G4V927_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession G4V927, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 526 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27	Very low	27.7	Very low	233 Å²	233	159.2 Å²	159.2	100%	1.148	82%	0.821	S	S	*	*				0	116.6	0	-79.5	173.4	165.3	0	0	107.8
2	T	22.7	Very low	27.8	Very low	129 Å²	129	153.5 Å²	153.5	79%	0.791	79%	0.788	S	S	*	*			trans	-109.6	105.3	173.6	-46.3	0	0	0	0	106.4	H4	T2-H4 PolarHBondContact O-N 2.68Å
3	I	26.7	Very low	28.1	Very low	146 Å²	146	154.1 Å²	154.1	75%	0.749	79%	0.793	S	S	*	*			trans	-84.9	100.5	-179.3	-56.6	176.6	0	0	0	107.6	C5	I3-C5 PolarHBondContact O-N 3.37Å
4	H	25.9	Very low	28.3	Very low	170 Å²	170	152 Å²	152	79%	0.787	78%	0.783	S	S	*	*			trans	-81.3	103.8	163.1	-93.2	-80.4	0	0	0	108.6	T2 Q6	T2-H4 PolarHBondContact O-N 2.68Å; H4-Q6 PolarHBondContact O-N 3.21Å
5	C	30	Very low	28.3	Very low	118 Å²	118	148.8 Å²	148.8	80%	0.797	78%	0.776	S	S	*	*			trans	-76.6	107.8	162.9	-74.4	0	0	0	0	108.8	I3	I3-C5 PolarHBondContact O-N 3.37Å
6	Q	28	Very low	28.5	Very low	181 Å²	181	149.8 Å²	149.8	85%	0.846	78%	0.775	S	S	*	*			trans	-72.6	163	160.7	-76.5	179.2	-43.2	0	0	110.6	H4	H4-Q6 PolarHBondContact O-N 3.21Å
7	S	30.4	Very low	28.5	Very low	120 Å²	120	147 Å²	147	84%	0.839	76%	0.762	S	S	*	*			trans	-53.7	138.3	-170.1	-46.2	0	0	0	0	114.4
8	I	29.1	Very low	28.5	Very low	143 Å²	143	147.3 Å²	147.3	73%	0.733	76%	0.764	S	S	*	*			trans	-92	110	165.9	-60.2	173.6	0	0	0	107.4
9	E	26.5	Very low	28.5	Very low	153 Å²	153	148.2 Å²	148.2	72%	0.715	77%	0.769	S	S	*	*			trans	-75.6	134	167.3	-72.5	-171.2	133.5	0	0	110.3	N90	E9-N90 PolarHBondContact OE1-ND2 2.9Å; E9-N90 VanDerWaalsContact OE1-ND2 3.17Å
10	F	29.2	Very low	28.4	Very low	182 Å²	182	146.6 Å²	146.6	80%	0.798	77%	0.766	S	S	*	*			trans	-93.9	112.9	172.3	-111.1	-98.7	0	0	0	109.2	E12	F10-E12 PolarHBondContact O-N 2.92Å
11	Q	29.1	Very low	28.4	Very low	176 Å²	176	147.8 Å²	147.8	82%	0.822	77%	0.77	S	S	*	*			trans	-80.9	100.2	165.1	-78.8	-169.4	-28.6	0	0	110	N13	Q11-N13 PolarHBondContact O-N 3.4Å
12	E	28.5	Very low	28.4	Very low	91 Å²	91	143.6 Å²	143.6	43%	0.425	75%	0.752	S	S	.	*			trans	-67.2	106.7	165.5	-62.5	177.1	156	0	0	109.1	F10 S87 N89	F10-E12 PolarHBondContact O-N 2.92Å; E12-S87 VanDerWaalsContact OE1-CB 3.27Å; E12-S87 WeakPolarHBondContact OE1-CB 3.2Å; E12-S87 PolarHBondContact OE1-OG 3.02Å; E12-N89 PolarHBondContact OE2-ND2 2.97Å
13	N	32.5	Very low	28.7	Very low	161 Å²	161	143.3 Å²	143.3	86%	0.861	75%	0.75	S	S	*	*			trans	167.3	20.6	151.3	-89.4	-43.4	0	0	0	115.8	Q11	Q11-N13 PolarHBondContact O-N 3.4Å
14	L	30.6	Very low	28.7	Very low	125 Å²	125	141.9 Å²	141.9	65%	0.654	75%	0.748	S	S	*	*			trans	-122.7	121.2	173.2	-90.1	154.4	0	0	0	111.7	N17	L14-N17 WeakPolarHBondContact CB-OD1 3.26Å
15	P	28.4	Very low	28.8	Very low	104 Å²	104	139.1 Å²	139.1	68%	0.675	75%	0.745	S	S	*	*	S	Bend	trans	-73.7	130.9	167.9	30.7	-31.1	0	0	0	109.3
16	H	30.9	Very low	28.8	Very low	164 Å²	164	142.4 Å²	142.4	76%	0.759	75%	0.749	S	S	*	*	S	Bend	trans	70.1	76.9	-176.9	-44.3	-73.5	0	0	0	115.5
17	N	28.4	Very low	28.7	Very low	103 Å²	103	140.9 Å²	140.9	55%	0.551	75%	0.746	S	S	*	*			trans	-99.1	112.8	174.1	-76.1	-21.1	0	0	0	112.9	L14	L14-N17 WeakPolarHBondContact CB-OD1 3.26Å
18	L	29.5	Very low	28.7	Very low	152 Å²	152	142.4 Å²	142.4	80%	0.796	75%	0.751	S	S	*	*			trans	-58	136.6	152.6	-81.7	73.6	0	0	0	108.8	T20	L18-T20 PolarHBondContact O-N 2.94Å
19	L	28.3	Very low	28.8	Very low	164 Å²	164	139.1 Å²	139.1	86%	0.859	75%	0.752	S	S	*	*			trans	-81.3	103	163.7	-85.2	162.7	0	0	0	109.4
20	T	26.5	Very low	28.8	Very low	116 Å²	116	141.2 Å²	141.2	71%	0.712	76%	0.762	S	S	*	*			trans	-88.9	108.6	168.9	29.5	0	0	0	0	110.4	L18 N22	L18-T20 PolarHBondContact O-N 2.94Å; T20-N22 PolarHBondContact O-N 2.63Å
21	M	27.8	Very low	29	Very low	172 Å²	172	142.6 Å²	142.6	85%	0.847	77%	0.768	S	S	*	*			trans	-82.2	106.6	166	-91.3	-171.7	63.8	0	0	110.3	V23	M21-V23 HydrophobicContact CE-CG2 4.44Å
22	N	27.6	Very low	28.9	Very low	146 Å²	146	145.5 Å²	145.5	78%	0.781	77%	0.771	S	S	*	*			trans	-82.1	116.4	165.2	-76.2	-24.7	0	0	0	109.7	T20	T20-N22 PolarHBondContact O-N 2.63Å
23	V	28	Very low	29.1	Very low	122 Å²	122	148.5 Å²	148.5	74%	0.739	80%	0.796	S	S	*	*			trans	-94.7	106.1	169.1	179.9	0	0	0	0	108.3	M21	M21-V23 HydrophobicContact CE-CG2 4.44Å
24	V	26.6	Very low	28.8	Very low	116 Å²	116	145.7 Å²	145.7	70%	0.703	79%	0.788	S	S	*	*			trans	-93.1	122.8	174	-178.8	0	0	0	0	109.2	E26	V24-E26 PolarHBondContact O-N 3.34Å
25	P	29.2	Very low	28.8	Very low	113 Å²	113	151 Å²	151	73%	0.734	80%	0.799	S	S	*	*			trans	-90.4	98.5	176	33.3	-30.7	0	0	0	111.2	N27	P25-N27 PolarHBondContact O-N 3.33Å
26	E	29.1	Very low	28.9	Very low	187 Å²	187	154.4 Å²	154.4	87%	0.874	81%	0.806	S	S	*	*			trans	-80.4	98.9	167.9	-76.8	-160.9	145.7	0	0	111.6	V24	V24-E26 PolarHBondContact O-N 3.34Å
27	N	27	Very low	29	Very low	149 Å²	149	151.9 Å²	151.9	80%	0.797	81%	0.807	S	S	*	*			trans	-87.4	124.9	153.2	-92.7	-37.3	0	0	0	108.7	P25	P25-N27 PolarHBondContact O-N 3.33Å
28	T	30.6	Very low	29.2	Very low	152 Å²	152	151.1 Å²	151.1	93%	0.933	81%	0.809	S	S	*	*			trans	171	154.2	138.3	29.5	0	0	0	0	110.3
29	G	30.4	Very low	29.4	Very low	74 Å²	74	153 Å²	153	76%	0.763	81%	0.814	S	S	*	*			trans	137.5	31.6	164.6	0	0	0	0	0	119	K31	G29-K31 PolarHBondContact O-N 2.96Å
30	Q	27.7	Very low	29.6	Very low	196 Å²	196	149.4 Å²	149.4	92%	0.916	80%	0.803	S	S	*	*			trans	-60.6	123.6	166.6	-74.3	174.6	-30.7	0	0	111
31	K	33.3	Very low	29.9	Very low	212 Å²	212	151 Å²	151	92%	0.922	81%	0.807	S	S	*	*			trans	-129.2	122	155.4	-93.5	-174.8	177.9	174.9	0	111.8	G29	G29-K31 PolarHBondContact O-N 2.96Å
32	R	26.3	Very low	30.2	Very low	237 Å²	237	146.5 Å²	146.5	89%	0.894	80%	0.797	S	S	*	*			trans	-67.3	149.5	-174	-58.4	158.4	169.2	163	-6	113.2
33	T	32.5	Very low	30.3	Very low	153 Å²	153	147 Å²	147	94%	0.939	80%	0.799	S	S	*	*				-134.7	155.5	128.7	46.3	0	0	0	0	108.8
34	C	25.5	Very low	30.5	Very low	103 Å²	103	149.4 Å²	149.4	70%	0.696	80%	0.803	S	S	*	*			trans	-142.7	143.6	-158.3	-178.7	0	0	0	0	112.9
35	R	30.9	Very low	30.6	Very low	235 Å²	235	149.6 Å²	149.6	89%	0.887	80%	0.804	S	S	*	*			trans	-179.8	108.2	153.8	-95.1	153.6	-171.4	-157.9	1.7	105.6
36	Q	30	Very low	30.4	Very low	177 Å²	177	151 Å²	151	83%	0.827	80%	0.804	S	S	*	*				47.4	129.5	81.3	-67.6	-176.2	-21.5	0	0	112.3
37	S	33.4	Very low	30.4	Very low	110 Å²	110	150.5 Å²	150.5	77%	0.769	81%	0.806	S	S	*	*			cis	-173.7	166.5	7.2	47.1	0	0	0	0	108.6
38	S	33.8	Very low	30.2	Very low	87 Å²	87	149.3 Å²	149.3	61%	0.608	80%	0.796	S	S	*	*			cis	-178.3	153.2	-6.2	39.9	0	0	0	0	110.9
39	Q	32	Very low	30.1	Very low	191 Å²	191	147.8 Å²	147.8	89%	0.893	79%	0.79	S	S	*	*			trans	68.3	151.6	157.9	-73.1	166.9	-38.9	0	0	117.9
40	S	32.9	Very low	29.9	Very low	89 Å²	89	151.3 Å²	151.3	62%	0.622	79%	0.785	S	S	*	*			cis	-154	175.7	8.8	55.4	0	0	0	0	113.6
41	D	33	Very low	30.1	Very low	150 Å²	150	148.2 Å²	148.2	80%	0.802	78%	0.775	S	S	*	*			trans	65.8	146.5	153	-48.5	-36.4	0	0	0	120.7
42	A	34.7	Very low	29.8	Very low	77 Å²	77	146.6 Å²	146.6	64%	0.636	77%	0.77	S	S	*	*			cis	-164.4	155.4	-19.7	0	0	0	0	0	109.4
43	D	30.5	Very low	29.8	Very low	156 Å²	156	138.5 Å²	138.5	83%	0.834	76%	0.76	S	S	*	*			trans	47.8	154	157.3	-56.3	-33.4	0	0	0	120.4
44	E	32	Very low	29.8	Very low	174 Å²	174	141 Å²	141	81%	0.813	76%	0.758	S	S	*	*			cis	-160.9	160.4	26.1	-152.1	179.6	-160.6	0	0	112.7
45	T	28.8	Very low	29.8	Very low	119 Å²	119	147.3 Å²	147.3	73%	0.73	77%	0.767	S	S	*	*			trans	75.5	118.1	157.3	-31.3	0	0	0	0	121.6
46	I	24.6	Very low	29.7	Very low	144 Å²	144	141.7 Å²	141.7	74%	0.738	76%	0.761	S	S	*	*			trans	-106.8	149.1	170.5	-68.4	162.3	0	0	0	109.5	E48	I46-E48 HydrophobicContact CG2-CG 4.4Å
47	L	28.7	Very low	29.5	Very low	175 Å²	175	141.9 Å²	141.9	92%	0.916	76%	0.759	S	S	*	*			trans	-147.2	92.9	150.9	-116	162	0	0	0	111.8
48	E	23.8	Very low	29.1	Very low	125 Å²	125	144.5 Å²	144.5	58%	0.584	76%	0.757	S	S	*	*			trans	-85.2	145.9	164.7	-72.7	-171.3	139.7	0	0	111.3	I46 K50	I46-E48 HydrophobicContact CG2-CG 4.4Å; E48-K50 WeakPolarHBondContact OE2-CE 3.48Å; E48-K50 IonicContact OE2-NZ 2.68Å; E48-K50 PolarHBondContact OE2-NZ 3.24Å
49	C	26.7	Very low	28.6	Very low	119 Å²	119	148.6 Å²	148.6	80%	0.804	77%	0.766	S	S	*	*			trans	-152.3	123	133	-90.8	0	0	0	0	106.5
50	K	27.4	Very low	28.2	Very low	148 Å²	148	145 Å²	145	64%	0.643	76%	0.762	S	S	*	*				58.8	131.4	62	-63.1	175.9	178.9	145.5	0	111.3	E48	E48-K50 WeakPolarHBondContact OE2-CE 3.48Å; E48-K50 IonicContact OE2-NZ 2.68Å; E48-K50 PolarHBondContact OE2-NZ 3.24Å
51	N	31.4	Very low	27.8	Very low	132 Å²	132	146.2 Å²	146.2	71%	0.706	77%	0.766	S	S	*	*			cis	-155.2	156.7	14.9	-130.4	17.4	0	0	0	114.4
52	E	26.1	Very low	27.4	Very low	178 Å²	178	146.9 Å²	146.9	83%	0.832	76%	0.764	S	S	*	*			trans	-15.3	151.4	158.5	-52	-179.5	145.1	0	0	121.5
53	G	26.9	Very low	26.8	Very low	66 Å²	66	151.1 Å²	151.1	68%	0.68	77%	0.77	S	S	*	*				145.1	132.4	127.4	0	0	0	0	0	119.4
54	K	31.8	Very low	26.5	Very low	206 Å²	206	150 Å²	150	90%	0.896	76%	0.763	S	S	*	*			trans	80.4	143.7	167.1	-51.7	164.9	-177	171.3	0	116.8
55	R	26.9	Very low	26	Very low	236 Å²	236	147.8 Å²	147.8	89%	0.891	76%	0.762	S	S	*	*			cis	-168	156.9	-32.5	-121.1	-177.2	-176.9	-176.5	1.6	107.2
56	P	29.3	Very low	25.8	Very low	117 Å²	117	149.5 Å²	149.5	76%	0.76	77%	0.766	S	S	*	*			trans	-104.7	-169.6	-164.6	40.8	-36	0	0	0	115.9
57	K	24.3	Very low	25.7	Very low	181 Å²	181	147.3 Å²	147.3	79%	0.787	76%	0.763	S	S	*	*			trans	99.5	145.7	-175.1	-59.7	177.9	176.1	-167.4	0	112.9
58	F	25.6	Very low	25.4	Very low	164 Å²	164	145.2 Å²	145.2	72%	0.719	75%	0.753	S	S	*	*			cis	-129.6	141.5	11.1	-79	-98.7	0	0	0	109.5
59	E	22.5	Very low	25.4	Very low	173 Å²	173	148.1 Å²	148.1	81%	0.808	77%	0.767	S	S	*	*				50.8	104.8	84.4	-81.4	178.6	173.7	0	0	115.8
60	S	25	Very low	25.2	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	77%	0.771	S	S	*	*			trans	-139.6	120	140.1	65.1	0	0	0	0	110.7
61	V	23	Very low	25	Very low	116 Å²	116	151 Å²	151	70%	0.703	78%	0.783	S	S	*	*			trans	-83.5	131	172	169.1	0	0	0	0	108.3
62	H	24.6	Very low	24.6	Very low	164 Å²	164	149 Å²	149	76%	0.759	78%	0.78	S	S	*	*			trans	-133.7	82.8	154.5	-94.9	-69	0	0	0	110.4	L64	H62-L64 PolarHBondContact O-N 3.47Å
63	H	22.7	Very low	24.7	Very low	166 Å²	166	145.7 Å²	145.7	77%	0.769	77%	0.772	S	S	*	*			trans	-66.7	114.5	148.5	-97.4	-85.5	0	0	0	107.6
64	L	23.9	Very low	24.8	Very low	131 Å²	131	146.1 Å²	146.1	69%	0.686	76%	0.762	S	S	*	*			trans	-128.1	87.9	165.1	-96.7	167.3	0	0	0	109.5	H62 L66	H62-L64 PolarHBondContact O-N 3.47Å; L64-L66 PolarHBondContact O-N 3.23Å
65	T	21.9	Very low	24.6	Very low	128 Å²	128	144.5 Å²	144.5	79%	0.785	76%	0.762	S	S	*	*			trans	-74.5	95.8	167.2	-52.5	0	0	0	0	108.7
66	L	24.9	Very low	24.5	Very low	155 Å²	155	139.4 Å²	139.4	81%	0.812	75%	0.753	S	S	*	*			trans	-141.4	102.9	166.2	-98.3	167.7	0	0	0	109.3	L64	L64-L66 PolarHBondContact O-N 3.23Å
67	S	22.4	Very low	24.4	Very low	98 Å²	98	139 Å²	139	69%	0.685	74%	0.743	S	S	*	*			trans	-79.4	148.4	179.5	51.6	0	0	0	0	112.5
68	N	23.4	Very low	24.6	Very low	132 Å²	132	137.6 Å²	137.6	71%	0.706	74%	0.744	S	S	*	*	S	Bend	trans	75.7	143.3	173.9	-58.8	-33.5	0	0	0	117.2
69	Q	23.1	Very low	24.4	Very low	185 Å²	185	134.2 Å²	134.2	86%	0.864	74%	0.74	S	S	*	*	S	Bend	trans	75.5	77.7	169.2	-52.6	-175.3	3	0	0	117.6
70	M	22.6	Very low	24.5	Very low	182 Å²	182	131 Å²	131	90%	0.897	73%	0.734	S	S	*	*				174.4	68.3	126.5	-93.4	-174.5	-172.6	0	0	111.2
71	T	23	Very low	24.6	Very low	147 Å²	147	131.6 Å²	131.6	90%	0.902	73%	0.727	S	S	*	*			trans	-99.4	96.1	167.9	50	0	0	0	0	109
72	S	23.6	Very low	24.7	Very low	90 Å²	90	129.4 Å²	129.4	63%	0.629	72%	0.721	S	S	*	*			trans	-150.6	127.9	-178.2	58.6	0	0	0	0	113.3
73	T	28.3	Very low	24.8	Very low	108 Å²	108	124.1 Å²	124.1	66%	0.663	70%	0.7	S	S	*	*	S	Bend	trans	79.7	134.8	164.4	76	0	0	0	0	117.4
74	P	27.1	Very low	24.9	Very low	75 Å²	75	123 Å²	123	49%	0.487	70%	0.7	S	S	.	*	S	Bend		-136.1	105	-62	28	-8.9	0	0	0	113.3	I77	P74-I77 HydrophobicContact CB-CB 3.86Å; P74-I77 HydrophobicContact CB-CD1 3.52Å; P74-I77 HydrophobicContact CB-CG1 3.52Å; P74-I77 HydrophobicContact CG-CB 4.49Å; P74-I77 HydrophobicContact CG-CD1 3.83Å; P74-I77 HydrophobicContact CG-CG1 4.31Å
75	L	27.9	Very low	25.1	Very low	171 Å²	171	121 Å²	121	90%	0.895	68%	0.684	S	S	*	*	S	Bend	trans	-78.7	-11.3	146.2	-114.3	74	0	0	0	111.5
76	D	26.3	Very low	25.3	Very low	129 Å²	129	119.8 Å²	119.8	69%	0.69	68%	0.678	S	S	*	*	S	Bend	trans	-97.6	8.9	-171	-51	-61.4	0	0	0	115.2
77	I	27.1	Very low	25.5	Very low	108 Å²	108	115.8 Å²	115.8	55%	0.554	66%	0.663	S	S	*	*	S	Bend	trans	-101.6	-9.5	178	-66.9	178.9	0	0	0	112.9	P74 S79 F338	P74-I77 HydrophobicContact CB-CB 3.86Å; P74-I77 HydrophobicContact CB-CD1 3.52Å; P74-I77 HydrophobicContact CB-CG1 3.52Å; P74-I77 HydrophobicContact CG-CB 4.49Å; P74-I77 HydrophobicContact CG-CD1 3.83Å; P74-I77 HydrophobicContact CG-CG1 4.31Å; I77-S79 PolarHBondContact O-N 3.47Å; I77-F338 HydrophobicContact CD1-CE1 4.45Å
78	L	26.8	Very low	25.8	Very low	153 Å²	153	118.8 Å²	118.8	80%	0.801	67%	0.666	S	S	*	*	S	Bend	trans	-90.9	70.4	147	-69.1	179.9	0	0	0	107.4	P80	L78-P80 WeakPolarHBondContact O-CD 3.3Å
79	S	23.1	Very low	26	Very low	92 Å²	92	117.9 Å²	117.9	64%	0.643	66%	0.661	S	S	*	*			trans	-43.5	121.4	169.7	-57.8	0	0	0	0	107.6	I77 I81	I77-S79 PolarHBondContact O-N 3.47Å; S79-I81 PolarHBondContact O-N 3.43Å
80	P	24.4	Very low	26.2	Very low	106 Å²	106	115.4 Å²	115.4	69%	0.688	65%	0.654	S	S	*	*			trans	-53.7	137.3	170.1	-18.8	29.3	0	0	0	106.5	L78 A82	L78-P80 WeakPolarHBondContact O-CD 3.3Å; P80-A82 HydrophobicContact CB-CB 4.5Å; P80-A82 PolarHBondContact O-N 3.5Å
81	I	27.3	Very low	26.6	Very low	128 Å²	128	115.5 Å²	115.5	66%	0.656	65%	0.652	S	S	*	*			trans	-60.3	99.8	139.5	-63.1	178.2	0	0	0	102.3	S79 V83	S79-I81 PolarHBondContact O-N 3.43Å; I81-V83 HydrophobicContact CG2-CG2 3.95Å; I81-V83 PolarHBondContact O-N 3.36Å
82	A	24	Very low	26.7	Very low	69 Å²	69	113.5 Å²	113.5	57%	0.57	65%	0.651	S	S	*	*			trans	-69.8	77.7	179.1	0	0	0	0	0	106.6	P80 N84	P80-A82 HydrophobicContact CB-CB 4.5Å; P80-A82 PolarHBondContact O-N 3.5Å; A82-N84 PolarHBondContact O-N 2.7Å
83	V	27.5	Very low	26.9	Very low	53 Å²	53	114.9 Å²	114.9	32%	0.321	66%	0.66	S	S	.	*			trans	-67.9	87.4	159.4	-171.4	0	0	0	0	103.8	I81 Y85	I81-V83 HydrophobicContact CG2-CG2 3.95Å; I81-V83 PolarHBondContact O-N 3.36Å; V83-Y85 HydrophobicContact CB-CD2 4.22Å; V83-Y85 HydrophobicContact CB-CE2 3.75Å; V83-Y85 HydrophobicContact CG1-CD1 4.48Å; V83-Y85 HydrophobicContact CG1-CD2 3.91Å; V83-Y85 HydrophobicContact CG1-CE1 4.08Å; V83-Y85 HydrophobicContact CG1-CE2 3.43Å; V83-Y85 VanDerWaalsContact CG1-CE2 3.43Å; V83-Y85 HydrophobicContact CG1-CG 4.41Å; V83-Y85 WeakPolarHBondContact O-CD2 3.23Å; V83-Y85 PolarHBondContact O-N 2.92Å
84	N	25.3	Very low	26.7	Very low	144 Å²	144	117.4 Å²	117.4	77%	0.77	67%	0.67	S	S	*	*			trans	-64.1	84.7	169.8	-79.5	-2	0	0	0	106.9	A82 P86	A82-N84 PolarHBondContact O-N 2.7Å; N84-P86 WeakPolarHBondContact O-CD 3.3Å
85	Y	27.6	Very low	26.7	Very low	89 Å²	89	121.1 Å²	121.1	35%	0.349	69%	0.686	S	S	.	*			trans	-63.9	119.7	158.9	-65.6	-81.8	0	0	0	105.9	V83 S87 K210	V83-Y85 HydrophobicContact CB-CD2 4.22Å; V83-Y85 HydrophobicContact CB-CE2 3.75Å; V83-Y85 HydrophobicContact CG1-CD1 4.48Å; V83-Y85 HydrophobicContact CG1-CD2 3.91Å; V83-Y85 HydrophobicContact CG1-CE1 4.08Å; V83-Y85 HydrophobicContact CG1-CE2 3.43Å; V83-Y85 VanDerWaalsContact CG1-CE2 3.43Å; V83-Y85 HydrophobicContact CG1-CG 4.41Å; V83-Y85 WeakPolarHBondContact O-CD2 3.23Å; V83-Y85 PolarHBondContact O-N 2.92Å; Y85-S87 PolarHBondContact O-N 3.39Å; Y85-K210 HydrophobicContact CE1-CD 4.49Å
86	P	25.1	Very low	26.8	Very low	101 Å²	101	117.9 Å²	117.9	66%	0.656	68%	0.675	S	S	*	*			trans	-61.2	123.5	-179.1	22.3	-31.1	0	0	0	109.7	N84 E88	N84-P86 WeakPolarHBondContact O-CD 3.3Å; P86-E88 PolarHBondContact O-N 3.05Å
87	S	29	Very low	27.1	Very low	71 Å²	71	117.8 Å²	117.8	50%	0.497	68%	0.679	S	S	.	*			trans	-63.5	115.9	168.5	-18.6	0	0	0	0	108	E12 Y85 N89	E12-S87 VanDerWaalsContact OE1-CB 3.27Å; E12-S87 WeakPolarHBondContact OE1-CB 3.2Å; E12-S87 PolarHBondContact OE1-OG 3.02Å; Y85-S87 PolarHBondContact O-N 3.39Å; S87-N89 PolarHBondContact O-N 3.44Å
88	E	28.7	Very low	27.4	Very low	161 Å²	161	116.9 Å²	116.9	75%	0.752	68%	0.682	S	S	*	*			trans	-69.5	97.6	173.5	-70.3	-174.8	155	0	0	109.2	P86 N90	P86-E88 PolarHBondContact O-N 3.05Å; E88-N90 PolarHBondContact O-N 3.08Å
89	N	28.7	Very low	28.4	Very low	113 Å²	113	114.6 Å²	114.6	60%	0.604	68%	0.679	S	S	*	*			trans	-68.1	112.5	170.7	-92.3	-64.4	0	0	0	109.1	E12 S87 Q91	E12-N89 PolarHBondContact OE2-ND2 2.97Å; S87-N89 PolarHBondContact O-N 3.44Å; N89-Q91 PolarHBondContact O-N 3.43Å
90	N	27.4	Very low	30.6	Very low	133 Å²	133	115.5 Å²	115.5	71%	0.711	68%	0.677	S	S	*	*			trans	-59.4	88.4	-179.4	-89.7	-35.5	0	0	0	112.7	E9 E88	E9-N90 PolarHBondContact OE1-ND2 2.9Å; E9-N90 VanDerWaalsContact OE1-ND2 3.17Å; E88-N90 PolarHBondContact O-N 3.08Å
91	Q	29.6	Very low	33.2	Very low	184 Å²	184	111.7 Å²	111.7	86%	0.86	65%	0.65	S	S	*	*			trans	-137.9	92.6	162	-71.4	-164.1	-3.6	0	0	112.5	N89	N89-Q91 PolarHBondContact O-N 3.43Å
92	A	25.2	Very low	36.1	Very low	106 Å²	106	109.9 Å²	109.9	88%	0.876	64%	0.642	S	S	*	*			trans	37	87.3	146.2	0	0	0	0	0	119.3
93	S	27.7	Very low	39.3	Very low	118 Å²	118	111 Å²	111	83%	0.825	63%	0.634	S	S	*	*			trans	-159.4	147.1	131.3	51.6	0	0	0	0	111.2	N95	S93-N95 PolarHBondContact O-N 2.87Å
94	N	24.8	Very low	42.3	Very low	161 Å²	161	108.5 Å²	108.5	86%	0.861	62%	0.619	S	S	*	*			trans	-72.1	119	-174.1	-61.7	-48.5	0	0	0	111.8
95	N	27.2	Very low	45.6	Very low	153 Å²	153	105.4 Å²	105.4	82%	0.818	60%	0.602	S	S	*	*			trans	-160.9	136.4	144.7	-93.2	-31.2	0	0	0	109	S93	S93-N95 PolarHBondContact O-N 2.87Å
96	P	29.4	Very low	48.7	Very low	103 Å²	103	101.4 Å²	101.4	67%	0.669	59%	0.587	S	S	*	*			trans	-74.2	139.3	-179.3	30.6	-33.8	0	0	0	111.2	S98	P96-S98 VanDerWaalsContact C-N 3.26Å; P96-S98 PolarHBondContact O-N 3.43Å
97	V	32.7	Very low	51.9	Low	127 Å²	127	101.6 Å²	101.6	77%	0.77	58%	0.583	S	S	*	*	S	Bend	trans	-74	78	175.6	-176.2	0	0	0	0	109.6
98	S	33	Very low	54.9	Low	90 Å²	90	101.8 Å²	101.8	63%	0.629	58%	0.576	S	S	*	*			trans	-148.2	73.1	-177	66	0	0	0	0	113.1	P96	P96-S98 VanDerWaalsContact C-N 3.26Å; P96-S98 PolarHBondContact O-N 3.43Å
99	S	49.8	Very low	57.9	Low	104 Å²	104	94.1 Å²	94.1	73%	0.727	54%	0.54	S	S	*	.			trans	-155.6	-16.5	175.4	49.1	0	0	0	0	118.4
100	D	68.2	Low	60.9	Low	112 Å²	112	89 Å²	89	60%	0.599	51%	0.513	S	S	*	.			trans	-106.8	18.3	-152.9	-69.2	14.9	0	0	0	116.7
101	I	78.4	Confident	63.9	Low	26 Å²	26	86 Å²	86	13%	0.133	50%	0.503	C	S	.	.			trans	-111.8	117.4	171.1	-63.4	-179.6	0	0	0	109	F103 I195 H206 V222	I101-F103 HydrophobicContact CB-CE2 4.13Å; I101-F103 HydrophobicContact CB-CZ 4.39Å; I101-F103 HydrophobicContact CG2-CD2 4.4Å; I101-F103 HydrophobicContact CG2-CE1 4.42Å; I101-F103 HydrophobicContact CG2-CE2 3.96Å; I101-F103 HydrophobicContact CG2-CZ 3.98Å; I101-F103 WeakPolarHBondContact O-CD2 3.18Å; I101-F103 VanDerWaalsContact O-CE2 3.29Å; I101-F103 WeakPolarHBondContact O-CE2 3.47Å; I101-I195 HydrophobicContact CD1-CD1 4.35Å; I101-H206 HydrophobicContact CD1-CB 4.42Å; I101-V222 HydrophobicContact CG2-CB 4.1Å; I101-V222 HydrophobicContact CG2-CG2 3.51Å
102	N	88.8	Confident	66.6	Low	89 Å²	89	78.1 Å²	78.1	48%	0.476	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136.6	168.8	-70.3	-21.3	0	0	0	109.6	R221 V222	N102-R221 HydrophobicContact CB-CB 4.41Å; N102-R221 HydrophobicContact CB-CG 3.92Å; N102-R221 CarbonylContact O-C 3.17Å; N102-R221 VanDerWaalsContact O-CA 3.25Å; N102-R221 WeakPolarHBondContact O-CA 3.49Å; N102-V222 PolarHBondContact O-N 3.12Å
103	F	90.3	Very high	69.3	Low	92 Å²	92	74.6 Å²	74.6	40%	0.404	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	161.1	176	-69.8	-91.5	0	0	0	111.5	I101 I195 V222 K224	I101-F103 HydrophobicContact CB-CE2 4.13Å; I101-F103 HydrophobicContact CB-CZ 4.39Å; I101-F103 HydrophobicContact CG2-CD2 4.4Å; I101-F103 HydrophobicContact CG2-CE1 4.42Å; I101-F103 HydrophobicContact CG2-CE2 3.96Å; I101-F103 HydrophobicContact CG2-CZ 3.98Å; I101-F103 WeakPolarHBondContact O-CD2 3.18Å; I101-F103 VanDerWaalsContact O-CE2 3.29Å; I101-F103 WeakPolarHBondContact O-CE2 3.47Å; F103-I195 HydrophobicContact CE1-CD1 3.63Å; F103-I195 HydrophobicContact CZ-CD1 3.76Å; F103-V222 CarbonylContact C-O 3.57Å; F103-V222 VanDerWaalsContact CA-O 3.26Å; F103-V222 WeakPolarHBondContact CA-O 3.4Å; F103-V222 HydrophobicContact CD1-CB 4.25Å; F103-V222 HydrophobicContact CE1-CB 4.37Å; F103-K224 HydrophobicContact CD1-CB 4.27Å
104	I	92.1	Very high	72	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.005	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.1	167.4	-176	165	0	0	0	108.5	E108 L109 L112 I188 R221 V222 L223 K224	I104-E108 HydrophobicContact CD1-CB 4.05Å; I104-E108 HydrophobicContact CD1-CG 3.84Å; I104-E108 HydrophobicContact CG1-CB 3.77Å; I104-E108 HydrophobicContact CG1-CG 4Å; I104-L109 HydrophobicContact CD1-CB 4.19Å; I104-L109 HydrophobicContact CG1-CB 4.42Å; I104-L112 HydrophobicContact CD1-CD1 3.71Å; I104-I188 HydrophobicContact CD1-CD1 3.84Å; I104-I188 HydrophobicContact CD1-CG1 4.27Å; I104-I188 HydrophobicContact CG2-CG1 4.47Å; I104-I188 HydrophobicContact CG2-CG2 3.83Å; I104-R221 HydrophobicContact CB-CB 4.22Å; I104-R221 HydrophobicContact CG2-CB 4.18Å; I104-V222 PolarHBondContact N-O 3.41Å; I104-L223 HydrophobicContact CG2-CB 4.43Å; I104-K224 PolarHBondContact O-N 2.76Å
105	D	93	Very high	74.7	Confident	80 Å²	80	68 Å²	68	43%	0.428	40%	0.395	S	S	.	.			trans	-79.5	158	176.4	-64.8	-56.4	0	0	0	110.6	D107 E108 L109 K224	D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 3.4Å; D105-E108 PolarHBondContact O-N 3.04Å; D105-L109 PolarHBondContact O-N 3.39Å; D105-K224 WeakPolarHBondContact OD1-CD 3.43Å; D105-K224 IonicContact OD1-NZ 3.28Å; D105-K224 PolarHBondContact OD1-NZ 3.12Å
106	C	93	Very high	76.5	Confident	5 Å²	5	68.6 Å²	68.6	3%	0.034	40%	0.399	C	S	.	.	H	α-helix	trans	-54.8	-40.6	-175.8	-67.9	0	0	0	0	113.5	L109 A110 F230 Y234	C106-L109 PolarHBondContact O-N 3.27Å; C106-A110 WeakPolarHBondContact O-CB 3.44Å; C106-A110 PolarHBondContact O-N 2.7Å; C106-F230 HydrophobicContact CB-CD2 4Å; C106-F230 VanDerWaalsContact SG-CA 3.57Å; C106-Y234 HydrophobicContact CB-CD2 4.15Å; C106-Y234 HydrophobicContact CB-CE2 4.03Å
107	D	93	Very high	78.2	Confident	105 Å²	105	66 Å²	66	56%	0.561	38%	0.376	S	S	*	.	H	α-helix	trans	-66.7	-38.3	-177.7	-59.8	7.4	0	0	0	112.3	D105 A110 S111 Y234	D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 3.4Å; D107-A110 PolarHBondContact O-N 3.09Å; D107-S111 WeakPolarHBondContact O-CB 3.28Å; D107-S111 PolarHBondContact O-N 3.28Å; D107-Y234 PolarHBondContact OD1-OH 3.34Å
108	E	92.7	Very high	79.5	Confident	75 Å²	75	64.6 Å²	64.6	35%	0.35	37%	0.372	S	S	.	.	H	α-helix	trans	-67.9	-44.4	176.7	-171.6	-173.2	172.6	0	0	110.1	I104 D105 A110 S111 L112 R221	I104-E108 HydrophobicContact CD1-CB 4.05Å; I104-E108 HydrophobicContact CD1-CG 3.84Å; I104-E108 HydrophobicContact CG1-CB 3.77Å; I104-E108 HydrophobicContact CG1-CG 4Å; D105-E108 PolarHBondContact O-N 3.04Å; E108-A110 PolarHBondContact O-N 3.1Å; E108-S111 WeakPolarHBondContact O-CB 3.49Å; E108-S111 PolarHBondContact O-N 2.97Å; E108-L112 WeakPolarHBondContact O-CG 3.07Å; E108-L112 PolarHBondContact O-N 3.08Å; E108-R221 IonicContact OE1-CZ 2.68Å; E108-R221 IonicContact OE1-NH1 3.99Å; E108-R221 PolarHBondContact OE1-NH1 3.46Å; E108-R221 IonicContact OE2-NH1 2.81Å; E108-R221 PolarHBondContact OE2-NH1 3.44Å
109	L	91.9	Very high	80.7	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-41.1	174.7	170.9	58.4	0	0	0	112.1	I104 D105 C106 L112 L113 I126 I140 I188 L223 F230	I104-L109 HydrophobicContact CD1-CB 4.19Å; I104-L109 HydrophobicContact CG1-CB 4.42Å; D105-L109 PolarHBondContact O-N 3.39Å; C106-L109 PolarHBondContact O-N 3.27Å; L109-L112 PolarHBondContact O-N 2.85Å; L109-L113 HydrophobicContact CD1-CD1 3.86Å; L109-L113 HydrophobicContact CD1-CG 4.01Å; L109-L113 HydrophobicContact CG-CD1 4.03Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 2.99Å; L109-I126 HydrophobicContact CD1-CD1 3.79Å; L109-I126 HydrophobicContact CD1-CG1 4.41Å; L109-I140 HydrophobicContact CD2-CD1 3.78Å; L109-I188 HydrophobicContact CD1-CD1 3.64Å; L109-I188 HydrophobicContact CD1-CG2 4.36Å; L109-I188 HydrophobicContact CD2-CG2 4.38Å; L109-L223 HydrophobicContact CB-CD1 4.44Å; L109-L223 HydrophobicContact CD2-CD1 3.76Å; L109-L223 HydrophobicContact CD2-CD2 3.76Å; L109-L223 HydrophobicContact CD2-CG 4.29Å; L109-F230 HydrophobicContact CB-CE2 4.15Å; L109-F230 HydrophobicContact CD2-CD2 3.87Å; L109-F230 HydrophobicContact CD2-CE2 3.73Å; L109-F230 HydrophobicContact CD2-CZ 4.25Å; L109-F230 HydrophobicContact CG-CD2 4.31Å; L109-F230 HydrophobicContact CG-CE2 3.72Å; L109-F230 HydrophobicContact CG-CZ 4.23Å
110	A	90.7	Very high	81.3	Confident	5 Å²	5	62.2 Å²	62.2	4%	0.041	34%	0.339	C	S	.	.	H	α-helix	trans	-63.9	-39.8	176.5	0	0	0	0	0	112.4	C106 D107 E108 L113 T114 F230 Y234 L237	C106-A110 WeakPolarHBondContact O-CB 3.44Å; C106-A110 PolarHBondContact O-N 2.7Å; D107-A110 PolarHBondContact O-N 3.09Å; E108-A110 PolarHBondContact O-N 3.1Å; A110-L113 PolarHBondContact O-N 3.37Å; A110-T114 WeakPolarHBondContact O-CB 3.36Å; A110-T114 WeakPolarHBondContact O-CG2 3.46Å; A110-T114 PolarHBondContact O-N 2.89Å; A110-T114 PolarHBondContact O-OG1 3.5Å; A110-F230 HydrophobicContact CB-CE2 4.29Å; A110-Y234 HydrophobicContact CB-CD1 3.51Å; A110-Y234 HydrophobicContact CB-CD2 3.91Å; A110-Y234 HydrophobicContact CB-CE1 3.37Å; A110-Y234 HydrophobicContact CB-CE2 3.78Å; A110-Y234 HydrophobicContact CB-CG 3.78Å; A110-L237 HydrophobicContact CB-CD1 3.77Å
111	S	89.4	Confident	80.9	Confident	70 Å²	70	60 Å²	60	49%	0.49	33%	0.325	S	S	.	.	H	α-helix	trans	-63.3	-40.3	174	-172.8	0	0	0	0	112.2	D107 E108 T114 S115	D107-S111 WeakPolarHBondContact O-CB 3.28Å; D107-S111 PolarHBondContact O-N 3.28Å; E108-S111 WeakPolarHBondContact O-CB 3.49Å; E108-S111 PolarHBondContact O-N 2.97Å; S111-T114 PolarHBondContact O-N 3.44Å; S111-T114 PolarHBondContact O-OG1 3.06Å; S111-S115 WeakPolarHBondContact O-CB 3.45Å; S111-S115 PolarHBondContact O-N 3.47Å; S111-S115 VanDerWaalsContact O-N 3.11Å; S111-S115 PolarHBondContact O-OG 3.03Å
112	L	86.9	Confident	80.1	Confident	18 Å²	18	58.8 Å²	58.8	9%	0.094	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-45.6	174.3	-68.6	170.6	0	0	0	111.8	I104 E108 L109 T114 S115 Y117 P124 L186 I188	I104-L112 HydrophobicContact CD1-CD1 3.71Å; E108-L112 WeakPolarHBondContact O-CG 3.07Å; E108-L112 PolarHBondContact O-N 3.08Å; L109-L112 PolarHBondContact O-N 2.85Å; L112-T114 VanDerWaalsContact C-N 3.26Å; L112-T114 PolarHBondContact O-N 3.46Å; L112-S115 WeakPolarHBondContact O-CB 3.15Å; L112-S115 PolarHBondContact O-N 3.45Å; L112-Y117 WeakPolarHBondContact CD2-OH 3.35Å; L112-Y117 WeakPolarHBondContact O-CE2 3Å; L112-P124 HydrophobicContact CB-CG 4.36Å; L112-P124 HydrophobicContact CD1-CG 4.32Å; L112-P124 HydrophobicContact CD2-CG 4.21Å; L112-L186 HydrophobicContact CD1-CD2 3.59Å; L112-I188 HydrophobicContact CD1-CD1 3.82Å
113	L	83.3	Confident	79.1	Confident	33 Å²	33	56.3 Å²	56.3	17%	0.173	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-30.6	178.5	-80.7	167.5	0	0	0	113.6	L109 A110 I126 I140 F230 L237	L109-L113 HydrophobicContact CD1-CD1 3.86Å; L109-L113 HydrophobicContact CD1-CG 4.01Å; L109-L113 HydrophobicContact CG-CD1 4.03Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 2.99Å; A110-L113 PolarHBondContact O-N 3.37Å; L113-I126 HydrophobicContact CD1-CD1 4.32Å; L113-I126 HydrophobicContact CD2-CD1 3.56Å; L113-I126 HydrophobicContact CG-CD1 4.07Å; L113-I140 HydrophobicContact CD1-CG2 3.62Å; L113-F230 HydrophobicContact CD1-CZ 3.8Å; L113-L237 HydrophobicContact CB-CD1 4.21Å; L113-L237 HydrophobicContact CD1-CB 4.32Å; L113-L237 HydrophobicContact CD1-CD1 4.24Å
114	T	84.5	Confident	78.6	Confident	87 Å²	87	52.4 Å²	52.4	53%	0.534	29%	0.29	S	S	.	.	H	α-helix	trans	-91.8	-3.8	178.9	54	0	0	0	0	113.9	A110 S111 L112 L237	A110-T114 WeakPolarHBondContact O-CB 3.36Å; A110-T114 WeakPolarHBondContact O-CG2 3.46Å; A110-T114 PolarHBondContact O-N 2.89Å; A110-T114 PolarHBondContact O-OG1 3.5Å; S111-T114 PolarHBondContact O-N 3.44Å; S111-T114 PolarHBondContact O-OG1 3.06Å; L112-T114 VanDerWaalsContact C-N 3.26Å; L112-T114 PolarHBondContact O-N 3.46Å; T114-L237 HydrophobicContact CG2-CD1 4.35Å; T114-L237 HydrophobicContact CG2-CD2 4.15Å
115	S	80	Confident	78.3	Confident	52 Å²	52	52.6 Å²	52.6	36%	0.364	29%	0.291	S	S	.	.	S	Bend	trans	-74.3	141.5	-180	-76.1	0	0	0	0	113.5	S111 L112 Y117	S111-S115 WeakPolarHBondContact O-CB 3.45Å; S111-S115 PolarHBondContact O-N 3.47Å; S111-S115 VanDerWaalsContact O-N 3.11Å; S111-S115 PolarHBondContact O-OG 3.03Å; L112-S115 WeakPolarHBondContact O-CB 3.15Å; L112-S115 PolarHBondContact O-N 3.45Å; S115-Y117 VanDerWaalsContact O-CD2 3.22Å; S115-Y117 WeakPolarHBondContact O-CD2 3.25Å; S115-Y117 PolarHBondContact O-N 3.5Å
116	N	65.7	Low	78.1	Confident	166 Å²	166	49 Å²	49	89%	0.888	27%	0.271	S	S	*	.			trans	-79.4	81.9	-176.8	-78.2	-47.2	0	0	0	113.1
117	Y	65.6	Low	77.9	Confident	50 Å²	50	48.8 Å²	48.8	20%	0.196	27%	0.27	C	S	.	.			trans	-80.4	125.5	171.5	-63.3	-88.9	0	0	0	111.9	L112 S115 C119 L123 P124 P182	L112-Y117 WeakPolarHBondContact CD2-OH 3.35Å; L112-Y117 WeakPolarHBondContact O-CE2 3Å; S115-Y117 VanDerWaalsContact O-CD2 3.22Å; S115-Y117 WeakPolarHBondContact O-CD2 3.25Å; S115-Y117 PolarHBondContact O-N 3.5Å; Y117-C119 PolarHBondContact O-N 3.43Å; Y117-L123 HydrophobicContact CD2-CD2 3.3Å; Y117-L123 HydrophobicContact CD2-CG 3.94Å; Y117-L123 HydrophobicContact CE2-CD2 3.73Å; Y117-L123 HydrophobicContact CG-CD2 4.04Å; Y117-L123 HydrophobicContact CG-CG 4.18Å; Y117-P124 WeakPolarHBondContact OH-CD 3.48Å; Y117-P182 HydrophobicContact CD1-CB 4.13Å; Y117-P182 HydrophobicContact CE1-CB 4Å
118	S	58.4	Low	77.6	Confident	97 Å²	97	43.9 Å²	43.9	68%	0.678	24%	0.244	S	C	*	.	S	Bend	trans	-70.7	-12.7	177	68.3	0	0	0	0	114.3	Y180	S118-Y180 WeakPolarHBondContact CB-OH 3.21Å; S118-Y180 PolarHBondContact N-OH 3.32Å; S118-Y180 WeakPolarHBondContact OG-CE1 3.46Å; S118-Y180 PolarHBondContact OG-OH 3.09Å
119	C	60.1	Low	77.4	Confident	23 Å²	23	40.4 Å²	40.4	16%	0.155	23%	0.228	C	C	.	.	S	Bend	trans	-135.7	124.5	178.3	177.3	0	0	0	0	110.4	Y117 Q121 C122 H175	Y117-C119 PolarHBondContact O-N 3.43Å; C119-Q121 PolarHBondContact O-N 3.24Å; C119-Q121 PolarHBondContact SG-N 2.87Å; C119-Q121 VanDerWaalsContact SG-N 3.41Å; C119-C122 HydrophobicContact CB-CB 4.04Å; C119-C122 WeakPolarHBondContact O-CA 3.45Å; C119-C122 WeakPolarHBondContact O-CB 3.32Å; C119-C122 PolarHBondContact O-N 3.2Å; C119-H175 VanDerWaalsContact SG-CE1 3.51Å
120	K	61.4	Low	76.9	Confident	121 Å²	121	41.1 Å²	41.1	53%	0.526	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-61.4	-25	177.7	-65.5	-166.8	176.1	-168.9	0	113.9	C122 L123	K120-C122 VanDerWaalsContact C-N 3.29Å; K120-L123 HydrophobicContact CB-CD1 4.42Å
121	Q	60.1	Low	76	Confident	64 Å²	64	42.4 Å²	42.4	30%	0.299	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-80.9	-11	175.1	-63	-173.8	-0.3	0	0	112.7	C119 R168 C171 F172	C119-Q121 PolarHBondContact O-N 3.24Å; C119-Q121 PolarHBondContact SG-N 2.87Å; C119-Q121 VanDerWaalsContact SG-N 3.41Å; Q121-R168 VanDerWaalsContact O-CZ 3.24Å; Q121-R168 PolarHBondContact O-NE 3.09Å; Q121-R168 PolarHBondContact O-NH2 3.41Å; Q121-C171 PolarHBondContact OE1-SG 3.02Å; Q121-F172 WeakPolarHBondContact O-CE1 3.45Å
122	C	60.9	Low	75	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.014	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-96	-3.3	175.7	-62.9	0	0	0	0	114.2	C119 K120 Y180 P182	C119-C122 HydrophobicContact CB-CB 4.04Å; C119-C122 WeakPolarHBondContact O-CA 3.45Å; C119-C122 WeakPolarHBondContact O-CB 3.32Å; C119-C122 PolarHBondContact O-N 3.2Å; K120-C122 VanDerWaalsContact C-N 3.29Å; C122-Y180 HydrophobicContact CB-CE1 4.35Å; C122-P182 HydrophobicContact CB-CB 4.42Å; C122-P182 HydrophobicContact CB-CG 3.94Å
123	L	69.2	Low	74	Confident	37 Å²	37	45.3 Å²	45.3	19%	0.194	26%	0.257	C	S	.	.	S	Bend	trans	-59.4	142.9	164.8	-81.5	157.3	0	0	0	109.8	Y117 K120 L125 R168	Y117-L123 HydrophobicContact CD2-CD2 3.3Å; Y117-L123 HydrophobicContact CD2-CG 3.94Å; Y117-L123 HydrophobicContact CE2-CD2 3.73Å; Y117-L123 HydrophobicContact CG-CD2 4.04Å; Y117-L123 HydrophobicContact CG-CG 4.18Å; K120-L123 HydrophobicContact CB-CD1 4.42Å; L123-L125 PolarHBondContact O-N 3.19Å; L123-R168 PolarHBondContact O-NH2 3.01Å
124	P	78.6	Confident	73.4	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.058	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-48.4	139	167.4	-27.7	36.4	0	0	0	111.3	L112 Y117 I126 L186 I188	L112-P124 HydrophobicContact CB-CG 4.36Å; L112-P124 HydrophobicContact CD1-CG 4.32Å; L112-P124 HydrophobicContact CD2-CG 4.21Å; Y117-P124 WeakPolarHBondContact OH-CD 3.48Å; P124-I126 PolarHBondContact O-N 3.43Å; P124-L186 WeakPolarHBondContact CA-O 3.27Å; P124-L186 HydrophobicContact CB-CB 4.26Å; P124-L186 HydrophobicContact CB-CD2 4.1Å; P124-L186 HydrophobicContact CB-CG 4.11Å; P124-L186 HydrophobicContact CG-CD2 4.06Å; P124-I188 HydrophobicContact CB-CD1 4.1Å
125	L	85.5	Confident	73	Confident	5 Å²	5	41 Å²	41	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.2	177.6	-178.8	56.1	0	0	0	109.3	L123 L127 I144 Y164 L165 L186 I187 I188	L123-L125 PolarHBondContact O-N 3.19Å; L125-L127 HydrophobicContact CD1-CD2 4.08Å; L125-L127 HydrophobicContact CD2-CD2 3.81Å; L125-L127 HydrophobicContact CD2-CG 4.35Å; L125-L127 HydrophobicContact CG-CD2 3.7Å; L125-L127 HydrophobicContact CG-CG 4.17Å; L125-I144 HydrophobicContact CD1-CD1 3.68Å; L125-I144 HydrophobicContact CD1-CG1 4.01Å; L125-Y164 HydrophobicContact CD1-CE1 3.86Å; L125-Y164 HydrophobicContact CD2-CD1 4.26Å; L125-Y164 HydrophobicContact CD2-CE1 3.76Å; L125-Y164 HydrophobicContact CG-CE1 4.48Å; L125-L165 HydrophobicContact CD2-CD2 3.76Å; L125-L186 PolarHBondContact N-O 3.24Å; L125-I187 HydrophobicContact CB-CG1 4.07Å; L125-I187 HydrophobicContact CD2-CD1 3.91Å; L125-I187 HydrophobicContact CD2-CG1 4.37Å; L125-I187 CarbonylContact O-C 3.59Å; L125-I187 VanDerWaalsContact O-CA 3.31Å; L125-I187 WeakPolarHBondContact O-CA 3.27Å; L125-I188 PolarHBondContact O-N 3.22Å
126	I	88.5	Confident	72.4	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.9	174.7	-51.3	174.7	0	0	0	108.8	L109 L113 P124 I140 A143 I144 I188 Y190	L109-I126 HydrophobicContact CD1-CD1 3.79Å; L109-I126 HydrophobicContact CD1-CG1 4.41Å; L113-I126 HydrophobicContact CD1-CD1 4.32Å; L113-I126 HydrophobicContact CD2-CD1 3.56Å; L113-I126 HydrophobicContact CG-CD1 4.07Å; P124-I126 PolarHBondContact O-N 3.43Å; I126-I140 HydrophobicContact CD1-CG2 4.21Å; I126-A143 HydrophobicContact CB-CB 4.16Å; I126-A143 HydrophobicContact CG2-CB 3.83Å; I126-A143 WeakPolarHBondContact O-CA 3.46Å; I126-I144 PolarHBondContact O-N 2.77Å; I126-I188 CarbonylContact C-O 3.52Å; I126-I188 WeakPolarHBondContact CA-O 3.45Å; I126-I188 HydrophobicContact CG1-CB 4.42Å; I126-Y190 HydrophobicContact CG2-CD1 3.72Å; I126-Y190 HydrophobicContact CG2-CE1 3.57Å
127	L	89.4	Confident	72.5	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.5	-179.6	-60.3	-174	0	0	0	110.3	L125 I144 I146 L161 I187 I188 I189 Y190 L212	L125-L127 HydrophobicContact CD1-CD2 4.08Å; L125-L127 HydrophobicContact CD2-CD2 3.81Å; L125-L127 HydrophobicContact CD2-CG 4.35Å; L125-L127 HydrophobicContact CG-CD2 3.7Å; L125-L127 HydrophobicContact CG-CG 4.17Å; L127-I144 HydrophobicContact CD2-CB 4.21Å; L127-I146 HydrophobicContact CD1-CD1 4.18Å; L127-I146 HydrophobicContact CD2-CD1 3.59Å; L127-I146 HydrophobicContact CD2-CG1 4.33Å; L127-I146 HydrophobicContact CG-CD1 4.36Å; L127-L161 HydrophobicContact CD1-CD1 4.41Å; L127-L161 HydrophobicContact CD1-CD2 4.21Å; L127-L161 HydrophobicContact CD2-CD1 4.49Å; L127-I187 HydrophobicContact CD1-CG2 3.66Å; L127-I187 HydrophobicContact CG-CG2 3.84Å; L127-I188 PolarHBondContact N-O 3.36Å; L127-I189 HydrophobicContact CB-CG1 4.39Å; L127-I189 HydrophobicContact CD1-CG1 4.44Å; L127-I189 WeakPolarHBondContact O-CA 3.37Å; L127-Y190 PolarHBondContact O-N 2.89Å; L127-L212 HydrophobicContact CD1-CD1 4.3Å
128	D	87.4	Confident	73.1	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	104.5	174.1	-175.4	-13.7	0	0	0	108.8	R130 Q135 A143 I144 I146 Y190	D128-R130 WeakPolarHBondContact OD1-CB 3.25Å; D128-R130 VanDerWaalsContact OD1-CG 3.27Å; D128-R130 WeakPolarHBondContact OD1-CG 3.42Å; D128-R130 IonicContact OD1-CZ 3.68Å; D128-R130 PolarHBondContact OD1-N 3.33Å; D128-R130 IonicContact OD1-NE 3.82Å; D128-R130 PolarHBondContact OD1-NE 2.74Å; D128-R130 IonicContact OD1-NH2 3.76Å; D128-R130 IonicContact OD2-CZ 3.64Å; D128-R130 IonicContact OD2-NE 3.95Å; D128-R130 PolarHBondContact OD2-NE 2.89Å; D128-R130 IonicContact OD2-NH2 2.74Å; D128-R130 PolarHBondContact OD2-NH2 3.24Å; D128-Q135 PolarHBondContact O-NE2 3.5Å; D128-Q135 VanDerWaalsContact O-NE2 3.07Å; D128-Q135 WeakPolarHBondContact OD2-CG 3.35Å; D128-A143 HydrophobicContact CB-CB 4.28Å; D128-I144 PolarHBondContact N-O 3.43Å; D128-I146 PolarHBondContact O-N 3.39Å; D128-Y190 HydrophobicContact CB-CE1 3.75Å; D128-Y190 HydrophobicContact CB-CE2 4Å; D128-Y190 VanDerWaalsContact CB-CZ 3.46Å; D128-Y190 WeakPolarHBondContact CB-OH 3.35Å; D128-Y190 VanDerWaalsContact CG-CZ 3.42Å; D128-Y190 PolarHBondContact OD2-OH 2.92Å
129	I	87.2	Confident	74.4	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.015	18%	0.184	C	C	.	.			trans	-93.8	2.4	-174.9	61.1	159.8	0	0	0	114.2	I146 C148 I189 Y190 T191 L205 L208	I129-I146 WeakPolarHBondContact CA-O 3.13Å; I129-C148 PolarHBondContact O-N 2.99Å; I129-I189 HydrophobicContact CD1-CG2 3.9Å; I129-I189 HydrophobicContact CG1-CG2 3.91Å; I129-I189 HydrophobicContact CG2-CG2 3.84Å; I129-Y190 VanDerWaalsContact CG1-O 3.29Å; I129-Y190 WeakPolarHBondContact CG1-O 3.45Å; I129-Y190 PolarHBondContact N-O 2.69Å; I129-T191 HydrophobicContact CD1-CG2 3.71Å; I129-T191 HydrophobicContact CG1-CG2 3.86Å; I129-L205 HydrophobicContact CD1-CD1 3.95Å; I129-L208 HydrophobicContact CG2-CD2 3.88Å
130	R	82.4	Confident	75.7	Confident	14 Å²	14	32.2 Å²	32.2	5%	0.053	18%	0.177	C	C	.	.	S	Bend	trans	-69.3	173.5	-174.5	-55.1	173.6	-53.9	136.7	-3	112	D128 S134 Q135 L138 P147 D192	D128-R130 WeakPolarHBondContact OD1-CB 3.25Å; D128-R130 VanDerWaalsContact OD1-CG 3.27Å; D128-R130 WeakPolarHBondContact OD1-CG 3.42Å; D128-R130 IonicContact OD1-CZ 3.68Å; D128-R130 PolarHBondContact OD1-N 3.33Å; D128-R130 IonicContact OD1-NE 3.82Å; D128-R130 PolarHBondContact OD1-NE 2.74Å; D128-R130 IonicContact OD1-NH2 3.76Å; D128-R130 IonicContact OD2-CZ 3.64Å; D128-R130 IonicContact OD2-NE 3.95Å; D128-R130 PolarHBondContact OD2-NE 2.89Å; D128-R130 IonicContact OD2-NH2 2.74Å; D128-R130 PolarHBondContact OD2-NH2 3.24Å; R130-S134 PolarHBondContact NH1-O 2.89Å; R130-S134 PolarHBondContact NH2-O 3.46Å; R130-Q135 PolarHBondContact O-NE2 3.01Å; R130-L138 PolarHBondContact NH1-O 3.41Å; R130-L138 PolarHBondContact NH2-O 2.83Å; R130-P147 WeakPolarHBondContact O-CA 3.43Å; R130-D192 VanDerWaalsContact CD-N 3.31Å; R130-D192 WeakPolarHBondContact CD-OD1 3.34Å; R130-D192 IonicContact CZ-OD1 3.1Å; R130-D192 IonicContact NE-OD1 3.49Å; R130-D192 IonicContact NH1-OD1 3.32Å; R130-D192 PolarHBondContact NH1-OD1 2.6Å
131	S	71.8	Confident	76.6	Confident	33 Å²	33	29.6 Å²	29.6	23%	0.231	17%	0.166	C	C	.	.			trans	-58.1	149	175.8	84.6	0	0	0	0	111.4	A133 S134 Q135	S131-A133 PolarHBondContact O-N 3.4Å; S131-A133 VanDerWaalsContact O-N 3.08Å; S131-S134 WeakPolarHBondContact O-CA 3.28Å; S131-S134 WeakPolarHBondContact O-CB 3.4Å; S131-S134 PolarHBondContact O-N 3.29Å; S131-S134 PolarHBondContact OG-N 3.21Å; S131-S134 VanDerWaalsContact OG-N 3.09Å; S131-S134 PolarHBondContact OG-OG 3.31Å; S131-Q135 WeakPolarHBondContact O-CG 3.37Å; S131-Q135 PolarHBondContact O-N 3.03Å
132	L	68.7	Low	77.3	Confident	85 Å²	85	30.2 Å²	30.2	45%	0.445	18%	0.175	S	C	.	.	H	α-helix	trans	-56.7	-29.7	179.1	-175.4	64.2	0	0	0	112.6	A136 P147 P298	L132-A136 WeakPolarHBondContact O-CB 3.49Å; L132-A136 PolarHBondContact O-N 2.83Å; L132-P147 HydrophobicContact CB-CB 4.48Å; L132-P298 HydrophobicContact CD1-CG 4.3Å
133	A	64.9	Low	78.4	Confident	63 Å²	63	30.2 Å²	30.2	52%	0.521	18%	0.175	S	C	.	.	H	α-helix	trans	-69.8	-43.4	173.4	0	0	0	0	0	112.2	S131 A136 N137	S131-A133 PolarHBondContact O-N 3.4Å; S131-A133 VanDerWaalsContact O-N 3.08Å; A133-A136 PolarHBondContact O-N 2.9Å; A133-N137 VanDerWaalsContact O-CG 3.28Å; A133-N137 PolarHBondContact O-N 2.91Å; A133-N137 PolarHBondContact O-ND2 3.23Å
134	S	71.2	Confident	78.8	Confident	21 Å²	21	29 Å²	29	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-45.3	173.2	-49.5	0	0	0	0	111.3	R130 S131 A136 N137 L138 D192	R130-S134 PolarHBondContact NH1-O 2.89Å; R130-S134 PolarHBondContact NH2-O 3.46Å; S131-S134 WeakPolarHBondContact O-CA 3.28Å; S131-S134 WeakPolarHBondContact O-CB 3.4Å; S131-S134 PolarHBondContact O-N 3.29Å; S131-S134 PolarHBondContact OG-N 3.21Å; S131-S134 VanDerWaalsContact OG-N 3.09Å; S131-S134 PolarHBondContact OG-OG 3.31Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.25Å; S134-N137 PolarHBondContact O-N 3.19Å; S134-L138 PolarHBondContact O-N 3.02Å; S134-L138 VanDerWaalsContact O-O 3.13Å; S134-D192 WeakPolarHBondContact CB-OD1 3.42Å; S134-D192 WeakPolarHBondContact CB-OD2 3.43Å; S134-D192 PolarHBondContact OG-OD1 3Å; S134-D192 PolarHBondContact OG-OD2 2.78Å
135	Q	77.2	Confident	78.8	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-40	176.9	-64.5	-177.7	9.7	0	0	112.5	D128 R130 S131	D128-Q135 PolarHBondContact O-NE2 3.5Å; D128-Q135 VanDerWaalsContact O-NE2 3.07Å; D128-Q135 WeakPolarHBondContact OD2-CG 3.35Å; R130-Q135 PolarHBondContact O-NE2 3.01Å; S131-Q135 WeakPolarHBondContact O-CG 3.37Å; S131-Q135 PolarHBondContact O-N 3.03Å
136	A	66.9	Low	78.4	Confident	24 Å²	24	28.7 Å²	28.7	20%	0.198	17%	0.167	C	C	.	.	H	α-helix	trans	-66.9	-47.4	176	0	0	0	0	0	111.3	L132 A133 S134 L138 P241 K359	L132-A136 WeakPolarHBondContact O-CB 3.49Å; L132-A136 PolarHBondContact O-N 2.83Å; A133-A136 PolarHBondContact O-N 2.9Å; S134-A136 VanDerWaalsContact C-N 3.33Å; S134-A136 PolarHBondContact O-N 3.25Å; A136-L138 PolarHBondContact O-N 3.42Å; A136-P241 WeakPolarHBondContact O-CG 3.43Å; A136-K359 HydrophobicContact CB-CG 4.44Å; A136-K359 WeakPolarHBondContact O-CE 3.12Å; A136-K359 PolarHBondContact O-NZ 3.34Å
137	N	68.2	Low	77.6	Confident	115 Å²	115	30 Å²	30	62%	0.615	18%	0.175	S	C	*	.	H	α-helix	trans	-64.2	-37.5	-170.5	-73.3	-17.3	0	0	0	114.7	A133 S134 P241	A133-N137 VanDerWaalsContact O-CG 3.28Å; A133-N137 PolarHBondContact O-N 2.91Å; A133-N137 PolarHBondContact O-ND2 3.23Å; S134-N137 PolarHBondContact O-N 3.19Å; N137-P241 WeakPolarHBondContact O-CD 3.26Å; N137-P241 WeakPolarHBondContact O-CG 3.22Å
138	L	77.8	Confident	76.8	Confident	33 Å²	33	30 Å²	30	17%	0.173	18%	0.175	C	C	.	.			trans	-166.5	137.5	178.5	-177.7	71.3	0	0	0	107.6	R130 S134 A136 I227 C231 C238 Q240	R130-L138 PolarHBondContact NH1-O 3.41Å; R130-L138 PolarHBondContact NH2-O 2.83Å; S134-L138 PolarHBondContact O-N 3.02Å; S134-L138 VanDerWaalsContact O-O 3.13Å; A136-L138 PolarHBondContact O-N 3.42Å; L138-I227 HydrophobicContact CD2-CD1 4.42Å; L138-I227 HydrophobicContact CG-CD1 4.27Å; L138-C231 HydrophobicContact CD2-CB 3.79Å; L138-C238 HydrophobicContact CD1-CB 3.74Å; L138-C238 HydrophobicContact CG-CB 4.26Å; L138-Q240 HydrophobicContact CD1-CG 3.77Å
139	R	85.5	Confident	75.8	Confident	33 Å²	33	34.4 Å²	34.4	13%	0.125	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	158.3	173	67.9	178.9	-170.4	161.6	4.5	111.9	A143 C238 E239 P298	R139-A143 PolarHBondContact NH1-O 2.79Å; R139-A143 VanDerWaalsContact NH1-O 3.09Å; R139-C238 CarbonylContact O-C 3.47Å; R139-C238 VanDerWaalsContact O-CA 3.22Å; R139-C238 WeakPolarHBondContact O-CA 3.24Å; R139-C238 WeakPolarHBondContact O-CB 3.17Å; R139-E239 HydrophobicContact CG-CB 4.03Å; R139-E239 IonicContact CZ-OE2 3.84Å; R139-E239 PolarHBondContact N-O 2.91Å; R139-E239 IonicContact NE-OE2 3.91Å; R139-E239 PolarHBondContact NE-OE2 3.36Å; R139-E239 IonicContact NH2-OE1 2.79Å; R139-E239 IonicContact NH2-OE2 3.4Å; R139-E239 PolarHBondContact NH2-OE2 2.7Å; R139-E239 PolarHBondContact O-N 2.71Å; R139-P298 PolarHBondContact NH1-O 3.35Å
140	I	86.7	Confident	74.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140.5	170.2	-56.7	-176.5	0	0	0	109.2	L109 L113 I126 A143 Y190 L223 I227 F230	L109-I140 HydrophobicContact CD2-CD1 3.78Å; L113-I140 HydrophobicContact CD1-CG2 3.62Å; I126-I140 HydrophobicContact CD1-CG2 4.21Å; I140-A143 HydrophobicContact CB-CB 4.42Å; I140-A143 WeakPolarHBondContact O-CB 3.44Å; I140-A143 PolarHBondContact O-N 3.37Å; I140-Y190 HydrophobicContact CB-CE1 3.99Å; I140-Y190 HydrophobicContact CD1-CD1 3.94Å; I140-Y190 HydrophobicContact CD1-CD2 4.41Å; I140-Y190 HydrophobicContact CD1-CE1 3.89Å; I140-Y190 HydrophobicContact CD1-CE2 4.36Å; I140-Y190 HydrophobicContact CD1-CG 4.17Å; I140-Y190 HydrophobicContact CG1-CE1 3.98Å; I140-Y190 HydrophobicContact CG1-CE2 4.24Å; I140-Y190 PolarHBondContact N-OH 3.36Å; I140-L223 HydrophobicContact CD1-CD2 3.5Å; I140-I227 HydrophobicContact CG1-CD1 4.09Å; I140-I227 HydrophobicContact CG1-CG1 4.05Å; I140-F230 HydrophobicContact CD1-CB 4.48Å; I140-F230 HydrophobicContact CD1-CD1 3.67Å; I140-F230 HydrophobicContact CD1-CE1 4.02Å; I140-F230 HydrophobicContact CD1-CG 4Å; I140-F230 HydrophobicContact CG1-CD1 3.79Å; I140-F230 HydrophobicContact CG1-CE1 3.97Å; I140-F230 HydrophobicContact CG2-CE1 3.95Å; I140-F230 HydrophobicContact CG2-CZ 4.32Å
141	Q	80.8	Confident	73.9	Confident	65 Å²	65	41.5 Å²	41.5	30%	0.304	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	141.2	179.4	-81.5	167.6	23	0	0	111.9	A143 H236 L237 C238 E239	Q141-A143 PolarHBondContact O-N 3.33Å; Q141-A143 VanDerWaalsContact O-N 3.08Å; Q141-H236 PolarHBondContact NE2-O 3.11Å; Q141-L237 VanDerWaalsContact CB-O 3.31Å; Q141-L237 WeakPolarHBondContact CB-O 3.45Å; Q141-L237 VanDerWaalsContact CG-O 3.25Å; Q141-L237 WeakPolarHBondContact CG-O 3.45Å; Q141-L237 PolarHBondContact N-O 3.46Å; Q141-C238 PolarHBondContact NE2-O 3.11Å; Q141-E239 WeakPolarHBondContact CA-OE1 3.34Å; Q141-E239 HydrophobicContact CB-CG 4.41Å; Q141-E239 HydrophobicContact CG-CG 3.6Å
142	T	75.2	Confident	73.3	Confident	78 Å²	78	43.5 Å²	43.5	48%	0.479	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	-1.1	-177.6	77	0	0	0	0	116.7	E239	T142-E239 PolarHBondContact N-OE1 3.26Å
143	A	82.7	Confident	73	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.008	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-64.9	135.7	180	0	0	0	0	0	112.8	I126 D128 R139 I140 Q141 Y190	I126-A143 HydrophobicContact CB-CB 4.16Å; I126-A143 HydrophobicContact CG2-CB 3.83Å; I126-A143 WeakPolarHBondContact O-CA 3.46Å; D128-A143 HydrophobicContact CB-CB 4.28Å; R139-A143 PolarHBondContact NH1-O 2.79Å; R139-A143 VanDerWaalsContact NH1-O 3.09Å; I140-A143 HydrophobicContact CB-CB 4.42Å; I140-A143 WeakPolarHBondContact O-CB 3.44Å; I140-A143 PolarHBondContact O-N 3.37Å; Q141-A143 PolarHBondContact O-N 3.33Å; Q141-A143 VanDerWaalsContact O-N 3.08Å; A143-Y190 HydrophobicContact CB-CE1 3.72Å; A143-Y190 WeakPolarHBondContact CB-OH 3.2Å
144	I	79.5	Confident	73.2	Confident	11 Å²	11	40.1 Å²	40.1	6%	0.056	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120	174.5	-58.5	-162.8	0	0	0	108.8	L125 I126 L127 D128 I146 Y164 L297 L300	L125-I144 HydrophobicContact CD1-CD1 3.68Å; L125-I144 HydrophobicContact CD1-CG1 4.01Å; I126-I144 PolarHBondContact O-N 2.77Å; L127-I144 HydrophobicContact CD2-CB 4.21Å; D128-I144 PolarHBondContact N-O 3.43Å; I144-I146 HydrophobicContact CG2-CG1 4.22Å; I144-I146 PolarHBondContact O-N 2.58Å; I144-Y164 HydrophobicContact CD1-CE1 4.08Å; I144-Y164 HydrophobicContact CD1-CE2 4.12Å; I144-L297 HydrophobicContact CG2-CD2 3.38Å; I144-L300 HydrophobicContact CD1-CD1 4.35Å
145	G	76.8	Confident	72.9	Confident	2 Å²	2	47.7 Å²	47.7	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	124.7	174.5	0	0	0	0	0	112.1	P298	G145-P298 PolarHBondContact N-O 2.86Å; G145-P298 WeakPolarHBondContact O-CD 3.43Å
146	I	78.7	Confident	72	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.036	26%	0.255	C	S	.	.			trans	-133	73.5	173.9	-56.9	-170.8	0	0	0	108	L127 D128 I129 I144 C148 A157 L161	L127-I146 HydrophobicContact CD1-CD1 4.18Å; L127-I146 HydrophobicContact CD2-CD1 3.59Å; L127-I146 HydrophobicContact CD2-CG1 4.33Å; L127-I146 HydrophobicContact CG-CD1 4.36Å; D128-I146 PolarHBondContact O-N 3.39Å; I129-I146 WeakPolarHBondContact CA-O 3.13Å; I144-I146 HydrophobicContact CG2-CG1 4.22Å; I144-I146 PolarHBondContact O-N 2.58Å; I146-C148 PolarHBondContact O-N 3.09Å; I146-C148 PolarHBondContact O-SG 3.37Å; I146-A157 HydrophobicContact CG2-CB 3.52Å; I146-L161 HydrophobicContact CD1-CB 4.42Å; I146-L161 HydrophobicContact CD1-CD1 3.85Å; I146-L161 HydrophobicContact CD1-CD2 4Å; I146-L161 HydrophobicContact CD1-CG 4.31Å
147	P	71	Confident	71.9	Confident	31 Å²	31	52.2 Å²	52.2	20%	0.201	25%	0.251	C	S	.	.			trans	-62.7	106.8	-169.6	24.7	-33.6	0	0	0	112	R130 L132	R130-P147 WeakPolarHBondContact O-CA 3.43Å; L132-P147 HydrophobicContact CB-CB 4.48Å
148	C	72.4	Confident	72	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.007	23%	0.227	C	C	.	.			trans	-130.3	77.6	-172.6	-70.7	0	0	0	0	111.1	I129 I146 S150 L154 L204	I129-C148 PolarHBondContact O-N 2.99Å; I146-C148 PolarHBondContact O-N 3.09Å; I146-C148 PolarHBondContact O-SG 3.37Å; C148-S150 VanDerWaalsContact C-N 3.27Å; C148-L154 HydrophobicContact CB-CB 4.43Å; C148-L204 HydrophobicContact CB-CD2 4.05Å; C148-L204 WeakPolarHBondContact O-CD2 3.45Å
149	E	66.4	Low	71.5	Confident	94 Å²	94	49.5 Å²	49.5	44%	0.439	24%	0.24	S	C	.	.	S	Bend	trans	-88	6.3	173.4	-43.3	92.1	127.8	0	0	112.1	K153	E149-K153 IonicContact OE1-NZ 2.71Å; E149-K153 PolarHBondContact OE1-NZ 3.17Å; E149-K153 WeakPolarHBondContact OE2-CD 3.46Å; E149-K153 VanDerWaalsContact OE2-CE 3.29Å; E149-K153 WeakPolarHBondContact OE2-CE 3.41Å; E149-K153 IonicContact OE2-NZ 2.69Å; E149-K153 PolarHBondContact OE2-NZ 3.44Å
150	S	63.4	Low	70.6	Confident	47 Å²	47	49.5 Å²	49.5	33%	0.329	24%	0.243	S	C	.	.	S	Bend	trans	-162.4	155.8	177.7	62.5	0	0	0	0	113.1	C148 V152 K153 L154 L204	C148-S150 VanDerWaalsContact C-N 3.27Å; S150-V152 PolarHBondContact O-N 3.22Å; S150-V152 VanDerWaalsContact O-N 3.09Å; S150-K153 PolarHBondContact O-N 2.7Å; S150-K153 PolarHBondContact OG-N 2.87Å; S150-L154 PolarHBondContact O-N 3.22Å; S150-L204 WeakPolarHBondContact O-CD1 3.38Å
151	R	65.8	Low	70	Confident	119 Å²	119	49.6 Å²	49.6	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-55.7	-27.9	175.4	-63.4	-174.2	-174.4	-171.4	4.1	112.5	R155 D203 L204	R151-R155 WeakPolarHBondContact O-CB 3.44Å; R151-R155 VanDerWaalsContact O-CG 3.3Å; R151-R155 WeakPolarHBondContact O-CG 3.38Å; R151-R155 PolarHBondContact O-N 2.68Å; R151-D203 IonicContact CZ-OD2 3.18Å; R151-D203 IonicContact NH2-OD2 2.8Å; R151-D203 PolarHBondContact NH2-OD2 3.45Å; R151-L204 HydrophobicContact CB-CD1 4.44Å; R151-L204 HydrophobicContact CG-CD1 4.12Å; R151-L204 VanDerWaalsContact N-CD1 3.31Å
152	V	59.8	Low	69.6	Low	76 Å²	76	47.1 Å²	47.1	46%	0.461	23%	0.233	S	C	.	.	H	α-helix	trans	-71.4	-43.4	176.3	-179.1	0	0	0	0	112	S150 R155 R156	S150-V152 PolarHBondContact O-N 3.22Å; S150-V152 VanDerWaalsContact O-N 3.09Å; V152-R155 PolarHBondContact O-N 2.96Å; V152-R156 PolarHBondContact O-N 3.3Å
153	K	62.9	Low	69.2	Low	67 Å²	67	47.7 Å²	47.7	29%	0.291	23%	0.233	S	C	.	.	H	α-helix	trans	-66.5	-42.8	175.3	-74.2	-175.4	176.7	-166.4	0	111.1	E149 S150 R155 R156 A157 F491	E149-K153 IonicContact OE1-NZ 2.71Å; E149-K153 PolarHBondContact OE1-NZ 3.17Å; E149-K153 WeakPolarHBondContact OE2-CD 3.46Å; E149-K153 VanDerWaalsContact OE2-CE 3.29Å; E149-K153 WeakPolarHBondContact OE2-CE 3.41Å; E149-K153 IonicContact OE2-NZ 2.69Å; E149-K153 PolarHBondContact OE2-NZ 3.44Å; S150-K153 PolarHBondContact O-N 2.7Å; S150-K153 PolarHBondContact OG-N 2.87Å; K153-R155 PolarHBondContact O-N 3.38Å; K153-R156 PolarHBondContact O-N 3.16Å; K153-A157 PolarHBondContact O-N 3.31Å; K153-F491 HydrophobicContact CG-CE2 4.3Å
154	L	68.6	Low	68.6	Low	10 Å²	10	49.6 Å²	49.6	5%	0.052	24%	0.24	C	C	.	.	H	α-helix	trans	-55	-50.8	173.2	175.9	61.3	0	0	0	111.8	C148 S150 R156 A157 L158 L204 C207 L208	C148-L154 HydrophobicContact CB-CB 4.43Å; S150-L154 PolarHBondContact O-N 3.22Å; L154-R156 PolarHBondContact O-N 2.92Å; L154-R156 VanDerWaalsContact O-N 3.13Å; L154-A157 PolarHBondContact O-N 3.3Å; L154-L158 HydrophobicContact CD1-CD1 4.34Å; L154-L158 HydrophobicContact CD1-CD2 4.02Å; L154-L158 HydrophobicContact CD1-CG 3.88Å; L154-L158 HydrophobicContact CG-CD1 4.18Å; L154-L158 HydrophobicContact CG-CG 4.18Å; L154-L158 WeakPolarHBondContact O-CG 3.33Å; L154-L158 PolarHBondContact O-N 2.87Å; L154-L204 HydrophobicContact CB-CD1 3.87Å; L154-L204 HydrophobicContact CD2-CD1 3.88Å; L154-L204 HydrophobicContact CD2-CG 4.15Å; L154-C207 HydrophobicContact CD2-CB 4.35Å; L154-L208 HydrophobicContact CD1-CB 4.12Å; L154-L208 HydrophobicContact CD1-CD1 3.9Å; L154-L208 HydrophobicContact CD1-CD2 4.45Å; L154-L208 HydrophobicContact CD1-CG 4.36Å; L154-L208 HydrophobicContact CD2-CB 4.2Å
155	R	64.6	Low	68.3	Low	180 Å²	180	49.8 Å²	49.8	68%	0.679	24%	0.241	S	C	*	.	H	α-helix	trans	-56.9	-28.6	176.7	-77.8	172.4	179.3	160.3	-1.4	114.3	R151 V152 K153 P159	R151-R155 WeakPolarHBondContact O-CB 3.44Å; R151-R155 VanDerWaalsContact O-CG 3.3Å; R151-R155 WeakPolarHBondContact O-CG 3.38Å; R151-R155 PolarHBondContact O-N 2.68Å; V152-R155 PolarHBondContact O-N 2.96Å; K153-R155 PolarHBondContact O-N 3.38Å; R155-P159 WeakPolarHBondContact O-CD 3.44Å
156	R	58.8	Low	68	Low	113 Å²	113	56.1 Å²	56.1	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-83.4	-32.5	175.3	-71	-179.3	172.7	130.3	-1.9	113.3	V152 K153 L154 F491	V152-R156 PolarHBondContact O-N 3.3Å; K153-R156 PolarHBondContact O-N 3.16Å; L154-R156 PolarHBondContact O-N 2.92Å; L154-R156 VanDerWaalsContact O-N 3.13Å; R156-F491 VanDerWaalsContact NH1-CD2 3.26Å
157	A	63.8	Low	67.4	Low	14 Å²	14	56.8 Å²	56.8	12%	0.116	27%	0.271	C	S	.	.	H	α-helix	trans	-75	-33.5	174.8	0	0	0	0	0	112.9	I146 K153 L154 V160 L161	I146-A157 HydrophobicContact CG2-CB 3.52Å; K153-A157 PolarHBondContact O-N 3.31Å; L154-A157 PolarHBondContact O-N 3.3Å; A157-V160 WeakPolarHBondContact O-CB 3.4Å; A157-V160 PolarHBondContact O-N 2.84Å; A157-L161 PolarHBondContact O-N 2.91Å
158	L	70.6	Confident	67.4	Low	21 Å²	21	56 Å²	56	11%	0.11	26%	0.264	C	S	.	.	H	α-helix	trans	-54.3	-45.5	-176.9	-80.2	178.7	0	0	0	114	L154 V160 L161 N162 L208	L154-L158 HydrophobicContact CD1-CD1 4.34Å; L154-L158 HydrophobicContact CD1-CD2 4.02Å; L154-L158 HydrophobicContact CD1-CG 3.88Å; L154-L158 HydrophobicContact CG-CD1 4.18Å; L154-L158 HydrophobicContact CG-CG 4.18Å; L154-L158 WeakPolarHBondContact O-CG 3.33Å; L154-L158 PolarHBondContact O-N 2.87Å; L158-V160 VanDerWaalsContact C-N 3.31Å; L158-V160 PolarHBondContact O-N 3.49Å; L158-L161 HydrophobicContact CD2-CD2 4.47Å; L158-L161 PolarHBondContact O-N 3.35Å; L158-N162 VanDerWaalsContact O-CB 3.27Å; L158-N162 WeakPolarHBondContact O-CB 3.27Å; L158-N162 PolarHBondContact O-N 3.36Å; L158-N162 PolarHBondContact O-ND2 3.17Å; L158-N162 PolarHBondContact O-OD1 3.5Å; L158-L208 HydrophobicContact CD2-CD1 4.17Å
159	P	68	Low	67.2	Low	69 Å²	69	60.9 Å²	60.9	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-58.2	-39.4	174	-27.6	35.4	0	0	0	113.9	R155 N163	R155-P159 WeakPolarHBondContact O-CD 3.44Å; P159-N163 VanDerWaalsContact O-CG 3.27Å; P159-N163 PolarHBondContact O-N 3.2Å; P159-N163 PolarHBondContact O-ND2 3.43Å
160	V	65.5	Low	67.2	Low	33 Å²	33	60.8 Å²	60.8	20%	0.2	29%	0.286	C	S	.	.	H	α-helix	trans	-69.3	-45.5	178.7	178.4	0	0	0	0	110.5	A157 L158 N163 Y164 L296 L297	A157-V160 WeakPolarHBondContact O-CB 3.4Å; A157-V160 PolarHBondContact O-N 2.84Å; L158-V160 VanDerWaalsContact C-N 3.31Å; L158-V160 PolarHBondContact O-N 3.49Å; V160-N163 PolarHBondContact O-N 2.93Å; V160-Y164 PolarHBondContact O-N 3.48Å; V160-L296 HydrophobicContact CG2-CD1 3.9Å; V160-L297 HydrophobicContact CG1-CD1 3.37Å; V160-L297 HydrophobicContact CG1-CD2 4.45Å; V160-L297 HydrophobicContact CG1-CG 3.94Å
161	L	74.2	Confident	67.2	Low	3 Å²	3	59.3 Å²	59.3	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-44	174.4	-179.1	55.6	0	0	0	111.5	L127 I146 A157 L158 N163 Y164 L165 L208 L212	L127-L161 HydrophobicContact CD1-CD1 4.41Å; L127-L161 HydrophobicContact CD1-CD2 4.21Å; L127-L161 HydrophobicContact CD2-CD1 4.49Å; I146-L161 HydrophobicContact CD1-CB 4.42Å; I146-L161 HydrophobicContact CD1-CD1 3.85Å; I146-L161 HydrophobicContact CD1-CD2 4Å; I146-L161 HydrophobicContact CD1-CG 4.31Å; A157-L161 PolarHBondContact O-N 2.91Å; L158-L161 HydrophobicContact CD2-CD2 4.47Å; L158-L161 PolarHBondContact O-N 3.35Å; L161-N163 VanDerWaalsContact C-N 3.31Å; L161-N163 PolarHBondContact O-N 3.18Å; L161-Y164 PolarHBondContact O-N 2.76Å; L161-L165 HydrophobicContact CD1-CD1 3.96Å; L161-L165 HydrophobicContact CD1-CD2 4.39Å; L161-L165 HydrophobicContact CD1-CG 3.94Å; L161-L165 HydrophobicContact CG-CD1 3.9Å; L161-L165 HydrophobicContact CG-CG 4.31Å; L161-L165 WeakPolarHBondContact O-CB 3.38Å; L161-L165 VanDerWaalsContact O-CG 3.27Å; L161-L165 WeakPolarHBondContact O-CG 3.3Å; L161-L165 PolarHBondContact O-N 3.39Å; L161-L208 HydrophobicContact CD2-CD1 4.14Å; L161-L212 HydrophobicContact CD2-CD2 4.09Å
162	N	72.4	Confident	67.2	Low	13 Å²	13	54.7 Å²	54.7	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-58.1	-43	176.1	-68.7	-16.2	0	0	0	111.5	L158 R166 H211 H216	L158-N162 VanDerWaalsContact O-CB 3.27Å; L158-N162 WeakPolarHBondContact O-CB 3.27Å; L158-N162 PolarHBondContact O-N 3.36Å; L158-N162 PolarHBondContact O-ND2 3.17Å; L158-N162 PolarHBondContact O-OD1 3.5Å; N162-R166 WeakPolarHBondContact O-CB 3.43Å; N162-R166 VanDerWaalsContact O-CG 3.28Å; N162-R166 WeakPolarHBondContact O-CG 3.26Å; N162-R166 PolarHBondContact O-N 3.45Å; N162-H211 PolarHBondContact OD1-NE2 3.46Å; N162-H216 PolarHBondContact OD1-CE1 3.32Å; N162-H216 PolarHBondContact OD1-NE2 3.28Å
163	N	68	Low	67.5	Low	90 Å²	90	55.4 Å²	55.4	48%	0.481	26%	0.26	S	S	.	.	H	α-helix	trans	-66.8	-42.2	177	-72.7	-18.1	0	0	0	111.9	P159 V160 L161 A167	P159-N163 VanDerWaalsContact O-CG 3.27Å; P159-N163 PolarHBondContact O-N 3.2Å; P159-N163 PolarHBondContact O-ND2 3.43Å; V160-N163 PolarHBondContact O-N 2.93Å; L161-N163 VanDerWaalsContact C-N 3.31Å; L161-N163 PolarHBondContact O-N 3.18Å; N163-A167 VanDerWaalsContact O-CB 3.3Å; N163-A167 WeakPolarHBondContact O-CB 3.48Å; N163-A167 PolarHBondContact O-N 2.95Å
164	Y	69.1	Low	67.6	Low	41 Å²	41	54.3 Å²	54.3	16%	0.161	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-46.1	175.1	174.9	-96.5	0	0	0	112.1	L125 I144 V160 L161 A167 R168 L300	L125-Y164 HydrophobicContact CD1-CE1 3.86Å; L125-Y164 HydrophobicContact CD2-CD1 4.26Å; L125-Y164 HydrophobicContact CD2-CE1 3.76Å; L125-Y164 HydrophobicContact CG-CE1 4.48Å; I144-Y164 HydrophobicContact CD1-CE1 4.08Å; I144-Y164 HydrophobicContact CD1-CE2 4.12Å; V160-Y164 PolarHBondContact O-N 3.48Å; L161-Y164 PolarHBondContact O-N 2.76Å; Y164-A167 PolarHBondContact O-N 3.27Å; Y164-R168 VanDerWaalsContact O-CB 3.31Å; Y164-R168 WeakPolarHBondContact O-CB 3.44Å; Y164-R168 PolarHBondContact O-N 2.97Å; Y164-L300 HydrophobicContact CD2-CD1 3.72Å; Y164-L300 HydrophobicContact CD2-CD2 4.48Å; Y164-L300 HydrophobicContact CE2-CD1 3.86Å; Y164-L300 HydrophobicContact CE2-CD2 3.95Å
165	L	73.5	Confident	67.4	Low	15 Å²	15	55.9 Å²	55.9	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-45.9	179.5	-68.8	175	0	0	0	111.8	L125 L161 A167 R168 E169 I187 L212 H216 L218	L125-L165 HydrophobicContact CD2-CD2 3.76Å; L161-L165 HydrophobicContact CD1-CD1 3.96Å; L161-L165 HydrophobicContact CD1-CD2 4.39Å; L161-L165 HydrophobicContact CD1-CG 3.94Å; L161-L165 HydrophobicContact CG-CD1 3.9Å; L161-L165 HydrophobicContact CG-CG 4.31Å; L161-L165 WeakPolarHBondContact O-CB 3.38Å; L161-L165 VanDerWaalsContact O-CG 3.27Å; L161-L165 WeakPolarHBondContact O-CG 3.3Å; L161-L165 PolarHBondContact O-N 3.39Å; L165-A167 PolarHBondContact O-N 3.29Å; L165-R168 WeakPolarHBondContact O-CB 3.35Å; L165-R168 PolarHBondContact O-N 3.29Å; L165-R168 VanDerWaalsContact O-N 3.15Å; L165-E169 PolarHBondContact O-N 3.37Å; L165-I187 HydrophobicContact CD1-CD1 4.48Å; L165-I187 HydrophobicContact CD2-CD1 3.98Å; L165-L212 HydrophobicContact CD1-CD2 3.68Å; L165-H216 HydrophobicContact CD1-CB 4.45Å; L165-L218 HydrophobicContact CD1-CD1 3.98Å; L165-L218 HydrophobicContact CD2-CD1 4Å
166	R	70.2	Confident	67.2	Low	135 Å²	135	51.9 Å²	51.9	51%	0.509	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-40.4	174.4	-73.6	172.3	177.1	172.2	-2.3	112.9	N162 R168 E169 Q170	N162-R166 WeakPolarHBondContact O-CB 3.43Å; N162-R166 VanDerWaalsContact O-CG 3.28Å; N162-R166 WeakPolarHBondContact O-CG 3.26Å; N162-R166 PolarHBondContact O-N 3.45Å; R166-R168 VanDerWaalsContact C-N 3.28Å; R166-R168 PolarHBondContact O-N 3.11Å; R166-E169 PolarHBondContact O-N 2.95Å; R166-Q170 PolarHBondContact O-N 3.15Å
167	A	65.9	Low	67	Low	20 Å²	20	54 Å²	54	17%	0.165	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-37.5	174.9	0	0	0	0	0	111.9	N163 Y164 L165 F290	N163-A167 VanDerWaalsContact O-CB 3.3Å; N163-A167 WeakPolarHBondContact O-CB 3.48Å; N163-A167 PolarHBondContact O-N 2.95Å; Y164-A167 PolarHBondContact O-N 3.27Å; L165-A167 PolarHBondContact O-N 3.29Å; A167-F290 HydrophobicContact CB-CD1 4.05Å; A167-F290 HydrophobicContact CB-CD2 4.29Å; A167-F290 HydrophobicContact CB-CE1 3.5Å; A167-F290 HydrophobicContact CB-CE2 3.77Å; A167-F290 HydrophobicContact CB-CG 4.42Å; A167-F290 HydrophobicContact CB-CZ 3.36Å
168	R	71.9	Confident	66.7	Low	16 Å²	16	61 Å²	61	6%	0.06	31%	0.306	C	S	.	.	H	α-helix	trans	-75.4	-34.9	179.3	-175.8	172.4	163.2	167.5	-14.7	112.9	Q121 L123 Y164 L165 R166 Q170 C171 F172	Q121-R168 VanDerWaalsContact O-CZ 3.24Å; Q121-R168 PolarHBondContact O-NE 3.09Å; Q121-R168 PolarHBondContact O-NH2 3.41Å; L123-R168 PolarHBondContact O-NH2 3.01Å; Y164-R168 VanDerWaalsContact O-CB 3.31Å; Y164-R168 WeakPolarHBondContact O-CB 3.44Å; Y164-R168 PolarHBondContact O-N 2.97Å; L165-R168 WeakPolarHBondContact O-CB 3.35Å; L165-R168 PolarHBondContact O-N 3.29Å; L165-R168 VanDerWaalsContact O-N 3.15Å; R166-R168 VanDerWaalsContact C-N 3.28Å; R166-R168 PolarHBondContact O-N 3.11Å; R168-Q170 VanDerWaalsContact C-N 3.25Å; R168-Q170 PolarHBondContact O-N 3.33Å; R168-C171 WeakPolarHBondContact O-CA 3.38Å; R168-C171 WeakPolarHBondContact O-CB 3.47Å; R168-C171 PolarHBondContact O-N 3.5Å; R168-F172 HydrophobicContact CG-CE1 4.14Å; R168-F172 HydrophobicContact CG-CE2 4.01Å; R168-F172 HydrophobicContact CG-CZ 3.76Å; R168-F172 PolarHBondContact O-N 3.45Å; R168-F172 VanDerWaalsContact O-N 3.14Å
169	E	68.2	Low	65.9	Low	103 Å²	103	63 Å²	63	48%	0.481	33%	0.332	S	S	.	.	H	α-helix	trans	-56	-39	173.4	-166.2	-166.4	168.9	0	0	112.2	L165 R166 C171 F172 N173	L165-E169 PolarHBondContact O-N 3.37Å; R166-E169 PolarHBondContact O-N 2.95Å; E169-C171 PolarHBondContact O-N 2.87Å; E169-F172 WeakPolarHBondContact O-CB 3.48Å; E169-F172 PolarHBondContact O-N 3.02Å; E169-F172 VanDerWaalsContact O-N 3.09Å; E169-N173 PolarHBondContact O-N 3.49Å; E169-N173 PolarHBondContact O-ND2 2.58Å
170	Q	66.2	Low	65.2	Low	92 Å²	92	63.2 Å²	63.2	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-60.9	-31.5	175.4	-64.1	174.9	5.9	0	0	112.7	R166 R168 A174 L288	R166-Q170 PolarHBondContact O-N 3.15Å; R168-Q170 VanDerWaalsContact C-N 3.25Å; R168-Q170 PolarHBondContact O-N 3.33Å; Q170-A174 PolarHBondContact O-N 3.02Å; Q170-L288 HydrophobicContact CB-CD1 4.15Å; Q170-L288 VanDerWaalsContact OE1-CD2 3.23Å
171	C	63.2	Low	64.6	Low	15 Å²	15	69.1 Å²	69.1	10%	0.101	35%	0.35	C	S	.	.	H	α-helix	trans	-73.8	-41.7	172.3	-174.7	0	0	0	0	111.8	Q121 R168 E169 N173 A174 H175	Q121-C171 PolarHBondContact OE1-SG 3.02Å; R168-C171 WeakPolarHBondContact O-CA 3.38Å; R168-C171 WeakPolarHBondContact O-CB 3.47Å; R168-C171 PolarHBondContact O-N 3.5Å; E169-C171 PolarHBondContact O-N 2.87Å; C171-N173 PolarHBondContact O-N 3.21Å; C171-A174 WeakPolarHBondContact O-CB 3.48Å; C171-A174 PolarHBondContact O-N 2.76Å; C171-A174 VanDerWaalsContact O-N 3.15Å; C171-H175 PolarHBondContact O-N 3.41Å; C171-H175 VanDerWaalsContact O-N 3.14Å
172	F	66	Low	63.7	Low	22 Å²	22	69.9 Å²	69.9	10%	0.096	36%	0.355	C	S	.	.	H	α-helix	trans	-58	-47.5	176.7	-61.8	-31.9	0	0	0	112	Q121 R168 E169 A174 H175 H176 Y184	Q121-F172 WeakPolarHBondContact O-CE1 3.45Å; R168-F172 HydrophobicContact CG-CE1 4.14Å; R168-F172 HydrophobicContact CG-CE2 4.01Å; R168-F172 HydrophobicContact CG-CZ 3.76Å; R168-F172 PolarHBondContact O-N 3.45Å; R168-F172 VanDerWaalsContact O-N 3.14Å; E169-F172 WeakPolarHBondContact O-CB 3.48Å; E169-F172 PolarHBondContact O-N 3.02Å; E169-F172 VanDerWaalsContact O-N 3.09Å; F172-A174 PolarHBondContact O-N 3.37Å; F172-H175 CarbonylContact O-C 3.54Å; F172-H175 PolarHBondContact O-N 2.85Å; F172-H176 WeakPolarHBondContact O-CB 3.35Å; F172-H176 PolarHBondContact O-N 3.44Å; F172-Y184 HydrophobicContact CB-CD2 4.26Å; F172-Y184 HydrophobicContact CD1-CD2 4.39Å; F172-Y184 HydrophobicContact CD1-CG 4.37Å; F172-Y184 AromaticContact CD2-CD2 3.8Å; F172-Y184 HydrophobicContact CD2-CD2 3.8Å; F172-Y184 HydrophobicContact CE2-CD2 4.09Å; F172-Y184 VanDerWaalsContact CE2-O 3.3Å; F172-Y184 WeakPolarHBondContact CE2-O 3.46Å; F172-Y184 AromaticContact CG-CD2 3.94Å; F172-Y184 HydrophobicContact CG-CD2 3.94Å; F172-Y184 HydrophobicContact CG-CG 4.35Å; F172-Y184 HydrophobicContact CZ-CD2 4.47Å; F172-Y184 WeakPolarHBondContact CZ-O 3.41Å
173	N	66.1	Low	63.1	Low	91 Å²	91	73.3 Å²	73.3	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-59.4	-35.1	177.8	-70.9	-31	0	0	0	112.2	E169 C171 H175	E169-N173 PolarHBondContact O-N 3.49Å; E169-N173 PolarHBondContact O-ND2 2.58Å; C171-N173 PolarHBondContact O-N 3.21Å; N173-H175 VanDerWaalsContact C-N 3.34Å; N173-H175 PolarHBondContact O-N 2.93Å
174	A	65.7	Low	63	Low	45 Å²	45	71.2 Å²	71.2	37%	0.372	36%	0.359	S	S	.	.	H	α-helix	trans	-72.5	-20.5	174.9	0	0	0	0	0	114.5	Q170 C171 F172	Q170-A174 PolarHBondContact O-N 3.02Å; C171-A174 WeakPolarHBondContact O-CB 3.48Å; C171-A174 PolarHBondContact O-N 2.76Å; C171-A174 VanDerWaalsContact O-N 3.15Å; F172-A174 PolarHBondContact O-N 3.37Å
175	H	63.6	Low	63.3	Low	43 Å²	43	75.3 Å²	75.3	20%	0.199	37%	0.374	C	S	.	.	H	α-helix	trans	-100.4	-27.8	179.1	-73.7	-178.9	0	0	0	113.5	C119 C171 F172 N173 L177 K178	C119-H175 VanDerWaalsContact SG-CE1 3.51Å; C171-H175 PolarHBondContact O-N 3.41Å; C171-H175 VanDerWaalsContact O-N 3.14Å; F172-H175 CarbonylContact O-C 3.54Å; F172-H175 PolarHBondContact O-N 2.85Å; N173-H175 VanDerWaalsContact C-N 3.34Å; N173-H175 PolarHBondContact O-N 2.93Å; H175-L177 PolarHBondContact O-N 2.89Å; H175-K178 WeakPolarHBondContact O-CB 3.48Å; H175-K178 PolarHBondContact O-N 3.17Å
176	H	59.6	Low	63.9	Low	96 Å²	96	74.8 Å²	74.8	44%	0.444	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-34.6	172.7	-163.5	-53.8	0	0	0	111.7	F172 K178 G179	F172-H176 WeakPolarHBondContact O-CB 3.35Å; F172-H176 PolarHBondContact O-N 3.44Å; H176-K178 PolarHBondContact O-N 2.93Å; H176-K178 VanDerWaalsContact O-N 3.13Å; H176-G179 PolarHBondContact O-N 3.47Å
177	L	54.8	Low	64.8	Low	157 Å²	157	68.5 Å²	68.5	82%	0.822	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-9.6	171.7	-81.4	160	0	0	0	114.7	H175	H175-L177 PolarHBondContact O-N 2.89Å
178	K	57.8	Low	66	Low	160 Å²	160	67.5 Å²	67.5	70%	0.696	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	13.2	178.1	-60.6	-179.8	-176.7	169.1	0	113.4	H175 H176 Y180	H175-K178 WeakPolarHBondContact O-CB 3.48Å; H175-K178 PolarHBondContact O-N 3.17Å; H176-K178 PolarHBondContact O-N 2.93Å; H176-K178 VanDerWaalsContact O-N 3.13Å; K178-Y180 PolarHBondContact O-N 2.89Å
179	G	54.1	Low	67	Low	64 Å²	64	66.8 Å²	66.8	66%	0.66	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	18	179.9	0	0	0	0	0	114.4	H176 Q181	H176-G179 PolarHBondContact O-N 3.47Å; G179-Q181 PolarHBondContact O-N 2.56Å
180	Y	53.2	Low	68.1	Low	73 Å²	73	61.9 Å²	61.9	29%	0.286	31%	0.314	S	S	.	.			trans	-80.7	119.1	179.9	-153.3	-121.1	0	0	0	109.9	S118 C122 K178 P182	S118-Y180 WeakPolarHBondContact CB-OH 3.21Å; S118-Y180 PolarHBondContact N-OH 3.32Å; S118-Y180 WeakPolarHBondContact OG-CE1 3.46Å; S118-Y180 PolarHBondContact OG-OH 3.09Å; C122-Y180 HydrophobicContact CB-CE1 4.35Å; K178-Y180 PolarHBondContact O-N 2.89Å; Y180-P182 HydrophobicContact CD1-CB 4.41Å; Y180-P182 HydrophobicContact CD1-CG 3.61Å; Y180-P182 HydrophobicContact CE1-CB 4.15Å; Y180-P182 HydrophobicContact CE1-CG 3.79Å; Y180-P182 WeakPolarHBondContact O-CD 3.44Å
181	Q	53.7	Low	69.1	Low	158 Å²	158	57.6 Å²	57.6	74%	0.738	30%	0.295	S	S	*	.			trans	-113.7	58.6	-176.9	-71	-82.7	-5.5	0	0	112.9	G179	G179-Q181 PolarHBondContact O-N 2.56Å
182	P	55.2	Low	70	Confident	19 Å²	19	60 Å²	60	12%	0.123	31%	0.306	C	S	.	.			trans	-81.4	167.3	168.8	36.3	-35	0	0	0	110.9	Y117 C122 Y180 Y184	Y117-P182 HydrophobicContact CD1-CB 4.13Å; Y117-P182 HydrophobicContact CE1-CB 4Å; C122-P182 HydrophobicContact CB-CB 4.42Å; C122-P182 HydrophobicContact CB-CG 3.94Å; Y180-P182 HydrophobicContact CD1-CB 4.41Å; Y180-P182 HydrophobicContact CD1-CG 3.61Å; Y180-P182 HydrophobicContact CE1-CB 4.15Å; Y180-P182 HydrophobicContact CE1-CG 3.79Å; Y180-P182 WeakPolarHBondContact O-CD 3.44Å; P182-Y184 HydrophobicContact CG-CD1 4.47Å; P182-Y184 VanDerWaalsContact O-CD1 3.23Å; P182-Y184 WeakPolarHBondContact O-CD1 3.41Å; P182-Y184 PolarHBondContact O-N 3.44Å
183	N	60.1	Low	70.7	Confident	84 Å²	84	60.5 Å²	60.5	45%	0.449	31%	0.313	S	S	.	.			trans	-69.8	56.9	169.7	-77	-6.9	0	0	0	112.4	R185 L186	N183-R185 PolarHBondContact O-N 3.23Å; N183-L186 HydrophobicContact CB-CB 3.98Å; N183-L186 HydrophobicContact CB-CD2 4.31Å; N183-L186 WeakPolarHBondContact O-CB 3.49Å; N183-L186 PolarHBondContact O-N 3.26Å; N183-L186 VanDerWaalsContact O-N 3.07Å
184	Y	64.8	Low	71	Confident	46 Å²	46	59 Å²	59	18%	0.18	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21	-174.3	65	-96.3	0	0	0	113.6	F172 P182	F172-Y184 HydrophobicContact CB-CD2 4.26Å; F172-Y184 HydrophobicContact CD1-CD2 4.39Å; F172-Y184 HydrophobicContact CD1-CG 4.37Å; F172-Y184 AromaticContact CD2-CD2 3.8Å; F172-Y184 HydrophobicContact CD2-CD2 3.8Å; F172-Y184 HydrophobicContact CE2-CD2 4.09Å; F172-Y184 VanDerWaalsContact CE2-O 3.3Å; F172-Y184 WeakPolarHBondContact CE2-O 3.46Å; F172-Y184 AromaticContact CG-CD2 3.94Å; F172-Y184 HydrophobicContact CG-CD2 3.94Å; F172-Y184 HydrophobicContact CG-CG 4.35Å; F172-Y184 HydrophobicContact CZ-CD2 4.47Å; F172-Y184 WeakPolarHBondContact CZ-O 3.41Å; P182-Y184 HydrophobicContact CG-CD1 4.47Å; P182-Y184 VanDerWaalsContact O-CD1 3.23Å; P182-Y184 WeakPolarHBondContact O-CD1 3.41Å; P182-Y184 PolarHBondContact O-N 3.44Å
185	R	75.8	Confident	71.1	Confident	128 Å²	128	57 Å²	57	48%	0.483	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-8.7	176	-59.4	-170.3	-177.2	-160.1	-1.1	114.1	N183 I187 L218 D219	N183-R185 PolarHBondContact O-N 3.23Å; R185-I187 PolarHBondContact O-N 3.39Å; R185-L218 HydrophobicContact CB-CD2 4.23Å; R185-L218 WeakPolarHBondContact O-CB 3.32Å; R185-D219 PolarHBondContact O-N 3.18Å
186	L	86.3	Confident	71	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.6	-175.3	-178.2	59.9	0	0	0	111.1	L112 P124 L125 N183 I188 D219 R221	L112-L186 HydrophobicContact CD1-CD2 3.59Å; P124-L186 WeakPolarHBondContact CA-O 3.27Å; P124-L186 HydrophobicContact CB-CB 4.26Å; P124-L186 HydrophobicContact CB-CD2 4.1Å; P124-L186 HydrophobicContact CB-CG 4.11Å; P124-L186 HydrophobicContact CG-CD2 4.06Å; L125-L186 PolarHBondContact N-O 3.24Å; N183-L186 HydrophobicContact CB-CB 3.98Å; N183-L186 HydrophobicContact CB-CD2 4.31Å; N183-L186 WeakPolarHBondContact O-CB 3.49Å; N183-L186 PolarHBondContact O-N 3.26Å; N183-L186 VanDerWaalsContact O-N 3.07Å; L186-I188 HydrophobicContact CD1-CG1 4.34Å; L186-I188 HydrophobicContact CD2-CD1 4.3Å; L186-I188 HydrophobicContact CD2-CG1 4.48Å; L186-I188 HydrophobicContact CG-CD1 4.45Å; L186-I188 HydrophobicContact CG-CG1 4.15Å; L186-D219 CarbonylContact C-O 3.57Å; L186-D219 WeakPolarHBondContact CA-O 3.31Å; L186-D219 HydrophobicContact CD1-CB 4.34Å; L186-R221 HydrophobicContact CD1-CG 3.89Å
187	I	89.4	Confident	70.9	Confident	3 Å²	3	63 Å²	63	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.4	165.4	-58.7	-163	0	0	0	108.5	L125 L127 L165 R185 I189 L212 L218 D219 A220 R221	L125-I187 HydrophobicContact CB-CG1 4.07Å; L125-I187 HydrophobicContact CD2-CD1 3.91Å; L125-I187 HydrophobicContact CD2-CG1 4.37Å; L125-I187 CarbonylContact O-C 3.59Å; L125-I187 VanDerWaalsContact O-CA 3.31Å; L125-I187 WeakPolarHBondContact O-CA 3.27Å; L127-I187 HydrophobicContact CD1-CG2 3.66Å; L127-I187 HydrophobicContact CG-CG2 3.84Å; L165-I187 HydrophobicContact CD1-CD1 4.48Å; L165-I187 HydrophobicContact CD2-CD1 3.98Å; R185-I187 PolarHBondContact O-N 3.39Å; I187-I189 HydrophobicContact CG2-CG1 4.08Å; I187-L212 HydrophobicContact CD1-CD1 4.07Å; I187-L212 HydrophobicContact CD1-CD2 3.93Å; I187-L212 HydrophobicContact CD1-CG 4.49Å; I187-L212 HydrophobicContact CG2-CD1 4.14Å; I187-L218 HydrophobicContact CD1-CB 4.42Å; I187-L218 HydrophobicContact CD1-CD1 3.35Å; I187-L218 HydrophobicContact CD1-CG 4.47Å; I187-L218 HydrophobicContact CG1-CB 4.36Å; I187-L218 HydrophobicContact CG1-CD1 3.98Å; I187-D219 PolarHBondContact N-O 2.88Å; I187-A220 WeakPolarHBondContact O-CA 3.33Å; I187-R221 PolarHBondContact O-N 2.89Å
188	I	91.4	Very high	71.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.4	175.2	-60.3	166.4	0	0	0	107.3	I104 L109 L112 P124 L125 I126 L127 L186 R221	I104-I188 HydrophobicContact CD1-CD1 3.84Å; I104-I188 HydrophobicContact CD1-CG1 4.27Å; I104-I188 HydrophobicContact CG2-CG1 4.47Å; I104-I188 HydrophobicContact CG2-CG2 3.83Å; L109-I188 HydrophobicContact CD1-CD1 3.64Å; L109-I188 HydrophobicContact CD1-CG2 4.36Å; L109-I188 HydrophobicContact CD2-CG2 4.38Å; L112-I188 HydrophobicContact CD1-CD1 3.82Å; P124-I188 HydrophobicContact CB-CD1 4.1Å; L125-I188 PolarHBondContact O-N 3.22Å; I126-I188 CarbonylContact C-O 3.52Å; I126-I188 WeakPolarHBondContact CA-O 3.45Å; I126-I188 HydrophobicContact CG1-CB 4.42Å; L127-I188 PolarHBondContact N-O 3.36Å; L186-I188 HydrophobicContact CD1-CG1 4.34Å; L186-I188 HydrophobicContact CD2-CD1 4.3Å; L186-I188 HydrophobicContact CD2-CG1 4.48Å; L186-I188 HydrophobicContact CG-CD1 4.45Å; L186-I188 HydrophobicContact CG-CG1 4.15Å; I188-R221 CarbonylContact C-O 3.19Å; I188-R221 WeakPolarHBondContact CA-O 3.4Å
189	I	92.2	Very high	71.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.2	-179.5	-53.6	164.9	0	0	0	108.1	L127 I129 I187 L205 L208 V209 L212 R221 V222 L223	L127-I189 HydrophobicContact CB-CG1 4.39Å; L127-I189 HydrophobicContact CD1-CG1 4.44Å; L127-I189 WeakPolarHBondContact O-CA 3.37Å; I129-I189 HydrophobicContact CD1-CG2 3.9Å; I129-I189 HydrophobicContact CG1-CG2 3.91Å; I129-I189 HydrophobicContact CG2-CG2 3.84Å; I187-I189 HydrophobicContact CG2-CG1 4.08Å; I189-L205 HydrophobicContact CB-CD1 4.28Å; I189-L205 HydrophobicContact CD1-CD1 4.16Å; I189-L205 HydrophobicContact CG2-CD1 3.64Å; I189-L208 HydrophobicContact CD1-CD2 4.09Å; I189-L208 HydrophobicContact CD1-CG 4.16Å; I189-L208 HydrophobicContact CG2-CD2 4.35Å; I189-V209 HydrophobicContact CD1-CG2 3.68Å; I189-L212 HydrophobicContact CD1-CD1 3.96Å; I189-R221 PolarHBondContact N-O 3.4Å; I189-V222 CarbonylContact O-C 3.26Å; I189-V222 WeakPolarHBondContact O-CA 3.47Å; I189-L223 PolarHBondContact O-N 3.13Å
190	Y	91.1	Very high	71.5	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152	174.7	72.5	-92.9	0	0	0	114.9	I126 L127 D128 I129 I140 A143 L223 I227	I126-Y190 HydrophobicContact CG2-CD1 3.72Å; I126-Y190 HydrophobicContact CG2-CE1 3.57Å; L127-Y190 PolarHBondContact O-N 2.89Å; D128-Y190 HydrophobicContact CB-CE1 3.75Å; D128-Y190 HydrophobicContact CB-CE2 4Å; D128-Y190 VanDerWaalsContact CB-CZ 3.46Å; D128-Y190 WeakPolarHBondContact CB-OH 3.35Å; D128-Y190 VanDerWaalsContact CG-CZ 3.42Å; D128-Y190 PolarHBondContact OD2-OH 2.92Å; I129-Y190 VanDerWaalsContact CG1-O 3.29Å; I129-Y190 WeakPolarHBondContact CG1-O 3.45Å; I129-Y190 PolarHBondContact N-O 2.69Å; I140-Y190 HydrophobicContact CB-CE1 3.99Å; I140-Y190 HydrophobicContact CD1-CD1 3.94Å; I140-Y190 HydrophobicContact CD1-CD2 4.41Å; I140-Y190 HydrophobicContact CD1-CE1 3.89Å; I140-Y190 HydrophobicContact CD1-CE2 4.36Å; I140-Y190 HydrophobicContact CD1-CG 4.17Å; I140-Y190 HydrophobicContact CG1-CE1 3.98Å; I140-Y190 HydrophobicContact CG1-CE2 4.24Å; I140-Y190 PolarHBondContact N-OH 3.36Å; A143-Y190 HydrophobicContact CB-CE1 3.72Å; A143-Y190 WeakPolarHBondContact CB-OH 3.2Å; Y190-L223 HydrophobicContact CG-CD2 4.34Å; Y190-I227 HydrophobicContact CD2-CB 3.8Å; Y190-I227 HydrophobicContact CD2-CG2 4.47Å; Y190-I227 HydrophobicContact CE2-CB 3.83Å; Y190-I227 HydrophobicContact CE2-CD1 3.76Å; Y190-I227 HydrophobicContact CE2-CG1 4.18Å; Y190-I227 HydrophobicContact CE2-CG2 4.47Å
191	T	87.8	Confident	72.2	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.018	30%	0.298	C	S	.	.			trans	-116	176.8	-179.7	43.2	0	0	0	0	110.3	I129 S193 L201 G226 I227	I129-T191 HydrophobicContact CD1-CG2 3.71Å; I129-T191 HydrophobicContact CG1-CG2 3.86Å; T191-S193 VanDerWaalsContact C-N 3.35Å; T191-S193 WeakPolarHBondContact CB-O 3.41Å; T191-S193 PolarHBondContact OG1-O 3.39Å; T191-L201 HydrophobicContact CG2-CD1 4.16Å; T191-L201 HydrophobicContact CG2-CD2 3.79Å; T191-L201 HydrophobicContact CG2-CG 4.16Å; T191-G226 WeakPolarHBondContact O-CA 3.34Å; T191-I227 PolarHBondContact O-N 3.25Å
192	D	81.9	Confident	73.3	Confident	64 Å²	64	56.6 Å²	56.6	34%	0.342	28%	0.282	S	S	.	.	S	Bend	trans	-64.3	-42.3	177.7	-81.6	-60.5	0	0	0	110.7	R130 S134 Q228	R130-D192 VanDerWaalsContact CD-N 3.31Å; R130-D192 WeakPolarHBondContact CD-OD1 3.34Å; R130-D192 IonicContact CZ-OD1 3.1Å; R130-D192 IonicContact NE-OD1 3.49Å; R130-D192 IonicContact NH1-OD1 3.32Å; R130-D192 PolarHBondContact NH1-OD1 2.6Å; S134-D192 WeakPolarHBondContact CB-OD1 3.42Å; S134-D192 WeakPolarHBondContact CB-OD2 3.43Å; S134-D192 PolarHBondContact OG-OD1 3Å; S134-D192 PolarHBondContact OG-OD2 2.78Å; D192-Q228 WeakPolarHBondContact O-CB 3.44Å; D192-Q228 PolarHBondContact O-N 3.44Å
193	S	79.8	Confident	74.2	Confident	34 Å²	34	58.5 Å²	58.5	24%	0.238	29%	0.291	C	S	.	.	S	Bend	trans	-141.9	-177.7	-179.2	-46	0	0	0	0	110.5	T191	T191-S193 VanDerWaalsContact C-N 3.35Å; T191-S193 WeakPolarHBondContact CB-O 3.41Å; T191-S193 PolarHBondContact OG1-O 3.39Å
194	D	72.2	Confident	75.1	Confident	59 Å²	59	54.7 Å²	54.7	32%	0.316	27%	0.271	S	S	.	.			trans	-59.9	154.4	175.9	-97.4	-35.6	0	0	0	114	D196 G225	D194-D196 PolarHBondContact O-N 3.44Å; D194-G225 PolarHBondContact OD1-N 2.89Å; D194-G225 WeakPolarHBondContact OD2-CA 3.46Å; D194-G225 PolarHBondContact OD2-N 3.39Å
195	I	67.6	Low	76	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-73.2	-31	-168.2	-46.9	162.5	0	0	0	112.3	I101 F103 E197 F198 K202 L205 V222	I101-I195 HydrophobicContact CD1-CD1 4.35Å; F103-I195 HydrophobicContact CE1-CD1 3.63Å; F103-I195 HydrophobicContact CZ-CD1 3.76Å; I195-E197 PolarHBondContact O-N 3.25Å; I195-E197 VanDerWaalsContact O-N 3.15Å; I195-F198 PolarHBondContact O-N 3.02Å; I195-K202 VanDerWaalsContact CG2-CA 3.46Å; I195-K202 HydrophobicContact CG2-CB 3.56Å; I195-K202 HydrophobicContact CG2-CD 4.22Å; I195-K202 HydrophobicContact CG2-CG 3.7Å; I195-L205 HydrophobicContact CD1-CD2 3.51Å; I195-L205 HydrophobicContact CG1-CD2 3.66Å; I195-L205 HydrophobicContact CG2-CD2 4.29Å; I195-V222 HydrophobicContact CD1-CG1 4.09Å; I195-V222 HydrophobicContact CG1-CG1 4.48Å
196	D	63.2	Low	76.4	Confident	119 Å²	119	49.5 Å²	49.5	64%	0.636	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-69.6	-14.6	-165.6	-71.9	-42.1	0	0	0	114.5	D194 F198 K202	D194-D196 PolarHBondContact O-N 3.44Å; D196-F198 VanDerWaalsContact C-N 3.32Å; D196-K202 IonicContact OD1-NZ 3.33Å; D196-K202 PolarHBondContact OD1-NZ 2.84Å
197	E	56	Low	76.2	Confident	144 Å²	144	50.7 Å²	50.7	67%	0.673	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-76.4	-15.9	171.7	-63.5	-170.6	165.9	0	0	113.3	I195	I195-E197 PolarHBondContact O-N 3.25Å; I195-E197 VanDerWaalsContact O-N 3.15Å
198	F	59.1	Low	76	Confident	106 Å²	106	50.8 Å²	50.8	47%	0.465	26%	0.262	S	S	.	.			trans	-136.1	89.1	-168.2	-59.9	-75	0	0	0	113.9	I195 D196 M200 L201 K202	I195-F198 PolarHBondContact O-N 3.02Å; D196-F198 VanDerWaalsContact C-N 3.32Å; F198-M200 VanDerWaalsContact C-N 3.32Å; F198-M200 PolarHBondContact O-N 2.9Å; F198-L201 HydrophobicContact CB-CB 3.74Å; F198-L201 HydrophobicContact CB-CD2 4.33Å; F198-L201 WeakPolarHBondContact O-CA 3.28Å; F198-L201 WeakPolarHBondContact O-CB 3.39Å; F198-L201 PolarHBondContact O-N 3.28Å; F198-K202 PolarHBondContact O-N 3.12Å
199	P	60.8	Low	75.9	Confident	93 Å²	93	50.9 Å²	50.9	60%	0.604	26%	0.262	S	S	*	.	H	α-helix	trans	-54.6	-39.4	-178.1	-28.7	35.5	0	0	0	115.1	L201 K202 D203	P199-L201 VanDerWaalsContact C-N 3.3Å; P199-L201 PolarHBondContact O-N 3.07Å; P199-K202 WeakPolarHBondContact O-CB 3.34Å; P199-K202 PolarHBondContact O-N 2.84Å; P199-D203 PolarHBondContact O-N 3.43Å
200	M	60.2	Low	75.6	Confident	142 Å²	142	54.1 Å²	54.1	70%	0.7	28%	0.277	S	S	*	.	H	α-helix	trans	-68.1	-27.5	177.1	-73.6	-73.1	98.8	0	0	113.7	F198 D203 L204	F198-M200 VanDerWaalsContact C-N 3.32Å; F198-M200 PolarHBondContact O-N 2.9Å; M200-D203 WeakPolarHBondContact CE-OD2 3.41Å; M200-L204 WeakPolarHBondContact O-CB 3.28Å; M200-L204 PolarHBondContact O-N 3.31Å
201	L	68.5	Low	75.3	Confident	44 Å²	44	54.5 Å²	54.5	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-77.2	-37.5	173.7	-173	59.4	0	0	0	110.4	T191 F198 P199 L204 L205	T191-L201 HydrophobicContact CG2-CD1 4.16Å; T191-L201 HydrophobicContact CG2-CD2 3.79Å; T191-L201 HydrophobicContact CG2-CG 4.16Å; F198-L201 HydrophobicContact CB-CB 3.74Å; F198-L201 HydrophobicContact CB-CD2 4.33Å; F198-L201 WeakPolarHBondContact O-CA 3.28Å; F198-L201 WeakPolarHBondContact O-CB 3.39Å; F198-L201 PolarHBondContact O-N 3.28Å; P199-L201 VanDerWaalsContact C-N 3.3Å; P199-L201 PolarHBondContact O-N 3.07Å; L201-L204 HydrophobicContact CD1-CD2 4.11Å; L201-L204 PolarHBondContact O-N 3.04Å; L201-L205 WeakPolarHBondContact O-CB 3.37Å; L201-L205 PolarHBondContact O-N 3.13Å
202	K	76	Confident	75.2	Confident	93 Å²	93	54.3 Å²	54.3	40%	0.404	28%	0.277	S	S	.	.	H	α-helix	trans	-56.6	-50.5	173.4	-162.3	162.1	-175.4	162.4	0	112.1	I195 D196 F198 P199 L204 L205 H206	I195-K202 VanDerWaalsContact CG2-CA 3.46Å; I195-K202 HydrophobicContact CG2-CB 3.56Å; I195-K202 HydrophobicContact CG2-CD 4.22Å; I195-K202 HydrophobicContact CG2-CG 3.7Å; D196-K202 IonicContact OD1-NZ 3.33Å; D196-K202 PolarHBondContact OD1-NZ 2.84Å; F198-K202 PolarHBondContact O-N 3.12Å; P199-K202 WeakPolarHBondContact O-CB 3.34Å; P199-K202 PolarHBondContact O-N 2.84Å; K202-L204 PolarHBondContact O-N 3.28Å; K202-L205 PolarHBondContact O-N 2.94Å; K202-H206 WeakPolarHBondContact O-CB 3.46Å; K202-H206 PolarHBondContact O-N 2.87Å
203	D	74.5	Confident	75.5	Confident	60 Å²	60	54.3 Å²	54.3	32%	0.321	28%	0.277	S	S	.	.	H	α-helix	trans	-54.8	-51.4	174.2	-84.1	10.8	0	0	0	112.8	R151 P199 M200 L205 H206 C207	R151-D203 IonicContact CZ-OD2 3.18Å; R151-D203 IonicContact NH2-OD2 2.8Å; R151-D203 PolarHBondContact NH2-OD2 3.45Å; P199-D203 PolarHBondContact O-N 3.43Å; M200-D203 WeakPolarHBondContact CE-OD2 3.41Å; D203-L205 VanDerWaalsContact C-N 3.33Å; D203-L205 PolarHBondContact O-N 2.85Å; D203-H206 PolarHBondContact O-N 2.88Å; D203-C207 PolarHBondContact O-N 2.92Å; D203-C207 PolarHBondContact O-SG 3.09Å; D203-C207 VanDerWaalsContact O-SG 3.36Å
204	L	77.9	Confident	75.6	Confident	4 Å²	4	57 Å²	57	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-46.4	-177.9	-179.8	94.2	0	0	0	111.2	C148 S150 R151 L154 M200 L201 K202 C207 L208	C148-L204 HydrophobicContact CB-CD2 4.05Å; C148-L204 WeakPolarHBondContact O-CD2 3.45Å; S150-L204 WeakPolarHBondContact O-CD1 3.38Å; R151-L204 HydrophobicContact CB-CD1 4.44Å; R151-L204 HydrophobicContact CG-CD1 4.12Å; R151-L204 VanDerWaalsContact N-CD1 3.31Å; L154-L204 HydrophobicContact CB-CD1 3.87Å; L154-L204 HydrophobicContact CD2-CD1 3.88Å; L154-L204 HydrophobicContact CD2-CG 4.15Å; M200-L204 WeakPolarHBondContact O-CB 3.28Å; M200-L204 PolarHBondContact O-N 3.31Å; L201-L204 HydrophobicContact CD1-CD2 4.11Å; L201-L204 PolarHBondContact O-N 3.04Å; K202-L204 PolarHBondContact O-N 3.28Å; L204-C207 PolarHBondContact O-N 2.85Å; L204-L208 PolarHBondContact O-N 3.14Å
205	L	84.1	Confident	76	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.2	-41.1	-178.1	-177.9	54.7	0	0	0	111	I129 I189 I195 L201 K202 D203 L208 V209 V222	I129-L205 HydrophobicContact CD1-CD1 3.95Å; I189-L205 HydrophobicContact CB-CD1 4.28Å; I189-L205 HydrophobicContact CD1-CD1 4.16Å; I189-L205 HydrophobicContact CG2-CD1 3.64Å; I195-L205 HydrophobicContact CD1-CD2 3.51Å; I195-L205 HydrophobicContact CG1-CD2 3.66Å; I195-L205 HydrophobicContact CG2-CD2 4.29Å; L201-L205 WeakPolarHBondContact O-CB 3.37Å; L201-L205 PolarHBondContact O-N 3.13Å; K202-L205 PolarHBondContact O-N 2.94Å; D203-L205 VanDerWaalsContact C-N 3.33Å; D203-L205 PolarHBondContact O-N 2.85Å; L205-L208 PolarHBondContact O-N 3.1Å; L205-V209 HydrophobicContact CD1-CG2 4.11Å; L205-V209 HydrophobicContact CG-CG2 4.44Å; L205-V209 WeakPolarHBondContact O-CB 3.47Å; L205-V209 VanDerWaalsContact O-CG2 3.29Å; L205-V209 WeakPolarHBondContact O-CG2 3.33Å; L205-V209 PolarHBondContact O-N 2.97Å; L205-V222 HydrophobicContact CD1-CG2 3.93Å; L205-V222 HydrophobicContact CD2-CG1 3.92Å; L205-V222 HydrophobicContact CD2-CG2 3.92Å; L205-V222 HydrophobicContact CG-CG2 4.04Å
206	H	84.4	Confident	76.6	Confident	65 Å²	65	58.6 Å²	58.6	30%	0.301	30%	0.298	S	S	.	.	H	α-helix	trans	-59.6	-45.5	171.7	-175	80.8	0	0	0	111.3	I101 K202 D203 L208 V209 K210	I101-H206 HydrophobicContact CD1-CB 4.42Å; K202-H206 WeakPolarHBondContact O-CB 3.46Å; K202-H206 PolarHBondContact O-N 2.87Å; D203-H206 PolarHBondContact O-N 2.88Å; H206-L208 VanDerWaalsContact C-N 3.35Å; H206-L208 PolarHBondContact O-N 2.84Å; H206-V209 PolarHBondContact O-N 3Å; H206-K210 WeakPolarHBondContact O-CB 3.26Å; H206-K210 PolarHBondContact O-N 2.72Å
207	C	82	Confident	77.5	Confident	28 Å²	28	59.2 Å²	59.2	19%	0.189	30%	0.297	C	S	.	.	H	α-helix	trans	-59.7	-40.5	174	-71	0	0	0	0	113	L154 D203 L204 H211	L154-C207 HydrophobicContact CD2-CB 4.35Å; D203-C207 PolarHBondContact O-N 2.92Å; D203-C207 PolarHBondContact O-SG 3.09Å; D203-C207 VanDerWaalsContact O-SG 3.36Å; L204-C207 PolarHBondContact O-N 2.85Å; C207-H211 VanDerWaalsContact O-CB 3.27Å; C207-H211 WeakPolarHBondContact O-CB 3.44Å; C207-H211 PolarHBondContact O-N 3.38Å
208	L	85.6	Confident	78.9	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-69.2	-48.5	177.7	172.4	60.5	0	0	0	112	I129 L154 L158 L161 I189 L204 L205 H206 K210 H211 L212	I129-L208 HydrophobicContact CG2-CD2 3.88Å; L154-L208 HydrophobicContact CD1-CB 4.12Å; L154-L208 HydrophobicContact CD1-CD1 3.9Å; L154-L208 HydrophobicContact CD1-CD2 4.45Å; L154-L208 HydrophobicContact CD1-CG 4.36Å; L154-L208 HydrophobicContact CD2-CB 4.2Å; L158-L208 HydrophobicContact CD2-CD1 4.17Å; L161-L208 HydrophobicContact CD2-CD1 4.14Å; I189-L208 HydrophobicContact CD1-CD2 4.09Å; I189-L208 HydrophobicContact CD1-CG 4.16Å; I189-L208 HydrophobicContact CG2-CD2 4.35Å; L204-L208 PolarHBondContact O-N 3.14Å; L205-L208 PolarHBondContact O-N 3.1Å; H206-L208 VanDerWaalsContact C-N 3.35Å; H206-L208 PolarHBondContact O-N 2.84Å; L208-K210 PolarHBondContact O-N 3.19Å; L208-H211 PolarHBondContact O-N 3.44Å; L208-L212 HydrophobicContact CD1-CD1 3.9Å; L208-L212 HydrophobicContact CD1-CG 4.04Å; L208-L212 HydrophobicContact CG-CD1 4.12Å; L208-L212 VanDerWaalsContact O-CG 3.32Å; L208-L212 WeakPolarHBondContact O-CG 3.45Å; L208-L212 PolarHBondContact O-N 3.44Å
209	V	89.2	Confident	80.3	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-57.1	-50.1	177.1	167	0	0	0	0	109.8	I189 L205 H206 H211 L212 I213 A220 V222	I189-V209 HydrophobicContact CD1-CG2 3.68Å; L205-V209 HydrophobicContact CD1-CG2 4.11Å; L205-V209 HydrophobicContact CG-CG2 4.44Å; L205-V209 WeakPolarHBondContact O-CB 3.47Å; L205-V209 VanDerWaalsContact O-CG2 3.29Å; L205-V209 WeakPolarHBondContact O-CG2 3.33Å; L205-V209 PolarHBondContact O-N 2.97Å; H206-V209 PolarHBondContact O-N 3Å; V209-H211 PolarHBondContact O-N 3.18Å; V209-L212 PolarHBondContact O-N 2.98Å; V209-L212 VanDerWaalsContact O-N 3.15Å; V209-I213 HydrophobicContact CG1-CD1 3.67Å; V209-I213 WeakPolarHBondContact O-CG1 3.48Å; V209-I213 PolarHBondContact O-N 3.1Å; V209-A220 HydrophobicContact CG1-CB 4.23Å; V209-V222 HydrophobicContact CG2-CG2 4.11Å
210	K	86.6	Confident	81.7	Confident	69 Å²	69	46.3 Å²	46.3	30%	0.3	23%	0.232	S	C	.	.	H	α-helix	trans	-59.8	-44.3	176.9	-173.1	162.1	-172.7	156.1	0	112.4	Y85 H206 L208 L212 I213 D214	Y85-K210 HydrophobicContact CE1-CD 4.49Å; H206-K210 WeakPolarHBondContact O-CB 3.26Å; H206-K210 PolarHBondContact O-N 2.72Å; L208-K210 PolarHBondContact O-N 3.19Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 2.87Å; K210-I213 PolarHBondContact O-N 2.81Å; K210-D214 WeakPolarHBondContact CE-OD2 3.46Å; K210-D214 WeakPolarHBondContact CG-OD2 3.39Å; K210-D214 VanDerWaalsContact O-CB 3.25Å; K210-D214 WeakPolarHBondContact O-CB 3.25Å; K210-D214 VanDerWaalsContact O-CG 3.3Å; K210-D214 PolarHBondContact O-N 2.94Å
211	H	83.5	Confident	83.2	Confident	7 Å²	7	41.9 Å²	41.9	3%	0.032	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-40.4	174.6	-179.1	96.8	0	0	0	112.6	N162 C207 L208 V209 V215 H216	N162-H211 PolarHBondContact OD1-NE2 3.46Å; C207-H211 VanDerWaalsContact O-CB 3.27Å; C207-H211 WeakPolarHBondContact O-CB 3.44Å; C207-H211 PolarHBondContact O-N 3.38Å; L208-H211 PolarHBondContact O-N 3.44Å; V209-H211 PolarHBondContact O-N 3.18Å; H211-V215 WeakPolarHBondContact O-CB 3.49Å; H211-V215 WeakPolarHBondContact O-CG2 3.18Å; H211-V215 PolarHBondContact O-N 3.19Å; H211-H216 AromaticContact NE2-CD2 3.99Å; H211-H216 AromaticContact NE2-NE2 3.75Å
212	L	86.7	Confident	84.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69.5	-36.6	179.2	-69.1	172.5	0	0	0	112.8	L127 L161 L165 I187 I189 L208 V209 K210 H216 H217 L218 A220	L127-L212 HydrophobicContact CD1-CD1 4.3Å; L161-L212 HydrophobicContact CD2-CD2 4.09Å; L165-L212 HydrophobicContact CD1-CD2 3.68Å; I187-L212 HydrophobicContact CD1-CD1 4.07Å; I187-L212 HydrophobicContact CD1-CD2 3.93Å; I187-L212 HydrophobicContact CD1-CG 4.49Å; I187-L212 HydrophobicContact CG2-CD1 4.14Å; I189-L212 HydrophobicContact CD1-CD1 3.96Å; L208-L212 HydrophobicContact CD1-CD1 3.9Å; L208-L212 HydrophobicContact CD1-CG 4.04Å; L208-L212 HydrophobicContact CG-CD1 4.12Å; L208-L212 VanDerWaalsContact O-CG 3.32Å; L208-L212 WeakPolarHBondContact O-CG 3.45Å; L208-L212 PolarHBondContact O-N 3.44Å; V209-L212 PolarHBondContact O-N 2.98Å; V209-L212 VanDerWaalsContact O-N 3.15Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-L212 PolarHBondContact O-N 2.87Å; L212-H216 CarbonylContact O-C 3.57Å; L212-H216 WeakPolarHBondContact O-CB 3.44Å; L212-H216 PolarHBondContact O-N 2.95Å; L212-H217 PolarHBondContact O-N 3.24Å; L212-L218 HydrophobicContact CD2-CD1 4.49Å; L212-L218 PolarHBondContact O-N 3.07Å; L212-A220 HydrophobicContact CB-CB 4.07Å; L212-A220 HydrophobicContact CD1-CB 4.26Å
213	I	86.7	Confident	85.1	Confident	63 Å²	63	35.4 Å²	35.4	32%	0.323	18%	0.178	S	C	.	.	H	α-helix	trans	-72.1	-54	175.7	-65.5	165.8	0	0	0	110.3	V209 K210 H217 L218 A220	V209-I213 HydrophobicContact CG1-CD1 3.67Å; V209-I213 WeakPolarHBondContact O-CG1 3.48Å; V209-I213 PolarHBondContact O-N 3.1Å; K210-I213 PolarHBondContact O-N 2.81Å; I213-H217 WeakPolarHBondContact O-CA 3.4Å; I213-H217 PolarHBondContact O-N 3.02Å; I213-H217 PolarHBondContact O-ND1 3.06Å; I213-L218 WeakPolarHBondContact CG1-O 3.31Å; I213-A220 HydrophobicContact CG1-CB 4.23Å
214	D	83.5	Confident	85.9	Confident	91 Å²	91	36.9 Å²	36.9	49%	0.487	18%	0.181	S	C	.	.	H	α-helix	trans	-74.2	-39.2	-170.6	-65.7	-8.8	0	0	0	112.5	K210 H217	K210-D214 WeakPolarHBondContact CE-OD2 3.46Å; K210-D214 WeakPolarHBondContact CG-OD2 3.39Å; K210-D214 VanDerWaalsContact O-CB 3.25Å; K210-D214 WeakPolarHBondContact O-CB 3.25Å; K210-D214 VanDerWaalsContact O-CG 3.3Å; K210-D214 PolarHBondContact O-N 2.94Å; D214-H217 PolarHBondContact O-CE1 2.85Å; D214-H217 VanDerWaalsContact O-CE1 3.28Å
215	V	80.2	Confident	86.3	Confident	62 Å²	62	37 Å²	37	38%	0.376	18%	0.184	S	C	.	.	H	α-helix	trans	-95.6	-27.2	-172.7	-173.2	0	0	0	0	113.1	H211	H211-V215 WeakPolarHBondContact O-CB 3.49Å; H211-V215 WeakPolarHBondContact O-CG2 3.18Å; H211-V215 PolarHBondContact O-N 3.19Å
216	H	80.2	Confident	86.5	Confident	34 Å²	34	37 Å²	37	16%	0.157	18%	0.184	C	C	.	.	H	α-helix	trans	-120.2	-5.1	-178	-63.5	-87.3	0	0	0	114.6	N162 L165 H211 L212 L218	N162-H216 PolarHBondContact OD1-CE1 3.32Å; N162-H216 PolarHBondContact OD1-NE2 3.28Å; L165-H216 HydrophobicContact CD1-CB 4.45Å; H211-H216 AromaticContact NE2-CD2 3.99Å; H211-H216 AromaticContact NE2-NE2 3.75Å; L212-H216 CarbonylContact O-C 3.57Å; L212-H216 WeakPolarHBondContact O-CB 3.44Å; L212-H216 PolarHBondContact O-N 2.95Å; H216-L218 VanDerWaalsContact C-N 3.35Å; H216-L218 HydrophobicContact CB-CD1 3.6Å; H216-L218 HydrophobicContact CB-CG 3.67Å; H216-L218 WeakPolarHBondContact O-CG 3.25Å; H216-L218 PolarHBondContact O-N 3.15Å
217	H	82.3	Confident	86.8	Confident	132 Å²	132	34.2 Å²	34.2	61%	0.611	17%	0.171	S	C	*	.			trans	58.6	42.2	178.5	-49.4	-39.9	0	0	0	113.9	L212 I213 D214	L212-H217 PolarHBondContact O-N 3.24Å; I213-H217 WeakPolarHBondContact O-CA 3.4Å; I213-H217 PolarHBondContact O-N 3.02Å; I213-H217 PolarHBondContact O-ND1 3.06Å; D214-H217 PolarHBondContact O-CE1 2.85Å; D214-H217 VanDerWaalsContact O-CE1 3.28Å
218	L	85.3	Confident	87	Confident	24 Å²	24	38.5 Å²	38.5	13%	0.126	19%	0.188	C	C	.	.			trans	-103.2	150	-176.3	-57	179.2	0	0	0	111.8	L165 R185 I187 L212 I213 H216 A220	L165-L218 HydrophobicContact CD1-CD1 3.98Å; L165-L218 HydrophobicContact CD2-CD1 4Å; R185-L218 HydrophobicContact CB-CD2 4.23Å; R185-L218 WeakPolarHBondContact O-CB 3.32Å; I187-L218 HydrophobicContact CD1-CB 4.42Å; I187-L218 HydrophobicContact CD1-CD1 3.35Å; I187-L218 HydrophobicContact CD1-CG 4.47Å; I187-L218 HydrophobicContact CG1-CB 4.36Å; I187-L218 HydrophobicContact CG1-CD1 3.98Å; L212-L218 HydrophobicContact CD2-CD1 4.49Å; L212-L218 PolarHBondContact O-N 3.07Å; I213-L218 WeakPolarHBondContact CG1-O 3.31Å; H216-L218 VanDerWaalsContact C-N 3.35Å; H216-L218 HydrophobicContact CB-CD1 3.6Å; H216-L218 HydrophobicContact CB-CG 3.67Å; H216-L218 WeakPolarHBondContact O-CG 3.25Å; H216-L218 PolarHBondContact O-N 3.15Å; L218-A220 PolarHBondContact O-N 3.32Å
219	D	87.5	Confident	87.1	Confident	47 Å²	47	42.6 Å²	42.6	25%	0.251	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	97.5	168.9	177.3	11.3	0	0	0	107.1	R185 L186 I187 R221	R185-D219 PolarHBondContact O-N 3.18Å; L186-D219 CarbonylContact C-O 3.57Å; L186-D219 WeakPolarHBondContact CA-O 3.31Å; L186-D219 HydrophobicContact CD1-CB 4.34Å; I187-D219 PolarHBondContact N-O 2.88Å; D219-R221 WeakPolarHBondContact OD1-CG 3.07Å; D219-R221 IonicContact OD1-NE 2.65Å; D219-R221 PolarHBondContact OD1-NE 3.49Å; D219-R221 IonicContact OD2-CZ 3.9Å; D219-R221 IonicContact OD2-NE 2.94Å; D219-R221 PolarHBondContact OD2-NE 2.82Å; D219-R221 VanDerWaalsContact OD2-NE 3.1Å; D219-R221 IonicContact OD2-NH2 3.03Å; D219-R221 PolarHBondContact OD2-NH2 3.17Å
220	A	90.8	Very high	87.3	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.1	179.4	0	0	0	0	0	110.1	I187 V209 L212 I213 L218	I187-A220 WeakPolarHBondContact O-CA 3.33Å; V209-A220 HydrophobicContact CG1-CB 4.23Å; L212-A220 HydrophobicContact CB-CB 4.07Å; L212-A220 HydrophobicContact CD1-CB 4.26Å; I213-A220 HydrophobicContact CG1-CB 4.23Å; L218-A220 PolarHBondContact O-N 3.32Å
221	R	92.3	Very high	87.4	Confident	49 Å²	49	40.2 Å²	40.2	19%	0.185	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	151.5	177.1	-51.1	-166.3	-164	164.2	10.9	111.6	N102 I104 E108 L186 I187 I188 I189 D219	N102-R221 HydrophobicContact CB-CB 4.41Å; N102-R221 HydrophobicContact CB-CG 3.92Å; N102-R221 CarbonylContact O-C 3.17Å; N102-R221 VanDerWaalsContact O-CA 3.25Å; N102-R221 WeakPolarHBondContact O-CA 3.49Å; I104-R221 HydrophobicContact CB-CB 4.22Å; I104-R221 HydrophobicContact CG2-CB 4.18Å; E108-R221 IonicContact OE1-CZ 2.68Å; E108-R221 IonicContact OE1-NH1 3.99Å; E108-R221 PolarHBondContact OE1-NH1 3.46Å; E108-R221 IonicContact OE2-NH1 2.81Å; E108-R221 PolarHBondContact OE2-NH1 3.44Å; L186-R221 HydrophobicContact CD1-CG 3.89Å; I187-R221 PolarHBondContact O-N 2.89Å; I188-R221 CarbonylContact C-O 3.19Å; I188-R221 WeakPolarHBondContact CA-O 3.4Å; I189-R221 PolarHBondContact N-O 3.4Å; D219-R221 WeakPolarHBondContact OD1-CG 3.07Å; D219-R221 IonicContact OD1-NE 2.65Å; D219-R221 PolarHBondContact OD1-NE 3.49Å; D219-R221 IonicContact OD2-CZ 3.9Å; D219-R221 IonicContact OD2-NE 2.94Å; D219-R221 PolarHBondContact OD2-NE 2.82Å; D219-R221 VanDerWaalsContact OD2-NE 3.1Å; D219-R221 IonicContact OD2-NH2 3.03Å; D219-R221 PolarHBondContact OD2-NH2 3.17Å
222	V	91.8	Very high	87.6	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133	176.7	-173.7	0	0	0	0	110.5	I101 N102 F103 I104 I189 I195 L205 V209 K224	I101-V222 HydrophobicContact CG2-CB 4.1Å; I101-V222 HydrophobicContact CG2-CG2 3.51Å; N102-V222 PolarHBondContact O-N 3.12Å; F103-V222 CarbonylContact C-O 3.57Å; F103-V222 VanDerWaalsContact CA-O 3.26Å; F103-V222 WeakPolarHBondContact CA-O 3.4Å; F103-V222 HydrophobicContact CD1-CB 4.25Å; F103-V222 HydrophobicContact CE1-CB 4.37Å; I104-V222 PolarHBondContact N-O 3.41Å; I189-V222 CarbonylContact O-C 3.26Å; I189-V222 WeakPolarHBondContact O-CA 3.47Å; I195-V222 HydrophobicContact CD1-CG1 4.09Å; I195-V222 HydrophobicContact CG1-CG1 4.48Å; L205-V222 HydrophobicContact CD1-CG2 3.93Å; L205-V222 HydrophobicContact CD2-CG1 3.92Å; L205-V222 HydrophobicContact CD2-CG2 3.92Å; L205-V222 HydrophobicContact CG-CG2 4.04Å; V209-V222 HydrophobicContact CG2-CG2 4.11Å; V222-K224 PolarHBondContact O-N 3.02Å
223	L	92.7	Very high	87.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	114.5	172.7	179.5	60.5	0	0	0	110.3	I104 L109 I140 I189 Y190 G226 F230	I104-L223 HydrophobicContact CG2-CB 4.43Å; L109-L223 HydrophobicContact CB-CD1 4.44Å; L109-L223 HydrophobicContact CD2-CD1 3.76Å; L109-L223 HydrophobicContact CD2-CD2 3.76Å; L109-L223 HydrophobicContact CD2-CG 4.29Å; I140-L223 HydrophobicContact CD1-CD2 3.5Å; I189-L223 PolarHBondContact O-N 3.13Å; Y190-L223 HydrophobicContact CG-CD2 4.34Å; L223-G226 PolarHBondContact O-N 3.5Å; L223-F230 HydrophobicContact CD1-CD2 4.46Å; L223-F230 HydrophobicContact CD2-CB 3.95Å; L223-F230 HydrophobicContact CD2-CG 4.3Å
224	K	90.1	Very high	88	Confident	91 Å²	91	49.1 Å²	49.1	40%	0.396	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	143.8	174.4	-170	-167.9	-174.5	-171.2	0	110.8	F103 I104 D105 V222 G226	F103-K224 HydrophobicContact CD1-CB 4.27Å; I104-K224 PolarHBondContact O-N 2.76Å; D105-K224 WeakPolarHBondContact OD1-CD 3.43Å; D105-K224 IonicContact OD1-NZ 3.28Å; D105-K224 PolarHBondContact OD1-NZ 3.12Å; V222-K224 PolarHBondContact O-N 3.02Å; K224-G226 PolarHBondContact O-N 3.22Å; K224-G226 VanDerWaalsContact O-N 3.13Å
225	G	86	Confident	88.2	Confident	7 Å²	7	49.4 Å²	49.4	7%	0.072	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	-5.5	-173.5	0	0	0	0	0	114.7	D194 E229	D194-G225 PolarHBondContact OD1-N 2.89Å; D194-G225 WeakPolarHBondContact OD2-CA 3.46Å; D194-G225 PolarHBondContact OD2-N 3.39Å; G225-E229 WeakPolarHBondContact CA-OE2 3.32Å; G225-E229 PolarHBondContact O-N 2.92Å
226	G	89	Confident	88.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	63.1	-165.8	-173.8	0	0	0	0	0	113.7	T191 L223 K224 Q228 F230	T191-G226 WeakPolarHBondContact O-CA 3.34Å; L223-G226 PolarHBondContact O-N 3.5Å; K224-G226 PolarHBondContact O-N 3.22Å; K224-G226 VanDerWaalsContact O-N 3.13Å; G226-Q228 PolarHBondContact O-N 3.39Å; G226-F230 PolarHBondContact O-N 2.65Å
227	I	89.9	Confident	88.9	Confident	6 Å²	6	51.6 Å²	51.6	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-65.7	-28.3	176.8	-170.4	171	0	0	0	112.6	L138 I140 Y190 T191 F230 C231	L138-I227 HydrophobicContact CD2-CD1 4.42Å; L138-I227 HydrophobicContact CG-CD1 4.27Å; I140-I227 HydrophobicContact CG1-CD1 4.09Å; I140-I227 HydrophobicContact CG1-CG1 4.05Å; Y190-I227 HydrophobicContact CD2-CB 3.8Å; Y190-I227 HydrophobicContact CD2-CG2 4.47Å; Y190-I227 HydrophobicContact CE2-CB 3.83Å; Y190-I227 HydrophobicContact CE2-CD1 3.76Å; Y190-I227 HydrophobicContact CE2-CG1 4.18Å; Y190-I227 HydrophobicContact CE2-CG2 4.47Å; T191-I227 PolarHBondContact O-N 3.25Å; I227-F230 PolarHBondContact O-N 3.37Å; I227-C231 VanDerWaalsContact O-CB 3.28Å; I227-C231 WeakPolarHBondContact O-CB 3.33Å; I227-C231 PolarHBondContact O-N 3.39Å; I227-C231 PolarHBondContact O-SG 2.82Å
228	Q	86.1	Confident	89	Confident	119 Å²	119	45.9 Å²	45.9	56%	0.556	23%	0.229	S	C	*	.	H	α-helix	trans	-63.5	-45.8	-177.4	-173.6	174.2	-3.8	0	0	111.5	D192 G226 C231 N232	D192-Q228 WeakPolarHBondContact O-CB 3.44Å; D192-Q228 PolarHBondContact O-N 3.44Å; G226-Q228 PolarHBondContact O-N 3.39Å; Q228-C231 PolarHBondContact O-SG 3.43Å; Q228-N232 VanDerWaalsContact O-CG 3.23Å; Q228-N232 PolarHBondContact O-N 3.08Å; Q228-N232 PolarHBondContact O-ND2 3.02Å; Q228-N232 VanDerWaalsContact O-ND2 3.17Å; Q228-N232 PolarHBondContact O-OD1 3.31Å
229	E	89.7	Confident	88.3	Confident	89 Å²	89	46.4 Å²	46.4	42%	0.416	23%	0.231	S	C	.	.	H	α-helix	trans	-65.2	-47.6	174.3	-169.4	176.1	131.8	0	0	111.3	G225 C231 N232	G225-E229 WeakPolarHBondContact CA-OE2 3.32Å; G225-E229 PolarHBondContact O-N 2.92Å; E229-C231 VanDerWaalsContact C-N 3.3Å; E229-C231 PolarHBondContact O-N 2.97Å; E229-N232 WeakPolarHBondContact O-CB 3.43Å; E229-N232 PolarHBondContact O-N 3.17Å; E229-N232 VanDerWaalsContact O-N 3.11Å
230	F	92.1	Very high	87	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57.9	-40.6	179.9	-176.9	-93.7	0	0	0	112.8	C106 L109 A110 L113 I140 L223 G226 I227 N232 S233 Y234 L237	C106-F230 HydrophobicContact CB-CD2 4Å; C106-F230 VanDerWaalsContact SG-CA 3.57Å; L109-F230 HydrophobicContact CB-CE2 4.15Å; L109-F230 HydrophobicContact CD2-CD2 3.87Å; L109-F230 HydrophobicContact CD2-CE2 3.73Å; L109-F230 HydrophobicContact CD2-CZ 4.25Å; L109-F230 HydrophobicContact CG-CD2 4.31Å; L109-F230 HydrophobicContact CG-CE2 3.72Å; L109-F230 HydrophobicContact CG-CZ 4.23Å; A110-F230 HydrophobicContact CB-CE2 4.29Å; L113-F230 HydrophobicContact CD1-CZ 3.8Å; I140-F230 HydrophobicContact CD1-CB 4.48Å; I140-F230 HydrophobicContact CD1-CD1 3.67Å; I140-F230 HydrophobicContact CD1-CE1 4.02Å; I140-F230 HydrophobicContact CD1-CG 4Å; I140-F230 HydrophobicContact CG1-CD1 3.79Å; I140-F230 HydrophobicContact CG1-CE1 3.97Å; I140-F230 HydrophobicContact CG2-CE1 3.95Å; I140-F230 HydrophobicContact CG2-CZ 4.32Å; L223-F230 HydrophobicContact CD1-CD2 4.46Å; L223-F230 HydrophobicContact CD2-CB 3.95Å; L223-F230 HydrophobicContact CD2-CG 4.3Å; G226-F230 PolarHBondContact O-N 2.65Å; I227-F230 PolarHBondContact O-N 3.37Å; F230-N232 VanDerWaalsContact C-N 3.29Å; F230-N232 PolarHBondContact O-N 2.7Å; F230-S233 PolarHBondContact O-N 3.18Å; F230-Y234 HydrophobicContact CD2-CD2 4.04Å; F230-Y234 AromaticContact CE2-CD2 3.91Å; F230-Y234 HydrophobicContact CE2-CD2 3.91Å; F230-Y234 HydrophobicContact CE2-CG 4.11Å; F230-Y234 HydrophobicContact CZ-CG 4.27Å; F230-Y234 WeakPolarHBondContact O-CA 3.23Å; F230-Y234 WeakPolarHBondContact O-CB 3.47Å; F230-Y234 PolarHBondContact O-N 3.49Å; F230-L237 HydrophobicContact CE1-CB 4.04Å; F230-L237 HydrophobicContact CZ-CB 3.98Å; F230-L237 HydrophobicContact CZ-CD1 4.1Å
231	C	89	Confident	84.8	Confident	22 Å²	22	51 Å²	51	15%	0.149	25%	0.254	C	S	.	.	H	α-helix	trans	-73.4	-19.4	-178.3	82.9	0	0	0	0	113.8	L138 I227 Q228 E229 H235	L138-C231 HydrophobicContact CD2-CB 3.79Å; I227-C231 VanDerWaalsContact O-CB 3.28Å; I227-C231 WeakPolarHBondContact O-CB 3.33Å; I227-C231 PolarHBondContact O-N 3.39Å; I227-C231 PolarHBondContact O-SG 2.82Å; Q228-C231 PolarHBondContact O-SG 3.43Å; E229-C231 VanDerWaalsContact C-N 3.3Å; E229-C231 PolarHBondContact O-N 2.97Å; C231-H235 WeakPolarHBondContact O-CA 3.24Å; C231-H235 WeakPolarHBondContact O-CB 3.43Å; C231-H235 PolarHBondContact O-N 3.03Å
232	N	88.2	Confident	82.1	Confident	125 Å²	125	55.6 Å²	55.6	67%	0.668	28%	0.282	S	S	*	.	H	α-helix	trans	-70.2	-41.5	174.4	-67.1	-28.6	0	0	0	110.9	Q228 E229 F230	Q228-N232 VanDerWaalsContact O-CG 3.23Å; Q228-N232 PolarHBondContact O-N 3.08Å; Q228-N232 PolarHBondContact O-ND2 3.02Å; Q228-N232 VanDerWaalsContact O-ND2 3.17Å; Q228-N232 PolarHBondContact O-OD1 3.31Å; E229-N232 WeakPolarHBondContact O-CB 3.43Å; E229-N232 PolarHBondContact O-N 3.17Å; E229-N232 VanDerWaalsContact O-N 3.11Å; F230-N232 VanDerWaalsContact C-N 3.29Å; F230-N232 PolarHBondContact O-N 2.7Å
233	S	89.8	Confident	79.1	Confident	78 Å²	78	61 Å²	61	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-90.4	-37.1	-179.8	-59.1	0	0	0	0	113.2	F230	F230-S233 PolarHBondContact O-N 3.18Å
234	Y	91.7	Very high	75.9	Confident	54 Å²	54	70.6 Å²	70.6	21%	0.212	36%	0.357	C	S	.	.			trans	-123.8	40.2	-168.5	-62.4	-72.5	0	0	0	113.1	C106 D107 A110 F230 H236 L237	C106-Y234 HydrophobicContact CB-CD2 4.15Å; C106-Y234 HydrophobicContact CB-CE2 4.03Å; D107-Y234 PolarHBondContact OD1-OH 3.34Å; A110-Y234 HydrophobicContact CB-CD1 3.51Å; A110-Y234 HydrophobicContact CB-CD2 3.91Å; A110-Y234 HydrophobicContact CB-CE1 3.37Å; A110-Y234 HydrophobicContact CB-CE2 3.78Å; A110-Y234 HydrophobicContact CB-CG 3.78Å; F230-Y234 HydrophobicContact CD2-CD2 4.04Å; F230-Y234 AromaticContact CE2-CD2 3.91Å; F230-Y234 HydrophobicContact CE2-CD2 3.91Å; F230-Y234 HydrophobicContact CE2-CG 4.11Å; F230-Y234 HydrophobicContact CZ-CG 4.27Å; F230-Y234 WeakPolarHBondContact O-CA 3.23Å; F230-Y234 WeakPolarHBondContact O-CB 3.47Å; F230-Y234 PolarHBondContact O-N 3.49Å; Y234-H236 AromaticContact CD1-CE1 3.96Å; Y234-H236 PolarHBondContact O-N 3.28Å; Y234-H236 VanDerWaalsContact O-N 3.07Å; Y234-L237 HydrophobicContact CD1-CD1 4.14Å; Y234-L237 HydrophobicContact CG-CD1 4.41Å; Y234-L237 PolarHBondContact O-N 2.59Å
235	H	87.2	Confident	72.9	Confident	96 Å²	96	71.7 Å²	71.7	44%	0.444	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-49	-38	178.2	-164.3	82.4	0	0	0	114.1	C231 L237 C238 Q240	C231-H235 WeakPolarHBondContact O-CA 3.24Å; C231-H235 WeakPolarHBondContact O-CB 3.43Å; C231-H235 PolarHBondContact O-N 3.03Å; H235-L237 PolarHBondContact O-N 3.38Å; H235-C238 WeakPolarHBondContact O-CB 3.37Å; H235-C238 PolarHBondContact O-N 2.95Å; H235-Q240 PolarHBondContact CE1-NE2 3.14Å; H235-Q240 PolarHBondContact NE2-NE2 3.34Å
236	H	88	Confident	69.9	Low	130 Å²	130	79.6 Å²	79.6	60%	0.602	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-70.1	-13.7	180	66.3	-87.5	0	0	0	114.2	Q141 Y234	Q141-H236 PolarHBondContact NE2-O 3.11Å; Y234-H236 AromaticContact CD1-CE1 3.96Å; Y234-H236 PolarHBondContact O-N 3.28Å; Y234-H236 VanDerWaalsContact O-N 3.07Å
237	L	87.5	Confident	66.9	Low	13 Å²	13	85.4 Å²	85.4	7%	0.068	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-96	8.7	171.5	-57.2	-176.9	0	0	0	112.4	A110 L113 T114 Q141 F230 Y234 H235	A110-L237 HydrophobicContact CB-CD1 3.77Å; L113-L237 HydrophobicContact CB-CD1 4.21Å; L113-L237 HydrophobicContact CD1-CB 4.32Å; L113-L237 HydrophobicContact CD1-CD1 4.24Å; T114-L237 HydrophobicContact CG2-CD1 4.35Å; T114-L237 HydrophobicContact CG2-CD2 4.15Å; Q141-L237 VanDerWaalsContact CB-O 3.31Å; Q141-L237 WeakPolarHBondContact CB-O 3.45Å; Q141-L237 VanDerWaalsContact CG-O 3.25Å; Q141-L237 WeakPolarHBondContact CG-O 3.45Å; Q141-L237 PolarHBondContact N-O 3.46Å; F230-L237 HydrophobicContact CE1-CB 4.04Å; F230-L237 HydrophobicContact CZ-CB 3.98Å; F230-L237 HydrophobicContact CZ-CD1 4.1Å; Y234-L237 HydrophobicContact CD1-CD1 4.14Å; Y234-L237 HydrophobicContact CG-CD1 4.41Å; Y234-L237 PolarHBondContact O-N 2.59Å; H235-L237 PolarHBondContact O-N 3.38Å
238	C	84.1	Confident	63.9	Low	12 Å²	12	92.5 Å²	92.5	8%	0.081	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	154.4	173.1	-58.7	0	0	0	0	111.2	L138 R139 Q141 H235	L138-C238 HydrophobicContact CD1-CB 3.74Å; L138-C238 HydrophobicContact CG-CB 4.26Å; R139-C238 CarbonylContact O-C 3.47Å; R139-C238 VanDerWaalsContact O-CA 3.22Å; R139-C238 WeakPolarHBondContact O-CA 3.24Å; R139-C238 WeakPolarHBondContact O-CB 3.17Å; Q141-C238 PolarHBondContact NE2-O 3.11Å; H235-C238 WeakPolarHBondContact O-CB 3.37Å; H235-C238 PolarHBondContact O-N 2.95Å
239	E	71.7	Confident	61.2	Low	35 Å²	35	92 Å²	92	16%	0.164	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.7	171.9	-65	172.7	-158.5	0	0	109.2	R139 Q141 T142	R139-E239 HydrophobicContact CG-CB 4.03Å; R139-E239 IonicContact CZ-OE2 3.84Å; R139-E239 PolarHBondContact N-O 2.91Å; R139-E239 IonicContact NE-OE2 3.91Å; R139-E239 PolarHBondContact NE-OE2 3.36Å; R139-E239 IonicContact NH2-OE1 2.79Å; R139-E239 IonicContact NH2-OE2 3.4Å; R139-E239 PolarHBondContact NH2-OE2 2.7Å; R139-E239 PolarHBondContact O-N 2.71Å; Q141-E239 WeakPolarHBondContact CA-OE1 3.34Å; Q141-E239 HydrophobicContact CB-CG 4.41Å; Q141-E239 HydrophobicContact CG-CG 3.6Å; T142-E239 PolarHBondContact N-OE1 3.26Å
240	Q	58.5	Low	58.1	Low	102 Å²	102	94.9 Å²	94.9	48%	0.477	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-86.6	154.3	168.9	-74	-168.2	1.2	0	0	111.5	L138 H235	L138-Q240 HydrophobicContact CD1-CG 3.77Å; H235-Q240 PolarHBondContact CE1-NE2 3.14Å; H235-Q240 PolarHBondContact NE2-NE2 3.34Å
241	P	44.6	Very low	55.3	Low	41 Å²	41	103.6 Å²	103.6	27%	0.266	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-49.9	138.4	157.8	-16.2	24	0	0	0	110.5	A136 N137 T243 K359	A136-P241 WeakPolarHBondContact O-CG 3.43Å; N137-P241 WeakPolarHBondContact O-CD 3.26Å; N137-P241 WeakPolarHBondContact O-CG 3.22Å; P241-T243 PolarHBondContact O-N 3.03Å; P241-K359 HydrophobicContact CB-CD 3.98Å; P241-K359 HydrophobicContact CG-CD 4.47Å
242	L	35.7	Very low	52.4	Low	147 Å²	147	106.7 Å²	106.7	77%	0.77	58%	0.576	S	S	*	*			trans	-57.1	98.5	172	-73.6	163.4	0	0	0	109.7
243	T	29.3	Very low	49.6	Very low	115 Å²	115	109.7 Å²	109.7	71%	0.706	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-65.6	137.7	173.1	41.4	0	0	0	0	109.1	P241 S245	P241-T243 PolarHBondContact O-N 3.03Å; T243-S245 PolarHBondContact O-N 3.03Å
244	K	26.5	Very low	46.9	Very low	200 Å²	200	111.7 Å²	111.7	87%	0.87	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-50.1	125.9	-176.4	-66.3	173.1	179.3	175	0	110.2	Q246	K244-Q246 PolarHBondContact O-N 3.09Å
245	S	26.2	Very low	43.9	Very low	114 Å²	114	114.3 Å²	114.3	80%	0.797	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-51.8	122.6	166.2	50.4	0	0	0	0	109.3	T243	T243-S245 PolarHBondContact O-N 3.03Å
246	Q	24.1	Very low	41.4	Very low	173 Å²	173	115 Å²	115	81%	0.808	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-58.3	144.3	172	-73.9	-176.8	-35.9	0	0	109.9	K244 I248	K244-Q246 PolarHBondContact O-N 3.09Å; Q246-I248 PolarHBondContact O-N 3.39Å
247	P	25.7	Very low	38.6	Very low	122 Å²	122	114.9 Å²	114.9	79%	0.792	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-66.2	122.8	170	28.9	-32	0	0	0	108.5	S249	P247-S249 PolarHBondContact O-N 2.8Å
248	I	26.3	Very low	35.8	Very low	155 Å²	155	121.5 Å²	121.5	80%	0.795	67%	0.67	S	S	*	*			trans	-67.9	115.5	170	-63.4	171.1	0	0	0	106.8	Q246 D250	Q246-I248 PolarHBondContact O-N 3.39Å; I248-D250 PolarHBondContact O-N 3.01Å
249	S	29.6	Very low	33.2	Very low	109 Å²	109	126.3 Å²	126.3	76%	0.762	70%	0.695	S	S	*	*			trans	-79.5	112.4	168.5	53.7	0	0	0	0	109.3	P247 E251	P247-S249 PolarHBondContact O-N 2.8Å; S249-E251 PolarHBondContact O-N 2.9Å
250	D	25	Very low	31.1	Very low	149 Å²	149	131.5 Å²	131.5	80%	0.797	72%	0.722	S	S	*	*			trans	-62.1	126.5	161.6	-72.4	-52.3	0	0	0	109.5	I248	I248-D250 PolarHBondContact O-N 3.01Å
251	E	32.3	Very low	29.7	Very low	184 Å²	184	131.5 Å²	131.5	86%	0.86	73%	0.734	S	S	*	*			trans	-172.2	96.8	132.1	-107	-178.7	-161.4	0	0	114	S249	S249-E251 PolarHBondContact O-N 2.9Å
252	S	28.9	Very low	28.9	Very low	87 Å²	87	137.8 Å²	137.8	61%	0.608	76%	0.759	S	S	*	*				58.2	128.9	128.6	99	0	0	0	0	123.1
253	K	29.8	Very low	28.5	Very low	187 Å²	187	137.2 Å²	137.2	81%	0.813	76%	0.757	S	S	*	*			trans	110.2	128.5	136.7	-71.5	164.8	-175.1	167.3	0	121.1
254	T	31.5	Very low	28.3	Very low	121 Å²	121	139.4 Å²	139.4	74%	0.742	76%	0.759	S	S	*	*			trans	78.2	75.1	147	47.2	0	0	0	0	122.2
255	S	29.8	Very low	28.3	Very low	108 Å²	108	135.8 Å²	135.8	76%	0.755	76%	0.759	S	S	*	*				69.4	165.3	100.6	80.5	0	0	0	0	120.3
256	P	34	Very low	28.3	Very low	110 Å²	110	141.2 Å²	141.2	71%	0.714	76%	0.762	S	S	*	*				-137.1	170.2	-105	33.9	-10.7	0	0	0	116.2
257	T	29.4	Very low	28.6	Very low	128 Å²	128	137 Å²	137	79%	0.785	75%	0.745	S	S	*	*			trans	163.1	149	155.9	26	0	0	0	0	108.6
258	E	28	Very low	28.7	Very low	153 Å²	153	138.4 Å²	138.4	72%	0.715	75%	0.745	S	S	*	*			cis	-163.4	161	-20.4	-135.8	178.4	-135.2	0	0	109.9
259	N	30.1	Very low	28.8	Very low	112 Å²	112	139.8 Å²	139.8	60%	0.599	75%	0.745	S	S	*	*			trans	84.2	97.4	151.5	-59.6	-31.6	0	0	0	124.8
260	I	28.1	Very low	28.7	Very low	144 Å²	144	138.6 Å²	138.6	74%	0.738	73%	0.73	S	S	*	*				73.3	103.6	118.3	-61.9	157.4	0	0	0	120.1
261	S	28.8	Very low	28.9	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	73%	0.729	S	S	*	*				166.6	135.6	95.9	43.4	0	0	0	0	115.2
262	H	27.6	Very low	28.6	Very low	172 Å²	172	137.9 Å²	137.9	80%	0.796	72%	0.723	S	S	*	*			trans	17.1	129.3	152.6	-57.6	-81	0	0	0	120.1
263	N	27.5	Very low	28.5	Very low	136 Å²	136	137.2 Å²	137.2	73%	0.727	72%	0.723	S	S	*	*			cis	-168.8	151.5	38.7	-127.8	10.8	0	0	0	114.2
264	E	25.9	Very low	28.4	Very low	160 Å²	160	135.6 Å²	135.6	75%	0.748	72%	0.718	S	S	*	*			trans	55.1	93	154.5	-57.2	-159	140.2	0	0	122.2	R266	E264-R266 PolarHBondContact O-N 2.82Å
265	S	25	Very low	28.2	Very low	125 Å²	125	133.9 Å²	133.9	87%	0.874	71%	0.711	S	S	*	*			trans	-55.6	104.3	158.5	-50.5	0	0	0	0	114.2
266	R	26.2	Very low	28	Very low	227 Å²	227	133.2 Å²	133.2	86%	0.857	70%	0.698	S	S	*	*			trans	-160.7	142.2	156.5	-98.5	151.4	-167.2	-178.6	5.2	109.3	E264	E264-R266 PolarHBondContact O-N 2.82Å
267	N	30.2	Very low	27.7	Very low	85 Å²	85	132.1 Å²	132.1	46%	0.455	69%	0.686	S	S	.	*			trans	97.5	40.1	172	-68.8	14.2	0	0	0	121.1	D270	N267-D270 HydrophobicContact CB-CB 4.01Å; N267-D270 VanDerWaalsContact CG-OD2 3.27Å; N267-D270 WeakPolarHBondContact ND2-CB 3.24Å; N267-D270 PolarHBondContact ND2-OD2 2.84Å; N267-D270 PolarHBondContact OD1-OD2 3.37Å
268	I	29.4	Very low	27.7	Very low	151 Å²	151	129 Å²	129	77%	0.774	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-26.9	157.4	-62.4	177.4	0	0	0	111.9
269	K	27.4	Very low	27.6	Very low	185 Å²	185	124.2 Å²	124.2	80%	0.804	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-34.6	173.3	-76.8	-173.5	173.3	-177.6	0	113.6	L272	K269-L272 PolarHBondContact O-N 2.89Å
270	D	28.8	Very low	27.5	Very low	83 Å²	83	123.8 Å²	123.8	44%	0.444	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-74.8	-29	-177.8	-70.3	16.1	0	0	0	113	N267 L272 A273	N267-D270 HydrophobicContact CB-CB 4.01Å; N267-D270 VanDerWaalsContact CG-OD2 3.27Å; N267-D270 WeakPolarHBondContact ND2-CB 3.24Å; N267-D270 PolarHBondContact ND2-OD2 2.84Å; N267-D270 PolarHBondContact OD1-OD2 3.37Å; D270-L272 PolarHBondContact O-N 3.08Å; D270-A273 PolarHBondContact O-N 3.48Å
271	K	28.2	Very low	27.4	Very low	181 Å²	181	121.7 Å²	121.7	79%	0.787	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-66.9	-21.5	174.7	-75.5	-174.5	176.3	-177	0	113.5
272	L	26.6	Very low	27.3	Very low	137 Å²	137	125.3 Å²	125.3	72%	0.717	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-84.7	-13.9	175.1	-83.9	156.1	0	0	0	113.5	K269 D270	K269-L272 PolarHBondContact O-N 2.89Å; D270-L272 PolarHBondContact O-N 3.08Å
273	A	26.9	Very low	27.2	Very low	74 Å²	74	122.6 Å²	122.6	61%	0.612	64%	0.637	S	S	*	*	S	Bend	trans	-86.7	-4.3	-177.4	0	0	0	0	0	114.3	D270	D270-A273 PolarHBondContact O-N 3.48Å
274	H	27.7	Very low	27.3	Very low	153 Å²	153	128 Å²	128	71%	0.708	65%	0.647	S	S	*	*	S	Bend	trans	-97.7	-14	-168.3	-94.9	-81.8	0	0	0	116.1
275	S	26.2	Very low	27.4	Very low	85 Å²	85	125 Å²	125	59%	0.594	64%	0.643	S	S	*	*	S	Bend	trans	-93.5	-36.2	-170.8	49.4	0	0	0	0	115.3
276	L	26	Very low	27.5	Very low	94 Å²	94	130.9 Å²	130.9	49%	0.492	65%	0.646	S	S	.	*	S	Bend	trans	-137	73.7	-172	-72.5	171.1	0	0	0	112.4
277	N	27.7	Very low	27.7	Very low	86 Å²	86	129.7 Å²	129.7	46%	0.46	65%	0.647	S	S	.	*			trans	178.8	132.2	154.2	-100.5	-54.7	0	0	0	109.2	S279 G301	N277-S279 PolarHBondContact O-N 3.04Å; N277-G301 PolarHBondContact OD1-O 3.26Å
278	I	29	Very low	27.7	Very low	64 Å²	64	130 Å²	130	33%	0.328	65%	0.648	S	S	.	*			trans	-78.6	73.3	154.3	-56.9	-179	0	0	0	106.6	L280	I278-L280 HydrophobicContact CG2-CD2 4.41Å; I278-L280 PolarHBondContact O-N 3.3Å
279	S	26.1	Very low	27.6	Very low	51 Å²	51	132.8 Å²	132.8	36%	0.357	65%	0.654	S	S	.	*			trans	-61.2	106.7	161.5	-176.5	0	0	0	0	107	N277 T281	N277-S279 PolarHBondContact O-N 3.04Å; S279-T281 PolarHBondContact O-N 3.44Å
280	L	28.8	Very low	27.7	Very low	104 Å²	104	128.9 Å²	128.9	55%	0.545	64%	0.638	S	S	.	*			trans	-69.1	74.1	165.1	-73.5	174.8	0	0	0	107.8	I278 K282 L302	I278-L280 HydrophobicContact CG2-CD2 4.41Å; I278-L280 PolarHBondContact O-N 3.3Å; L280-K282 PolarHBondContact O-N 3.45Å; L280-L302 HydrophobicContact CD1-CD2 3.76Å; L280-L302 HydrophobicContact CG-CD2 4.36Å
281	T	25.8	Very low	27.6	Very low	99 Å²	99	131 Å²	131	61%	0.607	65%	0.654	S	S	*	*			trans	-54.1	125.7	168.8	48.9	0	0	0	0	107.5	S279 T283	S279-T281 PolarHBondContact O-N 3.44Å; T281-T283 PolarHBondContact O-N 2.77Å; T281-T283 PolarHBondContact O-OG1 2.84Å
282	K	26.1	Very low	27.6	Very low	180 Å²	180	125.5 Å²	125.5	78%	0.783	64%	0.637	S	S	*	*			trans	-66.5	70.8	-166.6	-70.1	170.9	177.9	163.9	0	112.6	L280	L280-K282 PolarHBondContact O-N 3.45Å
283	T	26.8	Very low	27.7	Very low	115 Å²	115	121.2 Å²	121.2	71%	0.706	62%	0.619	S	S	*	*	S	Bend	trans	-115.9	105	177.9	43.2	0	0	0	0	111.3	T281 C285	T281-T283 PolarHBondContact O-N 2.77Å; T281-T283 PolarHBondContact O-OG1 2.84Å; T283-C285 PolarHBondContact O-N 3.45Å; T283-C285 VanDerWaalsContact O-N 3.07Å
284	R	29.3	Very low	27.9	Very low	249 Å²	249	120.3 Å²	120.3	94%	0.94	61%	0.607	S	S	*	*	S	Bend	trans	66.5	-12.8	165.1	-75.2	-179.5	165	174.2	-5.4	121.1	R286	R284-R286 PolarHBondContact O-N 3.14Å
285	C	28.1	Very low	28.2	Very low	98 Å²	98	117.6 Å²	117.6	66%	0.662	60%	0.597	S	S	*	*			trans	-93.5	82.8	171	-112.1	0	0	0	0	113.3	T283 K287	T283-C285 PolarHBondContact O-N 3.45Å; T283-C285 VanDerWaalsContact O-N 3.07Å; C285-K287 PolarHBondContact O-N 2.81Å
286	R	27.1	Very low	28.5	Very low	248 Å²	248	117.6 Å²	117.6	94%	0.936	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	10.9	-174.6	-76.2	-173.9	173.8	174.8	-2	116.3	R284	R284-R286 PolarHBondContact O-N 3.14Å
287	K	30.3	Very low	29	Very low	202 Å²	202	113.4 Å²	113.4	88%	0.878	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125	-1.2	-166.6	-76.1	-165.7	174.4	-173.7	0	117.9	C285	C285-K287 PolarHBondContact O-N 2.81Å
288	L	29.9	Very low	29.2	Very low	90 Å²	90	110.4 Å²	110.4	47%	0.471	55%	0.553	S	S	.	*			trans	-130.2	110.8	-178.1	-67.6	168	0	0	0	110.9	Q170 F290	Q170-L288 HydrophobicContact CB-CD1 4.15Å; Q170-L288 VanDerWaalsContact OE1-CD2 3.23Å; L288-F290 HydrophobicContact CB-CD2 4.12Å; L288-F290 HydrophobicContact CB-CE2 3.93Å; L288-F290 HydrophobicContact CD1-CE2 4.2Å; L288-F290 HydrophobicContact CD2-CE2 4.03Å; L288-F290 HydrophobicContact CD2-CZ 4.45Å; L288-F290 HydrophobicContact CG-CE2 4.26Å
289	K	26.2	Very low	29.3	Very low	210 Å²	210	109 Å²	109	91%	0.913	55%	0.554	S	S	*	*			trans	-95.2	116.1	163	-77.8	-176.2	174.2	-175.8	0	107.2
290	F	30.6	Very low	29.7	Very low	103 Å²	103	108.6 Å²	108.6	45%	0.452	55%	0.548	S	S	.	.			trans	-112.3	131.3	168.9	-79.9	-78.6	0	0	0	109.5	A167 L288 L302	A167-F290 HydrophobicContact CB-CD1 4.05Å; A167-F290 HydrophobicContact CB-CD2 4.29Å; A167-F290 HydrophobicContact CB-CE1 3.5Å; A167-F290 HydrophobicContact CB-CE2 3.77Å; A167-F290 HydrophobicContact CB-CG 4.42Å; A167-F290 HydrophobicContact CB-CZ 3.36Å; L288-F290 HydrophobicContact CB-CD2 4.12Å; L288-F290 HydrophobicContact CB-CE2 3.93Å; L288-F290 HydrophobicContact CD1-CE2 4.2Å; L288-F290 HydrophobicContact CD2-CE2 4.03Å; L288-F290 HydrophobicContact CD2-CZ 4.45Å; L288-F290 HydrophobicContact CG-CE2 4.26Å; F290-L302 VanDerWaalsContact O-CD1 3.22Å; F290-L302 WeakPolarHBondContact O-CD1 3.12Å
291	T	26.3	Very low	29.7	Very low	129 Å²	129	105.3 Å²	105.3	79%	0.791	54%	0.538	S	S	*	.			trans	-118.8	112.5	169.6	46.1	0	0	0	0	106.5
292	C	29.3	Very low	29.8	Very low	64 Å²	64	105.1 Å²	105.1	43%	0.432	53%	0.533	S	S	.	.			trans	-126.3	132.4	178.6	-131.5	0	0	0	0	108.5
293	S	28.5	Very low	29.8	Very low	47 Å²	47	99.8 Å²	99.8	33%	0.329	52%	0.519	S	S	.	.			trans	-70	129.8	-174.2	-47.1	0	0	0	0	110.8	I295	S293-I295 PolarHBondContact O-N 3.13Å; S293-I295 VanDerWaalsContact O-N 3.13Å
294	P	30	Very low	29.9	Very low	56 Å²	56	98.9 Å²	98.9	36%	0.364	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-69.9	-10.5	-176.4	27.4	-34.8	0	0	0	114.1	L296 L297 V350	P294-L296 PolarHBondContact O-N 2.84Å; P294-L296 VanDerWaalsContact O-N 3.08Å; P294-L297 PolarHBondContact O-N 3.35Å; P294-V350 HydrophobicContact CG-CG2 4.33Å
295	I	34.3	Very low	29.7	Very low	96 Å²	96	89.5 Å²	89.5	49%	0.492	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-64	-16.4	-169.7	-65	167.9	0	0	0	114.1	S293	S293-I295 PolarHBondContact O-N 3.13Å; S293-I295 VanDerWaalsContact O-N 3.13Å
296	L	33.5	Very low	29.5	Very low	85 Å²	85	90.6 Å²	90.6	45%	0.445	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-121.9	5.8	178.3	-74.6	168.3	0	0	0	114	V160 P294	V160-L296 HydrophobicContact CG2-CD1 3.9Å; P294-L296 PolarHBondContact O-N 2.84Å; P294-L296 VanDerWaalsContact O-N 3.08Å
297	L	36.1	Very low	29.5	Very low	6 Å²	6	83.3 Å²	83.3	3%	0.031	50%	0.496	C	S	.	.			trans	-145.5	82.2	-168.1	-74.3	159.1	0	0	0	112.5	I144 V160 P294 G299 L300	I144-L297 HydrophobicContact CG2-CD2 3.38Å; V160-L297 HydrophobicContact CG1-CD1 3.37Å; V160-L297 HydrophobicContact CG1-CD2 4.45Å; V160-L297 HydrophobicContact CG1-CG 3.94Å; P294-L297 PolarHBondContact O-N 3.35Å; L297-G299 PolarHBondContact O-N 3.04Å; L297-L300 HydrophobicContact CB-CD1 4.15Å; L297-L300 HydrophobicContact CD1-CD1 3.71Å; L297-L300 HydrophobicContact CD2-CD1 4.16Å; L297-L300 HydrophobicContact CG-CD1 4.23Å; L297-L300 PolarHBondContact O-N 3.23Å
298	P	30.9	Very low	29.2	Very low	23 Å²	23	83 Å²	83	15%	0.149	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	100.5	166.8	-23.3	35.3	0	0	0	111.1	L132 R139 G145 P358	L132-P298 HydrophobicContact CD1-CG 4.3Å; R139-P298 PolarHBondContact NH1-O 3.35Å; G145-P298 PolarHBondContact N-O 2.86Å; G145-P298 WeakPolarHBondContact O-CD 3.43Å; P298-P358 HydrophobicContact CB-CG 4.19Å; P298-P358 HydrophobicContact CG-CG 4.31Å
299	G	31.2	Very low	29	Very low	34 Å²	34	87 Å²	87	35%	0.351	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	141	-11.3	178.9	0	0	0	0	0	116.3	L297	L297-G299 PolarHBondContact O-N 3.04Å
300	L	33.9	Very low	28.8	Very low	43 Å²	43	86.2 Å²	86.2	23%	0.225	51%	0.51	C	S	.	.			trans	-106.2	57.6	-177.9	-75.7	163.7	0	0	0	113.4	I144 Y164 L297 L302	I144-L300 HydrophobicContact CD1-CD1 4.35Å; Y164-L300 HydrophobicContact CD2-CD1 3.72Å; Y164-L300 HydrophobicContact CD2-CD2 4.48Å; Y164-L300 HydrophobicContact CE2-CD1 3.86Å; Y164-L300 HydrophobicContact CE2-CD2 3.95Å; L297-L300 HydrophobicContact CB-CD1 4.15Å; L297-L300 HydrophobicContact CD1-CD1 3.71Å; L297-L300 HydrophobicContact CD2-CD1 4.16Å; L297-L300 HydrophobicContact CG-CD1 4.23Å; L297-L300 PolarHBondContact O-N 3.23Å; L300-L302 PolarHBondContact O-N 2.87Å
301	G	28.7	Very low	28.5	Very low	34 Å²	34	87.3 Å²	87.3	35%	0.351	53%	0.527	S	S	.	.			trans	-76	114.3	168.2	0	0	0	0	0	111.8	N277	N277-G301 PolarHBondContact OD1-O 3.26Å
302	L	27.9	Very low	28.3	Very low	96 Å²	96	88.7 Å²	88.7	50%	0.503	53%	0.528	S	S	.	.			trans	-92.1	101.2	170.3	-77.4	170.3	0	0	0	109.9	L280 F290 L300 A304	L280-L302 HydrophobicContact CD1-CD2 3.76Å; L280-L302 HydrophobicContact CG-CD2 4.36Å; F290-L302 VanDerWaalsContact O-CD1 3.22Å; F290-L302 WeakPolarHBondContact O-CD1 3.12Å; L300-L302 PolarHBondContact O-N 2.87Å; L302-A304 PolarHBondContact O-N 3.11Å; L302-A304 VanDerWaalsContact O-N 3.1Å
303	S	27.5	Very low	27.9	Very low	67 Å²	67	96.9 Å²	96.9	47%	0.469	55%	0.55	S	S	.	*			trans	-66.7	105.7	171.9	178.1	0	0	0	0	111.1	G305	S303-G305 VanDerWaalsContact C-N 3.34Å; S303-G305 PolarHBondContact O-N 3.45Å; S303-G305 VanDerWaalsContact O-N 3.08Å
304	A	28.3	Very low	27.7	Very low	97 Å²	97	102.4 Å²	102.4	80%	0.802	58%	0.575	S	S	*	*			trans	-78.4	81.5	169.4	0	0	0	0	0	110.2	L302 S306	L302-A304 PolarHBondContact O-N 3.11Å; L302-A304 VanDerWaalsContact O-N 3.1Å; A304-S306 PolarHBondContact O-N 2.87Å
305	G	25.7	Very low	27.5	Very low	52 Å²	52	108.2 Å²	108.2	54%	0.536	60%	0.597	S	S	.	*			trans	-59.9	119.4	175.7	0	0	0	0	0	112.2	S303 T307	S303-G305 VanDerWaalsContact C-N 3.34Å; S303-G305 PolarHBondContact O-N 3.45Å; S303-G305 VanDerWaalsContact O-N 3.08Å; G305-T307 PolarHBondContact O-N 2.73Å
306	S	24.2	Very low	27	Very low	121 Å²	121	110.6 Å²	110.6	85%	0.846	61%	0.61	S	S	*	*			trans	-54.9	125.6	-179.4	54.3	0	0	0	0	112.8	A304	A304-S306 PolarHBondContact O-N 2.87Å
307	T	26.5	Very low	26.6	Very low	94 Å²	94	112.6 Å²	112.6	58%	0.577	63%	0.632	S	S	*	*			trans	-126.4	116.1	162.9	47.6	0	0	0	0	109	G305 H309	G305-T307 PolarHBondContact O-N 2.73Å; T307-H309 PolarHBondContact O-N 2.83Å
308	E	22.6	Very low	25.9	Very low	195 Å²	195	118.5 Å²	118.5	91%	0.911	67%	0.668	S	S	*	*			trans	-53.5	131.6	175.7	-58.3	178.6	136.9	0	0	111.2
309	H	26.7	Very low	25.7	Very low	174 Å²	174	127.5 Å²	127.5	81%	0.806	71%	0.705	S	S	*	*			trans	-128.1	110.9	164.9	-87.7	-68	0	0	0	109.9	T307	T307-H309 PolarHBondContact O-N 2.83Å
310	K	22.8	Very low	25.3	Very low	194 Å²	194	134.7 Å²	134.7	84%	0.843	73%	0.729	S	S	*	*			trans	-60.8	139.4	166.9	-73.4	-179.7	176.2	177.4	0	109.6
311	P	22.9	Very low	24.9	Very low	126 Å²	126	137.7 Å²	137.7	82%	0.818	75%	0.754	S	S	*	*			trans	-79.3	135.1	179.8	32	-33.7	0	0	0	111
312	I	23.5	Very low	24.8	Very low	158 Å²	158	140.8 Å²	140.8	81%	0.81	77%	0.77	S	S	*	*			trans	-126.6	109.7	162.1	-61.7	-179.5	0	0	0	107.6
313	R	20.1	Very low	24.7	Very low	237 Å²	237	144.6 Å²	144.6	89%	0.894	79%	0.785	S	S	*	*			trans	-72.8	142.1	161.4	-69.1	176.6	170.9	178.5	-3.5	108
314	L	24.8	Very low	24.7	Very low	162 Å²	162	149.5 Å²	149.5	85%	0.848	81%	0.805	S	S	*	*			trans	-165	129.7	139.7	-106.1	154.9	0	0	0	113.2
315	H	24.4	Very low	24.6	Very low	178 Å²	178	148.8 Å²	148.8	82%	0.824	80%	0.799	S	S	*	*			trans	-14.1	150	172.5	-96.7	-108.4	0	0	0	123.8
316	N	23.7	Very low	24.6	Very low	146 Å²	146	152.1 Å²	152.1	78%	0.781	81%	0.814	S	S	*	*			trans	-49.3	142.1	162.4	-60.7	-26.8	0	0	0	114.5
317	S	25.6	Very low	24.7	Very low	127 Å²	127	150.8 Å²	150.8	89%	0.888	81%	0.81	S	S	*	*				-162.6	145.7	127.3	-88.6	0	0	0	0	113.6
318	V	22.4	Very low	24.6	Very low	131 Å²	131	154.4 Å²	154.4	79%	0.794	82%	0.824	S	S	*	*			trans	-77.6	141.6	-178.6	173.4	0	0	0	0	111.5
319	K	26.6	Very low	24.7	Very low	212 Å²	212	152 Å²	152	92%	0.922	82%	0.816	S	S	*	*			trans	-170.1	153.9	136.3	-104.9	159.8	-172.6	-178.3	0	113.8
320	Q	22.6	Very low	24.6	Very low	184 Å²	184	150.7 Å²	150.7	86%	0.86	82%	0.815	S	S	*	*			trans	-93.7	147.2	-170.4	-60.1	158.5	-45	0	0	113
321	S	26.1	Very low	24.7	Very low	107 Å²	107	151 Å²	151	75%	0.748	81%	0.811	S	S	*	*			trans	178	112.5	139.1	45.3	0	0	0	0	108.2
322	S	24.7	Very low	24.8	Very low	99 Å²	99	154.1 Å²	154.1	69%	0.692	81%	0.808	S	S	*	*				65.7	92.3	71.5	75.1	0	0	0	0	114.7
323	H	26.9	Very low	24.8	Very low	175 Å²	175	152 Å²	152	81%	0.81	81%	0.807	S	S	*	*				163.8	156.6	115.2	-98.6	-85.1	0	0	0	113.6
324	L	27.5	Very low	25	Very low	170 Å²	170	146 Å²	146	89%	0.89	80%	0.801	S	S	*	*			trans	73.2	132.4	170.4	-57.4	154.4	0	0	0	117.2
325	A	26.4	Very low	24.9	Very low	82 Å²	82	144.9 Å²	144.9	68%	0.678	80%	0.801	S	S	*	*			cis	-156.7	120.8	-23.3	0	0	0	0	0	110
326	S	25.1	Very low	25	Very low	123 Å²	123	141.2 Å²	141.2	86%	0.86	80%	0.802	S	S	*	*			trans	8.1	123.5	132.3	-42.7	0	0	0	0	119.3
327	A	25.8	Very low	24.9	Very low	92 Å²	92	142.4 Å²	142.4	76%	0.76	81%	0.808	S	S	*	*				176.4	106.6	116.5	0	0	0	0	0	113.5
328	I	26.2	Very low	24.9	Very low	170 Å²	170	144.2 Å²	144.2	87%	0.872	80%	0.8	S	S	*	*				153.7	115.5	127.1	-77.5	161.5	0	0	0	108.3
329	I	24.4	Very low	25.1	Very low	145 Å²	145	143.6 Å²	143.6	74%	0.744	80%	0.797	S	S	*	*			trans	-138.6	149.8	-172.9	-91.4	176.8	0	0	0	108.1
330	N	24.6	Very low	25	Very low	146 Å²	146	141 Å²	141	78%	0.781	79%	0.788	S	S	*	*			trans	72.7	143.2	172.9	-62.2	-26.4	0	0	0	115.9
331	R	24.7	Very low	25.2	Very low	200 Å²	200	141.5 Å²	141.5	76%	0.755	79%	0.787	S	S	*	*			cis	-153	165.7	43	-64.2	179.1	-173.2	-161.7	4.9	116.4
332	Y	25.1	Very low	25.4	Very low	193 Å²	193	143.1 Å²	143.1	76%	0.757	78%	0.783	S	S	*	*			trans	89.3	95.6	155.4	-65.8	-61.5	0	0	0	119.8
333	S	22.5	Very low	25.5	Very low	114 Å²	114	147.3 Å²	147.3	80%	0.797	78%	0.784	S	S	*	*			trans	-67.8	146.9	161	-18.8	0	0	0	0	112.7
334	S	25.2	Very low	25.5	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	77%	0.774	S	S	*	*				-171	130.3	128.3	31.3	0	0	0	0	113.1
335	T	23.2	Very low	25.6	Very low	139 Å²	139	142.1 Å²	142.1	85%	0.853	76%	0.763	S	S	*	*			trans	46.1	99	147.5	57.9	0	0	0	0	120.9
336	A	24.9	Very low	25.7	Very low	102 Å²	102	141.9 Å²	141.9	84%	0.843	76%	0.761	S	S	*	*				-166.5	124.6	125.1	0	0	0	0	0	110.9
337	N	23.2	Very low	25.8	Very low	170 Å²	170	143.9 Å²	143.9	91%	0.909	76%	0.756	S	S	*	*			trans	-90.7	116.4	172.7	-67.2	-41.6	0	0	0	109.7
338	F	25.2	Very low	26.1	Very low	165 Å²	165	144.1 Å²	144.1	72%	0.724	74%	0.74	S	S	*	*			trans	-152.3	153	150.3	-152.9	-108	0	0	0	111.5	I77 E340	I77-F338 HydrophobicContact CD1-CE1 4.45Å; F338-E340 PolarHBondContact O-N 3.25Å; F338-E340 VanDerWaalsContact O-N 3.13Å
339	V	25.6	Very low	26.1	Very low	119 Å²	119	141.1 Å²	141.1	72%	0.721	73%	0.733	S	S	*	*			trans	-79	98	-163.5	179.8	0	0	0	0	111.7	K341	V339-K341 PolarHBondContact O-N 2.87Å
340	E	26.2	Very low	26.4	Very low	158 Å²	158	138.1 Å²	138.1	74%	0.738	72%	0.722	S	S	*	*			trans	-87	79.5	173.5	-160.8	176.3	-162.2	0	0	111	F338 Q342	F338-E340 PolarHBondContact O-N 3.25Å; F338-E340 VanDerWaalsContact O-N 3.13Å; E340-Q342 PolarHBondContact O-N 3.11Å
341	K	26.4	Very low	26.7	Very low	193 Å²	193	135.2 Å²	135.2	84%	0.839	71%	0.709	S	S	*	*			trans	-72.9	81.5	164.1	-100.7	-169.7	174.7	-174.8	0	109	V339	V339-K341 PolarHBondContact O-N 2.87Å
342	Q	29.1	Very low	27	Very low	142 Å²	142	133.8 Å²	133.8	66%	0.664	72%	0.716	S	S	*	*			trans	-65.1	131.5	-177.8	-158.2	168.6	57.5	0	0	110.9	E340 N344	E340-Q342 PolarHBondContact O-N 3.11Å; Q342-N344 PolarHBondContact O-N 2.89Å; Q342-N344 VanDerWaalsContact O-N 3.08Å
343	W	28.2	Very low	27.6	Very low	187 Å²	187	131.4 Å²	131.4	71%	0.708	72%	0.717	S	S	*	*			trans	-68.1	104.7	-179.5	-73	76.2	0	0	0	110.7	L345 L474	W343-L345 VanDerWaalsContact C-N 3.26Å; W343-L345 PolarHBondContact O-N 2.72Å; W343-L474 HydrophobicContact CZ3-CD2 4.48Å
344	N	25.4	Very low	28.3	Very low	112 Å²	112	128.4 Å²	128.4	60%	0.599	69%	0.692	S	S	*	*			trans	-72	81.8	170.8	-91.3	-26.5	0	0	0	110.7	Q342 A346 E347	Q342-N344 PolarHBondContact O-N 2.89Å; Q342-N344 VanDerWaalsContact O-N 3.08Å; N344-A346 PolarHBondContact O-N 2.84Å; N344-E347 PolarHBondContact O-N 3Å; N344-E347 VanDerWaalsContact O-N 3.11Å
345	L	30.1	Very low	28.8	Very low	124 Å²	124	125.5 Å²	125.5	65%	0.649	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-55.3	-8	170.6	-92.5	147.8	0	0	0	114.3	W343 F348	W343-L345 VanDerWaalsContact C-N 3.26Å; W343-L345 PolarHBondContact O-N 2.72Å; L345-F348 HydrophobicContact CD2-CD2 4.39Å
346	A	27.8	Very low	29	Very low	77 Å²	77	123 Å²	123	64%	0.636	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-75.4	-13.2	173.9	0	0	0	0	0	114.8	N344	N344-A346 PolarHBondContact O-N 2.84Å
347	E	29.1	Very low	29.6	Very low	165 Å²	165	120.4 Å²	120.4	77%	0.771	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-84.7	-6.3	176.1	-75.6	177.5	145.8	0	0	113.6	N344 C349	N344-E347 PolarHBondContact O-N 3Å; N344-E347 VanDerWaalsContact O-N 3.11Å; E347-C349 PolarHBondContact O-N 2.93Å
348	F	31.3	Very low	30.3	Very low	96 Å²	96	115.3 Å²	115.3	42%	0.421	62%	0.621	S	S	.	*			trans	-79.6	61.5	174.7	-73.7	-89.4	0	0	0	112.3	L345 V350	L345-F348 HydrophobicContact CD2-CD2 4.39Å; F348-V350 PolarHBondContact O-N 2.97Å
349	C	26.2	Very low	31	Very low	108 Å²	108	110.2 Å²	110.2	73%	0.73	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-71.2	119.8	172.6	-71.5	0	0	0	0	110.9	E347	E347-C349 PolarHBondContact O-N 2.93Å
350	V	29.9	Very low	32.2	Very low	82 Å²	82	106.4 Å²	106.4	50%	0.497	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-65.6	131	165.4	178.6	0	0	0	0	108.1	P294 F348 D354	P294-V350 HydrophobicContact CG-CG2 4.33Å; F348-V350 PolarHBondContact O-N 2.97Å; V350-D354 HydrophobicContact CG1-CB 3.88Å
351	T	32.5	Very low	33.5	Very low	85 Å²	85	100.8 Å²	100.8	52%	0.521	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-84.5	152.3	171.1	53.9	0	0	0	0	110.2	N353 D354	T351-N353 PolarHBondContact O-N 3.05Å; T351-D354 PolarHBondContact O-N 3.34Å
352	D	30.6	Very low	35.1	Very low	169 Å²	169	96.4 Å²	96.4	90%	0.904	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	3.2	-176.2	-63.6	-52.1	0	0	0	115
353	N	36.9	Very low	36.8	Very low	144 Å²	144	97.9 Å²	97.9	77%	0.77	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	5.3	-178.8	-66	-25.3	0	0	0	113.9	T351 P355	T351-N353 PolarHBondContact O-N 3.05Å; N353-P355 WeakPolarHBondContact O-CD 3.04Å
354	D	38	Very low	38.8	Very low	50 Å²	50	89.5 Å²	89.5	27%	0.267	50%	0.499	S	S	.	.			trans	-80.3	115.2	179.8	-160.7	11.4	0	0	0	111.3	V350 T351 G356 S485	V350-D354 HydrophobicContact CG1-CB 3.88Å; T351-D354 PolarHBondContact O-N 3.34Å; D354-G356 PolarHBondContact O-N 3.46Å; D354-S485 WeakPolarHBondContact OD1-CB 3.26Å; D354-S485 PolarHBondContact OD1-OG 3.27Å
355	P	34.3	Very low	41.7	Very low	49 Å²	49	90.9 Å²	90.9	32%	0.318	50%	0.502	S	S	.	.			trans	-70.1	103.7	-176.9	27.7	-33.9	0	0	0	111.5	N353 D357 S485 V486	N353-P355 WeakPolarHBondContact O-CD 3.04Å; P355-D357 VanDerWaalsContact C-N 3.35Å; P355-D357 PolarHBondContact O-N 3.12Å; P355-S485 WeakPolarHBondContact CD-OG 3.3Å; P355-V486 HydrophobicContact CG-CG1 4.06Å
356	G	28.9	Very low	44.8	Very low	86 Å²	86	85.5 Å²	85.5	89%	0.887	47%	0.474	S	S	*	.			trans	-75.6	65	-173.3	0	0	0	0	0	116.6	D354	D354-G356 PolarHBondContact O-N 3.46Å
357	D	35.9	Very low	48.1	Very low	48 Å²	48	82.4 Å²	82.4	26%	0.257	45%	0.448	S	S	.	.			trans	-155	129.4	154.2	-172.1	-24.2	0	0	0	108.7	P355 K359 D360	P355-D357 VanDerWaalsContact C-N 3.35Å; P355-D357 PolarHBondContact O-N 3.12Å; D357-K359 PolarHBondContact O-N 3.4Å; D357-K359 WeakPolarHBondContact OD1-CB 3.47Å; D357-K359 PolarHBondContact OD1-N 3.27Å; D357-D360 HydrophobicContact CB-CB 4.31Å; D357-D360 PolarHBondContact O-N 3.01Å
358	P	38.2	Very low	51.4	Low	63 Å²	63	81.5 Å²	81.5	41%	0.409	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-50.2	-22.5	169.2	-28.8	35.9	0	0	0	115.2	P298	P298-P358 HydrophobicContact CB-CG 4.19Å; P298-P358 HydrophobicContact CG-CG 4.31Å
359	K	39.7	Very low	54.5	Low	58 Å²	58	77 Å²	77	25%	0.252	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-77.3	-22.4	174.3	-68.8	156.3	179.5	172.6	0	113.7	A136 P241 D357 I361	A136-K359 HydrophobicContact CB-CG 4.44Å; A136-K359 WeakPolarHBondContact O-CE 3.12Å; A136-K359 PolarHBondContact O-NZ 3.34Å; P241-K359 HydrophobicContact CB-CD 3.98Å; P241-K359 HydrophobicContact CG-CD 4.47Å; D357-K359 PolarHBondContact O-N 3.4Å; D357-K359 WeakPolarHBondContact OD1-CB 3.47Å; D357-K359 PolarHBondContact OD1-N 3.27Å; K359-I361 VanDerWaalsContact C-N 3.27Å; K359-I361 PolarHBondContact O-N 3.47Å
360	D	51.5	Low	57.9	Low	38 Å²	38	72 Å²	72	20%	0.203	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-85.8	5.9	178.9	-79.9	-6.9	0	0	0	113.4	D357 F362 R363 A364	D357-D360 HydrophobicContact CB-CB 4.31Å; D357-D360 PolarHBondContact O-N 3.01Å; D360-F362 PolarHBondContact O-N 3Å; D360-R363 HydrophobicContact CB-CB 4.22Å; D360-R363 CarbonylContact O-C 3.58Å; D360-R363 WeakPolarHBondContact O-CA 3.47Å; D360-R363 WeakPolarHBondContact O-CB 3.28Å; D360-R363 PolarHBondContact O-N 3.41Å; D360-R363 VanDerWaalsContact OD1-CD 3.28Å; D360-R363 WeakPolarHBondContact OD1-CD 3.41Å; D360-R363 IonicContact OD1-CZ 3.84Å; D360-R363 IonicContact OD1-NE 3.98Å; D360-R363 PolarHBondContact OD1-NE 3.4Å; D360-R363 IonicContact OD1-NH1 2.72Å; D360-R363 PolarHBondContact OD1-NH1 3.43Å; D360-R363 IonicContact OD2-NH1 2.7Å; D360-R363 PolarHBondContact OD2-NH1 3.13Å; D360-A364 PolarHBondContact O-N 3.21Å
361	I	53.3	Low	61	Low	41 Å²	41	71.9 Å²	71.9	21%	0.21	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-54.9	-34.7	170	-108	164.9	0	0	0	112.6	K359 A452 V454 V486	K359-I361 VanDerWaalsContact C-N 3.27Å; K359-I361 PolarHBondContact O-N 3.47Å; I361-A452 HydrophobicContact CG2-CB 4Å; I361-V454 HydrophobicContact CB-CG2 4.38Å; I361-V454 HydrophobicContact CD1-CG2 3.88Å; I361-V454 HydrophobicContact CG1-CG2 3.78Å; I361-V454 HydrophobicContact CG2-CG2 3.75Å; I361-V486 HydrophobicContact CG1-CB 3.84Å; I361-V486 HydrophobicContact CG1-CG1 4.03Å; I361-V486 HydrophobicContact CG1-CG2 4.46Å
362	F	60.9	Low	64.1	Low	101 Å²	101	68.7 Å²	68.7	44%	0.443	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-81.2	-12.7	174.1	-68.9	-80.2	0	0	0	113.6	D360 N377 Q451 A452	D360-F362 PolarHBondContact O-N 3Å; F362-N377 PolarHBondContact O-ND2 3.33Å; F362-Q451 HydrophobicContact CE1-CG 4.43Å; F362-A452 HydrophobicContact CD1-CB 4.42Å; F362-A452 HydrophobicContact CE1-CB 3.83Å; F362-A452 HydrophobicContact CZ-CB 4.01Å
363	R	64.1	Low	67.3	Low	172 Å²	172	60.7 Å²	60.7	65%	0.649	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-12.7	172	-63.5	-163.3	-175.8	130.9	4.6	113.6	D360 E365	D360-R363 HydrophobicContact CB-CB 4.22Å; D360-R363 CarbonylContact O-C 3.58Å; D360-R363 WeakPolarHBondContact O-CA 3.47Å; D360-R363 WeakPolarHBondContact O-CB 3.28Å; D360-R363 PolarHBondContact O-N 3.41Å; D360-R363 VanDerWaalsContact OD1-CD 3.28Å; D360-R363 WeakPolarHBondContact OD1-CD 3.41Å; D360-R363 IonicContact OD1-CZ 3.84Å; D360-R363 IonicContact OD1-NE 3.98Å; D360-R363 PolarHBondContact OD1-NE 3.4Å; D360-R363 IonicContact OD1-NH1 2.72Å; D360-R363 PolarHBondContact OD1-NH1 3.43Å; D360-R363 IonicContact OD2-NH1 2.7Å; D360-R363 PolarHBondContact OD2-NH1 3.13Å; R363-E365 PolarHBondContact O-N 2.93Å
364	A	70.5	Confident	70.3	Confident	11 Å²	11	54 Å²	54	9%	0.091	29%	0.285	C	S	.	.	S	Bend	trans	-58.9	107.8	178.1	0	0	0	0	0	110.8	D360 R484 V486	D360-A364 PolarHBondContact O-N 3.21Å; A364-R484 PolarHBondContact O-NH1 3.28Å; A364-R484 PolarHBondContact O-NH2 3.33Å; A364-V486 HydrophobicContact CB-CB 4.38Å; A364-V486 HydrophobicContact CB-CG1 3.83Å; A364-V486 HydrophobicContact CB-CG2 3.63Å
365	E	86	Confident	73.2	Confident	141 Å²	141	51.7 Å²	51.7	66%	0.659	27%	0.272	S	S	*	.			trans	-56.1	148	-171.4	-57	-166.8	155.3	0	0	113.1	R363 S367 R484	R363-E365 PolarHBondContact O-N 2.93Å; E365-S367 PolarHBondContact O-N 2.85Å; E365-S367 PolarHBondContact O-OG 3.24Å; E365-R484 PolarHBondContact O-NH1 3.42Å
366	I	95.7	Very high	76.1	Confident	12 Å²	12	49.3 Å²	49.3	6%	0.062	26%	0.257	C	S	.	.			trans	-42.5	125.5	168.5	-172.2	177.1	0	0	0	112	Y374 D380 I386 Y390 I392 L447	I366-Y374 HydrophobicContact CD1-CD1 4.13Å; I366-Y374 HydrophobicContact CD1-CG 4.18Å; I366-Y374 HydrophobicContact CG1-CD1 4.05Å; I366-Y374 HydrophobicContact CG1-CG 4.36Å; I366-D380 HydrophobicContact CB-CB 4.18Å; I366-D380 PolarHBondContact N-OD1 2.97Å; I366-I386 HydrophobicContact CB-CG2 4.31Å; I366-I386 HydrophobicContact CD1-CG2 4.13Å; I366-I386 HydrophobicContact CG2-CG2 3.76Å; I366-Y390 HydrophobicContact CD1-CD2 4.21Å; I366-Y390 HydrophobicContact CD1-CG 4.47Å; I366-Y390 HydrophobicContact CG2-CD2 3.56Å; I366-Y390 HydrophobicContact CG2-CE1 4.38Å; I366-Y390 HydrophobicContact CG2-CE2 3.18Å; I366-Y390 HydrophobicContact CG2-CG 4.33Å; I366-I392 HydrophobicContact CD1-CD1 4.39Å; I366-L447 HydrophobicContact CD1-CD1 3.86Å; I366-L447 HydrophobicContact CD1-CD2 4.35Å; I366-L447 HydrophobicContact CG1-CD1 4.08Å
367	S	96.3	Very high	79.1	Confident	11 Å²	11	45.3 Å²	45.3	8%	0.077	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.5	-166.5	-42.3	0	0	0	0	110.2	E365 I369 Y374 L375 R483 R484	E365-S367 PolarHBondContact O-N 2.85Å; E365-S367 PolarHBondContact O-OG 3.24Å; S367-I369 PolarHBondContact O-N 3.32Å; S367-Y374 WeakPolarHBondContact O-CA 3.19Å; S367-L375 PolarHBondContact N-O 2.81Å; S367-L375 PolarHBondContact O-N 2.98Å; S367-R483 WeakPolarHBondContact CB-O 3.38Å; S367-R484 WeakPolarHBondContact OG-CB 3.3Å; S367-R484 WeakPolarHBondContact OG-CG 3.21Å; S367-R484 PolarHBondContact OG-NH1 3.4Å; S367-R484 VanDerWaalsContact OG-NH1 3.07Å
368	R	97.7	Very high	81.8	Confident	146 Å²	146	45.3 Å²	45.3	55%	0.551	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	118.8	177.1	-173.8	-177.2	-76.4	174.7	-2.9	110	F370 Y374 R483	R368-F370 VanDerWaalsContact CG-O 3.24Å; R368-F370 WeakPolarHBondContact CG-O 3.49Å; R368-Y374 HydrophobicContact CB-CD1 3.87Å; R368-Y374 HydrophobicContact CB-CE1 3.61Å; R368-Y374 HydrophobicContact CG-CD1 4.31Å; R368-Y374 HydrophobicContact CG-CE1 3.88Å; R368-Y374 PolarHBondContact NE-OH 3.41Å; R368-Y374 VanDerWaalsContact NE-OH 3.08Å; R368-Y374 PolarHBondContact NH2-OH 3.28Å; R368-R483 WeakPolarHBondContact O-CD 3.27Å
369	I	97.8	Very high	84.3	Confident	2 Å²	2	49 Å²	49	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-50.3	174.5	-54.3	-52.9	0	0	0	110.6	S367 L373 L375 I461 L465 Y479 V480 R483	S367-I369 PolarHBondContact O-N 3.32Å; I369-L373 WeakPolarHBondContact CA-O 3.31Å; I369-L373 HydrophobicContact CB-CB 4.49Å; I369-L373 HydrophobicContact CB-CD2 4.15Å; I369-L373 HydrophobicContact CB-CG 4.07Å; I369-L373 WeakPolarHBondContact CB-O 3.33Å; I369-L373 HydrophobicContact CG2-CD2 4.07Å; I369-L373 PolarHBondContact N-O 3.36Å; I369-L375 HydrophobicContact CD1-CB 3.96Å; I369-L375 HydrophobicContact CD1-CD2 4.14Å; I369-L375 HydrophobicContact CG1-CB 3.8Å; I369-I461 HydrophobicContact CG1-CD1 4.11Å; I369-I461 HydrophobicContact CG1-CG2 4.43Å; I369-I461 HydrophobicContact CG2-CG2 4.1Å; I369-L465 HydrophobicContact CG2-CD1 4.4Å; I369-Y479 HydrophobicContact CG2-CE1 3.98Å; I369-Y479 PolarHBondContact O-OH 3.02Å; I369-V480 HydrophobicContact CD1-CG1 4.01Å; I369-R483 HydrophobicContact CD1-CB 3.96Å; I369-R483 PolarHBondContact O-NE 3.06Å
370	F	96.7	Very high	86.9	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	169	170.5	-70.1	-63.6	0	0	0	109.2	R368 F372 L373 L465 Y479 L516 L519 L520	R368-F370 VanDerWaalsContact CG-O 3.24Å; R368-F370 WeakPolarHBondContact CG-O 3.49Å; F370-F372 HydrophobicContact CB-CD1 3.78Å; F370-F372 HydrophobicContact CB-CE1 3.48Å; F370-F372 VanDerWaalsContact CB-CE1 3.48Å; F370-F372 HydrophobicContact CB-CZ 4.09Å; F370-F372 HydrophobicContact CD2-CE1 4.05Å; F370-F372 AromaticContact CD2-CZ 3.98Å; F370-F372 HydrophobicContact CD2-CZ 3.98Å; F370-F372 AromaticContact CG-CE1 3.93Å; F370-F372 HydrophobicContact CG-CE1 3.93Å; F370-F372 HydrophobicContact CG-CZ 4.32Å; F370-F372 PolarHBondContact O-N 3.4Å; F370-L373 HydrophobicContact CB-CB 4.23Å; F370-L373 HydrophobicContact CD2-CD2 4.25Å; F370-L373 PolarHBondContact N-O 2.94Å; F370-L373 VanDerWaalsContact N-O 3.1Å; F370-L373 PolarHBondContact O-N 2.94Å; F370-L373 VanDerWaalsContact O-O 3.05Å; F370-L465 HydrophobicContact CE2-CD1 3.78Å; F370-L465 HydrophobicContact CE2-CG 4.25Å; F370-Y479 WeakPolarHBondContact CD1-OH 3.44Å; F370-Y479 HydrophobicContact CE1-CE1 4.2Å; F370-Y479 AromaticContact CE1-CZ 3.8Å; F370-Y479 WeakPolarHBondContact CE1-OH 3.33Å; F370-Y479 HydrophobicContact CE2-CE1 4.47Å; F370-Y479 HydrophobicContact CZ-CE1 4.01Å; F370-L516 HydrophobicContact CD2-CD2 4.3Å; F370-L516 HydrophobicContact CE2-CB 4.39Å; F370-L516 HydrophobicContact CE2-CD1 3.94Å; F370-L516 HydrophobicContact CE2-CD2 3.97Å; F370-L516 HydrophobicContact CE2-CG 4.32Å; F370-L516 HydrophobicContact CZ-CB 4.09Å; F370-L516 HydrophobicContact CZ-CD1 4.39Å; F370-L516 HydrophobicContact CZ-CD2 4.35Å; F370-L519 HydrophobicContact CD1-CB 3.61Å; F370-L519 HydrophobicContact CD1-CD1 4.07Å; F370-L519 HydrophobicContact CD1-CG 4.48Å; F370-L519 HydrophobicContact CE1-CB 3.5Å; F370-L519 HydrophobicContact CE1-CD1 4.47Å; F370-L519 HydrophobicContact CG-CD1 4.35Å; F370-L519 HydrophobicContact CZ-CB 4.45Å; F370-L520 HydrophobicContact CE1-CD2 3.99Å; F370-L520 HydrophobicContact CE1-CG 4.43Å; F370-L520 HydrophobicContact CZ-CD2 3.68Å; F370-L520 HydrophobicContact CZ-CG 4.22Å
371	P	95.8	Very high	89	Confident	80 Å²	80	44.7 Å²	44.7	52%	0.519	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.8	177.7	-29.6	37.2	0	0	0	114.8
372	F	97.5	Very high	90.8	Very high	19 Å²	19	46.3 Å²	46.3	8%	0.083	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-8.8	178.6	69.6	-86.9	0	0	0	114.6	F370 I436 R440 T445 V446 Y464 L516 L519	F370-F372 HydrophobicContact CB-CD1 3.78Å; F370-F372 HydrophobicContact CB-CE1 3.48Å; F370-F372 VanDerWaalsContact CB-CE1 3.48Å; F370-F372 HydrophobicContact CB-CZ 4.09Å; F370-F372 HydrophobicContact CD2-CE1 4.05Å; F370-F372 AromaticContact CD2-CZ 3.98Å; F370-F372 HydrophobicContact CD2-CZ 3.98Å; F370-F372 AromaticContact CG-CE1 3.93Å; F370-F372 HydrophobicContact CG-CE1 3.93Å; F370-F372 HydrophobicContact CG-CZ 4.32Å; F370-F372 PolarHBondContact O-N 3.4Å; F372-I436 HydrophobicContact CE2-CG2 3.89Å; F372-R440 HydrophobicContact CB-CG 4.49Å; F372-R440 HydrophobicContact CD1-CG 3.84Å; F372-R440 HydrophobicContact CD2-CB 3.69Å; F372-R440 HydrophobicContact CD2-CG 3.69Å; F372-R440 HydrophobicContact CE1-CG 3.94Å; F372-R440 HydrophobicContact CE2-CB 3.88Å; F372-R440 HydrophobicContact CE2-CG 3.78Å; F372-R440 HydrophobicContact CG-CB 4.15Å; F372-R440 HydrophobicContact CG-CG 3.74Å; F372-R440 HydrophobicContact CZ-CB 4.49Å; F372-R440 VanDerWaalsContact CZ-CD 3.5Å; F372-R440 HydrophobicContact CZ-CG 3.92Å; F372-T445 CarbonylContact O-C 3.5Å; F372-T445 WeakPolarHBondContact O-CA 3.08Å; F372-V446 WeakPolarHBondContact O-CG1 3.37Å; F372-V446 PolarHBondContact O-N 2.99Å; F372-Y464 HydrophobicContact CE2-CE1 4.47Å; F372-Y464 HydrophobicContact CZ-CE1 4.38Å; F372-Y464 WeakPolarHBondContact CZ-OH 3.44Å; F372-L516 HydrophobicContact CE1-CD2 4.23Å; F372-L516 HydrophobicContact CZ-CD2 3.88Å; F372-L519 HydrophobicContact CD1-CD1 4.41Å; F372-L519 HydrophobicContact CE1-CD1 3.74Å
373	L	98.5	Very high	92.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	118.1	-168.6	177	63.3	0	0	0	111.2	I369 F370 I436 V446 V448 I461 Y464	I369-L373 WeakPolarHBondContact CA-O 3.31Å; I369-L373 HydrophobicContact CB-CB 4.49Å; I369-L373 HydrophobicContact CB-CD2 4.15Å; I369-L373 HydrophobicContact CB-CG 4.07Å; I369-L373 WeakPolarHBondContact CB-O 3.33Å; I369-L373 HydrophobicContact CG2-CD2 4.07Å; I369-L373 PolarHBondContact N-O 3.36Å; F370-L373 HydrophobicContact CB-CB 4.23Å; F370-L373 HydrophobicContact CD2-CD2 4.25Å; F370-L373 PolarHBondContact N-O 2.94Å; F370-L373 VanDerWaalsContact N-O 3.1Å; F370-L373 PolarHBondContact O-N 2.94Å; F370-L373 VanDerWaalsContact O-O 3.05Å; L373-I436 HydrophobicContact CD1-CG2 4.47Å; L373-V446 HydrophobicContact CD1-CG1 3.83Å; L373-V448 HydrophobicContact CD1-CG2 3.54Å; L373-I461 HydrophobicContact CD1-CD1 4.38Å; L373-I461 HydrophobicContact CD2-CG2 4.3Å; L373-I461 HydrophobicContact CG-CD1 4.5Å; L373-Y464 HydrophobicContact CD2-CD1 4.04Å; L373-Y464 HydrophobicContact CD2-CE1 3.91Å
374	Y	98.6	Very high	93.7	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.8	173.9	-67.1	-96.9	0	0	0	111.6	I366 S367 R368 Y390 I392 V446 V448	I366-Y374 HydrophobicContact CD1-CD1 4.13Å; I366-Y374 HydrophobicContact CD1-CG 4.18Å; I366-Y374 HydrophobicContact CG1-CD1 4.05Å; I366-Y374 HydrophobicContact CG1-CG 4.36Å; S367-Y374 WeakPolarHBondContact O-CA 3.19Å; R368-Y374 HydrophobicContact CB-CD1 3.87Å; R368-Y374 HydrophobicContact CB-CE1 3.61Å; R368-Y374 HydrophobicContact CG-CD1 4.31Å; R368-Y374 HydrophobicContact CG-CE1 3.88Å; R368-Y374 PolarHBondContact NE-OH 3.41Å; R368-Y374 VanDerWaalsContact NE-OH 3.08Å; R368-Y374 PolarHBondContact NH2-OH 3.28Å; Y374-Y390 HydrophobicContact CD1-CD1 4.35Å; Y374-Y390 AromaticContact CE1-CD1 3.5Å; Y374-Y390 HydrophobicContact CE1-CD1 3.5Å; Y374-Y390 VanDerWaalsContact CE1-CD1 3.5Å; Y374-Y390 HydrophobicContact CE1-CE1 4.25Å; Y374-Y390 AromaticContact CE1-CG 4Å; Y374-Y390 HydrophobicContact CE1-CG 4Å; Y374-Y390 AromaticContact CZ-CD1 3.91Å; Y374-I392 HydrophobicContact CD2-CD1 3.51Å; Y374-I392 HydrophobicContact CE2-CD1 3.96Å; Y374-I392 HydrophobicContact CG-CD1 4.01Å; Y374-V446 PolarHBondContact N-O 2.86Å; Y374-V448 PolarHBondContact O-N 2.86Å
375	L	98.5	Very high	94.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.1	176.3	172.1	57.5	0	0	0	109.4	S367 I369 V448 S457 P458 I461 V480 R484 I487	S367-L375 PolarHBondContact N-O 2.81Å; S367-L375 PolarHBondContact O-N 2.98Å; I369-L375 HydrophobicContact CD1-CB 3.96Å; I369-L375 HydrophobicContact CD1-CD2 4.14Å; I369-L375 HydrophobicContact CG1-CB 3.8Å; L375-V448 WeakPolarHBondContact CA-O 3.25Å; L375-S457 WeakPolarHBondContact CD1-OG 3.42Å; L375-P458 HydrophobicContact CD1-CG 3.96Å; L375-P458 HydrophobicContact CD2-CB 4.37Å; L375-P458 HydrophobicContact CD2-CG 4Å; L375-I461 HydrophobicContact CB-CD1 3.68Å; L375-I461 HydrophobicContact CD1-CD1 3.81Å; L375-I461 HydrophobicContact CD2-CD1 4.25Å; L375-I461 HydrophobicContact CG-CD1 4.1Å; L375-V480 HydrophobicContact CD2-CG1 3.6Å; L375-R484 HydrophobicContact CD2-CB 4.04Å; L375-R484 HydrophobicContact CD2-CG 4.4Å; L375-I487 HydrophobicContact CD2-CG2 4.01Å
376	G	96.4	Very high	95.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	-170.4	-179.5	0	0	0	0	0	114.7	D380 V448 H449 G453	G376-D380 WeakPolarHBondContact CA-OD2 3.41Å; G376-V448 PolarHBondContact N-O 2.83Å; G376-V448 VanDerWaalsContact N-O 3.11Å; G376-H449 WeakPolarHBondContact O-CA 3.37Å; G376-H449 WeakPolarHBondContact O-CB 3.32Å; G376-G453 WeakPolarHBondContact O-CA 3.41Å
377	N	91	Very high	95.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	19%	0.186	C	C	.	.			trans	-112.1	-172.1	177.5	68.7	31.6	0	0	0	111.4	F362 Y379 D380 G381 H449 C450 Q451 A452	F362-N377 PolarHBondContact O-ND2 3.33Å; N377-Y379 WeakPolarHBondContact OD1-CA 3.22Å; N377-Y379 WeakPolarHBondContact OD1-CB 3.47Å; N377-Y379 PolarHBondContact OD1-N 2.87Å; N377-D380 PolarHBondContact N-OD2 3.36Å; N377-D380 PolarHBondContact O-N 3.08Å; N377-D380 PolarHBondContact OD1-N 3.32Å; N377-D380 PolarHBondContact OD1-OD2 3.01Å; N377-G381 PolarHBondContact O-N 3.1Å; N377-H449 WeakPolarHBondContact O-CB 3.27Å; N377-H449 PolarHBondContact O-ND1 2.91Å; N377-C450 CarbonylContact C-O 3.48Å; N377-C450 VanDerWaalsContact CA-O 3.31Å; N377-C450 WeakPolarHBondContact CA-O 3.17Å; N377-Q451 WeakPolarHBondContact CB-O 3.17Å; N377-A452 WeakPolarHBondContact CB-O 3.28Å
378	E	92.6	Very high	95.4	Very high	49 Å²	49	43.5 Å²	43.5	23%	0.229	20%	0.2	C	C	.	.	H	α-helix	trans	-68.9	-31.3	-179.5	66.3	-169.1	161.4	0	0	114.3	G381 Q382 T402 C450 Q451	E378-G381 PolarHBondContact O-N 2.87Å; E378-Q382 WeakPolarHBondContact O-CB 3.36Å; E378-Q382 VanDerWaalsContact O-CG 3.31Å; E378-Q382 WeakPolarHBondContact O-CG 3.33Å; E378-Q382 PolarHBondContact O-N 3.44Å; E378-T402 HydrophobicContact CB-CG2 3.5Å; E378-T402 VanDerWaalsContact CB-CG2 3.5Å; E378-T402 WeakPolarHBondContact OE2-CG2 3.49Å; E378-T402 PolarHBondContact OE2-OG1 3.34Å; E378-C450 PolarHBondContact N-O 2.77Å; E378-Q451 WeakPolarHBondContact CG-O 3.48Å; E378-Q451 PolarHBondContact N-O 2.92Å; E378-Q451 WeakPolarHBondContact OE1-CG 3.27Å; E378-Q451 WeakPolarHBondContact OE2-CG 3.44Å
379	Y	91.5	Very high	95.4	Very high	140 Å²	140	43.2 Å²	43.2	55%	0.549	20%	0.203	S	C	.	.	H	α-helix	trans	-67.2	-40.1	175.8	172.8	-99.8	0	0	0	111.3	N377 G381 Q382 N383 I386	N377-Y379 WeakPolarHBondContact OD1-CA 3.22Å; N377-Y379 WeakPolarHBondContact OD1-CB 3.47Å; N377-Y379 PolarHBondContact OD1-N 2.87Å; Y379-G381 VanDerWaalsContact C-N 3.33Å; Y379-G381 PolarHBondContact O-N 3.36Å; Y379-Q382 PolarHBondContact O-N 3.47Å; Y379-N383 VanDerWaalsContact CZ-ND2 3.26Å; Y379-N383 WeakPolarHBondContact O-CB 3.12Å; Y379-N383 PolarHBondContact O-N 2.9Å; Y379-N383 VanDerWaalsContact O-N 3.12Å; Y379-N383 PolarHBondContact OH-ND2 3.48Å; Y379-N383 VanDerWaalsContact OH-ND2 3.09Å; Y379-I386 HydrophobicContact CD1-CD1 4.05Å; Y379-I386 HydrophobicContact CE1-CD1 3.64Å
380	D	94.4	Very high	95.3	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-43.8	173.4	-58.9	-48.6	0	0	0	111.5	I366 G376 N377 Q382 I386 L447	I366-D380 HydrophobicContact CB-CB 4.18Å; I366-D380 PolarHBondContact N-OD1 2.97Å; G376-D380 WeakPolarHBondContact CA-OD2 3.41Å; N377-D380 PolarHBondContact N-OD2 3.36Å; N377-D380 PolarHBondContact O-N 3.08Å; N377-D380 PolarHBondContact OD1-N 3.32Å; N377-D380 PolarHBondContact OD1-OD2 3.01Å; D380-Q382 VanDerWaalsContact C-N 3.29Å; D380-Q382 PolarHBondContact O-N 3.39Å; D380-I386 HydrophobicContact CB-CG2 4.48Å; D380-L447 HydrophobicContact CB-CD2 4.2Å
381	G	94.2	Very high	95.3	Very high	1 Å²	1	49 Å²	49	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-73.2	-13.1	179.2	0	0	0	0	0	115.4	N377 E378 Y379	N377-G381 PolarHBondContact O-N 3.1Å; E378-G381 PolarHBondContact O-N 2.87Å; Y379-G381 VanDerWaalsContact C-N 3.33Å; Y379-G381 PolarHBondContact O-N 3.36Å
382	Q	91.7	Very high	95.4	Very high	75 Å²	75	45.6 Å²	45.6	35%	0.35	22%	0.215	S	C	.	.	H	α-helix	trans	-114.3	4.9	-178.9	-69.2	-179	-7.1	0	0	113.6	E378 Y379 D380 P403	E378-Q382 WeakPolarHBondContact O-CB 3.36Å; E378-Q382 VanDerWaalsContact O-CG 3.31Å; E378-Q382 WeakPolarHBondContact O-CG 3.33Å; E378-Q382 PolarHBondContact O-N 3.44Å; Y379-Q382 PolarHBondContact O-N 3.47Å; D380-Q382 VanDerWaalsContact C-N 3.29Å; D380-Q382 PolarHBondContact O-N 3.39Å; Q382-P403 PolarHBondContact NE2-O 3.36Å
383	N	92.4	Very high	95.5	Very high	30 Å²	30	47.6 Å²	47.6	16%	0.16	23%	0.226	C	C	.	.			trans	-111.8	102.7	-177.5	-172.6	-29.4	0	0	0	111.2	Y379 K385 I386 L387	Y379-N383 VanDerWaalsContact CZ-ND2 3.26Å; Y379-N383 WeakPolarHBondContact O-CB 3.12Å; Y379-N383 PolarHBondContact O-N 2.9Å; Y379-N383 VanDerWaalsContact O-N 3.12Å; Y379-N383 PolarHBondContact OH-ND2 3.48Å; Y379-N383 VanDerWaalsContact OH-ND2 3.09Å; N383-K385 PolarHBondContact O-N 2.65Å; N383-K385 VanDerWaalsContact O-N 3.13Å; N383-K385 WeakPolarHBondContact OD1-CB 3.42Å; N383-K385 PolarHBondContact OD1-N 3.05Å; N383-I386 HydrophobicContact CB-CB 4.09Å; N383-I386 HydrophobicContact CB-CD1 3.88Å; N383-I386 HydrophobicContact CB-CG1 3.96Å; N383-I386 WeakPolarHBondContact O-CA 3.43Å; N383-I386 WeakPolarHBondContact O-CB 3.09Å; N383-I386 PolarHBondContact O-N 2.94Å; N383-I386 PolarHBondContact OD1-N 2.88Å; N383-L387 PolarHBondContact O-N 3.25Å
384	E	94.7	Very high	95.4	Very high	92 Å²	92	47.6 Å²	47.6	43%	0.43	23%	0.226	S	C	.	.	H	α-helix	trans	-54.6	-35.9	-178.6	-149.7	-149.4	137.4	0	0	113	I386 L387 N388 L405 R409	E384-I386 VanDerWaalsContact C-N 3.3Å; E384-I386 PolarHBondContact O-N 3.07Å; E384-L387 PolarHBondContact O-N 3.34Å; E384-N388 WeakPolarHBondContact O-CB 3.29Å; E384-N388 PolarHBondContact O-N 3.46Å; E384-N388 PolarHBondContact O-ND2 3.4Å; E384-N388 PolarHBondContact OE1-ND2 2.96Å; E384-L405 HydrophobicContact CB-CD2 3.73Å; E384-L405 HydrophobicContact CG-CD2 3.96Å; E384-R409 IonicContact OE1-CZ 3.39Å; E384-R409 IonicContact OE1-NH1 3.43Å; E384-R409 PolarHBondContact OE1-NH1 3.09Å; E384-R409 IonicContact OE1-NH2 3.05Å
385	K	95.6	Very high	95.4	Very high	173 Å²	173	47.4 Å²	47.4	75%	0.752	23%	0.225	S	C	*	.	H	α-helix	trans	-66.8	-34.2	178.8	-61.9	179.7	179.3	178	0	111.5	N383 K389	N383-K385 PolarHBondContact O-N 2.65Å; N383-K385 VanDerWaalsContact O-N 3.13Å; N383-K385 WeakPolarHBondContact OD1-CB 3.42Å; N383-K385 PolarHBondContact OD1-N 3.05Å; K385-K389 WeakPolarHBondContact O-CB 2.92Å; K385-K389 PolarHBondContact O-N 2.97Å
386	I	94.6	Very high	95.4	Very high	25 Å²	25	47.4 Å²	47.4	13%	0.128	23%	0.225	C	C	.	.	H	α-helix	trans	-71.8	-51	174.8	-64.8	-179.4	0	0	0	109.5	I366 Y379 D380 N383 E384 N388 K389 Y390	I366-I386 HydrophobicContact CB-CG2 4.31Å; I366-I386 HydrophobicContact CD1-CG2 4.13Å; I366-I386 HydrophobicContact CG2-CG2 3.76Å; Y379-I386 HydrophobicContact CD1-CD1 4.05Å; Y379-I386 HydrophobicContact CE1-CD1 3.64Å; D380-I386 HydrophobicContact CB-CG2 4.48Å; N383-I386 HydrophobicContact CB-CB 4.09Å; N383-I386 HydrophobicContact CB-CD1 3.88Å; N383-I386 HydrophobicContact CB-CG1 3.96Å; N383-I386 WeakPolarHBondContact O-CA 3.43Å; N383-I386 WeakPolarHBondContact O-CB 3.09Å; N383-I386 PolarHBondContact O-N 2.94Å; N383-I386 PolarHBondContact OD1-N 2.88Å; E384-I386 VanDerWaalsContact C-N 3.3Å; E384-I386 PolarHBondContact O-N 3.07Å; I386-N388 VanDerWaalsContact C-N 3.31Å; I386-N388 PolarHBondContact O-N 2.88Å; I386-K389 PolarHBondContact O-N 2.82Å; I386-K389 VanDerWaalsContact O-N 3.1Å; I386-Y390 HydrophobicContact CG2-CD2 3.88Å; I386-Y390 HydrophobicContact CG2-CE2 4.07Å; I386-Y390 VanDerWaalsContact O-CD2 3.28Å; I386-Y390 WeakPolarHBondContact O-CD2 3.47Å; I386-Y390 PolarHBondContact O-N 2.9Å; I386-Y390 VanDerWaalsContact O-N 3.08Å
387	L	96.6	Very high	95.5	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-56.9	-44	179.1	-61	176.3	0	0	0	111.9	N383 E384 S391 I392 I395 L405 F410 L447	N383-L387 PolarHBondContact O-N 3.25Å; E384-L387 PolarHBondContact O-N 3.34Å; L387-S391 PolarHBondContact O-N 3.24Å; L387-S391 VanDerWaalsContact O-N 3.11Å; L387-I392 HydrophobicContact CB-CB 4.29Å; L387-I392 HydrophobicContact CD2-CB 3.89Å; L387-I392 HydrophobicContact CD2-CG1 3.92Å; L387-I392 HydrophobicContact CD2-CG2 3.95Å; L387-I392 PolarHBondContact O-N 3.07Å; L387-I395 HydrophobicContact CD1-CD1 3.99Å; L387-I395 HydrophobicContact CD2-CD1 4.32Å; L387-L405 HydrophobicContact CD1-CB 4.43Å; L387-L405 HydrophobicContact CD1-CD2 3.77Å; L387-F410 HydrophobicContact CB-CE1 4.16Å; L387-F410 HydrophobicContact CB-CZ 3.95Å; L387-F410 HydrophobicContact CD1-CD2 4.45Å; L387-F410 HydrophobicContact CD1-CE1 4.23Å; L387-F410 HydrophobicContact CD1-CE2 3.74Å; L387-F410 HydrophobicContact CD1-CZ 3.61Å; L387-F410 HydrophobicContact CG-CZ 4.41Å; L387-L447 HydrophobicContact CD2-CD2 3.73Å
388	N	96.2	Very high	95.8	Very high	69 Å²	69	47.3 Å²	47.3	37%	0.369	23%	0.225	S	C	.	.	H	α-helix	trans	-64.9	-44.2	174.2	-68	-20.3	0	0	0	112.4	E384 I386 Y390 S391 R409	E384-N388 WeakPolarHBondContact O-CB 3.29Å; E384-N388 PolarHBondContact O-N 3.46Å; E384-N388 PolarHBondContact O-ND2 3.4Å; E384-N388 PolarHBondContact OE1-ND2 2.96Å; I386-N388 VanDerWaalsContact C-N 3.31Å; I386-N388 PolarHBondContact O-N 2.88Å; N388-Y390 VanDerWaalsContact C-N 3.28Å; N388-Y390 PolarHBondContact O-N 3.21Å; N388-S391 PolarHBondContact O-N 2.94Å; N388-R409 PolarHBondContact OD1-NH2 3.07Å
389	K	97.2	Very high	95.9	Very high	140 Å²	140	45.1 Å²	45.1	61%	0.609	22%	0.215	S	C	*	.	H	α-helix	trans	-60.3	-35.3	-179.3	176	-174.1	175.2	-159.1	0	112.8	K385 I386	K385-K389 WeakPolarHBondContact O-CB 2.92Å; K385-K389 PolarHBondContact O-N 2.97Å; I386-K389 PolarHBondContact O-N 2.82Å; I386-K389 VanDerWaalsContact O-N 3.1Å
390	Y	96.7	Very high	95.9	Very high	44 Å²	44	42 Å²	42	17%	0.173	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	6	-178.7	-64.1	-78.1	0	0	0	113.8	I366 Y374 I386 N388 I392	I366-Y390 HydrophobicContact CD1-CD2 4.21Å; I366-Y390 HydrophobicContact CD1-CG 4.47Å; I366-Y390 HydrophobicContact CG2-CD2 3.56Å; I366-Y390 HydrophobicContact CG2-CE1 4.38Å; I366-Y390 HydrophobicContact CG2-CE2 3.18Å; I366-Y390 HydrophobicContact CG2-CG 4.33Å; Y374-Y390 HydrophobicContact CD1-CD1 4.35Å; Y374-Y390 AromaticContact CE1-CD1 3.5Å; Y374-Y390 HydrophobicContact CE1-CD1 3.5Å; Y374-Y390 VanDerWaalsContact CE1-CD1 3.5Å; Y374-Y390 HydrophobicContact CE1-CE1 4.25Å; Y374-Y390 AromaticContact CE1-CG 4Å; Y374-Y390 HydrophobicContact CE1-CG 4Å; Y374-Y390 AromaticContact CZ-CD1 3.91Å; I386-Y390 HydrophobicContact CG2-CD2 3.88Å; I386-Y390 HydrophobicContact CG2-CE2 4.07Å; I386-Y390 VanDerWaalsContact O-CD2 3.28Å; I386-Y390 WeakPolarHBondContact O-CD2 3.47Å; I386-Y390 PolarHBondContact O-N 2.9Å; I386-Y390 VanDerWaalsContact O-N 3.08Å; N388-Y390 VanDerWaalsContact C-N 3.28Å; N388-Y390 PolarHBondContact O-N 3.21Å; Y390-I392 VanDerWaalsContact C-N 3.34Å; Y390-I392 PolarHBondContact O-N 3.32Å
391	S	97	Very high	95.6	Very high	82 Å²	82	50.8 Å²	50.8	57%	0.573	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	45.6	-178.9	-54.6	0	0	0	0	113.4	L387 N388 D393 T445	L387-S391 PolarHBondContact O-N 3.24Å; L387-S391 VanDerWaalsContact O-N 3.11Å; N388-S391 PolarHBondContact O-N 2.94Å; S391-D393 PolarHBondContact O-N 3.24Å; S391-T445 PolarHBondContact O-OG1 2.84Å
392	I	98.2	Very high	95.3	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.041	25%	0.248	C	C	.	.			trans	-70.8	119	179.1	-55.6	-56.3	0	0	0	109.9	I366 Y374 L387 Y390 S394 I395 F410 T445 L447	I366-I392 HydrophobicContact CD1-CD1 4.39Å; Y374-I392 HydrophobicContact CD2-CD1 3.51Å; Y374-I392 HydrophobicContact CE2-CD1 3.96Å; Y374-I392 HydrophobicContact CG-CD1 4.01Å; L387-I392 HydrophobicContact CB-CB 4.29Å; L387-I392 HydrophobicContact CD2-CB 3.89Å; L387-I392 HydrophobicContact CD2-CG1 3.92Å; L387-I392 HydrophobicContact CD2-CG2 3.95Å; L387-I392 PolarHBondContact O-N 3.07Å; Y390-I392 VanDerWaalsContact C-N 3.34Å; Y390-I392 PolarHBondContact O-N 3.32Å; I392-S394 VanDerWaalsContact CG2-O 3.25Å; I392-S394 WeakPolarHBondContact CG2-O 3.35Å; I392-I395 HydrophobicContact CG2-CG1 4.18Å; I392-F410 WeakPolarHBondContact O-CD1 3.47Å; I392-F410 WeakPolarHBondContact O-CE1 3.16Å; I392-T445 WeakPolarHBondContact CA-OG1 3.49Å; I392-L447 HydrophobicContact CD1-CB 4.17Å; I392-L447 HydrophobicContact CG1-CB 4.33Å; I392-L447 HydrophobicContact CG2-CB 3.76Å
393	D	97.8	Very high	95.1	Very high	60 Å²	60	51.5 Å²	51.5	32%	0.321	26%	0.256	S	S	.	.			trans	-94.7	-28.8	175.6	-59.1	-86.1	0	0	0	112.5	S391 F410 N411 K444 T445	S391-D393 PolarHBondContact O-N 3.24Å; D393-F410 WeakPolarHBondContact O-CA 3.4Å; D393-N411 PolarHBondContact O-N 2.68Å; D393-K444 HydrophobicContact CB-CB 3.89Å; D393-K444 HydrophobicContact CB-CD 3.88Å; D393-K444 HydrophobicContact CB-CG 4.1Å; D393-K444 WeakPolarHBondContact OD2-CA 3.37Å; D393-K444 VanDerWaalsContact OD2-CB 3.26Å; D393-K444 WeakPolarHBondContact OD2-CB 3.38Å; D393-T445 PolarHBondContact N-O 2.99Å; D393-T445 PolarHBondContact OD2-N 2.86Å
394	S	98.4	Very high	95.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.9	-169	-50.2	0	0	0	0	111.8	I392 N411 V439 T445 V446 L447	I392-S394 VanDerWaalsContact CG2-O 3.25Å; I392-S394 WeakPolarHBondContact CG2-O 3.35Å; S394-N411 CarbonylContact C-O 3.58Å; S394-N411 WeakPolarHBondContact CA-O 3.44Å; S394-N411 WeakPolarHBondContact CB-O 3.45Å; S394-V439 VanDerWaalsContact OG-CG2 3.27Å; S394-V439 WeakPolarHBondContact OG-CG2 3.5Å; S394-T445 PolarHBondContact N-O 3.1Å; S394-T445 VanDerWaalsContact N-O 3.09Å; S394-V446 VanDerWaalsContact O-CA 3.31Å; S394-V446 WeakPolarHBondContact O-CA 3.4Å; S394-L447 PolarHBondContact O-N 2.67Å
395	I	98.4	Very high	95	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118	-176.4	-54.6	177.8	0	0	0	109.9	L387 I392 F404 F410 N411 C413	L387-I395 HydrophobicContact CD1-CD1 3.99Å; L387-I395 HydrophobicContact CD2-CD1 4.32Å; I392-I395 HydrophobicContact CG2-CG1 4.18Å; I395-F404 HydrophobicContact CB-CD1 4.25Å; I395-F404 HydrophobicContact CB-CE1 4.27Å; I395-F404 HydrophobicContact CG2-CD1 3.97Å; I395-F404 HydrophobicContact CG2-CE1 4Å; I395-F410 HydrophobicContact CD1-CB 4.02Å; I395-F410 HydrophobicContact CD1-CD1 4.42Å; I395-F410 HydrophobicContact CD1-CD2 3.92Å; I395-F410 HydrophobicContact CD1-CG 3.86Å; I395-F410 HydrophobicContact CG1-CB 4.14Å; I395-F410 HydrophobicContact CG1-CG 4.31Å; I395-N411 PolarHBondContact N-O 2.9Å; I395-C413 PolarHBondContact O-N 3.09Å
396	L	98.6	Very high	94.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	105.1	171.8	-172.8	61.8	0	0	0	109.7	C413 L415 A432 F435 I436 V446 L447 V448 H449 L460	L396-C413 WeakPolarHBondContact CA-O 3.48Å; L396-C413 HydrophobicContact CD1-CB 3.7Å; L396-C413 VanDerWaalsContact CD1-SG 3.56Å; L396-L415 HydrophobicContact CD1-CD1 3.68Å; L396-L415 HydrophobicContact CD1-CG 3.94Å; L396-L415 HydrophobicContact CD2-CD1 4.16Å; L396-L415 HydrophobicContact CG-CD1 4.15Å; L396-A432 HydrophobicContact CD2-CB 4.16Å; L396-F435 HydrophobicContact CB-CD1 3.96Å; L396-F435 HydrophobicContact CB-CE1 3.86Å; L396-F435 HydrophobicContact CD1-CD1 3.89Å; L396-F435 HydrophobicContact CD1-CE1 4.29Å; L396-F435 HydrophobicContact CD1-CG 4.35Å; L396-F435 HydrophobicContact CD2-CD1 4.31Å; L396-F435 HydrophobicContact CG-CD1 4.28Å; L396-I436 HydrophobicContact CD2-CD1 4.18Å; L396-I436 HydrophobicContact CD2-CG1 4.19Å; L396-V446 HydrophobicContact CB-CG2 4.24Å; L396-L447 PolarHBondContact N-O 3.23Å; L396-V448 HydrophobicContact CB-CB 4.43Å; L396-V448 HydrophobicContact CB-CG1 4.35Å; L396-V448 HydrophobicContact CB-CG2 4.07Å; L396-V448 HydrophobicContact CD2-CG1 4.08Å; L396-V448 HydrophobicContact CD2-CG2 4.03Å; L396-V448 HydrophobicContact CG-CG1 4.36Å; L396-V448 WeakPolarHBondContact O-CA 3.42Å; L396-H449 PolarHBondContact O-N 2.98Å; L396-L460 HydrophobicContact CD2-CD1 4.21Å; L396-L460 HydrophobicContact CD2-CD2 4.23Å
397	N	98	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	104.5	-173	-174.8	-25.3	0	0	0	110.9	T399 T402 F404 C413 R414 L415 H449	N397-T399 PolarHBondContact O-N 2.89Å; N397-T399 VanDerWaalsContact O-N 3.12Å; N397-T399 WeakPolarHBondContact OD1-CB 3.48Å; N397-T399 WeakPolarHBondContact OD1-CG2 3.42Å; N397-T399 PolarHBondContact OD1-N 3.03Å; N397-T399 PolarHBondContact OD1-OG1 3.29Å; N397-T402 PolarHBondContact ND2-O 2.77Å; N397-F404 HydrophobicContact CB-CD1 4.23Å; N397-F404 HydrophobicContact CB-CE1 3.41Å; N397-F404 VanDerWaalsContact CB-CE1 3.41Å; N397-F404 HydrophobicContact CB-CZ 3.7Å; N397-C413 PolarHBondContact N-O 2.92Å; N397-R414 PolarHBondContact ND2-NH1 2.93Å; N397-R414 PolarHBondContact ND2-NH2 3.06Å; N397-R414 WeakPolarHBondContact O-CA 3.21Å; N397-R414 PolarHBondContact OD1-NH1 3.08Å; N397-L415 PolarHBondContact O-N 2.83Å; N397-H449 WeakPolarHBondContact CB-NE2 3.3Å; N397-H449 VanDerWaalsContact CG-NE2 3.33Å; N397-H449 PolarHBondContact ND2-NE2 2.85Å
398	V	97.9	Very high	94.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.291	C	S	.	.			trans	-89.8	55.5	-178.1	-160.7	0	0	0	0	110.3	L415 A417 L425 V448 H449 C450 R456 L460	V398-L415 CarbonylContact C-O 3.46Å; V398-L415 WeakPolarHBondContact CA-O 3.34Å; V398-L415 HydrophobicContact CG1-CB 4.5Å; V398-A417 HydrophobicContact CG1-CB 4.07Å; V398-L425 HydrophobicContact CG1-CD1 4.15Å; V398-V448 HydrophobicContact CG2-CG1 4.13Å; V398-H449 PolarHBondContact N-O 3.06Å; V398-C450 HydrophobicContact CB-CB 4.26Å; V398-R456 HydrophobicContact CB-CB 4.3Å; V398-R456 HydrophobicContact CG1-CB 3.88Å; V398-R456 WeakPolarHBondContact O-CD 3.41Å; V398-L460 HydrophobicContact CG1-CD1 4.41Å; V398-L460 HydrophobicContact CG2-CD1 3.68Å
399	T	94.5	Very high	94	Very high	3 Å²	3	58 Å²	58	2%	0.018	30%	0.296	C	S	.	.			trans	-144.5	155.2	177	78	0	0	0	0	112.1	N397 T402 R414 L415 C450 Q451	N397-T399 PolarHBondContact O-N 2.89Å; N397-T399 VanDerWaalsContact O-N 3.12Å; N397-T399 WeakPolarHBondContact OD1-CB 3.48Å; N397-T399 WeakPolarHBondContact OD1-CG2 3.42Å; N397-T399 PolarHBondContact OD1-N 3.03Å; N397-T399 PolarHBondContact OD1-OG1 3.29Å; T399-T402 VanDerWaalsContact OG1-CB 3.27Å; T399-T402 WeakPolarHBondContact OG1-CB 3.2Å; T399-T402 PolarHBondContact OG1-N 3.24Å; T399-R414 WeakPolarHBondContact O-CG 3.41Å; T399-R414 PolarHBondContact O-NH1 3.02Å; T399-R414 PolarHBondContact OG1-NH1 3.04Å; T399-L415 PolarHBondContact N-O 3.23Å; T399-C450 HydrophobicContact CG2-CB 4.16Å; T399-Q451 HydrophobicContact CG2-CB 4.46Å
400	I	91.8	Very high	93.9	Very high	73 Å²	73	52 Å²	52	37%	0.374	27%	0.27	S	S	.	.	S	Bend	trans	-74.3	-39.4	174.6	-54.9	-172.4	0	0	0	112.1	P416 N418	I400-P416 HydrophobicContact CG1-CB 4.13Å; I400-N418 WeakPolarHBondContact CD1-ND2 3.49Å; I400-N418 VanDerWaalsContact CD1-OD1 3.26Å; I400-N418 WeakPolarHBondContact CD1-OD1 3.16Å
401	K	88	Confident	93.9	Very high	189 Å²	189	53.8 Å²	53.8	82%	0.822	28%	0.282	S	S	*	.	S	Bend	trans	-124.9	-18.2	-163.8	-63	-171.3	-179.8	-177.3	0	117	P403	K401-P403 VanDerWaalsContact O-CD 3.3Å; K401-P403 WeakPolarHBondContact O-CD 3.22Å
402	T	86.3	Confident	93.9	Very high	12 Å²	12	51.4 Å²	51.4	7%	0.074	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.4	116.5	-178.1	-59.3	0	0	0	0	108.8	E378 N397 T399 R414	E378-T402 HydrophobicContact CB-CG2 3.5Å; E378-T402 VanDerWaalsContact CB-CG2 3.5Å; E378-T402 WeakPolarHBondContact OE2-CG2 3.49Å; E378-T402 PolarHBondContact OE2-OG1 3.34Å; N397-T402 PolarHBondContact ND2-O 2.77Å; T399-T402 VanDerWaalsContact OG1-CB 3.27Å; T399-T402 WeakPolarHBondContact OG1-CB 3.2Å; T399-T402 PolarHBondContact OG1-N 3.24Å; T402-R414 VanDerWaalsContact O-CZ 3.28Å; T402-R414 PolarHBondContact O-NH1 3.31Å; T402-R414 PolarHBondContact O-NH2 3.2Å
403	P	88.6	Confident	93.9	Very high	79 Å²	79	52.2 Å²	52.2	51%	0.513	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-68.6	158.2	-177.5	28.2	-34.7	0	0	0	111.9	Q382 K401	Q382-P403 PolarHBondContact NE2-O 3.36Å; K401-P403 VanDerWaalsContact O-CD 3.3Å; K401-P403 WeakPolarHBondContact O-CD 3.22Å
404	F	93.6	Very high	93.9	Very high	24 Å²	24	53 Å²	53	11%	0.105	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-75.9	158.9	166.6	-62.9	-78.2	0	0	0	110.1	I395 N397 E407 C412 R414	I395-F404 HydrophobicContact CB-CD1 4.25Å; I395-F404 HydrophobicContact CB-CE1 4.27Å; I395-F404 HydrophobicContact CG2-CD1 3.97Å; I395-F404 HydrophobicContact CG2-CE1 4Å; N397-F404 HydrophobicContact CB-CD1 4.23Å; N397-F404 HydrophobicContact CB-CE1 3.41Å; N397-F404 VanDerWaalsContact CB-CE1 3.41Å; N397-F404 HydrophobicContact CB-CZ 3.7Å; F404-E407 HydrophobicContact CB-CG 3.7Å; F404-E407 HydrophobicContact CD2-CG 3.78Å; F404-E407 WeakPolarHBondContact CD2-OE1 3.5Å; F404-E407 HydrophobicContact CG-CG 4.01Å; F404-C412 HydrophobicContact CD1-CB 3.85Å; F404-C412 WeakPolarHBondContact CD1-SG 3.43Å; F404-C412 HydrophobicContact CD2-CB 4.18Å; F404-C412 HydrophobicContact CE1-CB 3.69Å; F404-C412 HydrophobicContact CE2-CB 4.03Å; F404-C412 HydrophobicContact CG-CB 4.09Å; F404-C412 HydrophobicContact CZ-CB 3.79Å; F404-R414 HydrophobicContact CE2-CB 4.15Å; F404-R414 HydrophobicContact CZ-CB 3.95Å
405	L	90.4	Very high	93.9	Very high	70 Å²	70	53.2 Å²	53.2	37%	0.366	27%	0.271	S	S	.	.	S	Bend	trans	-71.9	-49.5	175.5	-178.1	61.8	0	0	0	112.3	E384 L387 F410	E384-L405 HydrophobicContact CB-CD2 3.73Å; E384-L405 HydrophobicContact CG-CD2 3.96Å; L387-L405 HydrophobicContact CD1-CB 4.43Å; L387-L405 HydrophobicContact CD1-CD2 3.77Å; L405-F410 HydrophobicContact CD2-CE2 4.4Å
406	D	89.6	Confident	93.8	Very high	57 Å²	57	56 Å²	56	31%	0.305	29%	0.289	S	S	.	.			trans	-156	100.5	-175.9	-178.3	-7.2	0	0	0	110	S408 R409 F410	D406-S408 PolarHBondContact O-N 3.06Å; D406-S408 WeakPolarHBondContact OD1-CA 3.35Å; D406-S408 WeakPolarHBondContact OD1-CB 3.46Å; D406-S408 PolarHBondContact OD1-N 3.42Å; D406-S408 PolarHBondContact OD1-OG 2.91Å; D406-R409 HydrophobicContact CB-CB 4.18Å; D406-R409 PolarHBondContact O-N 3.15Å; D406-R409 PolarHBondContact OD1-N 3.48Å; D406-R409 WeakPolarHBondContact OD2-CB 3.34Å; D406-F410 HydrophobicContact CB-CD2 4.26Å; D406-F410 HydrophobicContact CB-CE2 4.27Å; D406-F410 WeakPolarHBondContact O-CD2 3.31Å; D406-F410 PolarHBondContact O-N 3.4Å
407	E	90.5	Very high	93.6	Very high	137 Å²	137	56 Å²	56	64%	0.64	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-9	179.1	-61.7	-177.8	-143.1	0	0	113.4	F404 C412	F404-E407 HydrophobicContact CB-CG 3.7Å; F404-E407 HydrophobicContact CD2-CG 3.78Å; F404-E407 WeakPolarHBondContact CD2-OE1 3.5Å; F404-E407 HydrophobicContact CG-CG 4.01Å; E407-C412 HydrophobicContact CG-CB 4.39Å
408	S	90.5	Very high	93.1	Very high	114 Å²	114	59.9 Å²	59.9	80%	0.797	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-25.3	175.3	77	0	0	0	0	112.8	D406	D406-S408 PolarHBondContact O-N 3.06Å; D406-S408 WeakPolarHBondContact OD1-CA 3.35Å; D406-S408 WeakPolarHBondContact OD1-CB 3.46Å; D406-S408 PolarHBondContact OD1-N 3.42Å; D406-S408 PolarHBondContact OD1-OG 2.91Å
409	R	92	Very high	92.5	Very high	126 Å²	126	63 Å²	63	48%	0.475	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-36.6	-174.6	-178.5	175.5	177.6	-166.9	-5.8	114	E384 N388 D406	E384-R409 IonicContact OE1-CZ 3.39Å; E384-R409 IonicContact OE1-NH1 3.43Å; E384-R409 PolarHBondContact OE1-NH1 3.09Å; E384-R409 IonicContact OE1-NH2 3.05Å; N388-R409 PolarHBondContact OD1-NH2 3.07Å; D406-R409 HydrophobicContact CB-CB 4.18Å; D406-R409 PolarHBondContact O-N 3.15Å; D406-R409 PolarHBondContact OD1-N 3.48Å; D406-R409 WeakPolarHBondContact OD2-CB 3.34Å
410	F	95.5	Very high	91.6	Very high	13 Å²	13	64.1 Å²	64.1	6%	0.057	33%	0.334	C	S	.	.	S	Bend	trans	-105.1	145.4	-178.9	-55.8	-75	0	0	0	110.7	L387 I392 D393 I395 L405 D406 C412	L387-F410 HydrophobicContact CB-CE1 4.16Å; L387-F410 HydrophobicContact CB-CZ 3.95Å; L387-F410 HydrophobicContact CD1-CD2 4.45Å; L387-F410 HydrophobicContact CD1-CE1 4.23Å; L387-F410 HydrophobicContact CD1-CE2 3.74Å; L387-F410 HydrophobicContact CD1-CZ 3.61Å; L387-F410 HydrophobicContact CG-CZ 4.41Å; I392-F410 WeakPolarHBondContact O-CD1 3.47Å; I392-F410 WeakPolarHBondContact O-CE1 3.16Å; D393-F410 WeakPolarHBondContact O-CA 3.4Å; I395-F410 HydrophobicContact CD1-CB 4.02Å; I395-F410 HydrophobicContact CD1-CD1 4.42Å; I395-F410 HydrophobicContact CD1-CD2 3.92Å; I395-F410 HydrophobicContact CD1-CG 3.86Å; I395-F410 HydrophobicContact CG1-CB 4.14Å; I395-F410 HydrophobicContact CG1-CG 4.31Å; L405-F410 HydrophobicContact CD2-CE2 4.4Å; D406-F410 HydrophobicContact CB-CD2 4.26Å; D406-F410 HydrophobicContact CB-CE2 4.27Å; D406-F410 WeakPolarHBondContact O-CD2 3.31Å; D406-F410 PolarHBondContact O-N 3.4Å; F410-C412 PolarHBondContact O-N 2.82Å; F410-C412 VanDerWaalsContact O-N 3.16Å
411	N	96.8	Very high	90.6	Very high	81 Å²	81	68.4 Å²	68.4	43%	0.433	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	106.7	167.3	177.2	28.8	0	0	0	108.7	D393 S394 I395 F435	D393-N411 PolarHBondContact O-N 2.68Å; S394-N411 CarbonylContact C-O 3.58Å; S394-N411 WeakPolarHBondContact CA-O 3.44Å; S394-N411 WeakPolarHBondContact CB-O 3.45Å; I395-N411 PolarHBondContact N-O 2.9Å; N411-F435 WeakPolarHBondContact ND2-CE2 3.48Å; N411-F435 WeakPolarHBondContact O-CZ 3.35Å
412	C	97.1	Very high	89.9	Confident	33 Å²	33	63.9 Å²	63.9	22%	0.223	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.7	-170.4	-74.6	0	0	0	0	112.2	F404 E407 F410	F404-C412 HydrophobicContact CD1-CB 3.85Å; F404-C412 WeakPolarHBondContact CD1-SG 3.43Å; F404-C412 HydrophobicContact CD2-CB 4.18Å; F404-C412 HydrophobicContact CE1-CB 3.69Å; F404-C412 HydrophobicContact CE2-CB 4.03Å; F404-C412 HydrophobicContact CG-CB 4.09Å; F404-C412 HydrophobicContact CZ-CB 3.79Å; E407-C412 HydrophobicContact CG-CB 4.39Å; F410-C412 PolarHBondContact O-N 2.82Å; F410-C412 VanDerWaalsContact O-N 3.16Å
413	C	97.6	Very high	89.9	Confident	24 Å²	24	64.7 Å²	64.7	16%	0.162	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.1	171.5	177.7	0	0	0	0	110.3	I395 L396 N397 F435	I395-C413 PolarHBondContact O-N 3.09Å; L396-C413 WeakPolarHBondContact CA-O 3.48Å; L396-C413 HydrophobicContact CD1-CB 3.7Å; L396-C413 VanDerWaalsContact CD1-SG 3.56Å; N397-C413 PolarHBondContact N-O 2.92Å; C413-F435 HydrophobicContact CB-CD1 4.19Å; C413-F435 HydrophobicContact CB-CD2 3.53Å; C413-F435 HydrophobicContact CB-CE1 4.05Å; C413-F435 HydrophobicContact CB-CE2 3.36Å; C413-F435 HydrophobicContact CB-CG 3.93Å; C413-F435 HydrophobicContact CB-CZ 3.63Å
414	R	97.9	Very high	90	Very high	77 Å²	77	64.2 Å²	64.2	29%	0.291	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.3	178.6	-177.7	177	-62	-77.4	-5.4	110.5	N397 T399 T402 F404	N397-R414 PolarHBondContact ND2-NH1 2.93Å; N397-R414 PolarHBondContact ND2-NH2 3.06Å; N397-R414 WeakPolarHBondContact O-CA 3.21Å; N397-R414 PolarHBondContact OD1-NH1 3.08Å; T399-R414 WeakPolarHBondContact O-CG 3.41Å; T399-R414 PolarHBondContact O-NH1 3.02Å; T399-R414 PolarHBondContact OG1-NH1 3.04Å; T402-R414 VanDerWaalsContact O-CZ 3.28Å; T402-R414 PolarHBondContact O-NH1 3.31Å; T402-R414 PolarHBondContact O-NH2 3.2Å; F404-R414 HydrophobicContact CE2-CB 4.15Å; F404-R414 HydrophobicContact CZ-CB 3.95Å
415	L	97.9	Very high	90	Very high	6 Å²	6	63.1 Å²	63.1	3%	0.031	34%	0.336	C	S	.	.			trans	-114	97.6	172.3	-61.7	174	0	0	0	108.1	L396 N397 V398 T399 A417 H428 T431 A432 L460	L396-L415 HydrophobicContact CD1-CD1 3.68Å; L396-L415 HydrophobicContact CD1-CG 3.94Å; L396-L415 HydrophobicContact CD2-CD1 4.16Å; L396-L415 HydrophobicContact CG-CD1 4.15Å; N397-L415 PolarHBondContact O-N 2.83Å; V398-L415 CarbonylContact C-O 3.46Å; V398-L415 WeakPolarHBondContact CA-O 3.34Å; V398-L415 HydrophobicContact CG1-CB 4.5Å; T399-L415 PolarHBondContact N-O 3.23Å; L415-A417 PolarHBondContact O-N 3.22Å; L415-H428 HydrophobicContact CB-CB 4.42Å; L415-H428 HydrophobicContact CD1-CB 4.25Å; L415-H428 HydrophobicContact CD2-CB 4.32Å; L415-T431 HydrophobicContact CD2-CG2 3.98Å; L415-A432 HydrophobicContact CD1-CB 3.63Å; L415-L460 HydrophobicContact CD1-CD1 3.79Å
416	P	96.6	Very high	90.1	Very high	58 Å²	58	62.4 Å²	62.4	38%	0.377	33%	0.328	S	S	.	.			trans	-71.2	99.4	-171.5	27.9	-34.2	0	0	0	111	I400 H428	I400-P416 HydrophobicContact CG1-CB 4.13Å; P416-H428 WeakPolarHBondContact CD-CE1 3.38Å; P416-H428 PolarHBondContact O-NE2 2.87Å
417	A	94.5	Very high	90.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.338	C	S	.	.			trans	-131	134.4	179.1	0	0	0	0	0	112.7	V398 L415 Q423 L425 R456	V398-A417 HydrophobicContact CG1-CB 4.07Å; L415-A417 PolarHBondContact O-N 3.22Å; A417-Q423 HydrophobicContact CB-CG 4.02Å; A417-L425 HydrophobicContact CB-CD1 3.97Å; A417-R456 VanDerWaalsContact O-CD 3.25Å; A417-R456 WeakPolarHBondContact O-CD 3.49Å; A417-R456 PolarHBondContact O-NH1 3.07Å
418	N	87.8	Confident	90.7	Very high	82 Å²	82	58.7 Å²	58.7	44%	0.439	32%	0.317	S	S	.	.			trans	-81	150.6	167.8	-77.8	-45.2	0	0	0	111.3	I400 S420 Q423 F493	I400-N418 WeakPolarHBondContact CD1-ND2 3.49Å; I400-N418 VanDerWaalsContact CD1-OD1 3.26Å; I400-N418 WeakPolarHBondContact CD1-OD1 3.16Å; N418-S420 PolarHBondContact O-N 2.82Å; N418-S420 VanDerWaalsContact O-N 3.13Å; N418-Q423 WeakPolarHBondContact O-CB 3.33Å; N418-Q423 WeakPolarHBondContact O-CG 2.94Å; N418-F493 WeakPolarHBondContact O-CZ 3.39Å
419	D	85.5	Confident	91	Very high	64 Å²	64	53.8 Å²	53.8	34%	0.342	28%	0.282	S	S	.	.	S	Bend	trans	-87.6	64.2	171.7	-142.2	-32.5	0	0	0	110.8	S455 R456 N490	D419-S455 VanDerWaalsContact OD1-CB 3.22Å; D419-S455 WeakPolarHBondContact OD1-CB 3.44Å; D419-S455 PolarHBondContact OD1-OG 2.81Å; D419-S455 VanDerWaalsContact OD2-CB 3.27Å; D419-S455 WeakPolarHBondContact OD2-CB 3.28Å; D419-S455 PolarHBondContact OD2-OG 2.96Å; D419-R456 HydrophobicContact CB-CG 4.35Å; D419-R456 IonicContact OD2-CZ 3.28Å; D419-R456 IonicContact OD2-NE 2.65Å; D419-R456 PolarHBondContact OD2-NE 3Å; D419-R456 IonicContact OD2-NH2 3.39Å; D419-N490 PolarHBondContact OD1-ND2 3.07Å
420	S	75	Confident	91.2	Very high	28 Å²	28	52.2 Å²	52.2	20%	0.196	29%	0.286	C	S	.	.	S	Bend	trans	-131.3	160.2	-172.6	67.3	0	0	0	0	112.1	N418 S422 Q423 N490	N418-S420 PolarHBondContact O-N 2.82Å; N418-S420 VanDerWaalsContact O-N 3.13Å; S420-S422 PolarHBondContact O-N 2.57Å; S420-S422 PolarHBondContact OG-OG 3.34Å; S420-S422 VanDerWaalsContact OG-OG 3.07Å; S420-Q423 PolarHBondContact O-N 2.99Å; S420-Q423 PolarHBondContact OG-N 3.46Å; S420-N490 PolarHBondContact O-ND2 3.46Å
421	H	70.5	Confident	91.3	Very high	162 Å²	162	54.8 Å²	54.8	75%	0.75	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.3	175.5	59.3	-93.7	0	0	0	113.5	A492	H421-A492 HydrophobicContact CB-CB 4.36Å; H421-A492 WeakPolarHBondContact O-CB 3.11Å
422	S	73.6	Confident	91.3	Very high	95 Å²	95	50.9 Å²	50.9	66%	0.664	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-5.3	-179.7	55.6	0	0	0	0	114.1	S420	S420-S422 PolarHBondContact O-N 2.57Å; S420-S422 PolarHBondContact OG-OG 3.34Å; S420-S422 VanDerWaalsContact OG-OG 3.07Å
423	Q	86.1	Confident	91.4	Very high	29 Å²	29	50 Å²	50	14%	0.136	27%	0.274	C	S	.	.			trans	-81	119.3	178.7	179.3	69.7	58	0	0	109.9	A417 N418 S420 L425 H428 F493 Q496	A417-Q423 HydrophobicContact CB-CG 4.02Å; N418-Q423 WeakPolarHBondContact O-CB 3.33Å; N418-Q423 WeakPolarHBondContact O-CG 2.94Å; S420-Q423 PolarHBondContact O-N 2.99Å; S420-Q423 PolarHBondContact OG-N 3.46Å; Q423-L425 PolarHBondContact O-N 3.4Å; Q423-H428 PolarHBondContact NE2-NE2 2.95Å; Q423-F493 HydrophobicContact CB-CE1 3.91Å; Q423-F493 HydrophobicContact CB-CZ 4.2Å; Q423-F493 HydrophobicContact CG-CE1 3.93Å; Q423-F493 HydrophobicContact CG-CZ 4.14Å; Q423-Q496 PolarHBondContact O-NE2 3.15Å
424	D	91.8	Very high	91.3	Very high	68 Å²	68	53.6 Å²	53.6	36%	0.364	29%	0.289	S	S	.	.			trans	-74.9	119.6	158.6	174.9	36.1	0	0	0	109.4	R426 S427	D424-R426 VanDerWaalsContact OD1-CB 3.29Å; D424-R426 WeakPolarHBondContact OD1-CB 3.17Å; D424-R426 PolarHBondContact OD1-N 3.45Å; D424-S427 PolarHBondContact O-OG 3.17Å; D424-S427 WeakPolarHBondContact OD2-CB 3.09Å; D424-S427 PolarHBondContact OD2-N 2.81Å; D424-S427 VanDerWaalsContact OD2-N 3.08Å; D424-S427 PolarHBondContact OD2-OG 3.08Å
425	L	93.2	Very high	91.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.278	C	S	.	.			trans	-98.5	-18.4	173.6	-165.5	67.8	0	0	0	111.2	V398 A417 Q423 S427 H428 F429 A459 F493 Q496	V398-L425 HydrophobicContact CG1-CD1 4.15Å; A417-L425 HydrophobicContact CB-CD1 3.97Å; Q423-L425 PolarHBondContact O-N 3.4Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 3.49Å; L425-H428 PolarHBondContact O-N 3.13Å; L425-H428 VanDerWaalsContact O-N 3.1Å; L425-F429 HydrophobicContact CB-CE1 4.36Å; L425-F429 HydrophobicContact CD2-CE1 4.19Å; L425-F429 HydrophobicContact CG-CE1 3.94Å; L425-F429 VanDerWaalsContact O-CD1 3.28Å; L425-F429 WeakPolarHBondContact O-CD1 3.4Å; L425-F429 WeakPolarHBondContact O-CE1 3.4Å; L425-A459 HydrophobicContact CD2-CB 3.65Å; L425-F493 HydrophobicContact CB-CD1 3.78Å; L425-F493 HydrophobicContact CB-CE1 3.77Å; L425-F493 HydrophobicContact CD2-CD1 4.03Å; L425-F493 HydrophobicContact CD2-CD2 4.19Å; L425-F493 HydrophobicContact CD2-CE1 4.24Å; L425-F493 HydrophobicContact CD2-CE2 4.4Å; L425-F493 HydrophobicContact CD2-CG 4.02Å; L425-F493 HydrophobicContact CD2-CZ 4.42Å; L425-F493 HydrophobicContact CG-CE1 4.44Å; L425-Q496 VanDerWaalsContact CB-OE1 3.31Å
426	R	93.2	Very high	91.4	Very high	55 Å²	55	50.4 Å²	50.4	21%	0.208	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-63.9	-38.1	-179.3	-59.8	-166.6	59.6	165.3	-1	111.9	D424 H428 F429 Q496 E499 D503	D424-R426 VanDerWaalsContact OD1-CB 3.29Å; D424-R426 WeakPolarHBondContact OD1-CB 3.17Å; D424-R426 PolarHBondContact OD1-N 3.45Å; R426-H428 PolarHBondContact O-N 3.28Å; R426-H428 VanDerWaalsContact O-N 3.09Å; R426-F429 HydrophobicContact CB-CD2 4.21Å; R426-F429 HydrophobicContact CB-CE2 4.16Å; R426-F429 HydrophobicContact CG-CD2 4.34Å; R426-F429 HydrophobicContact CG-CE2 3.82Å; R426-F429 HydrophobicContact CG-CZ 4.26Å; R426-F429 WeakPolarHBondContact O-CB 3.15Å; R426-F429 PolarHBondContact O-N 2.82Å; R426-Q496 HydrophobicContact CG-CB 3.67Å; R426-Q496 HydrophobicContact CG-CG 3.91Å; R426-E499 IonicContact NH1-OE2 3.58Å; R426-E499 PolarHBondContact NH1-OE2 3.2Å; R426-D503 IonicContact CZ-OD2 2.92Å; R426-D503 VanDerWaalsContact CZ-OD2 3.28Å; R426-D503 IonicContact NH1-OD2 3.51Å; R426-D503 PolarHBondContact NH1-OD2 3.48Å; R426-D503 IonicContact NH2-OD2 2.7Å; R426-D503 PolarHBondContact NH2-OD2 3.27Å
427	S	95.1	Very high	91.4	Very high	72 Å²	72	48.9 Å²	48.9	50%	0.503	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-53.6	-25.3	172.9	42.4	0	0	0	0	114.3	D424 L425	D424-S427 PolarHBondContact O-OG 3.17Å; D424-S427 WeakPolarHBondContact OD2-CB 3.09Å; D424-S427 PolarHBondContact OD2-N 2.81Å; D424-S427 VanDerWaalsContact OD2-N 3.08Å; D424-S427 PolarHBondContact OD2-OG 3.08Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 3.49Å
428	H	97.1	Very high	91.6	Very high	45 Å²	45	54.8 Å²	54.8	21%	0.208	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-91.6	-11.6	178.1	-66.2	-60.5	0	0	0	114.1	L415 P416 Q423 L425 R426 T430 T431 A432	L415-H428 HydrophobicContact CB-CB 4.42Å; L415-H428 HydrophobicContact CD1-CB 4.25Å; L415-H428 HydrophobicContact CD2-CB 4.32Å; P416-H428 WeakPolarHBondContact CD-CE1 3.38Å; P416-H428 PolarHBondContact O-NE2 2.87Å; Q423-H428 PolarHBondContact NE2-NE2 2.95Å; L425-H428 PolarHBondContact O-N 3.13Å; L425-H428 VanDerWaalsContact O-N 3.1Å; R426-H428 PolarHBondContact O-N 3.28Å; R426-H428 VanDerWaalsContact O-N 3.09Å; H428-T430 PolarHBondContact O-N 3.39Å; H428-T431 PolarHBondContact O-N 3.28Å; H428-A432 VanDerWaalsContact O-CB 3.25Å; H428-A432 WeakPolarHBondContact O-CB 3.39Å; H428-A432 PolarHBondContact O-N 3.39Å
429	F	96.3	Very high	92.1	Very high	11 Å²	11	51 Å²	51	5%	0.048	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-47	-172.5	-72.5	-8.2	0	0	0	112.7	L425 R426 T431 A432 F433 A463 L497 L500	L425-F429 HydrophobicContact CB-CE1 4.36Å; L425-F429 HydrophobicContact CD2-CE1 4.19Å; L425-F429 HydrophobicContact CG-CE1 3.94Å; L425-F429 VanDerWaalsContact O-CD1 3.28Å; L425-F429 WeakPolarHBondContact O-CD1 3.4Å; L425-F429 WeakPolarHBondContact O-CE1 3.4Å; R426-F429 HydrophobicContact CB-CD2 4.21Å; R426-F429 HydrophobicContact CB-CE2 4.16Å; R426-F429 HydrophobicContact CG-CD2 4.34Å; R426-F429 HydrophobicContact CG-CE2 3.82Å; R426-F429 HydrophobicContact CG-CZ 4.26Å; R426-F429 WeakPolarHBondContact O-CB 3.15Å; R426-F429 PolarHBondContact O-N 2.82Å; F429-T431 PolarHBondContact O-N 3Å; F429-A432 WeakPolarHBondContact O-CB 3.28Å; F429-A432 PolarHBondContact O-N 3.25Å; F429-F433 HydrophobicContact CB-CE1 4.1Å; F429-F433 HydrophobicContact CB-CE2 3.94Å; F429-F433 HydrophobicContact CB-CZ 3.68Å; F429-F433 HydrophobicContact CD2-CZ 4.3Å; F429-F433 HydrophobicContact CG-CE1 4.38Å; F429-F433 AromaticContact CG-CZ 3.94Å; F429-F433 HydrophobicContact CG-CZ 3.94Å; F429-F433 WeakPolarHBondContact O-CB 3.41Å; F429-F433 WeakPolarHBondContact O-CD1 3.12Å; F429-F433 WeakPolarHBondContact O-CD2 3.27Å; F429-F433 WeakPolarHBondContact O-CG 3.2Å; F429-F433 PolarHBondContact O-N 3.49Å; F429-A463 HydrophobicContact CD1-CB 4.03Å; F429-A463 HydrophobicContact CD2-CB 4.03Å; F429-A463 HydrophobicContact CE1-CB 3.67Å; F429-A463 HydrophobicContact CE2-CB 3.68Å; F429-A463 HydrophobicContact CG-CB 4.21Å; F429-A463 HydrophobicContact CZ-CB 3.5Å; F429-A463 VanDerWaalsContact CZ-CB 3.5Å; F429-L497 HydrophobicContact CZ-CD2 4.19Å; F429-L500 HydrophobicContact CD2-CD2 3.91Å; F429-L500 HydrophobicContact CE2-CD2 3.67Å
430	T	95.3	Very high	92.6	Very high	92 Å²	92	51.3 Å²	51.3	56%	0.564	27%	0.268	S	S	*	.	H	α-helix	trans	-58.2	-50.3	-179.1	-55.4	0	0	0	0	112.1	H428 A432 F433 Q434	H428-T430 PolarHBondContact O-N 3.39Å; T430-A432 PolarHBondContact O-N 3.28Å; T430-F433 PolarHBondContact O-N 3.37Å; T430-Q434 VanDerWaalsContact O-CG 3.3Å; T430-Q434 WeakPolarHBondContact O-CG 3.4Å; T430-Q434 PolarHBondContact O-N 2.98Å; T430-Q434 PolarHBondContact O-OE1 3.02Å
431	T	97.6	Very high	93.7	Very high	67 Å²	67	54.3 Å²	54.3	41%	0.411	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-40.9	178.5	-51.1	0	0	0	0	111.9	L415 H428 F429 F435	L415-T431 HydrophobicContact CD2-CG2 3.98Å; H428-T431 PolarHBondContact O-N 3.28Å; F429-T431 PolarHBondContact O-N 3Å; T431-F435 WeakPolarHBondContact O-CB 3.49Å; T431-F435 PolarHBondContact O-N 2.99Å
432	A	98.2	Very high	94.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-45.1	176.8	0	0	0	0	0	112.5	L396 L415 H428 F429 T430 F435 I436 L460	L396-A432 HydrophobicContact CD2-CB 4.16Å; L415-A432 HydrophobicContact CD1-CB 3.63Å; H428-A432 VanDerWaalsContact O-CB 3.25Å; H428-A432 WeakPolarHBondContact O-CB 3.39Å; H428-A432 PolarHBondContact O-N 3.39Å; F429-A432 WeakPolarHBondContact O-CB 3.28Å; F429-A432 PolarHBondContact O-N 3.25Å; T430-A432 PolarHBondContact O-N 3.28Å; A432-F435 PolarHBondContact O-N 3.21Å; A432-I436 VanDerWaalsContact O-CG1 3.27Å; A432-I436 WeakPolarHBondContact O-CG1 3.33Å; A432-I436 PolarHBondContact O-N 2.77Å; A432-L460 HydrophobicContact CB-CD1 3.65Å; A432-L460 HydrophobicContact CB-CD2 3.84Å; A432-L460 HydrophobicContact CB-CG 3.81Å
433	F	97.7	Very high	96	Very high	13 Å²	13	48.7 Å²	48.7	6%	0.057	28%	0.279	C	S	.	.	H	α-helix	trans	-68.1	-43.5	-178	-64.6	-4	0	0	0	111.3	F429 T430 F435 I436 E437 A463 Y464 N467 Y468	F429-F433 HydrophobicContact CB-CE1 4.1Å; F429-F433 HydrophobicContact CB-CE2 3.94Å; F429-F433 HydrophobicContact CB-CZ 3.68Å; F429-F433 HydrophobicContact CD2-CZ 4.3Å; F429-F433 HydrophobicContact CG-CE1 4.38Å; F429-F433 AromaticContact CG-CZ 3.94Å; F429-F433 HydrophobicContact CG-CZ 3.94Å; F429-F433 WeakPolarHBondContact O-CB 3.41Å; F429-F433 WeakPolarHBondContact O-CD1 3.12Å; F429-F433 WeakPolarHBondContact O-CD2 3.27Å; F429-F433 WeakPolarHBondContact O-CG 3.2Å; F429-F433 PolarHBondContact O-N 3.49Å; T430-F433 PolarHBondContact O-N 3.37Å; F433-F435 PolarHBondContact O-N 3.26Å; F433-I436 PolarHBondContact O-N 3.5Å; F433-E437 WeakPolarHBondContact O-CB 3.45Å; F433-E437 WeakPolarHBondContact O-CG 3.46Å; F433-E437 PolarHBondContact O-N 3.3Å; F433-A463 HydrophobicContact CE1-CB 4.06Å; F433-A463 HydrophobicContact CZ-CB 3.76Å; F433-Y464 HydrophobicContact CB-CD2 4.45Å; F433-Y464 AromaticContact CD1-CD2 3.91Å; F433-Y464 HydrophobicContact CD1-CD2 3.91Å; F433-Y464 HydrophobicContact CD1-CG 4.29Å; F433-Y464 VanDerWaalsContact CE1-N 3.33Å; F433-Y464 HydrophobicContact CG-CD2 4.24Å; F433-N467 HydrophobicContact CD2-CB 4.21Å; F433-N467 HydrophobicContact CE2-CB 3.63Å; F433-N467 HydrophobicContact CZ-CB 4.17Å; F433-Y468 HydrophobicContact CB-CE2 3.78Å; F433-Y468 AromaticContact CD2-CE2 3.88Å; F433-Y468 HydrophobicContact CD2-CE2 3.88Å; F433-Y468 AromaticContact CG-CE2 3.89Å; F433-Y468 HydrophobicContact CG-CE2 3.89Å
434	Q	97.3	Very high	96.6	Very high	101 Å²	101	52 Å²	52	47%	0.472	29%	0.292	S	S	.	.	H	α-helix	trans	-56.5	-50.3	173.7	-74.4	169.1	-28.8	0	0	111.1	T430 I436 E437 E438	T430-Q434 VanDerWaalsContact O-CG 3.3Å; T430-Q434 WeakPolarHBondContact O-CG 3.4Å; T430-Q434 PolarHBondContact O-N 2.98Å; T430-Q434 PolarHBondContact O-OE1 3.02Å; Q434-I436 PolarHBondContact O-N 2.84Å; Q434-E437 PolarHBondContact O-N 3.2Å; Q434-E438 WeakPolarHBondContact O-CB 3.27Å; Q434-E438 WeakPolarHBondContact O-CG 3.34Å; Q434-E438 PolarHBondContact O-N 2.98Å
435	F	98.5	Very high	96.9	Very high	16 Å²	16	49.7 Å²	49.7	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-44.4	178.7	-174.5	-97.7	0	0	0	113	L396 N411 C413 T431 A432 F433 E437 V439 V446	L396-F435 HydrophobicContact CB-CD1 3.96Å; L396-F435 HydrophobicContact CB-CE1 3.86Å; L396-F435 HydrophobicContact CD1-CD1 3.89Å; L396-F435 HydrophobicContact CD1-CE1 4.29Å; L396-F435 HydrophobicContact CD1-CG 4.35Å; L396-F435 HydrophobicContact CD2-CD1 4.31Å; L396-F435 HydrophobicContact CG-CD1 4.28Å; N411-F435 WeakPolarHBondContact ND2-CE2 3.48Å; N411-F435 WeakPolarHBondContact O-CZ 3.35Å; C413-F435 HydrophobicContact CB-CD1 4.19Å; C413-F435 HydrophobicContact CB-CD2 3.53Å; C413-F435 HydrophobicContact CB-CE1 4.05Å; C413-F435 HydrophobicContact CB-CE2 3.36Å; C413-F435 HydrophobicContact CB-CG 3.93Å; C413-F435 HydrophobicContact CB-CZ 3.63Å; T431-F435 WeakPolarHBondContact O-CB 3.49Å; T431-F435 PolarHBondContact O-N 2.99Å; A432-F435 PolarHBondContact O-N 3.21Å; F433-F435 PolarHBondContact O-N 3.26Å; F435-E437 PolarHBondContact O-N 3.03Å; F435-V439 HydrophobicContact CE1-CG2 4.38Å; F435-V439 VanDerWaalsContact O-CG2 3.3Å; F435-V439 WeakPolarHBondContact O-CG2 3.48Å; F435-V439 PolarHBondContact O-N 3.44Å; F435-V446 HydrophobicContact CD1-CG2 4.35Å; F435-V446 HydrophobicContact CE1-CG2 3.88Å
436	I	98.4	Very high	97.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-41.3	177.8	-67	165.7	0	0	0	111	F372 L373 L396 A432 F433 Q434 R440 V446 V448 L460 Y464	F372-I436 HydrophobicContact CE2-CG2 3.89Å; L373-I436 HydrophobicContact CD1-CG2 4.47Å; L396-I436 HydrophobicContact CD2-CD1 4.18Å; L396-I436 HydrophobicContact CD2-CG1 4.19Å; A432-I436 VanDerWaalsContact O-CG1 3.27Å; A432-I436 WeakPolarHBondContact O-CG1 3.33Å; A432-I436 PolarHBondContact O-N 2.77Å; F433-I436 PolarHBondContact O-N 3.5Å; Q434-I436 PolarHBondContact O-N 2.84Å; I436-R440 WeakPolarHBondContact O-CB 3.35Å; I436-R440 PolarHBondContact O-N 3.47Å; I436-V446 HydrophobicContact CG1-CG1 4.49Å; I436-V446 HydrophobicContact CG2-CG1 4.41Å; I436-V448 HydrophobicContact CD1-CG2 4.04Å; I436-V448 HydrophobicContact CG1-CG2 4.26Å; I436-L460 HydrophobicContact CD1-CD2 3.92Å; I436-Y464 HydrophobicContact CB-CE2 4.24Å; I436-Y464 HydrophobicContact CD1-CD2 4.42Å; I436-Y464 HydrophobicContact CD1-CG 4.25Å; I436-Y464 HydrophobicContact CG2-CD1 4.38Å; I436-Y464 HydrophobicContact CG2-CD2 4.32Å; I436-Y464 HydrophobicContact CG2-CE1 3.82Å; I436-Y464 HydrophobicContact CG2-CE2 3.74Å; I436-Y464 VanDerWaalsContact CG2-CZ 3.46Å
437	E	97.6	Very high	97.4	Very high	26 Å²	26	47 Å²	47	12%	0.121	27%	0.271	C	S	.	.	H	α-helix	trans	-70.2	-37.1	179.6	-77.9	-64.3	98.2	0	0	113.6	F433 Q434 F435 R440 C441 Y464 Y468 I515	F433-E437 WeakPolarHBondContact O-CB 3.45Å; F433-E437 WeakPolarHBondContact O-CG 3.46Å; F433-E437 PolarHBondContact O-N 3.3Å; Q434-E437 PolarHBondContact O-N 3.2Å; F435-E437 PolarHBondContact O-N 3.03Å; E437-R440 PolarHBondContact O-N 3.43Å; E437-R440 WeakPolarHBondContact OE1-CD 3.37Å; E437-R440 IonicContact OE1-CZ 2.87Å; E437-R440 IonicContact OE1-NE 3.37Å; E437-R440 PolarHBondContact OE1-NE 2.7Å; E437-R440 IonicContact OE1-NH2 3.22Å; E437-R440 IonicContact OE2-CZ 3.4Å; E437-R440 IonicContact OE2-NE 3.5Å; E437-R440 PolarHBondContact OE2-NE 3.24Å; E437-R440 IonicContact OE2-NH2 2.76Å; E437-R440 PolarHBondContact OE2-NH2 3.2Å; E437-C441 VanDerWaalsContact O-CB 3.25Å; E437-C441 WeakPolarHBondContact O-CB 3.44Å; E437-C441 PolarHBondContact O-N 2.85Å; E437-C441 PolarHBondContact O-SG 3.32Å; E437-Y464 HydrophobicContact CG-CE2 4.27Å; E437-Y464 PolarHBondContact OE1-OH 2.97Å; E437-Y468 HydrophobicContact CG-CD1 4.36Å; E437-Y468 HydrophobicContact CG-CE1 3.62Å; E437-Y468 HydrophobicContact CG-CE2 4.49Å; E437-I515 WeakPolarHBondContact OE2-CD1 3.33Å
438	E	97.6	Very high	97.6	Very high	124 Å²	124	43.6 Å²	43.6	58%	0.579	25%	0.247	S	C	*	.	H	α-helix	trans	-60.8	-47.2	173.4	-76.5	169.2	-166.1	0	0	110.9	Q434 C441 S442	Q434-E438 WeakPolarHBondContact O-CB 3.27Å; Q434-E438 WeakPolarHBondContact O-CG 3.34Å; Q434-E438 PolarHBondContact O-N 2.98Å; E438-C441 PolarHBondContact O-N 3.41Å; E438-S442 WeakPolarHBondContact O-CB 3.29Å; E438-S442 PolarHBondContact O-N 2.76Å; E438-S442 PolarHBondContact O-OG 3.29Å
439	V	98	Very high	97.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-47.7	176.5	179.4	0	0	0	0	110.5	S394 F435 C441 S442 G443 K444 V446	S394-V439 VanDerWaalsContact OG-CG2 3.27Å; S394-V439 WeakPolarHBondContact OG-CG2 3.5Å; F435-V439 HydrophobicContact CE1-CG2 4.38Å; F435-V439 VanDerWaalsContact O-CG2 3.3Å; F435-V439 WeakPolarHBondContact O-CG2 3.48Å; F435-V439 PolarHBondContact O-N 3.44Å; V439-C441 PolarHBondContact O-N 2.68Å; V439-S442 PolarHBondContact O-N 3.37Å; V439-S442 PolarHBondContact O-OG 3.44Å; V439-G443 PolarHBondContact O-N 2.71Å; V439-K444 HydrophobicContact CG1-CB 3.71Å; V439-K444 PolarHBondContact O-N 2.87Å; V439-V446 HydrophobicContact CB-CB 4.29Å; V439-V446 HydrophobicContact CB-CG1 4.44Å; V439-V446 HydrophobicContact CG1-CB 3.93Å; V439-V446 HydrophobicContact CG1-CG1 4.26Å; V439-V446 HydrophobicContact CG2-CB 4.39Å
440	R	97.2	Very high	97.6	Very high	71 Å²	71	41 Å²	41	27%	0.268	24%	0.235	S	C	.	.	H	α-helix	trans	-58.5	-46.6	177.7	-170.5	-169.5	64.8	63.2	3.7	112.3	F372 I436 E437 S442 G443	F372-R440 HydrophobicContact CB-CG 4.49Å; F372-R440 HydrophobicContact CD1-CG 3.84Å; F372-R440 HydrophobicContact CD2-CB 3.69Å; F372-R440 HydrophobicContact CD2-CG 3.69Å; F372-R440 HydrophobicContact CE1-CG 3.94Å; F372-R440 HydrophobicContact CE2-CB 3.88Å; F372-R440 HydrophobicContact CE2-CG 3.78Å; F372-R440 HydrophobicContact CG-CB 4.15Å; F372-R440 HydrophobicContact CG-CG 3.74Å; F372-R440 HydrophobicContact CZ-CB 4.49Å; F372-R440 VanDerWaalsContact CZ-CD 3.5Å; F372-R440 HydrophobicContact CZ-CG 3.92Å; I436-R440 WeakPolarHBondContact O-CB 3.35Å; I436-R440 PolarHBondContact O-N 3.47Å; E437-R440 PolarHBondContact O-N 3.43Å; E437-R440 WeakPolarHBondContact OE1-CD 3.37Å; E437-R440 IonicContact OE1-CZ 2.87Å; E437-R440 IonicContact OE1-NE 3.37Å; E437-R440 PolarHBondContact OE1-NE 2.7Å; E437-R440 IonicContact OE1-NH2 3.22Å; E437-R440 IonicContact OE2-CZ 3.4Å; E437-R440 IonicContact OE2-NE 3.5Å; E437-R440 PolarHBondContact OE2-NE 3.24Å; E437-R440 IonicContact OE2-NH2 2.76Å; E437-R440 PolarHBondContact OE2-NH2 3.2Å; R440-S442 VanDerWaalsContact C-N 3.28Å; R440-S442 PolarHBondContact O-N 2.87Å; R440-G443 PolarHBondContact O-N 3.5Å; R440-G443 VanDerWaalsContact O-N 3.15Å
441	C	96.4	Very high	97.3	Very high	91 Å²	91	40.7 Å²	40.7	62%	0.615	23%	0.227	S	C	*	.	H	α-helix	trans	-66.7	-29	179.1	-73.7	0	0	0	0	112.7	E437 E438 V439 G443	E437-C441 VanDerWaalsContact O-CB 3.25Å; E437-C441 WeakPolarHBondContact O-CB 3.44Å; E437-C441 PolarHBondContact O-N 2.85Å; E437-C441 PolarHBondContact O-SG 3.32Å; E438-C441 PolarHBondContact O-N 3.41Å; V439-C441 PolarHBondContact O-N 2.68Å; C441-G443 PolarHBondContact O-N 3.4Å
442	S	97.2	Very high	96.7	Very high	67 Å²	67	38.3 Å²	38.3	47%	0.469	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-1.1	173.8	74	0	0	0	0	114.6	E438 V439 R440 K444	E438-S442 WeakPolarHBondContact O-CB 3.29Å; E438-S442 PolarHBondContact O-N 2.76Å; E438-S442 PolarHBondContact O-OG 3.29Å; V439-S442 PolarHBondContact O-N 3.37Å; V439-S442 PolarHBondContact O-OG 3.44Å; R440-S442 VanDerWaalsContact C-N 3.28Å; R440-S442 PolarHBondContact O-N 2.87Å; S442-K444 VanDerWaalsContact C-N 3.25Å; S442-K444 PolarHBondContact O-N 2.99Å; S442-K444 WeakPolarHBondContact OG-CB 3.29Å; S442-K444 WeakPolarHBondContact OG-CD 3.39Å; S442-K444 WeakPolarHBondContact OG-CG 3.38Å
443	G	96.8	Very high	96.4	Very high	72 Å²	72	38.3 Å²	38.3	74%	0.742	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	14.7	-178.3	0	0	0	0	0	114.6	V439 R440 C441	V439-G443 PolarHBondContact O-N 2.71Å; R440-G443 PolarHBondContact O-N 3.5Å; R440-G443 VanDerWaalsContact O-N 3.15Å; C441-G443 PolarHBondContact O-N 3.4Å
444	K	98	Very high	95.9	Very high	97 Å²	97	38.7 Å²	38.7	42%	0.422	22%	0.218	S	C	.	.			trans	-97.5	174.3	-177	-74.1	-177.1	173.6	-171.6	0	112	D393 V439 S442	D393-K444 HydrophobicContact CB-CB 3.89Å; D393-K444 HydrophobicContact CB-CD 3.88Å; D393-K444 HydrophobicContact CB-CG 4.1Å; D393-K444 WeakPolarHBondContact OD2-CA 3.37Å; D393-K444 VanDerWaalsContact OD2-CB 3.26Å; D393-K444 WeakPolarHBondContact OD2-CB 3.38Å; V439-K444 HydrophobicContact CG1-CB 3.71Å; V439-K444 PolarHBondContact O-N 2.87Å; S442-K444 VanDerWaalsContact C-N 3.25Å; S442-K444 PolarHBondContact O-N 2.99Å; S442-K444 WeakPolarHBondContact OG-CB 3.29Å; S442-K444 WeakPolarHBondContact OG-CD 3.39Å; S442-K444 WeakPolarHBondContact OG-CG 3.38Å
445	T	98.3	Very high	95.4	Very high	21 Å²	21	34.1 Å²	34.1	13%	0.129	20%	0.197	C	C	.	.			trans	-115.6	143	175.8	88.1	0	0	0	0	113.7	F372 S391 I392 D393 S394	F372-T445 CarbonylContact O-C 3.5Å; F372-T445 WeakPolarHBondContact O-CA 3.08Å; S391-T445 PolarHBondContact O-OG1 2.84Å; I392-T445 WeakPolarHBondContact CA-OG1 3.49Å; D393-T445 PolarHBondContact N-O 2.99Å; D393-T445 PolarHBondContact OD2-N 2.86Å; S394-T445 PolarHBondContact N-O 3.1Å; S394-T445 VanDerWaalsContact N-O 3.09Å
446	V	98.6	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.6	178.7	53.7	0	0	0	0	111.6	F372 L373 Y374 S394 L396 F435 I436 V439 V448	F372-V446 WeakPolarHBondContact O-CG1 3.37Å; F372-V446 PolarHBondContact O-N 2.99Å; L373-V446 HydrophobicContact CD1-CG1 3.83Å; Y374-V446 PolarHBondContact N-O 2.86Å; S394-V446 VanDerWaalsContact O-CA 3.31Å; S394-V446 WeakPolarHBondContact O-CA 3.4Å; L396-V446 HydrophobicContact CB-CG2 4.24Å; F435-V446 HydrophobicContact CD1-CG2 4.35Å; F435-V446 HydrophobicContact CE1-CG2 3.88Å; I436-V446 HydrophobicContact CG1-CG1 4.49Å; I436-V446 HydrophobicContact CG2-CG1 4.41Å; V439-V446 HydrophobicContact CB-CB 4.29Å; V439-V446 HydrophobicContact CB-CG1 4.44Å; V439-V446 HydrophobicContact CG1-CB 3.93Å; V439-V446 HydrophobicContact CG1-CG1 4.26Å; V439-V446 HydrophobicContact CG2-CB 4.39Å; V446-V448 HydrophobicContact CG2-CG2 4.14Å
447	L	98.6	Very high	95.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.1	162.1	171	57.5	0	0	0	109.4	I366 D380 L387 I392 S394 L396 H449	I366-L447 HydrophobicContact CD1-CD1 3.86Å; I366-L447 HydrophobicContact CD1-CD2 4.35Å; I366-L447 HydrophobicContact CG1-CD1 4.08Å; D380-L447 HydrophobicContact CB-CD2 4.2Å; L387-L447 HydrophobicContact CD2-CD2 3.73Å; I392-L447 HydrophobicContact CD1-CB 4.17Å; I392-L447 HydrophobicContact CG1-CB 4.33Å; I392-L447 HydrophobicContact CG2-CB 3.76Å; S394-L447 PolarHBondContact O-N 2.67Å; L396-L447 PolarHBondContact N-O 3.23Å; L447-H449 HydrophobicContact CD1-CB 4.27Å; L447-H449 HydrophobicContact CG-CB 4.24Å
448	V	98.7	Very high	95.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.2	166.9	-173.9	0	0	0	0	108.5	L373 Y374 L375 G376 L396 V398 I436 V446 L460 I461	L373-V448 HydrophobicContact CD1-CG2 3.54Å; Y374-V448 PolarHBondContact O-N 2.86Å; L375-V448 WeakPolarHBondContact CA-O 3.25Å; G376-V448 PolarHBondContact N-O 2.83Å; G376-V448 VanDerWaalsContact N-O 3.11Å; L396-V448 HydrophobicContact CB-CB 4.43Å; L396-V448 HydrophobicContact CB-CG1 4.35Å; L396-V448 HydrophobicContact CB-CG2 4.07Å; L396-V448 HydrophobicContact CD2-CG1 4.08Å; L396-V448 HydrophobicContact CD2-CG2 4.03Å; L396-V448 HydrophobicContact CG-CG1 4.36Å; L396-V448 WeakPolarHBondContact O-CA 3.42Å; V398-V448 HydrophobicContact CG2-CG1 4.13Å; I436-V448 HydrophobicContact CD1-CG2 4.04Å; I436-V448 HydrophobicContact CG1-CG2 4.26Å; V446-V448 HydrophobicContact CG2-CG2 4.14Å; V448-L460 HydrophobicContact CG1-CD2 4.18Å; V448-I461 HydrophobicContact CB-CD1 4.11Å; V448-I461 HydrophobicContact CB-CG1 4.31Å; V448-I461 HydrophobicContact CG1-CG1 4.33Å
449	H	97.9	Very high	95.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.3	-178.2	81.2	105.4	0	0	0	112.8	G376 N377 L396 N397 V398 L447	G376-H449 WeakPolarHBondContact O-CA 3.37Å; G376-H449 WeakPolarHBondContact O-CB 3.32Å; N377-H449 WeakPolarHBondContact O-CB 3.27Å; N377-H449 PolarHBondContact O-ND1 2.91Å; L396-H449 PolarHBondContact O-N 2.98Å; N397-H449 WeakPolarHBondContact CB-NE2 3.3Å; N397-H449 VanDerWaalsContact CG-NE2 3.33Å; N397-H449 PolarHBondContact ND2-NE2 2.85Å; V398-H449 PolarHBondContact N-O 3.06Å; L447-H449 HydrophobicContact CD1-CB 4.27Å; L447-H449 HydrophobicContact CG-CB 4.24Å
450	C	95.3	Very high	95.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.162	C	C	.	.			trans	-130.7	-163.2	162.5	74.9	0	0	0	0	107.7	N377 E378 V398 T399 G453 R456 S457	N377-C450 CarbonylContact C-O 3.48Å; N377-C450 VanDerWaalsContact CA-O 3.31Å; N377-C450 WeakPolarHBondContact CA-O 3.17Å; E378-C450 PolarHBondContact N-O 2.77Å; V398-C450 HydrophobicContact CB-CB 4.26Å; T399-C450 HydrophobicContact CG2-CB 4.16Å; C450-G453 PolarHBondContact SG-N 3.38Å; C450-R456 HydrophobicContact CB-CB 3.74Å; C450-S457 PolarHBondContact N-OG 3.29Å; C450-S457 VanDerWaalsContact N-OG 3.14Å; C450-S457 PolarHBondContact SG-OG 2.85Å; C450-S457 VanDerWaalsContact SG-OG 3.38Å
451	Q	88.7	Confident	95.4	Very high	86 Å²	86	23.4 Å²	23.4	40%	0.402	15%	0.149	S	C	.	.	S	Bend	trans	-59.8	-57.1	-178.7	-165.4	179.5	-11.9	0	0	112.7	F362 N377 E378 T399	F362-Q451 HydrophobicContact CE1-CG 4.43Å; N377-Q451 WeakPolarHBondContact CB-O 3.17Å; E378-Q451 WeakPolarHBondContact CG-O 3.48Å; E378-Q451 PolarHBondContact N-O 2.92Å; E378-Q451 WeakPolarHBondContact OE1-CG 3.27Å; E378-Q451 WeakPolarHBondContact OE2-CG 3.44Å; T399-Q451 HydrophobicContact CG2-CB 4.46Å
452	A	85.6	Confident	95.5	Very high	17 Å²	17	19.1 Å²	19.1	14%	0.14	12%	0.12	C	C	.	.	S	Bend	trans	-99.9	-12.2	-178	0	0	0	0	0	114.3	I361 F362 N377 V454	I361-A452 HydrophobicContact CG2-CB 4Å; F362-A452 HydrophobicContact CD1-CB 4.42Å; F362-A452 HydrophobicContact CE1-CB 3.83Å; F362-A452 HydrophobicContact CZ-CB 4.01Å; N377-A452 WeakPolarHBondContact CB-O 3.28Å; A452-V454 VanDerWaalsContact C-N 3.25Å; A452-V454 HydrophobicContact CB-CB 4.25Å; A452-V454 HydrophobicContact CB-CG2 3.94Å; A452-V454 PolarHBondContact O-N 3.07Å
453	G	92.2	Very high	95.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	66.7	24.2	-171.8	0	0	0	0	0	114.2	G376 C450 P458 R484	G376-G453 WeakPolarHBondContact O-CA 3.41Å; C450-G453 PolarHBondContact SG-N 3.38Å; G453-P458 WeakPolarHBondContact O-CG 3.42Å; G453-R484 WeakPolarHBondContact O-CD 3.3Å; G453-R484 PolarHBondContact O-NE 2.92Å
454	V	86	Confident	95.6	Very high	21 Å²	21	12.5 Å²	12.5	13%	0.127	6%	0.063	C	C	.	.	S	Bend	trans	-107.8	-42.9	-172.1	170.8	0	0	0	0	113.2	I361 A452 P458 V486 A488	I361-V454 HydrophobicContact CB-CG2 4.38Å; I361-V454 HydrophobicContact CD1-CG2 3.88Å; I361-V454 HydrophobicContact CG1-CG2 3.78Å; I361-V454 HydrophobicContact CG2-CG2 3.75Å; A452-V454 VanDerWaalsContact C-N 3.25Å; A452-V454 HydrophobicContact CB-CB 4.25Å; A452-V454 HydrophobicContact CB-CG2 3.94Å; A452-V454 PolarHBondContact O-N 3.07Å; V454-P458 WeakPolarHBondContact O-CG 3.27Å; V454-V486 HydrophobicContact CG2-CG2 4.33Å; V454-A488 HydrophobicContact CG1-CB 3.96Å; V454-A488 CarbonylContact O-C 3.51Å; V454-A488 VanDerWaalsContact O-C 3.26Å; V454-A488 PolarHBondContact O-N 3.03Å
455	S	88.7	Confident	95.6	Very high	5 Å²	5	7.9 Å²	7.9	4%	0.035	4%	0.042	C	C	.	.	S	Bend	trans	-120.2	-67.3	-169.5	163.7	0	0	0	0	114.1	D419 P458 A459 A488 N490 F493	D419-S455 VanDerWaalsContact OD1-CB 3.22Å; D419-S455 WeakPolarHBondContact OD1-CB 3.44Å; D419-S455 PolarHBondContact OD1-OG 2.81Å; D419-S455 VanDerWaalsContact OD2-CB 3.27Å; D419-S455 WeakPolarHBondContact OD2-CB 3.28Å; D419-S455 PolarHBondContact OD2-OG 2.96Å; S455-P458 WeakPolarHBondContact O-CD 3.41Å; S455-A459 VanDerWaalsContact O-CB 3.23Å; S455-A459 WeakPolarHBondContact O-CB 3.47Å; S455-A459 PolarHBondContact O-N 3.44Å; S455-A488 WeakPolarHBondContact CB-O 3.5Å; S455-N490 PolarHBondContact OG-N 3.05Å; S455-F493 VanDerWaalsContact OG-CD2 3.32Å; S455-F493 WeakPolarHBondContact OG-CD2 3.45Å; S455-F493 WeakPolarHBondContact OG-CE2 3.43Å
456	R	97.5	Very high	95.5	Very high	14 Å²	14	6.9 Å²	6.9	5%	0.053	4%	0.036	C	C	.	.	H	α-helix	trans	-57.1	-58.1	-178.7	-73	167.9	-79.3	179.9	-4.3	114.7	V398 A417 D419 C450 A459 L460 F493	V398-R456 HydrophobicContact CB-CB 4.3Å; V398-R456 HydrophobicContact CG1-CB 3.88Å; V398-R456 WeakPolarHBondContact O-CD 3.41Å; A417-R456 VanDerWaalsContact O-CD 3.25Å; A417-R456 WeakPolarHBondContact O-CD 3.49Å; A417-R456 PolarHBondContact O-NH1 3.07Å; D419-R456 HydrophobicContact CB-CG 4.35Å; D419-R456 IonicContact OD2-CZ 3.28Å; D419-R456 IonicContact OD2-NE 2.65Å; D419-R456 PolarHBondContact OD2-NE 3Å; D419-R456 IonicContact OD2-NH2 3.39Å; C450-R456 HydrophobicContact CB-CB 3.74Å; R456-A459 PolarHBondContact O-N 2.97Å; R456-L460 PolarHBondContact O-N 3.45Å; R456-F493 HydrophobicContact CB-CE2 4.32Å; R456-F493 HydrophobicContact CG-CE2 3.52Å; R456-F493 HydrophobicContact CG-CZ 3.84Å
457	S	98.1	Very high	95.4	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-67.7	-39.2	-178.6	44.1	0	0	0	0	113.5	L375 C450 L460 I461	L375-S457 WeakPolarHBondContact CD1-OG 3.42Å; C450-S457 PolarHBondContact N-OG 3.29Å; C450-S457 VanDerWaalsContact N-OG 3.14Å; C450-S457 PolarHBondContact SG-OG 2.85Å; C450-S457 VanDerWaalsContact SG-OG 3.38Å; S457-L460 PolarHBondContact O-N 3.47Å; S457-I461 WeakPolarHBondContact O-CG1 3.28Å; S457-I461 PolarHBondContact O-N 3.19Å
458	P	97.5	Very high	95.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.9	-41.6	172.4	-27.8	39.2	0	0	0	113.6	L375 G453 V454 S455 L460 I461 I462 I487 P489	L375-P458 HydrophobicContact CD1-CG 3.96Å; L375-P458 HydrophobicContact CD2-CB 4.37Å; L375-P458 HydrophobicContact CD2-CG 4Å; G453-P458 WeakPolarHBondContact O-CG 3.42Å; V454-P458 WeakPolarHBondContact O-CG 3.27Å; S455-P458 WeakPolarHBondContact O-CD 3.41Å; P458-L460 VanDerWaalsContact C-N 3.34Å; P458-L460 PolarHBondContact O-N 3.48Å; P458-I461 PolarHBondContact O-N 3.44Å; P458-I462 WeakPolarHBondContact O-CD1 3.33Å; P458-I462 VanDerWaalsContact O-CG1 3.24Å; P458-I462 WeakPolarHBondContact O-CG1 3.42Å; P458-I462 PolarHBondContact O-N 3.48Å; P458-I487 HydrophobicContact CB-CB 3.8Å; P458-I487 HydrophobicContact CB-CD1 4.39Å; P458-I487 HydrophobicContact CB-CG2 3.6Å; P458-I487 HydrophobicContact CG-CB 3.93Å; P458-I487 HydrophobicContact CG-CG2 3.42Å; P458-I487 VanDerWaalsContact CG-CG2 3.42Å; P458-P489 HydrophobicContact CB-CG 4.37Å
459	A	96.9	Very high	95.1	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.4	-45.9	178	0	0	0	0	0	111.7	L425 S455 R456 I461 I462 A463 P489 F493 L497	L425-A459 HydrophobicContact CD2-CB 3.65Å; S455-A459 VanDerWaalsContact O-CB 3.23Å; S455-A459 WeakPolarHBondContact O-CB 3.47Å; S455-A459 PolarHBondContact O-N 3.44Å; R456-A459 PolarHBondContact O-N 2.97Å; A459-I461 PolarHBondContact O-N 3.35Å; A459-I462 PolarHBondContact O-N 3.45Å; A459-A463 PolarHBondContact O-N 3.15Å; A459-P489 HydrophobicContact CB-CB 4.1Å; A459-P489 HydrophobicContact CB-CG 4.16Å; A459-F493 HydrophobicContact CB-CB 3.92Å; A459-F493 HydrophobicContact CB-CD2 4.17Å; A459-F493 HydrophobicContact CB-CG 4.3Å; A459-L497 HydrophobicContact CB-CD1 4.13Å; A459-L497 WeakPolarHBondContact O-CD2 2.77Å
460	L	98.5	Very high	94.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-42.3	176.2	-177.5	166.5	0	0	0	112.1	L396 V398 L415 A432 I436 V448 R456 S457 P458 A463 Y464	L396-L460 HydrophobicContact CD2-CD1 4.21Å; L396-L460 HydrophobicContact CD2-CD2 4.23Å; V398-L460 HydrophobicContact CG1-CD1 4.41Å; V398-L460 HydrophobicContact CG2-CD1 3.68Å; L415-L460 HydrophobicContact CD1-CD1 3.79Å; A432-L460 HydrophobicContact CB-CD1 3.65Å; A432-L460 HydrophobicContact CB-CD2 3.84Å; A432-L460 HydrophobicContact CB-CG 3.81Å; I436-L460 HydrophobicContact CD1-CD2 3.92Å; V448-L460 HydrophobicContact CG1-CD2 4.18Å; R456-L460 PolarHBondContact O-N 3.45Å; S457-L460 PolarHBondContact O-N 3.47Å; P458-L460 VanDerWaalsContact C-N 3.34Å; P458-L460 PolarHBondContact O-N 3.48Å; L460-A463 WeakPolarHBondContact O-CB 3.29Å; L460-A463 PolarHBondContact O-N 2.84Å; L460-Y464 WeakPolarHBondContact O-CB 3.2Å; L460-Y464 PolarHBondContact O-N 3.43Å
461	I	98.6	Very high	94.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65	-41.7	175.4	-69.1	-178.3	0	0	0	111.4	I369 L373 L375 V448 S457 P458 A459 A463 Y464 L465 V480	I369-I461 HydrophobicContact CG1-CD1 4.11Å; I369-I461 HydrophobicContact CG1-CG2 4.43Å; I369-I461 HydrophobicContact CG2-CG2 4.1Å; L373-I461 HydrophobicContact CD1-CD1 4.38Å; L373-I461 HydrophobicContact CD2-CG2 4.3Å; L373-I461 HydrophobicContact CG-CD1 4.5Å; L375-I461 HydrophobicContact CB-CD1 3.68Å; L375-I461 HydrophobicContact CD1-CD1 3.81Å; L375-I461 HydrophobicContact CD2-CD1 4.25Å; L375-I461 HydrophobicContact CG-CD1 4.1Å; V448-I461 HydrophobicContact CB-CD1 4.11Å; V448-I461 HydrophobicContact CB-CG1 4.31Å; V448-I461 HydrophobicContact CG1-CG1 4.33Å; S457-I461 WeakPolarHBondContact O-CG1 3.28Å; S457-I461 PolarHBondContact O-N 3.19Å; P458-I461 PolarHBondContact O-N 3.44Å; A459-I461 PolarHBondContact O-N 3.35Å; I461-A463 VanDerWaalsContact C-N 3.32Å; I461-A463 PolarHBondContact O-N 3.49Å; I461-Y464 WeakPolarHBondContact O-CB 3.33Å; I461-Y464 PolarHBondContact O-N 3.38Å; I461-L465 HydrophobicContact CG2-CD1 3.87Å; I461-L465 WeakPolarHBondContact O-CD1 3.38Å; I461-L465 PolarHBondContact O-N 3.22Å; I461-V480 HydrophobicContact CG2-CG2 3.8Å
462	I	98.3	Very high	95.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.7	-42.5	176.9	-68	162.2	0	0	0	110.4	P458 A459 Y464 L465 M466 L473 A476 Y477 V480 I487 P489 L497	P458-I462 WeakPolarHBondContact O-CD1 3.33Å; P458-I462 VanDerWaalsContact O-CG1 3.24Å; P458-I462 WeakPolarHBondContact O-CG1 3.42Å; P458-I462 PolarHBondContact O-N 3.48Å; A459-I462 PolarHBondContact O-N 3.45Å; I462-Y464 PolarHBondContact O-N 2.83Å; I462-L465 PolarHBondContact O-N 3.04Å; I462-M466 HydrophobicContact CG2-CE 4.34Å; I462-M466 WeakPolarHBondContact O-CG 3.45Å; I462-M466 PolarHBondContact O-N 3.22Å; I462-L473 HydrophobicContact CG2-CD1 3.61Å; I462-A476 HydrophobicContact CG2-CB 4Å; I462-Y477 HydrophobicContact CD1-CD2 3.79Å; I462-Y477 HydrophobicContact CD1-CG 4.37Å; I462-V480 HydrophobicContact CG1-CB 4.33Å; I462-V480 HydrophobicContact CG1-CG2 4Å; I462-I487 HydrophobicContact CD1-CD1 4.2Å; I462-P489 HydrophobicContact CD1-CG 4.1Å; I462-L497 HydrophobicContact CB-CD1 4.33Å; I462-L497 HydrophobicContact CB-CD2 4.44Å; I462-L497 HydrophobicContact CG2-CD1 4.1Å; I462-L497 HydrophobicContact CG2-CD2 4.2Å
463	A	98.2	Very high	95.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.5	-45.1	173.7	0	0	0	0	0	112.1	F429 F433 A459 L460 I461 M466 N467 L497 L500	F429-A463 HydrophobicContact CD1-CB 4.03Å; F429-A463 HydrophobicContact CD2-CB 4.03Å; F429-A463 HydrophobicContact CE1-CB 3.67Å; F429-A463 HydrophobicContact CE2-CB 3.68Å; F429-A463 HydrophobicContact CG-CB 4.21Å; F429-A463 HydrophobicContact CZ-CB 3.5Å; F429-A463 VanDerWaalsContact CZ-CB 3.5Å; F433-A463 HydrophobicContact CE1-CB 4.06Å; F433-A463 HydrophobicContact CZ-CB 3.76Å; A459-A463 PolarHBondContact O-N 3.15Å; L460-A463 WeakPolarHBondContact O-CB 3.29Å; L460-A463 PolarHBondContact O-N 2.84Å; I461-A463 VanDerWaalsContact C-N 3.32Å; I461-A463 PolarHBondContact O-N 3.49Å; A463-M466 PolarHBondContact O-N 3.44Å; A463-N467 WeakPolarHBondContact O-CB 3.46Å; A463-N467 PolarHBondContact O-N 3.37Å; A463-L497 HydrophobicContact CB-CD2 3.63Å; A463-L500 HydrophobicContact CB-CD2 3.72Å
464	Y	98.2	Very high	95.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.2	-45.3	177.1	169.1	-106.6	0	0	0	111.8	F372 L373 F433 I436 E437 L460 I461 I462 M466 N467 Y468 L516	F372-Y464 HydrophobicContact CE2-CE1 4.47Å; F372-Y464 HydrophobicContact CZ-CE1 4.38Å; F372-Y464 WeakPolarHBondContact CZ-OH 3.44Å; L373-Y464 HydrophobicContact CD2-CD1 4.04Å; L373-Y464 HydrophobicContact CD2-CE1 3.91Å; F433-Y464 HydrophobicContact CB-CD2 4.45Å; F433-Y464 AromaticContact CD1-CD2 3.91Å; F433-Y464 HydrophobicContact CD1-CD2 3.91Å; F433-Y464 HydrophobicContact CD1-CG 4.29Å; F433-Y464 VanDerWaalsContact CE1-N 3.33Å; F433-Y464 HydrophobicContact CG-CD2 4.24Å; I436-Y464 HydrophobicContact CB-CE2 4.24Å; I436-Y464 HydrophobicContact CD1-CD2 4.42Å; I436-Y464 HydrophobicContact CD1-CG 4.25Å; I436-Y464 HydrophobicContact CG2-CD1 4.38Å; I436-Y464 HydrophobicContact CG2-CD2 4.32Å; I436-Y464 HydrophobicContact CG2-CE1 3.82Å; I436-Y464 HydrophobicContact CG2-CE2 3.74Å; I436-Y464 VanDerWaalsContact CG2-CZ 3.46Å; E437-Y464 HydrophobicContact CG-CE2 4.27Å; E437-Y464 PolarHBondContact OE1-OH 2.97Å; L460-Y464 WeakPolarHBondContact O-CB 3.2Å; L460-Y464 PolarHBondContact O-N 3.43Å; I461-Y464 WeakPolarHBondContact O-CB 3.33Å; I461-Y464 PolarHBondContact O-N 3.38Å; I462-Y464 PolarHBondContact O-N 2.83Å; Y464-M466 PolarHBondContact O-N 3.38Å; Y464-N467 PolarHBondContact O-N 2.65Å; Y464-Y468 AromaticContact CD2-CD2 3.46Å; Y464-Y468 HydrophobicContact CD2-CD2 3.46Å; Y464-Y468 VanDerWaalsContact CD2-CD2 3.46Å; Y464-Y468 AromaticContact CD2-CE2 3.77Å; Y464-Y468 HydrophobicContact CD2-CE2 3.77Å; Y464-Y468 HydrophobicContact CD2-CG 4.28Å; Y464-Y468 AromaticContact CE2-CD2 3.5Å; Y464-Y468 HydrophobicContact CE2-CD2 3.5Å; Y464-Y468 AromaticContact CE2-CE2 3.84Å; Y464-Y468 HydrophobicContact CE2-CE2 3.84Å; Y464-Y468 AromaticContact CE2-CG 3.91Å; Y464-Y468 HydrophobicContact CE2-CG 3.91Å; Y464-Y468 HydrophobicContact CG-CD2 4.43Å; Y464-Y468 WeakPolarHBondContact O-CD2 3.25Å; Y464-Y468 PolarHBondContact O-N 2.87Å; Y464-L516 HydrophobicContact CD1-CD1 4.35Å; Y464-L516 HydrophobicContact CE1-CD1 3.78Å; Y464-L516 HydrophobicContact CE1-CD2 4.46Å
465	L	97.6	Very high	95.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.5	-49.7	175.3	-97	59.1	0	0	0	111.4	I369 F370 I461 I462 N467 Y468 S469 L471 A476 Y479 V480 L516	I369-L465 HydrophobicContact CG2-CD1 4.4Å; F370-L465 HydrophobicContact CE2-CD1 3.78Å; F370-L465 HydrophobicContact CE2-CG 4.25Å; I461-L465 HydrophobicContact CG2-CD1 3.87Å; I461-L465 WeakPolarHBondContact O-CD1 3.38Å; I461-L465 PolarHBondContact O-N 3.22Å; I462-L465 PolarHBondContact O-N 3.04Å; L465-N467 VanDerWaalsContact C-N 3.26Å; L465-N467 PolarHBondContact O-N 2.86Å; L465-Y468 PolarHBondContact O-N 3.18Å; L465-S469 VanDerWaalsContact O-CB 3.26Å; L465-S469 WeakPolarHBondContact O-CB 3.49Å; L465-S469 PolarHBondContact O-N 3.13Å; L465-S469 PolarHBondContact O-OG 2.75Å; L465-L471 HydrophobicContact CD2-CD1 4.4Å; L465-A476 HydrophobicContact CB-CB 4.02Å; L465-Y479 HydrophobicContact CD2-CD1 3.52Å; L465-Y479 HydrophobicContact CD2-CE1 4.09Å; L465-Y479 HydrophobicContact CD2-CG 4.27Å; L465-V480 HydrophobicContact CD2-CG2 3.84Å; L465-L516 HydrophobicContact CD1-CD1 4.3Å; L465-L516 HydrophobicContact CG-CD1 4.48Å
466	M	96.8	Very high	95.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.8	-36.4	177	-68.8	-172.6	-63.2	0	0	112.6	I462 A463 Y464 L473 A476 L497 L500 E501 L504 R511	I462-M466 HydrophobicContact CG2-CE 4.34Å; I462-M466 WeakPolarHBondContact O-CG 3.45Å; I462-M466 PolarHBondContact O-N 3.22Å; A463-M466 PolarHBondContact O-N 3.44Å; Y464-M466 PolarHBondContact O-N 3.38Å; M466-L473 HydrophobicContact CE-CD1 4.14Å; M466-L473 WeakPolarHBondContact SD-CA 2.97Å; M466-L473 HydrophobicContact SD-CB 3.67Å; M466-L473 HydrophobicContact SD-CD1 4.02Å; M466-L473 HydrophobicContact SD-CG 4.42Å; M466-A476 HydrophobicContact CG-CB 3.93Å; M466-L497 HydrophobicContact CE-CB 4.28Å; M466-L497 HydrophobicContact CE-CD2 3.74Å; M466-L500 HydrophobicContact CE-CB 4.46Å; M466-L500 HydrophobicContact CE-CD2 3.86Å; M466-L500 HydrophobicContact CE-CG 4.22Å; M466-E501 HydrophobicContact SD-CB 4.09Å; M466-L504 HydrophobicContact CB-CD1 3.97Å; M466-R511 PolarHBondContact O-NH1 3.48Å
467	N	95.9	Very high	95.6	Very high	13 Å²	13	17.6 Å²	17.6	7%	0.07	10%	0.096	C	C	.	.	H	α-helix	trans	-78.5	-22.6	-176.6	-167.2	77.1	0	0	0	114.2	F433 A463 Y464 L465 Q512	F433-N467 HydrophobicContact CD2-CB 4.21Å; F433-N467 HydrophobicContact CE2-CB 3.63Å; F433-N467 HydrophobicContact CZ-CB 4.17Å; A463-N467 WeakPolarHBondContact O-CB 3.46Å; A463-N467 PolarHBondContact O-N 3.37Å; Y464-N467 PolarHBondContact O-N 2.65Å; L465-N467 VanDerWaalsContact C-N 3.26Å; L465-N467 PolarHBondContact O-N 2.86Å; N467-Q512 WeakPolarHBondContact ND2-CG 3.35Å; N467-Q512 PolarHBondContact O-N 2.94Å
468	Y	96.7	Very high	95.1	Very high	22 Å²	22	21.8 Å²	21.8	9%	0.086	12%	0.116	C	C	.	.	H	α-helix	trans	-120.9	15.4	-176.8	-69.6	-94.8	0	0	0	114.7	F433 E437 Y464 L465 Q512 S513 N514 I515 L516	F433-Y468 HydrophobicContact CB-CE2 3.78Å; F433-Y468 AromaticContact CD2-CE2 3.88Å; F433-Y468 HydrophobicContact CD2-CE2 3.88Å; F433-Y468 AromaticContact CG-CE2 3.89Å; F433-Y468 HydrophobicContact CG-CE2 3.89Å; E437-Y468 HydrophobicContact CG-CD1 4.36Å; E437-Y468 HydrophobicContact CG-CE1 3.62Å; E437-Y468 HydrophobicContact CG-CE2 4.49Å; Y464-Y468 AromaticContact CD2-CD2 3.46Å; Y464-Y468 HydrophobicContact CD2-CD2 3.46Å; Y464-Y468 VanDerWaalsContact CD2-CD2 3.46Å; Y464-Y468 AromaticContact CD2-CE2 3.77Å; Y464-Y468 HydrophobicContact CD2-CE2 3.77Å; Y464-Y468 HydrophobicContact CD2-CG 4.28Å; Y464-Y468 AromaticContact CE2-CD2 3.5Å; Y464-Y468 HydrophobicContact CE2-CD2 3.5Å; Y464-Y468 AromaticContact CE2-CE2 3.84Å; Y464-Y468 HydrophobicContact CE2-CE2 3.84Å; Y464-Y468 AromaticContact CE2-CG 3.91Å; Y464-Y468 HydrophobicContact CE2-CG 3.91Å; Y464-Y468 HydrophobicContact CG-CD2 4.43Å; Y464-Y468 WeakPolarHBondContact O-CD2 3.25Å; Y464-Y468 PolarHBondContact O-N 2.87Å; L465-Y468 PolarHBondContact O-N 3.18Å; Y468-Q512 HydrophobicContact CD1-CB 4.05Å; Y468-Q512 HydrophobicContact CE1-CB 3.64Å; Y468-Q512 HydrophobicContact CE1-CG 4.3Å; Y468-Q512 HydrophobicContact CE2-CB 4.45Å; Y468-Q512 HydrophobicContact CE2-CG 4.47Å; Y468-S513 CarbonylContact C-O 3.04Å; Y468-S513 WeakPolarHBondContact CA-O 3.42Å; Y468-N514 CarbonylContact O-C 3.55Å; Y468-I515 HydrophobicContact CD1-CD1 3.7Å; Y468-I515 HydrophobicContact CD1-CG1 3.97Å; Y468-I515 HydrophobicContact CE1-CD1 4.39Å; Y468-I515 PolarHBondContact O-N 2.8Å; Y468-L516 WeakPolarHBondContact O-CB 3.46Å; Y468-L516 VanDerWaalsContact O-CG 3.32Å; Y468-L516 WeakPolarHBondContact O-CG 3.41Å; Y468-L516 PolarHBondContact O-N 2.71Å; Y468-L516 VanDerWaalsContact O-N 3.09Å
469	S	94.6	Very high	95	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-146.3	174	174.6	76.1	0	0	0	0	111.2	L465 L471 R511 D517	L465-S469 VanDerWaalsContact O-CB 3.26Å; L465-S469 WeakPolarHBondContact O-CB 3.49Å; L465-S469 PolarHBondContact O-N 3.13Å; L465-S469 PolarHBondContact O-OG 2.75Å; S469-L471 VanDerWaalsContact C-N 3.3Å; S469-L471 WeakPolarHBondContact OG-CB 3.28Å; S469-L471 WeakPolarHBondContact OG-CG 3.45Å; S469-L471 PolarHBondContact OG-N 3.1Å; S469-R511 WeakPolarHBondContact O-CD 3.44Å; S469-R511 PolarHBondContact O-NH1 3.33Å; S469-D517 WeakPolarHBondContact CA-OD1 3.31Å; S469-D517 VanDerWaalsContact CB-OD1 3.24Å; S469-D517 WeakPolarHBondContact CB-OD1 3.22Å
470	S	92.8	Very high	94.9	Very high	70 Å²	70	23.1 Å²	23.1	49%	0.49	12%	0.121	S	C	.	.	S	Bend	trans	-79.3	-0.4	171.3	48.3	0	0	0	0	115.3	D517	S470-D517 WeakPolarHBondContact CB-OD2 3.46Å; S470-D517 PolarHBondContact N-OD1 2.69Å; S470-D517 VanDerWaalsContact OG-CG 3.23Å; S470-D517 PolarHBondContact OG-OD1 3.22Å; S470-D517 PolarHBondContact OG-OD2 3.13Å
471	L	94.6	Very high	94.3	Very high	29 Å²	29	25 Å²	25	15%	0.152	13%	0.129	C	C	.	.			trans	-64.7	147.1	-174.3	-63.1	-176.8	0	0	0	114.2	L465 S469 D475 A476 R511 L520	L465-L471 HydrophobicContact CD2-CD1 4.4Å; S469-L471 VanDerWaalsContact C-N 3.3Å; S469-L471 WeakPolarHBondContact OG-CB 3.28Å; S469-L471 WeakPolarHBondContact OG-CG 3.45Å; S469-L471 PolarHBondContact OG-N 3.1Å; L471-D475 HydrophobicContact CB-CB 4.2Å; L471-D475 HydrophobicContact CD2-CB 3.83Å; L471-D475 HydrophobicContact CG-CB 4.45Å; L471-A476 HydrophobicContact CB-CB 4.15Å; L471-A476 HydrophobicContact CD1-CB 4.19Å; L471-R511 PolarHBondContact O-NH1 3.22Å; L471-R511 PolarHBondContact O-NH2 3.18Å; L471-L520 HydrophobicContact CD1-CD1 3.7Å; L471-L520 HydrophobicContact CD1-CD2 3.94Å; L471-L520 HydrophobicContact CD2-CD1 3.91Å; L471-L520 HydrophobicContact CG-CD1 3.62Å
472	S	93.4	Very high	93.9	Very high	29 Å²	29	28.8 Å²	28.8	20%	0.203	16%	0.156	C	C	.	.			trans	-75	171.3	162.5	73.8	0	0	0	0	111.3	L474 D475 A476 E501	S472-L474 VanDerWaalsContact C-N 3.27Å; S472-L474 PolarHBondContact O-N 3.32Å; S472-L474 PolarHBondContact OG-N 2.89Å; S472-D475 VanDerWaalsContact CB-OD2 3.28Å; S472-D475 WeakPolarHBondContact CB-OD2 3.02Å; S472-D475 PolarHBondContact N-OD2 3.44Å; S472-D475 PolarHBondContact O-N 2.79Å; S472-D475 PolarHBondContact OG-N 3.09Å; S472-D475 VanDerWaalsContact OG-N 3.09Å; S472-D475 PolarHBondContact OG-OD2 3.08Å; S472-A476 WeakPolarHBondContact O-CB 3.45Å; S472-A476 PolarHBondContact O-N 3.47Å; S472-E501 WeakPolarHBondContact CA-OE1 3.5Å; S472-E501 VanDerWaalsContact CB-OE1 3.28Å; S472-E501 WeakPolarHBondContact CB-OE1 3.45Å
473	L	93	Very high	93.6	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.068	17%	0.168	C	C	.	.	H	α-helix	trans	-58.5	-41.1	170.2	174.9	53.8	0	0	0	111.4	I462 M466 Y477 M494 L497 Y498 E501	I462-L473 HydrophobicContact CG2-CD1 3.61Å; M466-L473 HydrophobicContact CE-CD1 4.14Å; M466-L473 WeakPolarHBondContact SD-CA 2.97Å; M466-L473 HydrophobicContact SD-CB 3.67Å; M466-L473 HydrophobicContact SD-CD1 4.02Å; M466-L473 HydrophobicContact SD-CG 4.42Å; L473-Y477 WeakPolarHBondContact O-CB 3.26Å; L473-Y477 PolarHBondContact O-N 3.07Å; L473-M494 HydrophobicContact CD1-CE 4.31Å; L473-M494 HydrophobicContact CD2-CE 4.18Å; L473-M494 HydrophobicContact CG-CE 4.39Å; L473-L497 HydrophobicContact CD1-CB 3.71Å; L473-L497 HydrophobicContact CD1-CD1 4.17Å; L473-L497 HydrophobicContact CD1-CG 4.43Å; L473-L497 HydrophobicContact CD2-CB 4.13Å; L473-Y498 HydrophobicContact CD2-CD2 4.48Å; L473-E501 HydrophobicContact CB-CB 4.27Å; L473-E501 VanDerWaalsContact CB-CD 3.49Å; L473-E501 HydrophobicContact CB-CG 4.44Å; L473-E501 WeakPolarHBondContact CB-OE2 3.48Å; L473-E501 PolarHBondContact N-OE1 2.81Å
474	L	89.1	Confident	93.2	Very high	72 Å²	72	32.1 Å²	32.1	38%	0.377	17%	0.169	S	C	.	.	H	α-helix	trans	-64.6	-47.9	179.4	-178.1	60.6	0	0	0	110.8	W343 S472 Y477 Q478	W343-L474 HydrophobicContact CZ3-CD2 4.48Å; S472-L474 VanDerWaalsContact C-N 3.27Å; S472-L474 PolarHBondContact O-N 3.32Å; S472-L474 PolarHBondContact OG-N 2.89Å; L474-Y477 PolarHBondContact O-N 3.45Å; L474-Q478 HydrophobicContact CD1-CG 4.38Å; L474-Q478 WeakPolarHBondContact O-CB 3.45Å; L474-Q478 VanDerWaalsContact O-CG 3.28Å; L474-Q478 WeakPolarHBondContact O-CG 3.22Å; L474-Q478 PolarHBondContact O-N 3.06Å
475	D	92.9	Very high	92.5	Very high	73 Å²	73	33.2 Å²	33.2	39%	0.39	18%	0.176	S	C	.	.	H	α-helix	trans	-69.2	-41.8	-178	-47.5	-47.3	0	0	0	111.2	L471 S472 Q478 Y479	L471-D475 HydrophobicContact CB-CB 4.2Å; L471-D475 HydrophobicContact CD2-CB 3.83Å; L471-D475 HydrophobicContact CG-CB 4.45Å; S472-D475 VanDerWaalsContact CB-OD2 3.28Å; S472-D475 WeakPolarHBondContact CB-OD2 3.02Å; S472-D475 PolarHBondContact N-OD2 3.44Å; S472-D475 PolarHBondContact O-N 2.79Å; S472-D475 PolarHBondContact OG-N 3.09Å; S472-D475 VanDerWaalsContact OG-N 3.09Å; S472-D475 PolarHBondContact OG-OD2 3.08Å; D475-Q478 PolarHBondContact O-N 3.1Å; D475-Y479 VanDerWaalsContact O-CB 3.26Å; D475-Y479 WeakPolarHBondContact O-CB 3.44Å; D475-Y479 PolarHBondContact O-N 3.08Å
476	A	95.4	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-41.6	175.4	0	0	0	0	0	111.6	I462 L465 M466 L471 S472 Y479 V480	I462-A476 HydrophobicContact CG2-CB 4Å; L465-A476 HydrophobicContact CB-CB 4.02Å; M466-A476 HydrophobicContact CG-CB 3.93Å; L471-A476 HydrophobicContact CB-CB 4.15Å; L471-A476 HydrophobicContact CD1-CB 4.19Å; S472-A476 WeakPolarHBondContact O-CB 3.45Å; S472-A476 PolarHBondContact O-N 3.47Å; A476-Y479 PolarHBondContact O-N 3.21Å; A476-V480 WeakPolarHBondContact O-CG2 3.46Å; A476-V480 PolarHBondContact O-N 3Å
477	Y	89.6	Confident	91	Very high	48 Å²	48	34 Å²	34	19%	0.188	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-49.2	172.8	-180	-80.7	0	0	0	111.2	I462 L473 L474 Y479 V480 K481 I487 P489 M494	I462-Y477 HydrophobicContact CD1-CD2 3.79Å; I462-Y477 HydrophobicContact CD1-CG 4.37Å; L473-Y477 WeakPolarHBondContact O-CB 3.26Å; L473-Y477 PolarHBondContact O-N 3.07Å; L474-Y477 PolarHBondContact O-N 3.45Å; Y477-Y479 PolarHBondContact O-N 3.14Å; Y477-V480 PolarHBondContact O-N 3.25Å; Y477-K481 HydrophobicContact CD1-CB 4.37Å; Y477-K481 HydrophobicContact CE1-CB 4.22Å; Y477-K481 HydrophobicContact CE1-CD 4.31Å; Y477-K481 HydrophobicContact CE1-CG 4.25Å; Y477-K481 WeakPolarHBondContact O-CB 3.47Å; Y477-K481 PolarHBondContact O-N 3.23Å; Y477-I487 HydrophobicContact CE2-CD1 4.45Å; Y477-P489 HydrophobicContact CE2-CG 4.47Å; Y477-M494 HydrophobicContact CD2-CE 4.43Å; Y477-M494 HydrophobicContact CD2-SD 4.21Å; Y477-M494 HydrophobicContact CE2-SD 4.29Å
478	Q	89.3	Confident	90.3	Very high	88 Å²	88	35.4 Å²	35.4	41%	0.411	19%	0.194	S	C	.	.	H	α-helix	trans	-62.3	-40.5	179.3	-74.7	179	2.8	0	0	112.2	L474 D475 V480 K481 S482	L474-Q478 HydrophobicContact CD1-CG 4.38Å; L474-Q478 WeakPolarHBondContact O-CB 3.45Å; L474-Q478 VanDerWaalsContact O-CG 3.28Å; L474-Q478 WeakPolarHBondContact O-CG 3.22Å; L474-Q478 PolarHBondContact O-N 3.06Å; D475-Q478 PolarHBondContact O-N 3.1Å; Q478-V480 PolarHBondContact O-N 3.23Å; Q478-K481 PolarHBondContact O-N 3.47Å; Q478-S482 WeakPolarHBondContact O-CB 3.31Å; Q478-S482 PolarHBondContact O-N 3.48Å; Q478-S482 PolarHBondContact O-OG 3.17Å
479	Y	94.5	Very high	89.5	Confident	29 Å²	29	34.9 Å²	34.9	11%	0.114	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-38.1	178.1	-178.1	-85.1	0	0	0	113	I369 F370 L465 D475 A476 Y477 S482 R483 L520 N523	I369-Y479 HydrophobicContact CG2-CE1 3.98Å; I369-Y479 PolarHBondContact O-OH 3.02Å; F370-Y479 WeakPolarHBondContact CD1-OH 3.44Å; F370-Y479 HydrophobicContact CE1-CE1 4.2Å; F370-Y479 AromaticContact CE1-CZ 3.8Å; F370-Y479 WeakPolarHBondContact CE1-OH 3.33Å; F370-Y479 HydrophobicContact CE2-CE1 4.47Å; F370-Y479 HydrophobicContact CZ-CE1 4.01Å; L465-Y479 HydrophobicContact CD2-CD1 3.52Å; L465-Y479 HydrophobicContact CD2-CE1 4.09Å; L465-Y479 HydrophobicContact CD2-CG 4.27Å; D475-Y479 VanDerWaalsContact O-CB 3.26Å; D475-Y479 WeakPolarHBondContact O-CB 3.44Å; D475-Y479 PolarHBondContact O-N 3.08Å; A476-Y479 PolarHBondContact O-N 3.21Å; Y477-Y479 PolarHBondContact O-N 3.14Å; Y479-S482 PolarHBondContact O-OG 3.41Å; Y479-R483 VanDerWaalsContact CE2-NH2 3.34Å; Y479-R483 VanDerWaalsContact CZ-NH2 3.31Å; Y479-R483 WeakPolarHBondContact O-CD 3.17Å; Y479-R483 PolarHBondContact O-NH1 3.09Å; Y479-R483 VanDerWaalsContact O-NH1 3.11Å; Y479-R483 VanDerWaalsContact OH-CZ 3.28Å; Y479-R483 PolarHBondContact OH-NE 2.98Å; Y479-R483 PolarHBondContact OH-NH2 3.27Å; Y479-R483 VanDerWaalsContact OH-NH2 3.12Å; Y479-L520 HydrophobicContact CD1-CD2 4.3Å; Y479-L520 HydrophobicContact CD2-CD2 3.6Å; Y479-L520 HydrophobicContact CE1-CD2 4.02Å; Y479-L520 HydrophobicContact CE2-CD2 3.26Å; Y479-L520 HydrophobicContact CG-CD2 4.11Å; Y479-L520 VanDerWaalsContact CZ-CD2 3.5Å; Y479-N523 PolarHBondContact OH-ND2 3.31Å
480	V	94.1	Very high	88.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-77.9	-38	174.4	-174.7	0	0	0	0	110.4	I369 L375 I461 I462 L465 A476 Y477 Q478 S482 R483 R484 I487	I369-V480 HydrophobicContact CD1-CG1 4.01Å; L375-V480 HydrophobicContact CD2-CG1 3.6Å; I461-V480 HydrophobicContact CG2-CG2 3.8Å; I462-V480 HydrophobicContact CG1-CB 4.33Å; I462-V480 HydrophobicContact CG1-CG2 4Å; L465-V480 HydrophobicContact CD2-CG2 3.84Å; A476-V480 WeakPolarHBondContact O-CG2 3.46Å; A476-V480 PolarHBondContact O-N 3Å; Y477-V480 PolarHBondContact O-N 3.25Å; Q478-V480 PolarHBondContact O-N 3.23Å; V480-S482 PolarHBondContact O-N 3.41Å; V480-R483 PolarHBondContact O-N 3.45Å; V480-R483 VanDerWaalsContact O-N 3.14Å; V480-R484 PolarHBondContact O-N 2.96Å; V480-I487 HydrophobicContact CB-CD1 3.82Å; V480-I487 HydrophobicContact CG1-CD1 3.76Å; V480-I487 HydrophobicContact CG1-CG2 4.3Å
481	K	87.8	Confident	87.6	Confident	38 Å²	38	37.7 Å²	37.7	17%	0.165	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-38.1	177.8	-172.4	69.3	167.5	-179.4	0	112.7	Y477 Q478 R483 R484 S485 I487	Y477-K481 HydrophobicContact CD1-CB 4.37Å; Y477-K481 HydrophobicContact CE1-CB 4.22Å; Y477-K481 HydrophobicContact CE1-CD 4.31Å; Y477-K481 HydrophobicContact CE1-CG 4.25Å; Y477-K481 WeakPolarHBondContact O-CB 3.47Å; Y477-K481 PolarHBondContact O-N 3.23Å; Q478-K481 PolarHBondContact O-N 3.47Å; K481-R483 PolarHBondContact O-N 3.11Å; K481-R484 CarbonylContact O-C 3.53Å; K481-S485 WeakPolarHBondContact CD-O 3.39Å; K481-S485 WeakPolarHBondContact CE-O 3.41Å; K481-S485 PolarHBondContact NZ-O 2.93Å; K481-S485 VanDerWaalsContact O-CA 3.28Å; K481-S485 WeakPolarHBondContact O-CA 3.43Å; K481-S485 PolarHBondContact O-N 3.24Å; K481-I487 HydrophobicContact CB-CD1 3.98Å; K481-I487 HydrophobicContact CB-CG1 4.08Å; K481-I487 HydrophobicContact CD-CD1 4.34Å; K481-I487 HydrophobicContact CD-CG1 3.52Å; K481-I487 HydrophobicContact CG-CG1 4.42Å; K481-I487 PolarHBondContact NZ-O 2.92Å
482	S	89.2	Confident	86.5	Confident	81 Å²	81	37.4 Å²	37.4	57%	0.566	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.6	176.6	61.1	0	0	0	0	113.5	Q478 Y479 V480	Q478-S482 WeakPolarHBondContact O-CB 3.31Å; Q478-S482 PolarHBondContact O-N 3.48Å; Q478-S482 PolarHBondContact O-OG 3.17Å; Y479-S482 PolarHBondContact O-OG 3.41Å; V480-S482 PolarHBondContact O-N 3.41Å
483	R	92.5	Very high	86.2	Confident	65 Å²	65	36 Å²	36	25%	0.245	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-31.1	178.3	-67.2	170.7	167.7	58.2	11.7	113.2	S367 R368 I369 Y479 V480 K481 N523	S367-R483 WeakPolarHBondContact CB-O 3.38Å; R368-R483 WeakPolarHBondContact O-CD 3.27Å; I369-R483 HydrophobicContact CD1-CB 3.96Å; I369-R483 PolarHBondContact O-NE 3.06Å; Y479-R483 VanDerWaalsContact CE2-NH2 3.34Å; Y479-R483 VanDerWaalsContact CZ-NH2 3.31Å; Y479-R483 WeakPolarHBondContact O-CD 3.17Å; Y479-R483 PolarHBondContact O-NH1 3.09Å; Y479-R483 VanDerWaalsContact O-NH1 3.11Å; Y479-R483 VanDerWaalsContact OH-CZ 3.28Å; Y479-R483 PolarHBondContact OH-NE 2.98Å; Y479-R483 PolarHBondContact OH-NH2 3.27Å; Y479-R483 VanDerWaalsContact OH-NH2 3.12Å; V480-R483 PolarHBondContact O-N 3.45Å; V480-R483 VanDerWaalsContact O-N 3.14Å; K481-R483 PolarHBondContact O-N 3.11Å; R483-N523 VanDerWaalsContact NH2-CB 3.29Å
484	R	89.6	Confident	85.8	Confident	4 Å²	4	37.9 Å²	37.9	2%	0.015	20%	0.2	C	C	.	.			trans	-133.6	94.2	171.9	-171.4	171	-175.6	81.9	0.5	108.9	A364 E365 S367 L375 G453 V480 K481 V486 I487	A364-R484 PolarHBondContact O-NH1 3.28Å; A364-R484 PolarHBondContact O-NH2 3.33Å; E365-R484 PolarHBondContact O-NH1 3.42Å; S367-R484 WeakPolarHBondContact OG-CB 3.3Å; S367-R484 WeakPolarHBondContact OG-CG 3.21Å; S367-R484 PolarHBondContact OG-NH1 3.4Å; S367-R484 VanDerWaalsContact OG-NH1 3.07Å; L375-R484 HydrophobicContact CD2-CB 4.04Å; L375-R484 HydrophobicContact CD2-CG 4.4Å; G453-R484 WeakPolarHBondContact O-CD 3.3Å; G453-R484 PolarHBondContact O-NE 2.92Å; V480-R484 PolarHBondContact O-N 2.96Å; K481-R484 CarbonylContact O-C 3.53Å; R484-V486 HydrophobicContact CG-CG2 3.73Å; R484-V486 PolarHBondContact O-N 3.19Å; R484-V486 VanDerWaalsContact O-N 3.1Å; R484-I487 HydrophobicContact CB-CG2 3.88Å; R484-I487 HydrophobicContact CG-CG2 3.9Å; R484-I487 WeakPolarHBondContact O-CG2 3.02Å; R484-I487 PolarHBondContact O-N 3.23Å
485	S	82.5	Confident	85.3	Confident	23 Å²	23	36 Å²	36	16%	0.161	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.8	-176	65.1	0	0	0	0	113.3	D354 P355 K481 I487	D354-S485 WeakPolarHBondContact OD1-CB 3.26Å; D354-S485 PolarHBondContact OD1-OG 3.27Å; P355-S485 WeakPolarHBondContact CD-OG 3.3Å; K481-S485 WeakPolarHBondContact CD-O 3.39Å; K481-S485 WeakPolarHBondContact CE-O 3.41Å; K481-S485 PolarHBondContact NZ-O 2.93Å; K481-S485 VanDerWaalsContact O-CA 3.28Å; K481-S485 WeakPolarHBondContact O-CA 3.43Å; K481-S485 PolarHBondContact O-N 3.24Å; S485-I487 VanDerWaalsContact C-N 3.32Å; S485-I487 PolarHBondContact O-N 2.83Å
486	V	80.4	Confident	85.2	Confident	16 Å²	16	33.5 Å²	33.5	10%	0.097	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.2	-177.9	-58.2	0	0	0	0	115.6	P355 I361 A364 V454 R484 A488	P355-V486 HydrophobicContact CG-CG1 4.06Å; I361-V486 HydrophobicContact CG1-CB 3.84Å; I361-V486 HydrophobicContact CG1-CG1 4.03Å; I361-V486 HydrophobicContact CG1-CG2 4.46Å; A364-V486 HydrophobicContact CB-CB 4.38Å; A364-V486 HydrophobicContact CB-CG1 3.83Å; A364-V486 HydrophobicContact CB-CG2 3.63Å; V454-V486 HydrophobicContact CG2-CG2 4.33Å; R484-V486 HydrophobicContact CG-CG2 3.73Å; R484-V486 PolarHBondContact O-N 3.19Å; R484-V486 VanDerWaalsContact O-N 3.1Å; V486-A488 PolarHBondContact O-N 3.39Å
487	I	83.7	Confident	85	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.			trans	-64.8	138.6	-177.8	72.4	169.4	0	0	0	112.4	L375 P458 I462 Y477 V480 K481 R484 S485	L375-I487 HydrophobicContact CD2-CG2 4.01Å; P458-I487 HydrophobicContact CB-CB 3.8Å; P458-I487 HydrophobicContact CB-CD1 4.39Å; P458-I487 HydrophobicContact CB-CG2 3.6Å; P458-I487 HydrophobicContact CG-CB 3.93Å; P458-I487 HydrophobicContact CG-CG2 3.42Å; P458-I487 VanDerWaalsContact CG-CG2 3.42Å; I462-I487 HydrophobicContact CD1-CD1 4.2Å; Y477-I487 HydrophobicContact CE2-CD1 4.45Å; V480-I487 HydrophobicContact CB-CD1 3.82Å; V480-I487 HydrophobicContact CG1-CD1 3.76Å; V480-I487 HydrophobicContact CG1-CG2 4.3Å; K481-I487 HydrophobicContact CB-CD1 3.98Å; K481-I487 HydrophobicContact CB-CG1 4.08Å; K481-I487 HydrophobicContact CD-CD1 4.34Å; K481-I487 HydrophobicContact CD-CG1 3.52Å; K481-I487 HydrophobicContact CG-CG1 4.42Å; K481-I487 PolarHBondContact NZ-O 2.92Å; R484-I487 HydrophobicContact CB-CG2 3.88Å; R484-I487 HydrophobicContact CG-CG2 3.9Å; R484-I487 WeakPolarHBondContact O-CG2 3.02Å; R484-I487 PolarHBondContact O-N 3.23Å; S485-I487 VanDerWaalsContact C-N 3.32Å; S485-I487 PolarHBondContact O-N 2.83Å
488	A	79.6	Confident	85	Confident	43 Å²	43	38.5 Å²	38.5	36%	0.355	20%	0.204	S	C	.	.			trans	-159.6	77.7	172.8	0	0	0	0	0	109.5	V454 S455 V486 N490	V454-A488 HydrophobicContact CG1-CB 3.96Å; V454-A488 CarbonylContact O-C 3.51Å; V454-A488 VanDerWaalsContact O-C 3.26Å; V454-A488 PolarHBondContact O-N 3.03Å; S455-A488 WeakPolarHBondContact CB-O 3.5Å; V486-A488 PolarHBondContact O-N 3.39Å; A488-N490 PolarHBondContact O-N 3.29Å
489	P	81.8	Confident	85	Confident	11 Å²	11	39.2 Å²	39.2	7%	0.071	21%	0.207	C	C	.	.			trans	-41.9	132.4	163.5	-31.7	37.1	0	0	0	112.5	P458 A459 I462 Y477 F493 M494	P458-P489 HydrophobicContact CB-CG 4.37Å; A459-P489 HydrophobicContact CB-CB 4.1Å; A459-P489 HydrophobicContact CB-CG 4.16Å; I462-P489 HydrophobicContact CD1-CG 4.1Å; Y477-P489 HydrophobicContact CE2-CG 4.47Å; P489-F493 HydrophobicContact CB-CB 4.37Å; P489-M494 HydrophobicContact CB-CG 4Å; P489-M494 HydrophobicContact CB-SD 3.78Å; P489-M494 HydrophobicContact CG-SD 4.19Å
490	N	76.5	Confident	85	Confident	31 Å²	31	38 Å²	38	17%	0.166	20%	0.202	C	C	.	.			trans	-62.6	160.3	176	82.7	48	0	0	0	110.8	D419 S420 S455 A488 A492 F493 M494	D419-N490 PolarHBondContact OD1-ND2 3.07Å; S420-N490 PolarHBondContact O-ND2 3.46Å; S455-N490 PolarHBondContact OG-N 3.05Å; A488-N490 PolarHBondContact O-N 3.29Å; N490-A492 VanDerWaalsContact C-N 3.26Å; N490-A492 PolarHBondContact O-N 3.49Å; N490-A492 WeakPolarHBondContact OD1-CB 3.41Å; N490-A492 PolarHBondContact OD1-N 3.19Å; N490-F493 HydrophobicContact CB-CD2 4.49Å; N490-F493 VanDerWaalsContact ND2-CD2 3.31Å; N490-F493 WeakPolarHBondContact ND2-CD2 3.46Å; N490-F493 WeakPolarHBondContact ND2-CE2 3.35Å; N490-F493 WeakPolarHBondContact ND2-CZ 3.5Å; N490-F493 PolarHBondContact O-N 2.91Å; N490-F493 VanDerWaalsContact O-N 3.1Å; N490-F493 PolarHBondContact OD1-N 2.87Å; N490-F493 VanDerWaalsContact OD1-N 3.14Å; N490-M494 PolarHBondContact O-N 2.89Å
491	F	70.1	Confident	85	Confident	98 Å²	98	39.8 Å²	39.8	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-64.7	-24.4	-171.3	-67	-63.5	0	0	0	115.1	K153 R156 G495	K153-F491 HydrophobicContact CG-CE2 4.3Å; R156-F491 VanDerWaalsContact NH1-CD2 3.26Å; F491-G495 PolarHBondContact O-N 3.19Å; F491-G495 VanDerWaalsContact O-N 3.09Å
492	A	72.3	Confident	85.2	Confident	23 Å²	23	40.3 Å²	40.3	19%	0.19	22%	0.219	C	C	.	.	H	α-helix	trans	-74.5	-40.4	174.3	0	0	0	0	0	111	H421 N490 G495 Q496	H421-A492 HydrophobicContact CB-CB 4.36Å; H421-A492 WeakPolarHBondContact O-CB 3.11Å; N490-A492 VanDerWaalsContact C-N 3.26Å; N490-A492 PolarHBondContact O-N 3.49Å; N490-A492 WeakPolarHBondContact OD1-CB 3.41Å; N490-A492 PolarHBondContact OD1-N 3.19Å; A492-G495 PolarHBondContact O-N 3.23Å; A492-Q496 WeakPolarHBondContact O-CG 3.38Å; A492-Q496 PolarHBondContact O-N 3.29Å
493	F	86.4	Confident	85.4	Confident	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-39.8	172.2	-59.2	-22.2	0	0	0	111.9	N418 Q423 L425 S455 R456 A459 P489 N490 G495 Q496 L497	N418-F493 WeakPolarHBondContact O-CZ 3.39Å; Q423-F493 HydrophobicContact CB-CE1 3.91Å; Q423-F493 HydrophobicContact CB-CZ 4.2Å; Q423-F493 HydrophobicContact CG-CE1 3.93Å; Q423-F493 HydrophobicContact CG-CZ 4.14Å; L425-F493 HydrophobicContact CB-CD1 3.78Å; L425-F493 HydrophobicContact CB-CE1 3.77Å; L425-F493 HydrophobicContact CD2-CD1 4.03Å; L425-F493 HydrophobicContact CD2-CD2 4.19Å; L425-F493 HydrophobicContact CD2-CE1 4.24Å; L425-F493 HydrophobicContact CD2-CE2 4.4Å; L425-F493 HydrophobicContact CD2-CG 4.02Å; L425-F493 HydrophobicContact CD2-CZ 4.42Å; L425-F493 HydrophobicContact CG-CE1 4.44Å; S455-F493 VanDerWaalsContact OG-CD2 3.32Å; S455-F493 WeakPolarHBondContact OG-CD2 3.45Å; S455-F493 WeakPolarHBondContact OG-CE2 3.43Å; R456-F493 HydrophobicContact CB-CE2 4.32Å; R456-F493 HydrophobicContact CG-CE2 3.52Å; R456-F493 HydrophobicContact CG-CZ 3.84Å; A459-F493 HydrophobicContact CB-CB 3.92Å; A459-F493 HydrophobicContact CB-CD2 4.17Å; A459-F493 HydrophobicContact CB-CG 4.3Å; P489-F493 HydrophobicContact CB-CB 4.37Å; N490-F493 HydrophobicContact CB-CD2 4.49Å; N490-F493 VanDerWaalsContact ND2-CD2 3.31Å; N490-F493 WeakPolarHBondContact ND2-CD2 3.46Å; N490-F493 WeakPolarHBondContact ND2-CE2 3.35Å; N490-F493 WeakPolarHBondContact ND2-CZ 3.5Å; N490-F493 PolarHBondContact O-N 2.91Å; N490-F493 VanDerWaalsContact O-N 3.1Å; N490-F493 PolarHBondContact OD1-N 2.87Å; N490-F493 VanDerWaalsContact OD1-N 3.14Å; F493-G495 VanDerWaalsContact C-N 3.3Å; F493-G495 PolarHBondContact O-N 2.81Å; F493-Q496 PolarHBondContact O-N 2.65Å; F493-L497 WeakPolarHBondContact O-CB 3.25Å; F493-L497 WeakPolarHBondContact O-CG 3.31Å; F493-L497 PolarHBondContact O-N 2.95Å
494	M	85.5	Confident	85.5	Confident	51 Å²	51	35 Å²	35	25%	0.251	19%	0.189	S	C	.	.	H	α-helix	trans	-61.5	-37.1	172.4	-73.1	-56.6	-55	0	0	112.6	L473 Y477 P489 N490 L497 Y498	L473-M494 HydrophobicContact CD1-CE 4.31Å; L473-M494 HydrophobicContact CD2-CE 4.18Å; L473-M494 HydrophobicContact CG-CE 4.39Å; Y477-M494 HydrophobicContact CD2-CE 4.43Å; Y477-M494 HydrophobicContact CD2-SD 4.21Å; Y477-M494 HydrophobicContact CE2-SD 4.29Å; P489-M494 HydrophobicContact CB-CG 4Å; P489-M494 HydrophobicContact CB-SD 3.78Å; P489-M494 HydrophobicContact CG-SD 4.19Å; N490-M494 PolarHBondContact O-N 2.89Å; M494-L497 PolarHBondContact O-N 2.75Å; M494-L497 HydrophobicContact SD-CD1 4.08Å; M494-Y498 WeakPolarHBondContact O-CB 3.38Å; M494-Y498 PolarHBondContact O-N 3.41Å
495	G	77.5	Confident	85.5	Confident	32 Å²	32	39.7 Å²	39.7	33%	0.33	22%	0.219	S	C	.	.	H	α-helix	trans	-62.7	-49.7	172.3	0	0	0	0	0	112.2	F491 A492 F493 L497 Y498 E499	F491-G495 PolarHBondContact O-N 3.19Å; F491-G495 VanDerWaalsContact O-N 3.09Å; A492-G495 PolarHBondContact O-N 3.23Å; F493-G495 VanDerWaalsContact C-N 3.3Å; F493-G495 PolarHBondContact O-N 2.81Å; G495-L497 VanDerWaalsContact C-N 3.28Å; G495-L497 PolarHBondContact O-N 2.79Å; G495-Y498 WeakPolarHBondContact O-CB 3.37Å; G495-Y498 PolarHBondContact O-N 3.18Å; G495-Y498 VanDerWaalsContact O-N 3.11Å; G495-E499 WeakPolarHBondContact O-CG 3.49Å; G495-E499 PolarHBondContact O-N 3.2Å
496	Q	90.3	Very high	86	Confident	22 Å²	22	41.9 Å²	41.9	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-34.8	176.9	-72.9	166.7	32.5	0	0	113.3	Q423 L425 R426 A492 F493 L500	Q423-Q496 PolarHBondContact O-NE2 3.15Å; L425-Q496 VanDerWaalsContact CB-OE1 3.31Å; R426-Q496 HydrophobicContact CG-CB 3.67Å; R426-Q496 HydrophobicContact CG-CG 3.91Å; A492-Q496 WeakPolarHBondContact O-CG 3.38Å; A492-Q496 PolarHBondContact O-N 3.29Å; F493-Q496 PolarHBondContact O-N 2.65Å; Q496-L500 WeakPolarHBondContact O-CB 3.5Å; Q496-L500 PolarHBondContact O-N 3.43Å
497	L	91.4	Very high	86.3	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-70.3	-39.2	173.9	-72.4	170.7	0	0	0	112.3	F429 A459 I462 A463 M466 L473 F493 M494 G495 L500 E501	F429-L497 HydrophobicContact CZ-CD2 4.19Å; A459-L497 HydrophobicContact CB-CD1 4.13Å; A459-L497 WeakPolarHBondContact O-CD2 2.77Å; I462-L497 HydrophobicContact CB-CD1 4.33Å; I462-L497 HydrophobicContact CB-CD2 4.44Å; I462-L497 HydrophobicContact CG2-CD1 4.1Å; I462-L497 HydrophobicContact CG2-CD2 4.2Å; A463-L497 HydrophobicContact CB-CD2 3.63Å; M466-L497 HydrophobicContact CE-CB 4.28Å; M466-L497 HydrophobicContact CE-CD2 3.74Å; L473-L497 HydrophobicContact CD1-CB 3.71Å; L473-L497 HydrophobicContact CD1-CD1 4.17Å; L473-L497 HydrophobicContact CD1-CG 4.43Å; L473-L497 HydrophobicContact CD2-CB 4.13Å; F493-L497 WeakPolarHBondContact O-CB 3.25Å; F493-L497 WeakPolarHBondContact O-CG 3.31Å; F493-L497 PolarHBondContact O-N 2.95Å; M494-L497 PolarHBondContact O-N 2.75Å; M494-L497 HydrophobicContact SD-CD1 4.08Å; G495-L497 VanDerWaalsContact C-N 3.28Å; G495-L497 PolarHBondContact O-N 2.79Å; L497-L500 PolarHBondContact O-N 2.81Å; L497-E501 PolarHBondContact O-N 2.93Å
498	Y	89.2	Confident	86.5	Confident	152 Å²	152	51.3 Å²	51.3	60%	0.596	28%	0.284	S	S	*	.	H	α-helix	trans	-66.7	-39.6	175.3	179.2	-99	0	0	0	111.9	L473 M494 G495 E501 S502	L473-Y498 HydrophobicContact CD2-CD2 4.48Å; M494-Y498 WeakPolarHBondContact O-CB 3.38Å; M494-Y498 PolarHBondContact O-N 3.41Å; G495-Y498 WeakPolarHBondContact O-CB 3.37Å; G495-Y498 PolarHBondContact O-N 3.18Å; G495-Y498 VanDerWaalsContact O-N 3.11Å; Y498-E501 PolarHBondContact O-N 3.14Å; Y498-S502 WeakPolarHBondContact O-CB 3.49Å; Y498-S502 PolarHBondContact O-N 3.38Å
499	E	90.6	Very high	86.9	Confident	102 Å²	102	52.8 Å²	52.8	48%	0.477	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-42	170.7	-66.9	170.2	-175.3	0	0	111.7	R426 G495 S502 D503	R426-E499 IonicContact NH1-OE2 3.58Å; R426-E499 PolarHBondContact NH1-OE2 3.2Å; G495-E499 WeakPolarHBondContact O-CG 3.49Å; G495-E499 PolarHBondContact O-N 3.2Å; E499-S502 WeakPolarHBondContact O-CB 3.4Å; E499-S502 PolarHBondContact O-N 2.97Å; E499-D503 PolarHBondContact O-N 2.82Å
500	L	94.1	Very high	87.1	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-43.8	175	174.5	62.3	0	0	0	111.6	F429 A463 M466 Q496 L497 S502 D503 L504 L509	F429-L500 HydrophobicContact CD2-CD2 3.91Å; F429-L500 HydrophobicContact CE2-CD2 3.67Å; A463-L500 HydrophobicContact CB-CD2 3.72Å; M466-L500 HydrophobicContact CE-CB 4.46Å; M466-L500 HydrophobicContact CE-CD2 3.86Å; M466-L500 HydrophobicContact CE-CG 4.22Å; Q496-L500 WeakPolarHBondContact O-CB 3.5Å; Q496-L500 PolarHBondContact O-N 3.43Å; L497-L500 PolarHBondContact O-N 2.81Å; L500-S502 VanDerWaalsContact C-N 3.31Å; L500-S502 PolarHBondContact O-N 3.47Å; L500-D503 PolarHBondContact O-N 2.96Å; L500-L504 HydrophobicContact CD1-CD1 4.08Å; L500-L504 HydrophobicContact CD1-CG 4Å; L500-L504 HydrophobicContact CG-CD1 4.03Å; L500-L504 HydrophobicContact CG-CG 4.39Å; L500-L504 WeakPolarHBondContact O-CB 3.23Å; L500-L504 VanDerWaalsContact O-CG 3.28Å; L500-L504 WeakPolarHBondContact O-CG 3.16Å; L500-L504 PolarHBondContact O-N 3.25Å; L500-L509 HydrophobicContact CD1-CD1 3.85Å
501	E	94.5	Very high	87.6	Confident	38 Å²	38	58.2 Å²	58.2	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-59.4	-42.8	173.3	177	174.1	-125.8	0	0	111.6	M466 S472 L473 L497 Y498 L504 T505	M466-E501 HydrophobicContact SD-CB 4.09Å; S472-E501 WeakPolarHBondContact CA-OE1 3.5Å; S472-E501 VanDerWaalsContact CB-OE1 3.28Å; S472-E501 WeakPolarHBondContact CB-OE1 3.45Å; L473-E501 HydrophobicContact CB-CB 4.27Å; L473-E501 VanDerWaalsContact CB-CD 3.49Å; L473-E501 HydrophobicContact CB-CG 4.44Å; L473-E501 WeakPolarHBondContact CB-OE2 3.48Å; L473-E501 PolarHBondContact N-OE1 2.81Å; L497-E501 PolarHBondContact O-N 2.93Å; Y498-E501 PolarHBondContact O-N 3.14Å; E501-L504 PolarHBondContact O-N 3.28Å; E501-T505 VanDerWaalsContact O-CB 3.22Å; E501-T505 WeakPolarHBondContact O-CB 3.43Å; E501-T505 PolarHBondContact O-N 2.79Å; E501-T505 PolarHBondContact O-OG1 3.15Å
502	S	92.2	Very high	88.4	Confident	49 Å²	49	59.8 Å²	59.8	34%	0.343	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-44	174.8	-175	0	0	0	0	111.8	Y498 E499 L500 T505 S506 R508	Y498-S502 WeakPolarHBondContact O-CB 3.49Å; Y498-S502 PolarHBondContact O-N 3.38Å; E499-S502 WeakPolarHBondContact O-CB 3.4Å; E499-S502 PolarHBondContact O-N 2.97Å; L500-S502 VanDerWaalsContact C-N 3.31Å; L500-S502 PolarHBondContact O-N 3.47Å; S502-T505 PolarHBondContact O-N 3.07Å; S502-S506 VanDerWaalsContact O-CB 3.26Å; S502-S506 WeakPolarHBondContact O-CB 3.44Å; S502-S506 PolarHBondContact O-N 3.16Å; S502-S506 PolarHBondContact O-OG 2.86Å; S502-R508 PolarHBondContact OG-NH2 3.05Å; S502-R508 VanDerWaalsContact OG-NH2 3.08Å
503	D	93.6	Very high	88.8	Confident	19 Å²	19	60.8 Å²	60.8	10%	0.102	33%	0.331	C	S	.	.	H	α-helix	trans	-64.3	-44	178	-66.2	-34.7	0	0	0	111.7	R426 E499 L500 S506 G507 R508 L509	R426-D503 IonicContact CZ-OD2 2.92Å; R426-D503 VanDerWaalsContact CZ-OD2 3.28Å; R426-D503 IonicContact NH1-OD2 3.51Å; R426-D503 PolarHBondContact NH1-OD2 3.48Å; R426-D503 IonicContact NH2-OD2 2.7Å; R426-D503 PolarHBondContact NH2-OD2 3.27Å; E499-D503 PolarHBondContact O-N 2.82Å; L500-D503 PolarHBondContact O-N 2.96Å; D503-S506 PolarHBondContact O-OG 3.28Å; D503-G507 PolarHBondContact O-N 2.99Å; D503-R508 HydrophobicContact CB-CB 4.34Å; D503-R508 PolarHBondContact O-N 3.45Å; D503-R508 IonicContact OD1-CZ 2.85Å; D503-R508 IonicContact OD1-NE 3.62Å; D503-R508 PolarHBondContact OD1-NE 3.45Å; D503-R508 IonicContact OD1-NH1 2.92Å; D503-R508 PolarHBondContact OD1-NH1 2.77Å; D503-R508 IonicContact OD1-NH2 2.71Å; D503-R508 PolarHBondContact OD1-NH2 3.22Å; D503-L509 HydrophobicContact CB-CB 4.19Å; D503-L509 HydrophobicContact CB-CD1 3.76Å; D503-L509 HydrophobicContact CB-CG 3.91Å; D503-L509 PolarHBondContact O-N 3.4Å
504	L	93.5	Very high	88.9	Confident	14 Å²	14	64.5 Å²	64.5	7%	0.073	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-36.2	177	-71.4	175.8	0	0	0	112.8	M466 L500 E501 L509 R511	M466-L504 HydrophobicContact CB-CD1 3.97Å; L500-L504 HydrophobicContact CD1-CD1 4.08Å; L500-L504 HydrophobicContact CD1-CG 4Å; L500-L504 HydrophobicContact CG-CD1 4.03Å; L500-L504 HydrophobicContact CG-CG 4.39Å; L500-L504 WeakPolarHBondContact O-CB 3.23Å; L500-L504 VanDerWaalsContact O-CG 3.28Å; L500-L504 WeakPolarHBondContact O-CG 3.16Å; L500-L504 PolarHBondContact O-N 3.25Å; E501-L504 PolarHBondContact O-N 3.28Å; L504-L509 WeakPolarHBondContact CA-O 3.34Å; L504-L509 HydrophobicContact CD2-CB 3.94Å; L504-R511 HydrophobicContact CB-CG 4.37Å; L504-R511 HydrophobicContact CD1-CG 4.3Å; L504-R511 HydrophobicContact CD2-CB 4.49Å; L504-R511 HydrophobicContact CD2-CG 3.69Å; L504-R511 HydrophobicContact CG-CG 4.34Å
505	T	90.6	Very high	89.2	Confident	104 Å²	104	65 Å²	65	64%	0.638	35%	0.354	S	S	*	.	H	α-helix	trans	-80.8	-34.1	-178.2	-54.9	0	0	0	0	112.2	E501 S502 G507	E501-T505 VanDerWaalsContact O-CB 3.22Å; E501-T505 WeakPolarHBondContact O-CB 3.43Å; E501-T505 PolarHBondContact O-N 2.79Å; E501-T505 PolarHBondContact O-OG1 3.15Å; S502-T505 PolarHBondContact O-N 3.07Å; T505-G507 VanDerWaalsContact C-N 3.26Å; T505-G507 PolarHBondContact O-N 3.46Å
506	S	91.4	Very high	90	Very high	69 Å²	69	63.6 Å²	63.6	48%	0.483	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.8	174	57.9	0	0	0	0	113.8	S502 D503 R508	S502-S506 VanDerWaalsContact O-CB 3.26Å; S502-S506 WeakPolarHBondContact O-CB 3.44Å; S502-S506 PolarHBondContact O-N 3.16Å; S502-S506 PolarHBondContact O-OG 2.86Å; D503-S506 PolarHBondContact O-OG 3.28Å; S506-R508 PolarHBondContact O-N 3.22Å; S506-R508 PolarHBondContact OG-NE 2.97Å
507	G	88.3	Confident	90.1	Very high	53 Å²	53	63.8 Å²	63.8	55%	0.546	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	7.3	-176.2	0	0	0	0	0	114.5	D503 T505 L509	D503-G507 PolarHBondContact O-N 2.99Å; T505-G507 VanDerWaalsContact C-N 3.26Å; T505-G507 PolarHBondContact O-N 3.46Å; G507-L509 PolarHBondContact O-N 2.72Å
508	R	87.1	Confident	90.1	Very high	161 Å²	161	67.6 Å²	67.6	61%	0.608	37%	0.366	S	S	*	.	S	Bend	trans	-62.9	-30.4	171.6	-73.3	-175.4	-75.3	154.2	0.2	111.7	S502 D503 S506	S502-R508 PolarHBondContact OG-NH2 3.05Å; S502-R508 VanDerWaalsContact OG-NH2 3.08Å; D503-R508 HydrophobicContact CB-CB 4.34Å; D503-R508 PolarHBondContact O-N 3.45Å; D503-R508 IonicContact OD1-CZ 2.85Å; D503-R508 IonicContact OD1-NE 3.62Å; D503-R508 PolarHBondContact OD1-NE 3.45Å; D503-R508 IonicContact OD1-NH1 2.92Å; D503-R508 PolarHBondContact OD1-NH1 2.77Å; D503-R508 IonicContact OD1-NH2 2.71Å; D503-R508 PolarHBondContact OD1-NH2 3.22Å; S506-R508 PolarHBondContact O-N 3.22Å; S506-R508 PolarHBondContact OG-NE 2.97Å
509	L	87.7	Confident	90.1	Very high	73 Å²	73	62.9 Å²	62.9	38%	0.382	35%	0.35	S	S	.	.	S	Bend	trans	-122.2	137.6	164.2	-67.8	175.3	0	0	0	108.7	L500 D503 L504 G507	L500-L509 HydrophobicContact CD1-CD1 3.85Å; D503-L509 HydrophobicContact CB-CB 4.19Å; D503-L509 HydrophobicContact CB-CD1 3.76Å; D503-L509 HydrophobicContact CB-CG 3.91Å; D503-L509 PolarHBondContact O-N 3.4Å; L504-L509 WeakPolarHBondContact CA-O 3.34Å; L504-L509 HydrophobicContact CD2-CB 3.94Å; G507-L509 PolarHBondContact O-N 2.72Å
510	S	86.2	Confident	90.1	Very high	94 Å²	94	59 Å²	59	66%	0.657	33%	0.333	S	S	*	.			trans	-87.5	132.1	170.7	-54	0	0	0	0	110	Q512	S510-Q512 PolarHBondContact O-N 3.11Å
511	R	88.1	Confident	89.3	Confident	63 Å²	63	66 Å²	66	24%	0.238	36%	0.363	C	S	.	.			trans	-58.1	134	166.1	-63.3	-177.4	-173.4	-123.5	0.5	108.2	M466 S469 L471 L504	M466-R511 PolarHBondContact O-NH1 3.48Å; S469-R511 WeakPolarHBondContact O-CD 3.44Å; S469-R511 PolarHBondContact O-NH1 3.33Å; L471-R511 PolarHBondContact O-NH1 3.22Å; L471-R511 PolarHBondContact O-NH2 3.18Å; L504-R511 HydrophobicContact CB-CG 4.37Å; L504-R511 HydrophobicContact CD1-CG 4.3Å; L504-R511 HydrophobicContact CD2-CB 4.49Å; L504-R511 HydrophobicContact CD2-CG 3.69Å; L504-R511 HydrophobicContact CG-CG 4.34Å
512	Q	85.1	Confident	87.7	Confident	130 Å²	130	68 Å²	68	61%	0.607	38%	0.378	S	S	*	.			trans	-68.7	-44.5	-169.4	-73.6	-69.8	-37.2	0	0	111.7	N467 Y468 S510	N467-Q512 WeakPolarHBondContact ND2-CG 3.35Å; N467-Q512 PolarHBondContact O-N 2.94Å; Y468-Q512 HydrophobicContact CD1-CB 4.05Å; Y468-Q512 HydrophobicContact CE1-CB 3.64Å; Y468-Q512 HydrophobicContact CE1-CG 4.3Å; Y468-Q512 HydrophobicContact CE2-CB 4.45Å; Y468-Q512 HydrophobicContact CE2-CG 4.47Å; S510-Q512 PolarHBondContact O-N 3.11Å
513	S	82.2	Confident	85.8	Confident	44 Å²	44	68.9 Å²	68.9	31%	0.308	38%	0.379	S	S	.	.			trans	-172.9	152	170.6	52.6	0	0	0	0	109.9	Y468 I515	Y468-S513 CarbonylContact C-O 3.04Å; Y468-S513 WeakPolarHBondContact CA-O 3.42Å; S513-I515 PolarHBondContact O-N 3.25Å; S513-I515 WeakPolarHBondContact OG-CG1 3.49Å; S513-I515 VanDerWaalsContact OG-CG2 3.3Å; S513-I515 WeakPolarHBondContact OG-CG2 3.44Å
514	N	88.7	Confident	83.5	Confident	80 Å²	80	76.5 Å²	76.5	43%	0.428	41%	0.414	S	S	.	.			trans	-83.5	37.9	177.1	-69.8	11.8	0	0	0	112.5	Y468 L516 D517	Y468-N514 CarbonylContact O-C 3.55Å; N514-L516 PolarHBondContact O-N 3.31Å; N514-D517 HydrophobicContact CB-CB 4.45Å; N514-D517 PolarHBondContact ND2-OD2 3.48Å; N514-D517 WeakPolarHBondContact O-CB 3.44Å; N514-D517 PolarHBondContact O-N 3.2Å
515	I	92	Very high	80.5	Confident	62 Å²	62	80.3 Å²	80.3	32%	0.318	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.2	-174.4	51.7	165	0	0	0	114	E437 Y468 S513 P518	E437-I515 WeakPolarHBondContact OE2-CD1 3.33Å; Y468-I515 HydrophobicContact CD1-CD1 3.7Å; Y468-I515 HydrophobicContact CD1-CG1 3.97Å; Y468-I515 HydrophobicContact CE1-CD1 4.39Å; Y468-I515 PolarHBondContact O-N 2.8Å; S513-I515 PolarHBondContact O-N 3.25Å; S513-I515 WeakPolarHBondContact OG-CG1 3.49Å; S513-I515 VanDerWaalsContact OG-CG2 3.3Å; S513-I515 WeakPolarHBondContact OG-CG2 3.44Å; I515-P518 WeakPolarHBondContact O-CD 3.22Å
516	L	94.1	Very high	77.6	Confident	1 Å²	1	85.6 Å²	85.6	1%	0.005	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-18.7	177.7	-56.6	176.3	0	0	0	112.5	F370 F372 Y464 L465 Y468 N514 P518 L519 L520	F370-L516 HydrophobicContact CD2-CD2 4.3Å; F370-L516 HydrophobicContact CE2-CB 4.39Å; F370-L516 HydrophobicContact CE2-CD1 3.94Å; F370-L516 HydrophobicContact CE2-CD2 3.97Å; F370-L516 HydrophobicContact CE2-CG 4.32Å; F370-L516 HydrophobicContact CZ-CB 4.09Å; F370-L516 HydrophobicContact CZ-CD1 4.39Å; F370-L516 HydrophobicContact CZ-CD2 4.35Å; F372-L516 HydrophobicContact CE1-CD2 4.23Å; F372-L516 HydrophobicContact CZ-CD2 3.88Å; Y464-L516 HydrophobicContact CD1-CD1 4.35Å; Y464-L516 HydrophobicContact CE1-CD1 3.78Å; Y464-L516 HydrophobicContact CE1-CD2 4.46Å; L465-L516 HydrophobicContact CD1-CD1 4.3Å; L465-L516 HydrophobicContact CG-CD1 4.48Å; Y468-L516 WeakPolarHBondContact O-CB 3.46Å; Y468-L516 VanDerWaalsContact O-CG 3.32Å; Y468-L516 WeakPolarHBondContact O-CG 3.41Å; Y468-L516 PolarHBondContact O-N 2.71Å; Y468-L516 VanDerWaalsContact O-N 3.09Å; N514-L516 PolarHBondContact O-N 3.31Å; L516-P518 VanDerWaalsContact C-CD 3.44Å; L516-P518 VanDerWaalsContact C-N 3.34Å; L516-L519 HydrophobicContact CD2-CD1 4.22Å; L516-L519 CarbonylContact O-C 3.45Å; L516-L519 WeakPolarHBondContact O-CA 3.21Å; L516-L519 WeakPolarHBondContact O-CB 3.45Å; L516-L519 PolarHBondContact O-N 3.39Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.29Å
517	D	92.3	Very high	76.9	Confident	27 Å²	27	86.4 Å²	86.4	14%	0.144	46%	0.464	C	S	.	.	H	α-helix	trans	-53.9	-38.8	-178.1	-72.3	14.9	0	0	0	114	S469 S470 N514 L520 K521	S469-D517 WeakPolarHBondContact CA-OD1 3.31Å; S469-D517 VanDerWaalsContact CB-OD1 3.24Å; S469-D517 WeakPolarHBondContact CB-OD1 3.22Å; S470-D517 WeakPolarHBondContact CB-OD2 3.46Å; S470-D517 PolarHBondContact N-OD1 2.69Å; S470-D517 VanDerWaalsContact OG-CG 3.23Å; S470-D517 PolarHBondContact OG-OD1 3.22Å; S470-D517 PolarHBondContact OG-OD2 3.13Å; N514-D517 HydrophobicContact CB-CB 4.45Å; N514-D517 PolarHBondContact ND2-OD2 3.48Å; N514-D517 WeakPolarHBondContact O-CB 3.44Å; N514-D517 PolarHBondContact O-N 3.2Å; D517-L520 PolarHBondContact O-N 3.31Å; D517-K521 WeakPolarHBondContact O-CG 3.48Å; D517-K521 PolarHBondContact O-N 3.38Å
518	P	91.1	Very high	76.3	Confident	81 Å²	81	88.2 Å²	88.2	53%	0.526	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-38.9	172.4	-22.5	34.9	0	0	0	113.2	I515 L516 K521 T522	I515-P518 WeakPolarHBondContact O-CD 3.22Å; L516-P518 VanDerWaalsContact C-CD 3.44Å; L516-P518 VanDerWaalsContact C-N 3.34Å; P518-K521 PolarHBondContact O-N 3Å; P518-T522 PolarHBondContact O-N 2.92Å; P518-T522 PolarHBondContact O-OG1 3.31Å
519	L	89.7	Confident	75.7	Confident	52 Å²	52	84.1 Å²	84.1	27%	0.272	45%	0.451	S	S	.	.	H	α-helix	trans	-74	-28	-179.8	-59.7	177.5	0	0	0	112.3	F370 F372 L516 T522 N523	F370-L519 HydrophobicContact CD1-CB 3.61Å; F370-L519 HydrophobicContact CD1-CD1 4.07Å; F370-L519 HydrophobicContact CD1-CG 4.48Å; F370-L519 HydrophobicContact CE1-CB 3.5Å; F370-L519 HydrophobicContact CE1-CD1 4.47Å; F370-L519 HydrophobicContact CG-CD1 4.35Å; F370-L519 HydrophobicContact CZ-CB 4.45Å; F372-L519 HydrophobicContact CD1-CD1 4.41Å; F372-L519 HydrophobicContact CE1-CD1 3.74Å; L516-L519 HydrophobicContact CD2-CD1 4.22Å; L516-L519 CarbonylContact O-C 3.45Å; L516-L519 WeakPolarHBondContact O-CA 3.21Å; L516-L519 WeakPolarHBondContact O-CB 3.45Å; L516-L519 PolarHBondContact O-N 3.39Å; L519-T522 WeakPolarHBondContact CA-OG1 3.49Å; L519-T522 PolarHBondContact O-OG1 3.45Å; L519-N523 PolarHBondContact O-ND2 3.17Å
520	L	89.2	Confident	75	Confident	21 Å²	21	84.8 Å²	84.8	11%	0.11	46%	0.455	C	S	.	.	H	α-helix	trans	-64.6	-50.3	171.1	-65.9	174	0	0	0	110	F370 L471 Y479 L516 D517 T522 N523	F370-L520 HydrophobicContact CE1-CD2 3.99Å; F370-L520 HydrophobicContact CE1-CG 4.43Å; F370-L520 HydrophobicContact CZ-CD2 3.68Å; F370-L520 HydrophobicContact CZ-CG 4.22Å; L471-L520 HydrophobicContact CD1-CD1 3.7Å; L471-L520 HydrophobicContact CD1-CD2 3.94Å; L471-L520 HydrophobicContact CD2-CD1 3.91Å; L471-L520 HydrophobicContact CG-CD1 3.62Å; Y479-L520 HydrophobicContact CD1-CD2 4.3Å; Y479-L520 HydrophobicContact CD2-CD2 3.6Å; Y479-L520 HydrophobicContact CE1-CD2 4.02Å; Y479-L520 HydrophobicContact CE2-CD2 3.26Å; Y479-L520 HydrophobicContact CG-CD2 4.11Å; Y479-L520 VanDerWaalsContact CZ-CD2 3.5Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.29Å; D517-L520 PolarHBondContact O-N 3.31Å; L520-T522 PolarHBondContact O-N 2.77Å; L520-N523 PolarHBondContact O-N 2.9Å
521	K	77.2	Confident	74.3	Confident	150 Å²	150	84.2 Å²	84.2	65%	0.652	44%	0.443	S	S	*	.	H	α-helix	trans	-61.1	-37.9	-178.7	-69.5	172.9	-175.9	178.9	0	114	D517 P518 N523 E524	D517-K521 WeakPolarHBondContact O-CG 3.48Å; D517-K521 PolarHBondContact O-N 3.38Å; P518-K521 PolarHBondContact O-N 3Å; K521-N523 PolarHBondContact O-N 3.05Å; K521-N523 VanDerWaalsContact O-N 3.12Å; K521-E524 PolarHBondContact O-N 3.27Å
522	T	62.2	Low	73.4	Confident	82 Å²	82	85.6 Å²	85.6	50%	0.503	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.9	-179.7	46.1	0	0	0	0	114.8	P518 L519 L520	P518-T522 PolarHBondContact O-N 2.92Å; P518-T522 PolarHBondContact O-OG1 3.31Å; L519-T522 WeakPolarHBondContact CA-OG1 3.49Å; L519-T522 PolarHBondContact O-OG1 3.45Å; L520-T522 PolarHBondContact O-N 2.77Å
523	N	52.7	Low	72.6	Confident	66 Å²	66	82.4 Å²	82.4	35%	0.353	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	1	-177.8	-72	-68.4	0	0	0	114.4	Y479 R483 L519 L520 K521	Y479-N523 PolarHBondContact OH-ND2 3.31Å; R483-N523 VanDerWaalsContact NH2-CB 3.29Å; L519-N523 PolarHBondContact O-ND2 3.17Å; L520-N523 PolarHBondContact O-N 2.9Å; K521-N523 PolarHBondContact O-N 3.05Å; K521-N523 VanDerWaalsContact O-N 3.12Å
524	E	43.6	Very low	71.8	Confident	179 Å²	179	85.4 Å²	85.4	84%	0.836	46%	0.456	S	S	*	.	S	Bend	trans	-94.7	-0.6	174.2	-63.3	-170	151.7	0	0	113	K521	K521-E524 PolarHBondContact O-N 3.27Å
525	S	32.1	Very low	70.4	Confident	94 Å²	94	85.8 Å²	85.8	66%	0.657	46%	0.459	S	S	*	.			trans	-113.7	23.2	-175	63.7	0	0	0	0	114.4
526	L	28.9	Very low	68.5	Low	215 Å²	215	88 Å²	88	100%	1.126	47%	0.471	S	S	*	.			trans	-135.6	0	175.5	-78.7	169.7	0	0	0	109.8

Retrieved 526 of 526 residues in 909.7 ms (Link to these results)

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