A0A3Q0KLT2_SCHMA Loading...

TGc domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KLT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 976 aa.

						>A0A3Q0KLT2_SCHMA|A0A3Q0KLT2
MSQLSILTESEFNRIQNSVENVNEDSNNDLDLGGNNDEINLSDRIQQEENDAFIETNSLDGFHRSREFQELNPLYLPDNYDKLPESFDISTFPLSHKQNNLKESHLLKYCENFCRQYAHLCPDRAKLFLIPTNECDIQKFVCTTLSKTYLNYPELYLWHEAAKFVADFLNFVPLVPSTELPKRLLSPMTTVNLQKGTCFEYATLLCSLLIAAGYDAYIVSGYATRECCYMDETREICPYLIGDEIKETNDDVKSEELEPKRYTIKPEKDLTSKYEHAMTMKDLQFEAERVKQAKKEAELAEEERYKPTVDPLFGLRIHAWILVLPGKREVPEAFFIETLTGLAKPLDCPMYLGIESLWNDHNYWVNMQDCSTGISHLNYNLSDGLCWEYLLPNDRLSVEGTGFSSIQRPDMFNVQSTMNSKTPIISQLASPLLIVPNSLKSKDNNYNSSFNLNDNDAHGLTDSVHQVRGNLHVKLLGNSQNKPLLLDLPPSWTLPIQIEQKLFKLRYPNGFKKRLYKYSIVENFAPYSQSDGLILRLTIFQDHELTNPTEVSETYANRKDKLISRSTVLRTNWIVEKFDHGRQTSHLAEHGYYKTQQGVHTIRYMIFDHDARIDGLYKREQTFNTMIEHFKDRHDHLYYREVHFSAKIKKFGPAPTQNKDNPDAFALSTTSQSNIDKIVERFTRNEEIEADEDIAEKIFNVAEERISLTYHVGKERIVPCTREFIKPSPSDDRRDSIQLYPDTHVAFQVNLLSKPKSQTEIYNMLIDLLKEENDSIETVYKSIHEIYSILNERTIEDLHVILDMDPFDTLHNIGANQLRIELEKLAENEQNSNSNNHNNDIEYDYLEPYLIQFNNDNNGNNKLTFEQASIVYNDCLNELKQQLINKANIIQLNYEKLIENLLNKQKWYQLNQINLNKQNEHDYLIDCNELLFKIQTLESLLLDHKLKAKEKYKELEKKLKADPRLSELSSSSFKMN
					

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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	28.6	Very low	37.9	Very low	257 Å²	257	141.1 Å²	141.1	100%	1.266	76%	0.761	S	S	*	*				0	111.1	0	-73.7	-159.8	-117.7	0	0	107.3
2	S	25.7	Very low	38.4	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	73%	0.732	S	S	*	*			trans	-102.6	131.8	-173.5	59.1	0	0	0	0	110.6
3	Q	30.1	Very low	38.6	Very low	189 Å²	189	134.2 Å²	134.2	88%	0.883	72%	0.716	S	S	*	*			trans	151.4	98.8	147	-86.8	178.8	14.8	0	0	108.5
4	L	34	Very low	39	Very low	176 Å²	176	139.5 Å²	139.5	92%	0.921	72%	0.721	S	S	*	*			trans	-144.6	105.8	153.7	-105.3	148.9	0	0	0	106.7
5	S	40.1	Very low	39.3	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	71%	0.71	S	S	*	*			trans	-69.2	136.5	-175.8	45.5	0	0	0	0	111.7	L7	S5-L7 PolarHBondContact O-N 3.46Å
6	I	41.2	Very low	39.5	Very low	164 Å²	164	135.3 Å²	135.3	84%	0.841	70%	0.696	S	S	*	*			trans	-66.6	112.2	170.5	-61.9	165.8	0	0	0	108.2
7	L	36.4	Very low	39.5	Very low	122 Å²	122	133.5 Å²	133.5	64%	0.639	69%	0.688	S	S	*	*			trans	-72.8	136.8	167.4	-73	163.5	0	0	0	108.8	S5 E11	S5-L7 PolarHBondContact O-N 3.46Å; L7-E11 WeakPolarHBondContact CD2-OE2 3.4Å
8	T	47.6	Very low	39.5	Very low	81 Å²	81	130.1 Å²	130.1	50%	0.497	68%	0.678	S	S	.	*			trans	-84.5	150.8	179.8	61.4	0	0	0	0	111.1	S10 E11	T8-S10 PolarHBondContact O-N 3.17Å; T8-S10 PolarHBondContact OG1-OG 3.03Å; T8-E11 PolarHBondContact O-N 3.24Å
9	E	40	Very low	39.7	Very low	174 Å²	174	129.3 Å²	129.3	81%	0.813	68%	0.679	S	S	*	*	H	α-helix	trans	-48.9	-22.8	177.7	-84.8	177.3	139.3	0	0	114.9	N13	E9-N13 PolarHBondContact O-ND2 3Å
10	S	46.6	Very low	39.7	Very low	82 Å²	82	130.9 Å²	130.9	57%	0.573	68%	0.682	S	S	*	*	H	α-helix	trans	-71.5	-27.2	177.5	74.7	0	0	0	0	113.8	T8	T8-S10 PolarHBondContact O-N 3.17Å; T8-S10 PolarHBondContact OG1-OG 3.03Å
11	E	47.1	Very low	39.4	Very low	92 Å²	92	131.2 Å²	131.2	43%	0.43	69%	0.685	S	S	.	*	H	α-helix	trans	-84.2	-29.8	179.8	-71	176.3	137.7	0	0	111.8	L7 T8 N13 R14 I15	L7-E11 WeakPolarHBondContact CD2-OE2 3.4Å; T8-E11 PolarHBondContact O-N 3.24Å; E11-N13 PolarHBondContact O-N 3.02Å; E11-R14 PolarHBondContact O-N 2.98Å; E11-I15 PolarHBondContact O-N 3.22Å
12	F	43.1	Very low	39.8	Very low	96 Å²	96	124.6 Å²	124.6	42%	0.421	66%	0.658	S	S	.	*	H	α-helix	trans	-63.3	-41.6	175.6	-142.6	-91.9	0	0	0	112	R14 I15 Q16 L798	F12-R14 VanDerWaalsContact C-N 3.26Å; F12-R14 PolarHBondContact O-N 3.09Å; F12-I15 PolarHBondContact O-N 3.44Å; F12-Q16 PolarHBondContact O-N 2.92Å; F12-L798 HydrophobicContact CZ-CD1 4.17Å
13	N	41.5	Very low	40.2	Very low	97 Å²	97	126.9 Å²	126.9	52%	0.519	66%	0.662	S	S	.	*	H	α-helix	trans	-68.4	-20.3	176.7	-77.4	-52.1	0	0	0	113.9	E9 E11 N17	E9-N13 PolarHBondContact O-ND2 3Å; E11-N13 PolarHBondContact O-N 3.02Å; N13-N17 PolarHBondContact O-ND2 3.23Å
14	R	44.2	Very low	40.3	Very low	208 Å²	208	126.8 Å²	126.8	79%	0.785	66%	0.662	S	S	*	*	H	α-helix	trans	-80	-31.9	174.2	-89	-176.3	176.3	174.1	0.3	112.6	E11 F12 S18	E11-R14 PolarHBondContact O-N 2.98Å; F12-R14 VanDerWaalsContact C-N 3.26Å; F12-R14 PolarHBondContact O-N 3.09Å; R14-S18 PolarHBondContact O-N 2.97Å
15	I	43.9	Very low	40.3	Very low	109 Å²	109	126 Å²	126	56%	0.559	66%	0.658	S	S	*	*	H	α-helix	trans	-77	-39.2	-178.7	-63	172.8	0	0	0	110.4	E11 F12 N17 S18	E11-I15 PolarHBondContact O-N 3.22Å; F12-I15 PolarHBondContact O-N 3.44Å; I15-N17 PolarHBondContact O-N 3.13Å; I15-S18 PolarHBondContact O-N 2.92Å; I15-S18 VanDerWaalsContact O-N 3.16Å; I15-S18 PolarHBondContact O-OG 3.01Å
16	Q	42	Very low	40.1	Very low	103 Å²	103	126.8 Å²	126.8	48%	0.481	66%	0.664	S	S	.	*	H	α-helix	trans	-61.4	-39.8	174.2	-92.1	178.7	-59.4	0	0	113.4	F12 S18 V19	F12-Q16 PolarHBondContact O-N 2.92Å; Q16-S18 PolarHBondContact O-N 3.44Å; Q16-V19 PolarHBondContact O-N 3.31Å
17	N	39.7	Very low	39.8	Very low	105 Å²	105	126.6 Å²	126.6	56%	0.561	67%	0.665	S	S	*	*	H	α-helix	trans	-73.1	-11.9	177.9	-76.7	-58.4	0	0	0	114.3	N13 I15 N21	N13-N17 PolarHBondContact O-ND2 3.23Å; I15-N17 PolarHBondContact O-N 3.13Å; N17-N21 PolarHBondContact O-ND2 3.27Å
18	S	40.1	Very low	39.9	Very low	72 Å²	72	128.3 Å²	128.3	50%	0.503	68%	0.675	S	S	.	*	H	α-helix	trans	-91.2	-15.2	178.5	67	0	0	0	0	114.1	R14 I15 Q16	R14-S18 PolarHBondContact O-N 2.97Å; I15-S18 PolarHBondContact O-N 2.92Å; I15-S18 VanDerWaalsContact O-N 3.16Å; I15-S18 PolarHBondContact O-OG 3.01Å; Q16-S18 PolarHBondContact O-N 3.44Å
19	V	42.2	Very low	39.4	Very low	115 Å²	115	131.6 Å²	131.6	70%	0.697	69%	0.689	S	S	*	*	H	α-helix	trans	-93.6	-16.2	179.3	-179.4	0	0	0	0	112.1	Q16	Q16-V19 PolarHBondContact O-N 3.31Å
20	E	40.1	Very low	39.3	Very low	161 Å²	161	132 Å²	132	75%	0.752	70%	0.696	S	S	*	*	S	Bend	trans	-91.7	3.2	178.8	-70.9	-176.5	160.9	0	0	115
21	N	33.6	Very low	38.9	Very low	138 Å²	138	134.8 Å²	134.8	74%	0.738	70%	0.704	S	S	*	*	S	Bend	trans	-118.6	26.2	-177.6	-79.8	-53.4	0	0	0	114.9	N17	N17-N21 PolarHBondContact O-ND2 3.27Å
22	V	35.7	Very low	38.6	Very low	117 Å²	117	138.8 Å²	138.8	71%	0.709	73%	0.728	S	S	*	*			trans	-120.6	72.9	172.8	-171	0	0	0	0	108.9
23	N	34.2	Very low	38.2	Very low	159 Å²	159	137.6 Å²	137.6	85%	0.85	74%	0.742	S	S	*	*	S	Bend	trans	-178	71.6	159.5	-89.7	-24.4	0	0	0	109.1
24	E	32.7	Very low	37.7	Very low	188 Å²	188	136.2 Å²	136.2	88%	0.879	75%	0.751	S	S	*	*			trans	-171.9	141.6	155.9	-106.4	165.2	-157.7	0	0	108.1
25	D	34.9	Very low	37.4	Very low	158 Å²	158	133.2 Å²	133.2	85%	0.845	75%	0.751	S	S	*	*			trans	99.6	90.7	175.7	-60.5	-21	0	0	0	118.6
26	S	35.8	Very low	37	Very low	122 Å²	122	134.2 Å²	134.2	85%	0.853	76%	0.757	S	S	*	*				-174.9	85.5	119.4	34.6	0	0	0	0	111.5
27	N	35.2	Very low	36.8	Very low	159 Å²	159	136.6 Å²	136.6	85%	0.85	77%	0.773	S	S	*	*			trans	-79.5	126.8	148.7	-82.1	-38.9	0	0	0	107.7
28	N	37.2	Very low	36.6	Very low	159 Å²	159	140.4 Å²	140.4	85%	0.85	79%	0.788	S	S	*	*			trans	-165.2	101.4	152.2	-95.2	-24.6	0	0	0	110
29	D	38.3	Very low	36.4	Very low	149 Å²	149	144.2 Å²	144.2	80%	0.797	80%	0.801	S	S	*	*			trans	15.2	121.9	138.3	-62.5	-25	0	0	0	118.9
30	L	38.4	Very low	36.1	Very low	183 Å²	183	145 Å²	145	96%	0.958	80%	0.801	S	S	*	*			trans	-144.9	102.2	135.7	-93.9	171.9	0	0	0	109.6
31	D	37.8	Very low	35.8	Very low	140 Å²	140	143.8 Å²	143.8	75%	0.749	80%	0.799	S	S	*	*			trans	-67.7	133.5	168.6	175.2	22	0	0	0	111.4
32	L	40.5	Very low	35.6	Very low	177 Å²	177	141.2 Å²	141.2	93%	0.927	79%	0.792	S	S	*	*			trans	-160	97.2	149.1	-89.2	-174.3	0	0	0	110.7
33	G	34.4	Very low	35.6	Very low	70 Å²	70	142.8 Å²	142.8	72%	0.722	80%	0.796	S	S	*	*				84.1	103.2	124	0	0	0	0	0	119.1
34	G	31.9	Very low	35.8	Very low	69 Å²	69	147.2 Å²	147.2	71%	0.711	80%	0.801	S	S	*	*			trans	-81.8	161.6	162.5	0	0	0	0	0	114.1
35	N	36.6	Very low	35.8	Very low	145 Å²	145	145.9 Å²	145.9	78%	0.775	80%	0.798	S	S	*	*				173.2	125.3	128.5	-91.6	-27.6	0	0	0	110.5
36	N	34.8	Very low	35.8	Very low	129 Å²	129	146 Å²	146	69%	0.69	79%	0.794	S	S	*	*			trans	38	123.9	132.6	-46.5	-25.5	0	0	0	119.2
37	D	39.2	Very low	35.7	Very low	154 Å²	154	147.9 Å²	147.9	82%	0.824	79%	0.789	S	S	*	*				-179.3	119.8	103.5	-82.9	-22.8	0	0	0	110.5
38	E	34.3	Very low	35.8	Very low	184 Å²	184	149.9 Å²	149.9	86%	0.86	79%	0.793	S	S	*	*			trans	-61	147.5	154.3	-66.2	177.8	143.4	0	0	109
39	I	37.5	Very low	35.6	Very low	152 Å²	152	150.5 Å²	150.5	78%	0.779	79%	0.791	S	S	*	*			trans	178.7	112.8	143	-90.6	150.9	0	0	0	110.3
40	N	34.9	Very low	35.6	Very low	133 Å²	133	150.4 Å²	150.4	71%	0.711	79%	0.791	S	S	*	*			trans	68.5	126.6	130.7	-72	-20.5	0	0	0	125.3
41	L	33.2	Very low	35.5	Very low	135 Å²	135	148.6 Å²	148.6	71%	0.707	78%	0.782	S	S	*	*				73.9	111.2	124.3	-86.7	83.5	0	0	0	120.2
42	S	30.2	Very low	35.5	Very low	84 Å²	84	145.9 Å²	145.9	59%	0.587	78%	0.779	S	S	*	*				18.2	116.7	117.3	58.5	0	0	0	0	117.8
43	D	36.3	Very low	35.1	Very low	149 Å²	149	146.8 Å²	146.8	80%	0.797	78%	0.776	S	S	*	*				161.4	120.9	123.7	-83.9	-21.1	0	0	0	109.7
44	R	38.1	Very low	35.3	Very low	253 Å²	253	149.9 Å²	149.9	96%	0.955	77%	0.774	S	S	*	*			trans	177.3	85.7	137.8	-96.5	163.1	-174.2	-152.6	1.5	111.4
45	I	33.3	Very low	35.3	Very low	160 Å²	160	154.4 Å²	154.4	82%	0.821	78%	0.777	S	S	*	*			trans	-100.5	128.2	143.6	-66.1	172.2	0	0	0	105.2
46	Q	35	Very low	35	Very low	159 Å²	159	153.1 Å²	153.1	74%	0.743	77%	0.774	S	S	*	*			trans	171.6	131.9	134	-95.2	172.9	28.4	0	0	113
47	Q	33.6	Very low	34.9	Very low	162 Å²	162	154.5 Å²	154.5	76%	0.757	78%	0.782	S	S	*	*			trans	80.3	105.5	142.5	-69.8	172.7	-11.4	0	0	119.7
48	E	36.4	Very low	34.7	Very low	201 Å²	201	152.3 Å²	152.3	94%	0.939	78%	0.779	S	S	*	*				-146.1	93.8	125.9	-104.1	173.1	-167.4	0	0	108.4
49	E	33.4	Very low	34.4	Very low	173 Å²	173	151.7 Å²	151.7	81%	0.808	78%	0.78	S	S	*	*			trans	-86.6	134.5	153.8	-80.4	179.2	144.2	0	0	106.9
50	N	37.1	Very low	34.2	Very low	147 Å²	147	152.5 Å²	152.5	79%	0.786	79%	0.786	S	S	*	*			trans	-177	126.3	138.1	-86.7	-25.9	0	0	0	111.7
51	D	37.4	Very low	34.1	Very low	144 Å²	144	149 Å²	149	77%	0.77	78%	0.781	S	S	*	*			trans	82	101.9	138.4	-60.1	-22.3	0	0	0	122.6
52	A	38	Very low	34	Very low	83 Å²	83	150.7 Å²	150.7	69%	0.686	78%	0.783	S	S	*	*				107.4	105.8	108.5	0	0	0	0	0	120.1
53	F	31.4	Very low	34	Very low	197 Å²	197	155.2 Å²	155.2	86%	0.864	80%	0.795	S	S	*	*				63.9	109.3	121.8	-91.4	-90.6	0	0	0	120.2
54	I	38.1	Very low	33.8	Very low	134 Å²	134	159.5 Å²	159.5	69%	0.687	80%	0.8	S	S	*	*				155.3	128	107.6	-83.6	157.9	0	0	0	115
55	E	33.7	Very low	33.8	Very low	165 Å²	165	152.5 Å²	152.5	77%	0.771	79%	0.789	S	S	*	*			trans	64	98.7	152.2	-72.9	162.1	-169.2	0	0	120.5
56	T	30.2	Very low	33.7	Very low	117 Å²	117	155.1 Å²	155.1	72%	0.718	79%	0.789	S	S	*	*				51.5	100.6	86.7	66.3	0	0	0	0	115.7
57	N	30.7	Very low	33.7	Very low	158 Å²	158	155.5 Å²	155.5	85%	0.845	79%	0.791	S	S	*	*				179.4	139.1	126.3	-89	-28.8	0	0	0	112
58	S	35.2	Very low	33.9	Very low	109 Å²	109	156.1 Å²	156.1	76%	0.762	79%	0.791	S	S	*	*			trans	88.7	68.1	174.5	74.7	0	0	0	0	118.5	D60	S58-D60 PolarHBondContact O-N 3.06Å
59	L	29.7	Very low	33.9	Very low	170 Å²	170	155 Å²	155	89%	0.89	79%	0.786	S	S	*	*			trans	-63.8	114.2	145.5	-95.3	75.7	0	0	0	108.6
60	D	31.9	Very low	34.2	Very low	169 Å²	169	151.1 Å²	151.1	90%	0.904	77%	0.768	S	S	*	*	S	Bend	trans	164.8	-5.5	141.8	-93.9	-7.1	0	0	0	114.6	S58	S58-D60 PolarHBondContact O-N 3.06Å
61	G	33.1	Very low	34.1	Very low	59 Å²	59	151.8 Å²	151.8	61%	0.608	77%	0.771	S	S	*	*	S	Bend	trans	-106.2	-15.5	-177	0	0	0	0	0	116.9
62	F	30.9	Very low	34.5	Very low	171 Å²	171	150.3 Å²	150.3	75%	0.75	76%	0.763	S	S	*	*	S	Bend	trans	-100.1	4.2	-159.9	-103.2	-90	0	0	0	116.1
63	H	31.4	Very low	35.2	Very low	179 Å²	179	147.2 Å²	147.2	83%	0.829	74%	0.736	S	S	*	*	S	Bend	trans	-101	-6.6	-175.7	-88.2	-67.4	0	0	0	116.3
64	R	30.5	Very low	36.1	Very low	240 Å²	240	145 Å²	145	91%	0.906	73%	0.732	S	S	*	*	S	Bend	trans	-99.1	-11.5	176.7	-84.7	-172.3	-173.9	-175.9	2.4	115.5
65	S	39.2	Very low	37.3	Very low	105 Å²	105	142.2 Å²	142.2	73%	0.734	71%	0.713	S	S	*	*	S	Bend	trans	-101.1	7.5	-169.6	-38.9	0	0	0	0	114.2
66	R	31.6	Very low	38.8	Very low	216 Å²	216	135.1 Å²	135.1	82%	0.815	68%	0.681	S	S	*	*	S	Bend	trans	-122.5	9	-171.9	-106.2	-178	179.6	-176.1	-0.4	115.7
67	E	35	Very low	40.3	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	67%	0.672	S	S	*	*	S	Bend	trans	-110.5	5.8	-178.7	-80	-177.1	163.7	0	0	115.8
68	F	37.2	Very low	41.7	Very low	175 Å²	175	133.3 Å²	133.3	77%	0.768	67%	0.671	S	S	*	*			trans	-129.6	61	166.7	-70	-83.8	0	0	0	110.2	E70	F68-E70 PolarHBondContact O-N 3.37Å
69	Q	36.6	Very low	43.3	Very low	177 Å²	177	135.5 Å²	135.5	83%	0.827	67%	0.674	S	S	*	*			trans	-66.8	113.9	151.1	-111.7	172.5	-15.6	0	0	105	L71	Q69-L71 PolarHBondContact O-N 3.43Å
70	E	38.7	Very low	45.5	Very low	93 Å²	93	130.3 Å²	130.3	44%	0.435	64%	0.643	S	S	.	*			trans	-55.4	86.2	172	-77.6	-173.3	135	0	0	109	F68 N72 P176	F68-E70 PolarHBondContact O-N 3.37Å; E70-N72 VanDerWaalsContact C-N 3.28Å; E70-N72 PolarHBondContact O-N 3.01Å; E70-P176 WeakPolarHBondContact OE1-CA 3.18Å; E70-P176 WeakPolarHBondContact OE1-CB 3.37Å; E70-P176 WeakPolarHBondContact OE2-CG 3.49Å
71	L	36.3	Very low	48	Very low	160 Å²	160	126 Å²	126	84%	0.838	62%	0.62	S	S	*	*			trans	-53.2	107.1	146.1	-73.2	161	0	0	0	103.4	Q69	Q69-L71 PolarHBondContact O-N 3.43Å
72	N	46.2	Very low	50.6	Low	113 Å²	113	129.8 Å²	129.8	60%	0.604	62%	0.62	S	S	*	*			trans	-1.7	108.9	166.3	-155.1	19.2	0	0	0	111	E70 L74	E70-N72 VanDerWaalsContact C-N 3.28Å; E70-N72 PolarHBondContact O-N 3.01Å; N72-L74 PolarHBondContact O-N 3.4Å
73	P	51.6	Low	53.5	Low	18 Å²	18	123.6 Å²	123.6	12%	0.117	60%	0.595	C	S	.	*			trans	-48.1	116.6	-171.8	-26.6	32.2	0	0	0	107.6	Y75 L76	P73-Y75 PolarHBondContact O-N 3.32Å; P73-L76 HydrophobicContact CB-CB 4.38Å; P73-L76 HydrophobicContact CB-CD1 3.97Å; P73-L76 HydrophobicContact CB-CG 4.06Å; P73-L76 HydrophobicContact CG-CD1 3.52Å; P73-L76 HydrophobicContact CG-CG 4.17Å; P73-L76 PolarHBondContact O-N 2.87Å
74	L	51.3	Low	56.4	Low	152 Å²	152	117.6 Å²	117.6	80%	0.796	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-0.3	-175.7	-81.6	152.5	0	0	0	114.3	N72	N72-L74 PolarHBondContact O-N 3.4Å
75	Y	62.6	Low	59.1	Low	74 Å²	74	114.3 Å²	114.3	29%	0.29	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-130.7	-3.6	-169.9	-51.6	-68	0	0	0	113.6	P73 T308 P311	P73-Y75 PolarHBondContact O-N 3.32Å; Y75-T308 WeakPolarHBondContact CE1-OG1 3.37Å; Y75-T308 PolarHBondContact OH-OG1 3.46Å; Y75-P311 HydrophobicContact CE2-CG 4.15Å
76	L	65.8	Low	61.5	Low	16 Å²	16	114 Å²	114	8%	0.084	56%	0.564	C	S	.	*	S	Bend	trans	-75.9	136.9	169	-88.4	169.9	0	0	0	108.8	P73 Y80 P173 V175 Y229	P73-L76 HydrophobicContact CB-CB 4.38Å; P73-L76 HydrophobicContact CB-CD1 3.97Å; P73-L76 HydrophobicContact CB-CG 4.06Å; P73-L76 HydrophobicContact CG-CD1 3.52Å; P73-L76 HydrophobicContact CG-CG 4.17Å; P73-L76 PolarHBondContact O-N 2.87Å; L76-Y80 HydrophobicContact CD1-CE1 4.25Å; L76-P173 HydrophobicContact CD2-CB 3.71Å; L76-P173 HydrophobicContact CD2-CG 3.64Å; L76-V175 HydrophobicContact CD1-CG2 3.89Å; L76-Y229 HydrophobicContact CD2-CD1 4.2Å; L76-Y229 HydrophobicContact CD2-CE1 3.7Å; L76-Y229 HydrophobicContact CG-CE1 4.24Å
77	P	61.7	Low	64.4	Low	81 Å²	81	105.5 Å²	105.5	53%	0.526	53%	0.533	S	S	.	.			trans	-54.8	143	171.5	-22.8	32.5	0	0	0	111	N79	P77-N79 PolarHBondContact O-N 3.45Å
78	D	59.9	Low	67.1	Low	157 Å²	157	102.3 Å²	102.3	84%	0.84	52%	0.521	S	S	*	.	S	Bend	trans	-54.2	-30.8	-179.3	-69.7	-34.3	0	0	0	112.9
79	N	67.2	Low	69.6	Low	155 Å²	155	98.5 Å²	98.5	83%	0.829	51%	0.508	S	S	*	.	S	Bend	trans	-120.9	108.6	175.6	-63.6	-46.5	0	0	0	109.7	P77	P77-N79 PolarHBondContact O-N 3.45Å
80	Y	76.8	Confident	72.1	Confident	61 Å²	61	94.1 Å²	94.1	24%	0.239	50%	0.497	C	S	.	.			trans	-126.6	146.4	170.9	65.8	-88.1	0	0	0	110.8	L76 K82 P173 V175	L76-Y80 HydrophobicContact CD1-CE1 4.25Å; Y80-K82 HydrophobicContact CD2-CG 4.23Å; Y80-K82 HydrophobicContact CE2-CD 4.28Å; Y80-K82 VanDerWaalsContact CE2-CE 3.45Å; Y80-K82 HydrophobicContact CE2-CG 3.8Å; Y80-K82 VanDerWaalsContact OH-CE 3.29Å; Y80-K82 WeakPolarHBondContact OH-CE 3.39Å; Y80-P173 HydrophobicContact CD2-CG 3.73Å; Y80-P173 HydrophobicContact CE2-CG 4.49Å; Y80-P173 HydrophobicContact CG-CG 4.04Å; Y80-V175 HydrophobicContact CE2-CG2 3.75Å
81	D	84.1	Confident	74.6	Confident	77 Å²	77	94.3 Å²	94.3	41%	0.412	51%	0.505	S	S	.	.			trans	-73.9	152	175.5	-87.6	0.9	0	0	0	110.9	V172 K195	D81-V172 HydrophobicContact CB-CG2 4.18Å; D81-V172 WeakPolarHBondContact O-CG1 3.48Å; D81-K195 IonicContact OD2-NZ 2.74Å; D81-K195 PolarHBondContact OD2-NZ 3.47Å
82	K	87.8	Confident	77.3	Confident	139 Å²	139	88 Å²	88	60%	0.604	47%	0.471	S	S	*	.			trans	-119.9	151.7	171.4	-66.6	-177.7	-179	-179.1	0	110.5	Y80	Y80-K82 HydrophobicContact CD2-CG 4.23Å; Y80-K82 HydrophobicContact CE2-CD 4.28Å; Y80-K82 VanDerWaalsContact CE2-CE 3.45Å; Y80-K82 HydrophobicContact CE2-CG 3.8Å; Y80-K82 VanDerWaalsContact OH-CE 3.29Å; Y80-K82 WeakPolarHBondContact OH-CE 3.39Å
83	L	92	Very high	79.5	Confident	42 Å²	42	84.6 Å²	84.6	22%	0.22	46%	0.455	C	S	.	.			trans	-68.8	151.3	168.6	-69	178.7	0	0	0	110.6	E85 V172 L185 K195 T197	L83-E85 PolarHBondContact O-N 3.45Å; L83-V172 HydrophobicContact CD2-CG2 4.23Å; L83-V172 HydrophobicContact CG-CB 4.41Å; L83-V172 HydrophobicContact CG-CG1 4.12Å; L83-V172 HydrophobicContact CG-CG2 4.45Å; L83-L185 HydrophobicContact CD1-CD1 4.09Å; L83-L185 HydrophobicContact CD2-CD1 4.19Å; L83-K195 HydrophobicContact CD2-CB 4.42Å; L83-T197 HydrophobicContact CD1-CG2 3.92Å
84	P	92	Very high	81.5	Confident	52 Å²	52	89.4 Å²	89.4	34%	0.338	48%	0.479	S	S	.	.			trans	-57.7	130.5	176.5	-23.3	33.3	0	0	0	112.3	S86 F87 R183 L193	P84-S86 VanDerWaalsContact C-N 3.31Å; P84-S86 PolarHBondContact O-N 3.38Å; P84-F87 HydrophobicContact CB-CE1 4.44Å; P84-F87 HydrophobicContact CB-CE2 4.32Å; P84-F87 HydrophobicContact CB-CZ 4.09Å; P84-F87 HydrophobicContact CG-CE1 4.4Å; P84-F87 HydrophobicContact CG-CZ 4.19Å; P84-R183 PolarHBondContact O-NH1 3.32Å; P84-L193 HydrophobicContact CG-CD1 4.16Å; P84-L193 HydrophobicContact CG-CD2 4.12Å
85	E	87.5	Confident	83.5	Confident	171 Å²	171	84.3 Å²	84.3	80%	0.799	46%	0.456	S	S	*	.	S	Bend	trans	-69.4	-30.7	178.7	-67.1	-173.9	173.4	0	0	112.4	L83 R183	L83-E85 PolarHBondContact O-N 3.45Å; E85-R183 PolarHBondContact O-NH1 2.91Å; E85-R183 PolarHBondContact O-NH2 3.49Å
86	S	90.3	Very high	85	Confident	98 Å²	98	80.9 Å²	80.9	69%	0.685	44%	0.442	S	S	*	.			trans	-139	156.6	179.1	60.1	0	0	0	0	111.6	P84	P84-S86 VanDerWaalsContact C-N 3.31Å; P84-S86 PolarHBondContact O-N 3.38Å
87	F	92.1	Very high	86.3	Confident	38 Å²	38	83.3 Å²	83.3	17%	0.167	45%	0.452	C	S	.	.			trans	-125.5	152.1	178.9	-69.6	-94.8	0	0	0	110.1	P84 I89 F92 E134 L185 T189 L193	P84-F87 HydrophobicContact CB-CE1 4.44Å; P84-F87 HydrophobicContact CB-CE2 4.32Å; P84-F87 HydrophobicContact CB-CZ 4.09Å; P84-F87 HydrophobicContact CG-CE1 4.4Å; P84-F87 HydrophobicContact CG-CZ 4.19Å; F87-I89 PolarHBondContact O-N 2.87Å; F87-F92 HydrophobicContact CB-CE2 3.85Å; F87-F92 HydrophobicContact CB-CZ 4.32Å; F87-F92 HydrophobicContact CD1-CE2 4.44Å; F87-F92 HydrophobicContact CD1-CZ 4.12Å; F87-F92 HydrophobicContact CG-CE2 4.46Å; F87-F92 HydrophobicContact CG-CZ 4.45Å; F87-E134 HydrophobicContact CB-CB 4.33Å; F87-E134 HydrophobicContact CD2-CB 3.9Å; F87-E134 HydrophobicContact CD2-CG 4.3Å; F87-E134 HydrophobicContact CE1-CG 4.5Å; F87-E134 HydrophobicContact CE2-CB 4.35Å; F87-E134 HydrophobicContact CE2-CG 4.29Å; F87-E134 HydrophobicContact CG-CB 4Å; F87-E134 HydrophobicContact CG-CG 4.43Å; F87-E134 HydrophobicContact CZ-CG 4.39Å; F87-L185 HydrophobicContact CE2-CD2 3.79Å; F87-L185 HydrophobicContact CZ-CD1 4.27Å; F87-L185 HydrophobicContact CZ-CD2 3.71Å; F87-T189 HydrophobicContact CD1-CG2 4.41Å; F87-T189 HydrophobicContact CE1-CG2 3.64Å; F87-T189 HydrophobicContact CZ-CG2 4.08Å; F87-L193 HydrophobicContact CE1-CD1 3.96Å; F87-L193 HydrophobicContact CZ-CD1 3.98Å
88	D	91.2	Very high	87.9	Confident	99 Å²	99	85 Å²	85	53%	0.529	45%	0.453	S	S	.	.			trans	-70.2	104.1	171.5	-178.7	0.1	0	0	0	109.6	S90 T91 F92	D88-S90 PolarHBondContact O-N 2.91Å; D88-S90 VanDerWaalsContact O-N 3.07Å; D88-S90 VanDerWaalsContact OD1-CB 3.28Å; D88-S90 WeakPolarHBondContact OD1-CB 3.36Å; D88-S90 PolarHBondContact OD1-N 3.01Å; D88-S90 PolarHBondContact OD1-OG 3.47Å; D88-S90 PolarHBondContact OD2-OG 3.45Å; D88-T91 HydrophobicContact CB-CG2 4.23Å; D88-T91 PolarHBondContact O-N 3.43Å; D88-T91 PolarHBondContact O-OG1 2.82Å; D88-F92 WeakPolarHBondContact O-CD2 3.5Å; D88-F92 WeakPolarHBondContact O-CE2 2.98Å
89	I	90.3	Very high	89.4	Confident	95 Å²	95	79.7 Å²	79.7	49%	0.487	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-57.3	-28	-178.6	-58.6	171.1	0	0	0	110.8	F87 T91 F92 K97	F87-I89 PolarHBondContact O-N 2.87Å; I89-T91 VanDerWaalsContact C-N 3.25Å; I89-T91 PolarHBondContact O-N 2.84Å; I89-F92 PolarHBondContact O-N 3.25Å; I89-K97 HydrophobicContact CG2-CD 3.98Å; I89-K97 HydrophobicContact CG2-CG 4.17Å; I89-K97 WeakPolarHBondContact O-CE 3.37Å; I89-K97 PolarHBondContact O-NZ 3.42Å
90	S	89.7	Confident	90.6	Very high	86 Å²	86	75.6 Å²	75.6	60%	0.601	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-63.1	-30.3	-175.7	77	0	0	0	0	113.3	D88 F92	D88-S90 PolarHBondContact O-N 2.91Å; D88-S90 VanDerWaalsContact O-N 3.07Å; D88-S90 VanDerWaalsContact OD1-CB 3.28Å; D88-S90 WeakPolarHBondContact OD1-CB 3.36Å; D88-S90 PolarHBondContact OD1-N 3.01Å; D88-S90 PolarHBondContact OD1-OG 3.47Å; D88-S90 PolarHBondContact OD2-OG 3.45Å; S90-F92 VanDerWaalsContact C-N 3.34Å; S90-F92 PolarHBondContact O-N 3.21Å
91	T	90.3	Very high	91.3	Very high	97 Å²	97	79.5 Å²	79.5	60%	0.595	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-76.6	-17.8	-174.2	62.4	0	0	0	0	114	D88 I89	D88-T91 HydrophobicContact CB-CG2 4.23Å; D88-T91 PolarHBondContact O-N 3.43Å; D88-T91 PolarHBondContact O-OG1 2.82Å; I89-T91 VanDerWaalsContact C-N 3.25Å; I89-T91 PolarHBondContact O-N 2.84Å
92	F	91.8	Very high	91.6	Very high	27 Å²	27	81.5 Å²	81.5	12%	0.118	43%	0.432	C	S	.	.	S	Bend	trans	-90.3	151.7	-175.5	-65.3	-84	0	0	0	112.7	F87 D88 I89 S90 H96 K97 E134	F87-F92 HydrophobicContact CB-CE2 3.85Å; F87-F92 HydrophobicContact CB-CZ 4.32Å; F87-F92 HydrophobicContact CD1-CE2 4.44Å; F87-F92 HydrophobicContact CD1-CZ 4.12Å; F87-F92 HydrophobicContact CG-CE2 4.46Å; F87-F92 HydrophobicContact CG-CZ 4.45Å; D88-F92 WeakPolarHBondContact O-CD2 3.5Å; D88-F92 WeakPolarHBondContact O-CE2 2.98Å; I89-F92 PolarHBondContact O-N 3.25Å; S90-F92 VanDerWaalsContact C-N 3.34Å; S90-F92 PolarHBondContact O-N 3.21Å; F92-H96 HydrophobicContact CB-CB 3.98Å; F92-H96 AromaticContact CD1-CD2 3.47Å; F92-H96 VanDerWaalsContact CD1-CD2 3.47Å; F92-H96 WeakPolarHBondContact CD1-CD2 3.35Å; F92-H96 AromaticContact CD1-NE2 4Å; F92-K97 WeakPolarHBondContact O-CE 3.41Å; F92-K97 PolarHBondContact O-NZ 2.81Å; F92-E134 HydrophobicContact CE1-CB 4.18Å; F92-E134 HydrophobicContact CE1-CG 4.11Å; F92-E134 HydrophobicContact CE2-CB 4.31Å; F92-E134 HydrophobicContact CZ-CB 3.92Å; F92-E134 HydrophobicContact CZ-CG 4.06Å
93	P	93.5	Very high	91.9	Very high	42 Å²	42	75.5 Å²	75.5	27%	0.273	41%	0.406	S	S	.	.			trans	-72.1	167.2	174	32.9	-38.2	0	0	0	111.8	S95 H96 L494	P93-S95 PolarHBondContact O-N 3.49Å; P93-S95 VanDerWaalsContact O-N 3.16Å; P93-H96 WeakPolarHBondContact CG-ND1 3.43Å; P93-H96 PolarHBondContact O-N 3.17Å; P93-H96 VanDerWaalsContact O-N 3.14Å; P93-L494 HydrophobicContact CG-CD1 4.36Å; P93-L494 HydrophobicContact CG-CD2 3.93Å; P93-L494 HydrophobicContact CG-CG 4.08Å
94	L	93.5	Very high	92	Very high	118 Å²	118	75.3 Å²	75.3	62%	0.618	41%	0.409	S	S	*	.	H	α-helix	trans	-57.7	-30	178.8	-72.4	171.9	0	0	0	113.4	H96 K97 Q98	L94-H96 PolarHBondContact O-N 3.38Å; L94-K97 PolarHBondContact O-N 3.42Å; L94-Q98 VanDerWaalsContact O-CG 3.31Å; L94-Q98 WeakPolarHBondContact O-CG 3.4Å; L94-Q98 PolarHBondContact O-N 3.39Å; L94-Q98 VanDerWaalsContact O-N 3.14Å
95	S	93.2	Very high	91.9	Very high	45 Å²	45	78.2 Å²	78.2	32%	0.315	42%	0.417	S	S	.	.	H	α-helix	trans	-60.4	-27.2	179	61.2	0	0	0	0	113.6	P93 K139 W492	P93-S95 PolarHBondContact O-N 3.49Å; P93-S95 VanDerWaalsContact O-N 3.16Å; S95-K139 VanDerWaalsContact O-CE 3.31Å; S95-K139 WeakPolarHBondContact O-CE 3.25Å; S95-K139 PolarHBondContact O-NZ 3.45Å; S95-W492 VanDerWaalsContact CB-O 3.26Å; S95-W492 WeakPolarHBondContact CB-O 3.39Å; S95-W492 PolarHBondContact OG-O 2.86Å
96	H	93.4	Very high	92.1	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.009	38%	0.38	C	S	.	.	H	α-helix	trans	-82.5	-29.8	176.6	-67.5	47.7	0	0	0	111.9	F92 P93 L94 N133 E134 I137 W492	F92-H96 HydrophobicContact CB-CB 3.98Å; F92-H96 AromaticContact CD1-CD2 3.47Å; F92-H96 VanDerWaalsContact CD1-CD2 3.47Å; F92-H96 WeakPolarHBondContact CD1-CD2 3.35Å; F92-H96 AromaticContact CD1-NE2 4Å; P93-H96 WeakPolarHBondContact CG-ND1 3.43Å; P93-H96 PolarHBondContact O-N 3.17Å; P93-H96 VanDerWaalsContact O-N 3.14Å; L94-H96 PolarHBondContact O-N 3.38Å; H96-N133 PolarHBondContact O-ND2 3.37Å; H96-E134 IonicContact CD2-OE2 3.98Å; H96-I137 WeakPolarHBondContact O-CG1 3.48Å; H96-W492 AromaticContact CD2-CE3 3.98Å; H96-W492 AromaticContact CD2-CZ3 3.44Å; H96-W492 VanDerWaalsContact CD2-CZ3 3.44Å; H96-W492 WeakPolarHBondContact CD2-CZ3 3.43Å; H96-W492 AromaticContact CE1-CE3 3.79Å; H96-W492 AromaticContact CE1-CZ3 3.87Å; H96-W492 PolarHBondContact CE1-O 3.48Å; H96-W492 AromaticContact CG-CE3 3.89Å; H96-W492 AromaticContact CG-CZ3 3.79Å; H96-W492 AromaticContact ND1-CE3 3.76Å; H96-W492 AromaticContact NE2-CE3 3.92Å; H96-W492 AromaticContact NE2-CZ3 3.51Å
97	K	94.4	Very high	92.3	Very high	68 Å²	68	66.1 Å²	66.1	30%	0.296	35%	0.35	S	S	.	.	H	α-helix	trans	-89.2	-18.8	-171.3	-58.6	178.5	-166.6	-178.8	0	114	I89 F92 L94 I137	I89-K97 HydrophobicContact CG2-CD 3.98Å; I89-K97 HydrophobicContact CG2-CG 4.17Å; I89-K97 WeakPolarHBondContact O-CE 3.37Å; I89-K97 PolarHBondContact O-NZ 3.42Å; F92-K97 WeakPolarHBondContact O-CE 3.41Å; F92-K97 PolarHBondContact O-NZ 2.81Å; L94-K97 PolarHBondContact O-N 3.42Å; K97-I137 WeakPolarHBondContact O-CD1 3.46Å; K97-I137 WeakPolarHBondContact O-CG1 3.24Å
98	Q	93.9	Very high	92.3	Very high	117 Å²	117	71 Å²	71	55%	0.547	37%	0.371	S	S	.	.	S	Bend	trans	-147.7	155.5	-179.6	58.5	179.1	13.2	0	0	111.4	L94 K139	L94-Q98 VanDerWaalsContact O-CG 3.31Å; L94-Q98 WeakPolarHBondContact O-CG 3.4Å; L94-Q98 PolarHBondContact O-N 3.39Å; L94-Q98 VanDerWaalsContact O-N 3.14Å; Q98-K139 PolarHBondContact O-NZ 3.16Å
99	N	93.2	Very high	92.3	Very high	44 Å²	44	70.6 Å²	70.6	24%	0.235	36%	0.363	C	S	.	.			trans	-91.8	134.4	172.1	-70.4	-38.6	0	0	0	110.4	E103 L107 I137 Q138 K139	N99-E103 WeakPolarHBondContact CA-OE2 3.48Å; N99-E103 HydrophobicContact CB-CB 4.03Å; N99-E103 PolarHBondContact OD1-OE2 3.14Å; N99-L107 HydrophobicContact CB-CD1 4.46Å; N99-L107 WeakPolarHBondContact ND2-CD1 3.3Å; N99-I137 WeakPolarHBondContact ND2-CG2 3.4Å; N99-Q138 PolarHBondContact ND2-O 2.84Å; N99-Q138 VanDerWaalsContact ND2-O 3.13Å; N99-Q138 PolarHBondContact OD1-O 3.25Å; N99-K139 WeakPolarHBondContact OD1-CD 3.41Å; N99-K139 VanDerWaalsContact OD1-CE 3.26Å; N99-K139 WeakPolarHBondContact OD1-CE 3.45Å; N99-K139 PolarHBondContact OD1-NZ 3.11Å
100	N	92.1	Very high	92.4	Very high	69 Å²	69	66 Å²	66	37%	0.369	34%	0.34	S	S	.	.			trans	-72	172.8	169.4	71.6	49.3	0	0	0	110.7	K102 E103 S104	N100-K102 VanDerWaalsContact C-N 3.32Å; N100-K102 PolarHBondContact O-N 2.85Å; N100-K102 WeakPolarHBondContact OD1-CA 3.35Å; N100-K102 WeakPolarHBondContact OD1-CB 3.41Å; N100-K102 PolarHBondContact OD1-N 3.26Å; N100-E103 PolarHBondContact N-OE2 3.29Å; N100-E103 PolarHBondContact ND2-OE1 3.43Å; N100-E103 PolarHBondContact O-N 3.47Å; N100-E103 WeakPolarHBondContact OD1-CG 3.49Å; N100-E103 PolarHBondContact OD1-N 2.86Å; N100-S104 WeakPolarHBondContact O-CB 3.21Å; N100-S104 PolarHBondContact O-N 3Å; N100-S104 PolarHBondContact O-OG 3.3Å
101	L	91.4	Very high	92.6	Very high	143 Å²	143	65.1 Å²	65.1	75%	0.749	33%	0.326	S	S	*	.	H	α-helix	trans	-61.2	-38.4	-177.9	-72.5	170.6	0	0	0	112.8	H105	L101-H105 PolarHBondContact O-CD2 3.47Å; L101-H105 PolarHBondContact O-N 3.23Å; L101-H105 VanDerWaalsContact O-N 3.07Å
102	K	91	Very high	92.7	Very high	120 Å²	120	64 Å²	64	52%	0.522	32%	0.316	S	S	.	.	H	α-helix	trans	-68.4	-46.1	178.4	-66.4	-170.1	174.2	-168.3	0	111.2	N100 S104 H105 L106 P489	N100-K102 VanDerWaalsContact C-N 3.32Å; N100-K102 PolarHBondContact O-N 2.85Å; N100-K102 WeakPolarHBondContact OD1-CA 3.35Å; N100-K102 WeakPolarHBondContact OD1-CB 3.41Å; N100-K102 PolarHBondContact OD1-N 3.26Å; K102-S104 VanDerWaalsContact C-N 3.34Å; K102-S104 PolarHBondContact O-N 2.85Å; K102-H105 PolarHBondContact O-N 2.87Å; K102-L106 WeakPolarHBondContact O-CB 3.46Å; K102-L106 PolarHBondContact O-N 3.09Å; K102-P489 HydrophobicContact CB-CG 4.01Å
103	E	92.9	Very high	92.7	Very high	12 Å²	12	63.5 Å²	63.5	6%	0.056	31%	0.314	C	S	.	.	H	α-helix	trans	-58.4	-45.5	174.3	-71.7	169	175.3	0	0	111	N99 N100 H105 L106 L107 K139 P489	N99-E103 WeakPolarHBondContact CA-OE2 3.48Å; N99-E103 HydrophobicContact CB-CB 4.03Å; N99-E103 PolarHBondContact OD1-OE2 3.14Å; N100-E103 PolarHBondContact N-OE2 3.29Å; N100-E103 PolarHBondContact ND2-OE1 3.43Å; N100-E103 PolarHBondContact O-N 3.47Å; N100-E103 WeakPolarHBondContact OD1-CG 3.49Å; N100-E103 PolarHBondContact OD1-N 2.86Å; E103-H105 VanDerWaalsContact C-N 3.31Å; E103-H105 PolarHBondContact O-N 3.29Å; E103-L106 PolarHBondContact O-N 2.93Å; E103-L107 WeakPolarHBondContact O-CB 3.2Å; E103-L107 VanDerWaalsContact O-CG 3.26Å; E103-L107 WeakPolarHBondContact O-CG 3.47Å; E103-L107 PolarHBondContact O-N 3.44Å; E103-K139 IonicContact OE1-NZ 3.95Å; E103-K139 IonicContact OE2-NZ 3.76Å; E103-K139 PolarHBondContact OE2-NZ 3.49Å; E103-P489 HydrophobicContact CG-CB 3.9Å; E103-P489 HydrophobicContact CG-CG 3.97Å
104	S	93.5	Very high	92.5	Very high	39 Å²	39	62.6 Å²	62.6	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-35.9	178.7	-59.4	0	0	0	0	112.7	N100 K102 K108	N100-S104 WeakPolarHBondContact O-CB 3.21Å; N100-S104 PolarHBondContact O-N 3Å; N100-S104 PolarHBondContact O-OG 3.3Å; K102-S104 VanDerWaalsContact C-N 3.34Å; K102-S104 PolarHBondContact O-N 2.85Å; S104-K108 WeakPolarHBondContact O-CG 3.29Å; S104-K108 PolarHBondContact O-N 3.13Å
105	H	91.2	Very high	92.4	Very high	113 Å²	113	64.7 Å²	64.7	52%	0.523	31%	0.308	S	S	.	.	H	α-helix	trans	-69.7	-43	173.4	-72.7	-176.7	0	0	0	111.9	L101 K102 E103 K108 Y109	L101-H105 PolarHBondContact O-CD2 3.47Å; L101-H105 PolarHBondContact O-N 3.23Å; L101-H105 VanDerWaalsContact O-N 3.07Å; K102-H105 PolarHBondContact O-N 2.87Å; E103-H105 VanDerWaalsContact C-N 3.31Å; E103-H105 PolarHBondContact O-N 3.29Å; H105-K108 PolarHBondContact O-N 2.89Å; H105-Y109 PolarHBondContact O-N 3.4Å; H105-Y109 VanDerWaalsContact O-N 3.11Å
106	L	92	Very high	92.3	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-44.7	176.3	179.5	63	0	0	0	111.3	K102 E103 K108 Y109 C110 F140 T143 L391 L486 P489	K102-L106 WeakPolarHBondContact O-CB 3.46Å; K102-L106 PolarHBondContact O-N 3.09Å; E103-L106 PolarHBondContact O-N 2.93Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 2.88Å; L106-Y109 CarbonylContact O-C 3.55Å; L106-Y109 WeakPolarHBondContact O-CA 3.49Å; L106-Y109 VanDerWaalsContact O-CB 3.29Å; L106-Y109 WeakPolarHBondContact O-CB 3.43Å; L106-Y109 PolarHBondContact O-N 3Å; L106-C110 PolarHBondContact O-N 3.43Å; L106-C110 PolarHBondContact O-SG 3.23Å; L106-F140 HydrophobicContact CD2-CB 4.04Å; L106-F140 HydrophobicContact CD2-CD1 3.61Å; L106-F140 HydrophobicContact CD2-CE1 4.32Å; L106-F140 HydrophobicContact CD2-CG 4.02Å; L106-F140 HydrophobicContact CG-CD1 4.39Å; L106-F140 HydrophobicContact CG-CG 4.5Å; L106-T143 HydrophobicContact CD2-CG2 4.37Å; L106-L391 HydrophobicContact CD1-CD2 4Å; L106-L486 HydrophobicContact CD1-CD2 3.61Å; L106-P489 HydrophobicContact CD2-CG 4.06Å
107	L	93.4	Very high	92.1	Very high	13 Å²	13	65.8 Å²	65.8	7%	0.068	31%	0.308	C	S	.	.	H	α-helix	trans	-60.5	-41	177.6	-69.9	172.5	0	0	0	112.2	N99 E103 Y109 C110 E111 I130 Q138	N99-L107 HydrophobicContact CB-CD1 4.46Å; N99-L107 WeakPolarHBondContact ND2-CD1 3.3Å; E103-L107 WeakPolarHBondContact O-CB 3.2Å; E103-L107 VanDerWaalsContact O-CG 3.26Å; E103-L107 WeakPolarHBondContact O-CG 3.47Å; E103-L107 PolarHBondContact O-N 3.44Å; L107-Y109 VanDerWaalsContact C-N 3.28Å; L107-Y109 PolarHBondContact O-N 2.94Å; L107-C110 WeakPolarHBondContact O-CB 3.31Å; L107-C110 PolarHBondContact O-N 3.07Å; L107-E111 WeakPolarHBondContact O-CG 3.22Å; L107-E111 PolarHBondContact O-N 2.98Å; L107-I130 HydrophobicContact CD2-CB 4.19Å; L107-I130 HydrophobicContact CD2-CG2 3.49Å; L107-I130 VanDerWaalsContact CD2-CG2 3.49Å; L107-Q138 WeakPolarHBondContact CD1-O 3.36Å
108	K	92.7	Very high	91.9	Very high	139 Å²	139	65.3 Å²	65.3	60%	0.604	32%	0.317	S	S	*	.	H	α-helix	trans	-61.4	-37.5	173.2	-71.9	173.9	-177	179.2	0	112.2	S104 H105 L106 N112	S104-K108 WeakPolarHBondContact O-CG 3.29Å; S104-K108 PolarHBondContact O-N 3.13Å; H105-K108 PolarHBondContact O-N 2.89Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 2.88Å; K108-N112 WeakPolarHBondContact O-CB 3.37Å; K108-N112 PolarHBondContact O-N 3.07Å; K108-N112 VanDerWaalsContact O-N 3.12Å
109	Y	91.6	Very high	91.7	Very high	91 Å²	91	67.3 Å²	67.3	36%	0.357	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-47.3	175.2	-174	-93	0	0	0	111.2	H105 L106 L107 E111 N112 F113 L390 L391 L486	H105-Y109 PolarHBondContact O-N 3.4Å; H105-Y109 VanDerWaalsContact O-N 3.11Å; L106-Y109 CarbonylContact O-C 3.55Å; L106-Y109 WeakPolarHBondContact O-CA 3.49Å; L106-Y109 VanDerWaalsContact O-CB 3.29Å; L106-Y109 WeakPolarHBondContact O-CB 3.43Å; L106-Y109 PolarHBondContact O-N 3Å; L107-Y109 VanDerWaalsContact C-N 3.28Å; L107-Y109 PolarHBondContact O-N 2.94Å; Y109-E111 PolarHBondContact O-N 3.34Å; Y109-N112 WeakPolarHBondContact O-CB 3.34Å; Y109-N112 PolarHBondContact O-N 3.28Å; Y109-F113 PolarHBondContact O-N 3.13Å; Y109-L390 HydrophobicContact CD1-CD1 4.1Å; Y109-L390 HydrophobicContact CD1-CG 4.29Å; Y109-L390 HydrophobicContact CE1-CD1 3.78Å; Y109-L390 HydrophobicContact CE1-CG 3.97Å; Y109-L390 WeakPolarHBondContact CE1-O 3.44Å; Y109-L390 PolarHBondContact OH-O 3.48Å; Y109-L391 HydrophobicContact CD1-CD2 4.49Å; Y109-L391 HydrophobicContact CE1-CD2 4.36Å; Y109-L486 HydrophobicContact CG-CD2 4.45Å
110	C	92.7	Very high	91.5	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-56.9	-46.1	174.3	-67	0	0	0	0	112.2	L106 L107 N112 F113 C114 L129 I130 F140	L106-C110 PolarHBondContact O-N 3.43Å; L106-C110 PolarHBondContact O-SG 3.23Å; L107-C110 WeakPolarHBondContact O-CB 3.31Å; L107-C110 PolarHBondContact O-N 3.07Å; C110-N112 VanDerWaalsContact C-N 3.34Å; C110-N112 PolarHBondContact O-N 2.94Å; C110-F113 PolarHBondContact O-N 2.88Å; C110-C114 PolarHBondContact O-N 3.28Å; C110-C114 PolarHBondContact O-SG 2.89Å; C110-C114 VanDerWaalsContact O-SG 3.38Å; C110-L129 HydrophobicContact CB-CD2 3.54Å; C110-L129 HydrophobicContact CB-CG 4.23Å; C110-I130 HydrophobicContact CB-CG2 3.7Å; C110-F140 VanDerWaalsContact SG-CD2 3.57Å
111	E	92.5	Very high	91.2	Very high	67 Å²	67	66.8 Å²	66.8	31%	0.313	33%	0.325	S	S	.	.	H	α-helix	trans	-60.3	-42.5	176.2	-77.4	-179.3	-164.6	0	0	112.3	L107 Y109 C114 R115 I130	L107-E111 WeakPolarHBondContact O-CG 3.22Å; L107-E111 PolarHBondContact O-N 2.98Å; Y109-E111 PolarHBondContact O-N 3.34Å; E111-C114 PolarHBondContact O-N 2.69Å; E111-R115 WeakPolarHBondContact O-CG 3.45Å; E111-R115 PolarHBondContact O-N 3.28Å; E111-R115 IonicContact OE2-NH2 3.9Å; E111-R115 PolarHBondContact OE2-NH2 2.96Å; E111-I130 HydrophobicContact CG-CD1 3.91Å
112	N	92.3	Very high	90.9	Very high	72 Å²	72	64.5 Å²	64.5	39%	0.385	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-43.1	176.7	-174.9	32.5	0	0	0	111.2	K108 Y109 C110 R115 Q116	K108-N112 WeakPolarHBondContact O-CB 3.37Å; K108-N112 PolarHBondContact O-N 3.07Å; K108-N112 VanDerWaalsContact O-N 3.12Å; Y109-N112 WeakPolarHBondContact O-CB 3.34Å; Y109-N112 PolarHBondContact O-N 3.28Å; C110-N112 VanDerWaalsContact C-N 3.34Å; C110-N112 PolarHBondContact O-N 2.94Å; N112-R115 PolarHBondContact O-N 3.04Å; N112-Q116 VanDerWaalsContact CG-NE2 3.28Å; N112-Q116 PolarHBondContact ND2-NE2 3.41Å; N112-Q116 WeakPolarHBondContact O-CG 3.46Å; N112-Q116 PolarHBondContact O-N 3.36Å; N112-Q116 PolarHBondContact OD1-NE2 3.14Å; N112-Q116 VanDerWaalsContact OD1-NE2 3.1Å
113	F	92.1	Very high	90.6	Very high	17 Å²	17	66.5 Å²	66.5	8%	0.075	34%	0.335	C	S	.	.	H	α-helix	trans	-60.7	-47.2	175.1	-175.4	-95.2	0	0	0	111.6	Y109 C110 R115 Q116 Y117 L127 L129 V365 L390	Y109-F113 PolarHBondContact O-N 3.13Å; C110-F113 PolarHBondContact O-N 2.88Å; F113-R115 VanDerWaalsContact C-N 3.33Å; F113-R115 PolarHBondContact O-N 2.9Å; F113-Q116 PolarHBondContact O-N 3.02Å; F113-Y117 WeakPolarHBondContact O-CB 3.39Å; F113-Y117 PolarHBondContact O-N 2.97Å; F113-L127 HydrophobicContact CD1-CD1 4.22Å; F113-L127 HydrophobicContact CE1-CD1 3.68Å; F113-L129 HydrophobicContact CD1-CD2 4.31Å; F113-V365 HydrophobicContact CE1-CG2 3.96Å; F113-V365 HydrophobicContact CZ-CG2 4.09Å; F113-L390 HydrophobicContact CB-CD1 3.56Å; F113-L390 HydrophobicContact CD1-CD1 3.56Å; F113-L390 HydrophobicContact CD2-CD1 3.61Å; F113-L390 HydrophobicContact CE1-CD1 4.1Å; F113-L390 HydrophobicContact CE2-CD1 4.16Å; F113-L390 HydrophobicContact CG-CD1 3.27Å; F113-L390 HydrophobicContact CZ-CD1 4.38Å
114	C	90.6	Very high	90.3	Very high	23 Å²	23	69.4 Å²	69.4	16%	0.155	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-40	175.5	-71.1	0	0	0	0	112.8	C110 E111 A118 L129	C110-C114 PolarHBondContact O-N 3.28Å; C110-C114 PolarHBondContact O-SG 2.89Å; C110-C114 VanDerWaalsContact O-SG 3.38Å; E111-C114 PolarHBondContact O-N 2.69Å; C114-A118 WeakPolarHBondContact O-CB 3.47Å; C114-A118 PolarHBondContact O-N 2.98Å; C114-L129 VanDerWaalsContact SG-CD2 3.55Å
115	R	90.5	Very high	89.8	Confident	163 Å²	163	69.6 Å²	69.6	62%	0.615	35%	0.349	S	S	*	.	H	α-helix	trans	-64.8	-42.2	176.2	-73.2	176.4	-160.2	149.5	13.3	111.9	E111 N112 F113 H119	E111-R115 WeakPolarHBondContact O-CG 3.45Å; E111-R115 PolarHBondContact O-N 3.28Å; E111-R115 IonicContact OE2-NH2 3.9Å; E111-R115 PolarHBondContact OE2-NH2 2.96Å; N112-R115 PolarHBondContact O-N 3.04Å; F113-R115 VanDerWaalsContact C-N 3.33Å; F113-R115 PolarHBondContact O-N 2.9Å; R115-H119 PolarHBondContact O-N 3.36Å; R115-H119 VanDerWaalsContact O-N 3.17Å
116	Q	91	Very high	89.7	Confident	61 Å²	61	72.3 Å²	72.3	29%	0.285	36%	0.359	S	S	.	.	H	α-helix	trans	-65	-48.9	176.7	-74.9	175.6	40.7	0	0	111.1	N112 F113 A118 H119 L120 L476	N112-Q116 VanDerWaalsContact CG-NE2 3.28Å; N112-Q116 PolarHBondContact ND2-NE2 3.41Å; N112-Q116 WeakPolarHBondContact O-CG 3.46Å; N112-Q116 PolarHBondContact O-N 3.36Å; N112-Q116 PolarHBondContact OD1-NE2 3.14Å; N112-Q116 VanDerWaalsContact OD1-NE2 3.1Å; F113-Q116 PolarHBondContact O-N 3.02Å; Q116-A118 PolarHBondContact O-N 2.96Å; Q116-H119 WeakPolarHBondContact O-CB 3.5Å; Q116-H119 PolarHBondContact O-N 3.23Å; Q116-L120 WeakPolarHBondContact O-CD1 3.4Å; Q116-L120 VanDerWaalsContact O-CG 3.27Å; Q116-L120 WeakPolarHBondContact O-CG 3.17Å; Q116-L120 PolarHBondContact O-N 3.44Å; Q116-L476 HydrophobicContact CB-CD2 3.75Å; Q116-L476 HydrophobicContact CG-CD2 4.09Å
117	Y	90	Very high	89.8	Confident	9 Å²	9	72.8 Å²	72.8	4%	0.035	36%	0.362	C	S	.	.	H	α-helix	trans	-55.1	-49.5	176.3	179.4	-95.9	0	0	0	112.1	F113 H119 L120 C121 R124 L127 V365	F113-Y117 WeakPolarHBondContact O-CB 3.39Å; F113-Y117 PolarHBondContact O-N 2.97Å; Y117-H119 PolarHBondContact O-N 3.3Å; Y117-L120 PolarHBondContact O-N 2.89Å; Y117-L120 VanDerWaalsContact O-N 3.17Å; Y117-C121 HydrophobicContact CE2-CB 4.3Å; Y117-C121 PolarHBondContact O-N 3.37Å; Y117-R124 HydrophobicContact CE1-CB 4.3Å; Y117-R124 WeakPolarHBondContact OH-CB 3.4Å; Y117-R124 WeakPolarHBondContact OH-CD 3.34Å; Y117-R124 PolarHBondContact OH-NE 3.1Å; Y117-R124 PolarHBondContact OH-NH1 3.47Å; Y117-R124 PolarHBondContact OH-NH2 2.98Å; Y117-L127 HydrophobicContact CD1-CD1 3.83Å; Y117-L127 HydrophobicContact CD1-CD2 4.48Å; Y117-L127 HydrophobicContact CD1-CG 3.77Å; Y117-L127 HydrophobicContact CD2-CD1 3.96Å; Y117-L127 HydrophobicContact CE1-CD1 4.11Å; Y117-L127 HydrophobicContact CE1-CD2 3.92Å; Y117-L127 HydrophobicContact CE1-CG 3.67Å; Y117-L127 HydrophobicContact CE2-CD1 4.23Å; Y117-L127 HydrophobicContact CE2-CD2 4.31Å; Y117-L127 HydrophobicContact CE2-CG 4.45Å; Y117-L127 HydrophobicContact CG-CD1 3.73Å; Y117-L127 HydrophobicContact CG-CG 4.19Å; Y117-V365 HydrophobicContact CD2-CG1 4.43Å; Y117-V365 HydrophobicContact CE2-CG1 3.7Å
118	A	89.6	Confident	89.8	Confident	58 Å²	58	72.6 Å²	72.6	48%	0.479	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-27.8	177.7	0	0	0	0	0	113.3	C114 Q116 P122	C114-A118 WeakPolarHBondContact O-CB 3.47Å; C114-A118 PolarHBondContact O-N 2.98Å; Q116-A118 PolarHBondContact O-N 2.96Å; A118-P122 WeakPolarHBondContact O-CA 3.49Å
119	H	90	Very high	89.9	Confident	159 Å²	159	66 Å²	66	74%	0.736	33%	0.332	S	S	*	.	H	α-helix	trans	-76.8	-35.9	176.5	-174.6	59.3	0	0	0	112.8	R115 Q116 Y117	R115-H119 PolarHBondContact O-N 3.36Å; R115-H119 VanDerWaalsContact O-N 3.17Å; Q116-H119 WeakPolarHBondContact O-CB 3.5Å; Q116-H119 PolarHBondContact O-N 3.23Å; Y117-H119 PolarHBondContact O-N 3.3Å
120	L	88.2	Confident	90.1	Very high	76 Å²	76	63.1 Å²	63.1	40%	0.398	32%	0.322	S	S	.	.	H	α-helix	trans	-83.4	-35.9	-178.5	-57.9	155.9	0	0	0	113	Q116 Y117 P122 L476	Q116-L120 WeakPolarHBondContact O-CD1 3.4Å; Q116-L120 VanDerWaalsContact O-CG 3.27Å; Q116-L120 WeakPolarHBondContact O-CG 3.17Å; Q116-L120 PolarHBondContact O-N 3.44Å; Y117-L120 PolarHBondContact O-N 2.89Å; Y117-L120 VanDerWaalsContact O-N 3.17Å; L120-P122 VanDerWaalsContact O-CD 3.29Å; L120-P122 WeakPolarHBondContact O-CD 3.5Å; L120-L476 HydrophobicContact CD1-CD1 3.04Å; L120-L476 HydrophobicContact CD1-CD2 3.46Å; L120-L476 VanDerWaalsContact CD1-CD2 3.46Å; L120-L476 HydrophobicContact CD1-CG 3.76Å; L120-L476 HydrophobicContact CD2-CD1 3.65Å; L120-L476 HydrophobicContact CD2-CD2 4.07Å; L120-L476 HydrophobicContact CD2-CG 4.2Å; L120-L476 HydrophobicContact CG-CD1 3.86Å; L120-L476 HydrophobicContact CG-CD2 4.01Å; L120-L476 HydrophobicContact CG-CG 4.44Å
121	C	85.9	Confident	90.3	Very high	26 Å²	26	63.6 Å²	63.6	18%	0.176	33%	0.325	C	S	.	.			trans	-121.6	63.9	-174.6	-60.6	0	0	0	0	109	Y117 D123 R124	Y117-C121 HydrophobicContact CE2-CB 4.3Å; Y117-C121 PolarHBondContact O-N 3.37Å; C121-D123 PolarHBondContact O-N 3.03Å; C121-R124 HydrophobicContact CB-CB 4.04Å; C121-R124 HydrophobicContact CB-CG 4.02Å; C121-R124 PolarHBondContact O-N 3.39Å; C121-R124 VanDerWaalsContact O-N 3.13Å
122	P	85.2	Confident	90.5	Very high	94 Å²	94	62 Å²	62	61%	0.61	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.2	-175.6	27.4	-36.1	0	0	0	113.1	A118 L120	A118-P122 WeakPolarHBondContact O-CA 3.49Å; L120-P122 VanDerWaalsContact O-CD 3.29Å; L120-P122 WeakPolarHBondContact O-CD 3.5Å
123	D	84.8	Confident	90.6	Very high	163 Å²	163	58.6 Å²	58.6	87%	0.872	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.4	-179.4	-58.3	-39.5	0	0	0	113.2	C121	C121-D123 PolarHBondContact O-N 3.03Å
124	R	87.1	Confident	90.7	Very high	72 Å²	72	58 Å²	58	27%	0.272	30%	0.299	S	S	.	.	S	Bend	trans	-95.9	152.5	-179.7	-69.1	-172.3	69.3	-172.6	0.5	112	Y117 C121 E355 N366	Y117-R124 HydrophobicContact CE1-CB 4.3Å; Y117-R124 WeakPolarHBondContact OH-CB 3.4Å; Y117-R124 WeakPolarHBondContact OH-CD 3.34Å; Y117-R124 PolarHBondContact OH-NE 3.1Å; Y117-R124 PolarHBondContact OH-NH1 3.47Å; Y117-R124 PolarHBondContact OH-NH2 2.98Å; C121-R124 HydrophobicContact CB-CB 4.04Å; C121-R124 HydrophobicContact CB-CG 4.02Å; C121-R124 PolarHBondContact O-N 3.39Å; C121-R124 VanDerWaalsContact O-N 3.13Å; R124-E355 IonicContact CZ-OE2 2.67Å; R124-E355 IonicContact NE-OE2 3.03Å; R124-E355 PolarHBondContact NE-OE2 3.42Å; R124-E355 IonicContact NH2-OE2 3.38Å; R124-E355 PolarHBondContact NH2-OE2 3.39Å; R124-N366 VanDerWaalsContact CZ-O 3.3Å; R124-N366 PolarHBondContact NH1-O 3.38Å; R124-N366 PolarHBondContact NH2-O 2.92Å
125	A	83	Confident	90.9	Very high	43 Å²	43	57.5 Å²	57.5	36%	0.355	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-63.1	156.6	177.2	0	0	0	0	0	112.1	L127	A125-L127 PolarHBondContact O-N 3.36Å
126	K	89.5	Confident	91.1	Very high	171 Å²	171	54.5 Å²	54.5	74%	0.743	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-64.9	135.2	175.5	-176.2	-178	176.5	-173.5	0	110.2	L180	K126-L180 WeakPolarHBondContact O-CD1 3.49Å
127	L	92.3	Very high	91.3	Very high	11 Å²	11	53.7 Å²	53.7	6%	0.058	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-67.8	138.8	175.8	-62.9	177.7	0	0	0	113	F113 Y117 A125 L129 Y363 V365	F113-L127 HydrophobicContact CD1-CD1 4.22Å; F113-L127 HydrophobicContact CE1-CD1 3.68Å; Y117-L127 HydrophobicContact CD1-CD1 3.83Å; Y117-L127 HydrophobicContact CD1-CD2 4.48Å; Y117-L127 HydrophobicContact CD1-CG 3.77Å; Y117-L127 HydrophobicContact CD2-CD1 3.96Å; Y117-L127 HydrophobicContact CE1-CD1 4.11Å; Y117-L127 HydrophobicContact CE1-CD2 3.92Å; Y117-L127 HydrophobicContact CE1-CG 3.67Å; Y117-L127 HydrophobicContact CE2-CD1 4.23Å; Y117-L127 HydrophobicContact CE2-CD2 4.31Å; Y117-L127 HydrophobicContact CE2-CG 4.45Å; Y117-L127 HydrophobicContact CG-CD1 3.73Å; Y117-L127 HydrophobicContact CG-CG 4.19Å; A125-L127 PolarHBondContact O-N 3.36Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 3.5Å; L127-Y363 HydrophobicContact CD1-CE1 4.47Å; L127-V365 HydrophobicContact CD1-CG2 3.64Å; L127-V365 HydrophobicContact CD2-CG1 4.12Å; L127-V365 HydrophobicContact CD2-CG2 4.06Å
128	F	95.1	Very high	91.7	Very high	10 Å²	10	57.2 Å²	57.2	4%	0.044	31%	0.306	C	S	.	.			trans	-81.3	75.8	173.8	-166.2	-122.2	0	0	0	111.7	P131 V141 L180 P181 L184 F199 W358 Y363	F128-P131 HydrophobicContact CE1-CG 4.3Å; F128-P131 HydrophobicContact CE2-CB 3.65Å; F128-P131 HydrophobicContact CE2-CG 3.94Å; F128-P131 HydrophobicContact CZ-CB 3.79Å; F128-P131 HydrophobicContact CZ-CG 3.73Å; F128-V141 HydrophobicContact CD1-CG1 3.94Å; F128-V141 HydrophobicContact CE1-CG1 3.98Å; F128-V141 WeakPolarHBondContact O-CG1 3.46Å; F128-L180 HydrophobicContact CB-CD1 3.71Å; F128-L180 HydrophobicContact CB-CD2 3.78Å; F128-L180 HydrophobicContact CB-CG 4.33Å; F128-L180 HydrophobicContact CD2-CB 4.06Å; F128-L180 HydrophobicContact CD2-CD1 4.17Å; F128-L180 HydrophobicContact CD2-CD2 4.02Å; F128-L180 HydrophobicContact CD2-CG 4.32Å; F128-L180 HydrophobicContact CG-CD1 4.36Å; F128-L180 HydrophobicContact CG-CD2 3.96Å; F128-P181 HydrophobicContact CE2-CG 3.95Å; F128-P181 VanDerWaalsContact CE2-O 3.25Å; F128-P181 WeakPolarHBondContact CE2-O 3.37Å; F128-P181 HydrophobicContact CZ-CG 3.89Å; F128-L184 HydrophobicContact CE1-CD1 4.43Å; F128-L184 HydrophobicContact CE1-CD2 4.17Å; F128-L184 HydrophobicContact CZ-CB 4.1Å; F128-L184 HydrophobicContact CZ-CD1 4.43Å; F128-L184 HydrophobicContact CZ-CD2 4.41Å; F128-F199 AromaticContact CD1-CD1 3.93Å; F128-F199 HydrophobicContact CD1-CD1 3.93Å; F128-F199 AromaticContact CD1-CE1 3.72Å; F128-F199 HydrophobicContact CD1-CE1 3.72Å; F128-F199 AromaticContact CE1-CD1 3.6Å; F128-F199 HydrophobicContact CE1-CD1 3.6Å; F128-F199 AromaticContact CE1-CE1 3.86Å; F128-F199 HydrophobicContact CE1-CE1 3.86Å; F128-F199 HydrophobicContact CE1-CG 4.4Å; F128-F199 HydrophobicContact CG-CE1 4.33Å; F128-F199 HydrophobicContact CZ-CD1 4.29Å; F128-W358 AromaticContact CD1-CH2 3.8Å; F128-W358 HydrophobicContact CD1-CH2 3.8Å; F128-W358 HydrophobicContact CD1-CZ2 4.19Å; F128-W358 HydrophobicContact CD1-CZ3 4.49Å; F128-W358 HydrophobicContact CE1-CH2 4.39Å; F128-W358 HydrophobicContact CE1-CZ2 4.44Å; F128-Y363 PolarHBondContact N-OH 2.95Å; F128-Y363 WeakPolarHBondContact O-CE2 3.32Å
129	L	94.1	Very high	92	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	28%	0.284	C	S	.	.			trans	-107.9	-44.8	-169.9	-155.6	70.3	0	0	0	114	C110 F113 C114 L127 F140 V141 Y363 L390	C110-L129 HydrophobicContact CB-CD2 3.54Å; C110-L129 HydrophobicContact CB-CG 4.23Å; F113-L129 HydrophobicContact CD1-CD2 4.31Å; C114-L129 VanDerWaalsContact SG-CD2 3.55Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 3.5Å; L129-F140 HydrophobicContact CD1-CD2 4.34Å; L129-F140 HydrophobicContact CD1-CE2 3.58Å; L129-F140 HydrophobicContact CG-CD2 4.1Å; L129-F140 HydrophobicContact CG-CE2 3.8Å; L129-F140 WeakPolarHBondContact O-CD2 3.3Å; L129-V141 PolarHBondContact O-N 3.31Å; L129-V141 VanDerWaalsContact O-N 3.11Å; L129-Y363 HydrophobicContact CD1-CD1 3.49Å; L129-Y363 VanDerWaalsContact CD1-CD1 3.49Å; L129-Y363 HydrophobicContact CD1-CD2 3.59Å; L129-Y363 HydrophobicContact CD1-CE1 3.56Å; L129-Y363 HydrophobicContact CD1-CE2 3.7Å; L129-Y363 HydrophobicContact CD1-CG 3.49Å; L129-Y363 VanDerWaalsContact CD1-CG 3.49Å; L129-L390 HydrophobicContact CD1-CD2 4.28Å; L129-L390 HydrophobicContact CD2-CD1 4.45Å; L129-L390 HydrophobicContact CD2-CD2 4.42Å
130	I	95.5	Very high	92.2	Very high	29 Å²	29	47.2 Å²	47.2	15%	0.149	25%	0.25	C	C	.	.	S	Bend	trans	-132.8	59.9	-170	52.5	168	0	0	0	112.5	L107 C110 E111 K139	L107-I130 HydrophobicContact CD2-CB 4.19Å; L107-I130 HydrophobicContact CD2-CG2 3.49Å; L107-I130 VanDerWaalsContact CD2-CG2 3.49Å; C110-I130 HydrophobicContact CB-CG2 3.7Å; E111-I130 HydrophobicContact CG-CD1 3.91Å; I130-K139 WeakPolarHBondContact CA-O 3.45Å
131	P	96	Very high	92.6	Very high	10 Å²	10	43.6 Å²	43.6	7%	0.065	23%	0.231	C	C	.	.			trans	-63.7	162.1	173.6	29.8	-35.3	0	0	0	111.8	F128 Q138 K139 V141 L184	F128-P131 HydrophobicContact CE1-CG 4.3Å; F128-P131 HydrophobicContact CE2-CB 3.65Å; F128-P131 HydrophobicContact CE2-CG 3.94Å; F128-P131 HydrophobicContact CZ-CB 3.79Å; F128-P131 HydrophobicContact CZ-CG 3.73Å; P131-Q138 WeakPolarHBondContact O-CA 3.35Å; P131-K139 WeakPolarHBondContact CD-O 3.37Å; P131-K139 PolarHBondContact O-N 3.24Å; P131-V141 VanDerWaalsContact CD-CG1 3.47Å; P131-V141 HydrophobicContact CG-CG1 3.77Å; P131-L184 HydrophobicContact CB-CB 3.96Å; P131-L184 HydrophobicContact CG-CB 3.68Å; P131-L184 HydrophobicContact CG-CD2 4.19Å
132	T	96.8	Very high	93.1	Very high	34 Å²	34	42.4 Å²	42.4	21%	0.209	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-78.1	153	168.6	55.5	0	0	0	0	110.9	I137 Q138 K182 R183 L184	T132-I137 CarbonylContact C-O 3.48Å; T132-I137 WeakPolarHBondContact CA-O 3.37Å; T132-Q138 HydrophobicContact CG2-CG 4.13Å; T132-K182 PolarHBondContact N-O 3.12Å; T132-K182 PolarHBondContact OG1-O 2.86Å; T132-R183 CarbonylContact O-C 3.54Å; T132-R183 WeakPolarHBondContact O-CA 3.3Å; T132-R183 WeakPolarHBondContact O-CG 3.42Å; T132-L184 PolarHBondContact O-N 3.17Å
133	N	95.6	Very high	93.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.195	C	C	.	.			trans	-95.7	-167.1	171.1	73.4	-5.6	0	0	0	111.5	H96 C135 D136 I137 K139 R183 W492	H96-N133 PolarHBondContact O-ND2 3.37Å; N133-C135 PolarHBondContact O-N 2.86Å; N133-C135 PolarHBondContact OD1-N 2.92Å; N133-D136 PolarHBondContact O-N 3.12Å; N133-D136 PolarHBondContact OD1-N 3.3Å; N133-I137 PolarHBondContact N-O 3Å; N133-I137 PolarHBondContact OD1-N 3.49Å; N133-I137 PolarHBondContact OD1-O 3.34Å; N133-K139 HydrophobicContact CB-CG 4.25Å; N133-R183 WeakPolarHBondContact O-CD 3.41Å; N133-R183 WeakPolarHBondContact O-CG 3.35Å; N133-R183 PolarHBondContact O-NE 3.29Å; N133-W492 HydrophobicContact CB-CH2 3.47Å; N133-W492 VanDerWaalsContact CB-CH2 3.47Å; N133-W492 HydrophobicContact CB-CZ2 4.07Å; N133-W492 HydrophobicContact CB-CZ3 3.97Å
134	E	94.9	Very high	94.1	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.014	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.3	179.3	-56.7	88.4	161.2	0	0	114	F87 F92 H96 L185 S186 T189	F87-E134 HydrophobicContact CB-CB 4.33Å; F87-E134 HydrophobicContact CD2-CB 3.9Å; F87-E134 HydrophobicContact CD2-CG 4.3Å; F87-E134 HydrophobicContact CE1-CG 4.5Å; F87-E134 HydrophobicContact CE2-CB 4.35Å; F87-E134 HydrophobicContact CE2-CG 4.29Å; F87-E134 HydrophobicContact CG-CB 4Å; F87-E134 HydrophobicContact CG-CG 4.43Å; F87-E134 HydrophobicContact CZ-CG 4.39Å; F92-E134 HydrophobicContact CE1-CB 4.18Å; F92-E134 HydrophobicContact CE1-CG 4.11Å; F92-E134 HydrophobicContact CE2-CB 4.31Å; F92-E134 HydrophobicContact CZ-CB 3.92Å; F92-E134 HydrophobicContact CZ-CG 4.06Å; H96-E134 IonicContact CD2-OE2 3.98Å; E134-L185 HydrophobicContact CG-CD2 3.92Å; E134-S186 VanDerWaalsContact OE1-CB 3.25Å; E134-S186 WeakPolarHBondContact OE1-CB 3.26Å; E134-S186 PolarHBondContact OE1-N 2.84Å; E134-S186 PolarHBondContact OE1-OG 3.33Å; E134-T189 HydrophobicContact CG-CG2 3.89Å; E134-T189 WeakPolarHBondContact OE1-CB 3.33Å; E134-T189 PolarHBondContact OE1-OG1 3.06Å
135	C	94.6	Very high	94.5	Very high	13 Å²	13	27.3 Å²	27.3	9%	0.088	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	15.2	179.8	-64.8	0	0	0	0	112.5	N133 I137	N133-C135 PolarHBondContact O-N 2.86Å; N133-C135 PolarHBondContact OD1-N 2.92Å; C135-I137 HydrophobicContact CB-CG1 4.29Å; C135-I137 PolarHBondContact O-N 3.31Å
136	D	94.3	Very high	94.9	Very high	100 Å²	100	25.7 Å²	25.7	54%	0.535	13%	0.128	S	C	.	.	S	Bend	trans	59.4	24	-176.8	-59.9	-43.5	0	0	0	114.6	N133 R183	N133-D136 PolarHBondContact O-N 3.12Å; N133-D136 PolarHBondContact OD1-N 3.3Å; D136-R183 IonicContact OD1-CZ 3.65Å; D136-R183 IonicContact OD1-NE 3.86Å; D136-R183 IonicContact OD1-NH2 3.56Å; D136-R183 PolarHBondContact OD1-NH2 2.95Å; D136-R183 IonicContact OD2-NH2 2.89Å
137	I	95.9	Very high	95	Very high	44 Å²	44	22.5 Å²	22.5	23%	0.226	11%	0.114	C	C	.	.			trans	-93.8	130.2	174.9	-57.5	-58.6	0	0	0	109.4	H96 K97 N99 T132 N133 C135 K139	H96-I137 WeakPolarHBondContact O-CG1 3.48Å; K97-I137 WeakPolarHBondContact O-CD1 3.46Å; K97-I137 WeakPolarHBondContact O-CG1 3.24Å; N99-I137 WeakPolarHBondContact ND2-CG2 3.4Å; T132-I137 CarbonylContact C-O 3.48Å; T132-I137 WeakPolarHBondContact CA-O 3.37Å; N133-I137 PolarHBondContact N-O 3Å; N133-I137 PolarHBondContact OD1-N 3.49Å; N133-I137 PolarHBondContact OD1-O 3.34Å; C135-I137 HydrophobicContact CB-CG1 4.29Å; C135-I137 PolarHBondContact O-N 3.31Å; I137-K139 PolarHBondContact O-N 2.94Å
138	Q	96.7	Very high	94.8	Very high	84 Å²	84	23 Å²	23	39%	0.393	12%	0.118	S	C	.	.	B	Isolated β-bridge	trans	-66.8	129.9	175.5	-71.4	177.9	-22.2	0	0	111	N99 L107 P131 T132	N99-Q138 PolarHBondContact ND2-O 2.84Å; N99-Q138 VanDerWaalsContact ND2-O 3.13Å; N99-Q138 PolarHBondContact OD1-O 3.25Å; L107-Q138 WeakPolarHBondContact CD1-O 3.36Å; P131-Q138 WeakPolarHBondContact O-CA 3.35Å; T132-Q138 HydrophobicContact CG2-CG 4.13Å
139	K	96.1	Very high	94.5	Very high	3 Å²	3	30 Å²	30	1%	0.013	15%	0.145	C	C	.	.			trans	-133.2	146.5	180	-66.7	-64.4	-169.8	179.8	0	110.1	S95 Q98 N99 E103 I130 P131 N133 I137 W492	S95-K139 VanDerWaalsContact O-CE 3.31Å; S95-K139 WeakPolarHBondContact O-CE 3.25Å; S95-K139 PolarHBondContact O-NZ 3.45Å; Q98-K139 PolarHBondContact O-NZ 3.16Å; N99-K139 WeakPolarHBondContact OD1-CD 3.41Å; N99-K139 VanDerWaalsContact OD1-CE 3.26Å; N99-K139 WeakPolarHBondContact OD1-CE 3.45Å; N99-K139 PolarHBondContact OD1-NZ 3.11Å; E103-K139 IonicContact OE1-NZ 3.95Å; E103-K139 IonicContact OE2-NZ 3.76Å; E103-K139 PolarHBondContact OE2-NZ 3.49Å; I130-K139 WeakPolarHBondContact CA-O 3.45Å; P131-K139 WeakPolarHBondContact CD-O 3.37Å; P131-K139 PolarHBondContact O-N 3.24Å; N133-K139 HydrophobicContact CB-CG 4.25Å; I137-K139 PolarHBondContact O-N 2.94Å; K139-W492 HydrophobicContact CB-CZ2 3.93Å; K139-W492 HydrophobicContact CD-CD2 3.97Å; K139-W492 HydrophobicContact CD-CG 3.82Å; K139-W492 HydrophobicContact CG-CD2 3.94Å; K139-W492 HydrophobicContact CG-CG 4.28Å; K139-W492 HydrophobicContact CG-CH2 4.47Å; K139-W492 HydrophobicContact CG-CZ2 3.83Å
140	F	95.7	Very high	94.4	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.013	15%	0.148	C	C	.	.			trans	-76.8	132.4	177.1	179.5	-127	0	0	0	110.3	L106 C110 L129 C142 T143 T144 L390 L488	L106-F140 HydrophobicContact CD2-CB 4.04Å; L106-F140 HydrophobicContact CD2-CD1 3.61Å; L106-F140 HydrophobicContact CD2-CE1 4.32Å; L106-F140 HydrophobicContact CD2-CG 4.02Å; L106-F140 HydrophobicContact CG-CD1 4.39Å; L106-F140 HydrophobicContact CG-CG 4.5Å; C110-F140 VanDerWaalsContact SG-CD2 3.57Å; L129-F140 HydrophobicContact CD1-CD2 4.34Å; L129-F140 HydrophobicContact CD1-CE2 3.58Å; L129-F140 HydrophobicContact CG-CD2 4.1Å; L129-F140 HydrophobicContact CG-CE2 3.8Å; L129-F140 WeakPolarHBondContact O-CD2 3.3Å; F140-C142 VanDerWaalsContact C-N 3.3Å; F140-C142 HydrophobicContact CD1-CB 3.71Å; F140-C142 HydrophobicContact CE1-CB 3.36Å; F140-C142 WeakPolarHBondContact CE1-SG 3.3Å; F140-C142 HydrophobicContact CZ-CB 4.05Å; F140-C142 WeakPolarHBondContact CZ-SG 3.3Å; F140-C142 PolarHBondContact O-N 3.14Å; F140-T143 HydrophobicContact CB-CG2 4.43Å; F140-T143 HydrophobicContact CD1-CG2 4.21Å; F140-T143 PolarHBondContact O-N 3.05Å; F140-T143 PolarHBondContact O-OG1 3.18Å; F140-T144 PolarHBondContact O-N 2.97Å; F140-T144 PolarHBondContact O-OG1 3.43Å; F140-L390 HydrophobicContact CE1-CD2 4.38Å; F140-L390 HydrophobicContact CE2-CD2 3.52Å; F140-L390 HydrophobicContact CZ-CD2 3.42Å; F140-L390 VanDerWaalsContact CZ-CD2 3.42Å; F140-L488 HydrophobicContact CE1-CD1 4.28Å
141	V	96.4	Very high	94.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-54.7	-39.9	-173.1	-68.4	0	0	0	0	113.9	F128 L129 P131 T143 T144 L184 W358 Y363	F128-V141 HydrophobicContact CD1-CG1 3.94Å; F128-V141 HydrophobicContact CE1-CG1 3.98Å; F128-V141 WeakPolarHBondContact O-CG1 3.46Å; L129-V141 PolarHBondContact O-N 3.31Å; L129-V141 VanDerWaalsContact O-N 3.11Å; P131-V141 VanDerWaalsContact CD-CG1 3.47Å; P131-V141 HydrophobicContact CG-CG1 3.77Å; V141-T143 VanDerWaalsContact C-N 3.29Å; V141-T143 PolarHBondContact O-N 3.17Å; V141-T144 VanDerWaalsContact O-CB 3.31Å; V141-T144 WeakPolarHBondContact O-CB 3.47Å; V141-T144 PolarHBondContact O-N 2.78Å; V141-T144 VanDerWaalsContact O-N 3.08Å; V141-T144 PolarHBondContact O-OG1 3.14Å; V141-L184 HydrophobicContact CG1-CD2 4.27Å; V141-W358 HydrophobicContact CB-CD2 4.41Å; V141-W358 HydrophobicContact CB-CG 4.5Å; V141-W358 HydrophobicContact CB-CZ2 4.43Å; V141-W358 HydrophobicContact CG2-CD2 3.95Å; V141-W358 HydrophobicContact CG2-CG 3.88Å; V141-Y363 HydrophobicContact CG2-CD2 3.61Å; V141-Y363 HydrophobicContact CG2-CE2 3.85Å
142	C	95.5	Very high	93.9	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.014	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-34.9	177.4	-55.9	0	0	0	0	112.7	F140 T144 L145 N359 N362 L488	F140-C142 VanDerWaalsContact C-N 3.3Å; F140-C142 HydrophobicContact CD1-CB 3.71Å; F140-C142 HydrophobicContact CE1-CB 3.36Å; F140-C142 WeakPolarHBondContact CE1-SG 3.3Å; F140-C142 HydrophobicContact CZ-CB 4.05Å; F140-C142 WeakPolarHBondContact CZ-SG 3.3Å; F140-C142 PolarHBondContact O-N 3.14Å; C142-T144 PolarHBondContact O-N 3.32Å; C142-L145 PolarHBondContact O-N 3.21Å; C142-N359 WeakPolarHBondContact CA-O 3.4Å; C142-N359 WeakPolarHBondContact CB-O 3.34Å; C142-N359 PolarHBondContact SG-O 3Å; C142-N362 PolarHBondContact SG-O 3.18Å; C142-L488 HydrophobicContact CB-CD1 4.22Å; C142-L488 HydrophobicContact CB-CD2 4.29Å
143	T	94.7	Very high	93.6	Very high	4 Å²	4	41 Å²	41	3%	0.025	21%	0.205	C	C	.	.	H	α-helix	trans	-75.7	-6.7	178	59.8	0	0	0	0	113.4	L106 F140 V141 L488 P489 S491 W492	L106-T143 HydrophobicContact CD2-CG2 4.37Å; F140-T143 HydrophobicContact CB-CG2 4.43Å; F140-T143 HydrophobicContact CD1-CG2 4.21Å; F140-T143 PolarHBondContact O-N 3.05Å; F140-T143 PolarHBondContact O-OG1 3.18Å; V141-T143 VanDerWaalsContact C-N 3.29Å; V141-T143 PolarHBondContact O-N 3.17Å; T143-L488 HydrophobicContact CG2-CD2 3.5Å; T143-P489 HydrophobicContact CG2-CB 4.31Å; T143-P489 HydrophobicContact CG2-CG 4.45Å; T143-S491 VanDerWaalsContact O-CA 3.27Å; T143-S491 WeakPolarHBondContact O-CA 2.99Å; T143-S491 PolarHBondContact O-OG 3.26Å; T143-S491 VanDerWaalsContact O-OG 3.04Å; T143-W492 PolarHBondContact O-N 3.45Å; T143-W492 PolarHBondContact O-NE1 3.25Å
144	T	96.5	Very high	93.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-82.9	-21.4	175	-50.6	0	0	0	0	111.7	F140 V141 C142 L184 P187 T203 W492 T493	F140-T144 PolarHBondContact O-N 2.97Å; F140-T144 PolarHBondContact O-OG1 3.43Å; V141-T144 VanDerWaalsContact O-CB 3.31Å; V141-T144 WeakPolarHBondContact O-CB 3.47Å; V141-T144 PolarHBondContact O-N 2.78Å; V141-T144 VanDerWaalsContact O-N 3.08Å; V141-T144 PolarHBondContact O-OG1 3.14Å; C142-T144 PolarHBondContact O-N 3.32Å; T144-L184 HydrophobicContact CG2-CD2 4.05Å; T144-L184 HydrophobicContact CG2-CG 4.38Å; T144-P187 WeakPolarHBondContact O-CD 3.3Å; T144-T203 HydrophobicContact CG2-CG2 4.04Å; T144-W492 HydrophobicContact CG2-CH2 4.39Å; T144-W492 HydrophobicContact CG2-CZ2 3.69Å; T144-W492 WeakPolarHBondContact OG1-CZ2 3.32Å; T144-W492 PolarHBondContact OG1-NE1 3.16Å; T144-T493 HydrophobicContact CG2-CG2 4.22Å; T144-T493 VanDerWaalsContact O-CG2 3.29Å; T144-T493 WeakPolarHBondContact O-CG2 3.4Å
145	L	95.8	Very high	93.3	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.037	22%	0.223	C	C	.	.			trans	-70.6	138.3	176.7	-65.1	170.1	0	0	0	110.8	C142 T203 C206 S207 I210 I218 D360 S491	C142-L145 PolarHBondContact O-N 3.21Å; L145-T203 HydrophobicContact CD2-CG2 4.13Å; L145-C206 HydrophobicContact CD2-CB 4.1Å; L145-S207 WeakPolarHBondContact CD2-OG 3.5Å; L145-I210 HydrophobicContact CD1-CD1 4.15Å; L145-I218 HydrophobicContact CD2-CD1 3.8Å; L145-D360 HydrophobicContact CB-CB 4.32Å; L145-D360 HydrophobicContact CD1-CB 4.33Å; L145-S491 WeakPolarHBondContact O-CB 3.44Å; L145-S491 PolarHBondContact O-OG 2.71Å
146	S	91.2	Very high	93.2	Very high	8 Å²	8	47.6 Å²	47.6	6%	0.056	23%	0.233	C	C	.	.			trans	-126.2	106.2	-174.4	-167.3	0	0	0	0	111.3	T148 S207 T493	S146-T148 PolarHBondContact O-N 3.14Å; S146-T148 PolarHBondContact OG-OG1 3.35Å; S146-S207 PolarHBondContact N-OG 3.26Å; S146-S207 VanDerWaalsContact N-OG 3.14Å; S146-S207 WeakPolarHBondContact O-CB 3.47Å; S146-T493 VanDerWaalsContact CB-OG1 3.29Å; S146-T493 WeakPolarHBondContact CB-OG1 3.25Å; S146-T493 PolarHBondContact OG-OG1 2.77Å
147	K	91.2	Very high	93.3	Very high	104 Å²	104	46.4 Å²	46.4	45%	0.452	23%	0.226	S	C	.	.			trans	-74.8	90.5	176.3	-61.6	-172.7	-169.1	178.1	0	110.4	I210 D360	K147-I210 HydrophobicContact CD-CG2 3.9Å; K147-I210 VanDerWaalsContact CE-CG2 3.43Å; K147-I210 HydrophobicContact CG-CG2 3.86Å; K147-D360 WeakPolarHBondContact CE-OD2 3.42Å; K147-D360 IonicContact NZ-OD1 3.81Å; K147-D360 IonicContact NZ-OD2 3.45Å; K147-D360 PolarHBondContact NZ-OD2 2.93Å
148	T	89.3	Confident	93.2	Very high	22 Å²	22	47.3 Å²	47.3	14%	0.135	23%	0.226	C	C	.	.			trans	-120.2	124.2	178.6	-50.2	0	0	0	0	110.9	S146 A211 P495 I496	S146-T148 PolarHBondContact O-N 3.14Å; S146-T148 PolarHBondContact OG-OG1 3.35Å; T148-A211 VanDerWaalsContact O-CB 3.29Å; T148-A211 WeakPolarHBondContact O-CB 3.3Å; T148-P495 HydrophobicContact CG2-CB 3.97Å; T148-P495 WeakPolarHBondContact OG1-CA 3.37Å; T148-I496 HydrophobicContact CG2-CB 4.37Å; T148-I496 VanDerWaalsContact CG2-O 3.26Å; T148-I496 WeakPolarHBondContact CG2-O 3.46Å; T148-I496 PolarHBondContact OG1-N 2.96Å
149	Y	88.6	Confident	93.1	Very high	156 Å²	156	47.4 Å²	47.4	61%	0.612	23%	0.227	S	C	*	.			trans	-79.6	122.6	172.3	-69.2	-84.1	0	0	0	109.9	Y156 A211	Y149-Y156 HydrophobicContact CD1-CE1 4.27Å; Y149-A211 WeakPolarHBondContact CE1-O 3.4Å; Y149-A211 PolarHBondContact OH-O 2.99Å
150	L	90.9	Very high	93.1	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.063	24%	0.241	C	C	.	.			trans	-96.5	148	176.1	-62.5	179.2	0	0	0	110.5	Y152 L155 Y156 L208 I496 I498	L150-Y152 HydrophobicContact CB-CD2 3.97Å; L150-Y152 PolarHBondContact O-N 3.31Å; L150-L155 HydrophobicContact CB-CD1 4.39Å; L150-L155 HydrophobicContact CD1-CD1 3.56Å; L150-Y156 PolarHBondContact O-OH 2.82Å; L150-L208 HydrophobicContact CD1-CD2 3.55Å; L150-L208 HydrophobicContact CG-CD2 4.25Å; L150-I496 HydrophobicContact CD1-CG2 4.47Å; L150-I496 HydrophobicContact CD2-CG2 4.32Å; L150-I496 VanDerWaalsContact CD2-O 3.24Å; L150-I496 WeakPolarHBondContact CD2-O 3.32Å; L150-I498 HydrophobicContact CD1-CD1 3.76Å; L150-I498 HydrophobicContact CD1-CG1 4.22Å
151	N	89.7	Confident	93.1	Very high	154 Å²	154	50.4 Å²	50.4	82%	0.824	24%	0.241	S	C	*	.	S	Bend	trans	-77.4	28.7	-179.5	-65.4	-24.3	0	0	0	113.6
152	Y	90.9	Very high	93.1	Very high	40 Å²	40	50.4 Å²	50.4	16%	0.157	24%	0.241	C	C	.	.			trans	-119.9	100.6	-177.9	-54.3	-63.9	0	0	0	108.8	L150 E154 L155 I498 Q500 F503	L150-Y152 HydrophobicContact CB-CD2 3.97Å; L150-Y152 PolarHBondContact O-N 3.31Å; Y152-E154 PolarHBondContact O-N 2.94Å; Y152-E154 VanDerWaalsContact O-N 3.15Å; Y152-L155 HydrophobicContact CD2-CD1 4Å; Y152-L155 HydrophobicContact CG-CD1 4.43Å; Y152-L155 PolarHBondContact O-N 3.08Å; Y152-I498 HydrophobicContact CE2-CB 4.23Å; Y152-I498 PolarHBondContact OH-O 3.17Å; Y152-Q500 VanDerWaalsContact OH-CA 3.31Å; Y152-Q500 WeakPolarHBondContact OH-CA 3.36Å; Y152-Q500 PolarHBondContact OH-N 3.09Å; Y152-F503 AromaticContact CD1-CD1 3.6Å; Y152-F503 HydrophobicContact CD1-CD1 3.6Å; Y152-F503 HydrophobicContact CD1-CD2 4.12Å; Y152-F503 AromaticContact CD1-CE1 3.61Å; Y152-F503 HydrophobicContact CD1-CE1 3.61Å; Y152-F503 HydrophobicContact CD1-CE2 4.14Å; Y152-F503 AromaticContact CD1-CG 3.87Å; Y152-F503 HydrophobicContact CD1-CG 3.87Å; Y152-F503 AromaticContact CD1-CZ 3.9Å; Y152-F503 HydrophobicContact CD1-CZ 3.9Å; Y152-F503 AromaticContact CD2-CD2 3.75Å; Y152-F503 HydrophobicContact CD2-CD2 3.75Å; Y152-F503 AromaticContact CD2-CE2 3.98Å; Y152-F503 HydrophobicContact CD2-CE2 3.98Å; Y152-F503 HydrophobicContact CD2-CG 4.12Å; Y152-F503 HydrophobicContact CE1-CB 4.1Å; Y152-F503 AromaticContact CE1-CD1 3.62Å; Y152-F503 HydrophobicContact CE1-CD1 3.62Å; Y152-F503 HydrophobicContact CE1-CD2 4.32Å; Y152-F503 HydrophobicContact CE1-CE1 4.13Å; Y152-F503 AromaticContact CE1-CG 3.73Å; Y152-F503 HydrophobicContact CE1-CG 3.73Å; Y152-F503 HydrophobicContact CE2-CB 4.16Å; Y152-F503 AromaticContact CE2-CD2 3.98Å; Y152-F503 HydrophobicContact CE2-CD2 3.98Å; Y152-F503 HydrophobicContact CE2-CG 4.01Å; Y152-F503 HydrophobicContact CG-CD1 4.15Å; Y152-F503 AromaticContact CG-CD2 3.84Å; Y152-F503 HydrophobicContact CG-CD2 3.84Å; Y152-F503 HydrophobicContact CG-CE1 4.03Å; Y152-F503 AromaticContact CG-CE2 3.71Å; Y152-F503 HydrophobicContact CG-CE2 3.71Å; Y152-F503 HydrophobicContact CG-CG 4.07Å; Y152-F503 AromaticContact CG-CZ 3.81Å; Y152-F503 HydrophobicContact CG-CZ 3.81Å; Y152-F503 AromaticContact CZ-CG 3.81Å
153	P	91.7	Very high	93.1	Very high	99 Å²	99	56.2 Å²	56.2	64%	0.643	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-56.2	-31.7	-176.7	-26.8	35	0	0	0	113.9	L155 Y156	P153-L155 PolarHBondContact O-N 3.19Å; P153-Y156 HydrophobicContact CB-CD2 4.5Å; P153-Y156 WeakPolarHBondContact O-CB 3.42Å; P153-Y156 PolarHBondContact O-N 3.48Å
154	E	89.8	Confident	93.1	Very high	77 Å²	77	56.2 Å²	56.2	36%	0.36	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-54	-39.8	175.9	-65.9	171.4	-137.3	0	0	111.6	Y152 Y156 L157 E160 R506	Y152-E154 PolarHBondContact O-N 2.94Å; Y152-E154 VanDerWaalsContact O-N 3.15Å; E154-Y156 PolarHBondContact O-N 3.47Å; E154-Y156 VanDerWaalsContact O-N 3.07Å; E154-L157 PolarHBondContact O-N 3.49Å; E154-E160 WeakPolarHBondContact CA-OE2 3.44Å; E154-E160 VanDerWaalsContact CB-OE2 3.28Å; E154-E160 WeakPolarHBondContact CB-OE2 3.34Å; E154-E160 VanDerWaalsContact O-CB 3.22Å; E154-E160 WeakPolarHBondContact O-CB 3.31Å; E154-R506 IonicContact OE2-CZ 3.39Å; E154-R506 IonicContact OE2-NH1 3.7Å; E154-R506 IonicContact OE2-NH2 3.98Å; E154-R506 PolarHBondContact OE2-NH2 2.82Å
155	L	93.4	Very high	93.1	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.042	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-74.2	-1.4	-177.7	-57.8	-177.8	0	0	0	113.9	L150 Y152 P153 F164 F503	L150-L155 HydrophobicContact CB-CD1 4.39Å; L150-L155 HydrophobicContact CD1-CD1 3.56Å; Y152-L155 HydrophobicContact CD2-CD1 4Å; Y152-L155 HydrophobicContact CG-CD1 4.43Å; Y152-L155 PolarHBondContact O-N 3.08Å; P153-L155 PolarHBondContact O-N 3.19Å; L155-F164 HydrophobicContact CD1-CD1 4.45Å; L155-F164 HydrophobicContact CD2-CB 3.62Å; L155-F164 HydrophobicContact CD2-CD1 3.72Å; L155-F164 HydrophobicContact CD2-CD2 4.3Å; L155-F164 HydrophobicContact CD2-CG 3.6Å; L155-F503 HydrophobicContact CD1-CD2 4.38Å; L155-F503 HydrophobicContact CD1-CE2 3.9Å; L155-F503 HydrophobicContact CD2-CE2 4.13Å; L155-F503 HydrophobicContact CG-CE2 3.97Å
156	Y	93.4	Very high	93.1	Very high	72 Å²	72	55.8 Å²	55.8	28%	0.282	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-85.3	-10.9	173.8	-60.8	-32.9	0	0	0	113.7	Y149 L150 P153 E154 A212 Y214	Y149-Y156 HydrophobicContact CD1-CE1 4.27Å; L150-Y156 PolarHBondContact O-OH 2.82Å; P153-Y156 HydrophobicContact CB-CD2 4.5Å; P153-Y156 WeakPolarHBondContact O-CB 3.42Å; P153-Y156 PolarHBondContact O-N 3.48Å; E154-Y156 PolarHBondContact O-N 3.47Å; E154-Y156 VanDerWaalsContact O-N 3.07Å; Y156-A212 HydrophobicContact CD1-CB 4.3Å; Y156-Y214 WeakPolarHBondContact O-CE2 3.38Å; Y156-Y214 PolarHBondContact O-OH 3.38Å
157	L	95.1	Very high	93.2	Very high	74 Å²	74	55.7 Å²	55.7	39%	0.387	26%	0.262	S	S	.	.	S	Bend	trans	-95.1	132.8	171.1	-63.5	175.7	0	0	0	109.4	E154 H159 E160 A161	E154-L157 PolarHBondContact O-N 3.49Å; L157-H159 VanDerWaalsContact C-N 3.28Å; L157-H159 PolarHBondContact O-N 3.31Å; L157-E160 HydrophobicContact CB-CB 4.32Å; L157-E160 HydrophobicContact CB-CG 4.33Å; L157-E160 PolarHBondContact O-N 2.69Å; L157-A161 WeakPolarHBondContact O-CB 3.41Å; L157-A161 PolarHBondContact O-N 2.78Å
158	W	94.7	Very high	93.5	Very high	63 Å²	63	50.8 Å²	50.8	24%	0.239	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-38.3	-174.5	72.5	-96.5	0	0	0	113.1	A162 L209 Y214 F334 I336 A343	W158-A162 WeakPolarHBondContact O-CB 3.34Å; W158-A162 PolarHBondContact O-N 3.34Å; W158-L209 HydrophobicContact CB-CD2 3.7Å; W158-Y214 HydrophobicContact CB-CD1 4.49Å; W158-Y214 HydrophobicContact CB-CD2 4.47Å; W158-Y214 HydrophobicContact CB-CE1 4.02Å; W158-Y214 HydrophobicContact CB-CE2 3.98Å; W158-Y214 HydrophobicContact CG-CE1 4.4Å; W158-Y214 PolarHBondContact N-OH 3.16Å; W158-F334 AromaticContact CD2-CE2 3.96Å; W158-F334 HydrophobicContact CD2-CE2 3.96Å; W158-F334 AromaticContact CD2-CZ 3.73Å; W158-F334 HydrophobicContact CD2-CZ 3.73Å; W158-F334 AromaticContact CE2-CZ 3.76Å; W158-F334 AromaticContact CE3-CE2 3.83Å; W158-F334 HydrophobicContact CE3-CE2 3.83Å; W158-F334 HydrophobicContact CE3-CZ 4.09Å; W158-F334 HydrophobicContact CG-CZ 4.14Å; W158-F334 HydrophobicContact CH2-CE2 4.07Å; W158-F334 HydrophobicContact CZ2-CE2 4.13Å; W158-F334 HydrophobicContact CZ2-CZ 4.19Å; W158-F334 AromaticContact CZ3-CE2 3.9Å; W158-F334 HydrophobicContact CZ3-CE2 3.9Å; W158-F334 HydrophobicContact CZ3-CZ 4.49Å; W158-I336 HydrophobicContact CE3-CD1 3.71Å; W158-I336 HydrophobicContact CE3-CG1 4.08Å; W158-I336 HydrophobicContact CZ3-CD1 4.38Å; W158-I336 HydrophobicContact CZ3-CG1 4.26Å; W158-A343 HydrophobicContact CH2-CB 3.43Å; W158-A343 VanDerWaalsContact CH2-CB 3.43Å; W158-A343 HydrophobicContact CZ2-CB 4.32Å; W158-A343 HydrophobicContact CZ3-CB 3.84Å
159	H	95.1	Very high	93.8	Very high	87 Å²	87	49.7 Å²	49.7	40%	0.403	23%	0.234	S	C	.	.	H	α-helix	trans	-75	-37.5	-175.6	60.9	-85.8	0	0	0	111.9	L157 K163	L157-H159 VanDerWaalsContact C-N 3.28Å; L157-H159 PolarHBondContact O-N 3.31Å; H159-K163 VanDerWaalsContact O-CB 3.25Å; H159-K163 WeakPolarHBondContact O-CB 3.25Å; H159-K163 PolarHBondContact O-N 3.15Å
160	E	94.7	Very high	94	Very high	69 Å²	69	44.6 Å²	44.6	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-71.3	-39	174.6	-66.1	-171.4	157.2	0	0	111.3	E154 L157 F164	E154-E160 WeakPolarHBondContact CA-OE2 3.44Å; E154-E160 VanDerWaalsContact CB-OE2 3.28Å; E154-E160 WeakPolarHBondContact CB-OE2 3.34Å; E154-E160 VanDerWaalsContact O-CB 3.22Å; E154-E160 WeakPolarHBondContact O-CB 3.31Å; L157-E160 HydrophobicContact CB-CB 4.32Å; L157-E160 HydrophobicContact CB-CG 4.33Å; L157-E160 PolarHBondContact O-N 2.69Å; E160-F164 WeakPolarHBondContact O-CB 3.21Å; E160-F164 PolarHBondContact O-N 3.15Å
161	A	95.9	Very high	94.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-44.2	172.7	0	0	0	0	0	112.1	L157 F164 V165 L205 L209	L157-A161 WeakPolarHBondContact O-CB 3.41Å; L157-A161 PolarHBondContact O-N 2.78Å; A161-F164 PolarHBondContact O-N 3.47Å; A161-V165 WeakPolarHBondContact O-CG2 3.24Å; A161-V165 PolarHBondContact O-N 3.44Å; A161-L205 HydrophobicContact CB-CD1 4.05Å; A161-L209 HydrophobicContact CB-CD2 4.32Å
162	A	97	Very high	94.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-47.1	177.5	0	0	0	0	0	111.7	W158 F164 V165 A166 L205 I336 G341	W158-A162 WeakPolarHBondContact O-CB 3.34Å; W158-A162 PolarHBondContact O-N 3.34Å; A162-F164 VanDerWaalsContact C-N 3.34Å; A162-F164 PolarHBondContact O-N 3.04Å; A162-V165 PolarHBondContact O-N 3.49Å; A162-A166 VanDerWaalsContact O-CB 3.31Å; A162-A166 WeakPolarHBondContact O-CB 3.36Å; A162-A166 PolarHBondContact O-N 2.92Å; A162-L205 HydrophobicContact CB-CD1 4.31Å; A162-L205 HydrophobicContact CB-CD2 3.91Å; A162-I336 HydrophobicContact CB-CG2 3.79Å; A162-G341 WeakPolarHBondContact CB-O 3.31Å
163	K	95	Very high	94.4	Very high	124 Å²	124	37.8 Å²	37.8	54%	0.539	18%	0.183	S	C	.	.	H	α-helix	trans	-60	-43.6	174.5	-176.3	177.7	-179.8	179.4	0	111.7	H159 A166 D167	H159-K163 VanDerWaalsContact O-CB 3.25Å; H159-K163 WeakPolarHBondContact O-CB 3.25Å; H159-K163 PolarHBondContact O-N 3.15Å; K163-A166 PolarHBondContact O-N 3.28Å; K163-D167 WeakPolarHBondContact O-CB 3.41Å; K163-D167 PolarHBondContact O-N 2.88Å
164	F	95.3	Very high	94.4	Very high	3 Å²	3	33.9 Å²	33.9	1%	0.013	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-51.3	177.4	173.5	-97.8	0	0	0	111.4	L155 E160 A161 A162 A166 D167 F168 I498 F503	L155-F164 HydrophobicContact CD1-CD1 4.45Å; L155-F164 HydrophobicContact CD2-CB 3.62Å; L155-F164 HydrophobicContact CD2-CD1 3.72Å; L155-F164 HydrophobicContact CD2-CD2 4.3Å; L155-F164 HydrophobicContact CD2-CG 3.6Å; E160-F164 WeakPolarHBondContact O-CB 3.21Å; E160-F164 PolarHBondContact O-N 3.15Å; A161-F164 PolarHBondContact O-N 3.47Å; A162-F164 VanDerWaalsContact C-N 3.34Å; A162-F164 PolarHBondContact O-N 3.04Å; F164-A166 VanDerWaalsContact C-N 3.32Å; F164-A166 PolarHBondContact O-N 2.8Å; F164-D167 PolarHBondContact O-N 3.27Å; F164-F168 HydrophobicContact CD1-CB 4.4Å; F164-F168 HydrophobicContact CE1-CB 4.08Å; F164-F168 HydrophobicContact CE1-CD1 4.35Å; F164-F168 HydrophobicContact CE1-CD2 4.29Å; F164-F168 AromaticContact CE1-CG 3.99Å; F164-F168 HydrophobicContact CE1-CG 3.99Å; F164-F168 HydrophobicContact CE2-CB 4.24Å; F164-F168 AromaticContact CE2-CD2 3.95Å; F164-F168 HydrophobicContact CE2-CD2 3.95Å; F164-F168 HydrophobicContact CE2-CG 4.28Å; F164-F168 HydrophobicContact CZ-CB 3.99Å; F164-F168 HydrophobicContact CZ-CD1 4.36Å; F164-F168 AromaticContact CZ-CD2 3.54Å; F164-F168 HydrophobicContact CZ-CD2 3.54Å; F164-F168 HydrophobicContact CZ-CE2 4.08Å; F164-F168 AromaticContact CZ-CG 3.7Å; F164-F168 HydrophobicContact CZ-CG 3.7Å; F164-F168 WeakPolarHBondContact O-CA 3.31Å; F164-F168 WeakPolarHBondContact O-CB 3.39Å; F164-F168 PolarHBondContact O-N 3.25Å; F164-I498 HydrophobicContact CE1-CD1 3.64Å; F164-I498 HydrophobicContact CZ-CD1 3.85Å; F164-I498 HydrophobicContact CZ-CG2 4.39Å; F164-F503 HydrophobicContact CD2-CD2 4.21Å; F164-F503 HydrophobicContact CD2-CE2 4.06Å; F164-F503 AromaticContact CE2-CD2 3.57Å; F164-F503 HydrophobicContact CE2-CD2 3.57Å; F164-F503 AromaticContact CE2-CE2 3.9Å; F164-F503 HydrophobicContact CE2-CE2 3.9Å; F164-F503 HydrophobicContact CE2-CG 4.47Å; F164-F503 AromaticContact CZ-CD2 3.91Å; F164-F503 HydrophobicContact CZ-CD2 3.91Å; F164-F503 HydrophobicContact CZ-CE2 4.44Å
165	V	96.4	Very high	94.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.5	-41.7	179.4	173.7	0	0	0	0	111.2	A161 A162 D167 F168 L169 Y201 L204 L205 L208	A161-V165 WeakPolarHBondContact O-CG2 3.24Å; A161-V165 PolarHBondContact O-N 3.44Å; A162-V165 PolarHBondContact O-N 3.49Å; V165-D167 VanDerWaalsContact C-N 3.33Å; V165-D167 PolarHBondContact O-N 2.97Å; V165-F168 PolarHBondContact O-N 3.48Å; V165-L169 HydrophobicContact CG1-CD1 3.98Å; V165-L169 PolarHBondContact O-N 2.74Å; V165-Y201 HydrophobicContact CG1-CD1 4.03Å; V165-L204 HydrophobicContact CG1-CD2 4.28Å; V165-L204 HydrophobicContact CG2-CD2 4.27Å; V165-L204 HydrophobicContact CG2-CG 4.25Å; V165-L205 HydrophobicContact CB-CB 4.33Å; V165-L205 HydrophobicContact CB-CD1 4.49Å; V165-L205 HydrophobicContact CG1-CB 4.23Å; V165-L205 HydrophobicContact CG2-CB 4.1Å; V165-L205 HydrophobicContact CG2-CD1 4.06Å; V165-L208 HydrophobicContact CG2-CD1 3.81Å
166	A	95.5	Very high	94.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.6	-47.7	175.6	0	0	0	0	0	111	A162 K163 F164 L339 K512	A162-A166 VanDerWaalsContact O-CB 3.31Å; A162-A166 WeakPolarHBondContact O-CB 3.36Å; A162-A166 PolarHBondContact O-N 2.92Å; K163-A166 PolarHBondContact O-N 3.28Å; F164-A166 VanDerWaalsContact C-N 3.32Å; F164-A166 PolarHBondContact O-N 2.8Å; A166-L339 WeakPolarHBondContact CB-O 3.46Å; A166-K512 PolarHBondContact O-NZ 3.42Å
167	D	94.6	Very high	93.8	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.032	15%	0.154	C	C	.	.	H	α-helix	trans	-75.3	-35.6	-179	-76	-19.3	0	0	0	113.9	K163 F164 V165 R506 Y507 P508 R514	K163-D167 WeakPolarHBondContact O-CB 3.41Å; K163-D167 PolarHBondContact O-N 2.88Å; F164-D167 PolarHBondContact O-N 3.27Å; V165-D167 VanDerWaalsContact C-N 3.33Å; V165-D167 PolarHBondContact O-N 2.97Å; D167-R506 CarbonylContact C-O 3.54Å; D167-R506 VanDerWaalsContact C-O 3.28Å; D167-Y507 HydrophobicContact CB-CD1 3.78Å; D167-Y507 HydrophobicContact CB-CE1 3.51Å; D167-Y507 VanDerWaalsContact CG-CE1 3.45Å; D167-P508 WeakPolarHBondContact O-CD 3.43Å; D167-R514 IonicContact OD1-CZ 3.92Å; D167-R514 IonicContact OD1-NH2 3.89Å; D167-R514 PolarHBondContact OD1-NH2 3.29Å
168	F	95.5	Very high	93.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-73.7	-26.5	-173	-177	-102.6	0	0	0	114.1	F164 V165 V191 Q194 I498 L502 R506 P508	F164-F168 HydrophobicContact CD1-CB 4.4Å; F164-F168 HydrophobicContact CE1-CB 4.08Å; F164-F168 HydrophobicContact CE1-CD1 4.35Å; F164-F168 HydrophobicContact CE1-CD2 4.29Å; F164-F168 AromaticContact CE1-CG 3.99Å; F164-F168 HydrophobicContact CE1-CG 3.99Å; F164-F168 HydrophobicContact CE2-CB 4.24Å; F164-F168 AromaticContact CE2-CD2 3.95Å; F164-F168 HydrophobicContact CE2-CD2 3.95Å; F164-F168 HydrophobicContact CE2-CG 4.28Å; F164-F168 HydrophobicContact CZ-CB 3.99Å; F164-F168 HydrophobicContact CZ-CD1 4.36Å; F164-F168 AromaticContact CZ-CD2 3.54Å; F164-F168 HydrophobicContact CZ-CD2 3.54Å; F164-F168 HydrophobicContact CZ-CE2 4.08Å; F164-F168 AromaticContact CZ-CG 3.7Å; F164-F168 HydrophobicContact CZ-CG 3.7Å; F164-F168 WeakPolarHBondContact O-CA 3.31Å; F164-F168 WeakPolarHBondContact O-CB 3.39Å; F164-F168 PolarHBondContact O-N 3.25Å; V165-F168 PolarHBondContact O-N 3.48Å; F168-V191 HydrophobicContact CE1-CB 4.36Å; F168-V191 HydrophobicContact CE1-CG1 4.11Å; F168-V191 HydrophobicContact CE1-CG2 4.29Å; F168-V191 HydrophobicContact CZ-CG1 4.15Å; F168-Q194 HydrophobicContact CE1-CG 4.02Å; F168-Q194 HydrophobicContact CE2-CG 4.39Å; F168-Q194 HydrophobicContact CZ-CG 3.83Å; F168-I498 HydrophobicContact CE2-CG2 4.49Å; F168-L502 HydrophobicContact CE2-CB 4.09Å; F168-L502 HydrophobicContact CZ-CB 4.46Å; F168-R506 WeakPolarHBondContact CA-O 3.34Å; F168-R506 PolarHBondContact N-O 3.34Å; F168-P508 WeakPolarHBondContact O-CD 3.42Å; F168-P508 WeakPolarHBondContact O-CG 3.24Å
169	L	95.6	Very high	93.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-105.8	147.4	179.9	-60.3	-177.5	0	0	0	111.2	V165 T190 Q194 Y201 L204 K512	V165-L169 HydrophobicContact CG1-CD1 3.98Å; V165-L169 PolarHBondContact O-N 2.74Å; L169-T190 HydrophobicContact CD1-CG2 3.7Å; L169-T190 HydrophobicContact CD2-CG2 3.91Å; L169-T190 HydrophobicContact CG-CG2 4.49Å; L169-Q194 WeakPolarHBondContact CA-O 3.26Å; L169-Y201 HydrophobicContact CB-CD1 4.42Å; L169-Y201 HydrophobicContact CB-CD2 4.31Å; L169-Y201 HydrophobicContact CB-CE1 3.72Å; L169-Y201 HydrophobicContact CB-CE2 3.6Å; L169-Y201 VanDerWaalsContact CB-OH 3.3Å; L169-Y201 WeakPolarHBondContact CB-OH 3.47Å; L169-Y201 HydrophobicContact CD1-CD1 4.08Å; L169-Y201 HydrophobicContact CD1-CD2 3.72Å; L169-Y201 HydrophobicContact CD1-CE1 4.22Å; L169-Y201 HydrophobicContact CD1-CE2 3.88Å; L169-Y201 HydrophobicContact CD1-CG 3.87Å; L169-Y201 HydrophobicContact CG-CE1 4.49Å; L169-Y201 HydrophobicContact CG-CE2 4.41Å; L169-Y201 PolarHBondContact O-OH 3.23Å; L169-L204 HydrophobicContact CD1-CD2 4.03Å; L169-L204 HydrophobicContact CD2-CD2 4.45Å; L169-L204 HydrophobicContact CG-CD2 4.46Å; L169-K512 PolarHBondContact O-NZ 3.37Å
170	N	94.1	Very high	93.4	Very high	48 Å²	48	30.1 Å²	30.1	26%	0.257	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.3	162.3	-76.8	-21	0	0	0	110.7	Q194 K195 G196 P508	N170-Q194 PolarHBondContact N-O 3.29Å; N170-K195 HydrophobicContact CB-CB 4.47Å; N170-K195 HydrophobicContact CB-CG 4.22Å; N170-K195 VanDerWaalsContact O-CA 3.23Å; N170-K195 WeakPolarHBondContact O-CA 3.35Å; N170-G196 PolarHBondContact O-N 2.95Å; N170-P508 HydrophobicContact CB-CG 4.43Å; N170-P508 WeakPolarHBondContact ND2-CB 3.38Å
171	F	93.9	Very high	93.4	Very high	47 Å²	47	27.9 Å²	27.9	21%	0.206	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.1	-178.1	169.5	-116.1	0	0	0	111.4	P173 Y201 C228 M230 L339	F171-P173 HydrophobicContact CE1-CB 4.08Å; F171-P173 HydrophobicContact CZ-CB 3.9Å; F171-Y201 PolarHBondContact N-OH 2.86Å; F171-Y201 VanDerWaalsContact N-OH 3.09Å; F171-C228 WeakPolarHBondContact CZ-O 3.48Å; F171-M230 HydrophobicContact CB-SD 4.33Å; F171-M230 HydrophobicContact CD1-CB 4.24Å; F171-L339 HydrophobicContact CD2-CD1 3.76Å; F171-L339 HydrophobicContact CD2-CD2 3.59Å; F171-L339 HydrophobicContact CD2-CG 4.34Å; F171-L339 HydrophobicContact CE2-CD1 3.64Å; F171-L339 HydrophobicContact CE2-CD2 4.14Å; F171-L339 HydrophobicContact CG-CD1 4.46Å; F171-L339 HydrophobicContact CG-CD2 4.42Å; F171-L339 HydrophobicContact CZ-CD1 4.26Å
172	V	93.7	Very high	93.3	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.024	18%	0.182	C	C	.	.			trans	-120.4	122.8	170.8	171.8	0	0	0	0	108.6	D81 L83 K195 G196 T197	D81-V172 HydrophobicContact CB-CG2 4.18Å; D81-V172 WeakPolarHBondContact O-CG1 3.48Å; L83-V172 HydrophobicContact CD2-CG2 4.23Å; L83-V172 HydrophobicContact CG-CB 4.41Å; L83-V172 HydrophobicContact CG-CG1 4.12Å; L83-V172 HydrophobicContact CG-CG2 4.45Å; V172-K195 HydrophobicContact CG2-CB 4.2Å; V172-G196 PolarHBondContact N-O 3.36Å; V172-T197 HydrophobicContact CB-CG2 4.46Å; V172-T197 HydrophobicContact CG1-CG2 4.31Å; V172-T197 VanDerWaalsContact O-CA 3.3Å; V172-T197 WeakPolarHBondContact O-CA 3.28Å
173	P	92	Very high	93.2	Very high	13 Å²	13	38.7 Å²	38.7	8%	0.084	19%	0.191	C	C	.	.			trans	-71.7	152.2	-180	29.5	-34.7	0	0	0	112.2	L76 Y80 F171 V175 Y229	L76-P173 HydrophobicContact CD2-CB 3.71Å; L76-P173 HydrophobicContact CD2-CG 3.64Å; Y80-P173 HydrophobicContact CD2-CG 3.73Å; Y80-P173 HydrophobicContact CE2-CG 4.49Å; Y80-P173 HydrophobicContact CG-CG 4.04Å; F171-P173 HydrophobicContact CE1-CB 4.08Å; F171-P173 HydrophobicContact CZ-CB 3.9Å; P173-V175 HydrophobicContact CG-CG2 4.49Å; P173-Y229 HydrophobicContact CB-CD1 4.02Å; P173-Y229 HydrophobicContact CB-CE1 4.01Å
174	L	91.5	Very high	93.3	Very high	17 Å²	17	32.9 Å²	32.9	9%	0.089	17%	0.166	C	C	.	.			trans	-73.2	129.1	167.9	-66	174.4	0	0	0	110	P176 S177 P181 T197 F199 I317	L174-P176 CarbonylContact C-O 3.59Å; L174-P176 CarbonylContact O-C 3.52Å; L174-S177 WeakPolarHBondContact O-CA 3.28Å; L174-S177 PolarHBondContact O-N 3.33Å; L174-P181 HydrophobicContact CD2-CB 4.09Å; L174-P181 HydrophobicContact CD2-CG 4.3Å; L174-T197 HydrophobicContact CD2-CG2 3.7Å; L174-T197 HydrophobicContact CG-CG2 4.5Å; L174-F199 HydrophobicContact CD1-CD2 4.11Å; L174-F199 HydrophobicContact CD1-CE2 3.82Å; L174-I317 HydrophobicContact CD1-CG2 4.47Å
175	V	87.6	Confident	93.3	Very high	65 Å²	65	33 Å²	33	39%	0.394	17%	0.167	S	C	.	.	S	Bend	trans	-135.7	107.5	178	-174.8	0	0	0	0	108.2	L76 Y80 P173	L76-V175 HydrophobicContact CD1-CG2 3.89Å; Y80-V175 HydrophobicContact CE2-CG2 3.75Å; P173-V175 HydrophobicContact CG-CG2 4.49Å
176	P	88.6	Confident	93.3	Very high	34 Å²	34	33 Å²	33	22%	0.221	17%	0.167	C	C	.	.	S	Bend	cis	-59.2	149.1	-4.7	-20.1	31.5	0	0	0	113.1	E70 L174 T178 E179	E70-P176 WeakPolarHBondContact OE1-CA 3.18Å; E70-P176 WeakPolarHBondContact OE1-CB 3.37Å; E70-P176 WeakPolarHBondContact OE2-CG 3.49Å; L174-P176 CarbonylContact C-O 3.59Å; L174-P176 CarbonylContact O-C 3.52Å; P176-T178 PolarHBondContact O-N 2.72Å; P176-E179 HydrophobicContact CB-CB 4.17Å; P176-E179 HydrophobicContact CB-CG 4.07Å; P176-E179 HydrophobicContact CG-CB 4.23Å; P176-E179 HydrophobicContact CG-CG 4.03Å
177	S	89.2	Confident	93.3	Very high	3 Å²	3	33 Å²	33	2%	0.021	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-8.5	173	61.6	0	0	0	0	113.6	L174 Y229 R316 I317	L174-S177 WeakPolarHBondContact O-CA 3.28Å; L174-S177 PolarHBondContact O-N 3.33Å; S177-Y229 PolarHBondContact OG-OH 3.19Å; S177-R316 WeakPolarHBondContact O-CA 3.31Å; S177-R316 PolarHBondContact OG-NH1 3.4Å; S177-I317 PolarHBondContact O-N 3.32Å
178	T	90.7	Very high	93.4	Very high	51 Å²	51	33.8 Å²	33.8	31%	0.313	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-1.6	-178.4	55.9	0	0	0	0	113	P176 L312 L315 I317	P176-T178 PolarHBondContact O-N 2.72Å; T178-L312 HydrophobicContact CG2-CD1 4.1Å; T178-L312 HydrophobicContact CG2-CD2 4.28Å; T178-L315 HydrophobicContact CG2-CB 4.08Å; T178-I317 VanDerWaalsContact O-CD1 3.28Å; T178-I317 WeakPolarHBondContact O-CD1 3.36Å
179	E	91.8	Very high	93.4	Very high	105 Å²	105	34.1 Å²	34.1	49%	0.491	17%	0.173	S	C	.	.	S	Bend	trans	-117.3	141.7	-179.7	-66.9	-169.5	-177.9	0	0	111.2	P176	P176-E179 HydrophobicContact CB-CB 4.17Å; P176-E179 HydrophobicContact CB-CG 4.07Å; P176-E179 HydrophobicContact CG-CB 4.23Å; P176-E179 HydrophobicContact CG-CG 4.03Å
180	L	94	Very high	93.4	Very high	43 Å²	43	34.1 Å²	34.1	23%	0.225	17%	0.173	C	C	.	.			trans	-63	142.5	172.9	-75.1	167.2	0	0	0	110.1	K126 F128 K182 F199 I317	K126-L180 WeakPolarHBondContact O-CD1 3.49Å; F128-L180 HydrophobicContact CB-CD1 3.71Å; F128-L180 HydrophobicContact CB-CD2 3.78Å; F128-L180 HydrophobicContact CB-CG 4.33Å; F128-L180 HydrophobicContact CD2-CB 4.06Å; F128-L180 HydrophobicContact CD2-CD1 4.17Å; F128-L180 HydrophobicContact CD2-CD2 4.02Å; F128-L180 HydrophobicContact CD2-CG 4.32Å; F128-L180 HydrophobicContact CG-CD1 4.36Å; F128-L180 HydrophobicContact CG-CD2 3.96Å; L180-K182 PolarHBondContact O-N 3.5Å; L180-F199 HydrophobicContact CD2-CE1 4.26Å; L180-F199 HydrophobicContact CD2-CE2 4.39Å; L180-F199 HydrophobicContact CD2-CZ 3.63Å; L180-I317 HydrophobicContact CD2-CD1 4.27Å; L180-I317 HydrophobicContact CD2-CG2 3.8Å; L180-I317 HydrophobicContact CG-CD1 3.98Å
181	P	94	Very high	93.4	Very high	23 Å²	23	31.9 Å²	31.9	15%	0.149	16%	0.161	C	C	.	.			trans	-62	138.7	177.5	27	-34	0	0	0	110.4	F128 L174 R183 F199	F128-P181 HydrophobicContact CE2-CG 3.95Å; F128-P181 VanDerWaalsContact CE2-O 3.25Å; F128-P181 WeakPolarHBondContact CE2-O 3.37Å; F128-P181 HydrophobicContact CZ-CG 3.89Å; L174-P181 HydrophobicContact CD2-CB 4.09Å; L174-P181 HydrophobicContact CD2-CG 4.3Å; P181-R183 VanDerWaalsContact C-N 3.26Å; P181-R183 PolarHBondContact O-N 3.05Å; P181-F199 HydrophobicContact CG-CB 4.48Å; P181-F199 HydrophobicContact CG-CD2 3.65Å; P181-F199 HydrophobicContact CG-CE2 3.99Å; P181-F199 HydrophobicContact CG-CG 4.02Å
182	K	93.5	Very high	93.4	Very high	176 Å²	176	34.8 Å²	34.8	77%	0.765	18%	0.178	S	C	*	.	S	Bend	trans	-73.2	-24.5	178.1	-67	177.8	-177	169.6	0	112.6	T132 L180	T132-K182 PolarHBondContact N-O 3.12Å; T132-K182 PolarHBondContact OG1-O 2.86Å; L180-K182 PolarHBondContact O-N 3.5Å
183	R	95.3	Very high	93.4	Very high	50 Å²	50	37.3 Å²	37.3	19%	0.189	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-123.6	140.5	-176.7	-173.2	-177.8	-68.4	156.3	-0.5	109.4	P84 E85 T132 N133 D136 P181 L185	P84-R183 PolarHBondContact O-NH1 3.32Å; E85-R183 PolarHBondContact O-NH1 2.91Å; E85-R183 PolarHBondContact O-NH2 3.49Å; T132-R183 CarbonylContact O-C 3.54Å; T132-R183 WeakPolarHBondContact O-CA 3.3Å; T132-R183 WeakPolarHBondContact O-CG 3.42Å; N133-R183 WeakPolarHBondContact O-CD 3.41Å; N133-R183 WeakPolarHBondContact O-CG 3.35Å; N133-R183 PolarHBondContact O-NE 3.29Å; D136-R183 IonicContact OD1-CZ 3.65Å; D136-R183 IonicContact OD1-NE 3.86Å; D136-R183 IonicContact OD1-NH2 3.56Å; D136-R183 PolarHBondContact OD1-NH2 2.95Å; D136-R183 IonicContact OD2-NH2 2.89Å; P181-R183 VanDerWaalsContact C-N 3.26Å; P181-R183 PolarHBondContact O-N 3.05Å; R183-L185 HydrophobicContact CG-CD2 4.22Å
184	L	96.4	Very high	93.6	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.193	C	C	.	.			trans	-120.4	121	169.6	-178	64.4	0	0	0	107.9	F128 P131 T132 V141 T144 F199	F128-L184 HydrophobicContact CE1-CD1 4.43Å; F128-L184 HydrophobicContact CE1-CD2 4.17Å; F128-L184 HydrophobicContact CZ-CB 4.1Å; F128-L184 HydrophobicContact CZ-CD1 4.43Å; F128-L184 HydrophobicContact CZ-CD2 4.41Å; P131-L184 HydrophobicContact CB-CB 3.96Å; P131-L184 HydrophobicContact CG-CB 3.68Å; P131-L184 HydrophobicContact CG-CD2 4.19Å; T132-L184 PolarHBondContact O-N 3.17Å; V141-L184 HydrophobicContact CG1-CD2 4.27Å; T144-L184 HydrophobicContact CG2-CD2 4.05Å; T144-L184 HydrophobicContact CG2-CG 4.38Å; L184-F199 HydrophobicContact CD1-CB 3.9Å
185	L	96.3	Very high	93.8	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	20%	0.204	C	C	.	.			trans	-75.1	146.8	178.4	-52.6	-177.9	0	0	0	110.8	L83 F87 E134 R183 T189 L193 E200	L83-L185 HydrophobicContact CD1-CD1 4.09Å; L83-L185 HydrophobicContact CD2-CD1 4.19Å; F87-L185 HydrophobicContact CE2-CD2 3.79Å; F87-L185 HydrophobicContact CZ-CD1 4.27Å; F87-L185 HydrophobicContact CZ-CD2 3.71Å; E134-L185 HydrophobicContact CG-CD2 3.92Å; R183-L185 HydrophobicContact CG-CD2 4.22Å; L185-T189 HydrophobicContact CB-CG2 4.44Å; L185-T189 HydrophobicContact CD1-CG2 4.34Å; L185-L193 HydrophobicContact CD1-CD1 3.77Å; L185-E200 HydrophobicContact CB-CG 3.86Å; L185-E200 HydrophobicContact CD1-CG 4.18Å; L185-E200 HydrophobicContact CG-CG 4.09Å; L185-E200 PolarHBondContact N-OE1 3.31Å
186	S	95.8	Very high	94.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.			trans	-66.7	150.9	170.9	68.1	0	0	0	0	110.7	E134 M188 T189 T190	E134-S186 VanDerWaalsContact OE1-CB 3.25Å; E134-S186 WeakPolarHBondContact OE1-CB 3.26Å; E134-S186 PolarHBondContact OE1-N 2.84Å; E134-S186 PolarHBondContact OE1-OG 3.33Å; S186-M188 PolarHBondContact O-N 2.62Å; S186-M188 VanDerWaalsContact O-N 3.11Å; S186-T189 PolarHBondContact O-N 2.95Å; S186-T189 PolarHBondContact OG-N 3.42Å; S186-T189 PolarHBondContact OG-OG1 3.1Å; S186-T189 VanDerWaalsContact OG-OG1 3.05Å; S186-T190 PolarHBondContact O-N 3.42Å; S186-T190 PolarHBondContact O-OG1 3.44Å
187	P	96.6	Very high	94.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-51.5	-38.3	178.1	-29.4	35.5	0	0	0	113.8	T144 T190 V191 T203 L204 I496	T144-P187 WeakPolarHBondContact O-CD 3.3Å; P187-T190 PolarHBondContact O-N 3.06Å; P187-V191 VanDerWaalsContact O-CG2 3.32Å; P187-V191 WeakPolarHBondContact O-CG2 3.35Å; P187-V191 PolarHBondContact O-N 3.18Å; P187-T203 HydrophobicContact CG-CG2 4.13Å; P187-L204 HydrophobicContact CB-CD1 4Å; P187-I496 HydrophobicContact CB-CD1 3.8Å; P187-I496 HydrophobicContact CB-CG1 3.77Å
188	M	95	Very high	94.9	Very high	23 Å²	23	36.2 Å²	36.2	11%	0.113	18%	0.177	C	C	.	.	H	α-helix	trans	-69.2	-39.6	180	-169.6	63.4	-158.5	0	0	112.3	S186 V191 N192 L494 Q497	S186-M188 PolarHBondContact O-N 2.62Å; S186-M188 VanDerWaalsContact O-N 3.11Å; M188-V191 PolarHBondContact O-N 3Å; M188-N192 WeakPolarHBondContact CE-OD1 3.41Å; M188-N192 VanDerWaalsContact O-CG 3.32Å; M188-N192 PolarHBondContact O-N 2.9Å; M188-N192 PolarHBondContact O-ND2 3.42Å; M188-L494 HydrophobicContact CB-CB 4.21Å; M188-L494 HydrophobicContact CG-CB 4.2Å; M188-Q497 HydrophobicContact CE-CB 4.06Å; M188-Q497 WeakPolarHBondContact CE-O 3.13Å; M188-Q497 HydrophobicContact SD-CB 4.23Å; M188-Q497 PolarHBondContact SD-N 3.2Å; M188-Q497 VanDerWaalsContact SD-N 3.36Å
189	T	95.3	Very high	95.2	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.049	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-43	174.2	-59.2	0	0	0	0	111.3	F87 E134 L185 S186 V191 N192 L193	F87-T189 HydrophobicContact CD1-CG2 4.41Å; F87-T189 HydrophobicContact CE1-CG2 3.64Å; F87-T189 HydrophobicContact CZ-CG2 4.08Å; E134-T189 HydrophobicContact CG-CG2 3.89Å; E134-T189 WeakPolarHBondContact OE1-CB 3.33Å; E134-T189 PolarHBondContact OE1-OG1 3.06Å; L185-T189 HydrophobicContact CB-CG2 4.44Å; L185-T189 HydrophobicContact CD1-CG2 4.34Å; S186-T189 PolarHBondContact O-N 2.95Å; S186-T189 PolarHBondContact OG-N 3.42Å; S186-T189 PolarHBondContact OG-OG1 3.1Å; S186-T189 VanDerWaalsContact OG-OG1 3.05Å; T189-V191 VanDerWaalsContact C-N 3.26Å; T189-V191 PolarHBondContact O-N 3.45Å; T189-N192 PolarHBondContact O-N 3.39Å; T189-N192 VanDerWaalsContact O-N 3.14Å; T189-L193 HydrophobicContact CG2-CD1 4.06Å; T189-L193 HydrophobicContact CG2-CG 4.31Å; T189-L193 WeakPolarHBondContact O-CG 3.07Å; T189-L193 PolarHBondContact O-N 3.27Å
190	T	96.1	Very high	95.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57	-43	175	-56.9	0	0	0	0	111	L169 S186 P187 L193 Q194 E200 L204	L169-T190 HydrophobicContact CD1-CG2 3.7Å; L169-T190 HydrophobicContact CD2-CG2 3.91Å; L169-T190 HydrophobicContact CG-CG2 4.49Å; S186-T190 PolarHBondContact O-N 3.42Å; S186-T190 PolarHBondContact O-OG1 3.44Å; P187-T190 PolarHBondContact O-N 3.06Å; T190-L193 PolarHBondContact O-N 2.94Å; T190-Q194 PolarHBondContact O-N 3.33Å; T190-E200 HydrophobicContact CG2-CB 3.86Å; T190-E200 HydrophobicContact CG2-CG 4.37Å; T190-E200 WeakPolarHBondContact OG1-CG 3.47Å; T190-L204 HydrophobicContact CG2-CD2 4.35Å
191	V	95.3	Very high	95.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-43.8	175.7	167	0	0	0	0	112.1	F168 P187 M188 T189 Q194 L204 I496 I498	F168-V191 HydrophobicContact CE1-CB 4.36Å; F168-V191 HydrophobicContact CE1-CG1 4.11Å; F168-V191 HydrophobicContact CE1-CG2 4.29Å; F168-V191 HydrophobicContact CZ-CG1 4.15Å; P187-V191 VanDerWaalsContact O-CG2 3.32Å; P187-V191 WeakPolarHBondContact O-CG2 3.35Å; P187-V191 PolarHBondContact O-N 3.18Å; M188-V191 PolarHBondContact O-N 3Å; T189-V191 VanDerWaalsContact C-N 3.26Å; T189-V191 PolarHBondContact O-N 3.45Å; V191-Q194 WeakPolarHBondContact O-CG 3.46Å; V191-Q194 PolarHBondContact O-N 3.47Å; V191-L204 HydrophobicContact CG2-CD1 3.74Å; V191-L204 HydrophobicContact CG2-CD2 3.91Å; V191-I496 HydrophobicContact CG2-CG2 4.22Å; V191-I498 HydrophobicContact CG1-CG1 4.06Å; V191-I498 HydrophobicContact CG2-CG1 4.47Å
192	N	93.7	Very high	95.9	Very high	108 Å²	108	25.7 Å²	25.7	58%	0.578	12%	0.121	S	C	*	.	H	α-helix	trans	-67.2	-37.3	179.7	-71.8	-22.5	0	0	0	113.2	M188 T189	M188-N192 WeakPolarHBondContact CE-OD1 3.41Å; M188-N192 VanDerWaalsContact O-CG 3.32Å; M188-N192 PolarHBondContact O-N 2.9Å; M188-N192 PolarHBondContact O-ND2 3.42Å; T189-N192 PolarHBondContact O-N 3.39Å; T189-N192 VanDerWaalsContact O-N 3.14Å
193	L	94	Very high	96.1	Very high	56 Å²	56	17.4 Å²	17.4	29%	0.293	9%	0.085	S	C	.	.	H	α-helix	trans	-76.6	-28.9	177.8	-69	178.7	0	0	0	112.4	P84 F87 L185 T189 T190 K195	P84-L193 HydrophobicContact CG-CD1 4.16Å; P84-L193 HydrophobicContact CG-CD2 4.12Å; F87-L193 HydrophobicContact CE1-CD1 3.96Å; F87-L193 HydrophobicContact CZ-CD1 3.98Å; L185-L193 HydrophobicContact CD1-CD1 3.77Å; T189-L193 HydrophobicContact CG2-CD1 4.06Å; T189-L193 HydrophobicContact CG2-CG 4.31Å; T189-L193 WeakPolarHBondContact O-CG 3.07Å; T189-L193 PolarHBondContact O-N 3.27Å; T190-L193 PolarHBondContact O-N 2.94Å; L193-K195 WeakPolarHBondContact O-CG 3.44Å; L193-K195 PolarHBondContact O-N 2.97Å
194	Q	95.8	Very high	96.2	Very high	27 Å²	27	15 Å²	15	13%	0.126	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	31.3	-167.9	-56.9	-168.5	-83.7	0	0	113.7	F168 L169 N170 T190 V191 P508	F168-Q194 HydrophobicContact CE1-CG 4.02Å; F168-Q194 HydrophobicContact CE2-CG 4.39Å; F168-Q194 HydrophobicContact CZ-CG 3.83Å; L169-Q194 WeakPolarHBondContact CA-O 3.26Å; N170-Q194 PolarHBondContact N-O 3.29Å; T190-Q194 PolarHBondContact O-N 3.33Å; V191-Q194 WeakPolarHBondContact O-CG 3.46Å; V191-Q194 PolarHBondContact O-N 3.47Å; Q194-P508 HydrophobicContact CB-CB 4.32Å; Q194-P508 HydrophobicContact CB-CG 4.02Å
195	K	94.7	Very high	96.2	Very high	71 Å²	71	14.9 Å²	14.9	31%	0.309	8%	0.076	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	151.3	176.1	-38.8	-169.4	-179.2	-166.4	0	110.3	D81 L83 N170 V172 L193	D81-K195 IonicContact OD2-NZ 2.74Å; D81-K195 PolarHBondContact OD2-NZ 3.47Å; L83-K195 HydrophobicContact CD2-CB 4.42Å; N170-K195 HydrophobicContact CB-CB 4.47Å; N170-K195 HydrophobicContact CB-CG 4.22Å; N170-K195 VanDerWaalsContact O-CA 3.23Å; N170-K195 WeakPolarHBondContact O-CA 3.35Å; V172-K195 HydrophobicContact CG2-CB 4.2Å; L193-K195 WeakPolarHBondContact O-CG 3.44Å; L193-K195 PolarHBondContact O-N 2.97Å
196	G	95.4	Very high	96.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	160.4	-178.7	0	0	0	0	0	113.8	N170 V172 Y201	N170-G196 PolarHBondContact O-N 2.95Å; V172-G196 PolarHBondContact N-O 3.36Å; G196-Y201 WeakPolarHBondContact O-CE2 3.46Å
197	T	96.1	Very high	96.4	Very high	8 Å²	8	14.8 Å²	14.8	5%	0.049	8%	0.075	C	C	.	.			trans	-81.5	174.4	164.3	73.6	0	0	0	0	110	L83 V172 L174 F199 E200 Y201	L83-T197 HydrophobicContact CD1-CG2 3.92Å; V172-T197 HydrophobicContact CB-CG2 4.46Å; V172-T197 HydrophobicContact CG1-CG2 4.31Å; V172-T197 VanDerWaalsContact O-CA 3.3Å; V172-T197 WeakPolarHBondContact O-CA 3.28Å; L174-T197 HydrophobicContact CD2-CG2 3.7Å; L174-T197 HydrophobicContact CG-CG2 4.5Å; T197-F199 PolarHBondContact O-N 2.88Å; T197-F199 PolarHBondContact OG1-N 3.39Å; T197-E200 VanDerWaalsContact CB-OE2 3.32Å; T197-E200 WeakPolarHBondContact CB-OE2 3.31Å; T197-E200 PolarHBondContact N-OE2 2.92Å; T197-E200 PolarHBondContact O-N 2.89Å; T197-E200 PolarHBondContact OG1-OE2 2.85Å; T197-Y201 VanDerWaalsContact O-CD2 3.27Å; T197-Y201 WeakPolarHBondContact O-CD2 3.41Å; T197-Y201 PolarHBondContact O-N 2.83Å
198	C	96.9	Very high	96.4	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.02	8%	0.077	C	C	.	.	H	α-helix	trans	-52.1	-30.5	173.8	56.3	0	0	0	0	113.3	A202 H318 A319 L339	C198-A202 WeakPolarHBondContact O-CB 3.4Å; C198-A202 PolarHBondContact O-N 3.36Å; C198-H318 WeakPolarHBondContact CB-CE1 3.48Å; C198-H318 WeakPolarHBondContact CB-ND1 3.49Å; C198-H318 PolarHBondContact SG-ND1 3.4Å; C198-A319 HydrophobicContact CB-CB 4.38Å; C198-L339 HydrophobicContact CB-CD2 4.44Å
199	F	97.8	Very high	96.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-70.9	-40.9	175.6	-73.4	-88.3	0	0	0	113.2	F128 L174 L180 P181 L184 T197 T203 I317 A319 W358	F128-F199 AromaticContact CD1-CD1 3.93Å; F128-F199 HydrophobicContact CD1-CD1 3.93Å; F128-F199 AromaticContact CD1-CE1 3.72Å; F128-F199 HydrophobicContact CD1-CE1 3.72Å; F128-F199 AromaticContact CE1-CD1 3.6Å; F128-F199 HydrophobicContact CE1-CD1 3.6Å; F128-F199 AromaticContact CE1-CE1 3.86Å; F128-F199 HydrophobicContact CE1-CE1 3.86Å; F128-F199 HydrophobicContact CE1-CG 4.4Å; F128-F199 HydrophobicContact CG-CE1 4.33Å; F128-F199 HydrophobicContact CZ-CD1 4.29Å; L174-F199 HydrophobicContact CD1-CD2 4.11Å; L174-F199 HydrophobicContact CD1-CE2 3.82Å; L180-F199 HydrophobicContact CD2-CE1 4.26Å; L180-F199 HydrophobicContact CD2-CE2 4.39Å; L180-F199 HydrophobicContact CD2-CZ 3.63Å; P181-F199 HydrophobicContact CG-CB 4.48Å; P181-F199 HydrophobicContact CG-CD2 3.65Å; P181-F199 HydrophobicContact CG-CE2 3.99Å; P181-F199 HydrophobicContact CG-CG 4.02Å; L184-F199 HydrophobicContact CD1-CB 3.9Å; T197-F199 PolarHBondContact O-N 2.88Å; T197-F199 PolarHBondContact OG1-N 3.39Å; F199-T203 VanDerWaalsContact O-CB 3.25Å; F199-T203 WeakPolarHBondContact O-CB 3.34Å; F199-T203 PolarHBondContact O-N 3.24Å; F199-T203 PolarHBondContact O-OG1 3.4Å; F199-I317 HydrophobicContact CE2-CG2 3.83Å; F199-I317 HydrophobicContact CZ-CG2 3.76Å; F199-A319 HydrophobicContact CD1-CB 3.7Å; F199-A319 HydrophobicContact CD2-CB 4.15Å; F199-A319 HydrophobicContact CE1-CB 3.83Å; F199-A319 HydrophobicContact CE2-CB 4.27Å; F199-A319 HydrophobicContact CG-CB 3.87Å; F199-A319 HydrophobicContact CZ-CB 4.11Å; F199-W358 HydrophobicContact CD1-CH2 4.28Å; F199-W358 HydrophobicContact CE1-CH2 4.14Å
200	E	97.7	Very high	96.5	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.009	7%	0.074	C	C	.	.	H	α-helix	trans	-66.1	-40.8	174.7	-82.8	73.8	-139.2	0	0	111.8	L185 T190 T197 T203 L204	L185-E200 HydrophobicContact CB-CG 3.86Å; L185-E200 HydrophobicContact CD1-CG 4.18Å; L185-E200 HydrophobicContact CG-CG 4.09Å; L185-E200 PolarHBondContact N-OE1 3.31Å; T190-E200 HydrophobicContact CG2-CB 3.86Å; T190-E200 HydrophobicContact CG2-CG 4.37Å; T190-E200 WeakPolarHBondContact OG1-CG 3.47Å; T197-E200 VanDerWaalsContact CB-OE2 3.32Å; T197-E200 WeakPolarHBondContact CB-OE2 3.31Å; T197-E200 PolarHBondContact N-OE2 2.92Å; T197-E200 PolarHBondContact O-N 2.89Å; T197-E200 PolarHBondContact OG1-OE2 2.85Å; E200-T203 PolarHBondContact O-N 3.39Å; E200-L204 WeakPolarHBondContact O-CB 3.43Å; E200-L204 PolarHBondContact O-N 2.94Å
201	Y	97.9	Very high	96.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59	-52.1	174.1	-86.4	-111.8	0	0	0	110.9	V165 L169 F171 G196 T197 T203 L204 L205 T338 L339	V165-Y201 HydrophobicContact CG1-CD1 4.03Å; L169-Y201 HydrophobicContact CB-CD1 4.42Å; L169-Y201 HydrophobicContact CB-CD2 4.31Å; L169-Y201 HydrophobicContact CB-CE1 3.72Å; L169-Y201 HydrophobicContact CB-CE2 3.6Å; L169-Y201 VanDerWaalsContact CB-OH 3.3Å; L169-Y201 WeakPolarHBondContact CB-OH 3.47Å; L169-Y201 HydrophobicContact CD1-CD1 4.08Å; L169-Y201 HydrophobicContact CD1-CD2 3.72Å; L169-Y201 HydrophobicContact CD1-CE1 4.22Å; L169-Y201 HydrophobicContact CD1-CE2 3.88Å; L169-Y201 HydrophobicContact CD1-CG 3.87Å; L169-Y201 HydrophobicContact CG-CE1 4.49Å; L169-Y201 HydrophobicContact CG-CE2 4.41Å; L169-Y201 PolarHBondContact O-OH 3.23Å; F171-Y201 PolarHBondContact N-OH 2.86Å; F171-Y201 VanDerWaalsContact N-OH 3.09Å; G196-Y201 WeakPolarHBondContact O-CE2 3.46Å; T197-Y201 VanDerWaalsContact O-CD2 3.27Å; T197-Y201 WeakPolarHBondContact O-CD2 3.41Å; T197-Y201 PolarHBondContact O-N 2.83Å; Y201-T203 VanDerWaalsContact C-N 3.32Å; Y201-T203 PolarHBondContact O-N 3.42Å; Y201-L204 PolarHBondContact O-N 3.19Å; Y201-L205 WeakPolarHBondContact O-CB 3.43Å; Y201-L205 PolarHBondContact O-N 2.9Å; Y201-T338 WeakPolarHBondContact CD1-O 3.24Å; Y201-L339 HydrophobicContact CD1-CD2 3.85Å; Y201-L339 HydrophobicContact CD2-CD2 3.87Å; Y201-L339 HydrophobicContact CE1-CD2 3.99Å; Y201-L339 HydrophobicContact CE2-CD2 4Å; Y201-L339 HydrophobicContact CG-CD2 3.76Å
202	A	98.1	Very high	96.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.2	-40.1	178.4	0	0	0	0	0	112.2	C198 C206 I218 A319 I321 T338	C198-A202 WeakPolarHBondContact O-CB 3.4Å; C198-A202 PolarHBondContact O-N 3.36Å; A202-C206 WeakPolarHBondContact O-CB 3.44Å; A202-C206 PolarHBondContact O-N 3.34Å; A202-I218 HydrophobicContact CB-CD1 4.49Å; A202-I218 HydrophobicContact CB-CG1 4.22Å; A202-I218 HydrophobicContact CB-CG2 3.81Å; A202-A319 HydrophobicContact CB-CB 4.16Å; A202-I321 HydrophobicContact CB-CG1 4.44Å; A202-T338 HydrophobicContact CB-CG2 3.93Å
203	T	97.7	Very high	96.4	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.012	6%	0.064	C	C	.	.	H	α-helix	trans	-65.7	-44.3	179.5	-57.2	0	0	0	0	112.5	T144 L145 P187 F199 E200 Y201 S207	T144-T203 HydrophobicContact CG2-CG2 4.04Å; L145-T203 HydrophobicContact CD2-CG2 4.13Å; P187-T203 HydrophobicContact CG-CG2 4.13Å; F199-T203 VanDerWaalsContact O-CB 3.25Å; F199-T203 WeakPolarHBondContact O-CB 3.34Å; F199-T203 PolarHBondContact O-N 3.24Å; F199-T203 PolarHBondContact O-OG1 3.4Å; E200-T203 PolarHBondContact O-N 3.39Å; Y201-T203 VanDerWaalsContact C-N 3.32Å; Y201-T203 PolarHBondContact O-N 3.42Å; T203-S207 WeakPolarHBondContact O-CB 3.27Å; T203-S207 PolarHBondContact O-N 3.07Å; T203-S207 PolarHBondContact O-OG 2.99Å
204	L	97.5	Very high	96.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66.4	-51.5	176.2	179.9	59.7	0	0	0	111.1	V165 L169 P187 T190 V191 E200 Y201 C206 S207 L208 I496	V165-L204 HydrophobicContact CG1-CD2 4.28Å; V165-L204 HydrophobicContact CG2-CD2 4.27Å; V165-L204 HydrophobicContact CG2-CG 4.25Å; L169-L204 HydrophobicContact CD1-CD2 4.03Å; L169-L204 HydrophobicContact CD2-CD2 4.45Å; L169-L204 HydrophobicContact CG-CD2 4.46Å; P187-L204 HydrophobicContact CB-CD1 4Å; T190-L204 HydrophobicContact CG2-CD2 4.35Å; V191-L204 HydrophobicContact CG2-CD1 3.74Å; V191-L204 HydrophobicContact CG2-CD2 3.91Å; E200-L204 WeakPolarHBondContact O-CB 3.43Å; E200-L204 PolarHBondContact O-N 2.94Å; Y201-L204 PolarHBondContact O-N 3.19Å; L204-C206 PolarHBondContact O-N 3.25Å; L204-S207 WeakPolarHBondContact O-CB 3.34Å; L204-S207 PolarHBondContact O-N 2.83Å; L204-L208 WeakPolarHBondContact O-CG 3.5Å; L204-L208 PolarHBondContact O-N 3.19Å; L204-L208 VanDerWaalsContact O-N 3.12Å; L204-I496 HydrophobicContact CD1-CD1 4.07Å; L204-I496 HydrophobicContact CD1-CG2 4.39Å
205	L	97.6	Very high	96.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.7	-43.7	-176.8	178.9	57.7	0	0	0	111.9	A161 A162 V165 Y201 S207 L208 L209 I321 I336 T338	A161-L205 HydrophobicContact CB-CD1 4.05Å; A162-L205 HydrophobicContact CB-CD1 4.31Å; A162-L205 HydrophobicContact CB-CD2 3.91Å; V165-L205 HydrophobicContact CB-CB 4.33Å; V165-L205 HydrophobicContact CB-CD1 4.49Å; V165-L205 HydrophobicContact CG1-CB 4.23Å; V165-L205 HydrophobicContact CG2-CB 4.1Å; V165-L205 HydrophobicContact CG2-CD1 4.06Å; Y201-L205 WeakPolarHBondContact O-CB 3.43Å; Y201-L205 PolarHBondContact O-N 2.9Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 2.86Å; L205-L208 PolarHBondContact O-N 2.62Å; L205-L208 VanDerWaalsContact O-N 3.16Å; L205-L209 HydrophobicContact CD1-CD1 4.15Å; L205-L209 HydrophobicContact CD1-CD2 4.43Å; L205-L209 HydrophobicContact CD1-CG 4.01Å; L205-L209 HydrophobicContact CG-CD1 3.97Å; L205-L209 HydrophobicContact CG-CG 4.29Å; L205-L209 VanDerWaalsContact O-CG 3.31Å; L205-L209 WeakPolarHBondContact O-CG 3.21Å; L205-L209 PolarHBondContact O-N 2.96Å; L205-I321 HydrophobicContact CB-CD1 3.66Å; L205-I321 HydrophobicContact CD2-CD1 3.64Å; L205-I321 HydrophobicContact CG-CD1 3.46Å; L205-I321 VanDerWaalsContact CG-CD1 3.46Å; L205-I336 HydrophobicContact CD2-CG2 4.03Å; L205-T338 HydrophobicContact CD2-CG2 4.29Å
206	C	97.7	Very high	96.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.4	-39.9	176.7	-172	0	0	0	0	111.5	L145 A202 L204 L208 L209 I210 I218 I321	L145-C206 HydrophobicContact CD2-CB 4.1Å; A202-C206 WeakPolarHBondContact O-CB 3.44Å; A202-C206 PolarHBondContact O-N 3.34Å; L204-C206 PolarHBondContact O-N 3.25Å; C206-L208 VanDerWaalsContact C-N 3.33Å; C206-L208 PolarHBondContact O-N 2.56Å; C206-L209 PolarHBondContact O-N 3.38Å; C206-I210 WeakPolarHBondContact O-CB 3.1Å; C206-I210 VanDerWaalsContact O-CG1 3.23Å; C206-I210 WeakPolarHBondContact O-CG1 3.44Å; C206-I210 PolarHBondContact O-N 3.43Å; C206-I210 WeakPolarHBondContact SG-CD1 3.42Å; C206-I218 HydrophobicContact CB-CD1 3.9Å; C206-I218 HydrophobicContact CB-CG1 3.52Å; C206-I321 HydrophobicContact CB-CD1 3.95Å; C206-I321 HydrophobicContact CB-CG1 4.44Å
207	S	97.3	Very high	96.7	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.007	4%	0.042	C	C	.	.	H	α-helix	trans	-58.8	-42.5	174.5	-65	0	0	0	0	112.4	L145 S146 T203 L204 L205 A211	L145-S207 WeakPolarHBondContact CD2-OG 3.5Å; S146-S207 PolarHBondContact N-OG 3.26Å; S146-S207 VanDerWaalsContact N-OG 3.14Å; S146-S207 WeakPolarHBondContact O-CB 3.47Å; T203-S207 WeakPolarHBondContact O-CB 3.27Å; T203-S207 PolarHBondContact O-N 3.07Å; T203-S207 PolarHBondContact O-OG 2.99Å; L204-S207 WeakPolarHBondContact O-CB 3.34Å; L204-S207 PolarHBondContact O-N 2.83Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 2.86Å; S207-A211 WeakPolarHBondContact O-CB 3.02Å; S207-A211 PolarHBondContact O-N 3.15Å; S207-A211 VanDerWaalsContact O-N 3.12Å
208	L	96.4	Very high	96.8	Very high	8 Å²	8	6.2 Å²	6.2	4%	0.042	4%	0.04	C	C	.	.	H	α-helix	trans	-67.9	-45.1	176.6	-64.1	177.3	0	0	0	112.3	L150 V165 L204 L205 C206 A211 A212 I496	L150-L208 HydrophobicContact CD1-CD2 3.55Å; L150-L208 HydrophobicContact CG-CD2 4.25Å; V165-L208 HydrophobicContact CG2-CD1 3.81Å; L204-L208 WeakPolarHBondContact O-CG 3.5Å; L204-L208 PolarHBondContact O-N 3.19Å; L204-L208 VanDerWaalsContact O-N 3.12Å; L205-L208 PolarHBondContact O-N 2.62Å; L205-L208 VanDerWaalsContact O-N 3.16Å; C206-L208 VanDerWaalsContact C-N 3.33Å; C206-L208 PolarHBondContact O-N 2.56Å; L208-A211 WeakPolarHBondContact O-CB 3.2Å; L208-A211 PolarHBondContact O-N 2.88Å; L208-A212 PolarHBondContact O-N 3.32Å; L208-I496 HydrophobicContact CD2-CD1 4.15Å
209	L	96.7	Very high	96.9	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-64.6	-43.8	-179.4	-69.3	176.5	0	0	0	112.1	W158 A161 L205 C206 A211 A212 G213 Y214 A216 I321 I336	W158-L209 HydrophobicContact CB-CD2 3.7Å; A161-L209 HydrophobicContact CB-CD2 4.32Å; L205-L209 HydrophobicContact CD1-CD1 4.15Å; L205-L209 HydrophobicContact CD1-CD2 4.43Å; L205-L209 HydrophobicContact CD1-CG 4.01Å; L205-L209 HydrophobicContact CG-CD1 3.97Å; L205-L209 HydrophobicContact CG-CG 4.29Å; L205-L209 VanDerWaalsContact O-CG 3.31Å; L205-L209 WeakPolarHBondContact O-CG 3.21Å; L205-L209 PolarHBondContact O-N 2.96Å; C206-L209 PolarHBondContact O-N 3.38Å; L209-A211 VanDerWaalsContact C-N 3.33Å; L209-A211 PolarHBondContact O-N 3.09Å; L209-A212 CarbonylContact O-C 3.47Å; L209-A212 PolarHBondContact O-N 3.16Å; L209-G213 PolarHBondContact O-N 2.78Å; L209-Y214 HydrophobicContact CB-CD2 4.4Å; L209-Y214 HydrophobicContact CD2-CD2 3.88Å; L209-Y214 HydrophobicContact CD2-CE2 4.29Å; L209-Y214 HydrophobicContact CD2-CG 4.46Å; L209-Y214 PolarHBondContact O-N 2.91Å; L209-A216 HydrophobicContact CB-CB 3.8Å; L209-A216 HydrophobicContact CD1-CB 4.08Å; L209-I321 HydrophobicContact CD1-CD1 4.08Å; L209-I321 HydrophobicContact CD1-CG2 4.11Å; L209-I336 HydrophobicContact CD1-CD1 3.92Å
210	I	95.7	Very high	96.9	Very high	18 Å²	18	6.4 Å²	6.4	9%	0.092	4%	0.041	C	C	.	.	H	α-helix	trans	-64.9	-39.5	176.3	-65.6	168.8	0	0	0	110.3	L145 K147 C206 G213 A216 N359 D360	L145-I210 HydrophobicContact CD1-CD1 4.15Å; K147-I210 HydrophobicContact CD-CG2 3.9Å; K147-I210 VanDerWaalsContact CE-CG2 3.43Å; K147-I210 HydrophobicContact CG-CG2 3.86Å; C206-I210 WeakPolarHBondContact O-CB 3.1Å; C206-I210 VanDerWaalsContact O-CG1 3.23Å; C206-I210 WeakPolarHBondContact O-CG1 3.44Å; C206-I210 PolarHBondContact O-N 3.43Å; C206-I210 WeakPolarHBondContact SG-CD1 3.42Å; I210-G213 WeakPolarHBondContact O-CA 3.26Å; I210-G213 PolarHBondContact O-N 2.98Å; I210-A216 HydrophobicContact CG1-CB 4.25Å; I210-N359 HydrophobicContact CD1-CB 4.13Å; I210-D360 HydrophobicContact CD1-CB 4.42Å
211	A	94.3	Very high	96.8	Very high	3 Å²	3	6.4 Å²	6.4	3%	0.025	4%	0.041	C	C	.	.	H	α-helix	trans	-61.8	-44.7	173.9	0	0	0	0	0	111.4	T148 Y149 S207 L208 L209 G213	T148-A211 VanDerWaalsContact O-CB 3.29Å; T148-A211 WeakPolarHBondContact O-CB 3.3Å; Y149-A211 WeakPolarHBondContact CE1-O 3.4Å; Y149-A211 PolarHBondContact OH-O 2.99Å; S207-A211 WeakPolarHBondContact O-CB 3.02Å; S207-A211 PolarHBondContact O-N 3.15Å; S207-A211 VanDerWaalsContact O-N 3.12Å; L208-A211 WeakPolarHBondContact O-CB 3.2Å; L208-A211 PolarHBondContact O-N 2.88Å; L209-A211 VanDerWaalsContact C-N 3.33Å; L209-A211 PolarHBondContact O-N 3.09Å; A211-G213 PolarHBondContact O-N 3.16Å
212	A	94.4	Very high	96.6	Very high	4 Å²	4	8.5 Å²	8.5	3%	0.033	5%	0.05	C	C	.	.	H	α-helix	trans	-62.6	-20.4	172.3	0	0	0	0	0	112.4	Y156 L208 L209 Y214 R328	Y156-A212 HydrophobicContact CD1-CB 4.3Å; L208-A212 PolarHBondContact O-N 3.32Å; L209-A212 CarbonylContact O-C 3.47Å; L209-A212 PolarHBondContact O-N 3.16Å; A212-Y214 HydrophobicContact CB-CD2 3.97Å; A212-Y214 HydrophobicContact CB-CE2 4.12Å; A212-R328 PolarHBondContact O-NE 3.35Å; A212-R328 PolarHBondContact O-NH2 3.34Å
213	G	94.5	Very high	96.5	Very high	31 Å²	31	8.5 Å²	8.5	32%	0.32	5%	0.05	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.7	15.2	174.6	0	0	0	0	0	114.4	L209 I210 A211 K327	L209-G213 PolarHBondContact O-N 2.78Å; I210-G213 WeakPolarHBondContact O-CA 3.26Å; I210-G213 PolarHBondContact O-N 2.98Å; A211-G213 PolarHBondContact O-N 3.16Å; G213-K327 WeakPolarHBondContact O-CB 3.44Å
214	Y	96.2	Very high	96.3	Very high	13 Å²	13	9.2 Å²	9.2	5%	0.051	5%	0.054	C	C	.	.			trans	-71.3	151.7	167.9	-69.5	-82.8	0	0	0	111	Y156 W158 L209 A212 A216 V323 R328 V330	Y156-Y214 WeakPolarHBondContact O-CE2 3.38Å; Y156-Y214 PolarHBondContact O-OH 3.38Å; W158-Y214 HydrophobicContact CB-CD1 4.49Å; W158-Y214 HydrophobicContact CB-CD2 4.47Å; W158-Y214 HydrophobicContact CB-CE1 4.02Å; W158-Y214 HydrophobicContact CB-CE2 3.98Å; W158-Y214 HydrophobicContact CG-CE1 4.4Å; W158-Y214 PolarHBondContact N-OH 3.16Å; L209-Y214 HydrophobicContact CB-CD2 4.4Å; L209-Y214 HydrophobicContact CD2-CD2 3.88Å; L209-Y214 HydrophobicContact CD2-CE2 4.29Å; L209-Y214 HydrophobicContact CD2-CG 4.46Å; L209-Y214 PolarHBondContact O-N 2.91Å; A212-Y214 HydrophobicContact CB-CD2 3.97Å; A212-Y214 HydrophobicContact CB-CE2 4.12Å; Y214-A216 VanDerWaalsContact C-N 3.33Å; Y214-A216 PolarHBondContact O-N 2.75Å; Y214-V323 HydrophobicContact CD1-CG1 4.41Å; Y214-R328 HydrophobicContact CD1-CB 3.56Å; Y214-R328 HydrophobicContact CD1-CG 4.08Å; Y214-R328 HydrophobicContact CD2-CG 4.29Å; Y214-R328 HydrophobicContact CE1-CB 3.31Å; Y214-R328 HydrophobicContact CE1-CG 4.01Å; Y214-R328 HydrophobicContact CE2-CB 4.4Å; Y214-R328 HydrophobicContact CE2-CG 4.23Å; Y214-R328 HydrophobicContact CG-CB 4.2Å; Y214-R328 HydrophobicContact CG-CG 4.21Å; Y214-V330 HydrophobicContact CD1-CG2 3.84Å; Y214-V330 HydrophobicContact CE1-CG2 3.81Å
215	D	95.8	Very high	95.9	Very high	27 Å²	27	10 Å²	10	14%	0.144	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	76.6	170.6	-151.1	50.6	0	0	0	109.9	Y217 V323 L324 K327	D215-Y217 HydrophobicContact CB-CE2 4.44Å; D215-Y217 WeakPolarHBondContact OD2-CE2 3.39Å; D215-Y217 PolarHBondContact OD2-OH 2.86Å; D215-V323 WeakPolarHBondContact O-CA 3.31Å; D215-L324 HydrophobicContact CB-CB 4.3Å; D215-L324 PolarHBondContact O-N 2.85Å; D215-K327 HydrophobicContact CB-CD 3.96Å; D215-K327 HydrophobicContact CB-CG 4.39Å; D215-K327 IonicContact OD1-NZ 3.25Å; D215-K327 PolarHBondContact OD1-NZ 2.79Å
216	A	97.2	Very high	95.6	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.008	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	143	-173.3	0	0	0	0	0	112.1	L209 I210 Y214 I321 L322 N359	L209-A216 HydrophobicContact CB-CB 3.8Å; L209-A216 HydrophobicContact CD1-CB 4.08Å; I210-A216 HydrophobicContact CG1-CB 4.25Å; Y214-A216 VanDerWaalsContact C-N 3.33Å; Y214-A216 PolarHBondContact O-N 2.75Å; A216-I321 HydrophobicContact CB-CG2 4.16Å; A216-L322 CarbonylContact C-O 3.49Å; A216-L322 WeakPolarHBondContact CA-O 3.12Å; A216-N359 WeakPolarHBondContact O-CB 3.37Å
217	Y	98	Very high	95.3	Very high	17 Å²	17	12.7 Å²	12.7	7%	0.067	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.5	-179.8	-56.7	-101.8	0	0	0	109.4	D215 I321 L322 L324 L357 W358 N359 W364 L381	D215-Y217 HydrophobicContact CB-CE2 4.44Å; D215-Y217 WeakPolarHBondContact OD2-CE2 3.39Å; D215-Y217 PolarHBondContact OD2-OH 2.86Å; Y217-I321 CarbonylContact O-C 3.55Å; Y217-I321 VanDerWaalsContact O-CA 3.26Å; Y217-I321 WeakPolarHBondContact O-CA 3.38Å; Y217-L322 PolarHBondContact N-O 3.23Å; Y217-L322 PolarHBondContact O-N 2.9Å; Y217-L324 HydrophobicContact CD2-CD1 4.3Å; Y217-L324 HydrophobicContact CD2-CG 4.26Å; Y217-L324 HydrophobicContact CE2-CB 4.36Å; Y217-L324 HydrophobicContact CE2-CD1 3.55Å; Y217-L324 HydrophobicContact CE2-CG 3.83Å; Y217-L357 HydrophobicContact CD1-CD1 3.68Å; Y217-L357 HydrophobicContact CE1-CD1 4.39Å; Y217-L357 HydrophobicContact CG-CD1 4.2Å; Y217-W358 CarbonylContact C-O 3.52Å; Y217-W358 WeakPolarHBondContact CA-O 3.43Å; Y217-N359 HydrophobicContact CD1-CB 3.8Å; Y217-N359 HydrophobicContact CE1-CB 4.1Å; Y217-N359 WeakPolarHBondContact CE1-ND2 3.36Å; Y217-N359 HydrophobicContact CG-CB 4.4Å; Y217-W364 HydrophobicContact CD1-CE3 4.35Å; Y217-W364 HydrophobicContact CD1-CH2 4.42Å; Y217-W364 AromaticContact CD1-CZ3 3.85Å; Y217-W364 HydrophobicContact CD1-CZ3 3.85Å; Y217-W364 HydrophobicContact CE1-CE3 4.35Å; Y217-W364 AromaticContact CE1-CH2 3.72Å; Y217-W364 HydrophobicContact CE1-CH2 3.72Å; Y217-W364 AromaticContact CE1-CZ3 3.61Å; Y217-W364 HydrophobicContact CE1-CZ3 3.61Å; Y217-L381 HydrophobicContact CD1-CD1 3.88Å; Y217-L381 HydrophobicContact CE1-CD1 3.37Å; Y217-L381 HydrophobicContact CE2-CD1 4.26Å; Y217-L381 HydrophobicContact CG-CD1 4.5Å
218	I	98.3	Very high	95.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.2	167.3	-60.9	171.4	0	0	0	107.6	L145 A202 C206 L357 W358	L145-I218 HydrophobicContact CD2-CD1 3.8Å; A202-I218 HydrophobicContact CB-CD1 4.49Å; A202-I218 HydrophobicContact CB-CG1 4.22Å; A202-I218 HydrophobicContact CB-CG2 3.81Å; C206-I218 HydrophobicContact CB-CD1 3.9Å; C206-I218 HydrophobicContact CB-CG1 3.52Å; I218-L357 CarbonylContact O-C 3.51Å; I218-L357 WeakPolarHBondContact O-CA 3.34Å; I218-L357 WeakPolarHBondContact O-CB 3.37Å; I218-W358 HydrophobicContact CB-CD2 4.1Å; I218-W358 HydrophobicContact CB-CH2 4.21Å; I218-W358 HydrophobicContact CB-CZ2 3.77Å; I218-W358 HydrophobicContact CD1-CZ2 4.08Å; I218-W358 HydrophobicContact CG2-CD2 4.42Å; I218-W358 HydrophobicContact CG2-CH2 3.47Å; I218-W358 VanDerWaalsContact CG2-CH2 3.47Å; I218-W358 HydrophobicContact CG2-CZ2 3.32Å; I218-W358 HydrophobicContact CG2-CZ3 4.1Å; I218-W358 PolarHBondContact N-O 3.31Å; I218-W358 PolarHBondContact O-N 3.33Å
219	V	97.9	Very high	94.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.4	175.4	-174.5	0	0	0	0	107.8	A319 W320 L322 F335 I354 L357	V219-A319 WeakPolarHBondContact O-CA 3.23Å; V219-W320 HydrophobicContact CB-CD2 4Å; V219-W320 HydrophobicContact CB-CG 4.14Å; V219-W320 HydrophobicContact CB-CZ2 4.29Å; V219-W320 HydrophobicContact CG1-CD2 4.08Å; V219-W320 VanDerWaalsContact CG1-CE2 3.41Å; V219-W320 HydrophobicContact CG1-CH2 4.12Å; V219-W320 HydrophobicContact CG1-CZ2 3.47Å; V219-W320 VanDerWaalsContact CG1-CZ2 3.47Å; V219-W320 PolarHBondContact N-O 3.45Å; V219-W320 PolarHBondContact O-N 2.67Å; V219-W320 VanDerWaalsContact O-N 3.07Å; V219-L322 HydrophobicContact CG2-CB 3.63Å; V219-F335 HydrophobicContact CG2-CE1 4.27Å; V219-I354 HydrophobicContact CG1-CB 4.29Å; V219-I354 HydrophobicContact CG1-CD1 3.96Å; V219-I354 HydrophobicContact CG1-CG1 3.76Å; V219-I354 HydrophobicContact CG1-CG2 3.65Å; V219-L357 HydrophobicContact CG2-CB 4.38Å
220	S	97.2	Very high	94.5	Very high	6 Å²	6	15.5 Å²	15.5	4%	0.042	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.2	169.4	178.3	0	0	0	0	108.7	E355 S356	S220-E355 PolarHBondContact O-N 3.05Å; S220-S356 PolarHBondContact N-O 2.83Å; S220-S356 PolarHBondContact O-N 3.07Å; S220-S356 VanDerWaalsContact O-N 3.16Å
221	G	95.6	Very high	94.1	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.021	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	-151.8	-176.4	0	0	0	0	0	112.2	I317 H318 G353	G221-I317 WeakPolarHBondContact O-CA 3.13Å; G221-H318 PolarHBondContact N-O 3.38Å; G221-H318 VanDerWaalsContact N-O 3.09Å; G221-H318 PolarHBondContact O-N 2.69Å; G221-G353 CarbonylContact C-O 3.58Å; G221-G353 VanDerWaalsContact CA-O 3.22Å; G221-G353 WeakPolarHBondContact CA-O 3.38Å
222	Y	95.5	Very high	93.9	Very high	44 Å²	44	17.8 Å²	17.8	17%	0.173	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142	-178.7	-48.5	-79.5	0	0	0	111.1	G314 R316 I317 L352 G353 E355	Y222-G314 WeakPolarHBondContact CD1-O 3.4Å; Y222-R316 WeakPolarHBondContact CA-O 3.1Å; Y222-I317 HydrophobicContact CD1-CG1 4.34Å; Y222-I317 HydrophobicContact CE1-CG1 4.19Å; Y222-L352 PolarHBondContact O-N 2.76Å; Y222-G353 PolarHBondContact N-O 2.98Å; Y222-G353 PolarHBondContact O-N 3.37Å; Y222-E355 HydrophobicContact CE2-CG 3.61Å; Y222-E355 WeakPolarHBondContact CE2-OE1 3.27Å; Y222-E355 VanDerWaalsContact CZ-OE1 3.29Å; Y222-E355 PolarHBondContact OH-OE1 3.16Å
223	A	94.9	Very high	93.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	169.4	177.8	0	0	0	0	0	111.7	C227 R316 H318 M350 Y351	A223-C227 HydrophobicContact CB-CB 4.12Å; A223-R316 PolarHBondContact N-O 2.83Å; A223-H318 HydrophobicContact CB-CB 3.71Å; A223-M350 CarbonylContact C-O 3.56Å; A223-M350 WeakPolarHBondContact CA-O 3.5Å; A223-M350 WeakPolarHBondContact CB-O 3.29Å; A223-Y351 HydrophobicContact CB-CD1 4.16Å
224	T	93	Very high	93	Very high	18 Å²	18	22.2 Å²	22.2	11%	0.11	11%	0.106	C	C	.	.			trans	-64.9	157.9	174.8	59	0	0	0	0	111.4	E226 C227 C228 F313 M350 L352	T224-E226 VanDerWaalsContact C-N 3.26Å; T224-E226 PolarHBondContact O-N 2.95Å; T224-C227 PolarHBondContact O-N 2.63Å; T224-C227 WeakPolarHBondContact OG1-CB 3.25Å; T224-C228 PolarHBondContact O-N 2.96Å; T224-C228 PolarHBondContact O-SG 2.68Å; T224-F313 HydrophobicContact CG2-CE2 4.05Å; T224-M350 PolarHBondContact N-O 3.02Å; T224-L352 HydrophobicContact CG2-CD1 4.31Å; T224-L352 HydrophobicContact CG2-CD2 4.11Å; T224-L352 HydrophobicContact CG2-CG 4.33Å
225	R	90.7	Very high	92.5	Very high	17 Å²	17	25.1 Å²	25.1	6%	0.064	12%	0.12	C	C	.	.	H	α-helix	trans	-52.7	-46.2	176.9	176.1	-177.2	59.2	-158.9	-9.4	112.1	C227 C228 Y229 P307 T308	R225-C227 VanDerWaalsContact C-N 3.32Å; R225-C227 PolarHBondContact O-N 3.11Å; R225-C228 PolarHBondContact O-N 3.46Å; R225-Y229 HydrophobicContact CG-CD2 3.73Å; R225-Y229 HydrophobicContact CG-CE2 3.98Å; R225-Y229 PolarHBondContact O-N 3.03Å; R225-P307 VanDerWaalsContact NH2-CB 3.31Å; R225-T308 PolarHBondContact NH1-O 3.41Å; R225-T308 PolarHBondContact NH1-OG1 2.89Å; R225-T308 PolarHBondContact NH2-O 3.46Å; R225-T308 VanDerWaalsContact NH2-O 3.17Å
226	E	89.5	Confident	92.2	Very high	45 Å²	45	29 Å²	29	21%	0.21	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-40.9	-175.4	-62.6	70.4	-154.3	0	0	110.6	T224 M230 D231	T224-E226 VanDerWaalsContact C-N 3.26Å; T224-E226 PolarHBondContact O-N 2.95Å; E226-M230 PolarHBondContact O-N 2.83Å; E226-M230 VanDerWaalsContact O-N 3.13Å; E226-D231 HydrophobicContact CB-CB 4.43Å; E226-D231 PolarHBondContact O-N 2.95Å
227	C	92.4	Very high	91.7	Very high	10 Å²	10	28.9 Å²	28.9	7%	0.068	14%	0.139	C	C	.	.	H	α-helix	trans	-66.4	-47	174.4	172.4	0	0	0	0	112	A223 T224 R225 Y229 M230 H318 E337 M350	A223-C227 HydrophobicContact CB-CB 4.12Å; T224-C227 PolarHBondContact O-N 2.63Å; T224-C227 WeakPolarHBondContact OG1-CB 3.25Å; R225-C227 VanDerWaalsContact C-N 3.32Å; R225-C227 PolarHBondContact O-N 3.11Å; C227-Y229 PolarHBondContact O-N 2.75Å; C227-M230 PolarHBondContact O-N 3.49Å; C227-H318 PolarHBondContact SG-CD2 3.22Å; C227-H318 PolarHBondContact SG-NE2 3.44Å; C227-H318 VanDerWaalsContact SG-NE2 3.44Å; C227-E337 PolarHBondContact SG-OE2 2.8Å; C227-M350 HydrophobicContact CB-CB 4.27Å; C227-M350 HydrophobicContact CB-SD 4.5Å
228	C	93	Very high	91.2	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.061	16%	0.159	C	C	.	.	H	α-helix	trans	-64.8	-26.1	-178.3	-64.3	0	0	0	0	113.8	F171 T224 R225 R316	F171-C228 WeakPolarHBondContact CZ-O 3.48Å; T224-C228 PolarHBondContact O-N 2.96Å; T224-C228 PolarHBondContact O-SG 2.68Å; R225-C228 PolarHBondContact O-N 3.46Å; C228-R316 HydrophobicContact CB-CB 4.43Å; C228-R316 VanDerWaalsContact SG-CB 3.52Å
229	Y	90.2	Very high	90.5	Very high	27 Å²	27	36.8 Å²	36.8	11%	0.106	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	7	-178.4	-65.3	-38.1	0	0	0	114.2	L76 P173 S177 R225 C227 D231 R316	L76-Y229 HydrophobicContact CD2-CD1 4.2Å; L76-Y229 HydrophobicContact CD2-CE1 3.7Å; L76-Y229 HydrophobicContact CG-CE1 4.24Å; P173-Y229 HydrophobicContact CB-CD1 4.02Å; P173-Y229 HydrophobicContact CB-CE1 4.01Å; S177-Y229 PolarHBondContact OG-OH 3.19Å; R225-Y229 HydrophobicContact CG-CD2 3.73Å; R225-Y229 HydrophobicContact CG-CE2 3.98Å; R225-Y229 PolarHBondContact O-N 3.03Å; C227-Y229 PolarHBondContact O-N 2.75Å; Y229-D231 PolarHBondContact O-N 2.75Å; Y229-R316 VanDerWaalsContact CZ-NH1 3.34Å; Y229-R316 PolarHBondContact OH-NH1 2.84Å
230	M	90.4	Very high	89.8	Confident	33 Å²	33	40 Å²	40	16%	0.163	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	39.8	-176.5	-162.4	-175.8	170.7	0	0	112	F171 E226 C227 E232 L339 T340	F171-M230 HydrophobicContact CB-SD 4.33Å; F171-M230 HydrophobicContact CD1-CB 4.24Å; E226-M230 PolarHBondContact O-N 2.83Å; E226-M230 VanDerWaalsContact O-N 3.13Å; C227-M230 PolarHBondContact O-N 3.49Å; M230-E232 PolarHBondContact O-N 3.38Å; M230-L339 HydrophobicContact CB-CB 4.36Å; M230-L339 HydrophobicContact CB-CD1 4.07Å; M230-L339 VanDerWaalsContact CE-O 3.27Å; M230-L339 WeakPolarHBondContact CE-O 3.43Å; M230-L339 HydrophobicContact CG-CB 4.06Å; M230-L339 HydrophobicContact SD-CB 4.07Å; M230-T340 HydrophobicContact CG-CG2 4.47Å
231	D	88	Confident	88.6	Confident	56 Å²	56	43.8 Å²	43.8	30%	0.299	22%	0.215	S	C	.	.			trans	-84.4	94.5	179.8	-176.1	6.3	0	0	0	110.5	E226 Y229 T233	E226-D231 HydrophobicContact CB-CB 4.43Å; E226-D231 PolarHBondContact O-N 2.95Å; Y229-D231 PolarHBondContact O-N 2.75Å; D231-T233 VanDerWaalsContact OD1-CB 3.24Å; D231-T233 WeakPolarHBondContact OD1-CB 3.1Å; D231-T233 WeakPolarHBondContact OD1-CG2 3.34Å; D231-T233 PolarHBondContact OD1-N 3.03Å; D231-T233 VanDerWaalsContact OD1-N 3.08Å; D231-T233 PolarHBondContact OD1-OG1 3.2Å
232	E	89.2	Confident	86.6	Confident	13 Å²	13	45.8 Å²	45.8	6%	0.061	24%	0.235	C	C	.	.			trans	-89.1	2.9	177.7	-65.1	175.4	105.1	0	0	112.7	M230 R234 E235 R514 L515 Y516	M230-E232 PolarHBondContact O-N 3.38Å; E232-R234 PolarHBondContact O-N 2.92Å; E232-E235 PolarHBondContact O-N 3.39Å; E232-R514 IonicContact OE1-NH1 3.36Å; E232-R514 WeakPolarHBondContact OE2-CD 3.5Å; E232-R514 IonicContact OE2-NH1 2.78Å; E232-L515 CarbonylContact C-O 3.52Å; E232-L515 WeakPolarHBondContact CB-O 3.36Å; E232-Y516 HydrophobicContact CB-CD1 3.92Å; E232-Y516 HydrophobicContact CB-CE1 3.72Å; E232-Y516 HydrophobicContact CG-CE1 4.15Å; E232-Y516 WeakPolarHBondContact O-CA 3.26Å; E232-Y516 WeakPolarHBondContact OE1-CE1 3.36Å; E232-Y516 PolarHBondContact OE1-OH 2.95Å; E232-Y516 PolarHBondContact OE2-OH 2.96Å
233	T	86	Confident	84.1	Confident	38 Å²	38	50.1 Å²	50.1	23%	0.233	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.7	-169.9	59.7	0	0	0	0	115.2	D231 L515 Y516 K517	D231-T233 VanDerWaalsContact OD1-CB 3.24Å; D231-T233 WeakPolarHBondContact OD1-CB 3.1Å; D231-T233 WeakPolarHBondContact OD1-CG2 3.34Å; D231-T233 PolarHBondContact OD1-N 3.03Å; D231-T233 VanDerWaalsContact OD1-N 3.08Å; D231-T233 PolarHBondContact OD1-OG1 3.2Å; T233-L515 HydrophobicContact CG2-CB 3.84Å; T233-L515 HydrophobicContact CG2-CD1 4.45Å; T233-L515 PolarHBondContact N-O 2.79Å; T233-Y516 CarbonylContact O-C 3.57Å; T233-K517 VanDerWaalsContact O-CA 3.26Å; T233-K517 WeakPolarHBondContact O-CA 3.23Å; T233-K517 PolarHBondContact O-N 3.25Å; T233-K517 VanDerWaalsContact O-N 3.12Å
234	R	84.2	Confident	81.2	Confident	91 Å²	91	57.5 Å²	57.5	34%	0.343	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-11.3	179.1	-63.5	151.1	177.2	-88.9	-13	112.7	E232 Y305 P307	E232-R234 PolarHBondContact O-N 2.92Å; R234-Y305 PolarHBondContact NH1-O 3.23Å; R234-Y305 PolarHBondContact NH2-O 2.85Å; R234-P307 VanDerWaalsContact NH1-CA 3.34Å
235	E	86.6	Confident	78.5	Confident	74 Å²	74	61.8 Å²	61.8	35%	0.346	32%	0.317	S	S	.	.	S	Bend	trans	-81.4	145.8	178.3	-61.7	-162.9	159.4	0	0	110.4	E232 C237 Y516 K517	E232-E235 PolarHBondContact O-N 3.39Å; E235-C237 PolarHBondContact O-N 3.49Å; E235-Y516 HydrophobicContact CB-CD1 4.42Å; E235-K517 WeakPolarHBondContact O-CB 3.43Å; E235-K517 PolarHBondContact O-N 2.7Å
236	I	87.9	Confident	75.9	Confident	107 Å²	107	69.4 Å²	69.4	55%	0.549	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-70.4	129.9	174.6	-60.8	171.6	0	0	0	108.2	P238 I241	I236-P238 WeakPolarHBondContact O-CD 3.35Å; I236-I241 HydrophobicContact CB-CD1 4.5Å; I236-I241 HydrophobicContact CG2-CD1 4.14Å; I236-I241 HydrophobicContact CG2-CG1 3.92Å
237	C	87.2	Confident	73.2	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-58.1	124.8	178.2	177.4	0	0	0	0	111.1	E235 Y239 L240 Y516 S519 V521	E235-C237 PolarHBondContact O-N 3.49Å; C237-Y239 PolarHBondContact O-N 3.18Å; C237-Y239 VanDerWaalsContact O-N 3.09Å; C237-L240 HydrophobicContact CB-CD1 3.95Å; C237-L240 HydrophobicContact CB-CG 4.06Å; C237-L240 WeakPolarHBondContact O-CB 3.32Å; C237-L240 PolarHBondContact O-N 3.44Å; C237-Y516 HydrophobicContact CB-CD1 4.5Å; C237-Y516 HydrophobicContact CB-CD2 4.07Å; C237-Y516 HydrophobicContact CB-CG 3.86Å; C237-S519 WeakPolarHBondContact CB-OG 3.11Å; C237-V521 VanDerWaalsContact SG-CG2 3.5Å
238	P	86.8	Confident	70.3	Confident	74 Å²	74	78.7 Å²	78.7	48%	0.481	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-56.6	-29.3	-178.3	-27.6	34.6	0	0	0	114.4	I236 L240 I241	I236-P238 WeakPolarHBondContact O-CD 3.35Å; P238-L240 PolarHBondContact O-N 3.2Å; P238-I241 PolarHBondContact O-N 3.45Å
239	Y	83.7	Confident	67.4	Low	109 Å²	109	84 Å²	84	43%	0.427	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-71	-16.4	179.4	-61.6	-83.5	0	0	0	113.5	C237 V521 L535	C237-Y239 PolarHBondContact O-N 3.18Å; C237-Y239 VanDerWaalsContact O-N 3.09Å; Y239-V521 HydrophobicContact CD2-CG1 4.31Å; Y239-V521 HydrophobicContact CD2-CG2 3.95Å; Y239-V521 HydrophobicContact CE2-CG1 3.78Å; Y239-V521 HydrophobicContact CE2-CG2 4.2Å; Y239-L535 HydrophobicContact CD1-CD2 3.87Å; Y239-L535 HydrophobicContact CE1-CD1 4.17Å; Y239-L535 HydrophobicContact CE1-CD2 3.69Å; Y239-L535 HydrophobicContact CE2-CD1 4.22Å
240	L	83.6	Confident	64.7	Low	67 Å²	67	90 Å²	90	35%	0.351	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-89.7	-15.6	176.9	-61.2	177.5	0	0	0	112.9	C237 P238 G242 L537 I539	C237-L240 HydrophobicContact CB-CD1 3.95Å; C237-L240 HydrophobicContact CB-CG 4.06Å; C237-L240 WeakPolarHBondContact O-CB 3.32Å; C237-L240 PolarHBondContact O-N 3.44Å; P238-L240 PolarHBondContact O-N 3.2Å; L240-G242 VanDerWaalsContact C-N 3.3Å; L240-G242 PolarHBondContact O-N 2.7Å; L240-L537 HydrophobicContact CD2-CD2 3.89Å; L240-I539 HydrophobicContact CD2-CD1 3.67Å; L240-I539 HydrophobicContact CD2-CG1 4.24Å
241	I	72.1	Confident	62.1	Low	86 Å²	86	95.3 Å²	95.3	44%	0.441	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.8	-175.3	-56.2	174.8	0	0	0	111.4	I236 P238 D243	I236-I241 HydrophobicContact CB-CD1 4.5Å; I236-I241 HydrophobicContact CG2-CD1 4.14Å; I236-I241 HydrophobicContact CG2-CG1 3.92Å; P238-I241 PolarHBondContact O-N 3.45Å; I241-D243 PolarHBondContact O-N 3.45Å
242	G	52.9	Low	59.6	Low	44 Å²	44	98 Å²	98	45%	0.454	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-14.3	-168.7	0	0	0	0	0	117.3	L240	L240-G242 VanDerWaalsContact C-N 3.3Å; L240-G242 PolarHBondContact O-N 2.7Å
243	D	43.4	Very low	57	Low	135 Å²	135	105.6 Å²	105.6	72%	0.722	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-23.2	-175.7	-72	-23.2	0	0	0	113.4	I241	I241-D243 PolarHBondContact O-N 3.45Å
244	E	35	Very low	54.4	Low	155 Å²	155	109.6 Å²	109.6	72%	0.724	57%	0.571	S	S	*	*	H	α-helix	trans	-79.9	-22.7	-176.7	-64.9	-171.5	164.9	0	0	113.9	T248	E244-T248 PolarHBondContact O-OG1 2.89Å
245	I	35.9	Very low	52.2	Low	108 Å²	108	112.8 Å²	112.8	55%	0.554	59%	0.589	S	S	*	*	H	α-helix	trans	-84.8	-15.6	-173.6	-60.1	172.2	0	0	0	112.6
246	K	35.3	Very low	49.9	Very low	176 Å²	176	118.3 Å²	118.3	77%	0.765	62%	0.615	S	S	*	*	H	α-helix	trans	-88.6	-20.6	177.9	-71.6	-176.1	-179.4	175.5	0	113.8
247	E	33.9	Very low	47.8	Very low	158 Å²	158	121 Å²	121	74%	0.738	63%	0.63	S	S	*	*	H	α-helix	trans	-91	-15.6	178	-67.2	-169.9	161.7	0	0	113.3
248	T	30.7	Very low	46	Very low	92 Å²	92	129.2 Å²	129.2	56%	0.564	67%	0.668	S	S	*	*	S	Bend	trans	-98.4	3.6	-174.1	58.8	0	0	0	0	115.9	E244	E244-T248 PolarHBondContact O-OG1 2.89Å
249	N	32.6	Very low	44.1	Very low	121 Å²	121	130.9 Å²	130.9	65%	0.647	68%	0.679	S	S	*	*	S	Bend	trans	-113.3	-0.4	179.8	-78.8	-39.9	0	0	0	115.3
250	D	34.3	Very low	42.4	Very low	153 Å²	153	134.5 Å²	134.5	82%	0.818	70%	0.697	S	S	*	*	S	Bend	trans	-100.1	0.7	170.3	-76.3	-23.1	0	0	0	113.3	V252	D250-V252 PolarHBondContact O-N 3.36Å
251	D	36	Very low	41.1	Very low	144 Å²	144	142.5 Å²	142.5	77%	0.77	72%	0.722	S	S	*	*			trans	-98	41.2	178	-80.1	-22.3	0	0	0	113.4
252	V	33.6	Very low	40.5	Very low	112 Å²	112	148.9 Å²	148.9	68%	0.679	74%	0.742	S	S	*	*	S	Bend	trans	-133.9	104.4	175	-176.4	0	0	0	0	111.2	D250	D250-V252 PolarHBondContact O-N 3.36Å
253	K	35.3	Very low	40.7	Very low	174 Å²	174	151.9 Å²	151.9	76%	0.757	75%	0.752	S	S	*	*			trans	90.7	63.4	175	-56.1	175.1	-175.5	179.6	0	116.1	E255	K253-E255 PolarHBondContact O-N 3.49Å
254	S	32.2	Very low	41.4	Very low	122 Å²	122	153.2 Å²	153.2	85%	0.853	76%	0.758	S	S	*	*			trans	-61.5	88.3	135.6	47.9	0	0	0	0	107.7	E256	S254-E256 PolarHBondContact O-N 3.2Å; S254-E256 VanDerWaalsContact O-N 3.13Å
255	E	38.1	Very low	43	Very low	157 Å²	157	154.9 Å²	154.9	73%	0.734	76%	0.763	S	S	*	*			trans	-51.4	117.9	166.3	-75.2	-178.1	161	0	0	107.4	K253 L257	K253-E255 PolarHBondContact O-N 3.49Å; E255-L257 VanDerWaalsContact C-N 3.26Å; E255-L257 PolarHBondContact O-N 3.25Å
256	E	36.8	Very low	44.6	Very low	190 Å²	190	155.5 Å²	155.5	89%	0.888	77%	0.773	S	S	*	*			trans	-52	96.4	165.1	-76.4	179.1	142.7	0	0	107.4	S254 E258	S254-E256 PolarHBondContact O-N 3.2Å; S254-E256 VanDerWaalsContact O-N 3.13Å; E256-E258 PolarHBondContact O-N 2.92Å
257	L	45.1	Very low	46.4	Very low	163 Å²	163	156 Å²	156	85%	0.853	78%	0.779	S	S	*	*			trans	-58.3	109.1	171.8	-77.1	166.7	0	0	0	106.7	E255	E255-L257 VanDerWaalsContact C-N 3.26Å; E255-L257 PolarHBondContact O-N 3.25Å
258	E	48.9	Very low	48	Very low	174 Å²	174	157.6 Å²	157.6	81%	0.813	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-48	133.1	175	-76.9	-138.6	157.5	0	0	109.5	E256 K260	E256-E258 PolarHBondContact O-N 2.92Å; E258-K260 PolarHBondContact O-N 2.9Å
259	P	46.2	Very low	49.7	Very low	109 Å²	109	158.6 Å²	158.6	71%	0.708	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-60.4	117.2	-173.1	23.7	-32.3	0	0	0	109.3	R261	P259-R261 PolarHBondContact O-N 2.82Å
260	K	49.1	Very low	51.8	Low	185 Å²	185	160.6 Å²	160.6	80%	0.804	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-51.2	130.2	171.6	-71.8	179.3	-179.6	174.3	0	108.2	E258 Y262 T263	E258-K260 PolarHBondContact O-N 2.9Å; K260-Y262 PolarHBondContact O-N 3.29Å; K260-T263 PolarHBondContact O-N 2.67Å; K260-T263 PolarHBondContact O-OG1 2.92Å
261	R	56.8	Low	53.7	Low	234 Å²	234	156.3 Å²	156.3	88%	0.883	77%	0.774	S	S	*	*	S	Bend	trans	-55.2	6.3	-168.6	-139.6	175.1	-173.2	-175.2	2.2	117.3	P259	P259-R261 PolarHBondContact O-N 2.82Å
262	Y	57.9	Low	55.9	Low	220 Å²	220	151.8 Å²	151.8	86%	0.863	75%	0.754	S	S	*	*			trans	-145.5	68.2	178.5	-61.1	-80.3	0	0	0	110.5	K260	K260-Y262 PolarHBondContact O-N 3.29Å
263	T	58	Low	58.1	Low	107 Å²	107	155.4 Å²	155.4	66%	0.656	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-98.8	125.6	168.6	7.2	0	0	0	0	109.9	K260 K265	K260-T263 PolarHBondContact O-N 2.67Å; K260-T263 PolarHBondContact O-OG1 2.92Å; T263-K265 PolarHBondContact O-N 2.93Å
264	I	58.1	Low	60.3	Low	163 Å²	163	155 Å²	155	84%	0.836	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-60.5	127	173	-60.6	168.4	0	0	0	107.1	P266	I264-P266 WeakPolarHBondContact O-CD 3.46Å
265	K	68.1	Low	62.6	Low	191 Å²	191	155.4 Å²	155.4	83%	0.83	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-57.6	123.6	177.2	-74.7	-179.4	178.4	177.5	0	108.3	T263	T263-K265 PolarHBondContact O-N 2.93Å
266	P	69.1	Low	64.6	Low	120 Å²	120	152.7 Å²	152.7	78%	0.779	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-58.5	149.6	173.3	23.9	-31.3	0	0	0	109.4	I264	I264-P266 WeakPolarHBondContact O-CD 3.46Å
267	E	74.5	Confident	66.9	Low	188 Å²	188	146.4 Å²	146.4	88%	0.879	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-54.5	143.3	179.1	-64.2	-174.9	177.4	0	0	110.2	D269	E267-D269 PolarHBondContact O-N 3.05Å
268	K	67.7	Low	68.8	Low	190 Å²	190	142.1 Å²	142.1	83%	0.826	69%	0.688	S	S	*	*			trans	-67.4	106.3	-175.4	-160.1	178.2	-172.5	-177.1	0	107.8	L270	K268-L270 PolarHBondContact O-N 3.31Å
269	D	66.6	Low	70.6	Confident	113 Å²	113	137.1 Å²	137.1	60%	0.604	67%	0.669	S	S	*	*			trans	-56.6	115.3	177.3	-169.2	-2.8	0	0	0	109.7	E267 T271	E267-D269 PolarHBondContact O-N 3.05Å; D269-T271 VanDerWaalsContact C-N 3.31Å; D269-T271 VanDerWaalsContact OD1-CB 3.31Å; D269-T271 WeakPolarHBondContact OD1-CB 3.45Å; D269-T271 WeakPolarHBondContact OD1-CG2 3.27Å; D269-T271 PolarHBondContact OD1-N 3.12Å; D269-T271 PolarHBondContact OD1-OG1 2.92Å; D269-T271 PolarHBondContact OD2-OG1 2.86Å
270	L	76.3	Confident	72.4	Confident	163 Å²	163	137 Å²	137	85%	0.853	66%	0.66	S	S	*	*			trans	-91.7	4.2	179.8	-64.9	176.7	0	0	0	111.6	K268	K268-L270 PolarHBondContact O-N 3.31Å
271	T	74.6	Confident	74.2	Confident	64 Å²	64	134.7 Å²	134.7	39%	0.393	65%	0.65	S	S	.	*	S	Bend	trans	-65.3	143	170.9	61.9	0	0	0	0	110.4	D269 K273 H276	D269-T271 VanDerWaalsContact C-N 3.31Å; D269-T271 VanDerWaalsContact OD1-CB 3.31Å; D269-T271 WeakPolarHBondContact OD1-CB 3.45Å; D269-T271 WeakPolarHBondContact OD1-CG2 3.27Å; D269-T271 PolarHBondContact OD1-N 3.12Å; D269-T271 PolarHBondContact OD1-OG1 2.92Å; D269-T271 PolarHBondContact OD2-OG1 2.86Å; T271-K273 PolarHBondContact O-N 3.48Å; T271-K273 VanDerWaalsContact O-N 3.09Å; T271-H276 PolarHBondContact OG1-CD2 3.48Å
272	S	81.9	Confident	75.7	Confident	48 Å²	48	128.2 Å²	128.2	34%	0.336	63%	0.634	S	S	.	*			trans	-67.5	111.8	177.5	177.2	0	0	0	0	109.1	Y274 E275 H276	S272-Y274 PolarHBondContact O-N 3.28Å; S272-Y274 PolarHBondContact OG-N 2.91Å; S272-E275 PolarHBondContact O-N 3.25Å; S272-E275 PolarHBondContact OG-N 3.13Å; S272-H276 PolarHBondContact O-N 3.35Å; S272-H276 VanDerWaalsContact O-N 3.16Å
273	K	78.5	Confident	77.2	Confident	189 Å²	189	123.4 Å²	123.4	82%	0.822	62%	0.622	S	S	*	*	H	α-helix	trans	-51.4	-26.3	171.5	-66	-172.3	177.6	-171.7	0	112.6	T271 A277	T271-K273 PolarHBondContact O-N 3.48Å; T271-K273 VanDerWaalsContact O-N 3.09Å; K273-A277 VanDerWaalsContact O-CB 3.29Å; K273-A277 WeakPolarHBondContact O-CB 3.13Å; K273-A277 PolarHBondContact O-N 2.8Å; K273-A277 VanDerWaalsContact O-N 3.1Å
274	Y	82.7	Confident	78.5	Confident	165 Å²	165	123.7 Å²	123.7	65%	0.647	62%	0.616	S	S	*	*	H	α-helix	trans	-73.7	-40.3	176.3	-178.8	-97.6	0	0	0	112.8	S272 A277 M278	S272-Y274 PolarHBondContact O-N 3.28Å; S272-Y274 PolarHBondContact OG-N 2.91Å; Y274-A277 PolarHBondContact O-N 3.39Å; Y274-M278 HydrophobicContact CE1-CE 3.83Å; Y274-M278 HydrophobicContact CE2-CE 4.4Å; Y274-M278 WeakPolarHBondContact O-CB 3.46Å; Y274-M278 PolarHBondContact O-N 2.89Å; Y274-M278 WeakPolarHBondContact OH-CE 3.43Å
275	E	80.5	Confident	80	Confident	130 Å²	130	121.6 Å²	121.6	61%	0.607	60%	0.601	S	S	*	*	H	α-helix	trans	-69.2	-39.8	177.7	-70	177.6	170.6	0	0	111.5	S272 M278 T279	S272-E275 PolarHBondContact O-N 3.25Å; S272-E275 PolarHBondContact OG-N 3.13Å; E275-M278 PolarHBondContact O-N 2.84Å; E275-T279 WeakPolarHBondContact O-CB 3.48Å; E275-T279 WeakPolarHBondContact O-CG2 3.44Å; E275-T279 PolarHBondContact O-N 3.33Å; E275-T279 PolarHBondContact O-OG1 2.71Å
276	H	79.2	Confident	80.9	Confident	100 Å²	100	117.1 Å²	117.1	46%	0.463	58%	0.583	S	S	.	*	H	α-helix	trans	-62.9	-41.2	171.2	-88.2	-44.5	0	0	0	112.4	T271 S272 M278 T279 M280	T271-H276 PolarHBondContact OG1-CD2 3.48Å; S272-H276 PolarHBondContact O-N 3.35Å; S272-H276 VanDerWaalsContact O-N 3.16Å; H276-M278 VanDerWaalsContact C-N 3.34Å; H276-M278 PolarHBondContact O-N 3.31Å; H276-T279 WeakPolarHBondContact CA-OG1 3.2Å; H276-T279 PolarHBondContact O-OG1 2.79Å; H276-T279 VanDerWaalsContact O-OG1 3.09Å; H276-M280 VanDerWaalsContact O-CB 3.26Å; H276-M280 WeakPolarHBondContact O-CB 3.44Å; H276-M280 VanDerWaalsContact O-CG 3.25Å; H276-M280 WeakPolarHBondContact O-CG 3.42Å; H276-M280 PolarHBondContact O-N 3.23Å
277	A	84.6	Confident	81.9	Confident	58 Å²	58	114.4 Å²	114.4	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-65.1	-37	175.1	0	0	0	0	0	112.4	K273 Y274 K281	K273-A277 VanDerWaalsContact O-CB 3.29Å; K273-A277 WeakPolarHBondContact O-CB 3.13Å; K273-A277 PolarHBondContact O-N 2.8Å; K273-A277 VanDerWaalsContact O-N 3.1Å; Y274-A277 PolarHBondContact O-N 3.39Å; A277-K281 WeakPolarHBondContact O-CB 3.15Å; A277-K281 PolarHBondContact O-N 3.4Å
278	M	86.1	Confident	82.6	Confident	74 Å²	74	111.7 Å²	111.7	37%	0.365	56%	0.558	S	S	.	*	H	α-helix	trans	-70.2	-48.2	177.6	-163.2	73.2	83.7	0	0	111.6	Y274 E275 H276 M280 K281 D282	Y274-M278 HydrophobicContact CE1-CE 3.83Å; Y274-M278 HydrophobicContact CE2-CE 4.4Å; Y274-M278 WeakPolarHBondContact O-CB 3.46Å; Y274-M278 PolarHBondContact O-N 2.89Å; Y274-M278 WeakPolarHBondContact OH-CE 3.43Å; E275-M278 PolarHBondContact O-N 2.84Å; H276-M278 VanDerWaalsContact C-N 3.34Å; H276-M278 PolarHBondContact O-N 3.31Å; M278-M280 VanDerWaalsContact C-N 3.35Å; M278-M280 PolarHBondContact O-N 2.86Å; M278-K281 WeakPolarHBondContact O-CB 3.23Å; M278-K281 PolarHBondContact O-N 2.87Å; M278-K281 VanDerWaalsContact O-N 3.08Å; M278-D282 PolarHBondContact O-N 3.35Å
279	T	85.5	Confident	83.7	Confident	69 Å²	69	109.3 Å²	109.3	42%	0.423	54%	0.543	S	S	.	.	H	α-helix	trans	-62.1	-40.3	177.4	45	0	0	0	0	112.3	E275 H276 K281 D282 L283	E275-T279 WeakPolarHBondContact O-CB 3.48Å; E275-T279 WeakPolarHBondContact O-CG2 3.44Å; E275-T279 PolarHBondContact O-N 3.33Å; E275-T279 PolarHBondContact O-OG1 2.71Å; H276-T279 WeakPolarHBondContact CA-OG1 3.2Å; H276-T279 PolarHBondContact O-OG1 2.79Å; H276-T279 VanDerWaalsContact O-OG1 3.09Å; T279-K281 VanDerWaalsContact C-N 3.33Å; T279-K281 PolarHBondContact O-N 3.45Å; T279-D282 PolarHBondContact O-N 3.41Å; T279-L283 WeakPolarHBondContact O-CB 3.46Å; T279-L283 WeakPolarHBondContact O-CG 3.46Å; T279-L283 PolarHBondContact O-N 2.68Å
280	M	85	Confident	84.8	Confident	105 Å²	105	108.1 Å²	108.1	52%	0.517	54%	0.54	S	S	.	.	H	α-helix	trans	-62.2	-39.2	172.1	-79	-68.7	-70.7	0	0	112.3	H276 M278 Q284	H276-M280 VanDerWaalsContact O-CB 3.26Å; H276-M280 WeakPolarHBondContact O-CB 3.44Å; H276-M280 VanDerWaalsContact O-CG 3.25Å; H276-M280 WeakPolarHBondContact O-CG 3.42Å; H276-M280 PolarHBondContact O-N 3.23Å; M278-M280 VanDerWaalsContact C-N 3.35Å; M278-M280 PolarHBondContact O-N 2.86Å; M280-Q284 WeakPolarHBondContact O-CB 3.43Å; M280-Q284 VanDerWaalsContact O-CG 3.23Å; M280-Q284 WeakPolarHBondContact O-CG 3.18Å; M280-Q284 PolarHBondContact O-N 2.89Å
281	K	87	Confident	85.3	Confident	137 Å²	137	106.8 Å²	106.8	60%	0.596	53%	0.528	S	S	*	.	H	α-helix	trans	-67.4	-40.6	177	-171.7	178	-179.4	178	0	112.1	A277 M278 T279 Q284 F285	A277-K281 WeakPolarHBondContact O-CB 3.15Å; A277-K281 PolarHBondContact O-N 3.4Å; M278-K281 WeakPolarHBondContact O-CB 3.23Å; M278-K281 PolarHBondContact O-N 2.87Å; M278-K281 VanDerWaalsContact O-N 3.08Å; T279-K281 VanDerWaalsContact C-N 3.33Å; T279-K281 PolarHBondContact O-N 3.45Å; K281-Q284 PolarHBondContact O-N 2.96Å; K281-F285 WeakPolarHBondContact O-CB 3.27Å; K281-F285 PolarHBondContact O-N 3.02Å
282	D	88.1	Confident	86	Confident	99 Å²	99	109.2 Å²	109.2	53%	0.529	54%	0.535	S	S	.	.	H	α-helix	trans	-66.3	-42.6	176.4	-67.9	-21.7	0	0	0	111.3	M278 T279 F285 E286	M278-D282 PolarHBondContact O-N 3.35Å; T279-D282 PolarHBondContact O-N 3.41Å; D282-F285 PolarHBondContact O-N 2.75Å; D282-E286 WeakPolarHBondContact O-CB 3.44Å; D282-E286 PolarHBondContact O-N 2.66Å
283	L	88.4	Confident	86.4	Confident	118 Å²	118	109.5 Å²	109.5	62%	0.618	54%	0.539	S	S	*	.	H	α-helix	trans	-62.8	-41.5	173.8	-77.6	167	0	0	0	112.3	T279 E286 A287	T279-L283 WeakPolarHBondContact O-CB 3.46Å; T279-L283 WeakPolarHBondContact O-CG 3.46Å; T279-L283 PolarHBondContact O-N 2.68Å; L283-E286 PolarHBondContact O-N 2.94Å; L283-A287 VanDerWaalsContact O-CB 3.26Å; L283-A287 WeakPolarHBondContact O-CB 3.25Å; L283-A287 PolarHBondContact O-N 3.43Å
284	Q	87	Confident	86.8	Confident	114 Å²	114	107.8 Å²	107.8	53%	0.533	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-44.2	175.1	-79	174.9	-6.9	0	0	111.5	M280 K281 A287 E288	M280-Q284 WeakPolarHBondContact O-CB 3.43Å; M280-Q284 VanDerWaalsContact O-CG 3.23Å; M280-Q284 WeakPolarHBondContact O-CG 3.18Å; M280-Q284 PolarHBondContact O-N 2.89Å; K281-Q284 PolarHBondContact O-N 2.96Å; Q284-A287 PolarHBondContact O-N 3.28Å; Q284-E288 WeakPolarHBondContact O-CB 3.46Å; Q284-E288 WeakPolarHBondContact O-CG 3.26Å; Q284-E288 PolarHBondContact O-N 3.49Å
285	F	88.2	Confident	87	Confident	119 Å²	119	106 Å²	106	52%	0.522	53%	0.528	S	S	.	.	H	α-helix	trans	-63.6	-42.4	177.8	-175	-104.3	0	0	0	111.9	K281 D282 E288 R289	K281-F285 WeakPolarHBondContact O-CB 3.27Å; K281-F285 PolarHBondContact O-N 3.02Å; D282-F285 PolarHBondContact O-N 2.75Å; F285-E288 PolarHBondContact O-N 2.8Å; F285-R289 HydrophobicContact CD1-CG 4.38Å; F285-R289 HydrophobicContact CE1-CG 4.11Å; F285-R289 HydrophobicContact CZ-CG 4.27Å; F285-R289 WeakPolarHBondContact O-CB 2.92Å; F285-R289 WeakPolarHBondContact O-CG 3.47Å; F285-R289 PolarHBondContact O-N 3.1Å
286	E	88.3	Confident	87.4	Confident	97 Å²	97	105.2 Å²	105.2	45%	0.453	52%	0.524	S	S	.	.	H	α-helix	trans	-67.1	-41.5	176	-170.4	59.3	-159.6	0	0	111.7	D282 L283 E288 R289 V290	D282-E286 WeakPolarHBondContact O-CB 3.44Å; D282-E286 PolarHBondContact O-N 2.66Å; L283-E286 PolarHBondContact O-N 2.94Å; E286-E288 VanDerWaalsContact C-N 3.35Å; E286-E288 PolarHBondContact O-N 3.47Å; E286-R289 PolarHBondContact O-N 3.46Å; E286-R289 IonicContact OE2-NH1 3.04Å; E286-V290 WeakPolarHBondContact O-CG2 3.32Å; E286-V290 PolarHBondContact O-N 2.75Å
287	A	88.9	Confident	87.8	Confident	62 Å²	62	103.4 Å²	103.4	51%	0.512	53%	0.526	S	S	.	.	H	α-helix	trans	-61.8	-40.9	174.2	0	0	0	0	0	112.3	L283 Q284 K291	L283-A287 VanDerWaalsContact O-CB 3.26Å; L283-A287 WeakPolarHBondContact O-CB 3.25Å; L283-A287 PolarHBondContact O-N 3.43Å; Q284-A287 PolarHBondContact O-N 3.28Å; A287-K291 VanDerWaalsContact O-CB 3.26Å; A287-K291 WeakPolarHBondContact O-CB 3.41Å; A287-K291 PolarHBondContact O-N 3.31Å
288	E	89.1	Confident	87.7	Confident	131 Å²	131	105.2 Å²	105.2	61%	0.612	53%	0.525	S	S	*	.	H	α-helix	trans	-64.1	-42.6	173.8	-79.4	-179.7	175.2	0	0	111.9	Q284 F285 E286 K291 Q292	Q284-E288 WeakPolarHBondContact O-CB 3.46Å; Q284-E288 WeakPolarHBondContact O-CG 3.26Å; Q284-E288 PolarHBondContact O-N 3.49Å; F285-E288 PolarHBondContact O-N 2.8Å; E286-E288 VanDerWaalsContact C-N 3.35Å; E286-E288 PolarHBondContact O-N 3.47Å; E288-K291 PolarHBondContact O-N 3.36Å; E288-Q292 WeakPolarHBondContact O-CB 3.47Å; E288-Q292 PolarHBondContact O-N 2.74Å
289	R	90.5	Very high	87.7	Confident	140 Å²	140	107 Å²	107	53%	0.528	54%	0.535	S	S	.	.	H	α-helix	trans	-62.7	-46.1	176	-78.2	-174.5	70.2	-155.5	4.5	112.5	F285 E286 K291 Q292 A293	F285-R289 HydrophobicContact CD1-CG 4.38Å; F285-R289 HydrophobicContact CE1-CG 4.11Å; F285-R289 HydrophobicContact CZ-CG 4.27Å; F285-R289 WeakPolarHBondContact O-CB 2.92Å; F285-R289 WeakPolarHBondContact O-CG 3.47Å; F285-R289 PolarHBondContact O-N 3.1Å; E286-R289 PolarHBondContact O-N 3.46Å; E286-R289 IonicContact OE2-NH1 3.04Å; R289-K291 VanDerWaalsContact C-N 3.31Å; R289-K291 PolarHBondContact O-N 3.46Å; R289-Q292 PolarHBondContact O-N 3.47Å; R289-A293 WeakPolarHBondContact O-CB 3.39Å; R289-A293 PolarHBondContact O-N 3.49Å
290	V	89.5	Confident	87.9	Confident	89 Å²	89	106.7 Å²	106.7	54%	0.539	54%	0.539	S	S	.	.	H	α-helix	trans	-61.9	-42	176.2	171.3	0	0	0	0	110.4	E286 A293 K294	E286-V290 WeakPolarHBondContact O-CG2 3.32Å; E286-V290 PolarHBondContact O-N 2.75Å; V290-A293 PolarHBondContact O-N 2.83Å; V290-K294 WeakPolarHBondContact O-CB 3.46Å; V290-K294 PolarHBondContact O-N 3.25Å
291	K	87.3	Confident	87.7	Confident	134 Å²	134	104.8 Å²	104.8	58%	0.583	53%	0.529	S	S	*	.	H	α-helix	trans	-64.2	-41.2	176.3	-172.8	176.5	-175.8	174.7	0	112.4	A287 E288 R289 K295	A287-K291 VanDerWaalsContact O-CB 3.26Å; A287-K291 WeakPolarHBondContact O-CB 3.41Å; A287-K291 PolarHBondContact O-N 3.31Å; E288-K291 PolarHBondContact O-N 3.36Å; R289-K291 VanDerWaalsContact C-N 3.31Å; R289-K291 PolarHBondContact O-N 3.46Å; K291-K295 WeakPolarHBondContact O-CG 3.37Å; K291-K295 PolarHBondContact O-N 2.91Å; K291-K295 VanDerWaalsContact O-N 3.09Å
292	Q	89.5	Confident	87.5	Confident	116 Å²	116	103.6 Å²	103.6	54%	0.542	53%	0.526	S	S	.	.	H	α-helix	trans	-67	-45.5	176.7	-176.2	172.8	-9	0	0	111.2	E288 R289 K294 K295 E296	E288-Q292 WeakPolarHBondContact O-CB 3.47Å; E288-Q292 PolarHBondContact O-N 2.74Å; R289-Q292 PolarHBondContact O-N 3.47Å; Q292-K294 VanDerWaalsContact C-N 3.31Å; Q292-K294 PolarHBondContact O-N 3.3Å; Q292-K295 PolarHBondContact O-N 2.87Å; Q292-E296 HydrophobicContact CG-CG 4.4Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.31Å; Q292-E296 PolarHBondContact NE2-OE1 2.95Å; Q292-E296 WeakPolarHBondContact O-CG 3.45Å; Q292-E296 PolarHBondContact O-N 3.07Å
293	A	90	Very high	87.3	Confident	53 Å²	53	104.2 Å²	104.2	44%	0.438	53%	0.526	S	S	.	.	H	α-helix	trans	-60.2	-39.8	175.8	0	0	0	0	0	112.2	R289 V290 E296 A297	R289-A293 WeakPolarHBondContact O-CB 3.39Å; R289-A293 PolarHBondContact O-N 3.49Å; V290-A293 PolarHBondContact O-N 2.83Å; A293-E296 PolarHBondContact O-N 3.26Å; A293-A297 WeakPolarHBondContact O-CB 3.42Å; A293-A297 PolarHBondContact O-N 3.21Å
294	K	87.2	Confident	87	Confident	154 Å²	154	107 Å²	107	67%	0.67	53%	0.528	S	S	*	.	H	α-helix	trans	-61.2	-45.9	174.1	-172.5	179.1	179.1	-178.3	0	111.6	V290 Q292 A297 E298	V290-K294 WeakPolarHBondContact O-CB 3.46Å; V290-K294 PolarHBondContact O-N 3.25Å; Q292-K294 VanDerWaalsContact C-N 3.31Å; Q292-K294 PolarHBondContact O-N 3.3Å; K294-A297 PolarHBondContact O-N 3.44Å; K294-E298 WeakPolarHBondContact O-CB 3.37Å; K294-E298 PolarHBondContact O-N 3.44Å
295	K	86.8	Confident	86.7	Confident	128 Å²	128	103.9 Å²	103.9	56%	0.557	51%	0.512	S	S	*	.	H	α-helix	trans	-64.6	-41.5	176.8	-75	-177.7	174.6	-168.1	0	112.9	K291 Q292 E298 L299	K291-K295 WeakPolarHBondContact O-CG 3.37Å; K291-K295 PolarHBondContact O-N 2.91Å; K291-K295 VanDerWaalsContact O-N 3.09Å; Q292-K295 PolarHBondContact O-N 2.87Å; K295-E298 PolarHBondContact O-N 3.15Å; K295-L299 WeakPolarHBondContact O-CB 3.29Å; K295-L299 PolarHBondContact O-N 3.27Å
296	E	89.6	Confident	86.2	Confident	113 Å²	113	103.8 Å²	103.8	53%	0.528	51%	0.511	S	S	.	.	H	α-helix	trans	-65.3	-39.9	177.4	-74.3	174.7	-170.8	0	0	111.3	Q292 A293 A300	Q292-E296 HydrophobicContact CG-CG 4.4Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.31Å; Q292-E296 PolarHBondContact NE2-OE1 2.95Å; Q292-E296 WeakPolarHBondContact O-CG 3.45Å; Q292-E296 PolarHBondContact O-N 3.07Å; A293-E296 PolarHBondContact O-N 3.26Å; E296-A300 VanDerWaalsContact O-CB 3.3Å; E296-A300 WeakPolarHBondContact O-CB 3.38Å; E296-A300 PolarHBondContact O-N 2.66Å
297	A	86.7	Confident	85.7	Confident	61 Å²	61	102 Å²	102	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-64.8	-45.2	174.3	0	0	0	0	0	112.2	A293 K294 A300 E301	A293-A297 WeakPolarHBondContact O-CB 3.42Å; A293-A297 PolarHBondContact O-N 3.21Å; K294-A297 PolarHBondContact O-N 3.44Å; A297-A300 PolarHBondContact O-N 3.12Å; A297-E301 WeakPolarHBondContact O-CB 3.12Å; A297-E301 PolarHBondContact O-N 3.35Å
298	E	83.5	Confident	85.3	Confident	97 Å²	97	103 Å²	103	45%	0.453	51%	0.508	S	S	.	.	H	α-helix	trans	-60.8	-45.5	176.9	-175.3	172	-162.1	0	0	111.6	K294 K295 E301 E302	K294-E298 WeakPolarHBondContact O-CB 3.37Å; K294-E298 PolarHBondContact O-N 3.44Å; K295-E298 PolarHBondContact O-N 3.15Å; E298-E301 WeakPolarHBondContact O-CB 3.36Å; E298-E301 PolarHBondContact O-N 3.48Å; E298-E302 WeakPolarHBondContact O-CG 3.29Å; E298-E302 PolarHBondContact O-N 2.89Å
299	L	86.6	Confident	85	Confident	111 Å²	111	103 Å²	103	58%	0.581	52%	0.516	S	S	*	.	H	α-helix	trans	-66.7	-39.8	177.7	-173.2	130.1	0	0	0	112.7	K295 E301 E302 E303	K295-L299 WeakPolarHBondContact O-CB 3.29Å; K295-L299 PolarHBondContact O-N 3.27Å; L299-E301 VanDerWaalsContact C-N 3.27Å; L299-E301 PolarHBondContact O-N 2.93Å; L299-E302 PolarHBondContact O-N 3.12Å; L299-E303 PolarHBondContact O-N 3.31Å
300	A	87.7	Confident	84.8	Confident	62 Å²	62	97.1 Å²	97.1	51%	0.512	50%	0.496	S	S	.	.	H	α-helix	trans	-64.1	-35.1	175	0	0	0	0	0	111.9	E296 A297 R304	E296-A300 VanDerWaalsContact O-CB 3.3Å; E296-A300 WeakPolarHBondContact O-CB 3.38Å; E296-A300 PolarHBondContact O-N 2.66Å; A297-A300 PolarHBondContact O-N 3.12Å; A300-R304 WeakPolarHBondContact O-CB 3.39Å; A300-R304 PolarHBondContact O-N 3.25Å
301	E	82.4	Confident	84.6	Confident	65 Å²	65	96.9 Å²	96.9	30%	0.304	50%	0.496	S	S	.	.	H	α-helix	trans	-71.6	-44.6	176.1	-173.6	167.9	-158.4	0	0	112.4	A297 E298 L299 E303 R304 Y305 Y518	A297-E301 WeakPolarHBondContact O-CB 3.12Å; A297-E301 PolarHBondContact O-N 3.35Å; E298-E301 WeakPolarHBondContact O-CB 3.36Å; E298-E301 PolarHBondContact O-N 3.48Å; L299-E301 VanDerWaalsContact C-N 3.27Å; L299-E301 PolarHBondContact O-N 2.93Å; E301-E303 VanDerWaalsContact C-N 3.27Å; E301-E303 PolarHBondContact O-N 2.84Å; E301-R304 PolarHBondContact O-N 3.01Å; E301-R304 VanDerWaalsContact O-N 3.08Å; E301-Y305 HydrophobicContact CG-CD2 3.66Å; E301-Y305 HydrophobicContact CG-CE2 3.74Å; E301-Y305 VanDerWaalsContact O-CD2 3.32Å; E301-Y305 WeakPolarHBondContact O-CD2 3.45Å; E301-Y305 PolarHBondContact O-N 2.92Å; E301-Y518 WeakPolarHBondContact OE1-CE1 3.38Å; E301-Y518 PolarHBondContact OE1-OH 3.2Å; E301-Y518 PolarHBondContact OE2-OH 3.12Å
302	E	81.6	Confident	84.5	Confident	112 Å²	112	91.9 Å²	91.9	52%	0.523	48%	0.475	S	S	.	.	H	α-helix	trans	-57.1	-40.8	173	-75.7	-175.9	164.4	0	0	112.1	E298 L299 K306	E298-E302 WeakPolarHBondContact O-CG 3.29Å; E298-E302 PolarHBondContact O-N 2.89Å; L299-E302 PolarHBondContact O-N 3.12Å; E302-K306 WeakPolarHBondContact O-CA 3.24Å; E302-K306 PolarHBondContact O-N 3.47Å
303	E	84.7	Confident	84.5	Confident	112 Å²	112	92.4 Å²	92.4	52%	0.523	48%	0.476	S	S	.	.	H	α-helix	trans	-68.6	-35.7	174.8	-78.2	-65.1	136.5	0	0	112.4	L299 E301 K306	L299-E303 PolarHBondContact O-N 3.31Å; E301-E303 VanDerWaalsContact C-N 3.27Å; E301-E303 PolarHBondContact O-N 2.84Å; E303-K306 WeakPolarHBondContact O-CB 3.27Å; E303-K306 IonicContact OE1-NZ 3.14Å; E303-K306 PolarHBondContact OE1-NZ 3.47Å; E303-K306 IonicContact OE2-NZ 3.42Å; E303-K306 PolarHBondContact OE2-NZ 2.83Å
304	R	82.6	Confident	84.4	Confident	178 Å²	178	91.1 Å²	91.1	67%	0.672	47%	0.468	S	S	*	.	H	α-helix	trans	-66.9	-39.2	177	-174.8	178.1	175.8	-169.1	-7.6	112.6	A300 E301 E544	A300-R304 WeakPolarHBondContact O-CB 3.39Å; A300-R304 PolarHBondContact O-N 3.25Å; E301-R304 PolarHBondContact O-N 3.01Å; E301-R304 VanDerWaalsContact O-N 3.08Å; R304-E544 IonicContact NH2-OE1 3.71Å
305	Y	79.5	Confident	84.6	Confident	47 Å²	47	88.2 Å²	88.2	18%	0.184	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	10.9	-178.9	-63.4	-71	0	0	0	113.4	R234 E301 H543	R234-Y305 PolarHBondContact NH1-O 3.23Å; R234-Y305 PolarHBondContact NH2-O 2.85Å; E301-Y305 HydrophobicContact CG-CD2 3.66Å; E301-Y305 HydrophobicContact CG-CE2 3.74Å; E301-Y305 VanDerWaalsContact O-CD2 3.32Å; E301-Y305 WeakPolarHBondContact O-CD2 3.45Å; E301-Y305 PolarHBondContact O-N 2.92Å; Y305-H543 HydrophobicContact CD1-CB 4.13Å; Y305-H543 AromaticContact CD1-CG 3.83Å; Y305-H543 HydrophobicContact CD2-CB 4.13Å; Y305-H543 AromaticContact CD2-CD2 3.98Å; Y305-H543 HydrophobicContact CE1-CB 3.68Å; Y305-H543 AromaticContact CE1-CG 3.88Å; Y305-H543 HydrophobicContact CE2-CB 3.64Å; Y305-H543 HydrophobicContact CG-CB 4.35Å; Y305-H543 AromaticContact CG-CD2 3.84Å; Y305-H543 AromaticContact CG-CG 3.99Å; Y305-H543 VanDerWaalsContact CZ-CB 3.41Å
306	K	78.9	Confident	84.9	Confident	117 Å²	117	82.1 Å²	82.1	51%	0.509	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-51.4	136.6	174.6	-164.9	171.6	-163.2	156	0	110.7	E302 E303 T308	E302-K306 WeakPolarHBondContact O-CA 3.24Å; E302-K306 PolarHBondContact O-N 3.47Å; E303-K306 WeakPolarHBondContact O-CB 3.27Å; E303-K306 IonicContact OE1-NZ 3.14Å; E303-K306 PolarHBondContact OE1-NZ 3.47Å; E303-K306 IonicContact OE2-NZ 3.42Å; E303-K306 PolarHBondContact OE2-NZ 2.83Å; K306-T308 PolarHBondContact O-N 3.15Å
307	P	76.3	Confident	85.2	Confident	61 Å²	61	77.5 Å²	77.5	40%	0.396	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-62.5	135.4	-178.5	15	-13.3	0	0	0	108.4	R225 R234	R225-P307 VanDerWaalsContact NH2-CB 3.31Å; R234-P307 VanDerWaalsContact NH1-CA 3.34Å
308	T	81.1	Confident	85.6	Confident	82 Å²	82	74.6 Å²	74.6	50%	0.503	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-57.8	144	167.5	55.5	0	0	0	0	108.3	Y75 R225 K306 D310	Y75-T308 WeakPolarHBondContact CE1-OG1 3.37Å; Y75-T308 PolarHBondContact OH-OG1 3.46Å; R225-T308 PolarHBondContact NH1-O 3.41Å; R225-T308 PolarHBondContact NH1-OG1 2.89Å; R225-T308 PolarHBondContact NH2-O 3.46Å; R225-T308 VanDerWaalsContact NH2-O 3.17Å; K306-T308 PolarHBondContact O-N 3.15Å; T308-D310 PolarHBondContact O-N 3Å; T308-D310 VanDerWaalsContact O-N 3.16Å
309	V	83.6	Confident	86.3	Confident	131 Å²	131	70 Å²	70	79%	0.794	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-53.7	122.3	178.7	-178.2	0	0	0	0	108.5	P311	V309-P311 WeakPolarHBondContact O-CD 3.21Å
310	D	84.7	Confident	86.9	Confident	17 Å²	17	64.7 Å²	64.7	9%	0.091	34%	0.338	C	S	.	.			trans	-76.9	111.6	178.5	179.8	19.1	0	0	0	109.3	T308 L312 F313 R316	T308-D310 PolarHBondContact O-N 3Å; T308-D310 VanDerWaalsContact O-N 3.16Å; D310-L312 PolarHBondContact O-N 2.88Å; D310-L312 PolarHBondContact OD1-N 2.86Å; D310-L312 VanDerWaalsContact OD1-N 3.07Å; D310-F313 HydrophobicContact CB-CB 4.12Å; D310-F313 WeakPolarHBondContact O-CB 3.38Å; D310-F313 PolarHBondContact O-N 3.27Å; D310-F313 VanDerWaalsContact O-N 3.16Å; D310-F313 PolarHBondContact OD2-N 3.43Å; D310-R316 IonicContact OD1-CZ 2.8Å; D310-R316 IonicContact OD1-NE 2.83Å; D310-R316 PolarHBondContact OD1-NE 3.33Å; D310-R316 IonicContact OD1-NH2 3.89Å; D310-R316 PolarHBondContact OD1-NH2 3.25Å; D310-R316 IonicContact OD2-CZ 3.46Å; D310-R316 IonicContact OD2-NE 3.81Å; D310-R316 PolarHBondContact OD2-NE 2.98Å; D310-R316 IonicContact OD2-NH2 2.79Å
311	P	86.1	Confident	87.4	Confident	83 Å²	83	61.8 Å²	61.8	54%	0.539	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.7	178.4	28.4	-35.2	0	0	0	112.5	Y75 V309	Y75-P311 HydrophobicContact CE2-CG 4.15Å; V309-P311 WeakPolarHBondContact O-CD 3.21Å
312	L	86.3	Confident	88.1	Confident	29 Å²	29	58.7 Å²	58.7	15%	0.152	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	19	179	-57.1	179.2	0	0	0	112.4	T178 D310 G314 L315 R316	T178-L312 HydrophobicContact CG2-CD1 4.1Å; T178-L312 HydrophobicContact CG2-CD2 4.28Å; D310-L312 PolarHBondContact O-N 2.88Å; D310-L312 PolarHBondContact OD1-N 2.86Å; D310-L312 VanDerWaalsContact OD1-N 3.07Å; L312-G314 PolarHBondContact O-N 3.28Å; L312-L315 HydrophobicContact CD2-CD1 4.33Å; L312-L315 WeakPolarHBondContact O-CB 3.3Å; L312-L315 PolarHBondContact O-N 2.78Å; L312-R316 HydrophobicContact CB-CG 4.16Å
313	F	88.9	Confident	88.9	Confident	128 Å²	128	53.3 Å²	53.3	56%	0.561	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	125.9	179	-173.2	-93	0	0	0	110.8	T224 D310 L315 L352	T224-F313 HydrophobicContact CG2-CE2 4.05Å; D310-F313 HydrophobicContact CB-CB 4.12Å; D310-F313 WeakPolarHBondContact O-CB 3.38Å; D310-F313 PolarHBondContact O-N 3.27Å; D310-F313 VanDerWaalsContact O-N 3.16Å; D310-F313 PolarHBondContact OD2-N 3.43Å; F313-L315 VanDerWaalsContact C-N 3.27Å; F313-L315 PolarHBondContact O-N 2.79Å; F313-L352 HydrophobicContact CD1-CD1 4.26Å; F313-L352 HydrophobicContact CD2-CD1 4.18Å; F313-L352 HydrophobicContact CE1-CD1 3.95Å; F313-L352 HydrophobicContact CE1-CD2 4.12Å; F313-L352 HydrophobicContact CE2-CD1 3.87Å; F313-L352 HydrophobicContact CE2-CD2 4.14Å; F313-L352 HydrophobicContact CG-CD1 4.37Å; F313-L352 HydrophobicContact CZ-CD1 3.74Å; F313-L352 HydrophobicContact CZ-CD2 3.53Å; F313-L352 HydrophobicContact CZ-CG 4.31Å
314	G	88.6	Confident	89.4	Confident	26 Å²	26	49.1 Å²	49.1	27%	0.268	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	-1.1	-177	0	0	0	0	0	115.4	Y222 L312	Y222-G314 WeakPolarHBondContact CD1-O 3.4Å; L312-G314 PolarHBondContact O-N 3.28Å
315	L	90.9	Very high	90	Very high	92 Å²	92	43.6 Å²	43.6	48%	0.482	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-14.8	178.9	-62.3	175	0	0	0	113.3	T178 L312 F313	T178-L315 HydrophobicContact CG2-CB 4.08Å; L312-L315 HydrophobicContact CD2-CD1 4.33Å; L312-L315 WeakPolarHBondContact O-CB 3.3Å; L312-L315 PolarHBondContact O-N 2.78Å; F313-L315 VanDerWaalsContact C-N 3.27Å; F313-L315 PolarHBondContact O-N 2.79Å
316	R	92.5	Very high	90.3	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	27%	0.269	C	S	.	.			trans	-76.4	129.5	-178.9	-61.7	177.9	-173.9	-79	-0.4	110.7	S177 Y222 A223 C228 Y229 D310 L312	S177-R316 WeakPolarHBondContact O-CA 3.31Å; S177-R316 PolarHBondContact OG-NH1 3.4Å; Y222-R316 WeakPolarHBondContact CA-O 3.1Å; A223-R316 PolarHBondContact N-O 2.83Å; C228-R316 HydrophobicContact CB-CB 4.43Å; C228-R316 VanDerWaalsContact SG-CB 3.52Å; Y229-R316 VanDerWaalsContact CZ-NH1 3.34Å; Y229-R316 PolarHBondContact OH-NH1 2.84Å; D310-R316 IonicContact OD1-CZ 2.8Å; D310-R316 IonicContact OD1-NE 2.83Å; D310-R316 PolarHBondContact OD1-NE 3.33Å; D310-R316 IonicContact OD1-NH2 3.89Å; D310-R316 PolarHBondContact OD1-NH2 3.25Å; D310-R316 IonicContact OD2-CZ 3.46Å; D310-R316 IonicContact OD2-NE 3.81Å; D310-R316 PolarHBondContact OD2-NE 2.98Å; D310-R316 IonicContact OD2-NH2 2.79Å; L312-R316 HydrophobicContact CB-CG 4.16Å
317	I	95	Very high	90.8	Very high	16 Å²	16	43.9 Å²	43.9	8%	0.082	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	135.1	-178.6	-64.6	-179.4	0	0	0	109.4	L174 S177 T178 L180 F199 G221 Y222	L174-I317 HydrophobicContact CD1-CG2 4.47Å; S177-I317 PolarHBondContact O-N 3.32Å; T178-I317 VanDerWaalsContact O-CD1 3.28Å; T178-I317 WeakPolarHBondContact O-CD1 3.36Å; L180-I317 HydrophobicContact CD2-CD1 4.27Å; L180-I317 HydrophobicContact CD2-CG2 3.8Å; L180-I317 HydrophobicContact CG-CD1 3.98Å; F199-I317 HydrophobicContact CE2-CG2 3.83Å; F199-I317 HydrophobicContact CZ-CG2 3.76Å; G221-I317 WeakPolarHBondContact O-CA 3.13Å; Y222-I317 HydrophobicContact CD1-CG1 4.34Å; Y222-I317 HydrophobicContact CE1-CG1 4.19Å
318	H	96.8	Very high	91.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.9	178.5	-167.4	53	0	0	0	111.6	C198 G221 A223 C227 W320 E337	C198-H318 WeakPolarHBondContact CB-CE1 3.48Å; C198-H318 WeakPolarHBondContact CB-ND1 3.49Å; C198-H318 PolarHBondContact SG-ND1 3.4Å; G221-H318 PolarHBondContact N-O 3.38Å; G221-H318 VanDerWaalsContact N-O 3.09Å; G221-H318 PolarHBondContact O-N 2.69Å; A223-H318 HydrophobicContact CB-CB 3.71Å; C227-H318 PolarHBondContact SG-CD2 3.22Å; C227-H318 PolarHBondContact SG-NE2 3.44Å; C227-H318 VanDerWaalsContact SG-NE2 3.44Å; H318-W320 HydrophobicContact CB-CE3 4.3Å; H318-W320 HydrophobicContact CB-CZ3 4.17Å; H318-W320 AromaticContact CD2-CE3 3.78Å; H318-E337 IonicContact CD2-OE2 3.42Å; H318-E337 IonicContact CE1-OE1 3.08Å; H318-E337 IonicContact CE1-OE2 3.4Å; H318-E337 IonicContact NE2-OE1 2.82Å; H318-E337 PolarHBondContact NE2-OE1 3.2Å; H318-E337 IonicContact NE2-OE2 2.99Å; H318-E337 PolarHBondContact NE2-OE2 2.76Å
319	A	97.9	Very high	91.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.7	176.4	0	0	0	0	0	111.7	C198 F199 A202 V219 T338	C198-A319 HydrophobicContact CB-CB 4.38Å; F199-A319 HydrophobicContact CD1-CB 3.7Å; F199-A319 HydrophobicContact CD2-CB 4.15Å; F199-A319 HydrophobicContact CE1-CB 3.83Å; F199-A319 HydrophobicContact CE2-CB 4.27Å; F199-A319 HydrophobicContact CG-CB 3.87Å; F199-A319 HydrophobicContact CZ-CB 4.11Å; A202-A319 HydrophobicContact CB-CB 4.16Å; V219-A319 WeakPolarHBondContact O-CA 3.23Å; A319-T338 PolarHBondContact O-OG1 2.76Å
320	W	98.2	Very high	92.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	-175.7	179.7	63.1	97.6	0	0	0	110.2	V219 H318 F335 Y351 I354	V219-W320 HydrophobicContact CB-CD2 4Å; V219-W320 HydrophobicContact CB-CG 4.14Å; V219-W320 HydrophobicContact CB-CZ2 4.29Å; V219-W320 HydrophobicContact CG1-CD2 4.08Å; V219-W320 VanDerWaalsContact CG1-CE2 3.41Å; V219-W320 HydrophobicContact CG1-CH2 4.12Å; V219-W320 HydrophobicContact CG1-CZ2 3.47Å; V219-W320 VanDerWaalsContact CG1-CZ2 3.47Å; V219-W320 PolarHBondContact N-O 3.45Å; V219-W320 PolarHBondContact O-N 2.67Å; V219-W320 VanDerWaalsContact O-N 3.07Å; H318-W320 HydrophobicContact CB-CE3 4.3Å; H318-W320 HydrophobicContact CB-CZ3 4.17Å; H318-W320 AromaticContact CD2-CE3 3.78Å; W320-F335 AromaticContact CD1-CD1 3.48Å; W320-F335 VanDerWaalsContact CD1-CD1 3.48Å; W320-F335 AromaticContact CD1-CG 3.87Å; W320-F335 AromaticContact NE1-CD1 3.36Å; W320-F335 AromaticContact NE1-CE1 3.45Å; W320-F335 AromaticContact NE1-CG 3.82Å; W320-F335 AromaticContact NE1-CZ 3.99Å; W320-Y351 HydrophobicContact CB-CE1 4.04Å; W320-Y351 AromaticContact CD1-CZ 3.77Å; W320-Y351 AromaticContact CD2-CD1 3.66Å; W320-Y351 HydrophobicContact CD2-CD1 3.66Å; W320-Y351 AromaticContact CD2-CE1 3.46Å; W320-Y351 HydrophobicContact CD2-CE1 3.46Å; W320-Y351 VanDerWaalsContact CD2-CE1 3.46Å; W320-Y351 HydrophobicContact CD2-CG 4.32Å; W320-Y351 AromaticContact CD2-CZ 3.94Å; W320-Y351 AromaticContact CE2-CD1 3.66Å; W320-Y351 AromaticContact CE2-CE1 3.85Å; W320-Y351 AromaticContact CE2-CG 3.85Å; W320-Y351 AromaticContact CE3-CD1 3.76Å; W320-Y351 HydrophobicContact CE3-CD1 3.76Å; W320-Y351 AromaticContact CE3-CE1 3.72Å; W320-Y351 HydrophobicContact CE3-CE1 3.72Å; W320-Y351 HydrophobicContact CG-CD1 4.28Å; W320-Y351 AromaticContact CG-CE1 3.64Å; W320-Y351 HydrophobicContact CG-CE1 3.64Å; W320-Y351 HydrophobicContact CG-CE2 4.33Å; W320-Y351 AromaticContact CG-CZ 3.65Å; W320-Y351 AromaticContact CH2-CD1 3.86Å; W320-Y351 HydrophobicContact CH2-CD1 3.86Å; W320-Y351 HydrophobicContact CH2-CG 4.23Å; W320-Y351 AromaticContact CZ2-CD1 3.75Å; W320-Y351 HydrophobicContact CZ2-CD1 3.75Å; W320-Y351 HydrophobicContact CZ2-CD2 4.47Å; W320-Y351 HydrophobicContact CZ2-CE1 4.4Å; W320-Y351 AromaticContact CZ2-CG 3.8Å; W320-Y351 HydrophobicContact CZ2-CG 3.8Å; W320-Y351 AromaticContact CZ3-CD1 3.87Å; W320-Y351 HydrophobicContact CZ3-CD1 3.87Å; W320-Y351 HydrophobicContact CZ3-CE1 4.3Å; W320-I354 HydrophobicContact CH2-CG1 4.31Å; W320-I354 HydrophobicContact CZ2-CD1 4.28Å; W320-I354 HydrophobicContact CZ2-CG1 3.73Å
321	I	98.2	Very high	92.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.4	-178.3	-67.1	177	0	0	0	111	A202 L205 C206 L209 A216 Y217 V323 F335 I336 T338	A202-I321 HydrophobicContact CB-CG1 4.44Å; L205-I321 HydrophobicContact CB-CD1 3.66Å; L205-I321 HydrophobicContact CD2-CD1 3.64Å; L205-I321 HydrophobicContact CG-CD1 3.46Å; L205-I321 VanDerWaalsContact CG-CD1 3.46Å; C206-I321 HydrophobicContact CB-CD1 3.95Å; C206-I321 HydrophobicContact CB-CG1 4.44Å; L209-I321 HydrophobicContact CD1-CD1 4.08Å; L209-I321 HydrophobicContact CD1-CG2 4.11Å; A216-I321 HydrophobicContact CB-CG2 4.16Å; Y217-I321 CarbonylContact O-C 3.55Å; Y217-I321 VanDerWaalsContact O-CA 3.26Å; Y217-I321 WeakPolarHBondContact O-CA 3.38Å; I321-V323 HydrophobicContact CG2-CG2 4.01Å; I321-F335 CarbonylContact O-C 3.51Å; I321-F335 WeakPolarHBondContact O-CA 3.36Å; I321-I336 HydrophobicContact CB-CB 4.26Å; I321-I336 HydrophobicContact CG2-CD1 4.44Å; I321-I336 PolarHBondContact N-O 3.42Å; I321-I336 VanDerWaalsContact N-O 3.11Å; I321-I336 PolarHBondContact O-N 2.78Å; I321-T338 HydrophobicContact CD1-CG2 4.02Å; I321-T338 HydrophobicContact CG1-CG2 3.8Å
322	L	98	Very high	93.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.4	164.9	172.9	64.7	0	0	0	108.9	A216 Y217 V219 L324 A333 F335 L346 L357 Y379	A216-L322 CarbonylContact C-O 3.49Å; A216-L322 WeakPolarHBondContact CA-O 3.12Å; Y217-L322 PolarHBondContact N-O 3.23Å; Y217-L322 PolarHBondContact O-N 2.9Å; V219-L322 HydrophobicContact CG2-CB 3.63Å; L322-L324 HydrophobicContact CD1-CD2 4.24Å; L322-L324 HydrophobicContact CD2-CD2 4.01Å; L322-L324 HydrophobicContact CD2-CG 4.43Å; L322-L324 HydrophobicContact CG-CD2 4.12Å; L322-L324 HydrophobicContact CG-CG 4.43Å; L322-A333 HydrophobicContact CD1-CB 4.49Å; L322-F335 HydrophobicContact CB-CD1 3.99Å; L322-F335 HydrophobicContact CB-CE1 3.92Å; L322-F335 HydrophobicContact CD1-CD1 3.93Å; L322-F335 HydrophobicContact CD1-CE1 3.69Å; L322-F335 HydrophobicContact CD1-CZ 4.46Å; L322-F335 HydrophobicContact CG-CE1 4.28Å; L322-L346 HydrophobicContact CD1-CD2 3.79Å; L322-L357 HydrophobicContact CD2-CD2 4.21Å; L322-Y379 HydrophobicContact CD1-CD1 4.34Å; L322-Y379 HydrophobicContact CD2-CD1 3.81Å; L322-Y379 HydrophobicContact CD2-CE1 4.47Å
323	V	97.5	Very high	93.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.7	170.5	-175.5	0	0	0	0	108.4	Y214 D215 I321 V330 A333 F334 I336	Y214-V323 HydrophobicContact CD1-CG1 4.41Å; D215-V323 WeakPolarHBondContact O-CA 3.31Å; I321-V323 HydrophobicContact CG2-CG2 4.01Å; V323-V330 HydrophobicContact CG1-CG1 4.29Å; V323-V330 HydrophobicContact CG1-CG2 4.15Å; V323-A333 VanDerWaalsContact O-CA 3.22Å; V323-A333 WeakPolarHBondContact O-CA 3.28Å; V323-F334 HydrophobicContact CB-CD1 4.3Å; V323-F334 HydrophobicContact CB-CE1 3.88Å; V323-F334 HydrophobicContact CB-CZ 4Å; V323-F334 HydrophobicContact CG1-CE1 4Å; V323-F334 HydrophobicContact CG1-CZ 4.26Å; V323-F334 HydrophobicContact CG2-CE1 4.49Å; V323-F334 HydrophobicContact CG2-CE2 4.38Å; V323-F334 HydrophobicContact CG2-CZ 4.1Å; V323-F334 PolarHBondContact N-O 3.16Å; V323-F334 PolarHBondContact O-N 2.77Å; V323-F334 VanDerWaalsContact O-N 3.13Å; V323-I336 HydrophobicContact CG2-CD1 3.71Å; V323-I336 HydrophobicContact CG2-CG1 4.32Å
324	L	96.1	Very high	93.9	Very high	23 Å²	23	49 Å²	49	12%	0.12	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	151.9	177.4	-67.8	-177.1	0	0	0	111.8	D215 Y217 L322 A333 L381	D215-L324 HydrophobicContact CB-CB 4.3Å; D215-L324 PolarHBondContact O-N 2.85Å; Y217-L324 HydrophobicContact CD2-CD1 4.3Å; Y217-L324 HydrophobicContact CD2-CG 4.26Å; Y217-L324 HydrophobicContact CE2-CB 4.36Å; Y217-L324 HydrophobicContact CE2-CD1 3.55Å; Y217-L324 HydrophobicContact CE2-CG 3.83Å; L322-L324 HydrophobicContact CD1-CD2 4.24Å; L322-L324 HydrophobicContact CD2-CD2 4.01Å; L322-L324 HydrophobicContact CD2-CG 4.43Å; L322-L324 HydrophobicContact CG-CD2 4.12Å; L322-L324 HydrophobicContact CG-CG 4.43Å; L324-A333 HydrophobicContact CD2-CB 4.01Å; L324-L381 HydrophobicContact CD1-CD1 4.06Å; L324-L381 HydrophobicContact CD1-CG 4.31Å
325	P	94.1	Very high	94.3	Very high	62 Å²	62	47.8 Å²	47.8	40%	0.403	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	162.6	-179.1	29.8	-37.2	0	0	0	112.8	V330	P325-V330 WeakPolarHBondContact CA-O 3.43Å; P325-V330 WeakPolarHBondContact CB-O 3.36Å
326	G	86.9	Confident	94.7	Very high	72 Å²	72	43.4 Å²	43.4	74%	0.742	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.7	-23.7	168.8	0	0	0	0	0	115.8	V330	G326-V330 PolarHBondContact N-O 2.75Å; G326-V330 VanDerWaalsContact N-O 3.13Å
327	K	90	Very high	94.9	Very high	98 Å²	98	43.6 Å²	43.6	43%	0.426	24%	0.237	S	C	.	.	S	Bend	trans	-104.9	147.2	170.7	-62.5	-175	-169.1	155.9	0	110.5	G213 D215 E329 V330	G213-K327 WeakPolarHBondContact O-CB 3.44Å; D215-K327 HydrophobicContact CB-CD 3.96Å; D215-K327 HydrophobicContact CB-CG 4.39Å; D215-K327 IonicContact OD1-NZ 3.25Å; D215-K327 PolarHBondContact OD1-NZ 2.79Å; K327-E329 VanDerWaalsContact C-N 3.25Å; K327-E329 PolarHBondContact O-N 3.25Å; K327-V330 WeakPolarHBondContact O-CG2 3.19Å; K327-V330 PolarHBondContact O-N 3.37Å
328	R	90.8	Very high	95	Very high	118 Å²	118	42.9 Å²	42.9	45%	0.445	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	38	176.2	-75	-76.9	-170.4	154.4	-0.3	114.1	A212 Y214 V330	A212-R328 PolarHBondContact O-NE 3.35Å; A212-R328 PolarHBondContact O-NH2 3.34Å; Y214-R328 HydrophobicContact CD1-CB 3.56Å; Y214-R328 HydrophobicContact CD1-CG 4.08Å; Y214-R328 HydrophobicContact CD2-CG 4.29Å; Y214-R328 HydrophobicContact CE1-CB 3.31Å; Y214-R328 HydrophobicContact CE1-CG 4.01Å; Y214-R328 HydrophobicContact CE2-CB 4.4Å; Y214-R328 HydrophobicContact CE2-CG 4.23Å; Y214-R328 HydrophobicContact CG-CB 4.2Å; Y214-R328 HydrophobicContact CG-CG 4.21Å; R328-V330 PolarHBondContact O-N 3.46Å
329	E	89.1	Confident	94.9	Very high	194 Å²	194	42.9 Å²	42.9	91%	0.907	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	23.9	177.2	-56.5	177.2	176.8	0	0	114.5	K327 P331	K327-E329 VanDerWaalsContact C-N 3.25Å; K327-E329 PolarHBondContact O-N 3.25Å; E329-P331 VanDerWaalsContact O-CD 3.26Å; E329-P331 WeakPolarHBondContact O-CD 3.39Å
330	V	92	Very high	94.7	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.067	24%	0.24	C	C	.	.			trans	-74.5	115.3	173.1	177.1	0	0	0	0	109.5	Y214 V323 P325 G326 K327 R328 E332 F334	Y214-V330 HydrophobicContact CD1-CG2 3.84Å; Y214-V330 HydrophobicContact CE1-CG2 3.81Å; V323-V330 HydrophobicContact CG1-CG1 4.29Å; V323-V330 HydrophobicContact CG1-CG2 4.15Å; P325-V330 WeakPolarHBondContact CA-O 3.43Å; P325-V330 WeakPolarHBondContact CB-O 3.36Å; G326-V330 PolarHBondContact N-O 2.75Å; G326-V330 VanDerWaalsContact N-O 3.13Å; K327-V330 WeakPolarHBondContact O-CG2 3.19Å; K327-V330 PolarHBondContact O-N 3.37Å; R328-V330 PolarHBondContact O-N 3.46Å; V330-E332 WeakPolarHBondContact CG1-O 3.48Å; V330-F334 HydrophobicContact CG1-CD1 4.1Å; V330-F334 HydrophobicContact CG1-CE1 3.69Å; V330-F334 HydrophobicContact CG2-CE1 4.42Å
331	P	92.7	Very high	94.5	Very high	114 Å²	114	44.3 Å²	44.3	74%	0.74	24%	0.243	S	C	*	.			trans	-78.9	-37.9	-173.8	30.2	-33.6	0	0	0	112.8	E329	E329-P331 VanDerWaalsContact O-CD 3.26Å; E329-P331 WeakPolarHBondContact O-CD 3.39Å
332	E	94	Very high	94.3	Very high	152 Å²	152	48.1 Å²	48.1	71%	0.71	26%	0.264	S	S	*	.	S	Bend	trans	-135.4	154.3	-174.9	-65.1	-177.7	179.6	0	0	109.9	V330	V330-E332 WeakPolarHBondContact CG1-O 3.48Å
333	A	95.5	Very high	94.2	Very high	23 Å²	23	50.3 Å²	50.3	19%	0.19	28%	0.282	C	S	.	.			trans	-71	140.9	175	0	0	0	0	0	110.7	L322 V323 L324 L346	L322-A333 HydrophobicContact CD1-CB 4.49Å; V323-A333 VanDerWaalsContact O-CA 3.22Å; V323-A333 WeakPolarHBondContact O-CA 3.28Å; L324-A333 HydrophobicContact CD2-CB 4.01Å; A333-L346 HydrophobicContact CB-CD1 3.87Å; A333-L346 HydrophobicContact CB-CD2 4.4Å
334	F	97.1	Very high	94.1	Very high	28 Å²	28	52.1 Å²	52.1	12%	0.123	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	162.1	177.2	66.8	-81.7	0	0	0	111	W158 V323 V330 I336 A343	W158-F334 AromaticContact CD2-CE2 3.96Å; W158-F334 HydrophobicContact CD2-CE2 3.96Å; W158-F334 AromaticContact CD2-CZ 3.73Å; W158-F334 HydrophobicContact CD2-CZ 3.73Å; W158-F334 AromaticContact CE2-CZ 3.76Å; W158-F334 AromaticContact CE3-CE2 3.83Å; W158-F334 HydrophobicContact CE3-CE2 3.83Å; W158-F334 HydrophobicContact CE3-CZ 4.09Å; W158-F334 HydrophobicContact CG-CZ 4.14Å; W158-F334 HydrophobicContact CH2-CE2 4.07Å; W158-F334 HydrophobicContact CZ2-CE2 4.13Å; W158-F334 HydrophobicContact CZ2-CZ 4.19Å; W158-F334 AromaticContact CZ3-CE2 3.9Å; W158-F334 HydrophobicContact CZ3-CE2 3.9Å; W158-F334 HydrophobicContact CZ3-CZ 4.49Å; V323-F334 HydrophobicContact CB-CD1 4.3Å; V323-F334 HydrophobicContact CB-CE1 3.88Å; V323-F334 HydrophobicContact CB-CZ 4Å; V323-F334 HydrophobicContact CG1-CE1 4Å; V323-F334 HydrophobicContact CG1-CZ 4.26Å; V323-F334 HydrophobicContact CG2-CE1 4.49Å; V323-F334 HydrophobicContact CG2-CE2 4.38Å; V323-F334 HydrophobicContact CG2-CZ 4.1Å; V323-F334 PolarHBondContact N-O 3.16Å; V323-F334 PolarHBondContact O-N 2.77Å; V323-F334 VanDerWaalsContact O-N 3.13Å; V330-F334 HydrophobicContact CG1-CD1 4.1Å; V330-F334 HydrophobicContact CG1-CE1 3.69Å; V330-F334 HydrophobicContact CG2-CE1 4.42Å; F334-I336 HydrophobicContact CD2-CG1 4.09Å; F334-I336 HydrophobicContact CE2-CD1 3.97Å; F334-I336 HydrophobicContact CE2-CG1 3.57Å; F334-I336 HydrophobicContact CZ-CD1 4.49Å; F334-A343 HydrophobicContact CD2-CB 3.75Å; F334-A343 HydrophobicContact CE2-CB 4.03Å
335	F	97.7	Very high	94.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	153.1	172.5	-65.7	-56.5	0	0	0	111.5	V219 W320 I321 L322 A343 K344 L346 Y351 I354 I374 Y379	V219-F335 HydrophobicContact CG2-CE1 4.27Å; W320-F335 AromaticContact CD1-CD1 3.48Å; W320-F335 VanDerWaalsContact CD1-CD1 3.48Å; W320-F335 AromaticContact CD1-CG 3.87Å; W320-F335 AromaticContact NE1-CD1 3.36Å; W320-F335 AromaticContact NE1-CE1 3.45Å; W320-F335 AromaticContact NE1-CG 3.82Å; W320-F335 AromaticContact NE1-CZ 3.99Å; I321-F335 CarbonylContact O-C 3.51Å; I321-F335 WeakPolarHBondContact O-CA 3.36Å; L322-F335 HydrophobicContact CB-CD1 3.99Å; L322-F335 HydrophobicContact CB-CE1 3.92Å; L322-F335 HydrophobicContact CD1-CD1 3.93Å; L322-F335 HydrophobicContact CD1-CE1 3.69Å; L322-F335 HydrophobicContact CD1-CZ 4.46Å; L322-F335 HydrophobicContact CG-CE1 4.28Å; F335-A343 CarbonylContact O-C 3.35Å; F335-A343 VanDerWaalsContact O-CA 3.31Å; F335-A343 WeakPolarHBondContact O-CA 3.5Å; F335-K344 HydrophobicContact CB-CB 4.3Å; F335-K344 PolarHBondContact N-O 2.92Å; F335-K344 PolarHBondContact O-N 3.28Å; F335-L346 HydrophobicContact CD1-CD2 4.36Å; F335-L346 HydrophobicContact CD2-CD2 3.91Å; F335-L346 HydrophobicContact CE1-CD2 4.13Å; F335-L346 HydrophobicContact CE2-CB 4.31Å; F335-L346 HydrophobicContact CE2-CD2 3.63Å; F335-L346 HydrophobicContact CG-CD2 4.27Å; F335-L346 HydrophobicContact CZ-CD2 3.75Å; F335-Y351 HydrophobicContact CB-CE2 3.88Å; F335-Y351 AromaticContact CD2-CD2 3.89Å; F335-Y351 HydrophobicContact CD2-CD2 3.89Å; F335-Y351 AromaticContact CD2-CE2 3.89Å; F335-Y351 HydrophobicContact CD2-CE2 3.89Å; F335-Y351 HydrophobicContact CE2-CD2 4.3Å; F335-Y351 HydrophobicContact CG-CD2 4.4Å; F335-Y351 HydrophobicContact CG-CE2 4.02Å; F335-I354 HydrophobicContact CE1-CD1 4.42Å; F335-I354 HydrophobicContact CZ-CD1 3.98Å; F335-I374 HydrophobicContact CD2-CD1 4.44Å; F335-I374 HydrophobicContact CE2-CD1 3.5Å; F335-I374 HydrophobicContact CZ-CD1 3.98Å; F335-Y379 HydrophobicContact CE1-CE1 4.24Å; F335-Y379 AromaticContact CZ-CE1 3.7Å; F335-Y379 HydrophobicContact CZ-CE1 3.7Å; F335-Y379 AromaticContact CZ-CZ 3.76Å; F335-Y379 WeakPolarHBondContact CZ-OH 3.48Å
336	I	98	Very high	94.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.4	166.8	-57.8	168.9	0	0	0	107.5	W158 A162 L205 L209 I321 V323 F334 T338	W158-I336 HydrophobicContact CE3-CD1 3.71Å; W158-I336 HydrophobicContact CE3-CG1 4.08Å; W158-I336 HydrophobicContact CZ3-CD1 4.38Å; W158-I336 HydrophobicContact CZ3-CG1 4.26Å; A162-I336 HydrophobicContact CB-CG2 3.79Å; L205-I336 HydrophobicContact CD2-CG2 4.03Å; L209-I336 HydrophobicContact CD1-CD1 3.92Å; I321-I336 HydrophobicContact CB-CB 4.26Å; I321-I336 HydrophobicContact CG2-CD1 4.44Å; I321-I336 PolarHBondContact N-O 3.42Å; I321-I336 VanDerWaalsContact N-O 3.11Å; I321-I336 PolarHBondContact O-N 2.78Å; V323-I336 HydrophobicContact CG2-CD1 3.71Å; V323-I336 HydrophobicContact CG2-CG1 4.32Å; F334-I336 HydrophobicContact CD2-CG1 4.09Å; F334-I336 HydrophobicContact CE2-CD1 3.97Å; F334-I336 HydrophobicContact CE2-CG1 3.57Å; F334-I336 HydrophobicContact CZ-CD1 4.49Å; I336-T338 PolarHBondContact O-N 2.8Å
337	E	97.2	Very high	94.4	Very high	5 Å²	5	55.1 Å²	55.1	2%	0.023	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	114.9	167.3	174.1	47.5	-107.4	0	0	108.1	C227 H318 L339 T340 G341 L342 K344 Y351	C227-E337 PolarHBondContact SG-OE2 2.8Å; H318-E337 IonicContact CD2-OE2 3.42Å; H318-E337 IonicContact CE1-OE1 3.08Å; H318-E337 IonicContact CE1-OE2 3.4Å; H318-E337 IonicContact NE2-OE1 2.82Å; H318-E337 PolarHBondContact NE2-OE1 3.2Å; H318-E337 IonicContact NE2-OE2 2.99Å; H318-E337 PolarHBondContact NE2-OE2 2.76Å; E337-L339 PolarHBondContact O-N 2.75Å; E337-L339 PolarHBondContact OE1-N 2.71Å; E337-T340 HydrophobicContact CG-CG2 4.25Å; E337-T340 VanDerWaalsContact CG-OG1 3.29Å; E337-T340 WeakPolarHBondContact CG-OG1 3.26Å; E337-G341 VanDerWaalsContact O-CA 3.31Å; E337-G341 WeakPolarHBondContact O-CA 3.46Å; E337-G341 PolarHBondContact O-N 3.35Å; E337-L342 PolarHBondContact N-O 3.14Å; E337-K344 HydrophobicContact CB-CG 4.36Å; E337-Y351 WeakPolarHBondContact CA-OH 3.43Å; E337-Y351 PolarHBondContact OE2-OH 3.15Å
338	T	96.5	Very high	94.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-30.2	-168.2	64.1	0	0	0	0	112.4	Y201 A202 L205 A319 I321 I336	Y201-T338 WeakPolarHBondContact CD1-O 3.24Å; A202-T338 HydrophobicContact CB-CG2 3.93Å; L205-T338 HydrophobicContact CD2-CG2 4.29Å; A319-T338 PolarHBondContact O-OG1 2.76Å; I321-T338 HydrophobicContact CD1-CG2 4.02Å; I321-T338 HydrophobicContact CG1-CG2 3.8Å; I336-T338 PolarHBondContact O-N 2.8Å
339	L	95.8	Very high	94.6	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-35.4	-179.1	-60.7	-175.6	0	0	0	112.6	A166 F171 C198 Y201 M230 E337	A166-L339 WeakPolarHBondContact CB-O 3.46Å; F171-L339 HydrophobicContact CD2-CD1 3.76Å; F171-L339 HydrophobicContact CD2-CD2 3.59Å; F171-L339 HydrophobicContact CD2-CG 4.34Å; F171-L339 HydrophobicContact CE2-CD1 3.64Å; F171-L339 HydrophobicContact CE2-CD2 4.14Å; F171-L339 HydrophobicContact CG-CD1 4.46Å; F171-L339 HydrophobicContact CG-CD2 4.42Å; F171-L339 HydrophobicContact CZ-CD1 4.26Å; C198-L339 HydrophobicContact CB-CD2 4.44Å; Y201-L339 HydrophobicContact CD1-CD2 3.85Å; Y201-L339 HydrophobicContact CD2-CD2 3.87Å; Y201-L339 HydrophobicContact CE1-CD2 3.99Å; Y201-L339 HydrophobicContact CE2-CD2 4Å; Y201-L339 HydrophobicContact CG-CD2 3.76Å; M230-L339 HydrophobicContact CB-CB 4.36Å; M230-L339 HydrophobicContact CB-CD1 4.07Å; M230-L339 VanDerWaalsContact CE-O 3.27Å; M230-L339 WeakPolarHBondContact CE-O 3.43Å; M230-L339 HydrophobicContact CG-CB 4.06Å; M230-L339 HydrophobicContact SD-CB 4.07Å; E337-L339 PolarHBondContact O-N 2.75Å; E337-L339 PolarHBondContact OE1-N 2.71Å
340	T	93.6	Very high	94.7	Very high	21 Å²	21	43 Å²	43	13%	0.129	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-23.6	-179.9	61.1	0	0	0	0	113.1	M230 E337 L342	M230-T340 HydrophobicContact CG-CG2 4.47Å; E337-T340 HydrophobicContact CG-CG2 4.25Å; E337-T340 VanDerWaalsContact CG-OG1 3.29Å; E337-T340 WeakPolarHBondContact CG-OG1 3.26Å; T340-L342 VanDerWaalsContact C-N 3.32Å; T340-L342 PolarHBondContact OG1-N 3.35Å
341	G	94.1	Very high	94.9	Very high	8 Å²	8	42.6 Å²	42.6	8%	0.082	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	10.8	-175.7	0	0	0	0	0	114	A162 E337	A162-G341 WeakPolarHBondContact CB-O 3.31Å; E337-G341 VanDerWaalsContact O-CA 3.31Å; E337-G341 WeakPolarHBondContact O-CA 3.46Å; E337-G341 PolarHBondContact O-N 3.35Å
342	L	94.3	Very high	95	Very high	81 Å²	81	38.6 Å²	38.6	42%	0.424	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	141.7	-175.4	-62.7	175.8	0	0	0	112	E337 T340	E337-L342 PolarHBondContact N-O 3.14Å; T340-L342 VanDerWaalsContact C-N 3.32Å; T340-L342 PolarHBondContact OG1-N 3.35Å
343	A	96.1	Very high	95	Very high	46 Å²	46	31.4 Å²	31.4	38%	0.38	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	141.8	167	0	0	0	0	0	111	W158 F334 F335	W158-A343 HydrophobicContact CH2-CB 3.43Å; W158-A343 VanDerWaalsContact CH2-CB 3.43Å; W158-A343 HydrophobicContact CZ2-CB 4.32Å; W158-A343 HydrophobicContact CZ3-CB 3.84Å; F334-A343 HydrophobicContact CD2-CB 3.75Å; F334-A343 HydrophobicContact CE2-CB 4.03Å; F335-A343 CarbonylContact O-C 3.35Å; F335-A343 VanDerWaalsContact O-CA 3.31Å; F335-A343 WeakPolarHBondContact O-CA 3.5Å
344	K	95.2	Very high	95	Very high	37 Å²	37	30.5 Å²	30.5	16%	0.161	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.3	176.3	-60.9	-67.5	177.4	166.6	0	108.9	F335 E337 C348 M350 Y351	F335-K344 HydrophobicContact CB-CB 4.3Å; F335-K344 PolarHBondContact N-O 2.92Å; F335-K344 PolarHBondContact O-N 3.28Å; E337-K344 HydrophobicContact CB-CG 4.36Å; K344-C348 HydrophobicContact CB-CB 4.12Å; K344-M350 HydrophobicContact CD-CE 3.7Å; K344-M350 VanDerWaalsContact CE-CE 3.42Å; K344-M350 HydrophobicContact CG-CE 4.1Å; K344-Y351 HydrophobicContact CB-CE2 4.32Å
345	P	95.9	Very high	94.9	Very high	73 Å²	73	30.7 Å²	30.7	47%	0.474	18%	0.18	S	C	.	.			trans	-69.4	164	176.5	33.3	-37.8	0	0	0	111	D347 C348	P345-D347 WeakPolarHBondContact CB-OD1 3.46Å; P345-D347 VanDerWaalsContact CG-OD1 3.22Å; P345-D347 WeakPolarHBondContact CG-OD1 3.31Å; P345-D347 PolarHBondContact O-N 3.32Å; P345-C348 VanDerWaalsContact O-CB 3.23Å; P345-C348 WeakPolarHBondContact O-CB 3.45Å; P345-C348 PolarHBondContact O-N 3.41Å
346	L	94.1	Very high	94.8	Very high	43 Å²	43	30.8 Å²	30.8	23%	0.225	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.4	-176.9	-64	178.4	0	0	0	114	L322 A333 F335 C348 Y379	L322-L346 HydrophobicContact CD1-CD2 3.79Å; A333-L346 HydrophobicContact CB-CD1 3.87Å; A333-L346 HydrophobicContact CB-CD2 4.4Å; F335-L346 HydrophobicContact CD1-CD2 4.36Å; F335-L346 HydrophobicContact CD2-CD2 3.91Å; F335-L346 HydrophobicContact CE1-CD2 4.13Å; F335-L346 HydrophobicContact CE2-CB 4.31Å; F335-L346 HydrophobicContact CE2-CD2 3.63Å; F335-L346 HydrophobicContact CG-CD2 4.27Å; F335-L346 HydrophobicContact CZ-CD2 3.75Å; L346-C348 VanDerWaalsContact C-N 3.33Å; L346-Y379 HydrophobicContact CB-CE2 4.11Å; L346-Y379 HydrophobicContact CD1-CD2 3.78Å; L346-Y379 HydrophobicContact CD1-CE2 3.88Å; L346-Y379 HydrophobicContact CD2-CD2 4.47Å; L346-Y379 HydrophobicContact CD2-CE2 4.17Å; L346-Y379 HydrophobicContact CG-CE2 4.29Å
347	D	92.9	Very high	94.7	Very high	105 Å²	105	30.9 Å²	30.9	56%	0.561	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	16.2	176.5	65.8	-16.6	0	0	0	112.9	P345	P345-D347 WeakPolarHBondContact CB-OD1 3.46Å; P345-D347 VanDerWaalsContact CG-OD1 3.22Å; P345-D347 WeakPolarHBondContact CG-OD1 3.31Å; P345-D347 PolarHBondContact O-N 3.32Å
348	C	92.1	Very high	94.7	Very high	7 Å²	7	30.7 Å²	30.7	5%	0.047	18%	0.18	C	C	.	.			trans	-58.9	123	-177	-174	0	0	0	0	111.7	K344 P345 L346 M350 Y351	K344-C348 HydrophobicContact CB-CB 4.12Å; P345-C348 VanDerWaalsContact O-CB 3.23Å; P345-C348 WeakPolarHBondContact O-CB 3.45Å; P345-C348 PolarHBondContact O-N 3.41Å; L346-C348 VanDerWaalsContact C-N 3.33Å; C348-M350 PolarHBondContact O-N 3.26Å; C348-M350 VanDerWaalsContact O-N 3.14Å; C348-M350 VanDerWaalsContact SG-CE 3.58Å; C348-Y351 HydrophobicContact CB-CD2 4.01Å; C348-Y351 HydrophobicContact CB-CE2 4.33Å; C348-Y351 PolarHBondContact O-N 3.44Å
349	P	92.3	Very high	94.7	Very high	111 Å²	111	30.9 Å²	30.9	72%	0.721	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-10.8	-175.1	28.3	-36.3	0	0	0	114.1	Y351	P349-Y351 VanDerWaalsContact C-N 3.33Å
350	M	92.9	Very high	94.5	Very high	36 Å²	36	32 Å²	32	18%	0.177	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-26	178.9	-60.2	-170.5	-60.4	0	0	112.6	A223 T224 C227 K344 C348	A223-M350 CarbonylContact C-O 3.56Å; A223-M350 WeakPolarHBondContact CA-O 3.5Å; A223-M350 WeakPolarHBondContact CB-O 3.29Å; T224-M350 PolarHBondContact N-O 3.02Å; C227-M350 HydrophobicContact CB-CB 4.27Å; C227-M350 HydrophobicContact CB-SD 4.5Å; K344-M350 HydrophobicContact CD-CE 3.7Å; K344-M350 VanDerWaalsContact CE-CE 3.42Å; K344-M350 HydrophobicContact CG-CE 4.1Å; C348-M350 PolarHBondContact O-N 3.26Å; C348-M350 VanDerWaalsContact O-N 3.14Å; C348-M350 VanDerWaalsContact SG-CE 3.58Å
351	Y	95.3	Very high	94.4	Very high	3 Å²	3	35 Å²	35	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.6	178.5	-57.8	-51.6	0	0	0	109.2	A223 W320 F335 E337 K344 C348 P349 I374	A223-Y351 HydrophobicContact CB-CD1 4.16Å; W320-Y351 HydrophobicContact CB-CE1 4.04Å; W320-Y351 AromaticContact CD1-CZ 3.77Å; W320-Y351 AromaticContact CD2-CD1 3.66Å; W320-Y351 HydrophobicContact CD2-CD1 3.66Å; W320-Y351 AromaticContact CD2-CE1 3.46Å; W320-Y351 HydrophobicContact CD2-CE1 3.46Å; W320-Y351 VanDerWaalsContact CD2-CE1 3.46Å; W320-Y351 HydrophobicContact CD2-CG 4.32Å; W320-Y351 AromaticContact CD2-CZ 3.94Å; W320-Y351 AromaticContact CE2-CD1 3.66Å; W320-Y351 AromaticContact CE2-CE1 3.85Å; W320-Y351 AromaticContact CE2-CG 3.85Å; W320-Y351 AromaticContact CE3-CD1 3.76Å; W320-Y351 HydrophobicContact CE3-CD1 3.76Å; W320-Y351 AromaticContact CE3-CE1 3.72Å; W320-Y351 HydrophobicContact CE3-CE1 3.72Å; W320-Y351 HydrophobicContact CG-CD1 4.28Å; W320-Y351 AromaticContact CG-CE1 3.64Å; W320-Y351 HydrophobicContact CG-CE1 3.64Å; W320-Y351 HydrophobicContact CG-CE2 4.33Å; W320-Y351 AromaticContact CG-CZ 3.65Å; W320-Y351 AromaticContact CH2-CD1 3.86Å; W320-Y351 HydrophobicContact CH2-CD1 3.86Å; W320-Y351 HydrophobicContact CH2-CG 4.23Å; W320-Y351 AromaticContact CZ2-CD1 3.75Å; W320-Y351 HydrophobicContact CZ2-CD1 3.75Å; W320-Y351 HydrophobicContact CZ2-CD2 4.47Å; W320-Y351 HydrophobicContact CZ2-CE1 4.4Å; W320-Y351 AromaticContact CZ2-CG 3.8Å; W320-Y351 HydrophobicContact CZ2-CG 3.8Å; W320-Y351 AromaticContact CZ3-CD1 3.87Å; W320-Y351 HydrophobicContact CZ3-CD1 3.87Å; W320-Y351 HydrophobicContact CZ3-CE1 4.3Å; F335-Y351 HydrophobicContact CB-CE2 3.88Å; F335-Y351 AromaticContact CD2-CD2 3.89Å; F335-Y351 HydrophobicContact CD2-CD2 3.89Å; F335-Y351 AromaticContact CD2-CE2 3.89Å; F335-Y351 HydrophobicContact CD2-CE2 3.89Å; F335-Y351 HydrophobicContact CE2-CD2 4.3Å; F335-Y351 HydrophobicContact CG-CD2 4.4Å; F335-Y351 HydrophobicContact CG-CE2 4.02Å; E337-Y351 WeakPolarHBondContact CA-OH 3.43Å; E337-Y351 PolarHBondContact OE2-OH 3.15Å; K344-Y351 HydrophobicContact CB-CE2 4.32Å; C348-Y351 HydrophobicContact CB-CD2 4.01Å; C348-Y351 HydrophobicContact CB-CE2 4.33Å; C348-Y351 PolarHBondContact O-N 3.44Å; P349-Y351 VanDerWaalsContact C-N 3.33Å; Y351-I374 VanDerWaalsContact CB-CD1 3.45Å; Y351-I374 HydrophobicContact CD2-CD1 4.15Å; Y351-I374 HydrophobicContact CG-CD1 4.26Å
352	L	94.5	Very high	94.4	Very high	30 Å²	30	34.6 Å²	34.6	16%	0.157	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-24.7	-169.3	-57	178.4	0	0	0	112.5	Y222 T224 F313	Y222-L352 PolarHBondContact O-N 2.76Å; T224-L352 HydrophobicContact CG2-CD1 4.31Å; T224-L352 HydrophobicContact CG2-CD2 4.11Å; T224-L352 HydrophobicContact CG2-CG 4.33Å; F313-L352 HydrophobicContact CD1-CD1 4.26Å; F313-L352 HydrophobicContact CD2-CD1 4.18Å; F313-L352 HydrophobicContact CE1-CD1 3.95Å; F313-L352 HydrophobicContact CE1-CD2 4.12Å; F313-L352 HydrophobicContact CE2-CD1 3.87Å; F313-L352 HydrophobicContact CE2-CD2 4.14Å; F313-L352 HydrophobicContact CG-CD1 4.37Å; F313-L352 HydrophobicContact CZ-CD1 3.74Å; F313-L352 HydrophobicContact CZ-CD2 3.53Å; F313-L352 HydrophobicContact CZ-CG 4.31Å
353	G	94.2	Very high	94.4	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	155.7	176.8	0	0	0	0	0	112.5	G221 Y222	G221-G353 CarbonylContact C-O 3.58Å; G221-G353 VanDerWaalsContact CA-O 3.22Å; G221-G353 WeakPolarHBondContact CA-O 3.38Å; Y222-G353 PolarHBondContact N-O 2.98Å; Y222-G353 PolarHBondContact O-N 3.37Å
354	I	95.5	Very high	94.4	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.7	177	-63.5	172.3	0	0	0	108.9	V219 W320 F335 N366 I374 L377 Y379 W387	V219-I354 HydrophobicContact CG1-CB 4.29Å; V219-I354 HydrophobicContact CG1-CD1 3.96Å; V219-I354 HydrophobicContact CG1-CG1 3.76Å; V219-I354 HydrophobicContact CG1-CG2 3.65Å; W320-I354 HydrophobicContact CH2-CG1 4.31Å; W320-I354 HydrophobicContact CZ2-CD1 4.28Å; W320-I354 HydrophobicContact CZ2-CG1 3.73Å; F335-I354 HydrophobicContact CE1-CD1 4.42Å; F335-I354 HydrophobicContact CZ-CD1 3.98Å; I354-N366 HydrophobicContact CG2-CB 4.47Å; I354-N366 VanDerWaalsContact O-CB 3.29Å; I354-N366 WeakPolarHBondContact O-CB 3.23Å; I354-N366 PolarHBondContact O-ND2 3.23Å; I354-I374 HydrophobicContact CD1-CD1 4.48Å; I354-I374 HydrophobicContact CD1-CG2 4.43Å; I354-I374 HydrophobicContact CG1-CG2 4.11Å; I354-L377 HydrophobicContact CB-CD1 4.47Å; I354-L377 HydrophobicContact CD1-CD1 4.12Å; I354-L377 HydrophobicContact CG1-CD1 4.48Å; I354-Y379 HydrophobicContact CD1-CE1 3.98Å; I354-W387 HydrophobicContact CG2-CH2 3.9Å; I354-W387 HydrophobicContact CG2-CZ3 4.31Å
355	E	94.3	Very high	94.4	Very high	32 Å²	32	27.6 Å²	27.6	15%	0.15	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-44.5	176.4	-71	-69.6	180	0	0	111.4	R124 S220 Y222 N366	R124-E355 IonicContact CZ-OE2 2.67Å; R124-E355 IonicContact NE-OE2 3.03Å; R124-E355 PolarHBondContact NE-OE2 3.42Å; R124-E355 IonicContact NH2-OE2 3.38Å; R124-E355 PolarHBondContact NH2-OE2 3.39Å; S220-E355 PolarHBondContact O-N 3.05Å; Y222-E355 HydrophobicContact CE2-CG 3.61Å; Y222-E355 WeakPolarHBondContact CE2-OE1 3.27Å; Y222-E355 VanDerWaalsContact CZ-OE1 3.29Å; Y222-E355 PolarHBondContact OH-OE1 3.16Å; E355-N366 PolarHBondContact O-N 3.27Å
356	S	95.9	Very high	94.3	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.014	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	159.3	-176.1	59.1	0	0	0	0	112.1	S220 Y363 W364	S220-S356 PolarHBondContact N-O 2.83Å; S220-S356 PolarHBondContact O-N 3.07Å; S220-S356 VanDerWaalsContact O-N 3.16Å; S356-Y363 VanDerWaalsContact CB-CZ 3.44Å; S356-Y363 WeakPolarHBondContact CB-OH 3.35Å; S356-Y363 PolarHBondContact OG-OH 2.95Å; S356-W364 CarbonylContact C-O 3.57Å; S356-W364 VanDerWaalsContact CA-O 3.24Å; S356-W364 WeakPolarHBondContact CA-O 3.44Å; S356-W364 WeakPolarHBondContact CB-O 3.28Å
357	L	96.7	Very high	94.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153	167.8	61.2	86.7	0	0	0	111.1	Y217 I218 V219 L322 W364 L381 W387	Y217-L357 HydrophobicContact CD1-CD1 3.68Å; Y217-L357 HydrophobicContact CE1-CD1 4.39Å; Y217-L357 HydrophobicContact CG-CD1 4.2Å; I218-L357 CarbonylContact O-C 3.51Å; I218-L357 WeakPolarHBondContact O-CA 3.34Å; I218-L357 WeakPolarHBondContact O-CB 3.37Å; V219-L357 HydrophobicContact CG2-CB 4.38Å; L322-L357 HydrophobicContact CD2-CD2 4.21Å; L357-W364 HydrophobicContact CD1-CB 3.8Å; L357-W364 HydrophobicContact CD1-CD2 3.91Å; L357-W364 HydrophobicContact CD1-CE3 3.55Å; L357-W364 HydrophobicContact CD1-CG 4.07Å; L357-W364 HydrophobicContact CD1-CZ3 4.33Å; L357-W364 HydrophobicContact CG-CB 4.12Å; L357-W364 PolarHBondContact N-O 3.05Å; L357-W364 PolarHBondContact O-N 2.84Å; L357-L381 HydrophobicContact CD1-CD1 3.68Å; L357-L381 HydrophobicContact CD1-CD2 3.85Å; L357-L381 HydrophobicContact CD1-CG 4.43Å; L357-L381 HydrophobicContact CD2-CD2 3.67Å; L357-L381 HydrophobicContact CG-CD2 4.32Å; L357-W387 HydrophobicContact CD2-CD2 4.42Å; L357-W387 HydrophobicContact CD2-CE3 3.92Å; L357-W387 HydrophobicContact CD2-CH2 3.31Å; L357-W387 HydrophobicContact CD2-CZ2 3.87Å; L357-W387 HydrophobicContact CD2-CZ3 3.33Å; L357-W387 HydrophobicContact CG-CE3 4.16Å; L357-W387 HydrophobicContact CG-CH2 4.2Å; L357-W387 HydrophobicContact CG-CZ3 3.72Å
358	W	97.1	Very high	94.2	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	157.7	177.4	67.3	93.4	0	0	0	112.7	F128 V141 F199 Y217 I218 N362 Y363	F128-W358 AromaticContact CD1-CH2 3.8Å; F128-W358 HydrophobicContact CD1-CH2 3.8Å; F128-W358 HydrophobicContact CD1-CZ2 4.19Å; F128-W358 HydrophobicContact CD1-CZ3 4.49Å; F128-W358 HydrophobicContact CE1-CH2 4.39Å; F128-W358 HydrophobicContact CE1-CZ2 4.44Å; V141-W358 HydrophobicContact CB-CD2 4.41Å; V141-W358 HydrophobicContact CB-CG 4.5Å; V141-W358 HydrophobicContact CB-CZ2 4.43Å; V141-W358 HydrophobicContact CG2-CD2 3.95Å; V141-W358 HydrophobicContact CG2-CG 3.88Å; F199-W358 HydrophobicContact CD1-CH2 4.28Å; F199-W358 HydrophobicContact CE1-CH2 4.14Å; Y217-W358 CarbonylContact C-O 3.52Å; Y217-W358 WeakPolarHBondContact CA-O 3.43Å; I218-W358 HydrophobicContact CB-CD2 4.1Å; I218-W358 HydrophobicContact CB-CH2 4.21Å; I218-W358 HydrophobicContact CB-CZ2 3.77Å; I218-W358 HydrophobicContact CD1-CZ2 4.08Å; I218-W358 HydrophobicContact CG2-CD2 4.42Å; I218-W358 HydrophobicContact CG2-CH2 3.47Å; I218-W358 VanDerWaalsContact CG2-CH2 3.47Å; I218-W358 HydrophobicContact CG2-CZ2 3.32Å; I218-W358 HydrophobicContact CG2-CZ3 4.1Å; I218-W358 PolarHBondContact N-O 3.31Å; I218-W358 PolarHBondContact O-N 3.33Å; W358-N362 WeakPolarHBondContact CA-O 3.36Å; W358-N362 WeakPolarHBondContact CB-O 3.3Å; W358-Y363 HydrophobicContact CB-CD2 3.6Å; W358-Y363 HydrophobicContact CB-CE2 4.35Å; W358-Y363 HydrophobicContact CB-CG 4.25Å; W358-Y363 HydrophobicContact CD2-CD2 4.21Å; W358-Y363 HydrophobicContact CD2-CE2 4.16Å; W358-Y363 HydrophobicContact CE3-CD2 4.09Å; W358-Y363 AromaticContact CE3-CE2 3.66Å; W358-Y363 HydrophobicContact CE3-CE2 3.66Å; W358-Y363 HydrophobicContact CG-CD2 4.04Å; W358-Y363 HydrophobicContact CG-CE2 4.47Å; W358-Y363 HydrophobicContact CZ3-CE2 4.34Å
359	N	95.4	Very high	94.1	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.027	14%	0.14	C	C	.	.			trans	-134.2	-162.4	169.1	68.1	5.2	0	0	0	109	C142 I210 A216 Y217 H361 N362 W364	C142-N359 WeakPolarHBondContact CA-O 3.4Å; C142-N359 WeakPolarHBondContact CB-O 3.34Å; C142-N359 PolarHBondContact SG-O 3Å; I210-N359 HydrophobicContact CD1-CB 4.13Å; A216-N359 WeakPolarHBondContact O-CB 3.37Å; Y217-N359 HydrophobicContact CD1-CB 3.8Å; Y217-N359 HydrophobicContact CE1-CB 4.1Å; Y217-N359 WeakPolarHBondContact CE1-ND2 3.36Å; Y217-N359 HydrophobicContact CG-CB 4.4Å; N359-H361 PolarHBondContact O-N 2.89Å; N359-H361 WeakPolarHBondContact OD1-CA 3.35Å; N359-H361 WeakPolarHBondContact OD1-CB 3.18Å; N359-H361 PolarHBondContact OD1-N 2.84Å; N359-N362 PolarHBondContact N-O 3.44Å; N359-N362 VanDerWaalsContact N-O 3.1Å; N359-N362 PolarHBondContact OD1-N 3.41Å; N359-W364 WeakPolarHBondContact OD1-CZ3 3.49Å
360	D	93.1	Very high	93.9	Very high	25 Å²	25	22.5 Å²	22.5	13%	0.134	11%	0.114	C	C	.	.	S	Bend	trans	-74	-8	-179.6	70.7	-72.8	0	0	0	113.8	L145 K147 I210	L145-D360 HydrophobicContact CB-CB 4.32Å; L145-D360 HydrophobicContact CD1-CB 4.33Å; K147-D360 WeakPolarHBondContact CE-OD2 3.42Å; K147-D360 IonicContact NZ-OD1 3.81Å; K147-D360 IonicContact NZ-OD2 3.45Å; K147-D360 PolarHBondContact NZ-OD2 2.93Å; I210-D360 HydrophobicContact CD1-CB 4.42Å
361	H	91.6	Very high	93.5	Very high	83 Å²	83	25.2 Å²	25.2	38%	0.384	14%	0.136	S	C	.	.	S	Bend	trans	-106	-36.2	-176.4	-58.7	87.5	0	0	0	113.3	N359 L488	N359-H361 PolarHBondContact O-N 2.89Å; N359-H361 WeakPolarHBondContact OD1-CA 3.35Å; N359-H361 WeakPolarHBondContact OD1-CB 3.18Å; N359-H361 PolarHBondContact OD1-N 2.84Å; H361-L488 WeakPolarHBondContact O-CD1 3.33Å
362	N	93.1	Very high	93	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.			trans	-159.9	172.3	-176.2	-145.8	-14.7	0	0	0	113	C142 W358 N359 W364 L391	C142-N362 PolarHBondContact SG-O 3.18Å; W358-N362 WeakPolarHBondContact CA-O 3.36Å; W358-N362 WeakPolarHBondContact CB-O 3.3Å; N359-N362 PolarHBondContact N-O 3.44Å; N359-N362 VanDerWaalsContact N-O 3.1Å; N359-N362 PolarHBondContact OD1-N 3.41Å; N362-W364 VanDerWaalsContact C-CZ3 3.49Å; N362-W364 HydrophobicContact CB-CD2 4.33Å; N362-W364 HydrophobicContact CB-CE3 4.06Å; N362-W364 HydrophobicContact CB-CH2 3.41Å; N362-W364 VanDerWaalsContact CB-CH2 3.41Å; N362-W364 HydrophobicContact CB-CZ2 3.67Å; N362-W364 HydrophobicContact CB-CZ3 3.61Å; N362-W364 WeakPolarHBondContact O-CZ3 3.47Å; N362-L391 PolarHBondContact ND2-O 2.86Å; N362-L391 WeakPolarHBondContact OD1-CB 3.32Å; N362-L391 PolarHBondContact OD1-N 2.86Å
363	Y	94.7	Very high	92.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.1	173.2	-173.1	-84.2	0	0	0	109	L127 F128 L129 V141 S356 W358 V365 Y389 L390	L127-Y363 HydrophobicContact CD1-CE1 4.47Å; F128-Y363 PolarHBondContact N-OH 2.95Å; F128-Y363 WeakPolarHBondContact O-CE2 3.32Å; L129-Y363 HydrophobicContact CD1-CD1 3.49Å; L129-Y363 VanDerWaalsContact CD1-CD1 3.49Å; L129-Y363 HydrophobicContact CD1-CD2 3.59Å; L129-Y363 HydrophobicContact CD1-CE1 3.56Å; L129-Y363 HydrophobicContact CD1-CE2 3.7Å; L129-Y363 HydrophobicContact CD1-CG 3.49Å; L129-Y363 VanDerWaalsContact CD1-CG 3.49Å; V141-Y363 HydrophobicContact CG2-CD2 3.61Å; V141-Y363 HydrophobicContact CG2-CE2 3.85Å; S356-Y363 VanDerWaalsContact CB-CZ 3.44Å; S356-Y363 WeakPolarHBondContact CB-OH 3.35Å; S356-Y363 PolarHBondContact OG-OH 2.95Å; W358-Y363 HydrophobicContact CB-CD2 3.6Å; W358-Y363 HydrophobicContact CB-CE2 4.35Å; W358-Y363 HydrophobicContact CB-CG 4.25Å; W358-Y363 HydrophobicContact CD2-CD2 4.21Å; W358-Y363 HydrophobicContact CD2-CE2 4.16Å; W358-Y363 HydrophobicContact CE3-CD2 4.09Å; W358-Y363 AromaticContact CE3-CE2 3.66Å; W358-Y363 HydrophobicContact CE3-CE2 3.66Å; W358-Y363 HydrophobicContact CG-CD2 4.04Å; W358-Y363 HydrophobicContact CG-CE2 4.47Å; W358-Y363 HydrophobicContact CZ3-CE2 4.34Å; Y363-V365 HydrophobicContact CD1-CG2 4.18Å; Y363-V365 HydrophobicContact CE1-CG2 3.78Å; Y363-Y389 CarbonylContact O-C 3.49Å; Y363-Y389 WeakPolarHBondContact O-CA 3.43Å; Y363-L390 PolarHBondContact O-N 3.33Å
364	W	95.6	Very high	92.6	Very high	17 Å²	17	29.8 Å²	29.8	6%	0.064	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.1	179.7	-65.1	-100.4	0	0	0	110.3	Y217 S356 L357 N359 N362 L381 W387 E388	Y217-W364 HydrophobicContact CD1-CE3 4.35Å; Y217-W364 HydrophobicContact CD1-CH2 4.42Å; Y217-W364 AromaticContact CD1-CZ3 3.85Å; Y217-W364 HydrophobicContact CD1-CZ3 3.85Å; Y217-W364 HydrophobicContact CE1-CE3 4.35Å; Y217-W364 AromaticContact CE1-CH2 3.72Å; Y217-W364 HydrophobicContact CE1-CH2 3.72Å; Y217-W364 AromaticContact CE1-CZ3 3.61Å; Y217-W364 HydrophobicContact CE1-CZ3 3.61Å; S356-W364 CarbonylContact C-O 3.57Å; S356-W364 VanDerWaalsContact CA-O 3.24Å; S356-W364 WeakPolarHBondContact CA-O 3.44Å; S356-W364 WeakPolarHBondContact CB-O 3.28Å; L357-W364 HydrophobicContact CD1-CB 3.8Å; L357-W364 HydrophobicContact CD1-CD2 3.91Å; L357-W364 HydrophobicContact CD1-CE3 3.55Å; L357-W364 HydrophobicContact CD1-CG 4.07Å; L357-W364 HydrophobicContact CD1-CZ3 4.33Å; L357-W364 HydrophobicContact CG-CB 4.12Å; L357-W364 PolarHBondContact N-O 3.05Å; L357-W364 PolarHBondContact O-N 2.84Å; N359-W364 WeakPolarHBondContact OD1-CZ3 3.49Å; N362-W364 VanDerWaalsContact C-CZ3 3.49Å; N362-W364 HydrophobicContact CB-CD2 4.33Å; N362-W364 HydrophobicContact CB-CE3 4.06Å; N362-W364 HydrophobicContact CB-CH2 3.41Å; N362-W364 VanDerWaalsContact CB-CH2 3.41Å; N362-W364 HydrophobicContact CB-CZ2 3.67Å; N362-W364 HydrophobicContact CB-CZ3 3.61Å; N362-W364 WeakPolarHBondContact O-CZ3 3.47Å; W364-L381 HydrophobicContact CD2-CD1 4.33Å; W364-L381 HydrophobicContact CZ2-CD1 4.42Å; W364-L381 PolarHBondContact NE1-O 2.91Å; W364-W387 HydrophobicContact CB-CB 4.48Å; W364-W387 HydrophobicContact CB-CE3 3.99Å; W364-E388 CarbonylContact C-O 3.54Å; W364-E388 WeakPolarHBondContact CA-O 3.5Å
365	V	94.9	Very high	92.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131	174.1	-178.9	0	0	0	0	108.3	F113 Y117 L127 Y363 M367 W387 E388	F113-V365 HydrophobicContact CE1-CG2 3.96Å; F113-V365 HydrophobicContact CZ-CG2 4.09Å; Y117-V365 HydrophobicContact CD2-CG1 4.43Å; Y117-V365 HydrophobicContact CE2-CG1 3.7Å; L127-V365 HydrophobicContact CD1-CG2 3.64Å; L127-V365 HydrophobicContact CD2-CG1 4.12Å; L127-V365 HydrophobicContact CD2-CG2 4.06Å; Y363-V365 HydrophobicContact CD1-CG2 4.18Å; Y363-V365 HydrophobicContact CE1-CG2 3.78Å; V365-M367 HydrophobicContact CG1-SD 4.1Å; V365-M367 PolarHBondContact O-N 3.12Å; V365-W387 WeakPolarHBondContact O-CA 3.37Å; V365-E388 HydrophobicContact CB-CB 4.49Å; V365-E388 PolarHBondContact N-O 3.5Å; V365-E388 PolarHBondContact O-N 2.74Å
366	N	94.6	Very high	92.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.7	174.2	-171.9	16.3	0	0	0	109.8	R124 I354 E355 Q368 C370 C386 W387	R124-N366 VanDerWaalsContact CZ-O 3.3Å; R124-N366 PolarHBondContact NH1-O 3.38Å; R124-N366 PolarHBondContact NH2-O 2.92Å; I354-N366 HydrophobicContact CG2-CB 4.47Å; I354-N366 VanDerWaalsContact O-CB 3.29Å; I354-N366 WeakPolarHBondContact O-CB 3.23Å; I354-N366 PolarHBondContact O-ND2 3.23Å; E355-N366 PolarHBondContact O-N 3.27Å; N366-Q368 VanDerWaalsContact OD1-CB 3.28Å; N366-Q368 WeakPolarHBondContact OD1-CB 3.35Å; N366-Q368 WeakPolarHBondContact OD1-CG 3.47Å; N366-Q368 PolarHBondContact OD1-N 2.93Å; N366-Q368 PolarHBondContact OD1-NE2 3.4Å; N366-C370 PolarHBondContact ND2-SG 2.9Å; N366-C386 PolarHBondContact OD1-O 2.73Å; N366-W387 HydrophobicContact CB-CE3 4.09Å; N366-W387 HydrophobicContact CB-CH2 3.88Å; N366-W387 HydrophobicContact CB-CZ3 3.54Å
367	M	91.5	Very high	92	Very high	61 Å²	61	36.9 Å²	36.9	30%	0.3	21%	0.211	S	C	.	.			trans	-107.8	-1.1	176.8	-60.3	-55.7	-73.7	0	0	112.6	V365 C386 E388	V365-M367 HydrophobicContact CG1-SD 4.1Å; V365-M367 PolarHBondContact O-N 3.12Å; M367-C386 PolarHBondContact N-O 2.82Å; M367-E388 HydrophobicContact CG-CB 3.94Å; M367-E388 HydrophobicContact SD-CB 4.34Å
368	Q	92.8	Very high	91.9	Very high	36 Å²	36	40.2 Å²	40.2	17%	0.168	23%	0.229	C	C	.	.	S	Bend	trans	-83	153.9	179.1	-56.6	172.5	86.1	0	0	111.4	N366 C370 L377 N378 C386	N366-Q368 VanDerWaalsContact OD1-CB 3.28Å; N366-Q368 WeakPolarHBondContact OD1-CB 3.35Å; N366-Q368 WeakPolarHBondContact OD1-CG 3.47Å; N366-Q368 PolarHBondContact OD1-N 2.93Å; N366-Q368 PolarHBondContact OD1-NE2 3.4Å; Q368-C370 PolarHBondContact O-N 3.44Å; Q368-L377 HydrophobicContact CB-CD2 3.56Å; Q368-L377 HydrophobicContact CG-CD2 4.35Å; Q368-N378 PolarHBondContact NE2-O 3.07Å; Q368-C386 HydrophobicContact CG-CB 3.8Å
369	D	89.4	Confident	91.6	Very high	107 Å²	107	41.3 Å²	41.3	57%	0.572	23%	0.233	S	C	*	.			trans	-74.9	123.5	175.6	-175.4	11.2	0	0	0	110.9	S371 H376	D369-S371 VanDerWaalsContact CG-OG 3.26Å; D369-S371 WeakPolarHBondContact OD1-CB 3.29Å; D369-S371 PolarHBondContact OD1-N 3.3Å; D369-S371 PolarHBondContact OD1-OG 3.39Å; D369-S371 PolarHBondContact OD2-OG 3.21Å; D369-H376 PolarHBondContact O-NE2 3.43Å
370	C	88.6	Confident	91.4	Very high	27 Å²	27	44.9 Å²	44.9	18%	0.182	25%	0.252	C	S	.	.			trans	-105.7	8.2	177.1	-62.6	0	0	0	0	113.1	N366 Q368 T372 G373	N366-C370 PolarHBondContact ND2-SG 2.9Å; Q368-C370 PolarHBondContact O-N 3.44Å; C370-T372 PolarHBondContact O-N 3.24Å; C370-T372 VanDerWaalsContact O-N 3.1Å; C370-G373 PolarHBondContact O-N 2.89Å
371	S	84.7	Confident	91.4	Very high	92 Å²	92	44.3 Å²	44.3	64%	0.643	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.7	-174.6	62.8	0	0	0	0	114.3	D369	D369-S371 VanDerWaalsContact CG-OG 3.26Å; D369-S371 WeakPolarHBondContact OD1-CB 3.29Å; D369-S371 PolarHBondContact OD1-N 3.3Å; D369-S371 PolarHBondContact OD1-OG 3.39Å; D369-S371 PolarHBondContact OD2-OG 3.21Å
372	T	85.5	Confident	91.1	Very high	110 Å²	110	43.5 Å²	43.5	68%	0.675	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	14.5	177.9	59.4	0	0	0	0	113.7	C370 H376	C370-T372 PolarHBondContact O-N 3.24Å; C370-T372 VanDerWaalsContact O-N 3.1Å; T372-H376 PolarHBondContact OG1-CE1 3.47Å
373	G	88.1	Confident	91	Very high	18 Å²	18	45.8 Å²	45.8	19%	0.186	27%	0.265	C	S	.	.			trans	98.7	-164.3	-173.5	0	0	0	0	0	113	C370 H376	C370-G373 PolarHBondContact O-N 2.89Å; G373-H376 PolarHBondContact O-CE1 3.35Å
374	I	92.5	Very high	90.5	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	29%	0.291	C	S	.	.	S	Bend	trans	-112.8	-2.2	-171	66.8	161.3	0	0	0	115.1	F335 Y351 I354 H376 L377 Y379	F335-I374 HydrophobicContact CD2-CD1 4.44Å; F335-I374 HydrophobicContact CE2-CD1 3.5Å; F335-I374 HydrophobicContact CZ-CD1 3.98Å; Y351-I374 VanDerWaalsContact CB-CD1 3.45Å; Y351-I374 HydrophobicContact CD2-CD1 4.15Å; Y351-I374 HydrophobicContact CG-CD1 4.26Å; I354-I374 HydrophobicContact CD1-CD1 4.48Å; I354-I374 HydrophobicContact CD1-CG2 4.43Å; I354-I374 HydrophobicContact CG1-CG2 4.11Å; I374-H376 VanDerWaalsContact C-N 3.27Å; I374-H376 PolarHBondContact O-N 2.84Å; I374-L377 HydrophobicContact CB-CD1 3.77Å; I374-L377 HydrophobicContact CB-CG 4.32Å; I374-L377 HydrophobicContact CG2-CD1 3.93Å; I374-L377 WeakPolarHBondContact O-CB 3.36Å; I374-L377 WeakPolarHBondContact O-CG 3.37Å; I374-L377 PolarHBondContact O-N 2.88Å; I374-Y379 PolarHBondContact O-OH 3.36Å
375	S	89.8	Confident	90.2	Very high	82 Å²	82	54.7 Å²	54.7	57%	0.573	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.7	-171.7	55.2	0	0	0	0	114.1
376	H	91	Very high	90	Very high	94 Å²	94	55.5 Å²	55.5	44%	0.435	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	1.6	-178.7	60.9	-80.6	0	0	0	113.8	D369 T372 G373 I374	D369-H376 PolarHBondContact O-NE2 3.43Å; T372-H376 PolarHBondContact OG1-CE1 3.47Å; G373-H376 PolarHBondContact O-CE1 3.35Å; I374-H376 VanDerWaalsContact C-N 3.27Å; I374-H376 PolarHBondContact O-N 2.84Å
377	L	92.4	Very high	89.9	Confident	11 Å²	11	55.5 Å²	55.5	6%	0.058	33%	0.331	C	S	.	.			trans	-70.4	139.9	-176.9	-62.7	-177.8	0	0	0	111.6	I354 Q368 I374 Y379	I354-L377 HydrophobicContact CB-CD1 4.47Å; I354-L377 HydrophobicContact CD1-CD1 4.12Å; I354-L377 HydrophobicContact CG1-CD1 4.48Å; Q368-L377 HydrophobicContact CB-CD2 3.56Å; Q368-L377 HydrophobicContact CG-CD2 4.35Å; I374-L377 HydrophobicContact CB-CD1 3.77Å; I374-L377 HydrophobicContact CB-CG 4.32Å; I374-L377 HydrophobicContact CG2-CD1 3.93Å; I374-L377 WeakPolarHBondContact O-CB 3.36Å; I374-L377 WeakPolarHBondContact O-CG 3.37Å; I374-L377 PolarHBondContact O-N 2.88Å; L377-Y379 HydrophobicContact CB-CE2 4.1Å; L377-Y379 WeakPolarHBondContact O-CD2 3.45Å; L377-Y379 VanDerWaalsContact O-CE2 3.32Å; L377-Y379 WeakPolarHBondContact O-CE2 3.18Å
378	N	92.9	Very high	89.9	Confident	70 Å²	70	54.9 Å²	54.9	37%	0.374	33%	0.328	S	S	.	.			trans	-86.2	124.9	169.5	-174.4	-6.2	0	0	0	109.6	Q368 N380 W387	Q368-N378 PolarHBondContact NE2-O 3.07Å; N378-N380 WeakPolarHBondContact OD1-CB 3.49Å; N378-N380 PolarHBondContact OD1-N 2.82Å; N378-W387 PolarHBondContact O-NE1 2.81Å
379	Y	92.2	Very high	89.8	Confident	24 Å²	24	57.6 Å²	57.6	9%	0.094	34%	0.337	C	S	.	.			trans	-96.8	11.9	-179.3	-64.1	-83.2	0	0	0	113.6	L322 F335 L346 I354 I374 L377 L381 W387	L322-Y379 HydrophobicContact CD1-CD1 4.34Å; L322-Y379 HydrophobicContact CD2-CD1 3.81Å; L322-Y379 HydrophobicContact CD2-CE1 4.47Å; F335-Y379 HydrophobicContact CE1-CE1 4.24Å; F335-Y379 AromaticContact CZ-CE1 3.7Å; F335-Y379 HydrophobicContact CZ-CE1 3.7Å; F335-Y379 AromaticContact CZ-CZ 3.76Å; F335-Y379 WeakPolarHBondContact CZ-OH 3.48Å; L346-Y379 HydrophobicContact CB-CE2 4.11Å; L346-Y379 HydrophobicContact CD1-CD2 3.78Å; L346-Y379 HydrophobicContact CD1-CE2 3.88Å; L346-Y379 HydrophobicContact CD2-CD2 4.47Å; L346-Y379 HydrophobicContact CD2-CE2 4.17Å; L346-Y379 HydrophobicContact CG-CE2 4.29Å; I354-Y379 HydrophobicContact CD1-CE1 3.98Å; I374-Y379 PolarHBondContact O-OH 3.36Å; L377-Y379 HydrophobicContact CB-CE2 4.1Å; L377-Y379 WeakPolarHBondContact O-CD2 3.45Å; L377-Y379 VanDerWaalsContact O-CE2 3.32Å; L377-Y379 WeakPolarHBondContact O-CE2 3.18Å; Y379-L381 PolarHBondContact O-N 2.84Å; Y379-L381 VanDerWaalsContact O-N 3.11Å; Y379-W387 HydrophobicContact CD1-CZ2 4.45Å
380	N	91.7	Very high	89.8	Confident	80 Å²	80	52.5 Å²	52.5	43%	0.428	31%	0.31	S	S	.	.			trans	-75.2	97.3	170.6	-175	2.3	0	0	0	110.7	N378 S382 D383	N378-N380 WeakPolarHBondContact OD1-CB 3.49Å; N378-N380 PolarHBondContact OD1-N 2.82Å; N380-S382 VanDerWaalsContact CG-OG 3.24Å; N380-S382 PolarHBondContact ND2-OG 3.02Å; N380-S382 PolarHBondContact O-N 2.86Å; N380-S382 WeakPolarHBondContact OD1-CB 3.33Å; N380-S382 PolarHBondContact OD1-N 2.85Å; N380-S382 VanDerWaalsContact OD1-N 3.12Å; N380-S382 PolarHBondContact OD1-OG 2.81Å; N380-D383 WeakPolarHBondContact O-CB 3.28Å; N380-D383 PolarHBondContact O-N 3.36Å
381	L	91	Very high	89.6	Confident	13 Å²	13	51.5 Å²	51.5	7%	0.068	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.7	-178.9	-52.8	-176	0	0	0	114.4	Y217 L324 L357 W364 Y379 W387	Y217-L381 HydrophobicContact CD1-CD1 3.88Å; Y217-L381 HydrophobicContact CE1-CD1 3.37Å; Y217-L381 HydrophobicContact CE2-CD1 4.26Å; Y217-L381 HydrophobicContact CG-CD1 4.5Å; L324-L381 HydrophobicContact CD1-CD1 4.06Å; L324-L381 HydrophobicContact CD1-CG 4.31Å; L357-L381 HydrophobicContact CD1-CD1 3.68Å; L357-L381 HydrophobicContact CD1-CD2 3.85Å; L357-L381 HydrophobicContact CD1-CG 4.43Å; L357-L381 HydrophobicContact CD2-CD2 3.67Å; L357-L381 HydrophobicContact CG-CD2 4.32Å; W364-L381 HydrophobicContact CD2-CD1 4.33Å; W364-L381 HydrophobicContact CZ2-CD1 4.42Å; W364-L381 PolarHBondContact NE1-O 2.91Å; Y379-L381 PolarHBondContact O-N 2.84Å; Y379-L381 VanDerWaalsContact O-N 3.11Å; L381-W387 HydrophobicContact CD2-CD2 3.73Å; L381-W387 HydrophobicContact CD2-CE3 4.31Å; L381-W387 HydrophobicContact CD2-CG 3.85Å; L381-W387 HydrophobicContact CD2-CZ2 4.38Å
382	S	87.1	Confident	88.9	Confident	67 Å²	67	50.2 Å²	50.2	47%	0.469	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-17.6	173.1	70.2	0	0	0	0	113.1	N380 G384	N380-S382 VanDerWaalsContact CG-OG 3.24Å; N380-S382 PolarHBondContact ND2-OG 3.02Å; N380-S382 PolarHBondContact O-N 2.86Å; N380-S382 WeakPolarHBondContact OD1-CB 3.33Å; N380-S382 PolarHBondContact OD1-N 2.85Å; N380-S382 VanDerWaalsContact OD1-N 3.12Å; N380-S382 PolarHBondContact OD1-OG 2.81Å; S382-G384 PolarHBondContact O-N 2.83Å
383	D	89.4	Confident	87.6	Confident	47 Å²	47	48.3 Å²	48.3	25%	0.251	28%	0.278	S	S	.	.			trans	-79.5	99.9	179.1	-176	1.1	0	0	0	110.8	N380 L385 C386 W387	N380-D383 WeakPolarHBondContact O-CB 3.28Å; N380-D383 PolarHBondContact O-N 3.36Å; D383-L385 PolarHBondContact O-N 2.72Å; D383-L385 VanDerWaalsContact O-N 3.14Å; D383-L385 WeakPolarHBondContact OD1-CB 3.47Å; D383-L385 PolarHBondContact OD1-N 3.4Å; D383-C386 HydrophobicContact CB-CB 4.24Å; D383-C386 PolarHBondContact O-N 2.95Å; D383-C386 PolarHBondContact OD2-SG 2.82Å; D383-W387 PolarHBondContact O-N 2.77Å
384	G	85.6	Confident	85.5	Confident	53 Å²	53	52.6 Å²	52.6	55%	0.546	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-11.7	179.8	0	0	0	0	0	115.2	S382	S382-G384 PolarHBondContact O-N 2.83Å
385	L	88	Confident	83.2	Confident	151 Å²	151	63.4 Å²	63.4	79%	0.791	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-30.1	170.2	-64.1	174.8	0	0	0	111.7	D383	D383-L385 PolarHBondContact O-N 2.72Å; D383-L385 VanDerWaalsContact O-N 3.14Å; D383-L385 WeakPolarHBondContact OD1-CB 3.47Å; D383-L385 PolarHBondContact OD1-N 3.4Å
386	C	91.2	Very high	80.9	Confident	18 Å²	18	63.1 Å²	63.1	12%	0.122	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-38.6	-179.1	-67.1	0	0	0	0	112.2	N366 M367 Q368 D383	N366-C386 PolarHBondContact OD1-O 2.73Å; M367-C386 PolarHBondContact N-O 2.82Å; Q368-C386 HydrophobicContact CG-CB 3.8Å; D383-C386 HydrophobicContact CB-CB 4.24Å; D383-C386 PolarHBondContact O-N 2.95Å; D383-C386 PolarHBondContact OD2-SG 2.82Å
387	W	93.3	Very high	78	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	116.2	-173.3	-63.3	96.1	0	0	0	111.6	I354 L357 W364 V365 N366 N378 Y379 L381 D383	I354-W387 HydrophobicContact CG2-CH2 3.9Å; I354-W387 HydrophobicContact CG2-CZ3 4.31Å; L357-W387 HydrophobicContact CD2-CD2 4.42Å; L357-W387 HydrophobicContact CD2-CE3 3.92Å; L357-W387 HydrophobicContact CD2-CH2 3.31Å; L357-W387 HydrophobicContact CD2-CZ2 3.87Å; L357-W387 HydrophobicContact CD2-CZ3 3.33Å; L357-W387 HydrophobicContact CG-CE3 4.16Å; L357-W387 HydrophobicContact CG-CH2 4.2Å; L357-W387 HydrophobicContact CG-CZ3 3.72Å; W364-W387 HydrophobicContact CB-CB 4.48Å; W364-W387 HydrophobicContact CB-CE3 3.99Å; V365-W387 WeakPolarHBondContact O-CA 3.37Å; N366-W387 HydrophobicContact CB-CE3 4.09Å; N366-W387 HydrophobicContact CB-CH2 3.88Å; N366-W387 HydrophobicContact CB-CZ3 3.54Å; N378-W387 PolarHBondContact O-NE1 2.81Å; Y379-W387 HydrophobicContact CD1-CZ2 4.45Å; L381-W387 HydrophobicContact CD2-CD2 3.73Å; L381-W387 HydrophobicContact CD2-CE3 4.31Å; L381-W387 HydrophobicContact CD2-CG 3.85Å; L381-W387 HydrophobicContact CD2-CZ2 4.38Å; D383-W387 PolarHBondContact O-N 2.77Å
388	E	91.4	Very high	75	Confident	48 Å²	48	68.2 Å²	68.2	22%	0.224	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.6	173.3	-174.4	170.5	-170.8	0	0	109.7	W364 V365 M367	W364-E388 CarbonylContact C-O 3.54Å; W364-E388 WeakPolarHBondContact CA-O 3.5Å; V365-E388 HydrophobicContact CB-CB 4.49Å; V365-E388 PolarHBondContact N-O 3.5Å; V365-E388 PolarHBondContact O-N 2.74Å; M367-E388 HydrophobicContact CG-CB 3.94Å; M367-E388 HydrophobicContact SD-CB 4.34Å
389	Y	89.9	Confident	71.9	Confident	93 Å²	93	74.6 Å²	74.6	37%	0.365	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	149	178.5	56.7	-100.3	0	0	0	111.9	Y363 L391 P392 L396	Y363-Y389 CarbonylContact O-C 3.49Å; Y363-Y389 WeakPolarHBondContact O-CA 3.43Å; Y389-L391 VanDerWaalsContact CD2-O 3.32Å; Y389-L391 WeakPolarHBondContact CD2-O 3.23Å; Y389-P392 VanDerWaalsContact CE2-CA 3.44Å; Y389-P392 HydrophobicContact CE2-CB 3.89Å; Y389-P392 HydrophobicContact CE2-CG 4.1Å; Y389-L396 HydrophobicContact CD1-CD1 4.42Å
390	L	89.5	Confident	68.9	Low	1 Å²	1	76.3 Å²	76.3	1%	0.005	42%	0.423	C	S	.	.	S	Bend	trans	-76.5	-47.2	175.6	-176.9	72.1	0	0	0	112	Y109 F113 L129 F140 Y363	Y109-L390 HydrophobicContact CD1-CD1 4.1Å; Y109-L390 HydrophobicContact CD1-CG 4.29Å; Y109-L390 HydrophobicContact CE1-CD1 3.78Å; Y109-L390 HydrophobicContact CE1-CG 3.97Å; Y109-L390 WeakPolarHBondContact CE1-O 3.44Å; Y109-L390 PolarHBondContact OH-O 3.48Å; F113-L390 HydrophobicContact CB-CD1 3.56Å; F113-L390 HydrophobicContact CD1-CD1 3.56Å; F113-L390 HydrophobicContact CD2-CD1 3.61Å; F113-L390 HydrophobicContact CE1-CD1 4.1Å; F113-L390 HydrophobicContact CE2-CD1 4.16Å; F113-L390 HydrophobicContact CG-CD1 3.27Å; F113-L390 HydrophobicContact CZ-CD1 4.38Å; L129-L390 HydrophobicContact CD1-CD2 4.28Å; L129-L390 HydrophobicContact CD2-CD1 4.45Å; L129-L390 HydrophobicContact CD2-CD2 4.42Å; F140-L390 HydrophobicContact CE1-CD2 4.38Å; F140-L390 HydrophobicContact CE2-CD2 3.52Å; F140-L390 HydrophobicContact CZ-CD2 3.42Å; F140-L390 VanDerWaalsContact CZ-CD2 3.42Å; Y363-L390 PolarHBondContact O-N 3.33Å
391	L	85	Confident	66.1	Low	6 Å²	6	79.7 Å²	79.7	3%	0.031	45%	0.447	C	S	.	.	S	Bend	trans	-106.7	117.9	-173.6	-58.2	172.9	0	0	0	110.2	L106 Y109 N362 Y389 N393 L486 L488	L106-L391 HydrophobicContact CD1-CD2 4Å; Y109-L391 HydrophobicContact CD1-CD2 4.49Å; Y109-L391 HydrophobicContact CE1-CD2 4.36Å; N362-L391 PolarHBondContact ND2-O 2.86Å; N362-L391 WeakPolarHBondContact OD1-CB 3.32Å; N362-L391 PolarHBondContact OD1-N 2.86Å; Y389-L391 VanDerWaalsContact CD2-O 3.32Å; Y389-L391 WeakPolarHBondContact CD2-O 3.23Å; L391-N393 PolarHBondContact O-N 2.75Å; L391-L486 HydrophobicContact CD2-CD2 3.89Å; L391-L488 HydrophobicContact CD1-CD1 3.45Å; L391-L488 VanDerWaalsContact CD1-CD1 3.45Å; L391-L488 HydrophobicContact CD1-CG 4.11Å
392	P	69.2	Low	62.9	Low	64 Å²	64	82.5 Å²	82.5	42%	0.416	48%	0.479	S	S	.	.			trans	-65.3	117.4	174.5	-14.5	27	0	0	0	110.4	Y389	Y389-P392 VanDerWaalsContact CE2-CA 3.44Å; Y389-P392 HydrophobicContact CE2-CB 3.89Å; Y389-P392 HydrophobicContact CE2-CG 4.1Å
393	N	57.9	Low	60.2	Low	70 Å²	70	89.2 Å²	89.2	37%	0.374	50%	0.5	S	S	.	.			trans	-104.4	131.5	173.7	-92.4	-19.7	0	0	0	110.3	L391 R395 L396	L391-N393 PolarHBondContact O-N 2.75Å; N393-R395 PolarHBondContact O-N 2.89Å; N393-L396 PolarHBondContact O-N 2.82Å; N393-L396 VanDerWaalsContact O-N 3.15Å
394	D	45.1	Very low	57.4	Low	108 Å²	108	92 Å²	92	58%	0.578	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-57.3	-14.7	175.1	-89.1	-15.4	0	0	0	113.6	L396 S397	D394-L396 VanDerWaalsContact C-N 3.31Å; D394-L396 PolarHBondContact O-N 2.55Å; D394-S397 PolarHBondContact O-OG 2.77Å
395	R	42.8	Very low	54.7	Low	232 Å²	232	94.6 Å²	94.6	88%	0.875	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-75.7	-14	179	-67.7	-172.6	176.2	-176.7	-0.8	114.2	N393	N393-R395 PolarHBondContact O-N 2.89Å
396	L	42.3	Very low	52	Low	76 Å²	76	95.6 Å²	95.6	40%	0.398	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-99.9	-1.1	-175.3	-69	169.2	0	0	0	114	Y389 N393 D394	Y389-L396 HydrophobicContact CD1-CD1 4.42Å; N393-L396 PolarHBondContact O-N 2.82Å; N393-L396 VanDerWaalsContact O-N 3.15Å; D394-L396 VanDerWaalsContact C-N 3.31Å; D394-L396 PolarHBondContact O-N 2.55Å
397	S	30.2	Very low	49.1	Very low	90 Å²	90	103.3 Å²	103.3	63%	0.629	57%	0.572	S	S	*	*	S	Bend	trans	-111.5	14.6	-172.8	59	0	0	0	0	116	D394	D394-S397 PolarHBondContact O-OG 2.77Å
398	V	29.8	Very low	46.1	Very low	121 Å²	121	114.9 Å²	114.9	73%	0.733	62%	0.615	S	S	*	*			trans	-127.9	53.8	-174.8	-161.5	0	0	0	0	112.7
399	E	28.1	Very low	43.2	Very low	204 Å²	204	118.1 Å²	118.1	95%	0.953	64%	0.64	S	S	*	*	S	Bend	trans	-136.5	73.1	158.8	-71.3	-166.3	177.1	0	0	108.9
400	G	28.1	Very low	40.2	Very low	61 Å²	61	121.1 Å²	121.1	63%	0.629	66%	0.662	S	S	*	*	S	Bend	trans	175.1	110.6	178.5	0	0	0	0	0	111.8
401	T	32.5	Very low	37.2	Very low	150 Å²	150	128.5 Å²	128.5	92%	0.92	70%	0.699	S	S	*	*			trans	81.3	122.2	173.9	76	0	0	0	0	116.4
402	G	25.7	Very low	34.6	Very low	72 Å²	72	136.5 Å²	136.5	74%	0.742	73%	0.734	S	S	*	*			trans	-88.1	-171.1	-173.6	0	0	0	0	0	115.7
403	F	28.7	Very low	32.5	Very low	209 Å²	209	140.8 Å²	140.8	92%	0.917	75%	0.753	S	S	*	*			trans	91.8	123.5	173.1	-84.9	-89.1	0	0	0	119.4
404	S	31.8	Very low	31.1	Very low	104 Å²	104	142.7 Å²	142.7	73%	0.727	77%	0.767	S	S	*	*			trans	87.4	86.2	155.4	68	0	0	0	0	119
405	S	27.5	Very low	30.2	Very low	109 Å²	109	145 Å²	145	76%	0.762	78%	0.775	S	S	*	*				-0.4	126.6	129	58	0	0	0	0	117.3
406	I	33.3	Very low	29.5	Very low	171 Å²	171	139.6 Å²	139.6	88%	0.877	77%	0.772	S	S	*	*				-154.3	123.3	126.6	-89.2	140.7	0	0	0	107.7
407	Q	28.3	Very low	28.7	Very low	181 Å²	181	141.1 Å²	141.1	85%	0.846	79%	0.785	S	S	*	*			trans	-65.7	147.1	174.6	-68.5	165.7	-37	0	0	112
408	R	31.4	Very low	28.7	Very low	243 Å²	243	146 Å²	146	92%	0.917	80%	0.8	S	S	*	*			trans	-174.4	158.1	133	-99.8	171.1	-169.6	-172.2	4.9	111.1
409	P	30.1	Very low	28.7	Very low	115 Å²	115	147.2 Å²	147.2	75%	0.747	80%	0.802	S	S	*	*				-114.3	166.9	-124.8	40.5	-31.8	0	0	0	115.5
410	D	26.6	Very low	28.7	Very low	156 Å²	156	142.8 Å²	142.8	83%	0.834	79%	0.794	S	S	*	*			trans	-14	129.8	165.2	-57.8	-39.2	0	0	0	118.6
411	M	28	Very low	28.8	Very low	156 Å²	156	149.4 Å²	149.4	77%	0.768	81%	0.805	S	S	*	*			trans	-168.6	145.7	140.7	-116.2	172.7	59.5	0	0	112.5
412	F	29.3	Very low	28.8	Very low	174 Å²	174	148.2 Å²	148.2	76%	0.763	80%	0.798	S	S	*	*			trans	98.1	70.4	173.6	-61.3	-75.8	0	0	0	117.7	V414	F412-V414 HydrophobicContact CD1-CG2 4.16Å
413	N	25.8	Very low	29.1	Very low	154 Å²	154	151.1 Å²	151.1	82%	0.824	80%	0.804	S	S	*	*			trans	-93	109.6	146.1	-145.7	0.3	0	0	0	107.1
414	V	28.2	Very low	29.1	Very low	111 Å²	111	148.9 Å²	148.9	67%	0.673	80%	0.8	S	S	*	*			trans	-98.8	93.5	176.2	178.9	0	0	0	0	108.2	F412	F412-V414 HydrophobicContact CD1-CG2 4.16Å
415	Q	27	Very low	29.1	Very low	157 Å²	157	151.4 Å²	151.4	73%	0.734	80%	0.803	S	S	*	*			trans	-71.7	121	160.6	-76.1	171.8	-34.2	0	0	108.6	T417	Q415-T417 PolarHBondContact O-N 3.19Å
416	S	27	Very low	29.1	Very low	118 Å²	118	150.1 Å²	150.1	83%	0.825	79%	0.794	S	S	*	*			trans	-87.4	91.5	164.2	-78.6	0	0	0	0	109.2
417	T	26.3	Very low	29	Very low	107 Å²	107	150 Å²	150	66%	0.656	79%	0.79	S	S	*	*			trans	-96.3	104.2	161.4	43.6	0	0	0	0	108.3	Q415 N419	Q415-T417 PolarHBondContact O-N 3.19Å; T417-N419 PolarHBondContact O-N 2.72Å
418	M	28.8	Very low	29	Very low	193 Å²	193	149 Å²	149	95%	0.951	79%	0.789	S	S	*	*			trans	-80	102.2	165.9	-82.9	-77.6	-179.2	0	0	108.3	S420	M418-S420 PolarHBondContact O-N 2.88Å
419	N	29.9	Very low	29	Very low	147 Å²	147	142 Å²	142	79%	0.786	78%	0.784	S	S	*	*			trans	-62.5	116.3	173.7	-86.4	-34.8	0	0	0	111.8	T417	T417-N419 PolarHBondContact O-N 2.72Å
420	S	29.1	Very low	29	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	79%	0.786	S	S	*	*			trans	-67.8	126.5	154.5	52.2	0	0	0	0	110.2	M418	M418-S420 PolarHBondContact O-N 2.88Å
421	K	28.9	Very low	29.4	Very low	200 Å²	200	139.5 Å²	139.5	87%	0.87	78%	0.779	S	S	*	*			trans	-105.6	109.8	164.9	-79	-177.9	177	178.1	0	108.9
422	T	33.7	Very low	29.4	Very low	125 Å²	125	139 Å²	139	77%	0.767	78%	0.779	S	S	*	*			trans	-151.8	135.2	154.3	37	0	0	0	0	109.4
423	P	32.5	Very low	29.5	Very low	133 Å²	133	138.2 Å²	138.2	86%	0.864	78%	0.781	S	S	*	*			trans	-83.6	147	-171.2	34.5	-33.8	0	0	0	112.4
424	I	27.3	Very low	29.8	Very low	162 Å²	162	137.7 Å²	137.7	83%	0.831	78%	0.777	S	S	*	*			trans	-88.8	124.3	177.9	-64.8	163.6	0	0	0	109.1
425	I	31.8	Very low	29.7	Very low	158 Å²	158	138.4 Å²	138.4	81%	0.81	78%	0.781	S	S	*	*			trans	-136.4	100.4	153.2	-65.6	-174.1	0	0	0	109.3
426	S	28.8	Very low	30	Very low	82 Å²	82	136.7 Å²	136.7	57%	0.573	78%	0.784	S	S	*	*			trans	30.4	130.6	139.8	65.2	0	0	0	0	123
427	Q	30.2	Very low	30.1	Very low	168 Å²	168	138.4 Å²	138.4	79%	0.785	78%	0.784	S	S	*	*				99.2	111.3	122.2	-86.9	176.7	5.9	0	0	120.2
428	L	29	Very low	30.4	Very low	159 Å²	159	138.1 Å²	138.1	83%	0.832	79%	0.787	S	S	*	*				119.5	122.8	125.2	-74.4	155.5	0	0	0	117.9
429	A	31.6	Very low	30.6	Very low	97 Å²	97	137.2 Å²	137.2	80%	0.802	79%	0.785	S	S	*	*			trans	93.1	95.5	146.8	0	0	0	0	0	119.9
430	S	30	Very low	30.5	Very low	113 Å²	113	139.6 Å²	139.6	79%	0.79	79%	0.788	S	S	*	*			trans	-55.4	-173.4	151.1	-41	0	0	0	0	112.8
431	P	35.2	Very low	30.6	Very low	106 Å²	106	139.3 Å²	139.3	69%	0.688	79%	0.786	S	S	*	*			cis	-152.5	-175.4	12.1	39.5	-15.3	0	0	0	118.9
432	L	28.1	Very low	30.8	Very low	145 Å²	145	139.1 Å²	139.1	76%	0.759	79%	0.785	S	S	*	*			trans	100.6	111.7	146.1	-69.5	161.3	0	0	0	120.2
433	L	31.1	Very low	30.7	Very low	157 Å²	157	140.3 Å²	140.3	82%	0.822	79%	0.787	S	S	*	*			trans	-170.6	91.4	135.6	-98.4	161	0	0	0	107.4
434	I	32.1	Very low	30.7	Very low	144 Å²	144	141.5 Å²	141.5	74%	0.738	79%	0.786	S	S	*	*				57.8	110.7	101.3	-56	170	0	0	0	114.1
435	V	25.7	Very low	30.7	Very low	125 Å²	125	140.9 Å²	140.9	76%	0.758	78%	0.784	S	S	*	*			trans	-122.6	145.6	167.9	-174.9	0	0	0	0	107.5
436	P	32.4	Very low	30.7	Very low	122 Å²	122	143.9 Å²	143.9	79%	0.792	79%	0.787	S	S	*	*			trans	-107.1	140.2	157.3	11.9	8.2	0	0	0	112.9
437	N	29.2	Very low	30.6	Very low	153 Å²	153	147.3 Å²	147.3	82%	0.818	80%	0.799	S	S	*	*			trans	-76.7	163.6	-178.2	-78.3	-45.5	0	0	0	115.2
438	S	32.4	Very low	30.7	Very low	102 Å²	102	144.6 Å²	144.6	71%	0.713	80%	0.798	S	S	*	*				109.5	119	129.8	81.7	0	0	0	0	117.7
439	L	32.8	Very low	30.7	Very low	174 Å²	174	141.9 Å²	141.9	91%	0.911	79%	0.793	S	S	*	*				-176.7	150.3	98.8	-96.2	145.6	0	0	0	111.8
440	K	29.6	Very low	30.6	Very low	196 Å²	196	146.8 Å²	146.8	85%	0.852	80%	0.796	S	S	*	*			trans	-95.8	166.1	-162.9	-76.9	174.6	170.5	179.1	0	114.1
441	S	30.9	Very low	30.6	Very low	104 Å²	104	147.9 Å²	147.9	73%	0.727	79%	0.794	S	S	*	*			trans	101.7	136.8	141	89.6	0	0	0	0	114.7
442	K	33.4	Very low	30.2	Very low	196 Å²	196	150 Å²	150	85%	0.852	80%	0.798	S	S	*	*			cis	-159	145.7	31.5	-123.8	162.5	-171.7	177	0	110.6
443	D	30	Very low	30.4	Very low	150 Å²	150	149.7 Å²	149.7	80%	0.802	80%	0.797	S	S	*	*			trans	-64	155.9	170.6	-58.3	-66.5	0	0	0	113.6
444	N	32.7	Very low	30.4	Very low	159 Å²	159	148.1 Å²	148.1	85%	0.85	79%	0.79	S	S	*	*			trans	-162.6	107	132.5	-94.2	-21.5	0	0	0	111.5
445	N	27.4	Very low	30.4	Very low	148 Å²	148	147.5 Å²	147.5	79%	0.791	79%	0.788	S	S	*	*			trans	-86.1	138.1	163.7	-99.6	-26	0	0	0	109.6
446	Y	32.6	Very low	30.9	Very low	222 Å²	222	148.5 Å²	148.5	87%	0.871	79%	0.789	S	S	*	*			trans	-134.8	105.1	152.9	-98.5	-82.8	0	0	0	109.5
447	N	26.3	Very low	30.9	Very low	153 Å²	153	146.4 Å²	146.4	82%	0.818	78%	0.782	S	S	*	*			trans	-94.6	132.4	159.7	-88	-28.8	0	0	0	108
448	S	33.1	Very low	31	Very low	111 Å²	111	148.6 Å²	148.6	78%	0.776	79%	0.787	S	S	*	*			trans	-153.8	106	149.6	61.4	0	0	0	0	110.8
449	S	27.8	Very low	31	Very low	102 Å²	102	146.9 Å²	146.9	71%	0.713	79%	0.785	S	S	*	*			trans	-46.8	145.8	155.9	49.1	0	0	0	0	113.6
450	F	30.8	Very low	30.9	Very low	200 Å²	200	146.1 Å²	146.1	88%	0.877	78%	0.781	S	S	*	*			trans	-158.3	154.3	138.7	-103.8	-72.2	0	0	0	113.1
451	N	29.7	Very low	30.8	Very low	137 Å²	137	142.3 Å²	142.3	73%	0.733	78%	0.775	S	S	*	*			trans	-80.2	156.7	-155.3	-69.6	-56	0	0	0	117.9
452	L	26.6	Very low	31	Very low	150 Å²	150	145.4 Å²	145.4	79%	0.785	78%	0.783	S	S	*	*			trans	-15.5	133.6	140.1	-68.8	151.6	0	0	0	117.9
453	N	32.1	Very low	30.8	Very low	138 Å²	138	141.1 Å²	141.1	74%	0.738	78%	0.778	S	S	*	*				176.8	128.9	113.1	-97.2	1.7	0	0	0	113.4
454	D	31.8	Very low	31	Very low	125 Å²	125	141 Å²	141	67%	0.668	78%	0.782	S	S	*	*				54.3	125.5	128.3	-75	-0.8	0	0	0	124.3
455	N	31.8	Very low	30.9	Very low	131 Å²	131	141.9 Å²	141.9	70%	0.701	78%	0.781	S	S	*	*				103.6	134.1	127.4	-70	-17.5	0	0	0	122
456	D	35.4	Very low	31.1	Very low	146 Å²	146	144.4 Å²	144.4	78%	0.781	79%	0.788	S	S	*	*			trans	95.7	86.7	146.9	-56.7	-23.3	0	0	0	121.6
457	A	31.7	Very low	30.9	Very low	78 Å²	78	140.1 Å²	140.1	65%	0.645	78%	0.784	S	S	*	*				59.2	131	104.7	0	0	0	0	0	123.9
458	H	33	Very low	31	Very low	198 Å²	198	144.5 Å²	144.5	92%	0.917	79%	0.79	S	S	*	*			trans	86.1	129.6	142.7	-65.4	-55.3	0	0	0	122.8
459	G	31.6	Very low	30.8	Very low	66 Å²	66	142.9 Å²	142.9	68%	0.68	79%	0.79	S	S	*	*			trans	144.5	84.4	152.9	0	0	0	0	0	114.4
460	L	30.7	Very low	30.7	Very low	158 Å²	158	146.1 Å²	146.1	83%	0.827	80%	0.799	S	S	*	*				69.5	97.2	105.8	-70.5	168.5	0	0	0	115.2
461	T	28.3	Very low	30.6	Very low	116 Å²	116	144.3 Å²	144.3	71%	0.712	80%	0.798	S	S	*	*				62.4	114	104.7	63.6	0	0	0	0	115.8
462	D	35.1	Very low	30.4	Very low	169 Å²	169	145.7 Å²	145.7	90%	0.904	80%	0.8	S	S	*	*			trans	-160.4	138.3	130.9	-103	-20.8	0	0	0	112.3
463	S	28.7	Very low	30.7	Very low	107 Å²	107	143.2 Å²	143.2	75%	0.748	79%	0.791	S	S	*	*			trans	-96.8	140	-167.4	36.7	0	0	0	0	113
464	V	33.8	Very low	30.6	Very low	146 Å²	146	144.7 Å²	144.7	89%	0.885	79%	0.79	S	S	*	*			trans	-131.7	121	160.4	178.4	0	0	0	0	109.5
465	H	30.4	Very low	30.6	Very low	178 Å²	178	145.5 Å²	145.5	82%	0.824	79%	0.794	S	S	*	*			trans	-65	134.8	176.2	-78.1	-60.2	0	0	0	112.7
466	Q	32.6	Very low	30.7	Very low	202 Å²	202	142 Å²	142	94%	0.944	78%	0.775	S	S	*	*			trans	-137.6	128.3	147.7	-128.1	172.6	30.5	0	0	111
467	V	27.6	Very low	30.5	Very low	131 Å²	131	138 Å²	138	79%	0.794	77%	0.768	S	S	*	*			trans	-84.8	125.5	-171.9	170.3	0	0	0	0	109
468	R	28.5	Very low	30.2	Very low	246 Å²	246	141.1 Å²	141.1	93%	0.928	77%	0.774	S	S	*	*			trans	-171.5	114	149.6	-107.7	166.1	-172.4	-156.3	1.7	113.4
469	G	28.7	Very low	29.9	Very low	76 Å²	76	136.4 Å²	136.4	78%	0.784	76%	0.763	S	S	*	*			trans	62.5	76.1	139.5	0	0	0	0	0	119.9	L471	G469-L471 PolarHBondContact O-N 2.89Å; G469-L471 VanDerWaalsContact O-N 3.11Å
470	N	26.3	Very low	29.7	Very low	171 Å²	171	142.8 Å²	142.8	91%	0.914	78%	0.775	S	S	*	*			trans	-67.8	101.7	163.7	-78.7	-10.4	0	0	0	111.3
471	L	27.7	Very low	29.6	Very low	162 Å²	162	141.7 Å²	141.7	85%	0.848	77%	0.77	S	S	*	*			trans	-99.2	96.8	153.9	-110.6	139.9	0	0	0	107	G469 V473	G469-L471 PolarHBondContact O-N 2.89Å; G469-L471 VanDerWaalsContact O-N 3.11Å; L471-V473 VanDerWaalsContact C-N 3.33Å; L471-V473 PolarHBondContact O-N 2.75Å
472	H	27	Very low	29.7	Very low	166 Å²	166	145.3 Å²	145.3	77%	0.769	78%	0.776	S	S	*	*			trans	-71.8	87.9	178.2	-160.2	-55	0	0	0	108.7	K474	H472-K474 PolarHBondContact O-N 2.84Å
473	V	32.2	Very low	29.7	Very low	98 Å²	98	142.1 Å²	142.1	59%	0.594	76%	0.764	S	S	*	*			trans	-66.7	102.9	167.1	-179.7	0	0	0	0	106.7	L471 L475	L471-V473 VanDerWaalsContact C-N 3.33Å; L471-V473 PolarHBondContact O-N 2.75Å; V473-L475 PolarHBondContact O-N 2.93Å
474	K	30.4	Very low	30.4	Very low	168 Å²	168	143.5 Å²	143.5	73%	0.73	76%	0.763	S	S	*	*			trans	-61.6	121.8	172.4	-79.9	175.7	174.3	175	0	107.9	H472 L476	H472-K474 PolarHBondContact O-N 2.84Å; K474-L476 PolarHBondContact O-N 3.02Å
475	L	30.1	Very low	31.2	Very low	143 Å²	143	141.6 Å²	141.6	75%	0.749	75%	0.747	S	S	*	*			trans	-37.6	122.7	164.2	-103.6	81.8	0	0	0	110.1	V473 G477	V473-L475 PolarHBondContact O-N 2.93Å; L475-G477 PolarHBondContact O-N 2.83Å
476	L	35.2	Very low	32.6	Very low	58 Å²	58	136 Å²	136	30%	0.304	72%	0.723	S	S	.	*	S	Bend	trans	-77.8	4.8	175.7	-85.9	97.1	0	0	0	114.8	Q116 L120 K474 N478	Q116-L476 HydrophobicContact CB-CD2 3.75Å; Q116-L476 HydrophobicContact CG-CD2 4.09Å; L120-L476 HydrophobicContact CD1-CD1 3.04Å; L120-L476 HydrophobicContact CD1-CD2 3.46Å; L120-L476 VanDerWaalsContact CD1-CD2 3.46Å; L120-L476 HydrophobicContact CD1-CG 3.76Å; L120-L476 HydrophobicContact CD2-CD1 3.65Å; L120-L476 HydrophobicContact CD2-CD2 4.07Å; L120-L476 HydrophobicContact CD2-CG 4.2Å; L120-L476 HydrophobicContact CG-CD1 3.86Å; L120-L476 HydrophobicContact CG-CD2 4.01Å; L120-L476 HydrophobicContact CG-CG 4.44Å; K474-L476 PolarHBondContact O-N 3.02Å; L476-N478 PolarHBondContact O-N 2.98Å
477	G	30.2	Very low	34.4	Very low	60 Å²	60	131.2 Å²	131.2	62%	0.619	70%	0.704	S	S	*	*			trans	-93.7	71.5	165	0	0	0	0	0	111.9	L475	L475-G477 PolarHBondContact O-N 2.83Å
478	N	25.2	Very low	37.1	Very low	145 Å²	145	127.1 Å²	127.1	78%	0.775	68%	0.677	S	S	*	*			trans	-141.2	85.9	168.7	-101.7	-24.5	0	0	0	112.7	L476	L476-N478 PolarHBondContact O-N 2.98Å
479	S	27.5	Very low	39.9	Very low	98 Å²	98	115.7 Å²	115.7	69%	0.685	64%	0.635	S	S	*	*	S	Bend	trans	-166.6	103.3	149.2	-79.9	0	0	0	0	109.9	N481	S479-N481 PolarHBondContact O-N 3.19Å; S479-N481 PolarHBondContact O-ND2 3.34Å
480	Q	27.5	Very low	42.7	Very low	201 Å²	201	116.8 Å²	116.8	94%	0.939	63%	0.628	S	S	*	*			trans	32.4	52.3	152.7	-60.1	-171.1	-7.2	0	0	119.4
481	N	27.7	Very low	45.8	Very low	135 Å²	135	110.8 Å²	110.8	72%	0.722	60%	0.599	S	S	*	*			trans	-120.2	124.2	172.5	-73.3	-43.1	0	0	0	110.1	S479	S479-N481 PolarHBondContact O-N 3.19Å; S479-N481 PolarHBondContact O-ND2 3.34Å
482	K	31.3	Very low	48.9	Very low	191 Å²	191	103.3 Å²	103.3	83%	0.83	56%	0.56	S	S	*	*			trans	-41.4	139.4	155	-82.4	174.3	173.5	175.6	0	107.4	L484	K482-L484 VanDerWaalsContact C-N 3.33Å; K482-L484 PolarHBondContact O-N 3.38Å
483	P	35.8	Very low	52.1	Low	102 Å²	102	96 Å²	96	66%	0.662	53%	0.527	S	S	*	.			trans	-53.7	106.8	175.6	24	-31.9	0	0	0	106.4	L485	P483-L485 PolarHBondContact O-N 2.94Å
484	L	42.4	Very low	54.9	Low	137 Å²	137	94.8 Å²	94.8	72%	0.717	52%	0.517	S	S	*	.			trans	-67.9	93.4	167.3	-84	160.6	0	0	0	102	K482 L486	K482-L484 VanDerWaalsContact C-N 3.33Å; K482-L484 PolarHBondContact O-N 3.38Å; L484-L486 PolarHBondContact O-N 3.09Å
485	L	50	Low	57.9	Low	105 Å²	105	90.3 Å²	90.3	55%	0.55	51%	0.505	S	S	.	.			trans	-60.5	83.8	169.5	-168.7	83.4	0	0	0	105.5	P483 D487	P483-L485 PolarHBondContact O-N 2.94Å; L485-D487 VanDerWaalsContact C-N 3.31Å; L485-D487 PolarHBondContact O-N 3.32Å; L485-D487 VanDerWaalsContact O-N 3.12Å
486	L	60.3	Low	61	Low	62 Å²	62	83.6 Å²	83.6	33%	0.325	47%	0.47	S	S	.	.			trans	-85.3	85.9	-177.7	-166.5	73.2	0	0	0	105.8	L106 Y109 L391 L484 L488	L106-L486 HydrophobicContact CD1-CD2 3.61Å; Y109-L486 HydrophobicContact CG-CD2 4.45Å; L391-L486 HydrophobicContact CD2-CD2 3.89Å; L484-L486 PolarHBondContact O-N 3.09Å; L486-L488 PolarHBondContact O-N 2.78Å
487	D	71.3	Confident	63.7	Low	101 Å²	101	87.4 Å²	87.4	54%	0.54	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-57.2	122.6	173.6	-73.3	-17.3	0	0	0	109.4	L485	L485-D487 VanDerWaalsContact C-N 3.31Å; L485-D487 PolarHBondContact O-N 3.32Å; L485-D487 VanDerWaalsContact O-N 3.12Å
488	L	83.9	Confident	66.7	Low	45 Å²	45	85 Å²	85	24%	0.236	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-59.3	128.6	178.2	-144.7	144.1	0	0	0	108.9	F140 C142 T143 H361 L391 L486	F140-L488 HydrophobicContact CE1-CD1 4.28Å; C142-L488 HydrophobicContact CB-CD1 4.22Å; C142-L488 HydrophobicContact CB-CD2 4.29Å; T143-L488 HydrophobicContact CG2-CD2 3.5Å; H361-L488 WeakPolarHBondContact O-CD1 3.33Å; L391-L488 HydrophobicContact CD1-CD1 3.45Å; L391-L488 VanDerWaalsContact CD1-CD1 3.45Å; L391-L488 HydrophobicContact CD1-CG 4.11Å; L486-L488 PolarHBondContact O-N 2.78Å
489	P	86.6	Confident	69.8	Low	6 Å²	6	84.5 Å²	84.5	4%	0.039	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-56.8	149.9	174.4	-21.9	31.8	0	0	0	110.9	K102 E103 L106 T143	K102-P489 HydrophobicContact CB-CG 4.01Å; E103-P489 HydrophobicContact CG-CB 3.9Å; E103-P489 HydrophobicContact CG-CG 3.97Å; L106-P489 HydrophobicContact CD2-CG 4.06Å; T143-P489 HydrophobicContact CG2-CB 4.31Å; T143-P489 HydrophobicContact CG2-CG 4.45Å
490	P	87.2	Confident	72.6	Confident	98 Å²	98	84.2 Å²	84.2	64%	0.636	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-59.1	158.4	169.9	28.4	-35.1	0	0	0	110.4	W492	P490-W492 PolarHBondContact O-N 2.88Å
491	S	92.2	Very high	75.4	Confident	45 Å²	45	80.8 Å²	80.8	32%	0.315	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-53.3	133.3	175.8	-169.8	0	0	0	0	111	T143 L145 T493	T143-S491 VanDerWaalsContact O-CA 3.27Å; T143-S491 WeakPolarHBondContact O-CA 2.99Å; T143-S491 PolarHBondContact O-OG 3.26Å; T143-S491 VanDerWaalsContact O-OG 3.04Å; L145-S491 WeakPolarHBondContact O-CB 3.44Å; L145-S491 PolarHBondContact O-OG 2.71Å; S491-T493 VanDerWaalsContact C-N 3.27Å; S491-T493 PolarHBondContact OG-N 3.35Å; S491-T493 PolarHBondContact OG-OG1 2.91Å
492	W	93.6	Very high	78.4	Confident	6 Å²	6	76.2 Å²	76.2	2%	0.023	40%	0.397	C	S	.	.			trans	-82.1	-11.6	176.8	57.2	-91.9	0	0	0	112.4	S95 H96 N133 K139 T143 T144 P490	S95-W492 VanDerWaalsContact CB-O 3.26Å; S95-W492 WeakPolarHBondContact CB-O 3.39Å; S95-W492 PolarHBondContact OG-O 2.86Å; H96-W492 AromaticContact CD2-CE3 3.98Å; H96-W492 AromaticContact CD2-CZ3 3.44Å; H96-W492 VanDerWaalsContact CD2-CZ3 3.44Å; H96-W492 WeakPolarHBondContact CD2-CZ3 3.43Å; H96-W492 AromaticContact CE1-CE3 3.79Å; H96-W492 AromaticContact CE1-CZ3 3.87Å; H96-W492 PolarHBondContact CE1-O 3.48Å; H96-W492 AromaticContact CG-CE3 3.89Å; H96-W492 AromaticContact CG-CZ3 3.79Å; H96-W492 AromaticContact ND1-CE3 3.76Å; H96-W492 AromaticContact NE2-CE3 3.92Å; H96-W492 AromaticContact NE2-CZ3 3.51Å; N133-W492 HydrophobicContact CB-CH2 3.47Å; N133-W492 VanDerWaalsContact CB-CH2 3.47Å; N133-W492 HydrophobicContact CB-CZ2 4.07Å; N133-W492 HydrophobicContact CB-CZ3 3.97Å; K139-W492 HydrophobicContact CB-CZ2 3.93Å; K139-W492 HydrophobicContact CD-CD2 3.97Å; K139-W492 HydrophobicContact CD-CG 3.82Å; K139-W492 HydrophobicContact CG-CD2 3.94Å; K139-W492 HydrophobicContact CG-CG 4.28Å; K139-W492 HydrophobicContact CG-CH2 4.47Å; K139-W492 HydrophobicContact CG-CZ2 3.83Å; T143-W492 PolarHBondContact O-N 3.45Å; T143-W492 PolarHBondContact O-NE1 3.25Å; T144-W492 HydrophobicContact CG2-CH2 4.39Å; T144-W492 HydrophobicContact CG2-CZ2 3.69Å; T144-W492 WeakPolarHBondContact OG1-CZ2 3.32Å; T144-W492 PolarHBondContact OG1-NE1 3.16Å; P490-W492 PolarHBondContact O-N 2.88Å
493	T	93.1	Very high	81.2	Confident	13 Å²	13	67.9 Å²	67.9	8%	0.08	36%	0.361	C	S	.	.	S	Bend	trans	-77.4	159.5	-175.7	68.9	0	0	0	0	111.7	T144 S146 S491	T144-T493 HydrophobicContact CG2-CG2 4.22Å; T144-T493 VanDerWaalsContact O-CG2 3.29Å; T144-T493 WeakPolarHBondContact O-CG2 3.4Å; S146-T493 VanDerWaalsContact CB-OG1 3.29Å; S146-T493 WeakPolarHBondContact CB-OG1 3.25Å; S146-T493 PolarHBondContact OG-OG1 2.77Å; S491-T493 VanDerWaalsContact C-N 3.27Å; S491-T493 PolarHBondContact OG-N 3.35Å; S491-T493 PolarHBondContact OG-OG1 2.91Å
494	L	92.3	Very high	83.6	Confident	72 Å²	72	65.6 Å²	65.6	38%	0.377	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-71.8	150.9	169.6	-69.6	172.6	0	0	0	110.2	P93 M188 I496	P93-L494 HydrophobicContact CG-CD1 4.36Å; P93-L494 HydrophobicContact CG-CD2 3.93Å; P93-L494 HydrophobicContact CG-CG 4.08Å; M188-L494 HydrophobicContact CB-CB 4.21Å; M188-L494 HydrophobicContact CG-CB 4.2Å; L494-I496 PolarHBondContact O-N 2.62Å
495	P	93	Very high	85.7	Confident	74 Å²	74	61.2 Å²	61.2	48%	0.481	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-55.7	138.8	170.4	-22.6	33.2	0	0	0	110.7	T148 Q497	T148-P495 HydrophobicContact CG2-CB 3.97Å; T148-P495 WeakPolarHBondContact OG1-CA 3.37Å; P495-Q497 PolarHBondContact O-N 3.12Å
496	I	94.8	Very high	87.5	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-66.1	122.6	179.2	-58.6	168.1	0	0	0	108.5	T148 L150 P187 V191 L204 L208 L494 I498	T148-I496 HydrophobicContact CG2-CB 4.37Å; T148-I496 VanDerWaalsContact CG2-O 3.26Å; T148-I496 WeakPolarHBondContact CG2-O 3.46Å; T148-I496 PolarHBondContact OG1-N 2.96Å; L150-I496 HydrophobicContact CD1-CG2 4.47Å; L150-I496 HydrophobicContact CD2-CG2 4.32Å; L150-I496 VanDerWaalsContact CD2-O 3.24Å; L150-I496 WeakPolarHBondContact CD2-O 3.32Å; P187-I496 HydrophobicContact CB-CD1 3.8Å; P187-I496 HydrophobicContact CB-CG1 3.77Å; V191-I496 HydrophobicContact CG2-CG2 4.22Å; L204-I496 HydrophobicContact CD1-CD1 4.07Å; L204-I496 HydrophobicContact CD1-CG2 4.39Å; L208-I496 HydrophobicContact CD2-CD1 4.15Å; L494-I496 PolarHBondContact O-N 2.62Å; I496-I498 HydrophobicContact CG2-CG1 4.25Å
497	Q	92.9	Very high	89	Confident	137 Å²	137	57.7 Å²	57.7	64%	0.64	29%	0.293	S	S	*	.			trans	-126.4	123.4	175.5	-67.5	-176.1	-23.8	0	0	109	M188 P495	M188-Q497 HydrophobicContact CE-CB 4.06Å; M188-Q497 WeakPolarHBondContact CE-O 3.13Å; M188-Q497 HydrophobicContact SD-CB 4.23Å; M188-Q497 PolarHBondContact SD-N 3.2Å; M188-Q497 VanDerWaalsContact SD-N 3.36Å; P495-Q497 PolarHBondContact O-N 3.12Å
498	I	92.1	Very high	89.8	Confident	11 Å²	11	53.3 Å²	53.3	6%	0.056	27%	0.27	C	S	.	.			trans	-117.4	112.2	176	-53.5	-178.2	0	0	0	107.3	L150 Y152 F164 F168 V191 I496 L502 F503	L150-I498 HydrophobicContact CD1-CD1 3.76Å; L150-I498 HydrophobicContact CD1-CG1 4.22Å; Y152-I498 HydrophobicContact CE2-CB 4.23Å; Y152-I498 PolarHBondContact OH-O 3.17Å; F164-I498 HydrophobicContact CE1-CD1 3.64Å; F164-I498 HydrophobicContact CZ-CD1 3.85Å; F164-I498 HydrophobicContact CZ-CG2 4.39Å; F168-I498 HydrophobicContact CE2-CG2 4.49Å; V191-I498 HydrophobicContact CG1-CG1 4.06Å; V191-I498 HydrophobicContact CG2-CG1 4.47Å; I496-I498 HydrophobicContact CG2-CG1 4.25Å; I498-L502 HydrophobicContact CG2-CB 4.28Å; I498-F503 HydrophobicContact CG2-CB 3.97Å
499	E	89.9	Confident	89.8	Confident	134 Å²	134	58.7 Å²	58.7	63%	0.626	30%	0.299	S	S	*	.			trans	-58	143	175.1	-65	-172.6	172.4	0	0	110.7	K501 L502 F503	E499-K501 PolarHBondContact O-N 3.42Å; E499-K501 VanDerWaalsContact O-N 3.12Å; E499-L502 HydrophobicContact CB-CD1 4.44Å; E499-L502 HydrophobicContact CB-CG 4.4Å; E499-L502 PolarHBondContact O-N 3.16Å; E499-F503 PolarHBondContact O-N 3.34Å
500	Q	87.6	Confident	89.9	Confident	91 Å²	91	58.5 Å²	58.5	43%	0.425	30%	0.298	S	S	.	.	H	α-helix	trans	-56.7	-34.3	-178.5	-167.2	-178.6	10.2	0	0	112.3	Y152 F503 K504 L810	Y152-Q500 VanDerWaalsContact OH-CA 3.31Å; Y152-Q500 WeakPolarHBondContact OH-CA 3.36Å; Y152-Q500 PolarHBondContact OH-N 3.09Å; Q500-F503 PolarHBondContact O-N 3.09Å; Q500-K504 WeakPolarHBondContact O-CB 3.23Å; Q500-K504 WeakPolarHBondContact O-CG 3.22Å; Q500-K504 PolarHBondContact O-N 2.83Å; Q500-L810 HydrophobicContact CB-CD1 4.19Å; Q500-L810 HydrophobicContact CG-CD1 3.85Å
501	K	86.4	Confident	90.1	Very high	129 Å²	129	57.7 Å²	57.7	56%	0.561	29%	0.285	S	S	*	.	H	α-helix	trans	-61.6	-47.5	175.7	-175	-178	177.3	-175.7	0	111.9	E499 K504 L505 L810	E499-K501 PolarHBondContact O-N 3.42Å; E499-K501 VanDerWaalsContact O-N 3.12Å; K501-K504 PolarHBondContact O-N 3.44Å; K501-L505 HydrophobicContact CG-CD1 4.23Å; K501-L505 WeakPolarHBondContact O-CG 3.34Å; K501-L505 PolarHBondContact O-N 3.05Å; K501-L810 HydrophobicContact CB-CD1 4.4Å; K501-L810 HydrophobicContact CB-CD2 4.34Å
502	L	89.2	Confident	90.1	Very high	39 Å²	39	56.3 Å²	56.3	20%	0.204	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-40.8	178.9	-68.8	178.7	0	0	0	111.5	F168 I498 E499 K504 L505 R506	F168-L502 HydrophobicContact CE2-CB 4.09Å; F168-L502 HydrophobicContact CZ-CB 4.46Å; I498-L502 HydrophobicContact CG2-CB 4.28Å; E499-L502 HydrophobicContact CB-CD1 4.44Å; E499-L502 HydrophobicContact CB-CG 4.4Å; E499-L502 PolarHBondContact O-N 3.16Å; L502-K504 PolarHBondContact O-N 2.93Å; L502-L505 PolarHBondContact O-N 3.2Å; L502-R506 PolarHBondContact O-N 3.17Å
503	F	90.4	Very high	90	Very high	16 Å²	16	60.9 Å²	60.9	7%	0.07	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-46.5	175	-178.1	-99.1	0	0	0	111.7	Y152 L155 F164 I498 E499 Q500 R506	Y152-F503 AromaticContact CD1-CD1 3.6Å; Y152-F503 HydrophobicContact CD1-CD1 3.6Å; Y152-F503 HydrophobicContact CD1-CD2 4.12Å; Y152-F503 AromaticContact CD1-CE1 3.61Å; Y152-F503 HydrophobicContact CD1-CE1 3.61Å; Y152-F503 HydrophobicContact CD1-CE2 4.14Å; Y152-F503 AromaticContact CD1-CG 3.87Å; Y152-F503 HydrophobicContact CD1-CG 3.87Å; Y152-F503 AromaticContact CD1-CZ 3.9Å; Y152-F503 HydrophobicContact CD1-CZ 3.9Å; Y152-F503 AromaticContact CD2-CD2 3.75Å; Y152-F503 HydrophobicContact CD2-CD2 3.75Å; Y152-F503 AromaticContact CD2-CE2 3.98Å; Y152-F503 HydrophobicContact CD2-CE2 3.98Å; Y152-F503 HydrophobicContact CD2-CG 4.12Å; Y152-F503 HydrophobicContact CE1-CB 4.1Å; Y152-F503 AromaticContact CE1-CD1 3.62Å; Y152-F503 HydrophobicContact CE1-CD1 3.62Å; Y152-F503 HydrophobicContact CE1-CD2 4.32Å; Y152-F503 HydrophobicContact CE1-CE1 4.13Å; Y152-F503 AromaticContact CE1-CG 3.73Å; Y152-F503 HydrophobicContact CE1-CG 3.73Å; Y152-F503 HydrophobicContact CE2-CB 4.16Å; Y152-F503 AromaticContact CE2-CD2 3.98Å; Y152-F503 HydrophobicContact CE2-CD2 3.98Å; Y152-F503 HydrophobicContact CE2-CG 4.01Å; Y152-F503 HydrophobicContact CG-CD1 4.15Å; Y152-F503 AromaticContact CG-CD2 3.84Å; Y152-F503 HydrophobicContact CG-CD2 3.84Å; Y152-F503 HydrophobicContact CG-CE1 4.03Å; Y152-F503 AromaticContact CG-CE2 3.71Å; Y152-F503 HydrophobicContact CG-CE2 3.71Å; Y152-F503 HydrophobicContact CG-CG 4.07Å; Y152-F503 AromaticContact CG-CZ 3.81Å; Y152-F503 HydrophobicContact CG-CZ 3.81Å; Y152-F503 AromaticContact CZ-CG 3.81Å; L155-F503 HydrophobicContact CD1-CD2 4.38Å; L155-F503 HydrophobicContact CD1-CE2 3.9Å; L155-F503 HydrophobicContact CD2-CE2 4.13Å; L155-F503 HydrophobicContact CG-CE2 3.97Å; F164-F503 HydrophobicContact CD2-CD2 4.21Å; F164-F503 HydrophobicContact CD2-CE2 4.06Å; F164-F503 AromaticContact CE2-CD2 3.57Å; F164-F503 HydrophobicContact CE2-CD2 3.57Å; F164-F503 AromaticContact CE2-CE2 3.9Å; F164-F503 HydrophobicContact CE2-CE2 3.9Å; F164-F503 HydrophobicContact CE2-CG 4.47Å; F164-F503 AromaticContact CZ-CD2 3.91Å; F164-F503 HydrophobicContact CZ-CD2 3.91Å; F164-F503 HydrophobicContact CZ-CE2 4.44Å; I498-F503 HydrophobicContact CG2-CB 3.97Å; E499-F503 PolarHBondContact O-N 3.34Å; Q500-F503 PolarHBondContact O-N 3.09Å; F503-R506 WeakPolarHBondContact O-CG 3.39Å; F503-R506 PolarHBondContact O-N 3.12Å
504	K	86.4	Confident	89.9	Confident	54 Å²	54	61.6 Å²	61.6	24%	0.235	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-34.7	178.5	-72.4	-158.9	-171.2	-173.4	0	113.8	Q500 K501 L502 R506 D808 L810	Q500-K504 WeakPolarHBondContact O-CB 3.23Å; Q500-K504 WeakPolarHBondContact O-CG 3.22Å; Q500-K504 PolarHBondContact O-N 2.83Å; K501-K504 PolarHBondContact O-N 3.44Å; L502-K504 PolarHBondContact O-N 2.93Å; K504-R506 PolarHBondContact O-N 3.43Å; K504-D808 IonicContact NZ-OD1 3.78Å; K504-D808 PolarHBondContact NZ-OD1 2.75Å; K504-D808 IonicContact NZ-OD2 3.05Å; K504-D808 PolarHBondContact NZ-OD2 3.18Å; K504-L810 HydrophobicContact CB-CD1 4.48Å; K504-L810 HydrophobicContact CD-CD1 3.64Å; K504-L810 HydrophobicContact CG-CD1 4.12Å
505	L	87.3	Confident	89.9	Confident	45 Å²	45	61.6 Å²	61.6	24%	0.236	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-27.8	175	-79.6	166.7	0	0	0	111.8	K501 L502 Y507 A525	K501-L505 HydrophobicContact CG-CD1 4.23Å; K501-L505 WeakPolarHBondContact O-CG 3.34Å; K501-L505 PolarHBondContact O-N 3.05Å; L502-L505 PolarHBondContact O-N 3.2Å; L505-Y507 WeakPolarHBondContact O-CD2 3.41Å; L505-Y507 PolarHBondContact O-N 3.02Å; L505-A525 HydrophobicContact CD2-CB 4.21Å; L505-A525 WeakPolarHBondContact O-CB 3.29Å
506	R	87.5	Confident	89.8	Confident	72 Å²	72	58.7 Å²	58.7	27%	0.272	27%	0.273	S	S	.	.			trans	58.4	-30	179.9	-68.1	-171.9	178.2	-93.7	-3.9	116.6	E154 D167 F168 L502 F503 K504	E154-R506 IonicContact OE2-CZ 3.39Å; E154-R506 IonicContact OE2-NH1 3.7Å; E154-R506 IonicContact OE2-NH2 3.98Å; E154-R506 PolarHBondContact OE2-NH2 2.82Å; D167-R506 CarbonylContact C-O 3.54Å; D167-R506 VanDerWaalsContact C-O 3.28Å; F168-R506 WeakPolarHBondContact CA-O 3.34Å; F168-R506 PolarHBondContact N-O 3.34Å; L502-R506 PolarHBondContact O-N 3.17Å; F503-R506 WeakPolarHBondContact O-CG 3.39Å; F503-R506 PolarHBondContact O-N 3.12Å; K504-R506 PolarHBondContact O-N 3.43Å
507	Y	91.1	Very high	89.5	Confident	22 Å²	22	60.9 Å²	60.9	9%	0.086	28%	0.283	C	S	.	.	S	Bend	trans	-124.2	150	-176.1	-49.2	-72.8	0	0	0	109.9	D167 L505 N509 G510 K512 N523 A525	D167-Y507 HydrophobicContact CB-CD1 3.78Å; D167-Y507 HydrophobicContact CB-CE1 3.51Å; D167-Y507 VanDerWaalsContact CG-CE1 3.45Å; L505-Y507 WeakPolarHBondContact O-CD2 3.41Å; L505-Y507 PolarHBondContact O-N 3.02Å; Y507-N509 PolarHBondContact O-N 3.23Å; Y507-G510 PolarHBondContact O-N 2.92Å; Y507-K512 HydrophobicContact CD1-CB 3.47Å; Y507-K512 VanDerWaalsContact CD1-CB 3.47Å; Y507-K512 HydrophobicContact CD1-CD 4.01Å; Y507-K512 HydrophobicContact CD1-CG 4.36Å; Y507-K512 HydrophobicContact CE1-CB 4Å; Y507-K512 HydrophobicContact CE1-CD 4.41Å; Y507-K512 HydrophobicContact CG-CB 4.01Å; Y507-N523 HydrophobicContact CE1-CB 4.14Å; Y507-N523 HydrophobicContact CE2-CB 4.13Å; Y507-A525 HydrophobicContact CD2-CB 4.29Å
508	P	88.1	Confident	89.4	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.058	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-56.2	126	168.7	-24.5	36.5	0	0	0	110.3	D167 F168 N170 Q194 G510 F511	D167-P508 WeakPolarHBondContact O-CD 3.43Å; F168-P508 WeakPolarHBondContact O-CD 3.42Å; F168-P508 WeakPolarHBondContact O-CG 3.24Å; N170-P508 HydrophobicContact CB-CG 4.43Å; N170-P508 WeakPolarHBondContact ND2-CB 3.38Å; Q194-P508 HydrophobicContact CB-CB 4.32Å; Q194-P508 HydrophobicContact CB-CG 4.02Å; P508-G510 PolarHBondContact O-N 3.4Å; P508-F511 PolarHBondContact O-N 2.81Å
509	N	85	Confident	89.5	Confident	158 Å²	158	56.1 Å²	56.1	85%	0.845	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	57.7	14.4	-173.5	-53.4	-40.7	0	0	0	115.5	Y507 F511	Y507-N509 PolarHBondContact O-N 3.23Å; N509-F511 VanDerWaalsContact C-N 3.34Å; N509-F511 PolarHBondContact O-N 2.86Å
510	G	86.9	Confident	89.7	Confident	2 Å²	2	50.7 Å²	50.7	2%	0.021	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	74.9	15.9	178.8	0	0	0	0	0	115.3	Y507 P508 F524 A525	Y507-G510 PolarHBondContact O-N 2.92Å; P508-G510 PolarHBondContact O-N 3.4Å; G510-F524 WeakPolarHBondContact O-CA 3.21Å; G510-A525 PolarHBondContact O-N 3.32Å
511	F	91.7	Very high	90	Very high	81 Å²	81	46.4 Å²	46.4	36%	0.355	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.1	-178.9	170.4	-104.2	0	0	0	111.9	P508 N509 K513 E522 N523 F524	P508-F511 PolarHBondContact O-N 2.81Å; N509-F511 VanDerWaalsContact C-N 3.34Å; N509-F511 PolarHBondContact O-N 2.86Å; F511-K513 HydrophobicContact CE1-CB 4Å; F511-K513 HydrophobicContact CZ-CB 3.8Å; F511-E522 HydrophobicContact CE2-CB 3.97Å; F511-E522 HydrophobicContact CE2-CG 4.2Å; F511-E522 HydrophobicContact CZ-CG 4.34Å; F511-N523 WeakPolarHBondContact CA-O 3.41Å; F511-F524 AromaticContact CD2-CD1 3.62Å; F511-F524 HydrophobicContact CD2-CD1 3.62Å; F511-F524 AromaticContact CD2-CE1 3.33Å; F511-F524 HydrophobicContact CD2-CE1 3.33Å; F511-F524 HydrophobicContact CD2-CG 4.38Å; F511-F524 AromaticContact CD2-CZ 3.87Å; F511-F524 HydrophobicContact CD2-CZ 3.87Å; F511-F524 HydrophobicContact CE2-CD1 4.32Å; F511-F524 AromaticContact CE2-CE1 3.63Å; F511-F524 HydrophobicContact CE2-CE1 3.63Å; F511-F524 HydrophobicContact CE2-CE2 4.47Å; F511-F524 AromaticContact CE2-CZ 3.71Å; F511-F524 HydrophobicContact CE2-CZ 3.71Å; F511-F524 HydrophobicContact CG-CE1 4.42Å
512	K	92	Very high	90.5	Very high	16 Å²	16	41.7 Å²	41.7	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	131.1	171.6	-171	165.4	-172.7	168	0	111.6	A166 L169 Y507 N523	A166-K512 PolarHBondContact O-NZ 3.42Å; L169-K512 PolarHBondContact O-NZ 3.37Å; Y507-K512 HydrophobicContact CD1-CB 3.47Å; Y507-K512 VanDerWaalsContact CD1-CB 3.47Å; Y507-K512 HydrophobicContact CD1-CD 4.01Å; Y507-K512 HydrophobicContact CD1-CG 4.36Å; Y507-K512 HydrophobicContact CE1-CB 4Å; Y507-K512 HydrophobicContact CE1-CD 4.41Å; Y507-K512 HydrophobicContact CG-CB 4.01Å; K512-N523 PolarHBondContact N-O 2.81Å; K512-N523 PolarHBondContact O-N 2.82Å
513	K	92.6	Very high	90.7	Very high	101 Å²	101	40.4 Å²	40.4	44%	0.439	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.9	177.3	-177.1	170.8	179.7	159.1	0	110.8	F511 I520 V521 E522	F511-K513 HydrophobicContact CE1-CB 4Å; F511-K513 HydrophobicContact CZ-CB 3.8Å; K513-I520 HydrophobicContact CD-CG2 4.39Å; K513-I520 VanDerWaalsContact CE-CG2 3.48Å; K513-I520 HydrophobicContact CG-CG2 4.22Å; K513-V521 CarbonylContact C-O 3.55Å; K513-V521 WeakPolarHBondContact CA-O 3.39Å; K513-E522 HydrophobicContact CD-CG 4.4Å; K513-E522 HydrophobicContact CG-CG 4.2Å; K513-E522 IonicContact NZ-OE1 3.53Å
514	R	91.1	Very high	90.9	Very high	29 Å²	29	40.4 Å²	40.4	11%	0.109	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.9	174.3	-60.3	-174.5	-170.9	-158	5.5	110	D167 E232 Y516 V521	D167-R514 IonicContact OD1-CZ 3.92Å; D167-R514 IonicContact OD1-NH2 3.89Å; D167-R514 PolarHBondContact OD1-NH2 3.29Å; E232-R514 IonicContact OE1-NH1 3.36Å; E232-R514 WeakPolarHBondContact OE2-CD 3.5Å; E232-R514 IonicContact OE2-NH1 2.78Å; R514-Y516 HydrophobicContact CB-CD2 4.48Å; R514-Y516 HydrophobicContact CB-CE2 3.78Å; R514-Y516 WeakPolarHBondContact CD-OH 3.4Å; R514-V521 PolarHBondContact N-O 2.78Å; R514-V521 PolarHBondContact O-N 2.93Å
515	L	91.7	Very high	91	Very high	72 Å²	72	37.9 Å²	37.9	38%	0.377	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.4	-179.6	-57.7	176.3	0	0	0	108.6	E232 T233 I520 L545	E232-L515 CarbonylContact C-O 3.52Å; E232-L515 WeakPolarHBondContact CB-O 3.36Å; T233-L515 HydrophobicContact CG2-CB 3.84Å; T233-L515 HydrophobicContact CG2-CD1 4.45Å; T233-L515 PolarHBondContact N-O 2.79Å; L515-I520 HydrophobicContact CD2-CB 4.41Å; L515-I520 HydrophobicContact CD2-CD1 4.08Å; L515-I520 HydrophobicContact CD2-CG1 3.7Å; L515-I520 HydrophobicContact CD2-CG2 4.18Å; L515-L545 HydrophobicContact CD2-CD1 4.17Å
516	Y	91.3	Very high	90.9	Very high	12 Å²	12	38.1 Å²	38.1	5%	0.047	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	175.1	-179.7	-69.5	-75.7	0	0	0	110.3	E232 T233 E235 C237 R514 Y518 S519 V521	E232-Y516 HydrophobicContact CB-CD1 3.92Å; E232-Y516 HydrophobicContact CB-CE1 3.72Å; E232-Y516 HydrophobicContact CG-CE1 4.15Å; E232-Y516 WeakPolarHBondContact O-CA 3.26Å; E232-Y516 WeakPolarHBondContact OE1-CE1 3.36Å; E232-Y516 PolarHBondContact OE1-OH 2.95Å; E232-Y516 PolarHBondContact OE2-OH 2.96Å; T233-Y516 CarbonylContact O-C 3.57Å; E235-Y516 HydrophobicContact CB-CD1 4.42Å; C237-Y516 HydrophobicContact CB-CD1 4.5Å; C237-Y516 HydrophobicContact CB-CD2 4.07Å; C237-Y516 HydrophobicContact CB-CG 3.86Å; R514-Y516 HydrophobicContact CB-CD2 4.48Å; R514-Y516 HydrophobicContact CB-CE2 3.78Å; R514-Y516 WeakPolarHBondContact CD-OH 3.4Å; Y516-Y518 PolarHBondContact O-N 2.79Å; Y516-Y518 VanDerWaalsContact O-N 3.16Å; Y516-S519 WeakPolarHBondContact CB-OG 3.23Å; Y516-S519 PolarHBondContact N-O 3.27Å; Y516-S519 PolarHBondContact O-N 3.26Å; Y516-S519 VanDerWaalsContact O-O 3.08Å; Y516-V521 HydrophobicContact CD2-CB 4.25Å; Y516-V521 HydrophobicContact CD2-CG2 3.67Å; Y516-V521 HydrophobicContact CE2-CB 4.06Å; Y516-V521 HydrophobicContact CE2-CG2 3.76Å
517	K	88.4	Confident	90.7	Very high	49 Å²	49	36.9 Å²	36.9	21%	0.213	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-57.7	121.1	172.4	-160.2	-172.3	-176.1	-174.8	0	109.3	T233 E235 S519	T233-K517 VanDerWaalsContact O-CA 3.26Å; T233-K517 WeakPolarHBondContact O-CA 3.23Å; T233-K517 PolarHBondContact O-N 3.25Å; T233-K517 VanDerWaalsContact O-N 3.12Å; E235-K517 WeakPolarHBondContact O-CB 3.43Å; E235-K517 PolarHBondContact O-N 2.7Å; K517-S519 PolarHBondContact O-N 3.15Å; K517-S519 PolarHBondContact O-OG 2.84Å
518	Y	90.5	Very high	90.5	Very high	47 Å²	47	38 Å²	38	18%	0.184	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	16.7	-177.5	-48.3	-66.2	0	0	0	116	E301 Y516 I539 F540 H543	E301-Y518 WeakPolarHBondContact OE1-CE1 3.38Å; E301-Y518 PolarHBondContact OE1-OH 3.2Å; E301-Y518 PolarHBondContact OE2-OH 3.12Å; Y516-Y518 PolarHBondContact O-N 2.79Å; Y516-Y518 VanDerWaalsContact O-N 3.16Å; Y518-I539 CarbonylContact O-C 3.49Å; Y518-F540 PolarHBondContact O-N 3.06Å; Y518-H543 HydrophobicContact CD1-CB 4.37Å; Y518-H543 HydrophobicContact CE1-CB 3.95Å
519	S	93.9	Very high	90.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	150.5	-172.4	49.6	0	0	0	0	114.3	C237 Y516 K517 T538	C237-S519 WeakPolarHBondContact CB-OG 3.11Å; Y516-S519 WeakPolarHBondContact CB-OG 3.23Å; Y516-S519 PolarHBondContact N-O 3.27Å; Y516-S519 PolarHBondContact O-N 3.26Å; Y516-S519 VanDerWaalsContact O-O 3.08Å; K517-S519 PolarHBondContact O-N 3.15Å; K517-S519 PolarHBondContact O-OG 2.84Å; S519-T538 CarbonylContact C-O 3.33Å; S519-T538 WeakPolarHBondContact CA-O 3.24Å
520	I	94.7	Very high	90.5	Very high	20 Å²	20	38.5 Å²	38.5	10%	0.103	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.1	175.5	-61.6	-179.4	0	0	0	107.6	K513 L515 E522 L537 T538 F540 L545	K513-I520 HydrophobicContact CD-CG2 4.39Å; K513-I520 VanDerWaalsContact CE-CG2 3.48Å; K513-I520 HydrophobicContact CG-CG2 4.22Å; L515-I520 HydrophobicContact CD2-CB 4.41Å; L515-I520 HydrophobicContact CD2-CD1 4.08Å; L515-I520 HydrophobicContact CD2-CG1 3.7Å; L515-I520 HydrophobicContact CD2-CG2 4.18Å; I520-E522 HydrophobicContact CG2-CG 4.14Å; I520-L537 WeakPolarHBondContact O-CA 3.29Å; I520-T538 PolarHBondContact N-O 2.99Å; I520-T538 PolarHBondContact O-N 2.77Å; I520-F540 HydrophobicContact CB-CE2 4.21Å; I520-F540 HydrophobicContact CD1-CE2 3.59Å; I520-F540 HydrophobicContact CD1-CZ 3.7Å; I520-F540 HydrophobicContact CG1-CD2 4.46Å; I520-F540 HydrophobicContact CG1-CE2 3.62Å; I520-F540 HydrophobicContact CG1-CZ 4.26Å; I520-L545 HydrophobicContact CD1-CD1 4.09Å; I520-L545 HydrophobicContact CG1-CD1 3.9Å
521	V	95	Very high	90.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.5	176.5	175.3	0	0	0	0	109.1	C237 Y239 K513 R514 Y516 L535 L537	C237-V521 VanDerWaalsContact SG-CG2 3.5Å; Y239-V521 HydrophobicContact CD2-CG1 4.31Å; Y239-V521 HydrophobicContact CD2-CG2 3.95Å; Y239-V521 HydrophobicContact CE2-CG1 3.78Å; Y239-V521 HydrophobicContact CE2-CG2 4.2Å; K513-V521 CarbonylContact C-O 3.55Å; K513-V521 WeakPolarHBondContact CA-O 3.39Å; R514-V521 PolarHBondContact N-O 2.78Å; R514-V521 PolarHBondContact O-N 2.93Å; Y516-V521 HydrophobicContact CD2-CB 4.25Å; Y516-V521 HydrophobicContact CD2-CG2 3.67Å; Y516-V521 HydrophobicContact CE2-CB 4.06Å; Y516-V521 HydrophobicContact CE2-CG2 3.76Å; V521-L535 HydrophobicContact CG1-CD1 3.71Å; V521-L537 HydrophobicContact CG2-CD1 3.77Å
522	E	95.2	Very high	90.6	Very high	30 Å²	30	36.7 Å²	36.7	14%	0.14	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	111.3	175.2	-66	-175.6	143.9	0	0	108.6	F511 K513 I520 F524 L535 R536	F511-E522 HydrophobicContact CE2-CB 3.97Å; F511-E522 HydrophobicContact CE2-CG 4.2Å; F511-E522 HydrophobicContact CZ-CG 4.34Å; K513-E522 HydrophobicContact CD-CG 4.4Å; K513-E522 HydrophobicContact CG-CG 4.2Å; K513-E522 IonicContact NZ-OE1 3.53Å; I520-E522 HydrophobicContact CG2-CG 4.14Å; E522-F524 HydrophobicContact CB-CE2 3.86Å; E522-F524 HydrophobicContact CB-CZ 4.13Å; E522-L535 CarbonylContact O-C 3.45Å; E522-L535 WeakPolarHBondContact O-CA 3.37Å; E522-R536 HydrophobicContact CB-CB 4.23Å; E522-R536 PolarHBondContact N-O 2.78Å; E522-R536 PolarHBondContact O-N 2.74Å; E522-R536 WeakPolarHBondContact OE2-CD 3.47Å; E522-R536 IonicContact OE2-NH1 3.2Å; E522-R536 PolarHBondContact OE2-NH1 3.25Å
523	N	94.2	Very high	90.7	Very high	12 Å²	12	36 Å²	36	6%	0.064	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136	176.6	-69.4	-62.6	0	0	0	110.1	Y507 F511 K512 L535	Y507-N523 HydrophobicContact CE1-CB 4.14Å; Y507-N523 HydrophobicContact CE2-CB 4.13Å; F511-N523 WeakPolarHBondContact CA-O 3.41Å; K512-N523 PolarHBondContact N-O 2.81Å; K512-N523 PolarHBondContact O-N 2.82Å; N523-L535 WeakPolarHBondContact OD1-CD1 3.46Å
524	F	93.6	Very high	90.7	Very high	17 Å²	17	33.6 Å²	33.6	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.9	177.8	-57.4	-90.4	0	0	0	109.4	G510 F511 E522 Q529 L533 I534 R536	G510-F524 WeakPolarHBondContact O-CA 3.21Å; F511-F524 AromaticContact CD2-CD1 3.62Å; F511-F524 HydrophobicContact CD2-CD1 3.62Å; F511-F524 AromaticContact CD2-CE1 3.33Å; F511-F524 HydrophobicContact CD2-CE1 3.33Å; F511-F524 HydrophobicContact CD2-CG 4.38Å; F511-F524 AromaticContact CD2-CZ 3.87Å; F511-F524 HydrophobicContact CD2-CZ 3.87Å; F511-F524 HydrophobicContact CE2-CD1 4.32Å; F511-F524 AromaticContact CE2-CE1 3.63Å; F511-F524 HydrophobicContact CE2-CE1 3.63Å; F511-F524 HydrophobicContact CE2-CE2 4.47Å; F511-F524 AromaticContact CE2-CZ 3.71Å; F511-F524 HydrophobicContact CE2-CZ 3.71Å; F511-F524 HydrophobicContact CG-CE1 4.42Å; E522-F524 HydrophobicContact CB-CE2 3.86Å; E522-F524 HydrophobicContact CB-CZ 4.13Å; F524-Q529 HydrophobicContact CB-CG 4.02Å; F524-Q529 HydrophobicContact CD1-CG 3.66Å; F524-Q529 HydrophobicContact CE1-CG 4.28Å; F524-Q529 HydrophobicContact CG-CG 3.86Å; F524-L533 WeakPolarHBondContact CB-O 3.29Å; F524-L533 HydrophobicContact CD2-CD2 3.96Å; F524-L533 HydrophobicContact CD2-CG 4.01Å; F524-L533 HydrophobicContact CE2-CD2 3.61Å; F524-L533 HydrophobicContact CE2-CG 4.15Å; F524-L533 HydrophobicContact CZ-CD2 4.16Å; F524-I534 PolarHBondContact N-O 3.06Å; F524-R536 HydrophobicContact CE2-CB 4.35Å
525	A	89.7	Confident	90.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.			trans	-64.6	144.7	174.9	0	0	0	0	0	110.4	L505 Y507 G510 Y527 S528	L505-A525 HydrophobicContact CD2-CB 4.21Å; L505-A525 WeakPolarHBondContact O-CB 3.29Å; Y507-A525 HydrophobicContact CD2-CB 4.29Å; G510-A525 PolarHBondContact O-N 3.32Å; A525-Y527 PolarHBondContact O-N 3.44Å; A525-S528 PolarHBondContact N-OG 3.33Å; A525-S528 VanDerWaalsContact O-CB 3.27Å; A525-S528 WeakPolarHBondContact O-CB 3.27Å; A525-S528 PolarHBondContact O-N 3.33Å; A525-S528 PolarHBondContact O-OG 3.03Å
526	P	85.6	Confident	91.1	Very high	50 Å²	50	33.1 Å²	33.1	33%	0.325	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	135.3	171.1	-26	34.7	0	0	0	111.3	S528	P526-S528 PolarHBondContact O-N 3.49Å; P526-S528 VanDerWaalsContact O-N 3.17Å
527	Y	83.7	Confident	91.4	Very high	47 Å²	47	33.2 Å²	33.2	18%	0.184	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	5.2	-177	-45.7	-80.8	0	0	0	116.5	A525 N557 L802 M804 H811	A525-Y527 PolarHBondContact O-N 3.44Å; Y527-N557 HydrophobicContact CD1-CB 4.4Å; Y527-N557 HydrophobicContact CE1-CB 3.63Å; Y527-N557 WeakPolarHBondContact CE2-ND2 3.45Å; Y527-N557 PolarHBondContact OH-ND2 2.82Å; Y527-L802 HydrophobicContact CD1-CB 4.44Å; Y527-L802 HydrophobicContact CD1-CD1 4.08Å; Y527-M804 HydrophobicContact CE1-CG 4.27Å; Y527-H811 VanDerWaalsContact CB-CD2 3.5Å; Y527-H811 WeakPolarHBondContact CB-CD2 3.33Å; Y527-H811 AromaticContact CD2-CD2 3.97Å; Y527-H811 AromaticContact CD2-CE1 3.5Å; Y527-H811 AromaticContact CD2-CG 3.71Å; Y527-H811 AromaticContact CD2-ND1 3.42Å; Y527-H811 WeakPolarHBondContact CD2-ND1 3.17Å; Y527-H811 AromaticContact CD2-NE2 3.87Å; Y527-H811 AromaticContact CE2-ND1 3.81Å; Y527-H811 HydrophobicContact CG-CB 4.44Å; Y527-H811 AromaticContact CG-CD2 3.86Å; Y527-H811 AromaticContact CG-CG 3.84Å
528	S	85	Confident	91.7	Very high	46 Å²	46	31.8 Å²	31.8	32%	0.322	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-36.3	175.2	64.7	0	0	0	0	112.9	A525 P526	A525-S528 PolarHBondContact N-OG 3.33Å; A525-S528 VanDerWaalsContact O-CB 3.27Å; A525-S528 WeakPolarHBondContact O-CB 3.27Å; A525-S528 PolarHBondContact O-N 3.33Å; A525-S528 PolarHBondContact O-OG 3.03Å; P526-S528 PolarHBondContact O-N 3.49Å; P526-S528 VanDerWaalsContact O-N 3.17Å
529	Q	88.4	Confident	91.9	Very high	69 Å²	69	31.1 Å²	31.1	32%	0.322	17%	0.169	S	C	.	.	S	Bend	trans	-94.6	138.1	175.1	-57.2	-58.5	-61.6	0	0	110.1	F524 D531 G532 L533	F524-Q529 HydrophobicContact CB-CG 4.02Å; F524-Q529 HydrophobicContact CD1-CG 3.66Å; F524-Q529 HydrophobicContact CE1-CG 4.28Å; F524-Q529 HydrophobicContact CG-CG 3.86Å; Q529-D531 WeakPolarHBondContact CB-OD1 3.41Å; Q529-D531 PolarHBondContact O-N 2.8Å; Q529-G532 PolarHBondContact O-N 3.45Å; Q529-G532 VanDerWaalsContact O-N 3.14Å; Q529-L533 HydrophobicContact CB-CB 4.18Å; Q529-L533 HydrophobicContact CG-CB 4.22Å
530	S	86.5	Confident	91.8	Very high	108 Å²	108	32.1 Å²	32.1	76%	0.755	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.1	-179.3	52.5	0	0	0	0	113.5
531	D	90	Very high	91.5	Very high	43 Å²	43	38.4 Å²	38.4	23%	0.23	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-4.7	177.2	63.9	-2.6	0	0	0	113.3	Q529 L533 R558 V800	Q529-D531 WeakPolarHBondContact CB-OD1 3.41Å; Q529-D531 PolarHBondContact O-N 2.8Å; D531-L533 VanDerWaalsContact C-N 3.34Å; D531-L533 VanDerWaalsContact OD1-CB 3.23Å; D531-L533 WeakPolarHBondContact OD1-CB 3.3Å; D531-L533 PolarHBondContact OD1-N 2.87Å; D531-R558 WeakPolarHBondContact O-CD 3.49Å; D531-R558 PolarHBondContact O-NH1 2.92Å; D531-V800 HydrophobicContact CB-CG2 4.5Å
532	G	89.8	Confident	91.1	Very high	2 Å²	2	39.6 Å²	39.6	2%	0.021	21%	0.208	C	C	.	.			trans	79.1	12.4	-177.9	0	0	0	0	0	114.6	Q529 I534 Y555 A556	Q529-G532 PolarHBondContact O-N 3.45Å; Q529-G532 VanDerWaalsContact O-N 3.14Å; G532-I534 PolarHBondContact O-N 3.2Å; G532-Y555 CarbonylContact O-C 3.59Å; G532-Y555 VanDerWaalsContact O-CA 3.31Å; G532-Y555 WeakPolarHBondContact O-CA 3.21Å; G532-A556 PolarHBondContact O-N 2.98Å
533	L	93.5	Very high	90.5	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	129.7	175.5	-176.2	71.5	0	0	0	110.7	F524 Q529 D531 L535 R536 E553 Y555	F524-L533 WeakPolarHBondContact CB-O 3.29Å; F524-L533 HydrophobicContact CD2-CD2 3.96Å; F524-L533 HydrophobicContact CD2-CG 4.01Å; F524-L533 HydrophobicContact CE2-CD2 3.61Å; F524-L533 HydrophobicContact CE2-CG 4.15Å; F524-L533 HydrophobicContact CZ-CD2 4.16Å; Q529-L533 HydrophobicContact CB-CB 4.18Å; Q529-L533 HydrophobicContact CG-CB 4.22Å; D531-L533 VanDerWaalsContact C-N 3.34Å; D531-L533 VanDerWaalsContact OD1-CB 3.23Å; D531-L533 WeakPolarHBondContact OD1-CB 3.3Å; D531-L533 PolarHBondContact OD1-N 2.87Å; L533-L535 WeakPolarHBondContact CD1-O 3.48Å; L533-R536 HydrophobicContact CD2-CB 4.48Å; L533-E553 HydrophobicContact CD1-CB 3.7Å; L533-E553 HydrophobicContact CD1-CG 4.03Å; L533-Y555 HydrophobicContact CB-CD1 4.15Å; L533-Y555 HydrophobicContact CB-CE1 4.1Å; L533-Y555 HydrophobicContact CD1-CD1 4.29Å; L533-Y555 HydrophobicContact CD1-CE1 3.98Å
534	I	93.7	Very high	90	Very high	49 Å²	49	44.8 Å²	44.8	25%	0.251	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-24.7	177.2	56.6	159.2	0	0	0	113.2	F524 G532 T554 A556	F524-I534 PolarHBondContact N-O 3.06Å; G532-I534 PolarHBondContact O-N 3.2Å; I534-T554 HydrophobicContact CD1-CG2 4.23Å; I534-T554 HydrophobicContact CG1-CG2 4.33Å; I534-T554 VanDerWaalsContact CG1-O 3.24Å; I534-T554 WeakPolarHBondContact CG1-O 3.35Å; I534-T554 PolarHBondContact N-O 3.39Å; I534-A556 HydrophobicContact CD1-CB 3.85Å; I534-A556 HydrophobicContact CG1-CB 4.19Å; I534-A556 HydrophobicContact CG2-CB 3.83Å
535	L	95.1	Very high	89.6	Confident	21 Å²	21	46 Å²	46	11%	0.11	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	131.6	-179.6	174.8	77.5	0	0	0	109.1	Y239 V521 E522 N523 L533 E553 T554	Y239-L535 HydrophobicContact CD1-CD2 3.87Å; Y239-L535 HydrophobicContact CE1-CD1 4.17Å; Y239-L535 HydrophobicContact CE1-CD2 3.69Å; Y239-L535 HydrophobicContact CE2-CD1 4.22Å; V521-L535 HydrophobicContact CG1-CD1 3.71Å; E522-L535 CarbonylContact O-C 3.45Å; E522-L535 WeakPolarHBondContact O-CA 3.37Å; N523-L535 WeakPolarHBondContact OD1-CD1 3.46Å; L533-L535 WeakPolarHBondContact CD1-O 3.48Å; L535-E553 CarbonylContact O-C 3.54Å; L535-E553 WeakPolarHBondContact O-CA 3.5Å; L535-T554 PolarHBondContact N-O 3.31Å; L535-T554 PolarHBondContact O-N 2.86Å
536	R	96.6	Very high	89.5	Confident	71 Å²	71	50 Å²	50	27%	0.268	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.9	164.3	179.7	-175.3	-64.7	141.8	-2.7	109.3	E522 F524 L533 V551 E553	E522-R536 HydrophobicContact CB-CB 4.23Å; E522-R536 PolarHBondContact N-O 2.78Å; E522-R536 PolarHBondContact O-N 2.74Å; E522-R536 WeakPolarHBondContact OE2-CD 3.47Å; E522-R536 IonicContact OE2-NH1 3.2Å; E522-R536 PolarHBondContact OE2-NH1 3.25Å; F524-R536 HydrophobicContact CE2-CB 4.35Å; L533-R536 HydrophobicContact CD2-CB 4.48Å; R536-V551 HydrophobicContact CG-CG1 3.89Å; R536-E553 HydrophobicContact CB-CG 4.4Å; R536-E553 HydrophobicContact CG-CG 4.07Å; R536-E553 IonicContact CZ-OE1 3.83Å; R536-E553 IonicContact NE-OE1 2.74Å; R536-E553 PolarHBondContact NE-OE1 2.89Å; R536-E553 IonicContact NH2-OE1 2.59Å; R536-E553 PolarHBondContact NH2-OE1 2.99Å; R536-E553 VanDerWaalsContact NH2-OE1 3.07Å
537	L	95.9	Very high	89.7	Confident	13 Å²	13	52 Å²	52	7%	0.068	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.5	173.3	174.8	64.5	0	0	0	108.3	L240 I520 V521 I539 V551 S552	L240-L537 HydrophobicContact CD2-CD2 3.89Å; I520-L537 WeakPolarHBondContact O-CA 3.29Å; V521-L537 HydrophobicContact CG2-CD1 3.77Å; L537-I539 HydrophobicContact CD2-CD1 4.35Å; L537-I539 HydrophobicContact CD2-CG1 4.32Å; L537-I539 HydrophobicContact CG-CG1 4.09Å; L537-V551 CarbonylContact O-C 3.42Å; L537-V551 WeakPolarHBondContact O-CA 3.44Å; L537-S552 PolarHBondContact N-O 2.88Å; L537-S552 PolarHBondContact O-N 3.04Å
538	T	95.7	Very high	90.1	Very high	20 Å²	20	52.4 Å²	52.4	12%	0.123	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122	171.6	-53.3	0	0	0	0	108.7	S519 I520 F540 P548 V551	S519-T538 CarbonylContact C-O 3.33Å; S519-T538 WeakPolarHBondContact CA-O 3.24Å; I520-T538 PolarHBondContact N-O 2.99Å; I520-T538 PolarHBondContact O-N 2.77Å; T538-F540 HydrophobicContact CG2-CD2 4.15Å; T538-F540 HydrophobicContact CG2-CE1 4.39Å; T538-F540 HydrophobicContact CG2-CE2 3.4Å; T538-F540 HydrophobicContact CG2-CZ 3.55Å; T538-P548 HydrophobicContact CG2-CB 3.82Å; T538-V551 HydrophobicContact CG2-CG2 4.13Å
539	I	93.6	Very high	90.5	Very high	32 Å²	32	52.6 Å²	52.6	16%	0.164	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.7	178.6	-53.1	174	0	0	0	107.9	L240 Y518 L537 P548 T549 E550	L240-I539 HydrophobicContact CD2-CD1 3.67Å; L240-I539 HydrophobicContact CD2-CG1 4.24Å; Y518-I539 CarbonylContact O-C 3.49Å; L537-I539 HydrophobicContact CD2-CD1 4.35Å; L537-I539 HydrophobicContact CD2-CG1 4.32Å; L537-I539 HydrophobicContact CG-CG1 4.09Å; I539-P548 CarbonylContact O-C 3.45Å; I539-P548 WeakPolarHBondContact O-CA 3.33Å; I539-T549 PolarHBondContact O-N 3.32Å; I539-T549 PolarHBondContact O-OG1 2.94Å; I539-T549 VanDerWaalsContact O-OG1 3.08Å; I539-E550 HydrophobicContact CB-CB 4.38Å; I539-E550 HydrophobicContact CD1-CB 4.38Å; I539-E550 PolarHBondContact N-O 2.88Å; I539-E550 PolarHBondContact O-N 2.8Å
540	F	92.8	Very high	90.8	Very high	22 Å²	22	52.1 Å²	52.1	10%	0.096	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	154.7	-178.5	-66.3	-98.3	0	0	0	110.5	Y518 I520 T538 L545 N547 P548	Y518-F540 PolarHBondContact O-N 3.06Å; I520-F540 HydrophobicContact CB-CE2 4.21Å; I520-F540 HydrophobicContact CD1-CE2 3.59Å; I520-F540 HydrophobicContact CD1-CZ 3.7Å; I520-F540 HydrophobicContact CG1-CD2 4.46Å; I520-F540 HydrophobicContact CG1-CE2 3.62Å; I520-F540 HydrophobicContact CG1-CZ 4.26Å; T538-F540 HydrophobicContact CG2-CD2 4.15Å; T538-F540 HydrophobicContact CG2-CE1 4.39Å; T538-F540 HydrophobicContact CG2-CE2 3.4Å; T538-F540 HydrophobicContact CG2-CZ 3.55Å; F540-L545 HydrophobicContact CB-CD2 4.1Å; F540-L545 VanDerWaalsContact CD1-CA 3.46Å; F540-L545 HydrophobicContact CD1-CB 4.09Å; F540-L545 WeakPolarHBondContact CD1-O 3.44Å; F540-L545 HydrophobicContact CD2-CB 4.26Å; F540-L545 HydrophobicContact CD2-CD2 3.61Å; F540-L545 VanDerWaalsContact CE1-C 3.4Å; F540-L545 HydrophobicContact CE1-CB 4.12Å; F540-L545 WeakPolarHBondContact CE1-O 3.49Å; F540-L545 HydrophobicContact CE2-CB 4.3Å; F540-L545 HydrophobicContact CE2-CD2 4.19Å; F540-L545 HydrophobicContact CG-CB 4.16Å; F540-L545 HydrophobicContact CG-CD2 3.87Å; F540-L545 HydrophobicContact CZ-CB 4.23Å; F540-N547 WeakPolarHBondContact CA-O 3.45Å; F540-P548 HydrophobicContact CD1-CB 3.95Å; F540-P548 HydrophobicContact CE1-CB 3.72Å; F540-P548 HydrophobicContact CE1-CG 4.25Å; F540-P548 HydrophobicContact CZ-CB 4.21Å
541	Q	88	Confident	91.2	Very high	152 Å²	152	48.1 Å²	48.1	71%	0.71	25%	0.248	S	C	*	.	S	Bend	trans	-78.3	-28.2	171.9	-171	173.5	-0.7	0	0	111.6	N547 T549	Q541-N547 PolarHBondContact N-O 3.21Å; Q541-T549 HydrophobicContact CB-CG2 3.67Å
542	D	87	Confident	91.5	Very high	25 Å²	25	47.4 Å²	47.4	13%	0.134	25%	0.247	C	C	.	.	S	Bend	trans	-118.2	150.5	-171.3	63.6	-58.8	0	0	0	112.2	E544 L545 T546 N547	D542-E544 PolarHBondContact O-N 2.81Å; D542-L545 PolarHBondContact O-N 3.08Å; D542-L545 PolarHBondContact OD2-N 2.8Å; D542-T546 VanDerWaalsContact CG-OG1 3.31Å; D542-T546 PolarHBondContact OD1-N 2.84Å; D542-T546 WeakPolarHBondContact OD2-CB 3.42Å; D542-T546 PolarHBondContact OD2-N 3.46Å; D542-T546 PolarHBondContact OD2-OG1 2.79Å; D542-N547 WeakPolarHBondContact OD1-CB 3.31Å; D542-N547 PolarHBondContact OD1-N 3.29Å
543	H	82	Confident	91.8	Very high	29 Å²	29	48.6 Å²	48.6	13%	0.134	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.6	178.5	-165.5	-57.7	0	0	0	112.5	Y305 Y518 L545	Y305-H543 HydrophobicContact CD1-CB 4.13Å; Y305-H543 AromaticContact CD1-CG 3.83Å; Y305-H543 HydrophobicContact CD2-CB 4.13Å; Y305-H543 AromaticContact CD2-CD2 3.98Å; Y305-H543 HydrophobicContact CE1-CB 3.68Å; Y305-H543 AromaticContact CE1-CG 3.88Å; Y305-H543 HydrophobicContact CE2-CB 3.64Å; Y305-H543 HydrophobicContact CG-CB 4.35Å; Y305-H543 AromaticContact CG-CD2 3.84Å; Y305-H543 AromaticContact CG-CG 3.99Å; Y305-H543 VanDerWaalsContact CZ-CB 3.41Å; Y518-H543 HydrophobicContact CD1-CB 4.37Å; Y518-H543 HydrophobicContact CE1-CB 3.95Å; H543-L545 PolarHBondContact O-N 2.8Å
544	E	83.2	Confident	91.9	Very high	122 Å²	122	50.5 Å²	50.5	57%	0.57	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-3.5	176.4	-63.8	175.2	-168.7	0	0	112.3	R304 D542 T546	R304-E544 IonicContact NH2-OE1 3.71Å; D542-E544 PolarHBondContact O-N 2.81Å; E544-T546 VanDerWaalsContact C-N 3.31Å; E544-T546 HydrophobicContact CB-CG2 4.01Å; E544-T546 PolarHBondContact O-N 3.4Å
545	L	86.5	Confident	92	Very high	42 Å²	42	48.7 Å²	48.7	22%	0.22	25%	0.254	C	S	.	.	S	Bend	trans	57.9	39.4	178.1	-50.1	175.6	0	0	0	112.8	L515 I520 F540 D542 H543	L515-L545 HydrophobicContact CD2-CD1 4.17Å; I520-L545 HydrophobicContact CD1-CD1 4.09Å; I520-L545 HydrophobicContact CG1-CD1 3.9Å; F540-L545 HydrophobicContact CB-CD2 4.1Å; F540-L545 VanDerWaalsContact CD1-CA 3.46Å; F540-L545 HydrophobicContact CD1-CB 4.09Å; F540-L545 WeakPolarHBondContact CD1-O 3.44Å; F540-L545 HydrophobicContact CD2-CB 4.26Å; F540-L545 HydrophobicContact CD2-CD2 3.61Å; F540-L545 VanDerWaalsContact CE1-C 3.4Å; F540-L545 HydrophobicContact CE1-CB 4.12Å; F540-L545 WeakPolarHBondContact CE1-O 3.49Å; F540-L545 HydrophobicContact CE2-CB 4.3Å; F540-L545 HydrophobicContact CE2-CD2 4.19Å; F540-L545 HydrophobicContact CG-CB 4.16Å; F540-L545 HydrophobicContact CG-CD2 3.87Å; F540-L545 HydrophobicContact CZ-CB 4.23Å; D542-L545 PolarHBondContact O-N 3.08Å; D542-L545 PolarHBondContact OD2-N 2.8Å; H543-L545 PolarHBondContact O-N 2.8Å
546	T	87.6	Confident	91.8	Very high	84 Å²	84	49 Å²	49	52%	0.515	26%	0.259	S	S	.	.			trans	-99	-35	-178.1	63.8	0	0	0	0	113.4	D542 E544 P548	D542-T546 VanDerWaalsContact CG-OG1 3.31Å; D542-T546 PolarHBondContact OD1-N 2.84Å; D542-T546 WeakPolarHBondContact OD2-CB 3.42Å; D542-T546 PolarHBondContact OD2-N 3.46Å; D542-T546 PolarHBondContact OD2-OG1 2.79Å; E544-T546 VanDerWaalsContact C-N 3.31Å; E544-T546 HydrophobicContact CB-CG2 4.01Å; E544-T546 PolarHBondContact O-N 3.4Å; T546-P548 VanDerWaalsContact O-CD 3.25Å; T546-P548 WeakPolarHBondContact O-CD 3.33Å
547	N	89.2	Confident	91.4	Very high	92 Å²	92	48.5 Å²	48.5	49%	0.492	26%	0.262	S	S	.	.	S	Bend	trans	-113.7	90.7	-174.7	-59.3	-64.5	0	0	0	110.9	F540 Q541 D542	F540-N547 WeakPolarHBondContact CA-O 3.45Å; Q541-N547 PolarHBondContact N-O 3.21Å; D542-N547 WeakPolarHBondContact OD1-CB 3.31Å; D542-N547 PolarHBondContact OD1-N 3.29Å
548	P	92.2	Very high	91.2	Very high	56 Å²	56	48.3 Å²	48.3	36%	0.364	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.2	178.3	31.5	-36.2	0	0	0	110.4	T538 I539 F540 T546 L569	T538-P548 HydrophobicContact CG2-CB 3.82Å; I539-P548 CarbonylContact O-C 3.45Å; I539-P548 WeakPolarHBondContact O-CA 3.33Å; F540-P548 HydrophobicContact CD1-CB 3.95Å; F540-P548 HydrophobicContact CE1-CB 3.72Å; F540-P548 HydrophobicContact CE1-CG 4.25Å; F540-P548 HydrophobicContact CZ-CB 4.21Å; T546-P548 VanDerWaalsContact O-CD 3.25Å; T546-P548 WeakPolarHBondContact O-CD 3.33Å; P548-L569 HydrophobicContact CB-CD1 3.52Å; P548-L569 HydrophobicContact CG-CD1 3.6Å
549	T	92.7	Very high	91	Very high	50 Å²	50	53.9 Å²	53.9	31%	0.307	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-44.2	-178.8	50.2	0	0	0	0	111.8	I539 Q541 L569	I539-T549 PolarHBondContact O-N 3.32Å; I539-T549 PolarHBondContact O-OG1 2.94Å; I539-T549 VanDerWaalsContact O-OG1 3.08Å; Q541-T549 HydrophobicContact CB-CG2 3.67Å; T549-L569 PolarHBondContact O-N 3.12Å
550	E	94.2	Very high	90.9	Very high	59 Å²	59	53.1 Å²	53.1	28%	0.276	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141.9	-176.2	-174.6	-177.4	150.3	0	0	110.6	I539 S552 T567	I539-E550 HydrophobicContact CB-CB 4.38Å; I539-E550 HydrophobicContact CD1-CB 4.38Å; I539-E550 PolarHBondContact N-O 2.88Å; I539-E550 PolarHBondContact O-N 2.8Å; E550-S552 PolarHBondContact OE1-OG 3.48Å; E550-T567 WeakPolarHBondContact CA-O 3.46Å
551	V	95.8	Very high	90.8	Very high	24 Å²	24	55.3 Å²	55.3	15%	0.145	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.5	168.5	-177.2	0	0	0	0	108.2	R536 L537 T538 E553 S566 T567 L569	R536-V551 HydrophobicContact CG-CG1 3.89Å; L537-V551 CarbonylContact O-C 3.42Å; L537-V551 WeakPolarHBondContact O-CA 3.44Å; T538-V551 HydrophobicContact CG2-CG2 4.13Å; V551-E553 HydrophobicContact CG1-CG 4.1Å; V551-S566 CarbonylContact O-C 3.41Å; V551-S566 WeakPolarHBondContact O-CA 3.21Å; V551-T567 PolarHBondContact N-O 3.46Å; V551-T567 PolarHBondContact O-N 2.79Å; V551-L569 HydrophobicContact CG2-CD1 3.98Å; V551-L569 HydrophobicContact CG2-CD2 4.13Å; V551-L569 HydrophobicContact CG2-CG 4.22Å
552	S	95.4	Very high	91.1	Very high	29 Å²	29	48.2 Å²	48.2	20%	0.203	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.9	175.3	-92.9	0	0	0	0	109.9	L537 E550 S566	L537-S552 PolarHBondContact N-O 2.88Å; L537-S552 PolarHBondContact O-N 3.04Å; E550-S552 PolarHBondContact OE1-OG 3.48Å; S552-S566 WeakPolarHBondContact OG-CB 3.31Å
553	E	96.4	Very high	91.5	Very high	26 Å²	26	50.3 Å²	50.3	12%	0.121	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.3	-179.1	-66.5	-178.9	140.3	0	0	109.6	L533 L535 R536 V551 Y555 S564 R565	L533-E553 HydrophobicContact CD1-CB 3.7Å; L533-E553 HydrophobicContact CD1-CG 4.03Å; L535-E553 CarbonylContact O-C 3.54Å; L535-E553 WeakPolarHBondContact O-CA 3.5Å; R536-E553 HydrophobicContact CB-CG 4.4Å; R536-E553 HydrophobicContact CG-CG 4.07Å; R536-E553 IonicContact CZ-OE1 3.83Å; R536-E553 IonicContact NE-OE1 2.74Å; R536-E553 PolarHBondContact NE-OE1 2.89Å; R536-E553 IonicContact NH2-OE1 2.59Å; R536-E553 PolarHBondContact NH2-OE1 2.99Å; R536-E553 VanDerWaalsContact NH2-OE1 3.07Å; V551-E553 HydrophobicContact CG1-CG 4.1Å; E553-Y555 HydrophobicContact CB-CE2 3.68Å; E553-Y555 PolarHBondContact OE2-OH 2.9Å; E553-S564 CarbonylContact O-C 3.56Å; E553-S564 WeakPolarHBondContact O-CA 3.25Å; E553-S564 WeakPolarHBondContact O-CB 3.45Å; E553-R565 PolarHBondContact N-O 3.07Å; E553-R565 PolarHBondContact O-N 2.85Å
554	T	96	Very high	92.2	Very high	43 Å²	43	50.4 Å²	50.4	26%	0.264	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.1	173.8	-48.1	0	0	0	0	109.2	I534 L535 I563	I534-T554 HydrophobicContact CD1-CG2 4.23Å; I534-T554 HydrophobicContact CG1-CG2 4.33Å; I534-T554 VanDerWaalsContact CG1-O 3.24Å; I534-T554 WeakPolarHBondContact CG1-O 3.35Å; I534-T554 PolarHBondContact N-O 3.39Å; L535-T554 PolarHBondContact N-O 3.31Å; L535-T554 PolarHBondContact O-N 2.86Å; T554-I563 CarbonylContact C-O 3.56Å; T554-I563 WeakPolarHBondContact CA-O 3.18Å; T554-I563 WeakPolarHBondContact CG2-O 3.31Å
555	Y	95.2	Very high	92.8	Very high	11 Å²	11	46.5 Å²	46.5	4%	0.043	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	153.2	-177.1	-58.1	-92.6	0	0	0	109.8	G532 L533 E553 L562 I563 R565	G532-Y555 CarbonylContact O-C 3.59Å; G532-Y555 VanDerWaalsContact O-CA 3.31Å; G532-Y555 WeakPolarHBondContact O-CA 3.21Å; L533-Y555 HydrophobicContact CB-CD1 4.15Å; L533-Y555 HydrophobicContact CB-CE1 4.1Å; L533-Y555 HydrophobicContact CD1-CD1 4.29Å; L533-Y555 HydrophobicContact CD1-CE1 3.98Å; E553-Y555 HydrophobicContact CB-CE2 3.68Å; E553-Y555 PolarHBondContact OE2-OH 2.9Å; Y555-L562 WeakPolarHBondContact CB-O 3.31Å; Y555-L562 HydrophobicContact CD2-CD2 3.78Å; Y555-L562 HydrophobicContact CD2-CG 4.01Å; Y555-L562 HydrophobicContact CE2-CD2 3.86Å; Y555-L562 HydrophobicContact CE2-CG 4.47Å; Y555-L562 HydrophobicContact CG-CD2 4.22Å; Y555-I563 PolarHBondContact N-O 2.91Å; Y555-R565 HydrophobicContact CE2-CB 3.82Å; Y555-R565 PolarHBondContact OH-NH1 3.03Å
556	A	91.8	Very high	93.2	Very high	27 Å²	27	46 Å²	46	22%	0.223	25%	0.25	C	C	.	.			trans	-138.6	157.4	173.9	0	0	0	0	0	110.7	G532 I534 R558	G532-A556 PolarHBondContact O-N 2.98Å; I534-A556 HydrophobicContact CD1-CB 3.85Å; I534-A556 HydrophobicContact CG1-CB 4.19Å; I534-A556 HydrophobicContact CG2-CB 3.83Å; A556-R558 PolarHBondContact O-N 2.94Å; A556-R558 VanDerWaalsContact O-N 3.13Å
557	N	88.3	Confident	93.6	Very high	61 Å²	61	42.9 Å²	42.9	33%	0.326	23%	0.23	S	C	.	.	S	Bend	trans	57.2	28	174.3	-49.1	-37.8	0	0	0	113.4	Y527 L802 D803	Y527-N557 HydrophobicContact CD1-CB 4.4Å; Y527-N557 HydrophobicContact CE1-CB 3.63Å; Y527-N557 WeakPolarHBondContact CE2-ND2 3.45Å; Y527-N557 PolarHBondContact OH-ND2 2.82Å; N557-L802 CarbonylContact O-C 3.57Å; N557-L802 WeakPolarHBondContact O-CA 3.26Å; N557-L802 WeakPolarHBondContact O-CB 3.48Å; N557-D803 PolarHBondContact O-N 3.12Å
558	R	91.8	Very high	93.8	Very high	8 Å²	8	40.7 Å²	40.7	3%	0.03	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-86.9	136.8	173.7	-61.1	177	54.3	111.2	-6	110.4	D531 A556 D560 K561 V800 L802	D531-R558 WeakPolarHBondContact O-CD 3.49Å; D531-R558 PolarHBondContact O-NH1 2.92Å; A556-R558 PolarHBondContact O-N 2.94Å; A556-R558 VanDerWaalsContact O-N 3.13Å; R558-D560 VanDerWaalsContact C-N 3.26Å; R558-D560 WeakPolarHBondContact CB-OD1 3.42Å; R558-D560 IonicContact CZ-OD1 3.63Å; R558-D560 IonicContact CZ-OD2 3.67Å; R558-D560 IonicContact NE-OD1 3.54Å; R558-D560 PolarHBondContact NE-OD1 2.71Å; R558-D560 IonicContact NE-OD2 2.66Å; R558-D560 PolarHBondContact NE-OD2 3.05Å; R558-D560 IonicContact NH2-OD1 3.66Å; R558-D560 IonicContact NH2-OD2 2.94Å; R558-D560 PolarHBondContact NH2-OD2 3.49Å; R558-D560 PolarHBondContact O-N 2.91Å; R558-K561 PolarHBondContact O-N 3.06Å; R558-V800 HydrophobicContact CG-CG1 4.42Å; R558-V800 VanDerWaalsContact CZ-CG1 3.5Å; R558-V800 VanDerWaalsContact NH1-CG1 3.25Å; R558-L802 HydrophobicContact CG-CD2 3.92Å
559	K	90.3	Very high	93.7	Very high	137 Å²	137	40.8 Å²	40.8	60%	0.596	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-30.9	179.4	-171.4	-179.3	178	-174.8	0	112.4	K561 I801	K559-K561 PolarHBondContact O-N 3.38Å; K559-I801 HydrophobicContact CB-CB 4.19Å; K559-I801 HydrophobicContact CB-CG2 4.26Å; K559-I801 VanDerWaalsContact CB-O 3.23Å; K559-I801 WeakPolarHBondContact CB-O 3.25Å; K559-I801 HydrophobicContact CD-CB 4.3Å; K559-I801 HydrophobicContact CD-CG2 3.97Å; K559-I801 PolarHBondContact N-O 3.28Å
560	D	91.3	Very high	93.6	Very high	16 Å²	16	49.2 Å²	49.2	9%	0.086	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-2	174.3	71.2	-16.2	0	0	0	113.5	R558 L562 R793 E796	R558-D560 VanDerWaalsContact C-N 3.26Å; R558-D560 WeakPolarHBondContact CB-OD1 3.42Å; R558-D560 IonicContact CZ-OD1 3.63Å; R558-D560 IonicContact CZ-OD2 3.67Å; R558-D560 IonicContact NE-OD1 3.54Å; R558-D560 PolarHBondContact NE-OD1 2.71Å; R558-D560 IonicContact NE-OD2 2.66Å; R558-D560 PolarHBondContact NE-OD2 3.05Å; R558-D560 IonicContact NH2-OD1 3.66Å; R558-D560 IonicContact NH2-OD2 2.94Å; R558-D560 PolarHBondContact NH2-OD2 3.49Å; R558-D560 PolarHBondContact O-N 2.91Å; D560-L562 VanDerWaalsContact C-N 3.25Å; D560-L562 PolarHBondContact O-N 3.41Å; D560-L562 PolarHBondContact OD1-N 3.36Å; D560-R793 IonicContact OD2-NH1 3.74Å; D560-R793 PolarHBondContact OD2-NH1 3.35Å; D560-E796 HydrophobicContact CB-CB 4.26Å; D560-E796 HydrophobicContact CB-CG 3.91Å
561	K	92.6	Very high	93.4	Very high	68 Å²	68	49 Å²	49	30%	0.296	25%	0.247	S	C	.	.			trans	63.9	20.2	177.4	-57.3	-59.6	-179.8	-172.5	0	114.8	R558 K559 I563 F578 D579 R582 D803	R558-K561 PolarHBondContact O-N 3.06Å; K559-K561 PolarHBondContact O-N 3.38Å; K561-I563 PolarHBondContact O-N 3.4Å; K561-F578 CarbonylContact O-C 3.55Å; K561-F578 VanDerWaalsContact O-CA 3.24Å; K561-F578 WeakPolarHBondContact O-CA 3.05Å; K561-D579 HydrophobicContact CB-CB 3.92Å; K561-D579 HydrophobicContact CD-CB 4.47Å; K561-D579 PolarHBondContact O-N 2.94Å; K561-R582 HydrophobicContact CB-CG 4.14Å; K561-R582 HydrophobicContact CG-CG 4.39Å; K561-D803 IonicContact NZ-OD2 3.76Å
562	L	94.2	Very high	93.2	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	122.1	171.6	-178.8	71.1	0	0	0	110	Y555 D560 E576 F578	Y555-L562 WeakPolarHBondContact CB-O 3.31Å; Y555-L562 HydrophobicContact CD2-CD2 3.78Å; Y555-L562 HydrophobicContact CD2-CG 4.01Å; Y555-L562 HydrophobicContact CE2-CD2 3.86Å; Y555-L562 HydrophobicContact CE2-CG 4.47Å; Y555-L562 HydrophobicContact CG-CD2 4.22Å; D560-L562 VanDerWaalsContact C-N 3.25Å; D560-L562 PolarHBondContact O-N 3.41Å; D560-L562 PolarHBondContact OD1-N 3.36Å; L562-E576 HydrophobicContact CD1-CB 3.87Å; L562-E576 HydrophobicContact CD1-CG 4.33Å; L562-F578 HydrophobicContact CB-CD1 3.97Å; L562-F578 HydrophobicContact CB-CE1 3.87Å; L562-F578 HydrophobicContact CD1-CD1 3.98Å; L562-F578 HydrophobicContact CD1-CE1 3.52Å; L562-F578 HydrophobicContact CD1-CZ 3.79Å; L562-F578 HydrophobicContact CG-CE1 4.28Å
563	I	94.7	Very high	93.1	Very high	70 Å²	70	51.5 Å²	51.5	36%	0.359	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-47.6	178.5	-63.3	171.2	0	0	0	110.1	T554 Y555 K561 K577 D579	T554-I563 CarbonylContact C-O 3.56Å; T554-I563 WeakPolarHBondContact CA-O 3.18Å; T554-I563 WeakPolarHBondContact CG2-O 3.31Å; Y555-I563 PolarHBondContact N-O 2.91Å; K561-I563 PolarHBondContact O-N 3.4Å; I563-K577 PolarHBondContact N-O 3.01Å; I563-D579 HydrophobicContact CD1-CB 3.6Å; I563-D579 HydrophobicContact CG1-CB 3.86Å
564	S	95.7	Very high	93	Very high	30 Å²	30	50.7 Å²	50.7	21%	0.21	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	154	-177.5	63.7	0	0	0	0	113	E553 E576 K577	E553-S564 CarbonylContact O-C 3.56Å; E553-S564 WeakPolarHBondContact O-CA 3.25Å; E553-S564 WeakPolarHBondContact O-CB 3.45Å; S564-E576 WeakPolarHBondContact O-CA 3.32Å; S564-K577 PolarHBondContact N-O 3.05Å; S564-K577 PolarHBondContact O-N 3.32Å
565	R	96.1	Very high	93.1	Very high	41 Å²	41	49.4 Å²	49.4	16%	0.155	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.3	173.8	-179.6	-176.3	-78.1	156	-6.5	108	E553 Y555 I574 V575 E576 D797	E553-R565 PolarHBondContact N-O 3.07Å; E553-R565 PolarHBondContact O-N 2.85Å; Y555-R565 HydrophobicContact CE2-CB 3.82Å; Y555-R565 PolarHBondContact OH-NH1 3.03Å; R565-I574 HydrophobicContact CG-CG2 3.71Å; R565-V575 CarbonylContact C-O 3.53Å; R565-V575 VanDerWaalsContact CA-O 3.32Å; R565-V575 WeakPolarHBondContact CA-O 3.41Å; R565-E576 HydrophobicContact CG-CG 4.17Å; R565-E576 IonicContact CZ-OE1 2.98Å; R565-E576 VanDerWaalsContact CZ-OE1 3.29Å; R565-E576 IonicContact NE-OE1 2.88Å; R565-E576 PolarHBondContact NE-OE1 3.33Å; R565-E576 IonicContact NH2-OE1 3.62Å; R565-E576 PolarHBondContact NH2-OE1 2.86Å; R565-D797 IonicContact NH2-OD1 3.78Å; R565-D797 PolarHBondContact NH2-OD1 3.21Å; R565-D797 IonicContact NH2-OD2 2.85Å; R565-D797 PolarHBondContact NH2-OD2 3.13Å
566	S	95.5	Very high	93.1	Very high	31 Å²	31	48.9 Å²	48.9	22%	0.217	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.9	169	63.6	0	0	0	0	109.9	V551 S552 I574 V575	V551-S566 CarbonylContact O-C 3.41Å; V551-S566 WeakPolarHBondContact O-CA 3.21Å; S552-S566 WeakPolarHBondContact OG-CB 3.31Å; S566-I574 CarbonylContact O-C 3.49Å; S566-I574 VanDerWaalsContact O-CA 3.3Å; S566-I574 WeakPolarHBondContact O-CA 3.46Å; S566-V575 PolarHBondContact N-O 3.19Å; S566-V575 PolarHBondContact O-N 3.4Å
567	T	95.5	Very high	93.3	Very high	18 Å²	18	52.3 Å²	52.3	11%	0.11	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.9	-179.8	-56.7	0	0	0	0	109.5	E550 V551 L569 W573 I574	E550-T567 WeakPolarHBondContact CA-O 3.46Å; V551-T567 PolarHBondContact N-O 3.46Å; V551-T567 PolarHBondContact O-N 2.79Å; T567-L569 HydrophobicContact CG2-CD2 4.15Å; T567-L569 PolarHBondContact O-N 3.14Å; T567-W573 CarbonylContact C-O 3.51Å; T567-W573 WeakPolarHBondContact CA-O 3.12Å; T567-I574 HydrophobicContact CG2-CG1 4.04Å
568	V	93.6	Very high	93.6	Very high	46 Å²	46	49.9 Å²	49.9	28%	0.279	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	109.6	171.2	-179.1	0	0	0	0	108.2	R570 T571 N572 W573	V568-R570 VanDerWaalsContact C-N 3.35Å; V568-R570 PolarHBondContact O-N 3.36Å; V568-T571 WeakPolarHBondContact CG1-OG1 3.44Å; V568-T571 PolarHBondContact O-N 3.33Å; V568-N572 VanDerWaalsContact O-CA 3.22Å; V568-N572 WeakPolarHBondContact O-CA 3.35Å; V568-N572 PolarHBondContact O-N 3.32Å; V568-W573 HydrophobicContact CB-CB 4.34Å; V568-W573 PolarHBondContact N-O 2.72Å; V568-W573 PolarHBondContact O-N 3.47Å
569	L	90.6	Very high	93.6	Very high	59 Å²	59	53 Å²	53	31%	0.309	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.7	-170.1	-64.7	-179.9	0	0	0	113	P548 T549 V551 T567 T571	P548-L569 HydrophobicContact CB-CD1 3.52Å; P548-L569 HydrophobicContact CG-CD1 3.6Å; T549-L569 PolarHBondContact O-N 3.12Å; V551-L569 HydrophobicContact CG2-CD1 3.98Å; V551-L569 HydrophobicContact CG2-CD2 4.13Å; V551-L569 HydrophobicContact CG2-CG 4.22Å; T567-L569 HydrophobicContact CG2-CD2 4.15Å; T567-L569 PolarHBondContact O-N 3.14Å; L569-T571 VanDerWaalsContact C-N 3.34Å; L569-T571 PolarHBondContact O-N 3.48Å
570	R	90	Very high	93.6	Very high	227 Å²	227	52.4 Å²	52.4	86%	0.857	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-40.1	179.4	-174.1	-179.7	69.1	170.2	-0.6	112.7	V568	V568-R570 VanDerWaalsContact C-N 3.35Å; V568-R570 PolarHBondContact O-N 3.36Å
571	T	90.6	Very high	93.2	Very high	55 Å²	55	54.3 Å²	54.3	34%	0.337	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-11.6	-176.2	55.8	0	0	0	0	112.6	V568 L569 W573 Y593	V568-T571 WeakPolarHBondContact CG1-OG1 3.44Å; V568-T571 PolarHBondContact O-N 3.33Å; L569-T571 VanDerWaalsContact C-N 3.34Å; L569-T571 PolarHBondContact O-N 3.48Å; T571-W573 PolarHBondContact O-N 2.86Å; T571-W573 VanDerWaalsContact OG1-CB 3.3Å; T571-W573 WeakPolarHBondContact OG1-CB 3.27Å; T571-W573 PolarHBondContact OG1-N 3.27Å; T571-Y593 VanDerWaalsContact O-CD1 3.29Å; T571-Y593 WeakPolarHBondContact O-CD1 3.38Å
572	N	91.1	Very high	93	Very high	59 Å²	59	51.6 Å²	51.6	32%	0.316	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	30.6	-165.2	-65.1	-59.8	0	0	0	113	V568 K594	V568-N572 VanDerWaalsContact O-CA 3.22Å; V568-N572 WeakPolarHBondContact O-CA 3.35Å; V568-N572 PolarHBondContact O-N 3.32Å; N572-K594 HydrophobicContact CB-CB 4.02Å; N572-K594 PolarHBondContact O-N 3.4Å
573	W	94	Very high	92.1	Very high	46 Å²	46	60.2 Å²	60.2	17%	0.174	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.9	174.1	-177.8	-102.1	0	0	0	109.5	T567 V568 T571 G591 Y593 I602 Y604	T567-W573 CarbonylContact C-O 3.51Å; T567-W573 WeakPolarHBondContact CA-O 3.12Å; V568-W573 HydrophobicContact CB-CB 4.34Å; V568-W573 PolarHBondContact N-O 2.72Å; V568-W573 PolarHBondContact O-N 3.47Å; T571-W573 PolarHBondContact O-N 2.86Å; T571-W573 VanDerWaalsContact OG1-CB 3.3Å; T571-W573 WeakPolarHBondContact OG1-CB 3.27Å; T571-W573 PolarHBondContact OG1-N 3.27Å; W573-G591 WeakPolarHBondContact CH2-O 3.42Å; W573-G591 VanDerWaalsContact CZ2-C 3.47Å; W573-Y593 HydrophobicContact CB-CD1 4.34Å; W573-Y593 HydrophobicContact CB-CE1 4.13Å; W573-Y593 HydrophobicContact CD2-CE1 4.42Å; W573-Y593 AromaticContact CE3-CD1 3.73Å; W573-Y593 HydrophobicContact CE3-CD1 3.73Å; W573-Y593 AromaticContact CE3-CD2 3.64Å; W573-Y593 HydrophobicContact CE3-CD2 3.64Å; W573-Y593 AromaticContact CE3-CE1 3.61Å; W573-Y593 HydrophobicContact CE3-CE1 3.61Å; W573-Y593 AromaticContact CE3-CE2 3.5Å; W573-Y593 HydrophobicContact CE3-CE2 3.5Å; W573-Y593 AromaticContact CE3-CG 3.75Å; W573-Y593 HydrophobicContact CE3-CG 3.75Å; W573-Y593 AromaticContact CE3-CZ 3.48Å; W573-Y593 VanDerWaalsContact CE3-CZ 3.48Å; W573-Y593 AromaticContact CZ3-CD2 3.58Å; W573-Y593 HydrophobicContact CZ3-CD2 3.58Å; W573-Y593 HydrophobicContact CZ3-CE1 4.42Å; W573-Y593 AromaticContact CZ3-CE2 3.46Å; W573-Y593 HydrophobicContact CZ3-CE2 3.46Å; W573-Y593 VanDerWaalsContact CZ3-CE2 3.46Å; W573-Y593 HydrophobicContact CZ3-CG 4.11Å; W573-Y593 AromaticContact CZ3-CZ 3.91Å; W573-I602 HydrophobicContact CZ3-CG2 4.37Å; W573-Y604 HydrophobicContact CH2-CD1 4.16Å; W573-Y604 HydrophobicContact CH2-CE1 4.33Å; W573-Y604 AromaticContact CZ2-CD1 3.79Å; W573-Y604 HydrophobicContact CZ2-CD1 3.79Å; W573-Y604 AromaticContact CZ2-CE1 3.52Å; W573-Y604 HydrophobicContact CZ2-CE1 3.52Å
574	I	94.9	Very high	91.3	Very high	8 Å²	8	61.3 Å²	61.3	4%	0.041	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.6	180	-60.4	177.5	0	0	0	108.1	R565 S566 T567 E576 G591 Y592 K594	R565-I574 HydrophobicContact CG-CG2 3.71Å; S566-I574 CarbonylContact O-C 3.49Å; S566-I574 VanDerWaalsContact O-CA 3.3Å; S566-I574 WeakPolarHBondContact O-CA 3.46Å; T567-I574 HydrophobicContact CG2-CG1 4.04Å; I574-E576 HydrophobicContact CG2-CG 3.89Å; I574-G591 CarbonylContact O-C 3.59Å; I574-G591 VanDerWaalsContact O-CA 3.28Å; I574-G591 WeakPolarHBondContact O-CA 3.43Å; I574-Y592 HydrophobicContact CB-CE1 4.2Å; I574-Y592 HydrophobicContact CB-CE2 4.37Å; I574-Y592 HydrophobicContact CD1-CE2 4.04Å; I574-Y592 HydrophobicContact CG2-CE1 4Å; I574-Y592 PolarHBondContact N-O 2.78Å; I574-Y592 PolarHBondContact O-N 2.68Å; I574-K594 HydrophobicContact CD1-CB 3.67Å; I574-K594 HydrophobicContact CD1-CD 4.11Å; I574-K594 HydrophobicContact CD1-CG 3.8Å; I574-K594 HydrophobicContact CG1-CB 4.31Å
575	V	96.3	Very high	90.7	Very high	16 Å²	16	60 Å²	60	10%	0.097	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.4	166.7	-177.2	0	0	0	0	108.5	R565 S566 K577 E589	R565-V575 CarbonylContact C-O 3.53Å; R565-V575 VanDerWaalsContact CA-O 3.32Å; R565-V575 WeakPolarHBondContact CA-O 3.41Å; S566-V575 PolarHBondContact N-O 3.19Å; S566-V575 PolarHBondContact O-N 3.4Å; V575-K577 HydrophobicContact CG1-CG 4.49Å; V575-E589 HydrophobicContact CG1-CG 3.76Å
576	E	96.1	Very high	90.5	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.2	175.3	-62.4	-178.5	156.8	0	0	109.5	L562 S564 R565 I574 F578 E589 H590 Y592 R793	L562-E576 HydrophobicContact CD1-CB 3.87Å; L562-E576 HydrophobicContact CD1-CG 4.33Å; S564-E576 WeakPolarHBondContact O-CA 3.32Å; R565-E576 HydrophobicContact CG-CG 4.17Å; R565-E576 IonicContact CZ-OE1 2.98Å; R565-E576 VanDerWaalsContact CZ-OE1 3.29Å; R565-E576 IonicContact NE-OE1 2.88Å; R565-E576 PolarHBondContact NE-OE1 3.33Å; R565-E576 IonicContact NH2-OE1 3.62Å; R565-E576 PolarHBondContact NH2-OE1 2.86Å; I574-E576 HydrophobicContact CG2-CG 3.89Å; E576-F578 HydrophobicContact CB-CE2 3.76Å; E576-F578 HydrophobicContact CB-CZ 3.79Å; E576-E589 CarbonylContact O-C 3.5Å; E576-E589 VanDerWaalsContact O-CA 3.26Å; E576-E589 WeakPolarHBondContact O-CA 3.46Å; E576-H590 PolarHBondContact N-O 2.82Å; E576-H590 PolarHBondContact O-N 2.71Å; E576-H590 IonicContact OE2-ND1 3.7Å; E576-Y592 HydrophobicContact CG-CE1 4.12Å; E576-Y592 PolarHBondContact OE1-OH 2.93Å; E576-R793 VanDerWaalsContact CD-NH2 3.28Å; E576-R793 IonicContact OE1-NH2 3.68Å; E576-R793 PolarHBondContact OE1-NH2 3.34Å; E576-R793 IonicContact OE2-CZ 3.27Å; E576-R793 IonicContact OE2-NE 2.75Å; E576-R793 PolarHBondContact OE2-NE 3.49Å; E576-R793 IonicContact OE2-NH2 3.51Å; E576-R793 PolarHBondContact OE2-NH2 2.82Å
577	K	96.3	Very high	90.5	Very high	99 Å²	99	58.6 Å²	58.6	43%	0.43	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.5	175.9	-66.1	-177.3	179.3	-175.9	0	110.2	I563 S564 V575 E589	I563-K577 PolarHBondContact N-O 3.01Å; S564-K577 PolarHBondContact N-O 3.05Å; S564-K577 PolarHBondContact O-N 3.32Å; V575-K577 HydrophobicContact CG1-CG 4.49Å; K577-E589 VanDerWaalsContact CE-OE2 3.28Å; K577-E589 WeakPolarHBondContact CE-OE2 3.07Å; K577-E589 HydrophobicContact CG-CG 4.02Å
578	F	95.2	Very high	90.4	Very high	10 Å²	10	58.6 Å²	58.6	4%	0.044	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151	-176.9	-56	-88.9	0	0	0	111	K561 L562 E576 R582 L587 A588 H590	K561-F578 CarbonylContact O-C 3.55Å; K561-F578 VanDerWaalsContact O-CA 3.24Å; K561-F578 WeakPolarHBondContact O-CA 3.05Å; L562-F578 HydrophobicContact CB-CD1 3.97Å; L562-F578 HydrophobicContact CB-CE1 3.87Å; L562-F578 HydrophobicContact CD1-CD1 3.98Å; L562-F578 HydrophobicContact CD1-CE1 3.52Å; L562-F578 HydrophobicContact CD1-CZ 3.79Å; L562-F578 HydrophobicContact CG-CE1 4.28Å; E576-F578 HydrophobicContact CB-CE2 3.76Å; E576-F578 HydrophobicContact CB-CZ 3.79Å; F578-R582 VanDerWaalsContact CG-NH1 3.28Å; F578-L587 WeakPolarHBondContact CB-O 3.35Å; F578-L587 HydrophobicContact CD2-CD2 4.4Å; F578-L587 HydrophobicContact CD2-CG 4.25Å; F578-L587 HydrophobicContact CE2-CD2 3.96Å; F578-L587 HydrophobicContact CE2-CG 4.25Å; F578-A588 PolarHBondContact N-O 2.7Å; F578-H590 HydrophobicContact CE2-CB 4.31Å
579	D	91.7	Very high	90.6	Very high	75 Å²	75	58.3 Å²	58.3	40%	0.401	29%	0.294	S	S	.	.			trans	-74.8	159.7	170.4	-155.8	3.2	0	0	0	110.7	K561 I563	K561-D579 HydrophobicContact CB-CB 3.92Å; K561-D579 HydrophobicContact CD-CB 4.47Å; K561-D579 PolarHBondContact O-N 2.94Å; I563-D579 HydrophobicContact CD1-CB 3.6Å; I563-D579 HydrophobicContact CG1-CB 3.86Å
580	H	89.2	Confident	90.8	Very high	124 Å²	124	55.7 Å²	55.7	57%	0.574	28%	0.28	S	S	*	.	S	Bend	trans	-63.7	159.4	178.3	-60.6	-59.4	0	0	0	112.2	D608	H580-D608 IonicContact CE1-OD1 3.56Å; H580-D608 PolarHBondContact CE1-OD1 2.98Å; H580-D608 VanDerWaalsContact CE1-OD1 3.25Å; H580-D608 IonicContact CE1-OD2 3.84Å; H580-D608 IonicContact CG-OD2 2.75Å; H580-D608 IonicContact ND1-OD1 3.21Å; H580-D608 PolarHBondContact ND1-OD1 3.29Å; H580-D608 IonicContact ND1-OD2 3.55Å; H580-D608 PolarHBondContact ND1-OD2 2.99Å
581	G	84.2	Confident	91.1	Very high	55 Å²	55	44.9 Å²	44.9	57%	0.567	24%	0.239	S	C	*	.			trans	90.9	14.8	171.6	0	0	0	0	0	116	Q583	G581-Q583 PolarHBondContact O-N 3.15Å
582	R	88.5	Confident	91.2	Very high	12 Å²	12	43.9 Å²	43.9	5%	0.045	23%	0.229	C	C	.	.			trans	-63.7	113.2	167.4	-64.7	-171.9	68.7	170.9	8.8	110.1	K561 F578 T584 H586 L587 E796	K561-R582 HydrophobicContact CB-CG 4.14Å; K561-R582 HydrophobicContact CG-CG 4.39Å; F578-R582 VanDerWaalsContact CG-NH1 3.28Å; R582-T584 VanDerWaalsContact C-N 3.32Å; R582-T584 PolarHBondContact O-N 3.03Å; R582-H586 PolarHBondContact O-CE1 3.45Å; R582-H586 PolarHBondContact O-N 3.3Å; R582-H586 PolarHBondContact O-ND1 3.08Å; R582-L587 WeakPolarHBondContact CD-O 3.24Å; R582-E796 IonicContact CZ-OE1 3.47Å; R582-E796 IonicContact CZ-OE2 2.83Å; R582-E796 IonicContact NH2-OE1 3.07Å; R582-E796 PolarHBondContact NH2-OE1 3.38Å; R582-E796 IonicContact NH2-OE2 3.72Å; R582-E796 PolarHBondContact NH2-OE2 3.26Å
583	Q	73.4	Confident	91.2	Very high	184 Å²	184	44.2 Å²	44.2	86%	0.86	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.8	-168.8	-67.3	-178.6	-5.3	0	0	115	G581	G581-Q583 PolarHBondContact O-N 3.15Å
584	T	78.4	Confident	90.6	Very high	92 Å²	92	48 Å²	48	56%	0.564	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-56.3	-170.3	43.1	0	0	0	0	112.2	R582 E792	R582-T584 VanDerWaalsContact C-N 3.32Å; R582-T584 PolarHBondContact O-N 3.03Å; T584-E792 WeakPolarHBondContact CB-OE1 3.24Å; T584-E792 VanDerWaalsContact OG1-CD 3.26Å; T584-E792 PolarHBondContact OG1-OE1 2.9Å; T584-E792 PolarHBondContact OG1-OE2 3.2Å
585	S	84.5	Confident	89.7	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.021	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-20	-170.3	54.7	0	0	0	0	114.4	L587 F607 R612	S585-L587 PolarHBondContact O-N 3.11Å; S585-F607 VanDerWaalsContact O-CD1 3.29Å; S585-F607 WeakPolarHBondContact O-CD1 3.23Å; S585-R612 PolarHBondContact O-NH1 2.88Å
586	H	91.4	Very high	88.5	Confident	42 Å²	42	54.4 Å²	54.4	19%	0.194	28%	0.28	C	S	.	.			trans	53.5	29.2	-169.9	-53.3	-73.1	0	0	0	113.2	R582 A588 F607 D608 A611 R612	R582-H586 PolarHBondContact O-CE1 3.45Å; R582-H586 PolarHBondContact O-N 3.3Å; R582-H586 PolarHBondContact O-ND1 3.08Å; H586-A588 PolarHBondContact O-N 3.32Å; H586-F607 CarbonylContact O-C 3.56Å; H586-F607 VanDerWaalsContact O-CA 3.29Å; H586-F607 WeakPolarHBondContact O-CA 3.43Å; H586-D608 HydrophobicContact CB-CB 4.35Å; H586-D608 PolarHBondContact O-N 3.17Å; H586-A611 WeakPolarHBondContact ND1-CB 3.35Å; H586-R612 HydrophobicContact CB-CG 3.74Å
587	L	94.3	Very high	86.9	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	116	180	-178.3	70	0	0	0	110.2	F578 R582 S585 E589 H590 M605 F607 I789	F578-L587 WeakPolarHBondContact CB-O 3.35Å; F578-L587 HydrophobicContact CD2-CD2 4.4Å; F578-L587 HydrophobicContact CD2-CG 4.25Å; F578-L587 HydrophobicContact CE2-CD2 3.96Å; F578-L587 HydrophobicContact CE2-CG 4.25Å; R582-L587 WeakPolarHBondContact CD-O 3.24Å; S585-L587 PolarHBondContact O-N 3.11Å; L587-E589 WeakPolarHBondContact CD1-O 3.48Å; L587-H590 HydrophobicContact CD1-CB 4.37Å; L587-H590 HydrophobicContact CD2-CB 4.07Å; L587-H590 HydrophobicContact CG-CB 4.49Å; L587-M605 HydrophobicContact CD1-CB 3.7Å; L587-M605 HydrophobicContact CD1-CG 3.94Å; L587-F607 HydrophobicContact CB-CD1 4.35Å; L587-F607 HydrophobicContact CB-CE1 4.31Å; L587-F607 HydrophobicContact CD1-CD1 4.2Å; L587-F607 HydrophobicContact CD1-CE1 3.81Å; L587-F607 HydrophobicContact CD1-CZ 4.24Å; L587-I789 HydrophobicContact CD2-CG2 3.9Å
588	A	94.9	Very high	85.2	Confident	18 Å²	18	58.2 Å²	58.2	15%	0.149	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-37	-180	0	0	0	0	0	112.3	F578 H586 I606	F578-A588 PolarHBondContact N-O 2.7Å; H586-A588 PolarHBondContact O-N 3.32Å; A588-I606 PolarHBondContact N-O 2.91Å
589	E	96.5	Very high	83.6	Confident	40 Å²	40	57.9 Å²	57.9	19%	0.187	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	140.8	177.5	-166.5	175.1	120.8	0	0	111.3	V575 E576 K577 L587 Y604 M605 I606	V575-E589 HydrophobicContact CG1-CG 3.76Å; E576-E589 CarbonylContact O-C 3.5Å; E576-E589 VanDerWaalsContact O-CA 3.26Å; E576-E589 WeakPolarHBondContact O-CA 3.46Å; K577-E589 VanDerWaalsContact CE-OE2 3.28Å; K577-E589 WeakPolarHBondContact CE-OE2 3.07Å; K577-E589 HydrophobicContact CG-CG 4.02Å; L587-E589 WeakPolarHBondContact CD1-O 3.48Å; E589-Y604 HydrophobicContact CG-CE2 4Å; E589-Y604 WeakPolarHBondContact OE1-CE2 3.28Å; E589-Y604 VanDerWaalsContact OE1-CZ 3.23Å; E589-Y604 PolarHBondContact OE1-OH 2.91Å; E589-M605 CarbonylContact O-C 3.38Å; E589-M605 WeakPolarHBondContact O-CA 3.3Å; E589-I606 HydrophobicContact CB-CB 3.91Å; E589-I606 HydrophobicContact CB-CD1 4.09Å; E589-I606 HydrophobicContact CB-CG1 4.16Å; E589-I606 PolarHBondContact N-O 3.49Å; E589-I606 VanDerWaalsContact N-O 3.11Å; E589-I606 PolarHBondContact O-N 2.82Å
590	H	95.4	Very high	82.3	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.019	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	114.5	176.2	-179.5	-146.8	0	0	0	110.6	E576 F578 L587 Y592 R603 Y604	E576-H590 PolarHBondContact N-O 2.82Å; E576-H590 PolarHBondContact O-N 2.71Å; E576-H590 IonicContact OE2-ND1 3.7Å; F578-H590 HydrophobicContact CE2-CB 4.31Å; L587-H590 HydrophobicContact CD1-CB 4.37Å; L587-H590 HydrophobicContact CD2-CB 4.07Å; L587-H590 HydrophobicContact CG-CB 4.49Å; H590-Y592 AromaticContact CE1-CD1 3.32Å; H590-Y592 WeakPolarHBondContact CE1-CD1 3.49Å; H590-Y592 AromaticContact CE1-CE1 3.76Å; H590-Y592 AromaticContact CE1-CG 3.9Å; H590-Y592 AromaticContact CG-CD1 3.86Å; H590-Y592 AromaticContact ND1-CD1 3.41Å; H590-Y592 WeakPolarHBondContact ND1-CD1 3.5Å; H590-Y592 AromaticContact ND1-CE1 3.58Å; H590-Y592 AromaticContact NE2-CD1 3.71Å; H590-R603 PolarHBondContact CE1-NH1 3.1Å; H590-R603 PolarHBondContact NE2-NH1 3.03Å; H590-Y604 WeakPolarHBondContact CA-O 3.36Å; H590-Y604 PolarHBondContact CD2-O 3.38Å
591	G	95.6	Very high	81.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.5	175.2	0	0	0	0	0	111.2	W573 I574 R603 Y604	W573-G591 WeakPolarHBondContact CH2-O 3.42Å; W573-G591 VanDerWaalsContact CZ2-C 3.47Å; I574-G591 CarbonylContact O-C 3.59Å; I574-G591 VanDerWaalsContact O-CA 3.28Å; I574-G591 WeakPolarHBondContact O-CA 3.43Å; G591-R603 CarbonylContact O-C 3.55Å; G591-R603 WeakPolarHBondContact O-CA 3.22Å; G591-R603 VanDerWaalsContact O-CB 3.31Å; G591-R603 WeakPolarHBondContact O-CB 3.29Å; G591-Y604 PolarHBondContact N-O 2.98Å; G591-Y604 PolarHBondContact O-N 2.7Å
592	Y	94	Very high	82.2	Confident	34 Å²	34	51 Å²	51	13%	0.133	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	162.4	-179.5	65.2	-81.8	0	0	0	112.9	I574 E576 H590	I574-Y592 HydrophobicContact CB-CE1 4.2Å; I574-Y592 HydrophobicContact CB-CE2 4.37Å; I574-Y592 HydrophobicContact CD1-CE2 4.04Å; I574-Y592 HydrophobicContact CG2-CE1 4Å; I574-Y592 PolarHBondContact N-O 2.78Å; I574-Y592 PolarHBondContact O-N 2.68Å; E576-Y592 HydrophobicContact CG-CE1 4.12Å; E576-Y592 PolarHBondContact OE1-OH 2.93Å; H590-Y592 AromaticContact CE1-CD1 3.32Å; H590-Y592 WeakPolarHBondContact CE1-CD1 3.49Å; H590-Y592 AromaticContact CE1-CE1 3.76Å; H590-Y592 AromaticContact CE1-CG 3.9Å; H590-Y592 AromaticContact CG-CD1 3.86Å; H590-Y592 AromaticContact ND1-CD1 3.41Å; H590-Y592 WeakPolarHBondContact ND1-CD1 3.5Å; H590-Y592 AromaticContact ND1-CE1 3.58Å; H590-Y592 AromaticContact NE2-CD1 3.71Å
593	Y	90.1	Very high	82.4	Confident	66 Å²	66	51 Å²	51	26%	0.259	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.7	171.4	-70.4	-76.2	0	0	0	111.4	T571 W573 T595 Q596 I602	T571-Y593 VanDerWaalsContact O-CD1 3.29Å; T571-Y593 WeakPolarHBondContact O-CD1 3.38Å; W573-Y593 HydrophobicContact CB-CD1 4.34Å; W573-Y593 HydrophobicContact CB-CE1 4.13Å; W573-Y593 HydrophobicContact CD2-CE1 4.42Å; W573-Y593 AromaticContact CE3-CD1 3.73Å; W573-Y593 HydrophobicContact CE3-CD1 3.73Å; W573-Y593 AromaticContact CE3-CD2 3.64Å; W573-Y593 HydrophobicContact CE3-CD2 3.64Å; W573-Y593 AromaticContact CE3-CE1 3.61Å; W573-Y593 HydrophobicContact CE3-CE1 3.61Å; W573-Y593 AromaticContact CE3-CE2 3.5Å; W573-Y593 HydrophobicContact CE3-CE2 3.5Å; W573-Y593 AromaticContact CE3-CG 3.75Å; W573-Y593 HydrophobicContact CE3-CG 3.75Å; W573-Y593 AromaticContact CE3-CZ 3.48Å; W573-Y593 VanDerWaalsContact CE3-CZ 3.48Å; W573-Y593 AromaticContact CZ3-CD2 3.58Å; W573-Y593 HydrophobicContact CZ3-CD2 3.58Å; W573-Y593 HydrophobicContact CZ3-CE1 4.42Å; W573-Y593 AromaticContact CZ3-CE2 3.46Å; W573-Y593 HydrophobicContact CZ3-CE2 3.46Å; W573-Y593 VanDerWaalsContact CZ3-CE2 3.46Å; W573-Y593 HydrophobicContact CZ3-CG 4.11Å; W573-Y593 AromaticContact CZ3-CZ 3.91Å; Y593-T595 PolarHBondContact O-N 2.86Å; Y593-T595 VanDerWaalsContact O-N 3.17Å; Y593-Q596 PolarHBondContact O-N 2.97Å; Y593-I602 HydrophobicContact CD2-CB 4.06Å; Y593-I602 HydrophobicContact CD2-CG2 4.4Å; Y593-I602 HydrophobicContact CE2-CB 3.97Å; Y593-I602 HydrophobicContact CE2-CD1 4.33Å; Y593-I602 HydrophobicContact CE2-CG2 3.94Å
594	K	82.8	Confident	83.4	Confident	125 Å²	125	44.6 Å²	44.6	54%	0.543	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-37.8	-179.5	-166.3	177.9	-178.2	173.4	0	113.6	N572 I574 Q596	N572-K594 HydrophobicContact CB-CB 4.02Å; N572-K594 PolarHBondContact O-N 3.4Å; I574-K594 HydrophobicContact CD1-CB 3.67Å; I574-K594 HydrophobicContact CD1-CD 4.11Å; I574-K594 HydrophobicContact CD1-CG 3.8Å; I574-K594 HydrophobicContact CG1-CB 4.31Å; K594-Q596 VanDerWaalsContact C-N 3.32Å
595	T	74.6	Confident	84.3	Confident	106 Å²	106	40.4 Å²	40.4	65%	0.65	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.4	-177.4	52.3	0	0	0	0	113.4	Y593	Y593-T595 PolarHBondContact O-N 2.86Å; Y593-T595 VanDerWaalsContact O-N 3.17Å
596	Q	71	Confident	84.8	Confident	53 Å²	53	42.8 Å²	42.8	25%	0.248	21%	0.212	C	C	.	.			trans	-105	90.9	-176.1	-59.9	-175	6	0	0	109.8	Y593 K594 T601	Y593-Q596 PolarHBondContact O-N 2.97Å; K594-Q596 VanDerWaalsContact C-N 3.32Å; Q596-T601 HydrophobicContact CB-CG2 3.69Å
597	Q	62.5	Low	85	Confident	156 Å²	156	41 Å²	41	73%	0.729	20%	0.204	S	C	*	.			trans	-101.1	118.1	173.7	-63.5	-174.8	-1.9	0	0	109.5
598	G	61.6	Low	84.9	Confident	23 Å²	23	42.3 Å²	42.3	24%	0.237	21%	0.211	C	C	.	.	S	Bend	trans	152.8	165.8	-176.8	0	0	0	0	0	111.5	T601 R603	G598-T601 WeakPolarHBondContact O-CG2 3.1Å; G598-T601 PolarHBondContact O-OG1 2.89Å; G598-T601 VanDerWaalsContact O-OG1 3.06Å; G598-R603 PolarHBondContact O-NH2 3.17Å
599	V	60.4	Low	84.6	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.024	21%	0.213	C	C	.	.	S	Bend	trans	-74.8	-39.1	-178.4	173.3	0	0	0	0	111.7	T601 Q621 I783 I786 Y787 L790	V599-T601 PolarHBondContact O-N 3.22Å; V599-Q621 PolarHBondContact O-NE2 3.22Å; V599-Q621 PolarHBondContact O-OE1 2.72Å; V599-I783 HydrophobicContact CG1-CG2 4.42Å; V599-I786 HydrophobicContact CG1-CG2 4.22Å; V599-I786 HydrophobicContact CG2-CG2 4.39Å; V599-Y787 HydrophobicContact CB-CE1 4.14Å; V599-Y787 HydrophobicContact CB-CE2 3.97Å; V599-Y787 HydrophobicContact CG1-CE2 4Å; V599-Y787 HydrophobicContact CG2-CD1 3.43Å; V599-Y787 VanDerWaalsContact CG2-CD1 3.43Å; V599-Y787 HydrophobicContact CG2-CD2 3.73Å; V599-Y787 HydrophobicContact CG2-CE1 3.18Å; V599-Y787 HydrophobicContact CG2-CE2 3.49Å; V599-Y787 VanDerWaalsContact CG2-CE2 3.49Å; V599-Y787 HydrophobicContact CG2-CG 3.68Å; V599-L790 HydrophobicContact CG2-CD1 4.11Å
600	H	66.1	Low	84.2	Confident	38 Å²	38	48.3 Å²	48.3	18%	0.176	24%	0.24	C	C	.	.	S	Bend	trans	-86.1	48.6	-178.4	-60.9	-71.4	0	0	0	113.3	F623	H600-F623 WeakPolarHBondContact O-CD1 3.39Å
601	T	80.8	Confident	83.9	Confident	14 Å²	14	50.6 Å²	50.6	9%	0.086	26%	0.26	C	S	.	.	S	Bend	trans	-119	162.1	-179.3	64.9	0	0	0	0	110.3	Q596 G598 V599 R603	Q596-T601 HydrophobicContact CB-CG2 3.69Å; G598-T601 WeakPolarHBondContact O-CG2 3.1Å; G598-T601 PolarHBondContact O-OG1 2.89Å; G598-T601 VanDerWaalsContact O-OG1 3.06Å; V599-T601 PolarHBondContact O-N 3.22Å; T601-R603 PolarHBondContact O-N 3Å; T601-R603 PolarHBondContact OG1-NE 3.26Å; T601-R603 VanDerWaalsContact OG1-NE 3.15Å; T601-R603 PolarHBondContact OG1-NH2 3.18Å
602	I	88.8	Confident	83.5	Confident	58 Å²	58	52 Å²	52	30%	0.297	27%	0.265	S	S	.	.	S	Bend	trans	-69.3	117.8	176.4	-60.8	169.9	0	0	0	109.1	W573 Y593 Q621 F623	W573-I602 HydrophobicContact CZ3-CG2 4.37Å; Y593-I602 HydrophobicContact CD2-CB 4.06Å; Y593-I602 HydrophobicContact CD2-CG2 4.4Å; Y593-I602 HydrophobicContact CE2-CB 3.97Å; Y593-I602 HydrophobicContact CE2-CD1 4.33Å; Y593-I602 HydrophobicContact CE2-CG2 3.94Å; I602-Q621 VanDerWaalsContact CA-O 3.31Å; I602-Q621 WeakPolarHBondContact CA-O 3.45Å; I602-F623 HydrophobicContact CD1-CD2 4.35Å; I602-F623 HydrophobicContact CD1-CE2 3.49Å; I602-F623 VanDerWaalsContact CD1-CE2 3.49Å; I602-F623 HydrophobicContact CD1-CZ 3.84Å; I602-F623 HydrophobicContact CG1-CD2 4.2Å; I602-F623 HydrophobicContact CG1-CE2 3.67Å; I602-F623 HydrophobicContact CG1-CZ 3.87Å
603	R	93.3	Very high	83.2	Confident	12 Å²	12	59.1 Å²	59.1	5%	0.045	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	158.4	175.1	61.2	-177.3	71.9	-107.6	2.6	111.4	H590 G591 G598 T601 Q621	H590-R603 PolarHBondContact CE1-NH1 3.1Å; H590-R603 PolarHBondContact NE2-NH1 3.03Å; G591-R603 CarbonylContact O-C 3.55Å; G591-R603 WeakPolarHBondContact O-CA 3.22Å; G591-R603 VanDerWaalsContact O-CB 3.31Å; G591-R603 WeakPolarHBondContact O-CB 3.29Å; G598-R603 PolarHBondContact O-NH2 3.17Å; T601-R603 PolarHBondContact O-N 3Å; T601-R603 PolarHBondContact OG1-NE 3.26Å; T601-R603 VanDerWaalsContact OG1-NE 3.15Å; T601-R603 PolarHBondContact OG1-NH2 3.18Å; R603-Q621 HydrophobicContact CG-CB 3.88Å; R603-Q621 PolarHBondContact N-O 2.8Å; R603-Q621 PolarHBondContact O-N 2.88Å
604	Y	95.6	Very high	83.2	Confident	49 Å²	49	58.3 Å²	58.3	19%	0.192	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	151.2	163.2	72.4	-103	0	0	0	110.3	W573 E589 H590 G591 I606 R619	W573-Y604 HydrophobicContact CH2-CD1 4.16Å; W573-Y604 HydrophobicContact CH2-CE1 4.33Å; W573-Y604 AromaticContact CZ2-CD1 3.79Å; W573-Y604 HydrophobicContact CZ2-CD1 3.79Å; W573-Y604 AromaticContact CZ2-CE1 3.52Å; W573-Y604 HydrophobicContact CZ2-CE1 3.52Å; E589-Y604 HydrophobicContact CG-CE2 4Å; E589-Y604 WeakPolarHBondContact OE1-CE2 3.28Å; E589-Y604 VanDerWaalsContact OE1-CZ 3.23Å; E589-Y604 PolarHBondContact OE1-OH 2.91Å; H590-Y604 WeakPolarHBondContact CA-O 3.36Å; H590-Y604 PolarHBondContact CD2-O 3.38Å; G591-Y604 PolarHBondContact N-O 2.98Å; G591-Y604 PolarHBondContact O-N 2.7Å; Y604-I606 HydrophobicContact CD2-CD1 4.36Å; Y604-I606 HydrophobicContact CD2-CG1 4Å; Y604-I606 HydrophobicContact CE2-CD1 4.04Å; Y604-I606 HydrophobicContact CE2-CG1 4.1Å; Y604-R619 CarbonylContact C-O 3.57Å; Y604-R619 VanDerWaalsContact CA-O 3.27Å; Y604-R619 WeakPolarHBondContact CA-O 3.43Å
605	M	95.8	Very high	83.6	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.02	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.4	176	-65.5	175.7	178.5	0	0	108.4	L587 E589 F607 K618 R619 I786 I789 L790	L587-M605 HydrophobicContact CD1-CB 3.7Å; L587-M605 HydrophobicContact CD1-CG 3.94Å; E589-M605 CarbonylContact O-C 3.38Å; E589-M605 WeakPolarHBondContact O-CA 3.3Å; M605-F607 HydrophobicContact CB-CD2 4.49Å; M605-F607 HydrophobicContact CB-CE1 4.44Å; M605-F607 HydrophobicContact CB-CE2 3.62Å; M605-F607 HydrophobicContact CB-CZ 3.59Å; M605-F607 HydrophobicContact CG-CZ 4.39Å; M605-F607 HydrophobicContact SD-CZ 4.01Å; M605-K618 CarbonylContact O-C 3.2Å; M605-K618 WeakPolarHBondContact O-CA 3.27Å; M605-R619 PolarHBondContact N-O 3.01Å; M605-R619 PolarHBondContact O-N 2.83Å; M605-I786 HydrophobicContact CE-CG2 4.21Å; M605-I789 HydrophobicContact CE-CG2 4.02Å; M605-I789 HydrophobicContact SD-CD1 4.2Å; M605-I789 HydrophobicContact SD-CG2 4.27Å; M605-L790 HydrophobicContact CE-CD2 3.81Å; M605-L790 HydrophobicContact CE-CG 4.24Å
606	I	96.3	Very high	84.5	Confident	52 Å²	52	47.7 Å²	47.7	27%	0.267	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.7	171.9	-55.1	179.2	0	0	0	107.3	A588 E589 Y604 Y617 K618	A588-I606 PolarHBondContact N-O 2.91Å; E589-I606 HydrophobicContact CB-CB 3.91Å; E589-I606 HydrophobicContact CB-CD1 4.09Å; E589-I606 HydrophobicContact CB-CG1 4.16Å; E589-I606 PolarHBondContact N-O 3.49Å; E589-I606 VanDerWaalsContact N-O 3.11Å; E589-I606 PolarHBondContact O-N 2.82Å; Y604-I606 HydrophobicContact CD2-CD1 4.36Å; Y604-I606 HydrophobicContact CD2-CG1 4Å; Y604-I606 HydrophobicContact CE2-CD1 4.04Å; Y604-I606 HydrophobicContact CE2-CG1 4.1Å; I606-Y617 WeakPolarHBondContact CA-O 3.1Å; I606-K618 HydrophobicContact CG1-CG 4.41Å
607	F	95.2	Very high	85.6	Confident	5 Å²	5	48.2 Å²	48.2	2%	0.022	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.6	-175.8	-58.9	-83.7	0	0	0	111.3	S585 H586 L587 M605 H609 L616 Y617 R619 I789	S585-F607 VanDerWaalsContact O-CD1 3.29Å; S585-F607 WeakPolarHBondContact O-CD1 3.23Å; H586-F607 CarbonylContact O-C 3.56Å; H586-F607 VanDerWaalsContact O-CA 3.29Å; H586-F607 WeakPolarHBondContact O-CA 3.43Å; L587-F607 HydrophobicContact CB-CD1 4.35Å; L587-F607 HydrophobicContact CB-CE1 4.31Å; L587-F607 HydrophobicContact CD1-CD1 4.2Å; L587-F607 HydrophobicContact CD1-CE1 3.81Å; L587-F607 HydrophobicContact CD1-CZ 4.24Å; M605-F607 HydrophobicContact CB-CD2 4.49Å; M605-F607 HydrophobicContact CB-CE1 4.44Å; M605-F607 HydrophobicContact CB-CE2 3.62Å; M605-F607 HydrophobicContact CB-CZ 3.59Å; M605-F607 HydrophobicContact CG-CZ 4.39Å; M605-F607 HydrophobicContact SD-CZ 4.01Å; F607-H609 VanDerWaalsContact C-N 3.3Å; F607-H609 PolarHBondContact O-N 3.47Å; F607-L616 WeakPolarHBondContact CB-O 3.44Å; F607-L616 HydrophobicContact CD2-CD2 3.77Å; F607-L616 HydrophobicContact CD2-CG 3.92Å; F607-L616 HydrophobicContact CE2-CD2 3.63Å; F607-L616 HydrophobicContact CE2-CG 4.22Å; F607-L616 HydrophobicContact CZ-CD2 4.29Å; F607-Y617 PolarHBondContact N-O 2.79Å; F607-R619 HydrophobicContact CE2-CB 3.98Å; F607-I789 HydrophobicContact CE1-CD1 3.79Å; F607-I789 HydrophobicContact CZ-CD1 3.95Å
608	D	91.4	Very high	87.2	Confident	28 Å²	28	43.4 Å²	43.4	15%	0.15	23%	0.228	C	C	.	.			trans	-72.2	85.3	169.3	-70.2	-29.8	0	0	0	109.9	H580 H586 D610 A611 R612	H580-D608 IonicContact CE1-OD1 3.56Å; H580-D608 PolarHBondContact CE1-OD1 2.98Å; H580-D608 VanDerWaalsContact CE1-OD1 3.25Å; H580-D608 IonicContact CE1-OD2 3.84Å; H580-D608 IonicContact CG-OD2 2.75Å; H580-D608 IonicContact ND1-OD1 3.21Å; H580-D608 PolarHBondContact ND1-OD1 3.29Å; H580-D608 IonicContact ND1-OD2 3.55Å; H580-D608 PolarHBondContact ND1-OD2 2.99Å; H586-D608 HydrophobicContact CB-CB 4.35Å; H586-D608 PolarHBondContact O-N 3.17Å; D608-D610 PolarHBondContact O-N 2.77Å; D608-D610 VanDerWaalsContact O-N 3.17Å; D608-A611 HydrophobicContact CB-CB 4.34Å; D608-A611 PolarHBondContact O-N 2.72Å; D608-R612 PolarHBondContact O-N 3.25Å
609	H	89.8	Confident	88.8	Confident	42 Å²	42	42.6 Å²	42.6	19%	0.194	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-55.2	-33.6	-176	69.4	-54.3	0	0	0	114.1	F607 A611 R612	F607-H609 VanDerWaalsContact C-N 3.3Å; F607-H609 PolarHBondContact O-N 3.47Å; H609-A611 PolarHBondContact O-N 2.87Å; H609-R612 PolarHBondContact O-N 2.75Å; H609-R612 VanDerWaalsContact O-N 3.15Å
610	D	87.7	Confident	90.5	Very high	141 Å²	141	45.4 Å²	45.4	75%	0.754	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-63.6	-28.2	178.6	-63.1	-53.8	0	0	0	113.2	D608	D608-D610 PolarHBondContact O-N 2.77Å; D608-D610 VanDerWaalsContact O-N 3.17Å
611	A	87.8	Confident	91.7	Very high	52 Å²	52	44 Å²	44	43%	0.43	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-89.4	-14.8	178.9	0	0	0	0	0	112.6	H586 D608 H609	H586-A611 WeakPolarHBondContact ND1-CB 3.35Å; D608-A611 HydrophobicContact CB-CB 4.34Å; D608-A611 PolarHBondContact O-N 2.72Å; H609-A611 PolarHBondContact O-N 2.87Å
612	R	88.8	Confident	92	Very high	30 Å²	30	46 Å²	46	11%	0.113	24%	0.236	C	C	.	.			trans	-96.2	132.8	-176.2	-67.3	-172.5	61.5	104.5	-1.4	111.8	S585 H586 D608 H609 D614 G615 E785	S585-R612 PolarHBondContact O-NH1 2.88Å; H586-R612 HydrophobicContact CB-CG 3.74Å; D608-R612 PolarHBondContact O-N 3.25Å; H609-R612 PolarHBondContact O-N 2.75Å; H609-R612 VanDerWaalsContact O-N 3.15Å; R612-D614 WeakPolarHBondContact CB-OD1 3.26Å; R612-D614 IonicContact CZ-OD1 3.31Å; R612-D614 IonicContact CZ-OD2 3.79Å; R612-D614 IonicContact NE-OD1 2.72Å; R612-D614 PolarHBondContact NE-OD1 3.41Å; R612-D614 IonicContact NE-OD2 3.61Å; R612-D614 IonicContact NH2-OD1 3.64Å; R612-D614 IonicContact NH2-OD2 3.51Å; R612-D614 PolarHBondContact NH2-OD2 2.86Å; R612-D614 PolarHBondContact O-N 2.78Å; R612-G615 PolarHBondContact O-N 2.9Å; R612-E785 IonicContact CZ-OE1 3.64Å; R612-E785 VanDerWaalsContact CZ-OE1 3.27Å; R612-E785 IonicContact NH1-OE1 2.78Å; R612-E785 PolarHBondContact NH1-OE1 3.21Å; R612-E785 IonicContact NH2-OE1 3.51Å; R612-E785 PolarHBondContact NH2-OE1 2.68Å; R612-E785 IonicContact NH2-OE2 3.29Å
613	I	87.6	Confident	91.8	Very high	184 Å²	184	47.3 Å²	47.3	94%	0.944	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.5	179.2	-55.8	166.6	0	0	0	111.8
614	D	89.6	Confident	91.5	Very high	49 Å²	49	49.7 Å²	49.7	26%	0.262	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.1	-177.9	66.1	-0.1	0	0	0	114.3	R612 L616 F630 R633	R612-D614 WeakPolarHBondContact CB-OD1 3.26Å; R612-D614 IonicContact CZ-OD1 3.31Å; R612-D614 IonicContact CZ-OD2 3.79Å; R612-D614 IonicContact NE-OD1 2.72Å; R612-D614 PolarHBondContact NE-OD1 3.41Å; R612-D614 IonicContact NE-OD2 3.61Å; R612-D614 IonicContact NH2-OD1 3.64Å; R612-D614 IonicContact NH2-OD2 3.51Å; R612-D614 PolarHBondContact NH2-OD2 2.86Å; R612-D614 PolarHBondContact O-N 2.78Å; D614-L616 PolarHBondContact O-N 2.93Å; D614-L616 WeakPolarHBondContact OD1-CB 3.18Å; D614-L616 PolarHBondContact OD1-N 3.14Å; D614-L616 VanDerWaalsContact OD1-N 3.09Å; D614-F630 WeakPolarHBondContact O-CD1 3.32Å; D614-R633 VanDerWaalsContact O-CD 3.29Å; D614-R633 WeakPolarHBondContact O-CD 3.47Å; D614-R633 WeakPolarHBondContact O-CG 3.45Å; D614-R633 PolarHBondContact O-NH1 3.34Å
615	G	90.2	Very high	91.4	Very high	8 Å²	8	48.6 Å²	48.6	8%	0.082	25%	0.252	C	S	.	.			trans	66.2	14.2	-178.9	0	0	0	0	0	114.9	R612 Y617 F630 K631	R612-G615 PolarHBondContact O-N 2.9Å; G615-Y617 PolarHBondContact O-N 3.26Å; G615-F630 CarbonylContact O-C 3.55Å; G615-F630 VanDerWaalsContact O-CA 3.24Å; G615-F630 WeakPolarHBondContact O-CA 3.38Å; G615-K631 WeakPolarHBondContact CA-O 3.02Å; G615-K631 PolarHBondContact O-N 2.66Å
616	L	94.1	Very high	91.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	122.3	177.2	-179.1	71.1	0	0	0	109.5	F607 D614 E628 F630	F607-L616 WeakPolarHBondContact CB-O 3.44Å; F607-L616 HydrophobicContact CD2-CD2 3.77Å; F607-L616 HydrophobicContact CD2-CG 3.92Å; F607-L616 HydrophobicContact CE2-CD2 3.63Å; F607-L616 HydrophobicContact CE2-CG 4.22Å; F607-L616 HydrophobicContact CZ-CD2 4.29Å; D614-L616 PolarHBondContact O-N 2.93Å; D614-L616 WeakPolarHBondContact OD1-CB 3.18Å; D614-L616 PolarHBondContact OD1-N 3.14Å; D614-L616 VanDerWaalsContact OD1-N 3.09Å; L616-E628 HydrophobicContact CD1-CB 3.84Å; L616-E628 HydrophobicContact CD1-CG 4.28Å; L616-F630 HydrophobicContact CB-CD1 3.94Å; L616-F630 HydrophobicContact CB-CE1 3.88Å; L616-F630 HydrophobicContact CD1-CD1 3.99Å; L616-F630 HydrophobicContact CD1-CE1 3.61Å; L616-F630 HydrophobicContact CD1-CZ 3.96Å; L616-F630 HydrophobicContact CG-CE1 4.33Å
617	Y	93.7	Very high	91.3	Very high	64 Å²	64	47.2 Å²	47.2	25%	0.251	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-28.8	177.8	91	-99.4	0	0	0	113.1	I606 F607 G615 H629 K631	I606-Y617 WeakPolarHBondContact CA-O 3.1Å; F607-Y617 PolarHBondContact N-O 2.79Å; G615-Y617 PolarHBondContact O-N 3.26Å; Y617-H629 HydrophobicContact CD1-CB 3.74Å; Y617-H629 VanDerWaalsContact CD1-O 3.27Å; Y617-H629 WeakPolarHBondContact CD1-O 3.48Å; Y617-H629 HydrophobicContact CE1-CB 3.13Å; Y617-H629 HydrophobicContact CE2-CB 4.4Å; Y617-H629 VanDerWaalsContact CZ-CB 3.48Å; Y617-H629 PolarHBondContact N-O 3.05Å; Y617-K631 HydrophobicContact CD1-CD 3.9Å; Y617-K631 HydrophobicContact CD1-CG 3.64Å; Y617-K631 HydrophobicContact CE1-CD 4.46Å; Y617-K631 HydrophobicContact CE1-CG 4.15Å; Y617-K631 HydrophobicContact CG-CD 4.08Å; Y617-K631 HydrophobicContact CG-CG 4.29Å
618	K	96.4	Very high	91.3	Very high	54 Å²	54	47 Å²	47	24%	0.235	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	138.9	-179.4	-171	-177.8	-164.8	-168.6	0	111.3	M605 I606 E620 H629	M605-K618 CarbonylContact O-C 3.2Å; M605-K618 WeakPolarHBondContact O-CA 3.27Å; I606-K618 HydrophobicContact CG1-CG 4.41Å; K618-E620 HydrophobicContact CD-CG 4.33Å; K618-E620 WeakPolarHBondContact CE-OE1 3.41Å; K618-E620 HydrophobicContact CG-CG 4.36Å; K618-E620 IonicContact NZ-OE1 3.54Å; K618-E620 PolarHBondContact NZ-OE1 3.11Å; K618-H629 HydrophobicContact CB-CB 4.26Å; K618-H629 PolarHBondContact N-O 2.86Å; K618-H629 PolarHBondContact O-N 3.2Å
619	R	95.8	Very high	91.6	Very high	6 Å²	6	47.4 Å²	47.4	2%	0.023	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.7	170.4	-173.6	177.2	-73.5	147	-3	109.4	Y604 M605 F607 M626 I627 E628 S782 E785	Y604-R619 CarbonylContact C-O 3.57Å; Y604-R619 VanDerWaalsContact CA-O 3.27Å; Y604-R619 WeakPolarHBondContact CA-O 3.43Å; M605-R619 PolarHBondContact N-O 3.01Å; M605-R619 PolarHBondContact O-N 2.83Å; F607-R619 HydrophobicContact CE2-CB 3.98Å; R619-M626 HydrophobicContact CG-CG 4.23Å; R619-I627 CarbonylContact C-O 3.56Å; R619-I627 VanDerWaalsContact CA-O 3.26Å; R619-I627 WeakPolarHBondContact CA-O 3.31Å; R619-E628 HydrophobicContact CG-CG 4.17Å; R619-E628 IonicContact CZ-OE1 2.69Å; R619-E628 IonicContact NE-OE1 3.97Å; R619-E628 PolarHBondContact NE-OE1 3.29Å; R619-E628 IonicContact NH2-OE1 3.11Å; R619-E628 PolarHBondContact NH2-OE1 2.9Å; R619-S782 PolarHBondContact NH2-OG 2.95Å; R619-E785 IonicContact CZ-OE2 3.64Å; R619-E785 VanDerWaalsContact CZ-OE2 3.31Å; R619-E785 IonicContact NH1-OE2 2.67Å; R619-E785 PolarHBondContact NH1-OE2 3.35Å; R619-E785 IonicContact NH2-OE2 2.72Å; R619-E785 PolarHBondContact NH2-OE2 2.78Å
620	E	94.9	Very high	91.9	Very high	64 Å²	64	45.8 Å²	45.8	30%	0.299	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.7	175.4	-60	-179.6	175.1	0	0	108.9	K618 M626 I627	K618-E620 HydrophobicContact CD-CG 4.33Å; K618-E620 WeakPolarHBondContact CE-OE1 3.41Å; K618-E620 HydrophobicContact CG-CG 4.36Å; K618-E620 IonicContact NZ-OE1 3.54Å; K618-E620 PolarHBondContact NZ-OE1 3.11Å; E620-M626 CarbonylContact O-C 3.57Å; E620-M626 WeakPolarHBondContact O-CA 3.38Å; E620-I627 HydrophobicContact CB-CB 4.35Å; E620-I627 PolarHBondContact N-O 3.25Å; E620-I627 PolarHBondContact O-N 2.81Å
621	Q	91.1	Very high	92.1	Very high	7 Å²	7	43.6 Å²	43.6	3%	0.033	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.7	-178.4	-173.8	166.5	28.6	0	0	109.7	V599 I602 R603	V599-Q621 PolarHBondContact O-NE2 3.22Å; V599-Q621 PolarHBondContact O-OE1 2.72Å; I602-Q621 VanDerWaalsContact CA-O 3.31Å; I602-Q621 WeakPolarHBondContact CA-O 3.45Å; R603-Q621 HydrophobicContact CG-CB 3.88Å; R603-Q621 PolarHBondContact N-O 2.8Å; R603-Q621 PolarHBondContact O-N 2.88Å
622	T	88.7	Confident	92	Very high	56 Å²	56	48.2 Å²	48.2	34%	0.344	24%	0.239	S	C	.	.			trans	-116.2	-176	167.8	75.9	0	0	0	0	108.9	N624 T625	T622-N624 PolarHBondContact O-N 2.8Å; T622-N624 PolarHBondContact OG1-N 2.85Å; T622-T625 PolarHBondContact N-O 3.13Å; T622-T625 PolarHBondContact OG1-N 3.47Å; T622-T625 PolarHBondContact OG1-OG1 2.89Å
623	F	83.8	Confident	92.1	Very high	86 Å²	86	49.4 Å²	49.4	38%	0.377	24%	0.243	S	C	.	.	S	Bend	trans	-57.3	-36.4	177.3	-55.4	-74	0	0	0	113.1	H600 I602 L667	H600-F623 WeakPolarHBondContact O-CD1 3.39Å; I602-F623 HydrophobicContact CD1-CD2 4.35Å; I602-F623 HydrophobicContact CD1-CE2 3.49Å; I602-F623 VanDerWaalsContact CD1-CE2 3.49Å; I602-F623 HydrophobicContact CD1-CZ 3.84Å; I602-F623 HydrophobicContact CG1-CD2 4.2Å; I602-F623 HydrophobicContact CG1-CE2 3.67Å; I602-F623 HydrophobicContact CG1-CZ 3.87Å; F623-L667 HydrophobicContact CB-CD1 4.15Å
624	N	88	Confident	92.1	Very high	62 Å²	62	48.7 Å²	48.7	33%	0.332	24%	0.236	S	C	.	.	S	Bend	trans	-125.3	-0.6	-172.4	-62.6	-0.2	0	0	0	113.7	T622 F644	T622-N624 PolarHBondContact O-N 2.8Å; T622-N624 PolarHBondContact OG1-N 2.85Å; N624-F644 PolarHBondContact O-N 3.33Å
625	T	91.9	Very high	92.2	Very high	26 Å²	26	49.1 Å²	49.1	16%	0.16	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.6	-179.7	67.7	0	0	0	0	112.4	T622 V642 H643	T622-T625 PolarHBondContact N-O 3.13Å; T622-T625 PolarHBondContact OG1-N 3.47Å; T622-T625 PolarHBondContact OG1-OG1 2.89Å; T625-V642 CarbonylContact C-O 3.59Å; T625-V642 WeakPolarHBondContact CA-O 3.28Å; T625-H643 WeakPolarHBondContact CG2-ND1 3.24Å
626	M	93.8	Very high	92.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	123.4	168.7	178.4	-179.9	77	0	0	108.7	R619 E620 E641 V642 F644 V779 I783 I786	R619-M626 HydrophobicContact CG-CG 4.23Å; E620-M626 CarbonylContact O-C 3.57Å; E620-M626 WeakPolarHBondContact O-CA 3.38Å; M626-E641 CarbonylContact O-C 3.45Å; M626-E641 WeakPolarHBondContact O-CA 3.48Å; M626-V642 HydrophobicContact CB-CB 4.43Å; M626-V642 HydrophobicContact CE-CG2 4.03Å; M626-V642 PolarHBondContact N-O 2.78Å; M626-V642 PolarHBondContact O-N 2.83Å; M626-F644 HydrophobicContact CB-CE2 3.81Å; M626-F644 HydrophobicContact CB-CZ 4.26Å; M626-V779 HydrophobicContact CE-CG1 4.1Å; M626-I783 HydrophobicContact CE-CG1 4.49Å; M626-I783 HydrophobicContact SD-CG1 4.45Å; M626-I786 HydrophobicContact SD-CD1 3.67Å
627	I	96.5	Very high	92.2	Very high	27 Å²	27	52 Å²	52	14%	0.138	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.6	179.7	-58.5	172.6	0	0	0	108.1	R619 E620 H629 Y639 R640 E641	R619-I627 CarbonylContact C-O 3.56Å; R619-I627 VanDerWaalsContact CA-O 3.26Å; R619-I627 WeakPolarHBondContact CA-O 3.31Å; E620-I627 HydrophobicContact CB-CB 4.35Å; E620-I627 PolarHBondContact N-O 3.25Å; E620-I627 PolarHBondContact O-N 2.81Å; I627-H629 WeakPolarHBondContact CG2-NE2 3.37Å; I627-Y639 HydrophobicContact CG2-CD2 4.17Å; I627-Y639 HydrophobicContact CG2-CE2 3.34Å; I627-R640 CarbonylContact C-O 3.59Å; I627-R640 WeakPolarHBondContact CA-O 3.31Å; I627-E641 HydrophobicContact CG1-CB 4.32Å; I627-E641 HydrophobicContact CG1-CG 4.08Å
628	E	96.8	Very high	92.3	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.2	176.9	-60.1	-177.7	136	0	0	109.1	L616 R619 F630 Y639 R640 S782	L616-E628 HydrophobicContact CD1-CB 3.84Å; L616-E628 HydrophobicContact CD1-CG 4.28Å; R619-E628 HydrophobicContact CG-CG 4.17Å; R619-E628 IonicContact CZ-OE1 2.69Å; R619-E628 IonicContact NE-OE1 3.97Å; R619-E628 PolarHBondContact NE-OE1 3.29Å; R619-E628 IonicContact NH2-OE1 3.11Å; R619-E628 PolarHBondContact NH2-OE1 2.9Å; E628-F630 HydrophobicContact CB-CE2 3.63Å; E628-F630 HydrophobicContact CB-CZ 3.7Å; E628-F630 HydrophobicContact CG-CZ 4.47Å; E628-Y639 WeakPolarHBondContact O-CA 3.3Å; E628-R640 HydrophobicContact CB-CB 4.32Å; E628-R640 PolarHBondContact N-O 3.04Å; E628-R640 PolarHBondContact O-N 2.93Å; E628-R640 WeakPolarHBondContact OE2-CD 3.47Å; E628-R640 IonicContact OE2-CZ 2.98Å; E628-R640 IonicContact OE2-NH1 2.84Å; E628-R640 PolarHBondContact OE2-NH1 2.83Å; E628-S782 WeakPolarHBondContact OE1-CB 3.26Å; E628-S782 PolarHBondContact OE1-OG 3.05Å
629	H	96.9	Very high	92.3	Very high	36 Å²	36	52.3 Å²	52.3	17%	0.167	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.9	175	-57.3	-102.9	0	0	0	110.3	Y617 K618 I627 Y638 Y639	Y617-H629 HydrophobicContact CD1-CB 3.74Å; Y617-H629 VanDerWaalsContact CD1-O 3.27Å; Y617-H629 WeakPolarHBondContact CD1-O 3.48Å; Y617-H629 HydrophobicContact CE1-CB 3.13Å; Y617-H629 HydrophobicContact CE2-CB 4.4Å; Y617-H629 VanDerWaalsContact CZ-CB 3.48Å; Y617-H629 PolarHBondContact N-O 3.05Å; K618-H629 HydrophobicContact CB-CB 4.26Å; K618-H629 PolarHBondContact N-O 2.86Å; K618-H629 PolarHBondContact O-N 3.2Å; I627-H629 WeakPolarHBondContact CG2-NE2 3.37Å; H629-Y638 WeakPolarHBondContact CA-O 3.45Å; H629-Y639 AromaticContact CE1-CD2 3.67Å; H629-Y639 AromaticContact CE1-CE2 3.63Å; H629-Y639 AromaticContact ND1-CD2 3.65Å
630	F	95.7	Very high	92.3	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.039	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	152.9	-175.6	-54	-89.7	0	0	0	111.5	D614 G615 L616 E628 R633 L637 Y638 R640	D614-F630 WeakPolarHBondContact O-CD1 3.32Å; G615-F630 CarbonylContact O-C 3.55Å; G615-F630 VanDerWaalsContact O-CA 3.24Å; G615-F630 WeakPolarHBondContact O-CA 3.38Å; L616-F630 HydrophobicContact CB-CD1 3.94Å; L616-F630 HydrophobicContact CB-CE1 3.88Å; L616-F630 HydrophobicContact CD1-CD1 3.99Å; L616-F630 HydrophobicContact CD1-CE1 3.61Å; L616-F630 HydrophobicContact CD1-CZ 3.96Å; L616-F630 HydrophobicContact CG-CE1 4.33Å; E628-F630 HydrophobicContact CB-CE2 3.63Å; E628-F630 HydrophobicContact CB-CZ 3.7Å; E628-F630 HydrophobicContact CG-CZ 4.47Å; F630-R633 VanDerWaalsContact CB-CD 3.43Å; F630-R633 HydrophobicContact CB-CG 4.02Å; F630-L637 HydrophobicContact CD2-CD2 4.21Å; F630-L637 HydrophobicContact CD2-CG 4.17Å; F630-L637 HydrophobicContact CE2-CD2 4.04Å; F630-L637 HydrophobicContact CE2-CG 4.41Å; F630-Y638 PolarHBondContact N-O 2.88Å; F630-R640 HydrophobicContact CE2-CB 4.11Å
631	K	92	Very high	92.4	Very high	95 Å²	95	51.5 Å²	51.5	41%	0.413	25%	0.245	S	C	.	.			trans	-129.8	147.3	174.2	-77.2	176.6	-179.6	-174.6	0	109.7	G615 Y617 R633	G615-K631 WeakPolarHBondContact CA-O 3.02Å; G615-K631 PolarHBondContact O-N 2.66Å; Y617-K631 HydrophobicContact CD1-CD 3.9Å; Y617-K631 HydrophobicContact CD1-CG 3.64Å; Y617-K631 HydrophobicContact CE1-CD 4.46Å; Y617-K631 HydrophobicContact CE1-CG 4.15Å; Y617-K631 HydrophobicContact CG-CD 4.08Å; Y617-K631 HydrophobicContact CG-CG 4.29Å; K631-R633 PolarHBondContact O-N 3.06Å; K631-R633 VanDerWaalsContact O-N 3.08Å
632	D	85.8	Confident	92.6	Very high	149 Å²	149	51.1 Å²	51.1	80%	0.797	24%	0.243	S	C	*	.	S	Bend	trans	53.9	30.1	170.4	-53.6	-46	0	0	0	116.4
633	R	90	Very high	92.8	Very high	55 Å²	55	50.9 Å²	50.9	21%	0.208	24%	0.238	C	C	.	.			trans	-77.6	138.6	173.9	-65.7	-177.2	56.3	107.5	-5.2	111.7	D614 F630 K631 D635 H636 L637	D614-R633 VanDerWaalsContact O-CD 3.29Å; D614-R633 WeakPolarHBondContact O-CD 3.47Å; D614-R633 WeakPolarHBondContact O-CG 3.45Å; D614-R633 PolarHBondContact O-NH1 3.34Å; F630-R633 VanDerWaalsContact CB-CD 3.43Å; F630-R633 HydrophobicContact CB-CG 4.02Å; K631-R633 PolarHBondContact O-N 3.06Å; K631-R633 VanDerWaalsContact O-N 3.08Å; R633-D635 VanDerWaalsContact C-N 3.26Å; R633-D635 WeakPolarHBondContact CB-OD1 3.35Å; R633-D635 IonicContact CZ-OD1 2.81Å; R633-D635 IonicContact CZ-OD2 3.22Å; R633-D635 IonicContact NE-OD1 2.75Å; R633-D635 PolarHBondContact NE-OD1 3.28Å; R633-D635 IonicContact NE-OD2 3.25Å; R633-D635 PolarHBondContact NE-OD2 3.31Å; R633-D635 IonicContact NH2-OD1 4Å; R633-D635 IonicContact NH2-OD2 2.87Å; R633-D635 PolarHBondContact NH2-OD2 2.67Å; R633-D635 PolarHBondContact O-N 2.97Å; R633-H636 PolarHBondContact O-N 3.07Å; R633-L637 WeakPolarHBondContact CD-O 3.4Å
634	H	88.6	Confident	93.1	Very high	169 Å²	169	47.2 Å²	47.2	78%	0.782	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.7	177.3	63	-83.1	0	0	0	113.9	H636	H634-H636 VanDerWaalsContact C-N 3.28Å
635	D	90.8	Very high	92.7	Very high	57 Å²	57	45.2 Å²	45.2	31%	0.305	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	7.3	177.4	66.7	-6.5	0	0	0	112.9	R633 L637 F682	R633-D635 VanDerWaalsContact C-N 3.26Å; R633-D635 WeakPolarHBondContact CB-OD1 3.35Å; R633-D635 IonicContact CZ-OD1 2.81Å; R633-D635 IonicContact CZ-OD2 3.22Å; R633-D635 IonicContact NE-OD1 2.75Å; R633-D635 PolarHBondContact NE-OD1 3.28Å; R633-D635 IonicContact NE-OD2 3.25Å; R633-D635 PolarHBondContact NE-OD2 3.31Å; R633-D635 IonicContact NH2-OD1 4Å; R633-D635 IonicContact NH2-OD2 2.87Å; R633-D635 PolarHBondContact NH2-OD2 2.67Å; R633-D635 PolarHBondContact O-N 2.97Å; D635-L637 PolarHBondContact O-N 2.97Å; D635-L637 WeakPolarHBondContact OD1-CB 3.15Å; D635-L637 PolarHBondContact OD1-N 2.88Å; D635-F682 WeakPolarHBondContact O-CD1 3.48Å
636	H	91.6	Very high	91.4	Very high	64 Å²	64	46.5 Å²	46.5	30%	0.296	23%	0.226	S	C	.	.			trans	63	2.7	179.8	-66	-79	0	0	0	115.9	R633 H634 Y638 F682 T683	R633-H636 PolarHBondContact O-N 3.07Å; H634-H636 VanDerWaalsContact C-N 3.28Å; H636-Y638 PolarHBondContact O-N 2.8Å; H636-F682 CarbonylContact O-C 3.28Å; H636-F682 VanDerWaalsContact O-CA 3.31Å; H636-F682 WeakPolarHBondContact O-CA 3.32Å; H636-T683 WeakPolarHBondContact CB-O 3.35Å; H636-T683 VanDerWaalsContact CB-OG1 3.25Å; H636-T683 WeakPolarHBondContact CB-OG1 3Å; H636-T683 PolarHBondContact ND1-OG1 3.07Å; H636-T683 VanDerWaalsContact ND1-OG1 3.11Å; H636-T683 PolarHBondContact O-N 3.42Å; H636-T683 PolarHBondContact O-OG1 2.96Å; H636-T683 VanDerWaalsContact O-OG1 3.12Å
637	L	93.8	Very high	89.5	Confident	5 Å²	5	51.9 Å²	51.9	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	124.3	174.9	-179	70	0	0	0	109.2	F630 R633 D635 Y639 E680 F682	F630-L637 HydrophobicContact CD2-CD2 4.21Å; F630-L637 HydrophobicContact CD2-CG 4.17Å; F630-L637 HydrophobicContact CE2-CD2 4.04Å; F630-L637 HydrophobicContact CE2-CG 4.41Å; R633-L637 WeakPolarHBondContact CD-O 3.4Å; D635-L637 PolarHBondContact O-N 2.97Å; D635-L637 WeakPolarHBondContact OD1-CB 3.15Å; D635-L637 PolarHBondContact OD1-N 2.88Å; L637-Y639 WeakPolarHBondContact CD1-O 3.43Å; L637-E680 HydrophobicContact CD1-CB 3.86Å; L637-E680 HydrophobicContact CD1-CG 4.26Å; L637-F682 HydrophobicContact CB-CD1 3.98Å; L637-F682 HydrophobicContact CB-CE1 3.79Å; L637-F682 HydrophobicContact CD1-CD1 4.21Å; L637-F682 HydrophobicContact CD1-CE1 3.71Å; L637-F682 HydrophobicContact CD1-CE2 4.41Å; L637-F682 HydrophobicContact CD1-CZ 3.79Å; L637-F682 HydrophobicContact CG-CE1 4.32Å
638	Y	94.5	Very high	87	Confident	96 Å²	96	56.1 Å²	56.1	38%	0.376	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-14.3	177.7	76.4	-85.9	0	0	0	113.2	H629 F630 H636 R681 F682 T683	H629-Y638 WeakPolarHBondContact CA-O 3.45Å; F630-Y638 PolarHBondContact N-O 2.88Å; H636-Y638 PolarHBondContact O-N 2.8Å; Y638-R681 HydrophobicContact CD1-CB 4.34Å; Y638-R681 WeakPolarHBondContact CD1-O 3.48Å; Y638-R681 HydrophobicContact CE1-CB 3.55Å; Y638-R681 PolarHBondContact N-O 2.8Å; Y638-F682 WeakPolarHBondContact CE1-O 3.13Å; Y638-T683 HydrophobicContact CD1-CG2 3.65Å; Y638-T683 HydrophobicContact CE1-CG2 4.39Å; Y638-T683 HydrophobicContact CG-CG2 4.06Å
639	Y	96.8	Very high	84.4	Confident	28 Å²	28	64.3 Å²	64.3	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	134.9	-174.8	-179.6	-91.4	0	0	0	111.3	I627 E628 H629 L637 E641 E680 R681	I627-Y639 HydrophobicContact CG2-CD2 4.17Å; I627-Y639 HydrophobicContact CG2-CE2 3.34Å; E628-Y639 WeakPolarHBondContact O-CA 3.3Å; H629-Y639 AromaticContact CE1-CD2 3.67Å; H629-Y639 AromaticContact CE1-CE2 3.63Å; H629-Y639 AromaticContact ND1-CD2 3.65Å; L637-Y639 WeakPolarHBondContact CD1-O 3.43Å; Y639-E641 HydrophobicContact CE1-CB 3.66Å; Y639-E641 PolarHBondContact OH-OE2 2.91Å; Y639-E680 WeakPolarHBondContact O-CA 3.41Å; Y639-R681 HydrophobicContact CD1-CB 4.47Å; Y639-R681 HydrophobicContact CD1-CG 4.12Å; Y639-R681 PolarHBondContact N-O 2.9Å; Y639-R681 PolarHBondContact O-N 2.96Å
640	R	96.5	Very high	81.7	Confident	14 Å²	14	70.9 Å²	70.9	5%	0.053	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.2	169.5	-178.6	-174.5	-67.7	143	-7.3	110	I627 E628 F630 V642 I678 V679 E680	I627-R640 CarbonylContact C-O 3.59Å; I627-R640 WeakPolarHBondContact CA-O 3.31Å; E628-R640 HydrophobicContact CB-CB 4.32Å; E628-R640 PolarHBondContact N-O 3.04Å; E628-R640 PolarHBondContact O-N 2.93Å; E628-R640 WeakPolarHBondContact OE2-CD 3.47Å; E628-R640 IonicContact OE2-CZ 2.98Å; E628-R640 IonicContact OE2-NH1 2.84Å; E628-R640 PolarHBondContact OE2-NH1 2.83Å; F630-R640 HydrophobicContact CE2-CB 4.11Å; R640-V642 HydrophobicContact CG-CG2 4.26Å; R640-I678 HydrophobicContact CG-CG2 4.19Å; R640-V679 CarbonylContact C-O 3.54Å; R640-V679 VanDerWaalsContact CA-O 3.23Å; R640-V679 WeakPolarHBondContact CA-O 2.97Å; R640-E680 HydrophobicContact CB-CG 4.47Å; R640-E680 HydrophobicContact CG-CG 4.06Å; R640-E680 IonicContact CZ-OE1 2.99Å; R640-E680 IonicContact NE-OE1 3.52Å; R640-E680 PolarHBondContact NE-OE1 2.81Å; R640-E680 IonicContact NH2-OE1 3.69Å; R640-E680 PolarHBondContact NH2-OE1 2.78Å
641	E	96.9	Very high	79	Confident	39 Å²	39	80.7 Å²	80.7	18%	0.182	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.6	173.4	173.1	179.2	-156.2	0	0	109.6	M626 I627 Y639 H643 I678 V679	M626-E641 CarbonylContact O-C 3.45Å; M626-E641 WeakPolarHBondContact O-CA 3.48Å; I627-E641 HydrophobicContact CG1-CB 4.32Å; I627-E641 HydrophobicContact CG1-CG 4.08Å; Y639-E641 HydrophobicContact CE1-CB 3.66Å; Y639-E641 PolarHBondContact OH-OE2 2.91Å; E641-H643 IonicContact OE1-CE1 2.95Å; E641-H643 PolarHBondContact OE1-CE1 2.61Å; E641-H643 IonicContact OE1-NE2 2.88Å; E641-H643 PolarHBondContact OE1-NE2 2.66Å; E641-H643 IonicContact OE2-NE2 2.73Å; E641-I678 CarbonylContact O-C 3.57Å; E641-I678 WeakPolarHBondContact O-CA 3.46Å; E641-V679 HydrophobicContact CB-CB 4.27Å; E641-V679 PolarHBondContact N-O 2.88Å; E641-V679 PolarHBondContact O-N 2.83Å
642	V	94.8	Very high	77	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130	-178.9	-175.5	0	0	0	0	108.8	T625 M626 R640 F644 I675 K677 I678 V779	T625-V642 CarbonylContact C-O 3.59Å; T625-V642 WeakPolarHBondContact CA-O 3.28Å; M626-V642 HydrophobicContact CB-CB 4.43Å; M626-V642 HydrophobicContact CE-CG2 4.03Å; M626-V642 PolarHBondContact N-O 2.78Å; M626-V642 PolarHBondContact O-N 2.83Å; R640-V642 HydrophobicContact CG-CG2 4.26Å; V642-F644 HydrophobicContact CB-CZ 4.31Å; V642-F644 HydrophobicContact CG1-CD1 4.32Å; V642-F644 HydrophobicContact CG1-CE1 3.74Å; V642-F644 HydrophobicContact CG1-CE2 4.22Å; V642-F644 HydrophobicContact CG1-CZ 3.69Å; V642-I675 HydrophobicContact CG1-CG1 4.47Å; V642-I675 HydrophobicContact CG1-CG2 3.98Å; V642-K677 WeakPolarHBondContact CA-O 3.36Å; V642-I678 HydrophobicContact CG1-CG1 4.5Å; V642-I678 HydrophobicContact CG2-CG2 4.49Å; V642-V779 HydrophobicContact CG1-CG1 3.88Å; V642-V779 HydrophobicContact CG2-CB 4.5Å; V642-V779 HydrophobicContact CG2-CG1 4.04Å; V642-V779 HydrophobicContact CG2-CG2 3.57Å
643	H	93.4	Very high	75.1	Confident	51 Å²	51	78 Å²	78	24%	0.236	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.6	171.6	-58	-90.3	0	0	0	110.3	T625 E641 D676 K677	T625-H643 WeakPolarHBondContact CG2-ND1 3.24Å; E641-H643 IonicContact OE1-CE1 2.95Å; E641-H643 PolarHBondContact OE1-CE1 2.61Å; E641-H643 IonicContact OE1-NE2 2.88Å; E641-H643 PolarHBondContact OE1-NE2 2.66Å; E641-H643 IonicContact OE2-NE2 2.73Å; H643-D676 PolarHBondContact O-N 3.34Å; H643-K677 HydrophobicContact CB-CB 4.25Å; H643-K677 PolarHBondContact N-O 3.5Å; H643-K677 PolarHBondContact O-N 2.53Å
644	F	89.3	Confident	72.6	Confident	9 Å²	9	79.5 Å²	79.5	4%	0.039	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.2	177.8	-58.6	-71.7	0	0	0	111.1	N624 M626 V642 A646 I675 V779 I783	N624-F644 PolarHBondContact O-N 3.33Å; M626-F644 HydrophobicContact CB-CE2 3.81Å; M626-F644 HydrophobicContact CB-CZ 4.26Å; V642-F644 HydrophobicContact CB-CZ 4.31Å; V642-F644 HydrophobicContact CG1-CD1 4.32Å; V642-F644 HydrophobicContact CG1-CE1 3.74Å; V642-F644 HydrophobicContact CG1-CE2 4.22Å; V642-F644 HydrophobicContact CG1-CZ 3.69Å; F644-A646 PolarHBondContact O-N 2.91Å; F644-I675 HydrophobicContact CD1-CG1 4.26Å; F644-I675 HydrophobicContact CE1-CG1 4.02Å; F644-V779 HydrophobicContact CE1-CG1 4.46Å; F644-I783 HydrophobicContact CE1-CD1 3.64Å; F644-I783 HydrophobicContact CZ-CD1 3.74Å; F644-I783 HydrophobicContact CZ-CG1 4.25Å
645	S	81.2	Confident	70.7	Confident	20 Å²	20	76.9 Å²	76.9	14%	0.14	41%	0.41	C	S	.	.			trans	-64.5	129.2	173.2	45.3	0	0	0	0	112.2	K647 N674 D676	S645-K647 PolarHBondContact O-N 3.44Å; S645-N674 PolarHBondContact N-O 3.01Å; S645-N674 WeakPolarHBondContact OG-CB 3.37Å; S645-N674 PolarHBondContact OG-N 3.17Å; S645-N674 PolarHBondContact OG-O 3.35Å; S645-D676 WeakPolarHBondContact CA-OD2 3.4Å; S645-D676 VanDerWaalsContact CB-OD1 3.31Å; S645-D676 WeakPolarHBondContact CB-OD1 3.25Å; S645-D676 WeakPolarHBondContact CB-OD2 3.45Å; S645-D676 PolarHBondContact N-OD2 2.85Å
646	A	64	Low	68.4	Low	52 Å²	52	80.4 Å²	80.4	43%	0.43	43%	0.434	S	S	.	.			trans	-75	111.1	163.1	0	0	0	0	0	108.5	F644 I648	F644-A646 PolarHBondContact O-N 2.91Å; A646-I648 VanDerWaalsContact C-N 3.34Å; A646-I648 PolarHBondContact O-N 2.94Å
647	K	54.1	Low	66.1	Low	113 Å²	113	85.5 Å²	85.5	49%	0.491	46%	0.458	S	S	.	.			trans	-65.3	95.6	170.5	-78.5	-173.5	-176.1	174.7	0	109.7	S645 K649 S671	S645-K647 PolarHBondContact O-N 3.44Å; K647-K649 PolarHBondContact O-N 2.78Å; K647-S671 PolarHBondContact NZ-OG 3.39Å
648	I	43.2	Very low	63.5	Low	116 Å²	116	91.6 Å²	91.6	60%	0.595	49%	0.491	S	S	*	.			trans	-64.9	116.5	160	-57.8	168.5	0	0	0	106	A646 K650	A646-I648 VanDerWaalsContact C-N 3.34Å; A646-I648 PolarHBondContact O-N 2.94Å; I648-K650 HydrophobicContact CG2-CG 4.21Å; I648-K650 PolarHBondContact O-N 3.26Å
649	K	42.2	Very low	61.4	Low	173 Å²	173	96 Å²	96	75%	0.752	51%	0.512	S	S	*	.			trans	-60.7	86.7	169	-76.8	-176.7	179.2	175.8	0	109.2	K647 F651	K647-K649 PolarHBondContact O-N 2.78Å; K649-F651 PolarHBondContact O-N 2.85Å
650	K	41.5	Very low	59.3	Low	175 Å²	175	101.8 Å²	101.8	76%	0.761	55%	0.545	S	S	*	.			trans	-80.2	103.3	165.1	-67.9	-179.9	-178.8	175.2	0	105.9	I648	I648-K650 HydrophobicContact CG2-CG 4.21Å; I648-K650 PolarHBondContact O-N 3.26Å
651	F	37.1	Very low	56.8	Low	215 Å²	215	106.3 Å²	106.3	94%	0.943	57%	0.57	S	S	*	*	S	Bend	trans	92.1	105.2	-174.9	-75.1	-95.1	0	0	0	116.9	K649	K649-F651 PolarHBondContact O-N 2.85Å
652	G	51.7	Low	54.2	Low	54 Å²	54	109.9 Å²	109.9	56%	0.557	60%	0.596	S	S	*	*	S	Bend	trans	164.9	151.7	173.7	0	0	0	0	0	108.3	A654	G652-A654 PolarHBondContact O-N 3.24Å
653	P	44.5	Very low	51.7	Low	132 Å²	132	116.7 Å²	116.7	86%	0.857	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-58.1	133.1	178.6	24.3	-30.5	0	0	0	109.1
654	A	38.3	Very low	49	Very low	88 Å²	88	118 Å²	118	73%	0.727	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-51.5	128.4	-174.8	0	0	0	0	0	110.4	G652 T656	G652-A654 PolarHBondContact O-N 3.24Å; A654-T656 PolarHBondContact O-N 3.39Å
655	P	47.7	Very low	46.6	Very low	114 Å²	114	125.6 Å²	125.6	74%	0.74	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-60	129.6	168.5	25.5	-30.1	0	0	0	107.3	Q657	P655-Q657 PolarHBondContact O-N 3.12Å
656	T	43.3	Very low	44.4	Very low	131 Å²	131	129.3 Å²	129.3	80%	0.804	72%	0.717	S	S	*	*			trans	-51.4	112.8	175.2	38.7	0	0	0	0	108.8	A654 N658	A654-T656 PolarHBondContact O-N 3.39Å; T656-N658 VanDerWaalsContact C-N 3.33Å; T656-N658 PolarHBondContact O-N 2.96Å
657	Q	43.1	Very low	43.2	Very low	171 Å²	171	129.9 Å²	129.9	80%	0.799	71%	0.713	S	S	*	*			trans	-62.3	96	170.5	-71.4	-178.3	-10.5	0	0	108	P655 K659	P655-Q657 PolarHBondContact O-N 3.12Å; Q657-K659 PolarHBondContact O-N 3.48Å
658	N	39.8	Very low	42.4	Very low	133 Å²	133	128.2 Å²	128.2	71%	0.711	72%	0.715	S	S	*	*			trans	-67.2	111.6	154.7	-87.4	-6.9	0	0	0	106	T656 D660	T656-N658 VanDerWaalsContact C-N 3.33Å; T656-N658 PolarHBondContact O-N 2.96Å; N658-D660 PolarHBondContact O-N 3.39Å
659	K	50.1	Low	42.3	Very low	189 Å²	189	127.6 Å²	127.6	82%	0.822	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	1.3	-178.1	-80.2	-177.2	173.5	178.5	0	114.1	Q657	Q657-K659 PolarHBondContact O-N 3.48Å
660	D	52.3	Low	42.2	Very low	149 Å²	149	125.5 Å²	125.5	80%	0.797	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	0.7	-169.7	-57	-35.5	0	0	0	113.8	N658	N658-D660 PolarHBondContact O-N 3.39Å
661	N	44.2	Very low	42.2	Very low	108 Å²	108	119.4 Å²	119.4	58%	0.578	70%	0.699	S	S	*	*			trans	-154.4	97.7	173.7	-144.7	-6.6	0	0	0	113.4	D663	N661-D663 PolarHBondContact O-N 3.29Å
662	P	43.1	Very low	43	Very low	115 Å²	115	116.4 Å²	116.4	75%	0.747	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-9.9	-176.8	27	-31.3	0	0	0	114.6
663	D	42	Very low	43.6	Very low	143 Å²	143	114.6 Å²	114.6	77%	0.765	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	4.1	-172.2	-65.1	-27.8	0	0	0	114.6	N661 F665	N661-D663 PolarHBondContact O-N 3.29Å; D663-F665 PolarHBondContact O-N 2.92Å; D663-F665 VanDerWaalsContact O-N 3.1Å
664	A	37.1	Very low	45.3	Very low	78 Å²	78	113.1 Å²	113.1	65%	0.645	65%	0.651	S	S	*	*			trans	-87.7	65.5	-179.6	0	0	0	0	0	112.8	A666	A664-A666 PolarHBondContact O-N 3.42Å
665	F	37.9	Very low	47.7	Very low	169 Å²	169	109.3 Å²	109.3	74%	0.741	62%	0.619	S	S	*	*			trans	-78.2	99.1	165.7	-105.5	-90.2	0	0	0	109.8	D663 L667	D663-F665 PolarHBondContact O-N 2.92Å; D663-F665 VanDerWaalsContact O-N 3.1Å; F665-L667 PolarHBondContact O-N 3.39Å
666	A	35.7	Very low	49.8	Very low	97 Å²	97	106.5 Å²	106.5	80%	0.802	60%	0.597	S	S	*	*			trans	-69	91.9	174.4	0	0	0	0	0	111.2	A664	A664-A666 PolarHBondContact O-N 3.42Å
667	L	39.4	Very low	52.2	Low	65 Å²	65	103.3 Å²	103.3	34%	0.34	57%	0.572	S	S	.	*			trans	-70.2	120.2	165.8	-81.9	157.3	0	0	0	109	F623 F665 T669	F623-L667 HydrophobicContact CB-CD1 4.15Å; F665-L667 PolarHBondContact O-N 3.39Å; L667-T669 PolarHBondContact O-N 3.36Å
668	S	36.7	Very low	54.7	Low	77 Å²	77	95.2 Å²	95.2	54%	0.538	53%	0.534	S	S	.	.			trans	-70	123.4	174	60	0	0	0	0	110.3	T670	S668-T670 PolarHBondContact O-N 3.36Å
669	T	40.5	Very low	57.4	Low	103 Å²	103	89 Å²	89	63%	0.632	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	12.7	-172.4	3.8	0	0	0	0	116.4	L667	L667-T669 PolarHBondContact O-N 3.36Å
670	T	39.9	Very low	59.6	Low	129 Å²	129	80.3 Å²	80.3	79%	0.791	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.5	20	-160.4	-27.8	0	0	0	0	115.6	S668	S668-T670 PolarHBondContact O-N 3.36Å
671	S	41.2	Very low	61.8	Low	48 Å²	48	77.1 Å²	77.1	34%	0.336	44%	0.44	S	S	.	.	S	Bend	trans	-147.6	121.2	173.4	64	0	0	0	0	111.5	K647 S673	K647-S671 PolarHBondContact NZ-OG 3.39Å; S671-S673 PolarHBondContact O-N 2.81Å; S671-S673 VanDerWaalsContact O-N 3.07Å
672	Q	54	Low	64.2	Low	152 Å²	152	73.3 Å²	73.3	71%	0.71	42%	0.419	S	S	*	.			trans	-36.5	113.4	172.8	-72.9	165.8	-21.4	0	0	110.5
673	S	63.9	Low	66.6	Low	16 Å²	16	70.8 Å²	70.8	11%	0.112	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-67.7	130.4	171.8	-55.1	0	0	0	0	108	S671	S671-S673 PolarHBondContact O-N 2.81Å; S671-S673 VanDerWaalsContact O-N 3.07Å
674	N	80.9	Confident	69.1	Low	100 Å²	100	68.3 Å²	68.3	54%	0.535	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-66.7	139.2	178	-64.7	-19.4	0	0	0	108.8	S645 D676	S645-N674 PolarHBondContact N-O 3.01Å; S645-N674 WeakPolarHBondContact OG-CB 3.37Å; S645-N674 PolarHBondContact OG-N 3.17Å; S645-N674 PolarHBondContact OG-O 3.35Å; N674-D676 PolarHBondContact O-N 3.37Å
675	I	88.7	Confident	71.6	Confident	9 Å²	9	66 Å²	66	5%	0.046	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	120.2	175.1	-61	163.3	0	0	0	107.9	V642 F644 I678 V701 I776 V779 Y780	V642-I675 HydrophobicContact CG1-CG1 4.47Å; V642-I675 HydrophobicContact CG1-CG2 3.98Å; F644-I675 HydrophobicContact CD1-CG1 4.26Å; F644-I675 HydrophobicContact CE1-CG1 4.02Å; I675-I678 HydrophobicContact CG2-CD1 3.95Å; I675-I678 HydrophobicContact CG2-CG1 3.56Å; I675-V701 HydrophobicContact CG2-CG2 4.47Å; I675-V701 WeakPolarHBondContact O-CB 3.43Å; I675-I776 HydrophobicContact CD1-CG2 4.13Å; I675-V779 HydrophobicContact CD1-CB 4.06Å; I675-V779 HydrophobicContact CD1-CG1 3.62Å; I675-V779 HydrophobicContact CG1-CG1 4.19Å; I675-Y780 HydrophobicContact CD1-CD2 4.39Å; I675-Y780 HydrophobicContact CD1-CE1 4.3Å; I675-Y780 HydrophobicContact CD1-CE2 3.96Å
676	D	91.3	Very high	74.1	Confident	54 Å²	54	65.9 Å²	65.9	29%	0.289	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-44.1	179.2	-74.6	-11.1	0	0	0	111	H643 S645 N674 N700 V701 A702	H643-D676 PolarHBondContact O-N 3.34Å; S645-D676 WeakPolarHBondContact CA-OD2 3.4Å; S645-D676 VanDerWaalsContact CB-OD1 3.31Å; S645-D676 WeakPolarHBondContact CB-OD1 3.25Å; S645-D676 WeakPolarHBondContact CB-OD2 3.45Å; S645-D676 PolarHBondContact N-OD2 2.85Å; N674-D676 PolarHBondContact O-N 3.37Å; D676-N700 PolarHBondContact O-OD1 2.92Å; D676-V701 PolarHBondContact O-N 2.77Å; D676-A702 HydrophobicContact CB-CB 4.23Å; D676-A702 PolarHBondContact O-N 3.28Å; D676-A702 VanDerWaalsContact O-N 3.12Å
677	K	94	Very high	76.7	Confident	65 Å²	65	69.8 Å²	69.8	28%	0.283	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	136.4	-174.3	-176.4	-173.8	178.1	-161.5	0	111	V642 H643 V679 I698 F699	V642-K677 WeakPolarHBondContact CA-O 3.36Å; H643-K677 HydrophobicContact CB-CB 4.25Å; H643-K677 PolarHBondContact N-O 3.5Å; H643-K677 PolarHBondContact O-N 2.53Å; K677-V679 HydrophobicContact CD-CG2 4.26Å; K677-V679 VanDerWaalsContact CE-CG2 3.5Å; K677-V679 HydrophobicContact CG-CG2 4.31Å; K677-I698 HydrophobicContact CD-CG2 4.28Å; K677-I698 HydrophobicContact CG-CG2 4.03Å; K677-F699 CarbonylContact C-O 3.56Å; K677-F699 VanDerWaalsContact CA-O 3.31Å; K677-F699 WeakPolarHBondContact CA-O 3.24Å
678	I	96	Very high	79	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.2	170	-53.7	173.6	0	0	0	108	R640 E641 V642 I675 E680 I698 F699 I776 V779	R640-I678 HydrophobicContact CG-CG2 4.19Å; E641-I678 CarbonylContact O-C 3.57Å; E641-I678 WeakPolarHBondContact O-CA 3.46Å; V642-I678 HydrophobicContact CG1-CG1 4.5Å; V642-I678 HydrophobicContact CG2-CG2 4.49Å; I675-I678 HydrophobicContact CG2-CD1 3.95Å; I675-I678 HydrophobicContact CG2-CG1 3.56Å; I678-E680 HydrophobicContact CG2-CG 4.13Å; I678-I698 CarbonylContact O-C 3.48Å; I678-I698 WeakPolarHBondContact O-CA 3.28Å; I678-F699 HydrophobicContact CB-CB 4.3Å; I678-F699 HydrophobicContact CB-CD2 4.34Å; I678-F699 PolarHBondContact N-O 2.96Å; I678-F699 PolarHBondContact O-N 2.9Å; I678-I776 HydrophobicContact CD1-CG1 3.86Å; I678-V779 HydrophobicContact CD1-CG2 4.02Å; I678-V779 HydrophobicContact CG1-CG2 4.49Å
679	V	97	Very high	81.5	Confident	4 Å²	4	73.4 Å²	73.4	2%	0.024	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.4	173.7	-178.9	0	0	0	0	108	R640 E641 K677 E696 K697 I698	R640-V679 CarbonylContact C-O 3.54Å; R640-V679 VanDerWaalsContact CA-O 3.23Å; R640-V679 WeakPolarHBondContact CA-O 2.97Å; E641-V679 HydrophobicContact CB-CB 4.27Å; E641-V679 PolarHBondContact N-O 2.88Å; E641-V679 PolarHBondContact O-N 2.83Å; K677-V679 HydrophobicContact CD-CG2 4.26Å; K677-V679 VanDerWaalsContact CE-CG2 3.5Å; K677-V679 HydrophobicContact CG-CG2 4.31Å; V679-E696 HydrophobicContact CG1-CG 4.08Å; V679-K697 CarbonylContact C-O 3.59Å; V679-K697 WeakPolarHBondContact CA-O 3.47Å; V679-I698 HydrophobicContact CG1-CG1 4.31Å; V679-I698 HydrophobicContact CG2-CG1 4.26Å; V679-I698 HydrophobicContact CG2-CG2 4.33Å
680	E	97	Very high	83.8	Confident	6 Å²	6	68.8 Å²	68.8	3%	0.028	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.3	176.2	-67.6	-176.4	153.1	0	0	109.5	L637 Y639 R640 I678 F682 E696 K697 S775	L637-E680 HydrophobicContact CD1-CB 3.86Å; L637-E680 HydrophobicContact CD1-CG 4.26Å; Y639-E680 WeakPolarHBondContact O-CA 3.41Å; R640-E680 HydrophobicContact CB-CG 4.47Å; R640-E680 HydrophobicContact CG-CG 4.06Å; R640-E680 IonicContact CZ-OE1 2.99Å; R640-E680 IonicContact NE-OE1 3.52Å; R640-E680 PolarHBondContact NE-OE1 2.81Å; R640-E680 IonicContact NH2-OE1 3.69Å; R640-E680 PolarHBondContact NH2-OE1 2.78Å; I678-E680 HydrophobicContact CG2-CG 4.13Å; E680-F682 HydrophobicContact CB-CE2 3.82Å; E680-F682 HydrophobicContact CB-CZ 3.92Å; E680-E696 CarbonylContact O-C 3.55Å; E680-E696 VanDerWaalsContact O-CA 3.29Å; E680-E696 WeakPolarHBondContact O-CA 3.38Å; E680-K697 HydrophobicContact CB-CB 4.44Å; E680-K697 PolarHBondContact N-O 2.81Å; E680-K697 PolarHBondContact O-N 2.89Å; E680-K697 IonicContact OE2-NZ 2.63Å; E680-S775 PolarHBondContact OE1-OG 3.28Å; E680-S775 PolarHBondContact OE2-OG 3.04Å
681	R	97	Very high	86.1	Confident	81 Å²	81	63.7 Å²	63.7	31%	0.306	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.7	178.2	-58.7	176.6	172.6	150.7	2.8	112.1	Y638 Y639 A695 E696	Y638-R681 HydrophobicContact CD1-CB 4.34Å; Y638-R681 WeakPolarHBondContact CD1-O 3.48Å; Y638-R681 HydrophobicContact CE1-CB 3.55Å; Y638-R681 PolarHBondContact N-O 2.8Å; Y639-R681 HydrophobicContact CD1-CB 4.47Å; Y639-R681 HydrophobicContact CD1-CG 4.12Å; Y639-R681 PolarHBondContact N-O 2.9Å; Y639-R681 PolarHBondContact O-N 2.96Å; R681-A695 VanDerWaalsContact CA-O 3.3Å; R681-A695 WeakPolarHBondContact CA-O 3.46Å; R681-E696 HydrophobicContact CG-CB 4.31Å; R681-E696 HydrophobicContact CG-CG 3.99Å; R681-E696 IonicContact CZ-OE2 3.25Å; R681-E696 IonicContact NE-OE2 2.86Å; R681-E696 PolarHBondContact NE-OE2 2.84Å; R681-E696 IonicContact NH2-OE2 3.04Å; R681-E696 PolarHBondContact NH2-OE2 3.44Å; R681-E696 VanDerWaalsContact NH2-OE2 3.08Å
682	F	95.9	Very high	88.2	Confident	28 Å²	28	65.6 Å²	65.6	12%	0.123	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.6	-172.7	-55.7	-92	0	0	0	111.1	D635 H636 L637 Y638 E680 I694 A695 K697 H711	D635-F682 WeakPolarHBondContact O-CD1 3.48Å; H636-F682 CarbonylContact O-C 3.28Å; H636-F682 VanDerWaalsContact O-CA 3.31Å; H636-F682 WeakPolarHBondContact O-CA 3.32Å; L637-F682 HydrophobicContact CB-CD1 3.98Å; L637-F682 HydrophobicContact CB-CE1 3.79Å; L637-F682 HydrophobicContact CD1-CD1 4.21Å; L637-F682 HydrophobicContact CD1-CE1 3.71Å; L637-F682 HydrophobicContact CD1-CE2 4.41Å; L637-F682 HydrophobicContact CD1-CZ 3.79Å; L637-F682 HydrophobicContact CG-CE1 4.32Å; Y638-F682 WeakPolarHBondContact CE1-O 3.13Å; E680-F682 HydrophobicContact CB-CE2 3.82Å; E680-F682 HydrophobicContact CB-CZ 3.92Å; F682-I694 WeakPolarHBondContact CB-O 3.47Å; F682-A695 PolarHBondContact N-O 2.8Å; F682-K697 HydrophobicContact CE2-CB 4.38Å; F682-K697 HydrophobicContact CE2-CD 4.26Å; F682-K697 HydrophobicContact CE2-CG 4.02Å; F682-H711 PolarHBondContact O-CE1 3.25Å; F682-H711 PolarHBondContact O-NE2 2.95Å
683	T	93.6	Very high	90	Very high	63 Å²	63	59.1 Å²	59.1	39%	0.387	28%	0.283	S	S	.	.			trans	-80.2	153.1	170.2	54.2	0	0	0	0	109.9	H636 Y638 N685	H636-T683 WeakPolarHBondContact CB-O 3.35Å; H636-T683 VanDerWaalsContact CB-OG1 3.25Å; H636-T683 WeakPolarHBondContact CB-OG1 3Å; H636-T683 PolarHBondContact ND1-OG1 3.07Å; H636-T683 VanDerWaalsContact ND1-OG1 3.11Å; H636-T683 PolarHBondContact O-N 3.42Å; H636-T683 PolarHBondContact O-OG1 2.96Å; H636-T683 VanDerWaalsContact O-OG1 3.12Å; Y638-T683 HydrophobicContact CD1-CG2 3.65Å; Y638-T683 HydrophobicContact CE1-CG2 4.39Å; Y638-T683 HydrophobicContact CG-CG2 4.06Å; T683-N685 PolarHBondContact O-N 2.85Å
684	R	92.5	Very high	91.4	Very high	91 Å²	91	60.3 Å²	60.3	34%	0.343	29%	0.288	S	S	.	.			trans	-63.5	124.3	-175.7	177	65.7	179.8	122	9.8	111.1	I688 D693	R684-I688 PolarHBondContact NH1-O 2.84Å; R684-I688 PolarHBondContact NH2-O 3.27Å; R684-D693 WeakPolarHBondContact CD-OD2 3.49Å; R684-D693 IonicContact CZ-OD2 3.34Å; R684-D693 IonicContact NE-OD2 3.64Å; R684-D693 VanDerWaalsContact NH1-CG 3.29Å; R684-D693 IonicContact NH1-OD2 2.79Å; R684-D693 PolarHBondContact NH1-OD2 2.79Å
685	N	91.5	Very high	92.1	Very high	28 Å²	28	56.5 Å²	56.5	15%	0.15	27%	0.27	C	S	.	.			trans	-91.8	110.5	167.2	-175.6	-11.4	0	0	0	110	T683 E687 I688 D693	T683-N685 PolarHBondContact O-N 2.85Å; N685-E687 PolarHBondContact O-N 3.48Å; N685-E687 WeakPolarHBondContact OD1-CB 3.12Å; N685-E687 PolarHBondContact OD1-N 3.27Å; N685-I688 HydrophobicContact CB-CD1 4.47Å; N685-I688 PolarHBondContact O-N 3.37Å; N685-D693 PolarHBondContact N-OD2 2.8Å
686	E	89.8	Confident	92.5	Very high	167 Å²	167	57.9 Å²	57.9	78%	0.78	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.6	-178.2	-63	-161	158.1	0	0	114.3
687	E	89.4	Confident	92.7	Very high	180 Å²	180	56.2 Å²	56.2	84%	0.841	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-21.4	179	-57.8	-174.1	163.5	0	0	113.3	N685	N685-E687 PolarHBondContact O-N 3.48Å; N685-E687 WeakPolarHBondContact OD1-CB 3.12Å; N685-E687 PolarHBondContact OD1-N 3.27Å
688	I	88.5	Confident	92.8	Very high	70 Å²	70	54.5 Å²	54.5	36%	0.359	26%	0.261	S	S	.	.	S	Bend	trans	-106.6	141.7	-177	-54.8	174.2	0	0	0	108.9	R684 N685 A690 E692 D693	R684-I688 PolarHBondContact NH1-O 2.84Å; R684-I688 PolarHBondContact NH2-O 3.27Å; N685-I688 HydrophobicContact CB-CD1 4.47Å; N685-I688 PolarHBondContact O-N 3.37Å; I688-A690 PolarHBondContact O-N 3.45Å; I688-E692 HydrophobicContact CG2-CB 4.03Å; I688-D693 HydrophobicContact CB-CB 4.14Å; I688-D693 HydrophobicContact CG2-CB 3.98Å
689	E	89.1	Confident	92.8	Very high	148 Å²	148	54.5 Å²	54.5	69%	0.692	26%	0.261	S	S	*	.			trans	-57.8	138.6	171.4	-78.9	-70.1	154.1	0	0	111	D691 E692 D693	E689-D691 PolarHBondContact O-N 3Å; E689-D691 VanDerWaalsContact O-N 3.12Å; E689-E692 PolarHBondContact O-N 2.69Å; E689-D693 PolarHBondContact O-N 3.34Å
690	A	89.3	Confident	92.6	Very high	5 Å²	5	55.5 Å²	55.5	4%	0.041	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30	-173.3	0	0	0	0	0	113.6	I688 E692 D693 H711	I688-A690 PolarHBondContact O-N 3.45Å; A690-E692 PolarHBondContact O-N 2.95Å; A690-D693 PolarHBondContact O-N 3Å; A690-H711 CarbonylContact C-O 3.53Å; A690-H711 HydrophobicContact CB-CB 4.23Å; A690-H711 PolarHBondContact O-N 3.01Å
691	D	86.9	Confident	92.2	Very high	23 Å²	23	57.2 Å²	57.2	12%	0.123	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-15.5	176.6	-69.7	-26.9	0	0	0	113.9	E689 Y710 R716 C720	E689-D691 PolarHBondContact O-N 3Å; E689-D691 VanDerWaalsContact O-N 3.12Å; D691-Y710 VanDerWaalsContact O-CD1 3.28Å; D691-Y710 WeakPolarHBondContact O-CD1 3.48Å; D691-R716 IonicContact OD1-CZ 2.96Å; D691-R716 IonicContact OD1-NH1 2.61Å; D691-R716 PolarHBondContact OD1-NH1 3.32Å; D691-R716 IonicContact OD1-NH2 2.97Å; D691-R716 IonicContact OD2-CZ 3.76Å; D691-R716 IonicContact OD2-NH1 3.46Å; D691-R716 PolarHBondContact OD2-NH1 2.82Å; D691-R716 IonicContact OD2-NH2 3.84Å; D691-R716 PolarHBondContact OD2-NH2 3.25Å; D691-C720 PolarHBondContact OD1-SG 2.92Å
692	E	86.6	Confident	91.8	Very high	88 Å²	88	56.5 Å²	56.5	41%	0.411	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-10	179.2	-65.1	-65.8	157.1	0	0	112.2	I688 E689 A690 K756	I688-E692 HydrophobicContact CG2-CB 4.03Å; E689-E692 PolarHBondContact O-N 2.69Å; A690-E692 PolarHBondContact O-N 2.95Å; E692-K756 VanDerWaalsContact OE1-CE 3.29Å; E692-K756 WeakPolarHBondContact OE1-CE 3.25Å; E692-K756 IonicContact OE1-NZ 2.75Å; E692-K756 WeakPolarHBondContact OE2-CE 3.44Å; E692-K756 IonicContact OE2-NZ 2.75Å; E692-K756 PolarHBondContact OE2-NZ 3.35Å
693	D	92.1	Very high	91.4	Very high	15 Å²	15	60.8 Å²	60.8	8%	0.08	31%	0.308	C	S	.	.	S	Bend	trans	-92.3	118.9	178.4	-172	24.8	0	0	0	111.2	R684 N685 I688 E689 A690 A695 Y710 H711	R684-D693 WeakPolarHBondContact CD-OD2 3.49Å; R684-D693 IonicContact CZ-OD2 3.34Å; R684-D693 IonicContact NE-OD2 3.64Å; R684-D693 VanDerWaalsContact NH1-CG 3.29Å; R684-D693 IonicContact NH1-OD2 2.79Å; R684-D693 PolarHBondContact NH1-OD2 2.79Å; N685-D693 PolarHBondContact N-OD2 2.8Å; I688-D693 HydrophobicContact CB-CB 4.14Å; I688-D693 HydrophobicContact CG2-CB 3.98Å; E689-D693 PolarHBondContact O-N 3.34Å; A690-D693 PolarHBondContact O-N 3Å; D693-A695 PolarHBondContact O-N 2.92Å; D693-Y710 CarbonylContact O-C 3.55Å; D693-Y710 WeakPolarHBondContact O-CA 3.19Å; D693-H711 VanDerWaalsContact CG-CD2 3.49Å; D693-H711 PolarHBondContact O-N 3.27Å; D693-H711 IonicContact OD2-CD2 2.93Å; D693-H711 PolarHBondContact OD2-CD2 3.15Å; D693-H711 IonicContact OD2-CG 3.87Å; D693-H711 IonicContact OD2-NE2 3.54Å
694	I	93.2	Very high	91.2	Very high	42 Å²	42	61.7 Å²	61.7	22%	0.215	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.8	-171.5	-58.6	170.6	0	0	0	109.7	F682 K697 Y710	F682-I694 WeakPolarHBondContact CB-O 3.47Å; I694-K697 HydrophobicContact CD1-CD 4.41Å; I694-K697 HydrophobicContact CG2-CD 4.27Å; I694-K697 HydrophobicContact CG2-CG 3.49Å; I694-K697 VanDerWaalsContact CG2-CG 3.49Å; I694-Y710 HydrophobicContact CG1-CD1 4.05Å; I694-Y710 HydrophobicContact CG1-CE1 3.7Å
695	A	94.7	Very high	91.2	Very high	19 Å²	19	62.1 Å²	62.1	16%	0.157	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-37.1	177.3	0	0	0	0	0	112.9	R681 F682 D693 T709 H711	R681-A695 VanDerWaalsContact CA-O 3.3Å; R681-A695 WeakPolarHBondContact CA-O 3.46Å; F682-A695 PolarHBondContact N-O 2.8Å; D693-A695 PolarHBondContact O-N 2.92Å; A695-T709 WeakPolarHBondContact CA-O 3.39Å; A695-T709 PolarHBondContact N-O 3.36Å; A695-H711 WeakPolarHBondContact CA-NE2 3.17Å; A695-H711 HydrophobicContact CB-CB 4.45Å
696	E	96.8	Very high	91.4	Very high	38 Å²	38	60.8 Å²	60.8	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	131.2	179.9	-174.4	178.9	75.1	0	0	110.4	V679 E680 R681 I698 T709	V679-E696 HydrophobicContact CG1-CG 4.08Å; E680-E696 CarbonylContact O-C 3.55Å; E680-E696 VanDerWaalsContact O-CA 3.29Å; E680-E696 WeakPolarHBondContact O-CA 3.38Å; R681-E696 HydrophobicContact CG-CB 4.31Å; R681-E696 HydrophobicContact CG-CG 3.99Å; R681-E696 IonicContact CZ-OE2 3.25Å; R681-E696 IonicContact NE-OE2 2.86Å; R681-E696 PolarHBondContact NE-OE2 2.84Å; R681-E696 IonicContact NH2-OE2 3.04Å; R681-E696 PolarHBondContact NH2-OE2 3.44Å; R681-E696 VanDerWaalsContact NH2-OE2 3.08Å; E696-I698 HydrophobicContact CG-CG1 4.08Å; E696-T709 PolarHBondContact N-O 2.91Å; E696-T709 PolarHBondContact O-N 2.8Å
697	K	95.9	Very high	91.6	Very high	20 Å²	20	54.4 Å²	54.4	9%	0.087	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.1	169.8	-67.1	-168.3	-79.5	166.8	0	109.2	V679 E680 F682 I694 F699 L708 E771	V679-K697 CarbonylContact C-O 3.59Å; V679-K697 WeakPolarHBondContact CA-O 3.47Å; E680-K697 HydrophobicContact CB-CB 4.44Å; E680-K697 PolarHBondContact N-O 2.81Å; E680-K697 PolarHBondContact O-N 2.89Å; E680-K697 IonicContact OE2-NZ 2.63Å; F682-K697 HydrophobicContact CE2-CB 4.38Å; F682-K697 HydrophobicContact CE2-CD 4.26Å; F682-K697 HydrophobicContact CE2-CG 4.02Å; I694-K697 HydrophobicContact CD1-CD 4.41Å; I694-K697 HydrophobicContact CG2-CD 4.27Å; I694-K697 HydrophobicContact CG2-CG 3.49Å; I694-K697 VanDerWaalsContact CG2-CG 3.49Å; K697-F699 HydrophobicContact CB-CE2 4.34Å; K697-F699 HydrophobicContact CD-CZ 4.28Å; K697-L708 HydrophobicContact CB-CD2 4.35Å; K697-L708 HydrophobicContact CD-CD2 4.23Å; K697-L708 HydrophobicContact CG-CD2 3.77Å; K697-E771 IonicContact NZ-OE2 2.68Å; K697-E771 PolarHBondContact NZ-OE2 2.85Å
698	I	96.7	Very high	91.9	Very high	29 Å²	29	46 Å²	46	15%	0.149	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	111	175	-55.1	-179.5	0	0	0	108.6	K677 I678 V679 E696 I706 S707	K677-I698 HydrophobicContact CD-CG2 4.28Å; K677-I698 HydrophobicContact CG-CG2 4.03Å; I678-I698 CarbonylContact O-C 3.48Å; I678-I698 WeakPolarHBondContact O-CA 3.28Å; V679-I698 HydrophobicContact CG1-CG1 4.31Å; V679-I698 HydrophobicContact CG2-CG1 4.26Å; V679-I698 HydrophobicContact CG2-CG2 4.33Å; E696-I698 HydrophobicContact CG-CG1 4.08Å; I698-I706 CarbonylContact O-C 3.56Å; I698-I706 WeakPolarHBondContact O-CA 3.43Å; I698-S707 PolarHBondContact N-O 3.22Å; I698-S707 PolarHBondContact O-N 3.02Å
699	F	95.1	Very high	92.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	100.7	169.7	-56.9	-71.9	0	0	0	108.6	K677 I678 K697 V701 I706 E771 E772	K677-F699 CarbonylContact C-O 3.56Å; K677-F699 VanDerWaalsContact CA-O 3.31Å; K677-F699 WeakPolarHBondContact CA-O 3.24Å; I678-F699 HydrophobicContact CB-CB 4.3Å; I678-F699 HydrophobicContact CB-CD2 4.34Å; I678-F699 PolarHBondContact N-O 2.96Å; I678-F699 PolarHBondContact O-N 2.9Å; K697-F699 HydrophobicContact CB-CE2 4.34Å; K697-F699 HydrophobicContact CD-CZ 4.28Å; F699-V701 PolarHBondContact O-N 2.92Å; F699-I706 HydrophobicContact CD1-CB 4.47Å; F699-I706 HydrophobicContact CD1-CD1 4.13Å; F699-I706 HydrophobicContact CD1-CG1 4.04Å; F699-I706 HydrophobicContact CD1-CG2 3.78Å; F699-I706 HydrophobicContact CE1-CD1 4.29Å; F699-I706 HydrophobicContact CE1-CG2 3.83Å; F699-E771 HydrophobicContact CZ-CB 4.24Å; F699-E772 HydrophobicContact CB-CG 4.26Å; F699-E772 HydrophobicContact CD1-CB 3.64Å; F699-E772 HydrophobicContact CD1-CG 3.9Å; F699-E772 WeakPolarHBondContact CD1-OE2 3.36Å; F699-E772 HydrophobicContact CE1-CB 3.75Å; F699-E772 HydrophobicContact CG-CB 4.25Å; F699-E772 HydrophobicContact CG-CG 4.15Å; F699-E772 HydrophobicContact CZ-CB 4.43Å
700	N	92.7	Very high	92.4	Very high	25 Å²	25	38 Å²	38	13%	0.134	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	92.8	171.3	-163.1	-26.1	0	0	0	108.4	D676 E703 E704 R705 K726	D676-N700 PolarHBondContact O-OD1 2.92Å; N700-E703 HydrophobicContact CB-CB 4.28Å; N700-E703 WeakPolarHBondContact ND2-CG 3.28Å; N700-E703 PolarHBondContact ND2-OE2 3.26Å; N700-E703 PolarHBondContact OD1-N 3.42Å; N700-E703 VanDerWaalsContact OD1-N 3.12Å; N700-E704 PolarHBondContact O-N 3.25Å; N700-E704 VanDerWaalsContact O-N 3.15Å; N700-R705 WeakPolarHBondContact CA-O 3.36Å; N700-R705 HydrophobicContact CB-CB 4.29Å; N700-R705 PolarHBondContact N-O 3.46Å; N700-R705 PolarHBondContact O-N 3.4Å; N700-K726 PolarHBondContact O-NZ 2.89Å
701	V	89.7	Confident	92.6	Very high	41 Å²	41	39.1 Å²	39.1	25%	0.248	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-40.9	-175.7	-176.5	0	0	0	0	110.2	I675 D676 F699 E704 I776	I675-V701 HydrophobicContact CG2-CG2 4.47Å; I675-V701 WeakPolarHBondContact O-CB 3.43Å; D676-V701 PolarHBondContact O-N 2.77Å; F699-V701 PolarHBondContact O-N 2.92Å; V701-E704 PolarHBondContact O-N 2.8Å; V701-I776 HydrophobicContact CG2-CD1 4.06Å
702	A	87.9	Confident	92.8	Very high	66 Å²	66	41.3 Å²	41.3	55%	0.545	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-35.3	-179.8	0	0	0	0	0	113.5	D676	D676-A702 HydrophobicContact CB-CB 4.23Å; D676-A702 PolarHBondContact O-N 3.28Å; D676-A702 VanDerWaalsContact O-N 3.12Å
703	E	88.6	Confident	92.7	Very high	118 Å²	118	37.6 Å²	37.6	55%	0.551	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	5.2	178.9	-63.1	179.7	-174.5	0	0	113.9	N700 R705	N700-E703 HydrophobicContact CB-CB 4.28Å; N700-E703 WeakPolarHBondContact ND2-CG 3.28Å; N700-E703 PolarHBondContact ND2-OE2 3.26Å; N700-E703 PolarHBondContact OD1-N 3.42Å; N700-E703 VanDerWaalsContact OD1-N 3.12Å; E703-R705 WeakPolarHBondContact O-CG 3.26Å; E703-R705 PolarHBondContact O-N 2.91Å
704	E	89.1	Confident	92.2	Very high	82 Å²	82	46.2 Å²	46.2	38%	0.383	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	40.2	-177.5	-66.5	-175.3	173.7	0	0	112.9	N700 V701 K726	N700-E704 PolarHBondContact O-N 3.25Å; N700-E704 VanDerWaalsContact O-N 3.15Å; V701-E704 PolarHBondContact O-N 2.8Å; E704-K726 HydrophobicContact CB-CB 4.16Å; E704-K726 HydrophobicContact CB-CD 4.35Å; E704-K726 WeakPolarHBondContact O-CG 3.48Å; E704-K726 PolarHBondContact O-N 2.97Å
705	R	92.6	Very high	91.7	Very high	100 Å²	100	54.1 Å²	54.1	38%	0.377	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.2	-177	-74.4	168.2	-176	-141.2	10.7	112.9	N700 E703 E723 F724 I725	N700-R705 WeakPolarHBondContact CA-O 3.36Å; N700-R705 HydrophobicContact CB-CB 4.29Å; N700-R705 PolarHBondContact N-O 3.46Å; N700-R705 PolarHBondContact O-N 3.4Å; E703-R705 WeakPolarHBondContact O-CG 3.26Å; E703-R705 PolarHBondContact O-N 2.91Å; R705-E723 WeakPolarHBondContact CD-OE1 3.42Å; R705-E723 IonicContact CZ-OE1 2.67Å; R705-E723 IonicContact NE-OE1 2.66Å; R705-E723 IonicContact NH1-OE1 2.68Å; R705-E723 PolarHBondContact NH1-OE1 2.92Å; R705-F724 VanDerWaalsContact CA-O 3.32Å; R705-F724 WeakPolarHBondContact CA-O 3.01Å; R705-I725 HydrophobicContact CG-CG1 4.43Å
706	I	94.2	Very high	91.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.6	172.8	-51.9	179.5	0	0	0	108.1	I698 F699 L708 E723 F724 K726 L768 L769	I698-I706 CarbonylContact O-C 3.56Å; I698-I706 WeakPolarHBondContact O-CA 3.43Å; F699-I706 HydrophobicContact CD1-CB 4.47Å; F699-I706 HydrophobicContact CD1-CD1 4.13Å; F699-I706 HydrophobicContact CD1-CG1 4.04Å; F699-I706 HydrophobicContact CD1-CG2 3.78Å; F699-I706 HydrophobicContact CE1-CD1 4.29Å; F699-I706 HydrophobicContact CE1-CG2 3.83Å; I706-L708 HydrophobicContact CG2-CD2 4.24Å; I706-E723 CarbonylContact O-C 3.48Å; I706-E723 VanDerWaalsContact O-CA 3.29Å; I706-E723 WeakPolarHBondContact O-CA 3.04Å; I706-F724 HydrophobicContact CB-CB 4.34Å; I706-F724 PolarHBondContact N-O 3.14Å; I706-F724 PolarHBondContact O-N 3.08Å; I706-K726 HydrophobicContact CD1-CG 4.47Å; I706-K726 HydrophobicContact CG1-CG 4.37Å; I706-L768 HydrophobicContact CD1-CB 3.99Å; I706-L768 HydrophobicContact CG2-CD1 4.43Å; I706-L768 HydrophobicContact CG2-CD2 4.44Å; I706-L769 HydrophobicContact CD1-CD2 4.42Å
707	S	94.8	Very high	90.5	Very high	34 Å²	34	62.7 Å²	62.7	24%	0.238	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132	178.2	-48.2	0	0	0	0	110.6	I698	I698-S707 PolarHBondContact N-O 3.22Å; I698-S707 PolarHBondContact O-N 3.02Å
708	L	95.4	Very high	90.2	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.3	179.3	-52.4	178.7	0	0	0	109.4	K697 I706 Y710 T721 R722 F724 M764 L768	K697-L708 HydrophobicContact CB-CD2 4.35Å; K697-L708 HydrophobicContact CD-CD2 4.23Å; K697-L708 HydrophobicContact CG-CD2 3.77Å; I706-L708 HydrophobicContact CG2-CD2 4.24Å; L708-Y710 HydrophobicContact CB-CE2 4.36Å; L708-T721 CarbonylContact O-C 3.57Å; L708-T721 VanDerWaalsContact O-CA 3.23Å; L708-T721 WeakPolarHBondContact O-CA 3.44Å; L708-R722 HydrophobicContact CB-CB 4.49Å; L708-R722 WeakPolarHBondContact CB-O 3.49Å; L708-R722 PolarHBondContact N-O 3.41Å; L708-R722 PolarHBondContact O-N 3.32Å; L708-F724 HydrophobicContact CD1-CE2 4.08Å; L708-M764 HydrophobicContact CD1-CE 4.42Å; L708-L768 HydrophobicContact CD1-CD1 3.87Å; L708-L768 HydrophobicContact CD1-CD2 4.27Å; L708-L768 HydrophobicContact CD2-CD2 3.86Å
709	T	95.3	Very high	89.9	Confident	37 Å²	37	65.6 Å²	65.6	23%	0.227	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.7	171	-56.8	0	0	0	0	108.3	A695 E696 P719 T721	A695-T709 WeakPolarHBondContact CA-O 3.39Å; A695-T709 PolarHBondContact N-O 3.36Å; E696-T709 PolarHBondContact N-O 2.91Å; E696-T709 PolarHBondContact O-N 2.8Å; T709-P719 HydrophobicContact CG2-CB 3.89Å; T709-P719 HydrophobicContact CG2-CG 3.74Å; T709-T721 HydrophobicContact CG2-CG2 4.3Å
710	Y	93.6	Very high	89.7	Confident	13 Å²	13	65.9 Å²	65.9	5%	0.051	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	162.8	-178.2	-65.1	-88.2	0	0	0	111.7	D691 D693 I694 L708 P719 C720 R722	D691-Y710 VanDerWaalsContact O-CD1 3.28Å; D691-Y710 WeakPolarHBondContact O-CD1 3.48Å; D693-Y710 CarbonylContact O-C 3.55Å; D693-Y710 WeakPolarHBondContact O-CA 3.19Å; I694-Y710 HydrophobicContact CG1-CD1 4.05Å; I694-Y710 HydrophobicContact CG1-CE1 3.7Å; L708-Y710 HydrophobicContact CB-CE2 4.36Å; Y710-P719 WeakPolarHBondContact O-CB 3.48Å; Y710-C720 HydrophobicContact CD2-CB 3.9Å; Y710-C720 WeakPolarHBondContact CD2-O 3.38Å; Y710-C720 HydrophobicContact CG-CB 4.34Å; Y710-C720 PolarHBondContact N-O 3.27Å; Y710-R722 HydrophobicContact CE2-CB 4.31Å
711	H	93.3	Very high	89.7	Confident	29 Å²	29	67.2 Å²	67.2	13%	0.134	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64.2	147.2	174.9	-81.1	-76.2	0	0	0	111.6	F682 A690 D693 A695 G713	F682-H711 PolarHBondContact O-CE1 3.25Å; F682-H711 PolarHBondContact O-NE2 2.95Å; A690-H711 CarbonylContact C-O 3.53Å; A690-H711 HydrophobicContact CB-CB 4.23Å; A690-H711 PolarHBondContact O-N 3.01Å; D693-H711 VanDerWaalsContact CG-CD2 3.49Å; D693-H711 PolarHBondContact O-N 3.27Å; D693-H711 IonicContact OD2-CD2 2.93Å; D693-H711 PolarHBondContact OD2-CD2 3.15Å; D693-H711 IonicContact OD2-CG 3.87Å; D693-H711 IonicContact OD2-NE2 3.54Å; A695-H711 WeakPolarHBondContact CA-NE2 3.17Å; A695-H711 HydrophobicContact CB-CB 4.45Å; H711-G713 PolarHBondContact O-N 2.94Å
712	V	90.8	Very high	89.9	Confident	69 Å²	69	66.1 Å²	66.1	42%	0.418	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-75.7	119	177	-175.6	0	0	0	0	109.2	R716 P719	V712-R716 HydrophobicContact CG1-CB 4.03Å; V712-R716 WeakPolarHBondContact CG1-O 3.43Å; V712-P719 HydrophobicContact CG2-CB 3.99Å; V712-P719 HydrophobicContact CG2-CG 4.45Å
713	G	83.6	Confident	90.1	Very high	10 Å²	10	65.9 Å²	65.9	10%	0.103	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-63.8	157.6	177.1	0	0	0	0	0	113.9	H711 E715 R716	H711-G713 PolarHBondContact O-N 2.94Å; G713-E715 PolarHBondContact O-N 3.06Å; G713-R716 PolarHBondContact O-N 3.38Å
714	K	81.6	Confident	90.3	Very high	197 Å²	197	60.2 Å²	60.2	86%	0.857	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	132.3	172.6	-67.3	180	-179.5	173.7	0	108.8
715	E	82.8	Confident	90.3	Very high	207 Å²	207	59.6 Å²	59.6	97%	0.967	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	17.3	-175.7	-48.8	-174.7	165.5	0	0	116.4	G713	G713-E715 PolarHBondContact O-N 3.06Å
716	R	81.7	Confident	90	Very high	72 Å²	72	55.8 Å²	55.8	27%	0.272	28%	0.284	S	S	.	.			trans	-117.5	156.8	174.3	-54.6	-174.6	-171.2	-176.8	14.1	111.2	D691 V712 G713	D691-R716 IonicContact OD1-CZ 2.96Å; D691-R716 IonicContact OD1-NH1 2.61Å; D691-R716 PolarHBondContact OD1-NH1 3.32Å; D691-R716 IonicContact OD1-NH2 2.97Å; D691-R716 IonicContact OD2-CZ 3.76Å; D691-R716 IonicContact OD2-NH1 3.46Å; D691-R716 PolarHBondContact OD2-NH1 2.82Å; D691-R716 IonicContact OD2-NH2 3.84Å; D691-R716 PolarHBondContact OD2-NH2 3.25Å; V712-R716 HydrophobicContact CG1-CB 4.03Å; V712-R716 WeakPolarHBondContact CG1-O 3.43Å; G713-R716 PolarHBondContact O-N 3.38Å
717	I	85.5	Confident	89.2	Confident	166 Å²	166	58.1 Å²	58.1	85%	0.851	30%	0.299	S	S	*	.	S	Bend	trans	-113.5	-22.9	-179.5	-51.2	172.4	0	0	0	111.1
718	V	89	Confident	88	Confident	77 Å²	77	60.9 Å²	60.9	47%	0.467	32%	0.318	S	S	.	.	S	Bend	trans	-116.3	137.3	-176.7	-170.6	0	0	0	0	108.9	F747 V749	V718-F747 HydrophobicContact CG1-CE1 3.7Å; V718-F747 HydrophobicContact CG1-CZ 4.3Å; V718-V749 WeakPolarHBondContact O-CG2 3.49Å
719	P	91.6	Very high	86.4	Confident	33 Å²	33	66.4 Å²	66.4	21%	0.214	35%	0.354	C	S	.	.			trans	-77.4	157.3	173.7	31.2	-34.5	0	0	0	111.8	T709 Y710 V712	T709-P719 HydrophobicContact CG2-CB 3.89Å; T709-P719 HydrophobicContact CG2-CG 3.74Å; Y710-P719 WeakPolarHBondContact O-CB 3.48Å; V712-P719 HydrophobicContact CG2-CB 3.99Å; V712-P719 HydrophobicContact CG2-CG 4.45Å
720	C	91	Very high	84.4	Confident	5 Å²	5	69 Å²	69	3%	0.034	37%	0.374	C	S	.	.			trans	-70.3	150.1	161.9	-64.8	0	0	0	0	109.2	D691 Y710 F747 V749	D691-C720 PolarHBondContact OD1-SG 2.92Å; Y710-C720 HydrophobicContact CD2-CB 3.9Å; Y710-C720 WeakPolarHBondContact CD2-O 3.38Å; Y710-C720 HydrophobicContact CG-CB 4.34Å; Y710-C720 PolarHBondContact N-O 3.27Å; C720-F747 WeakPolarHBondContact CA-O 3.32Å; C720-V749 PolarHBondContact SG-N 3.07Å
721	T	92.8	Very high	82.4	Confident	53 Å²	53	76.6 Å²	76.6	33%	0.325	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.9	175.2	67.2	0	0	0	0	111.6	L708 T709 A746 F747	L708-T721 CarbonylContact O-C 3.57Å; L708-T721 VanDerWaalsContact O-CA 3.23Å; L708-T721 WeakPolarHBondContact O-CA 3.44Å; T709-T721 HydrophobicContact CG2-CG2 4.3Å; T721-A746 WeakPolarHBondContact O-CA 3.47Å; T721-F747 PolarHBondContact N-O 2.98Å; T721-F747 PolarHBondContact O-N 3.49Å; T721-F747 WeakPolarHBondContact OG1-CB 3.23Å
722	R	92.7	Very high	80.4	Confident	19 Å²	19	81 Å²	81	7%	0.072	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	130.9	174	-174.7	171.3	-71.3	-164.9	-4.2	110.9	L708 Y710 F724 V745 A746 M764	L708-R722 HydrophobicContact CB-CB 4.49Å; L708-R722 WeakPolarHBondContact CB-O 3.49Å; L708-R722 PolarHBondContact N-O 3.41Å; L708-R722 PolarHBondContact O-N 3.32Å; Y710-R722 HydrophobicContact CE2-CB 4.31Å; R722-F724 HydrophobicContact CG-CD2 4.28Å; R722-F724 HydrophobicContact CG-CE2 3.73Å; R722-F724 HydrophobicContact CG-CZ 4.16Å; R722-V745 CarbonylContact C-O 3.58Å; R722-V745 VanDerWaalsContact CA-O 3.32Å; R722-V745 WeakPolarHBondContact CA-O 3.41Å; R722-A746 HydrophobicContact CB-CB 4.41Å; R722-A746 HydrophobicContact CG-CB 4.17Å; R722-M764 PolarHBondContact NH1-SD 3.04Å; R722-M764 VanDerWaalsContact NH1-SD 3.38Å
723	E	93.2	Very high	78.4	Confident	60 Å²	60	89.5 Å²	89.5	28%	0.28	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.7	177.4	-170.1	-179.6	173	0	0	109.4	R705 I706 H744 V745	R705-E723 WeakPolarHBondContact CD-OE1 3.42Å; R705-E723 IonicContact CZ-OE1 2.67Å; R705-E723 IonicContact NE-OE1 2.66Å; R705-E723 IonicContact NH1-OE1 2.68Å; R705-E723 PolarHBondContact NH1-OE1 2.92Å; I706-E723 CarbonylContact O-C 3.48Å; I706-E723 VanDerWaalsContact O-CA 3.29Å; I706-E723 WeakPolarHBondContact O-CA 3.04Å; E723-H744 CarbonylContact O-C 3.49Å; E723-H744 WeakPolarHBondContact O-CA 3.1Å; E723-H744 WeakPolarHBondContact O-CB 3.37Å; E723-V745 PolarHBondContact N-O 3.35Å; E723-V745 PolarHBondContact O-N 3.33Å
724	F	92	Very high	76.8	Confident	0 Å²	0	99.3 Å²	99.3	0%	0	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141	173.4	-68.2	-91.7	0	0	0	110	R705 I706 L708 R722 T743 H744 I761 M764 L765 L768	R705-F724 VanDerWaalsContact CA-O 3.32Å; R705-F724 WeakPolarHBondContact CA-O 3.01Å; I706-F724 HydrophobicContact CB-CB 4.34Å; I706-F724 PolarHBondContact N-O 3.14Å; I706-F724 PolarHBondContact O-N 3.08Å; L708-F724 HydrophobicContact CD1-CE2 4.08Å; R722-F724 HydrophobicContact CG-CD2 4.28Å; R722-F724 HydrophobicContact CG-CE2 3.73Å; R722-F724 HydrophobicContact CG-CZ 4.16Å; F724-T743 WeakPolarHBondContact CA-O 3.48Å; F724-H744 HydrophobicContact CD1-CB 3.6Å; F724-H744 HydrophobicContact CE1-CB 3.83Å; F724-H744 HydrophobicContact CG-CB 4.25Å; F724-I761 HydrophobicContact CE1-CG2 3.87Å; F724-M764 HydrophobicContact CZ-CB 4.24Å; F724-M764 HydrophobicContact CZ-CE 4.44Å; F724-L765 HydrophobicContact CB-CD1 4.1Å; F724-L765 HydrophobicContact CD1-CB 4.27Å; F724-L765 HydrophobicContact CD1-CD1 3.89Å; F724-L765 HydrophobicContact CE1-CB 4.16Å; F724-L765 HydrophobicContact CG-CD1 4.16Å; F724-L768 HydrophobicContact CD2-CD1 3.63Å; F724-L768 HydrophobicContact CE2-CD1 3.39Å; F724-L768 HydrophobicContact CG-CD1 4.49Å; F724-L768 HydrophobicContact CZ-CD1 4.09Å
725	I	89.6	Confident	75.5	Confident	69 Å²	69	97.8 Å²	97.8	35%	0.354	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123	168.2	-62.6	174.5	0	0	0	107	R705 T743	R705-I725 HydrophobicContact CG-CG1 4.43Å; I725-T743 PolarHBondContact N-O 2.75Å
726	K	85.1	Confident	74.3	Confident	19 Å²	19	91.9 Å²	91.9	8%	0.083	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-69.1	143.3	-177.5	-58.1	173.6	-157.7	174.6	0	110	N700 E704 I706 L769 E772	N700-K726 PolarHBondContact O-NZ 2.89Å; E704-K726 HydrophobicContact CB-CB 4.16Å; E704-K726 HydrophobicContact CB-CD 4.35Å; E704-K726 WeakPolarHBondContact O-CG 3.48Å; E704-K726 PolarHBondContact O-N 2.97Å; I706-K726 HydrophobicContact CD1-CG 4.47Å; I706-K726 HydrophobicContact CG1-CG 4.37Å; K726-L769 HydrophobicContact CD-CD2 4.25Å; K726-L769 HydrophobicContact CG-CD2 4.09Å; K726-E772 WeakPolarHBondContact CE-OE1 3.27Å; K726-E772 WeakPolarHBondContact CE-OE2 3.49Å; K726-E772 IonicContact NZ-OE1 3.69Å; K726-E772 PolarHBondContact NZ-OE1 3.25Å; K726-E772 IonicContact NZ-OE2 2.7Å; K726-E772 PolarHBondContact NZ-OE2 2.7Å
727	P	77.8	Confident	73.5	Confident	50 Å²	50	90.9 Å²	90.9	33%	0.325	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-68.5	136.4	174.1	29	-33.8	0	0	0	110.1	I737	P727-I737 HydrophobicContact CB-CG2 4.22Å; P727-I737 HydrophobicContact CG-CD1 4.39Å; P727-I737 HydrophobicContact CG-CG1 4.22Å; P727-I737 HydrophobicContact CG-CG2 3.87Å
728	S	69.4	Low	72.6	Confident	92 Å²	92	88.8 Å²	88.8	64%	0.643	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-59	142.3	175.7	-53.8	0	0	0	0	111	S730	S728-S730 PolarHBondContact O-N 2.86Å
729	P	62.2	Low	71.7	Confident	117 Å²	117	87 Å²	87	76%	0.76	46%	0.455	S	S	*	.			trans	-61.2	109.6	177.3	23	-31	0	0	0	109.8
730	S	53.5	Low	70.7	Confident	92 Å²	92	91.9 Å²	91.9	64%	0.643	47%	0.47	S	S	*	.			trans	-78.7	134.6	177.1	-175.9	0	0	0	0	110.3	S728 D732	S728-S730 PolarHBondContact O-N 2.86Å; S730-D732 PolarHBondContact O-N 2.77Å; S730-D732 PolarHBondContact OG-N 2.76Å
731	D	50.5	Low	69.8	Low	172 Å²	172	97.9 Å²	97.9	92%	0.92	51%	0.509	S	S	*	.	S	Bend	trans	-66.1	-12.2	172.4	-97.3	-27.1	0	0	0	112.9	R733	D731-R733 PolarHBondContact O-N 2.94Å
732	D	51.3	Low	69.2	Low	123 Å²	123	100.4 Å²	100.4	66%	0.658	52%	0.52	S	S	*	.	S	Bend	trans	-81.7	118.3	-179.8	-88.6	-27.3	0	0	0	111.5	S730 R734	S730-D732 PolarHBondContact O-N 2.77Å; S730-D732 PolarHBondContact OG-N 2.76Å; D732-R734 PolarHBondContact O-N 2.84Å
733	R	50	Low	68.6	Low	246 Å²	246	100 Å²	100	93%	0.928	52%	0.52	S	S	*	.	S	Bend	trans	-59.8	19.7	175	-66.3	-178.4	172.8	175.7	-2.7	115.8	D731	D731-R733 PolarHBondContact O-N 2.94Å
734	R	50.6	Low	68.4	Low	217 Å²	217	99.8 Å²	99.8	82%	0.819	52%	0.519	S	S	*	.			trans	-113.1	99	175.6	-68	-178	178.7	-179.6	0.9	106.9	D732 S736	D732-R734 PolarHBondContact O-N 2.84Å; R734-S736 PolarHBondContact O-N 3.05Å
735	D	54.3	Low	68.2	Low	164 Å²	164	104.2 Å²	104.2	88%	0.877	55%	0.546	S	S	*	.			trans	-61	40.8	-175.9	-64.6	-38.6	0	0	0	115.8
736	S	56	Low	68.2	Low	83 Å²	83	103.4 Å²	103.4	58%	0.58	55%	0.549	S	S	*	.			trans	-96.7	99.6	177.8	61.5	0	0	0	0	111.1	R734 Q738	R734-S736 PolarHBondContact O-N 3.05Å; S736-Q738 PolarHBondContact O-N 2.96Å
737	I	65.9	Low	68.4	Low	51 Å²	51	107.5 Å²	107.5	26%	0.262	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-66.8	116.7	168.2	-62.9	170	0	0	0	108.3	P727 Y762 L765 L769	P727-I737 HydrophobicContact CB-CG2 4.22Å; P727-I737 HydrophobicContact CG-CD1 4.39Å; P727-I737 HydrophobicContact CG-CG1 4.22Å; P727-I737 HydrophobicContact CG-CG2 3.87Å; I737-Y762 HydrophobicContact CB-CE2 4.17Å; I737-L765 HydrophobicContact CG2-CD2 4.36Å; I737-L769 HydrophobicContact CD1-CD1 3.98Å
738	Q	65.4	Low	68.6	Low	123 Å²	123	107.9 Å²	107.9	58%	0.575	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-90.1	123.3	173.2	-67.4	-177.1	11.4	0	0	109.7	S736 Y740	S736-Q738 PolarHBondContact O-N 2.96Å; Q738-Y740 HydrophobicContact CB-CE2 4.32Å; Q738-Y740 PolarHBondContact OE1-OH 2.88Å
739	L	70.3	Confident	69.2	Low	39 Å²	39	105.9 Å²	105.9	20%	0.204	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-81.2	120.2	173.8	-67.2	177.3	0	0	0	110.2	T743 Q758 Y762 L765	L739-T743 HydrophobicContact CD2-CG2 3.83Å; L739-Q758 HydrophobicContact CD1-CG 3.81Å; L739-Y762 HydrophobicContact CD1-CD2 4Å; L739-Y762 HydrophobicContact CD1-CG 4.37Å; L739-Y762 HydrophobicContact CD2-CD2 4.46Å; L739-Y762 HydrophobicContact CG-CD2 4.06Å; L739-L765 HydrophobicContact CD2-CD2 3.87Å
740	Y	71.8	Confident	69.9	Low	135 Å²	135	103.4 Å²	103.4	53%	0.529	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-97.7	160.5	171.1	-61.7	-71.8	0	0	0	110.7	Q738 D742 T743	Q738-Y740 HydrophobicContact CB-CE2 4.32Å; Q738-Y740 PolarHBondContact OE1-OH 2.88Å; Y740-D742 WeakPolarHBondContact CB-OD1 3.35Å; Y740-D742 PolarHBondContact O-N 3.44Å; Y740-D742 VanDerWaalsContact O-N 3.12Å; Y740-T743 WeakPolarHBondContact CA-OG1 3.4Å; Y740-T743 PolarHBondContact N-OG1 3.41Å; Y740-T743 WeakPolarHBondContact O-CB 2.87Å; Y740-T743 PolarHBondContact O-N 2.57Å; Y740-T743 PolarHBondContact O-OG1 2.73Å
741	P	71.1	Confident	70.9	Confident	131 Å²	131	107.1 Å²	107.1	85%	0.851	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24	179.7	-25.6	35.4	0	0	0	114.6
742	D	80	Confident	72.1	Confident	106 Å²	106	106.7 Å²	106.7	57%	0.567	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	0	179	59.3	-16.5	0	0	0	113.7	Y740 H744	Y740-D742 WeakPolarHBondContact CB-OD1 3.35Å; Y740-D742 PolarHBondContact O-N 3.44Å; Y740-D742 VanDerWaalsContact O-N 3.12Å; D742-H744 PolarHBondContact O-N 3.09Å
743	T	81.6	Confident	73.2	Confident	11 Å²	11	102.4 Å²	102.4	7%	0.067	52%	0.518	C	S	.	.	S	Bend	trans	-66.8	-19.9	-178.4	-51.6	0	0	0	0	113.4	F724 I725 L739 Y740 L765	F724-T743 WeakPolarHBondContact CA-O 3.48Å; I725-T743 PolarHBondContact N-O 2.75Å; L739-T743 HydrophobicContact CD2-CG2 3.83Å; Y740-T743 WeakPolarHBondContact CA-OG1 3.4Å; Y740-T743 PolarHBondContact N-OG1 3.41Å; Y740-T743 WeakPolarHBondContact O-CB 2.87Å; Y740-T743 PolarHBondContact O-N 2.57Å; Y740-T743 PolarHBondContact O-OG1 2.73Å; T743-L765 HydrophobicContact CG2-CD2 4.03Å
744	H	87.5	Confident	74.5	Confident	55 Å²	55	99.5 Å²	99.5	26%	0.255	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	152.2	175.5	76.5	-48	0	0	0	112.9	E723 F724 D742 I761	E723-H744 CarbonylContact O-C 3.49Å; E723-H744 WeakPolarHBondContact O-CA 3.1Å; E723-H744 WeakPolarHBondContact O-CB 3.37Å; F724-H744 HydrophobicContact CD1-CB 3.6Å; F724-H744 HydrophobicContact CE1-CB 3.83Å; F724-H744 HydrophobicContact CG-CB 4.25Å; D742-H744 PolarHBondContact O-N 3.09Å; H744-I761 WeakPolarHBondContact NE2-CD1 2.9Å
745	V	89.3	Confident	75.9	Confident	94 Å²	94	94 Å²	94	57%	0.57	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	131.4	173.8	180	0	0	0	0	107.8	R722 E723	R722-V745 CarbonylContact C-O 3.58Å; R722-V745 VanDerWaalsContact CA-O 3.32Å; R722-V745 WeakPolarHBondContact CA-O 3.41Å; E723-V745 PolarHBondContact N-O 3.35Å; E723-V745 PolarHBondContact O-N 3.33Å
746	A	88.6	Confident	77.3	Confident	51 Å²	51	88.2 Å²	88.2	42%	0.421	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.4	179.1	0	0	0	0	0	111.5	T721 R722	T721-A746 WeakPolarHBondContact O-CA 3.47Å; R722-A746 HydrophobicContact CB-CB 4.41Å; R722-A746 HydrophobicContact CG-CB 4.17Å
747	F	89.2	Confident	78.7	Confident	105 Å²	105	86.7 Å²	86.7	46%	0.461	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.1	169	174.8	-101.5	0	0	0	108.8	V718 C720 T721 V749	V718-F747 HydrophobicContact CG1-CE1 3.7Å; V718-F747 HydrophobicContact CG1-CZ 4.3Å; C720-F747 WeakPolarHBondContact CA-O 3.32Å; T721-F747 PolarHBondContact N-O 2.98Å; T721-F747 PolarHBondContact O-N 3.49Å; T721-F747 WeakPolarHBondContact OG1-CB 3.23Å; F747-V749 HydrophobicContact CE1-CG2 3.86Å
748	Q	83.1	Confident	79.5	Confident	59 Å²	59	90.6 Å²	90.6	28%	0.276	48%	0.477	S	S	.	.			trans	-118.5	124.7	-180	-162.5	156.3	19.9	0	0	109.5	S753	Q748-S753 WeakPolarHBondContact CG-OG 3.21Å; Q748-S753 PolarHBondContact NE2-OG 3.05Å; Q748-S753 PolarHBondContact OE1-OG 2.59Å; Q748-S753 VanDerWaalsContact OE1-OG 3.12Å
749	V	81.1	Confident	80.5	Confident	50 Å²	50	89.2 Å²	89.2	30%	0.303	48%	0.477	S	S	.	.	S	Bend	trans	-69	-38.8	-175.9	-179.9	0	0	0	0	111	V718 C720 F747 L751	V718-V749 WeakPolarHBondContact O-CG2 3.49Å; C720-V749 PolarHBondContact SG-N 3.07Å; F747-V749 HydrophobicContact CE1-CG2 3.86Å; V749-L751 PolarHBondContact O-N 3.42Å
750	N	77	Confident	81.3	Confident	65 Å²	65	91.8 Å²	91.8	35%	0.348	49%	0.489	S	S	.	.			trans	-88.1	101.9	177.6	-172.6	-4.7	0	0	0	111.1	L752 S753	N750-L752 PolarHBondContact O-N 2.78Å; N750-L752 VanDerWaalsContact O-N 3.09Å; N750-L752 PolarHBondContact OD1-N 3.01Å; N750-L752 VanDerWaalsContact OD1-N 3.09Å; N750-S753 WeakPolarHBondContact O-CB 3.45Å; N750-S753 PolarHBondContact O-N 3.45Å; N750-S753 VanDerWaalsContact O-N 3.17Å; N750-S753 PolarHBondContact O-OG 3.37Å
751	L	73.7	Confident	82	Confident	169 Å²	169	86.1 Å²	86.1	89%	0.885	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.8	179.1	-65.7	168.7	0	0	0	114.6	V749	V749-L751 PolarHBondContact O-N 3.42Å
752	L	75.7	Confident	82.8	Confident	163 Å²	163	83.4 Å²	83.4	85%	0.853	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-6.5	-178.8	-62.2	173.9	0	0	0	113.6	N750	N750-L752 PolarHBondContact O-N 2.78Å; N750-L752 VanDerWaalsContact O-N 3.09Å; N750-L752 PolarHBondContact OD1-N 3.01Å; N750-L752 VanDerWaalsContact OD1-N 3.09Å
753	S	74.8	Confident	83.2	Confident	34 Å²	34	82.1 Å²	82.1	24%	0.238	43%	0.434	C	S	.	.	S	Bend	trans	-68.1	139.9	179.1	56.4	0	0	0	0	110.7	Q748 N750	Q748-S753 WeakPolarHBondContact CG-OG 3.21Å; Q748-S753 PolarHBondContact NE2-OG 3.05Å; Q748-S753 PolarHBondContact OE1-OG 2.59Å; Q748-S753 VanDerWaalsContact OE1-OG 3.12Å; N750-S753 WeakPolarHBondContact O-CB 3.45Å; N750-S753 PolarHBondContact O-N 3.45Å; N750-S753 VanDerWaalsContact O-N 3.17Å; N750-S753 PolarHBondContact O-OG 3.37Å
754	K	76.6	Confident	83.7	Confident	184 Å²	184	83.3 Å²	83.3	80%	0.8	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-66.6	127.4	-179.8	-174	-175.8	175.7	-168.9	0	108.4	K756	K754-K756 PolarHBondContact O-N 2.99Å
755	P	79.9	Confident	83.8	Confident	102 Å²	102	80.7 Å²	80.7	66%	0.662	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-61.5	139.1	174.8	26.2	-33.5	0	0	0	109.4
756	K	83.7	Confident	83.7	Confident	42 Å²	42	79.3 Å²	79.3	18%	0.183	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-59.9	139	176	-63.6	-162.8	-177	178.9	0	109.6	E692 K754 E760 I761 M764	E692-K756 VanDerWaalsContact OE1-CE 3.29Å; E692-K756 WeakPolarHBondContact OE1-CE 3.25Å; E692-K756 IonicContact OE1-NZ 2.75Å; E692-K756 WeakPolarHBondContact OE2-CE 3.44Å; E692-K756 IonicContact OE2-NZ 2.75Å; E692-K756 PolarHBondContact OE2-NZ 3.35Å; K754-K756 PolarHBondContact O-N 2.99Å; K756-E760 WeakPolarHBondContact CA-OE2 3.22Å; K756-E760 HydrophobicContact CB-CB 4.2Å; K756-E760 WeakPolarHBondContact CB-OE2 3.29Å; K756-I761 HydrophobicContact CB-CG1 4.12Å; K756-I761 WeakPolarHBondContact O-CD1 3.36Å; K756-M764 HydrophobicContact CD-SD 3.7Å
757	S	86.1	Confident	83.9	Confident	51 Å²	51	81 Å²	81	36%	0.357	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-65.5	156.1	178.8	71.9	0	0	0	0	111	T759 E760 I761	S757-T759 PolarHBondContact O-N 3.44Å; S757-E760 PolarHBondContact N-OE2 2.92Å; S757-E760 WeakPolarHBondContact O-CB 3.44Å; S757-E760 PolarHBondContact O-N 3.27Å; S757-E760 VanDerWaalsContact OG-CG 3.26Å; S757-E760 WeakPolarHBondContact OG-CG 3.38Å; S757-E760 PolarHBondContact OG-N 3.23Å; S757-E760 PolarHBondContact OG-OE2 3.45Å; S757-I761 WeakPolarHBondContact O-CG1 3.49Å; S757-I761 PolarHBondContact O-N 3.43Å
758	Q	83.7	Confident	84.1	Confident	133 Å²	133	76.3 Å²	76.3	62%	0.621	40%	0.397	S	S	*	.	H	α-helix	trans	-58.6	-32.6	177.8	-169.7	171.4	1.4	0	0	112.1	L739 I761 Y762	L739-Q758 HydrophobicContact CD1-CG 3.81Å; Q758-I761 PolarHBondContact O-N 2.77Å; Q758-Y762 WeakPolarHBondContact O-CB 3.38Å; Q758-Y762 PolarHBondContact O-N 2.95Å
759	T	84.9	Confident	84.4	Confident	94 Å²	94	75.1 Å²	75.1	58%	0.577	39%	0.393	S	S	*	.	H	α-helix	trans	-67.4	-41.1	173.7	-47.5	0	0	0	0	112.3	S757 Y762 N763	S757-T759 PolarHBondContact O-N 3.44Å; T759-Y762 WeakPolarHBondContact O-CB 2.87Å; T759-Y762 PolarHBondContact O-N 3.41Å; T759-N763 WeakPolarHBondContact O-CB 3.26Å; T759-N763 VanDerWaalsContact O-CG 3.22Å; T759-N763 PolarHBondContact O-N 2.87Å; T759-N763 PolarHBondContact O-ND2 3.16Å
760	E	87.2	Confident	85	Confident	94 Å²	94	79 Å²	79	44%	0.439	41%	0.406	S	S	.	.	H	α-helix	trans	-64.4	-42.5	175.3	-74.1	161.9	-178.6	0	0	111	K756 S757 Y762 N763 M764	K756-E760 WeakPolarHBondContact CA-OE2 3.22Å; K756-E760 HydrophobicContact CB-CB 4.2Å; K756-E760 WeakPolarHBondContact CB-OE2 3.29Å; S757-E760 PolarHBondContact N-OE2 2.92Å; S757-E760 WeakPolarHBondContact O-CB 3.44Å; S757-E760 PolarHBondContact O-N 3.27Å; S757-E760 VanDerWaalsContact OG-CG 3.26Å; S757-E760 WeakPolarHBondContact OG-CG 3.38Å; S757-E760 PolarHBondContact OG-N 3.23Å; S757-E760 PolarHBondContact OG-OE2 3.45Å; E760-Y762 VanDerWaalsContact C-N 3.35Å; E760-N763 PolarHBondContact O-N 3.14Å; E760-M764 WeakPolarHBondContact O-CB 3.37Å; E760-M764 VanDerWaalsContact O-CG 3.27Å; E760-M764 WeakPolarHBondContact O-CG 3.21Å; E760-M764 PolarHBondContact O-N 3.46Å
761	I	87.7	Confident	85.8	Confident	16 Å²	16	79.2 Å²	79.2	8%	0.082	40%	0.404	C	S	.	.	H	α-helix	trans	-64.1	-41.5	176.8	-64.7	158.6	0	0	0	110.8	F724 H744 K756 S757 Q758 M764 L765	F724-I761 HydrophobicContact CE1-CG2 3.87Å; H744-I761 WeakPolarHBondContact NE2-CD1 2.9Å; K756-I761 HydrophobicContact CB-CG1 4.12Å; K756-I761 WeakPolarHBondContact O-CD1 3.36Å; S757-I761 WeakPolarHBondContact O-CG1 3.49Å; S757-I761 PolarHBondContact O-N 3.43Å; Q758-I761 PolarHBondContact O-N 2.77Å; I761-M764 PolarHBondContact O-N 3.4Å; I761-L765 PolarHBondContact O-N 3.11Å
762	Y	86.9	Confident	86.7	Confident	74 Å²	74	71.9 Å²	71.9	29%	0.29	37%	0.365	S	S	.	.	H	α-helix	trans	-59.9	-48.6	175.2	-178.7	-102.1	0	0	0	111.9	I737 L739 Q758 T759 E760 L765 I766	I737-Y762 HydrophobicContact CB-CE2 4.17Å; L739-Y762 HydrophobicContact CD1-CD2 4Å; L739-Y762 HydrophobicContact CD1-CG 4.37Å; L739-Y762 HydrophobicContact CD2-CD2 4.46Å; L739-Y762 HydrophobicContact CG-CD2 4.06Å; Q758-Y762 WeakPolarHBondContact O-CB 3.38Å; Q758-Y762 PolarHBondContact O-N 2.95Å; T759-Y762 WeakPolarHBondContact O-CB 2.87Å; T759-Y762 PolarHBondContact O-N 3.41Å; E760-Y762 VanDerWaalsContact C-N 3.35Å; Y762-L765 PolarHBondContact O-N 3.44Å; Y762-I766 HydrophobicContact CD1-CD1 3.87Å; Y762-I766 HydrophobicContact CE1-CD1 3.21Å; Y762-I766 HydrophobicContact CE1-CG1 4.29Å; Y762-I766 HydrophobicContact CE2-CD1 4.19Å; Y762-I766 VanDerWaalsContact CZ-CD1 3.41Å; Y762-I766 PolarHBondContact O-N 3.39Å
763	N	89	Confident	87.5	Confident	78 Å²	78	68.8 Å²	68.8	42%	0.417	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-44.8	178.2	-68.4	-14	0	0	0	111	T759 E760 L765 I766 D767	T759-N763 WeakPolarHBondContact O-CB 3.26Å; T759-N763 VanDerWaalsContact O-CG 3.22Å; T759-N763 PolarHBondContact O-N 2.87Å; T759-N763 PolarHBondContact O-ND2 3.16Å; E760-N763 PolarHBondContact O-N 3.14Å; N763-L765 VanDerWaalsContact C-N 3.31Å; N763-L765 PolarHBondContact O-N 2.96Å; N763-I766 PolarHBondContact O-N 3.47Å; N763-D767 WeakPolarHBondContact O-CB 3.31Å; N763-D767 PolarHBondContact O-N 3.46Å
764	M	91	Very high	88.4	Confident	36 Å²	36	70.6 Å²	70.6	18%	0.177	36%	0.357	C	S	.	.	H	α-helix	trans	-56.4	-44	174.1	-75	179.9	70.9	0	0	112	L708 R722 F724 K756 E760 I761 D767 L768	L708-M764 HydrophobicContact CD1-CE 4.42Å; R722-M764 PolarHBondContact NH1-SD 3.04Å; R722-M764 VanDerWaalsContact NH1-SD 3.38Å; F724-M764 HydrophobicContact CZ-CB 4.24Å; F724-M764 HydrophobicContact CZ-CE 4.44Å; K756-M764 HydrophobicContact CD-SD 3.7Å; E760-M764 WeakPolarHBondContact O-CB 3.37Å; E760-M764 VanDerWaalsContact O-CG 3.27Å; E760-M764 WeakPolarHBondContact O-CG 3.21Å; E760-M764 PolarHBondContact O-N 3.46Å; I761-M764 PolarHBondContact O-N 3.4Å; M764-D767 PolarHBondContact O-N 3.35Å; M764-L768 WeakPolarHBondContact O-CB 3.35Å; M764-L768 WeakPolarHBondContact O-CD1 3.41Å; M764-L768 WeakPolarHBondContact O-CG 3.46Å; M764-L768 PolarHBondContact O-N 2.7Å
765	L	89.5	Confident	89.2	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-42.7	179	178.7	61.4	0	0	0	111.6	F724 I737 L739 T743 I761 Y762 N763 L768 L769	F724-L765 HydrophobicContact CB-CD1 4.1Å; F724-L765 HydrophobicContact CD1-CB 4.27Å; F724-L765 HydrophobicContact CD1-CD1 3.89Å; F724-L765 HydrophobicContact CE1-CB 4.16Å; F724-L765 HydrophobicContact CG-CD1 4.16Å; I737-L765 HydrophobicContact CG2-CD2 4.36Å; L739-L765 HydrophobicContact CD2-CD2 3.87Å; T743-L765 HydrophobicContact CG2-CD2 4.03Å; I761-L765 PolarHBondContact O-N 3.11Å; Y762-L765 PolarHBondContact O-N 3.44Å; N763-L765 VanDerWaalsContact C-N 3.31Å; N763-L765 PolarHBondContact O-N 2.96Å; L765-L768 PolarHBondContact O-N 3.41Å; L765-L769 HydrophobicContact CD1-CD1 4.35Å; L765-L769 HydrophobicContact CD1-CG 4.23Å; L765-L769 HydrophobicContact CG-CD1 4.18Å; L765-L769 HydrophobicContact CG-CG 4.49Å; L765-L769 WeakPolarHBondContact O-CB 3.27Å; L765-L769 VanDerWaalsContact O-CG 3.25Å; L765-L769 WeakPolarHBondContact O-CG 3.4Å; L765-L769 PolarHBondContact O-N 3.05Å
766	I	88.8	Confident	89.8	Confident	65 Å²	65	58.9 Å²	58.9	33%	0.333	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-45.5	175.9	-71.1	-178.7	0	0	0	110.9	Y762 N763 L768 L769 K770	Y762-I766 HydrophobicContact CD1-CD1 3.87Å; Y762-I766 HydrophobicContact CE1-CD1 3.21Å; Y762-I766 HydrophobicContact CE1-CG1 4.29Å; Y762-I766 HydrophobicContact CE2-CD1 4.19Å; Y762-I766 VanDerWaalsContact CZ-CD1 3.41Å; Y762-I766 PolarHBondContact O-N 3.39Å; N763-I766 PolarHBondContact O-N 3.47Å; I766-L768 VanDerWaalsContact C-N 3.34Å; I766-L768 PolarHBondContact O-N 2.83Å; I766-L769 PolarHBondContact O-N 3.45Å; I766-K770 WeakPolarHBondContact O-CB 3.45Å; I766-K770 PolarHBondContact O-N 2.91Å
767	D	91.6	Very high	90.3	Very high	87 Å²	87	61.6 Å²	61.6	47%	0.465	31%	0.311	S	S	.	.	H	α-helix	trans	-62.4	-42.7	178.9	-67.3	-25.3	0	0	0	110.5	N763 M764 K770 E771	N763-D767 WeakPolarHBondContact O-CB 3.31Å; N763-D767 PolarHBondContact O-N 3.46Å; M764-D767 PolarHBondContact O-N 3.35Å; D767-K770 WeakPolarHBondContact O-CB 3.25Å; D767-K770 PolarHBondContact O-N 3.3Å; D767-E771 WeakPolarHBondContact O-CB 3.3Å; D767-E771 WeakPolarHBondContact O-CG 3.49Å; D767-E771 PolarHBondContact O-N 2.95Å
768	L	93.1	Very high	90.6	Very high	6 Å²	6	61.5 Å²	61.5	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-37.3	176.1	-71.2	167.5	0	0	0	113.4	I706 L708 F724 M764 L765 I766 K770 E771 E772	I706-L768 HydrophobicContact CD1-CB 3.99Å; I706-L768 HydrophobicContact CG2-CD1 4.43Å; I706-L768 HydrophobicContact CG2-CD2 4.44Å; L708-L768 HydrophobicContact CD1-CD1 3.87Å; L708-L768 HydrophobicContact CD1-CD2 4.27Å; L708-L768 HydrophobicContact CD2-CD2 3.86Å; F724-L768 HydrophobicContact CD2-CD1 3.63Å; F724-L768 HydrophobicContact CE2-CD1 3.39Å; F724-L768 HydrophobicContact CG-CD1 4.49Å; F724-L768 HydrophobicContact CZ-CD1 4.09Å; M764-L768 WeakPolarHBondContact O-CB 3.35Å; M764-L768 WeakPolarHBondContact O-CD1 3.41Å; M764-L768 WeakPolarHBondContact O-CG 3.46Å; M764-L768 PolarHBondContact O-N 2.7Å; L765-L768 PolarHBondContact O-N 3.41Å; I766-L768 VanDerWaalsContact C-N 3.34Å; I766-L768 PolarHBondContact O-N 2.83Å; L768-K770 VanDerWaalsContact C-N 3.28Å; L768-E771 PolarHBondContact O-N 3.47Å; L768-E772 VanDerWaalsContact O-CB 3.29Å; L768-E772 WeakPolarHBondContact O-CB 3.44Å; L768-E772 PolarHBondContact O-N 3.35Å
769	L	91.1	Very high	91.1	Very high	34 Å²	34	55.1 Å²	55.1	18%	0.178	28%	0.279	C	S	.	.	H	α-helix	trans	-66.7	-34.4	174	-74	172.9	0	0	0	111.1	I706 K726 I737 L765 I766 N773	I706-L769 HydrophobicContact CD1-CD2 4.42Å; K726-L769 HydrophobicContact CD-CD2 4.25Å; K726-L769 HydrophobicContact CG-CD2 4.09Å; I737-L769 HydrophobicContact CD1-CD1 3.98Å; L765-L769 HydrophobicContact CD1-CD1 4.35Å; L765-L769 HydrophobicContact CD1-CG 4.23Å; L765-L769 HydrophobicContact CG-CD1 4.18Å; L765-L769 HydrophobicContact CG-CG 4.49Å; L765-L769 WeakPolarHBondContact O-CB 3.27Å; L765-L769 VanDerWaalsContact O-CG 3.25Å; L765-L769 WeakPolarHBondContact O-CG 3.4Å; L765-L769 PolarHBondContact O-N 3.05Å; I766-L769 PolarHBondContact O-N 3.45Å; L769-N773 PolarHBondContact O-N 3.47Å; L769-N773 PolarHBondContact O-ND2 3.01Å
770	K	92.6	Very high	91.4	Very high	132 Å²	132	54.7 Å²	54.7	57%	0.574	27%	0.267	S	S	*	.	H	α-helix	trans	-68.9	-49.5	172.8	-173.7	-173.5	172.1	-166	0	110.9	I766 D767 L768 E772 N773 D774	I766-K770 WeakPolarHBondContact O-CB 3.45Å; I766-K770 PolarHBondContact O-N 2.91Å; D767-K770 WeakPolarHBondContact O-CB 3.25Å; D767-K770 PolarHBondContact O-N 3.3Å; L768-K770 VanDerWaalsContact C-N 3.28Å; K770-E772 VanDerWaalsContact C-N 3.28Å; K770-E772 PolarHBondContact O-N 3.25Å; K770-N773 WeakPolarHBondContact O-CB 3.31Å; K770-N773 PolarHBondContact O-N 2.98Å; K770-N773 VanDerWaalsContact O-N 3.13Å; K770-D774 VanDerWaalsContact O-CG 3.26Å; K770-D774 PolarHBondContact O-N 3.24Å
771	E	93.3	Very high	91.6	Very high	68 Å²	68	55.9 Å²	55.9	32%	0.318	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-38.4	175.8	-74.9	179.4	-155.6	0	0	112.1	K697 F699 D767 L768 D774 S775	K697-E771 IonicContact NZ-OE2 2.68Å; K697-E771 PolarHBondContact NZ-OE2 2.85Å; F699-E771 HydrophobicContact CZ-CB 4.24Å; D767-E771 WeakPolarHBondContact O-CB 3.3Å; D767-E771 WeakPolarHBondContact O-CG 3.49Å; D767-E771 PolarHBondContact O-N 2.95Å; L768-E771 PolarHBondContact O-N 3.47Å; E771-D774 PolarHBondContact O-N 3.01Å; E771-S775 WeakPolarHBondContact O-CB 3.49Å; E771-S775 PolarHBondContact O-N 2.6Å; E771-S775 PolarHBondContact O-OG 3.33Å
772	E	93.4	Very high	91.9	Very high	15 Å²	15	55.6 Å²	55.6	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-47.1	174.7	177.3	173.6	120.8	0	0	111.4	F699 K726 L768 K770 D774 S775 I776	F699-E772 HydrophobicContact CB-CG 4.26Å; F699-E772 HydrophobicContact CD1-CB 3.64Å; F699-E772 HydrophobicContact CD1-CG 3.9Å; F699-E772 WeakPolarHBondContact CD1-OE2 3.36Å; F699-E772 HydrophobicContact CE1-CB 3.75Å; F699-E772 HydrophobicContact CG-CB 4.25Å; F699-E772 HydrophobicContact CG-CG 4.15Å; F699-E772 HydrophobicContact CZ-CB 4.43Å; K726-E772 WeakPolarHBondContact CE-OE1 3.27Å; K726-E772 WeakPolarHBondContact CE-OE2 3.49Å; K726-E772 IonicContact NZ-OE1 3.69Å; K726-E772 PolarHBondContact NZ-OE1 3.25Å; K726-E772 IonicContact NZ-OE2 2.7Å; K726-E772 PolarHBondContact NZ-OE2 2.7Å; L768-E772 VanDerWaalsContact O-CB 3.29Å; L768-E772 WeakPolarHBondContact O-CB 3.44Å; L768-E772 PolarHBondContact O-N 3.35Å; K770-E772 VanDerWaalsContact C-N 3.28Å; K770-E772 PolarHBondContact O-N 3.25Å; E772-D774 VanDerWaalsContact C-N 3.31Å; E772-D774 PolarHBondContact O-N 3.19Å; E772-S775 PolarHBondContact O-N 3.24Å; E772-I776 HydrophobicContact CG-CD1 3.84Å; E772-I776 HydrophobicContact CG-CG1 4.44Å; E772-I776 WeakPolarHBondContact O-CB 3.45Å; E772-I776 VanDerWaalsContact O-CG1 3.25Å; E772-I776 WeakPolarHBondContact O-CG1 3.32Å; E772-I776 PolarHBondContact O-N 3.07Å
773	N	92.5	Very high	92	Very high	98 Å²	98	53 Å²	53	52%	0.524	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-40.5	176.3	-75.3	-55.3	0	0	0	111.2	L769 K770 I776 E777	L769-N773 PolarHBondContact O-N 3.47Å; L769-N773 PolarHBondContact O-ND2 3.01Å; K770-N773 WeakPolarHBondContact O-CB 3.31Å; K770-N773 PolarHBondContact O-N 2.98Å; K770-N773 VanDerWaalsContact O-N 3.13Å; N773-I776 PolarHBondContact O-N 3.48Å; N773-E777 WeakPolarHBondContact O-CB 3.44Å; N773-E777 PolarHBondContact O-N 3.27Å
774	D	94.4	Very high	92.1	Very high	73 Å²	73	55.7 Å²	55.7	39%	0.39	27%	0.271	S	S	.	.	H	α-helix	trans	-64.3	-41.6	176.6	-65.4	-20.4	0	0	0	111.3	K770 E771 E772 E777 T778	K770-D774 VanDerWaalsContact O-CG 3.26Å; K770-D774 PolarHBondContact O-N 3.24Å; E771-D774 PolarHBondContact O-N 3.01Å; E772-D774 VanDerWaalsContact C-N 3.31Å; E772-D774 PolarHBondContact O-N 3.19Å; D774-E777 PolarHBondContact O-N 3.39Å; D774-T778 WeakPolarHBondContact O-CB 3.31Å; D774-T778 PolarHBondContact O-N 3.03Å; D774-T778 PolarHBondContact O-OG1 2.67Å
775	S	93.7	Very high	92.1	Very high	9 Å²	9	56.1 Å²	56.1	6%	0.063	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-42.6	175	-72	0	0	0	0	111.5	E680 E771 E772 T778 V779	E680-S775 PolarHBondContact OE1-OG 3.28Å; E680-S775 PolarHBondContact OE2-OG 3.04Å; E771-S775 WeakPolarHBondContact O-CB 3.49Å; E771-S775 PolarHBondContact O-N 2.6Å; E771-S775 PolarHBondContact O-OG 3.33Å; E772-S775 PolarHBondContact O-N 3.24Å; S775-T778 PolarHBondContact O-N 2.96Å; S775-V779 VanDerWaalsContact O-CG2 3.31Å; S775-V779 WeakPolarHBondContact O-CG2 3.42Å; S775-V779 PolarHBondContact O-N 2.8Å
776	I	92.5	Very high	92.2	Very high	30 Å²	30	56.1 Å²	56.1	15%	0.154	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-47.2	174.4	-73.4	169.5	0	0	0	110.6	I675 I678 V701 E772 N773 T778 V779 Y780	I675-I776 HydrophobicContact CD1-CG2 4.13Å; I678-I776 HydrophobicContact CD1-CG1 3.86Å; V701-I776 HydrophobicContact CG2-CD1 4.06Å; E772-I776 HydrophobicContact CG-CD1 3.84Å; E772-I776 HydrophobicContact CG-CG1 4.44Å; E772-I776 WeakPolarHBondContact O-CB 3.45Å; E772-I776 VanDerWaalsContact O-CG1 3.25Å; E772-I776 WeakPolarHBondContact O-CG1 3.32Å; E772-I776 PolarHBondContact O-N 3.07Å; N773-I776 PolarHBondContact O-N 3.48Å; I776-T778 VanDerWaalsContact C-N 3.3Å; I776-T778 PolarHBondContact O-N 3.47Å; I776-V779 PolarHBondContact O-N 3.37Å; I776-Y780 HydrophobicContact CG2-CD2 3.76Å; I776-Y780 HydrophobicContact CG2-CE2 3.46Å; I776-Y780 VanDerWaalsContact CG2-CE2 3.46Å; I776-Y780 WeakPolarHBondContact O-CD2 3.34Å; I776-Y780 PolarHBondContact O-N 2.86Å
777	E	93.3	Very high	92.2	Very high	100 Å²	100	58.2 Å²	58.2	47%	0.467	28%	0.277	S	S	.	.	H	α-helix	trans	-61.5	-41.1	176.9	-167.2	-170.4	147.3	0	0	111	N773 D774 Y780 K781	N773-E777 WeakPolarHBondContact O-CB 3.44Å; N773-E777 PolarHBondContact O-N 3.27Å; D774-E777 PolarHBondContact O-N 3.39Å; E777-Y780 PolarHBondContact O-N 3.19Å; E777-K781 WeakPolarHBondContact O-CG 3.21Å; E777-K781 PolarHBondContact O-N 3.16Å; E777-K781 WeakPolarHBondContact OE1-CE 3.31Å; E777-K781 IonicContact OE1-NZ 3.55Å; E777-K781 PolarHBondContact OE1-NZ 2.97Å
778	T	93.1	Very high	92.2	Very high	48 Å²	48	57.1 Å²	57.1	29%	0.294	28%	0.276	S	S	.	.	H	α-helix	trans	-63.4	-42.8	176.2	-57.8	0	0	0	0	111.7	D774 S775 I776 Y780 K781 S782	D774-T778 WeakPolarHBondContact O-CB 3.31Å; D774-T778 PolarHBondContact O-N 3.03Å; D774-T778 PolarHBondContact O-OG1 2.67Å; S775-T778 PolarHBondContact O-N 2.96Å; I776-T778 VanDerWaalsContact C-N 3.3Å; I776-T778 PolarHBondContact O-N 3.47Å; T778-Y780 VanDerWaalsContact C-N 3.34Å; T778-Y780 PolarHBondContact O-N 3.38Å; T778-K781 CarbonylContact O-C 3.53Å; T778-K781 WeakPolarHBondContact O-CB 3.36Å; T778-K781 PolarHBondContact O-N 3.45Å; T778-K781 VanDerWaalsContact O-N 3.15Å; T778-S782 PolarHBondContact O-N 2.97Å; T778-S782 PolarHBondContact O-OG 3.02Å
779	V	93	Very high	92.2	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-41.9	175.5	168.4	0	0	0	0	111.1	M626 V642 F644 I675 I678 S775 I776 K781 S782 I783	M626-V779 HydrophobicContact CE-CG1 4.1Å; V642-V779 HydrophobicContact CG1-CG1 3.88Å; V642-V779 HydrophobicContact CG2-CB 4.5Å; V642-V779 HydrophobicContact CG2-CG1 4.04Å; V642-V779 HydrophobicContact CG2-CG2 3.57Å; F644-V779 HydrophobicContact CE1-CG1 4.46Å; I675-V779 HydrophobicContact CD1-CB 4.06Å; I675-V779 HydrophobicContact CD1-CG1 3.62Å; I675-V779 HydrophobicContact CG1-CG1 4.19Å; I678-V779 HydrophobicContact CD1-CG2 4.02Å; I678-V779 HydrophobicContact CG1-CG2 4.49Å; S775-V779 VanDerWaalsContact O-CG2 3.31Å; S775-V779 WeakPolarHBondContact O-CG2 3.42Å; S775-V779 PolarHBondContact O-N 2.8Å; I776-V779 PolarHBondContact O-N 3.37Å; V779-K781 VanDerWaalsContact C-N 3.32Å; V779-K781 PolarHBondContact O-N 2.74Å; V779-S782 WeakPolarHBondContact O-CB 3.33Å; V779-S782 PolarHBondContact O-N 3.07Å; V779-I783 HydrophobicContact CG1-CD1 4.01Å; V779-I783 VanDerWaalsContact O-CG1 3.31Å; V779-I783 WeakPolarHBondContact O-CG1 3.29Å; V779-I783 PolarHBondContact O-N 3.28Å
780	Y	91.7	Very high	92.2	Very high	84 Å²	84	56.6 Å²	56.6	33%	0.329	27%	0.273	S	S	.	.	H	α-helix	trans	-64.7	-36.1	174.2	-75.7	-57.8	0	0	0	112.6	I675 I776 E777 T778 I783 H784	I675-Y780 HydrophobicContact CD1-CD2 4.39Å; I675-Y780 HydrophobicContact CD1-CE1 4.3Å; I675-Y780 HydrophobicContact CD1-CE2 3.96Å; I776-Y780 HydrophobicContact CG2-CD2 3.76Å; I776-Y780 HydrophobicContact CG2-CE2 3.46Å; I776-Y780 VanDerWaalsContact CG2-CE2 3.46Å; I776-Y780 WeakPolarHBondContact O-CD2 3.34Å; I776-Y780 PolarHBondContact O-N 2.86Å; E777-Y780 PolarHBondContact O-N 3.19Å; T778-Y780 VanDerWaalsContact C-N 3.34Å; T778-Y780 PolarHBondContact O-N 3.38Å; Y780-I783 HydrophobicContact CD1-CD1 4.28Å; Y780-I783 PolarHBondContact O-N 2.84Å; Y780-H784 WeakPolarHBondContact O-CB 3.29Å; Y780-H784 PolarHBondContact O-N 2.85Å
781	K	92.4	Very high	92.1	Very high	119 Å²	119	54.5 Å²	54.5	52%	0.517	27%	0.268	S	S	.	.	H	α-helix	trans	-62.4	-44.9	170.8	-71.8	169.4	-176.2	162.2	0	111.3	E777 T778 V779 I783 H784 E785	E777-K781 WeakPolarHBondContact O-CG 3.21Å; E777-K781 PolarHBondContact O-N 3.16Å; E777-K781 WeakPolarHBondContact OE1-CE 3.31Å; E777-K781 IonicContact OE1-NZ 3.55Å; E777-K781 PolarHBondContact OE1-NZ 2.97Å; T778-K781 CarbonylContact O-C 3.53Å; T778-K781 WeakPolarHBondContact O-CB 3.36Å; T778-K781 PolarHBondContact O-N 3.45Å; T778-K781 VanDerWaalsContact O-N 3.15Å; V779-K781 VanDerWaalsContact C-N 3.32Å; V779-K781 PolarHBondContact O-N 2.74Å; K781-I783 PolarHBondContact O-N 3.4Å; K781-H784 PolarHBondContact O-N 2.94Å; K781-E785 WeakPolarHBondContact O-CB 3.5Å; K781-E785 PolarHBondContact O-N 3.21Å
782	S	92.3	Very high	92	Very high	10 Å²	10	53.1 Å²	53.1	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-59.7	-43.6	174.8	-66.5	0	0	0	0	112.1	R619 E628 T778 V779 E785 I786	R619-S782 PolarHBondContact NH2-OG 2.95Å; E628-S782 WeakPolarHBondContact OE1-CB 3.26Å; E628-S782 PolarHBondContact OE1-OG 3.05Å; T778-S782 PolarHBondContact O-N 2.97Å; T778-S782 PolarHBondContact O-OG 3.02Å; V779-S782 WeakPolarHBondContact O-CB 3.33Å; V779-S782 PolarHBondContact O-N 3.07Å; S782-E785 WeakPolarHBondContact O-CB 3.16Å; S782-E785 PolarHBondContact O-N 3.04Å; S782-I786 WeakPolarHBondContact O-CG1 3.4Å; S782-I786 PolarHBondContact O-N 3.07Å
783	I	89.8	Confident	91.9	Very high	21 Å²	21	52.8 Å²	52.8	11%	0.108	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-45	176.3	-67.9	165.3	0	0	0	110.6	V599 M626 F644 V779 Y780 K781 E785 I786 Y787	V599-I783 HydrophobicContact CG1-CG2 4.42Å; M626-I783 HydrophobicContact CE-CG1 4.49Å; M626-I783 HydrophobicContact SD-CG1 4.45Å; F644-I783 HydrophobicContact CE1-CD1 3.64Å; F644-I783 HydrophobicContact CZ-CD1 3.74Å; F644-I783 HydrophobicContact CZ-CG1 4.25Å; V779-I783 HydrophobicContact CG1-CD1 4.01Å; V779-I783 VanDerWaalsContact O-CG1 3.31Å; V779-I783 WeakPolarHBondContact O-CG1 3.29Å; V779-I783 PolarHBondContact O-N 3.28Å; Y780-I783 HydrophobicContact CD1-CD1 4.28Å; Y780-I783 PolarHBondContact O-N 2.84Å; K781-I783 PolarHBondContact O-N 3.4Å; I783-E785 VanDerWaalsContact C-N 3.31Å; I783-E785 PolarHBondContact O-N 3.09Å; I783-I786 WeakPolarHBondContact O-CB 3.39Å; I783-I786 PolarHBondContact O-N 3.48Å; I783-Y787 HydrophobicContact CG2-CD2 3.95Å; I783-Y787 HydrophobicContact CG2-CE2 3.73Å; I783-Y787 VanDerWaalsContact O-CD2 3.27Å; I783-Y787 WeakPolarHBondContact O-CD2 3.41Å; I783-Y787 PolarHBondContact O-N 3.04Å; I783-Y787 VanDerWaalsContact O-N 3.07Å
784	H	90.6	Very high	91.8	Very high	134 Å²	134	51.2 Å²	51.2	62%	0.62	25%	0.254	S	S	*	.	H	α-helix	trans	-63.2	-38	177.3	-173	65.9	0	0	0	112.1	Y780 K781 Y787 S788	Y780-H784 WeakPolarHBondContact O-CB 3.29Å; Y780-H784 PolarHBondContact O-N 2.85Å; K781-H784 PolarHBondContact O-N 2.94Å; H784-Y787 WeakPolarHBondContact O-CB 3.23Å; H784-Y787 PolarHBondContact O-N 3.49Å; H784-S788 PolarHBondContact O-N 3.14Å
785	E	92	Very high	91.6	Very high	45 Å²	45	51.5 Å²	51.5	21%	0.21	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-44.1	172.7	-173.4	-168.9	-158.6	0	0	111.2	R612 R619 K781 S782 I783 Y787 S788 I789	R612-E785 IonicContact CZ-OE1 3.64Å; R612-E785 VanDerWaalsContact CZ-OE1 3.27Å; R612-E785 IonicContact NH1-OE1 2.78Å; R612-E785 PolarHBondContact NH1-OE1 3.21Å; R612-E785 IonicContact NH2-OE1 3.51Å; R612-E785 PolarHBondContact NH2-OE1 2.68Å; R612-E785 IonicContact NH2-OE2 3.29Å; R619-E785 IonicContact CZ-OE2 3.64Å; R619-E785 VanDerWaalsContact CZ-OE2 3.31Å; R619-E785 IonicContact NH1-OE2 2.67Å; R619-E785 PolarHBondContact NH1-OE2 3.35Å; R619-E785 IonicContact NH2-OE2 2.72Å; R619-E785 PolarHBondContact NH2-OE2 2.78Å; K781-E785 WeakPolarHBondContact O-CB 3.5Å; K781-E785 PolarHBondContact O-N 3.21Å; S782-E785 WeakPolarHBondContact O-CB 3.16Å; S782-E785 PolarHBondContact O-N 3.04Å; I783-E785 VanDerWaalsContact C-N 3.31Å; I783-E785 PolarHBondContact O-N 3.09Å; E785-Y787 VanDerWaalsContact C-N 3.34Å; E785-Y787 PolarHBondContact O-N 2.83Å; E785-S788 WeakPolarHBondContact O-CB 3.31Å; E785-S788 PolarHBondContact O-N 2.88Å; E785-S788 VanDerWaalsContact O-N 3.12Å; E785-I789 HydrophobicContact CG-CD1 3.91Å; E785-I789 HydrophobicContact CG-CG1 4.4Å; E785-I789 VanDerWaalsContact O-CG1 3.3Å; E785-I789 WeakPolarHBondContact O-CG1 3.45Å; E785-I789 PolarHBondContact O-N 3.06Å
786	I	91.3	Very high	91.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-46.9	174.4	-63	164.6	0	0	0	110.5	V599 M605 M626 S782 I783 S788 I789 L790	V599-I786 HydrophobicContact CG1-CG2 4.22Å; V599-I786 HydrophobicContact CG2-CG2 4.39Å; M605-I786 HydrophobicContact CE-CG2 4.21Å; M626-I786 HydrophobicContact SD-CD1 3.67Å; S782-I786 WeakPolarHBondContact O-CG1 3.4Å; S782-I786 PolarHBondContact O-N 3.07Å; I783-I786 WeakPolarHBondContact O-CB 3.39Å; I783-I786 PolarHBondContact O-N 3.48Å; I786-S788 VanDerWaalsContact C-N 3.29Å; I786-S788 PolarHBondContact O-N 3.39Å; I786-I789 PolarHBondContact O-N 2.96Å; I786-L790 HydrophobicContact CG2-CD1 3.84Å; I786-L790 HydrophobicContact CG2-CG 4.17Å; I786-L790 WeakPolarHBondContact O-CB 3.46Å; I786-L790 VanDerWaalsContact O-CG 3.26Å; I786-L790 WeakPolarHBondContact O-CG 3.42Å; I786-L790 PolarHBondContact O-N 3.23Å
787	Y	88.9	Confident	91.3	Very high	110 Å²	110	54.1 Å²	54.1	43%	0.431	27%	0.267	S	S	.	.	H	α-helix	trans	-57	-44.5	174.9	-84.2	-78	0	0	0	111.7	V599 I783 H784 E785 L790 N791	V599-Y787 HydrophobicContact CB-CE1 4.14Å; V599-Y787 HydrophobicContact CB-CE2 3.97Å; V599-Y787 HydrophobicContact CG1-CE2 4Å; V599-Y787 HydrophobicContact CG2-CD1 3.43Å; V599-Y787 VanDerWaalsContact CG2-CD1 3.43Å; V599-Y787 HydrophobicContact CG2-CD2 3.73Å; V599-Y787 HydrophobicContact CG2-CE1 3.18Å; V599-Y787 HydrophobicContact CG2-CE2 3.49Å; V599-Y787 VanDerWaalsContact CG2-CE2 3.49Å; V599-Y787 HydrophobicContact CG2-CG 3.68Å; I783-Y787 HydrophobicContact CG2-CD2 3.95Å; I783-Y787 HydrophobicContact CG2-CE2 3.73Å; I783-Y787 VanDerWaalsContact O-CD2 3.27Å; I783-Y787 WeakPolarHBondContact O-CD2 3.41Å; I783-Y787 PolarHBondContact O-N 3.04Å; I783-Y787 VanDerWaalsContact O-N 3.07Å; H784-Y787 WeakPolarHBondContact O-CB 3.23Å; H784-Y787 PolarHBondContact O-N 3.49Å; E785-Y787 VanDerWaalsContact C-N 3.34Å; E785-Y787 PolarHBondContact O-N 2.83Å; Y787-L790 PolarHBondContact O-N 3.4Å; Y787-N791 VanDerWaalsContact O-CB 3.26Å; Y787-N791 WeakPolarHBondContact O-CB 3.33Å; Y787-N791 PolarHBondContact O-N 3.41Å
788	S	91.5	Very high	91.1	Very high	64 Å²	64	54.6 Å²	54.6	45%	0.448	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-46.9	178.2	-170.2	0	0	0	0	111.6	H784 E785 I786 N791 E792	H784-S788 PolarHBondContact O-N 3.14Å; E785-S788 WeakPolarHBondContact O-CB 3.31Å; E785-S788 PolarHBondContact O-N 2.88Å; E785-S788 VanDerWaalsContact O-N 3.12Å; I786-S788 VanDerWaalsContact C-N 3.29Å; I786-S788 PolarHBondContact O-N 3.39Å; S788-N791 PolarHBondContact O-N 2.76Å; S788-E792 VanDerWaalsContact O-CB 3.28Å; S788-E792 WeakPolarHBondContact O-CB 3.49Å; S788-E792 PolarHBondContact O-N 2.95Å
789	I	92.3	Very high	90.9	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-46	178.2	-68	167.2	0	0	0	110.6	L587 M605 F607 E785 I786 E792 R793	L587-I789 HydrophobicContact CD2-CG2 3.9Å; M605-I789 HydrophobicContact CE-CG2 4.02Å; M605-I789 HydrophobicContact SD-CD1 4.2Å; M605-I789 HydrophobicContact SD-CG2 4.27Å; F607-I789 HydrophobicContact CE1-CD1 3.79Å; F607-I789 HydrophobicContact CZ-CD1 3.95Å; E785-I789 HydrophobicContact CG-CD1 3.91Å; E785-I789 HydrophobicContact CG-CG1 4.4Å; E785-I789 VanDerWaalsContact O-CG1 3.3Å; E785-I789 WeakPolarHBondContact O-CG1 3.45Å; E785-I789 PolarHBondContact O-N 3.06Å; I786-I789 PolarHBondContact O-N 2.96Å; I789-E792 PolarHBondContact O-N 3.41Å; I789-R793 HydrophobicContact CG2-CG 4.49Å; I789-R793 WeakPolarHBondContact O-CG 3.41Å; I789-R793 PolarHBondContact O-N 2.86Å
790	L	91.4	Very high	90.7	Very high	25 Å²	25	60.8 Å²	60.8	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-67.4	-38	-179.7	-66.4	179.5	0	0	0	112.1	V599 M605 I786 Y787 T794	V599-L790 HydrophobicContact CG2-CD1 4.11Å; M605-L790 HydrophobicContact CE-CD2 3.81Å; M605-L790 HydrophobicContact CE-CG 4.24Å; I786-L790 HydrophobicContact CG2-CD1 3.84Å; I786-L790 HydrophobicContact CG2-CG 4.17Å; I786-L790 WeakPolarHBondContact O-CB 3.46Å; I786-L790 VanDerWaalsContact O-CG 3.26Å; I786-L790 WeakPolarHBondContact O-CG 3.42Å; I786-L790 PolarHBondContact O-N 3.23Å; Y787-L790 PolarHBondContact O-N 3.4Å; L790-T794 WeakPolarHBondContact O-CB 3.26Å; L790-T794 PolarHBondContact O-N 3.21Å; L790-T794 PolarHBondContact O-OG1 3.14Å
791	N	90.7	Very high	90.5	Very high	88 Å²	88	61.4 Å²	61.4	47%	0.471	31%	0.309	S	S	.	.	H	α-helix	trans	-66.3	-43.2	174.1	-174.2	48	0	0	0	111.3	Y787 S788 T794 I795	Y787-N791 VanDerWaalsContact O-CB 3.26Å; Y787-N791 WeakPolarHBondContact O-CB 3.33Å; Y787-N791 PolarHBondContact O-N 3.41Å; S788-N791 PolarHBondContact O-N 2.76Å; N791-T794 WeakPolarHBondContact O-CB 3.42Å; N791-T794 PolarHBondContact O-N 3.17Å; N791-I795 VanDerWaalsContact O-CG1 3.28Å; N791-I795 WeakPolarHBondContact O-CG1 3.37Å; N791-I795 PolarHBondContact O-N 3.33Å
792	E	91	Very high	90.3	Very high	38 Å²	38	57.4 Å²	57.4	18%	0.178	29%	0.293	C	S	.	.	H	α-helix	trans	-57	-51.2	173	-179.3	177.9	-160.2	0	0	110.9	T584 S788 I789 T794 I795 E796	T584-E792 WeakPolarHBondContact CB-OE1 3.24Å; T584-E792 VanDerWaalsContact OG1-CD 3.26Å; T584-E792 PolarHBondContact OG1-OE1 2.9Å; T584-E792 PolarHBondContact OG1-OE2 3.2Å; S788-E792 VanDerWaalsContact O-CB 3.28Å; S788-E792 WeakPolarHBondContact O-CB 3.49Å; S788-E792 PolarHBondContact O-N 2.95Å; I789-E792 PolarHBondContact O-N 3.41Å; E792-T794 VanDerWaalsContact C-N 3.3Å; E792-T794 PolarHBondContact O-N 2.8Å; E792-I795 PolarHBondContact O-N 2.91Å; E792-I795 VanDerWaalsContact O-N 3.12Å; E792-E796 HydrophobicContact CG-CG 4.32Å; E792-E796 WeakPolarHBondContact O-CB 3.29Å; E792-E796 VanDerWaalsContact O-CG 3.27Å; E792-E796 WeakPolarHBondContact O-CG 3.14Å; E792-E796 PolarHBondContact O-N 3.16Å
793	R	91.2	Very high	89.9	Confident	8 Å²	8	60.8 Å²	60.8	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-56.9	-41.8	175.1	-72.7	-60.5	-55.6	129.6	4.8	112.5	D560 E576 I789 I795 E796 D797	D560-R793 IonicContact OD2-NH1 3.74Å; D560-R793 PolarHBondContact OD2-NH1 3.35Å; E576-R793 VanDerWaalsContact CD-NH2 3.28Å; E576-R793 IonicContact OE1-NH2 3.68Å; E576-R793 PolarHBondContact OE1-NH2 3.34Å; E576-R793 IonicContact OE2-CZ 3.27Å; E576-R793 IonicContact OE2-NE 2.75Å; E576-R793 PolarHBondContact OE2-NE 3.49Å; E576-R793 IonicContact OE2-NH2 3.51Å; E576-R793 PolarHBondContact OE2-NH2 2.82Å; I789-R793 HydrophobicContact CG2-CG 4.49Å; I789-R793 WeakPolarHBondContact O-CG 3.41Å; I789-R793 PolarHBondContact O-N 2.86Å; R793-I795 VanDerWaalsContact C-N 3.35Å; R793-I795 PolarHBondContact O-N 3.41Å; R793-E796 WeakPolarHBondContact CD-OE2 3.34Å; R793-E796 IonicContact CZ-OE2 3.47Å; R793-E796 IonicContact NE-OE2 3.84Å; R793-E796 IonicContact NH1-OE2 3.86Å; R793-E796 PolarHBondContact NH1-OE2 2.91Å; R793-E796 PolarHBondContact O-N 3.12Å; R793-D797 IonicContact CZ-OD1 2.72Å; R793-D797 IonicContact NH1-OD1 2.84Å; R793-D797 IonicContact NH2-OD1 2.73Å; R793-D797 PolarHBondContact NH2-OD1 2.89Å; R793-D797 IonicContact NH2-OD2 2.9Å; R793-D797 WeakPolarHBondContact O-CB 3.49Å; R793-D797 PolarHBondContact O-N 3.5Å
794	T	89.9	Confident	89.5	Confident	65 Å²	65	63.2 Å²	63.2	40%	0.399	32%	0.322	S	S	.	.	H	α-helix	trans	-63.5	-42.2	177.8	-56	0	0	0	0	111.1	L790 N791 E792 L798	L790-T794 WeakPolarHBondContact O-CB 3.26Å; L790-T794 PolarHBondContact O-N 3.21Å; L790-T794 PolarHBondContact O-OG1 3.14Å; N791-T794 WeakPolarHBondContact O-CB 3.42Å; N791-T794 PolarHBondContact O-N 3.17Å; E792-T794 VanDerWaalsContact C-N 3.3Å; E792-T794 PolarHBondContact O-N 2.8Å; T794-L798 HydrophobicContact CG2-CD1 4.1Å; T794-L798 WeakPolarHBondContact O-CB 3.48Å; T794-L798 WeakPolarHBondContact O-CD1 3.21Å; T794-L798 WeakPolarHBondContact O-CG 3.17Å; T794-L798 PolarHBondContact O-N 3.04Å
795	I	91.1	Very high	88.6	Confident	80 Å²	80	60.8 Å²	60.8	41%	0.41	31%	0.314	S	S	.	.	H	α-helix	trans	-67	-43.8	176.4	-66.6	163.8	0	0	0	110.8	N791 E792 R793 L798 H799	N791-I795 VanDerWaalsContact O-CG1 3.28Å; N791-I795 WeakPolarHBondContact O-CG1 3.37Å; N791-I795 PolarHBondContact O-N 3.33Å; E792-I795 PolarHBondContact O-N 2.91Å; E792-I795 VanDerWaalsContact O-N 3.12Å; R793-I795 VanDerWaalsContact C-N 3.35Å; R793-I795 PolarHBondContact O-N 3.41Å; I795-L798 PolarHBondContact O-N 2.77Å; I795-H799 PolarHBondContact O-N 3.26Å
796	E	91.1	Very high	87.5	Confident	30 Å²	30	63 Å²	63	14%	0.14	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-41.7	177.8	-72.7	172.4	160.5	0	0	112.2	D560 R582 E792 R793 H799 V800	D560-E796 HydrophobicContact CB-CB 4.26Å; D560-E796 HydrophobicContact CB-CG 3.91Å; R582-E796 IonicContact CZ-OE1 3.47Å; R582-E796 IonicContact CZ-OE2 2.83Å; R582-E796 IonicContact NH2-OE1 3.07Å; R582-E796 PolarHBondContact NH2-OE1 3.38Å; R582-E796 IonicContact NH2-OE2 3.72Å; R582-E796 PolarHBondContact NH2-OE2 3.26Å; E792-E796 HydrophobicContact CG-CG 4.32Å; E792-E796 WeakPolarHBondContact O-CB 3.29Å; E792-E796 VanDerWaalsContact O-CG 3.27Å; E792-E796 WeakPolarHBondContact O-CG 3.14Å; E792-E796 PolarHBondContact O-N 3.16Å; R793-E796 WeakPolarHBondContact CD-OE2 3.34Å; R793-E796 IonicContact CZ-OE2 3.47Å; R793-E796 IonicContact NE-OE2 3.84Å; R793-E796 IonicContact NH1-OE2 3.86Å; R793-E796 PolarHBondContact NH1-OE2 2.91Å; R793-E796 PolarHBondContact O-N 3.12Å; E796-H799 CarbonylContact O-C 3.56Å; E796-V800 PolarHBondContact O-N 3.5Å
797	D	88.4	Confident	86.3	Confident	64 Å²	64	71.4 Å²	71.4	34%	0.342	37%	0.368	S	S	.	.	H	α-helix	trans	-71.7	-33	177.1	-77.6	-22.1	0	0	0	112.1	R565 R793	R565-D797 IonicContact NH2-OD1 3.78Å; R565-D797 PolarHBondContact NH2-OD1 3.21Å; R565-D797 IonicContact NH2-OD2 2.85Å; R565-D797 PolarHBondContact NH2-OD2 3.13Å; R793-D797 IonicContact CZ-OD1 2.72Å; R793-D797 IonicContact NH1-OD1 2.84Å; R793-D797 IonicContact NH2-OD1 2.73Å; R793-D797 PolarHBondContact NH2-OD1 2.89Å; R793-D797 IonicContact NH2-OD2 2.9Å; R793-D797 WeakPolarHBondContact O-CB 3.49Å; R793-D797 PolarHBondContact O-N 3.5Å
798	L	89.6	Confident	85.4	Confident	110 Å²	110	66.8 Å²	66.8	58%	0.576	35%	0.351	S	S	*	.	H	α-helix	trans	-74.2	-35.1	174.2	-72.5	170.7	0	0	0	112.8	F12 T794 I795	F12-L798 HydrophobicContact CZ-CD1 4.17Å; T794-L798 HydrophobicContact CG2-CD1 4.1Å; T794-L798 WeakPolarHBondContact O-CB 3.48Å; T794-L798 WeakPolarHBondContact O-CD1 3.21Å; T794-L798 WeakPolarHBondContact O-CG 3.17Å; T794-L798 PolarHBondContact O-N 3.04Å; I795-L798 PolarHBondContact O-N 2.77Å
799	H	88.8	Confident	84.2	Confident	134 Å²	134	65.5 Å²	65.5	62%	0.62	34%	0.341	S	S	*	.	S	Bend	trans	-128.8	74.1	-175.1	-62.1	85	0	0	0	110.8	I795 E796 I801	I795-H799 PolarHBondContact O-N 3.26Å; E796-H799 CarbonylContact O-C 3.56Å; H799-I801 PolarHBondContact O-N 2.88Å
800	V	88.2	Confident	83.1	Confident	44 Å²	44	68.2 Å²	68.2	27%	0.267	36%	0.355	S	S	.	.			trans	-67	126.1	174.9	-175	0	0	0	0	110	D531 R558 E796 L802	D531-V800 HydrophobicContact CB-CG2 4.5Å; R558-V800 HydrophobicContact CG-CG1 4.42Å; R558-V800 VanDerWaalsContact CZ-CG1 3.5Å; R558-V800 VanDerWaalsContact NH1-CG1 3.25Å; E796-V800 PolarHBondContact O-N 3.5Å; V800-L802 HydrophobicContact CG1-CD2 4.17Å
801	I	88.5	Confident	82	Confident	96 Å²	96	69.8 Å²	69.8	49%	0.492	36%	0.361	S	S	.	.			trans	-116.8	127.7	174.6	-59.4	172.6	0	0	0	108	K559 H799	K559-I801 HydrophobicContact CB-CB 4.19Å; K559-I801 HydrophobicContact CB-CG2 4.26Å; K559-I801 VanDerWaalsContact CB-O 3.23Å; K559-I801 WeakPolarHBondContact CB-O 3.25Å; K559-I801 HydrophobicContact CD-CB 4.3Å; K559-I801 HydrophobicContact CD-CG2 3.97Å; K559-I801 PolarHBondContact N-O 3.28Å; H799-I801 PolarHBondContact O-N 2.88Å
802	L	87.6	Confident	81	Confident	36 Å²	36	66.9 Å²	66.9	19%	0.188	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-88.9	132.9	174.8	-55.6	-177.6	0	0	0	110.8	Y527 N557 R558 V800 M804	Y527-L802 HydrophobicContact CD1-CB 4.44Å; Y527-L802 HydrophobicContact CD1-CD1 4.08Å; N557-L802 CarbonylContact O-C 3.57Å; N557-L802 WeakPolarHBondContact O-CA 3.26Å; N557-L802 WeakPolarHBondContact O-CB 3.48Å; R558-L802 HydrophobicContact CG-CD2 3.92Å; V800-L802 HydrophobicContact CG1-CD2 4.17Å; L802-M804 PolarHBondContact O-N 3.01Å
803	D	84.8	Confident	80	Confident	80 Å²	80	70.2 Å²	70.2	43%	0.428	36%	0.364	S	S	.	.			trans	-78.1	106.6	170.6	-165.4	13.8	0	0	0	108.3	N557 K561	N557-D803 PolarHBondContact O-N 3.12Å; K561-D803 IonicContact NZ-OD2 3.76Å
804	M	79.7	Confident	78.8	Confident	73 Å²	73	72 Å²	72	36%	0.36	39%	0.385	S	S	.	.			trans	-92.4	127.8	179	-60.7	-179	-63	0	0	108.9	Y527 L802 P806 H811 N812	Y527-M804 HydrophobicContact CE1-CG 4.27Å; L802-M804 PolarHBondContact O-N 3.01Å; M804-P806 WeakPolarHBondContact O-CD 3.32Å; M804-H811 VanDerWaalsContact SD-C 3.55Å; M804-H811 HydrophobicContact SD-CB 4.17Å; M804-N812 HydrophobicContact CB-CB 4.3Å; M804-N812 HydrophobicContact CE-CB 4.39Å
805	D	72.7	Confident	77.8	Confident	83 Å²	83	70.4 Å²	70.4	44%	0.444	38%	0.378	S	S	.	.			trans	-52.7	126.5	172.1	-175.9	-21.4	0	0	0	109.6	F807 D808	D805-F807 PolarHBondContact O-N 2.95Å; D805-F807 VanDerWaalsContact OD1-CD2 3.31Å; D805-F807 WeakPolarHBondContact OD1-CD2 3.3Å; D805-F807 PolarHBondContact OD1-N 2.93Å; D805-D808 HydrophobicContact CB-CB 4.11Å; D805-D808 PolarHBondContact O-N 2.95Å
806	P	68.4	Low	76.9	Confident	90 Å²	90	68.5 Å²	68.5	58%	0.584	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-26.7	175.6	-28	35.2	0	0	0	114.4	M804	M804-P806 WeakPolarHBondContact O-CD 3.32Å
807	F	66.3	Low	76.3	Confident	177 Å²	177	72.4 Å²	72.4	78%	0.776	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.7	179.8	-55	-72.7	0	0	0	113.6	D805 T809	D805-F807 PolarHBondContact O-N 2.95Å; D805-F807 VanDerWaalsContact OD1-CD2 3.31Å; D805-F807 WeakPolarHBondContact OD1-CD2 3.3Å; D805-F807 PolarHBondContact OD1-N 2.93Å; F807-T809 PolarHBondContact O-N 3.02Å
808	D	69.8	Low	75.8	Confident	13 Å²	13	74 Å²	74	7%	0.07	40%	0.395	C	S	.	.			trans	-76.9	93.9	174.1	-167.6	-22.4	0	0	0	111.1	K504 D805 L810 H811 N812	K504-D808 IonicContact NZ-OD1 3.78Å; K504-D808 PolarHBondContact NZ-OD1 2.75Å; K504-D808 IonicContact NZ-OD2 3.05Å; K504-D808 PolarHBondContact NZ-OD2 3.18Å; D805-D808 HydrophobicContact CB-CB 4.11Å; D805-D808 PolarHBondContact O-N 2.95Å; D808-L810 PolarHBondContact O-N 2.54Å; D808-L810 WeakPolarHBondContact OD1-CB 3.47Å; D808-L810 PolarHBondContact OD1-N 3.08Å; D808-H811 PolarHBondContact OD1-N 2.6Å; D808-H811 IonicContact OD1-ND1 3.45Å; D808-H811 PolarHBondContact OD1-ND1 3.12Å; D808-H811 IonicContact OD2-CE1 3.49Å; D808-H811 IonicContact OD2-CG 3.63Å; D808-H811 IonicContact OD2-ND1 2.71Å; D808-H811 PolarHBondContact OD2-ND1 3.49Å; D808-N812 WeakPolarHBondContact O-CB 3.42Å; D808-N812 PolarHBondContact O-N 2.9Å
809	T	66.7	Low	75.3	Confident	37 Å²	37	73.8 Å²	73.8	23%	0.227	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.1	178.6	55.1	0	0	0	0	114.7	F807 N816	F807-T809 PolarHBondContact O-N 3.02Å; T809-N816 WeakPolarHBondContact O-CB 3.48Å; T809-N816 VanDerWaalsContact O-CG 3.3Å; T809-N816 PolarHBondContact O-ND2 3.16Å
810	L	68.9	Low	75	Confident	62 Å²	62	70.3 Å²	70.3	33%	0.325	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-43.3	-176	-72.5	170.4	0	0	0	111.9	Q500 K501 K504 D808	Q500-L810 HydrophobicContact CB-CD1 4.19Å; Q500-L810 HydrophobicContact CG-CD1 3.85Å; K501-L810 HydrophobicContact CB-CD1 4.4Å; K501-L810 HydrophobicContact CB-CD2 4.34Å; K504-L810 HydrophobicContact CB-CD1 4.48Å; K504-L810 HydrophobicContact CD-CD1 3.64Å; K504-L810 HydrophobicContact CG-CD1 4.12Å; D808-L810 PolarHBondContact O-N 2.54Å; D808-L810 WeakPolarHBondContact OD1-CB 3.47Å; D808-L810 PolarHBondContact OD1-N 3.08Å
811	H	68.9	Low	74.8	Confident	57 Å²	57	73.8 Å²	73.8	26%	0.264	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-36.5	-176.9	-58.3	101.9	0	0	0	112	Y527 M804 D808 I813	Y527-H811 VanDerWaalsContact CB-CD2 3.5Å; Y527-H811 WeakPolarHBondContact CB-CD2 3.33Å; Y527-H811 AromaticContact CD2-CD2 3.97Å; Y527-H811 AromaticContact CD2-CE1 3.5Å; Y527-H811 AromaticContact CD2-CG 3.71Å; Y527-H811 AromaticContact CD2-ND1 3.42Å; Y527-H811 WeakPolarHBondContact CD2-ND1 3.17Å; Y527-H811 AromaticContact CD2-NE2 3.87Å; Y527-H811 AromaticContact CE2-ND1 3.81Å; Y527-H811 HydrophobicContact CG-CB 4.44Å; Y527-H811 AromaticContact CG-CD2 3.86Å; Y527-H811 AromaticContact CG-CG 3.84Å; M804-H811 VanDerWaalsContact SD-C 3.55Å; M804-H811 HydrophobicContact SD-CB 4.17Å; D808-H811 PolarHBondContact OD1-N 2.6Å; D808-H811 IonicContact OD1-ND1 3.45Å; D808-H811 PolarHBondContact OD1-ND1 3.12Å; D808-H811 IonicContact OD2-CE1 3.49Å; D808-H811 IonicContact OD2-CG 3.63Å; D808-H811 IonicContact OD2-ND1 2.71Å; D808-H811 PolarHBondContact OD2-ND1 3.49Å; H811-I813 VanDerWaalsContact C-N 3.26Å; H811-I813 PolarHBondContact O-N 3.43Å
812	N	69.8	Low	74.6	Confident	28 Å²	28	74 Å²	74	15%	0.15	39%	0.387	C	S	.	.			trans	-82.9	71.9	178.8	-162	-20.1	0	0	0	110.9	M804 D808 G814 A815 N816	M804-N812 HydrophobicContact CB-CB 4.3Å; M804-N812 HydrophobicContact CE-CB 4.39Å; D808-N812 WeakPolarHBondContact O-CB 3.42Å; D808-N812 PolarHBondContact O-N 2.9Å; N812-G814 PolarHBondContact O-N 3.38Å; N812-A815 HydrophobicContact CB-CB 4.01Å; N812-A815 WeakPolarHBondContact ND2-CB 3.32Å; N812-A815 PolarHBondContact O-N 2.94Å; N812-A815 VanDerWaalsContact O-N 3.16Å; N812-A815 WeakPolarHBondContact OD1-CB 3.29Å; N812-A815 PolarHBondContact OD1-N 2.77Å; N812-N816 WeakPolarHBondContact O-CB 3.26Å; N812-N816 PolarHBondContact O-N 3.09Å
813	I	68.8	Low	74.5	Confident	108 Å²	108	76.5 Å²	76.5	55%	0.554	40%	0.398	S	S	*	.	H	α-helix	trans	-54.1	-40.3	-177.6	-60.7	172.3	0	0	0	110.7	H811 N816 Q817	H811-I813 VanDerWaalsContact C-N 3.26Å; H811-I813 PolarHBondContact O-N 3.43Å; I813-N816 PolarHBondContact O-N 2.95Å; I813-Q817 HydrophobicContact CG2-CG 4.28Å; I813-Q817 WeakPolarHBondContact O-CB 3.33Å; I813-Q817 VanDerWaalsContact O-CG 3.23Å; I813-Q817 WeakPolarHBondContact O-CG 3.49Å; I813-Q817 PolarHBondContact O-N 2.88Å
814	G	66.3	Low	74.5	Confident	45 Å²	45	78.5 Å²	78.5	46%	0.464	40%	0.403	S	S	.	.	H	α-helix	trans	-64.6	-47.7	178.6	0	0	0	0	0	113	N812 Q817 L818	N812-G814 PolarHBondContact O-N 3.38Å; G814-Q817 PolarHBondContact O-N 3.29Å; G814-L818 WeakPolarHBondContact O-CB 3.25Å; G814-L818 PolarHBondContact O-N 3.48Å
815	A	68.5	Low	74.8	Confident	32 Å²	32	79.9 Å²	79.9	26%	0.264	41%	0.411	S	S	.	.	H	α-helix	trans	-66.5	-37.3	175.9	0	0	0	0	0	112.1	N812 L818 R819	N812-A815 HydrophobicContact CB-CB 4.01Å; N812-A815 WeakPolarHBondContact ND2-CB 3.32Å; N812-A815 PolarHBondContact O-N 2.94Å; N812-A815 VanDerWaalsContact O-N 3.16Å; N812-A815 WeakPolarHBondContact OD1-CB 3.29Å; N812-A815 PolarHBondContact OD1-N 2.77Å; A815-L818 PolarHBondContact O-N 3.34Å; A815-R819 WeakPolarHBondContact O-CB 3.31Å; A815-R819 PolarHBondContact O-N 3.29Å
816	N	73.2	Confident	75.4	Confident	39 Å²	39	78 Å²	78	21%	0.209	41%	0.407	C	S	.	.	H	α-helix	trans	-67.5	-40.7	176.4	-171.4	37.6	0	0	0	111.8	T809 N812 I813 R819 I820	T809-N816 WeakPolarHBondContact O-CB 3.48Å; T809-N816 VanDerWaalsContact O-CG 3.3Å; T809-N816 PolarHBondContact O-ND2 3.16Å; N812-N816 WeakPolarHBondContact O-CB 3.26Å; N812-N816 PolarHBondContact O-N 3.09Å; I813-N816 PolarHBondContact O-N 2.95Å; N816-R819 PolarHBondContact O-N 3.23Å; N816-R819 PolarHBondContact OD1-NE 2.92Å; N816-R819 PolarHBondContact OD1-NH2 2.95Å; N816-I820 WeakPolarHBondContact O-CB 3.31Å; N816-I820 VanDerWaalsContact O-CG1 3.22Å; N816-I820 WeakPolarHBondContact O-CG1 3.31Å; N816-I820 PolarHBondContact O-N 3.09Å
817	Q	78.4	Confident	76	Confident	112 Å²	112	79.2 Å²	79.2	52%	0.523	41%	0.405	S	S	.	.	H	α-helix	trans	-61.6	-47.2	172.8	-78	174.6	-2.7	0	0	111	I813 G814 R819 I820 E821	I813-Q817 HydrophobicContact CG2-CG 4.28Å; I813-Q817 WeakPolarHBondContact O-CB 3.33Å; I813-Q817 VanDerWaalsContact O-CG 3.23Å; I813-Q817 WeakPolarHBondContact O-CG 3.49Å; I813-Q817 PolarHBondContact O-N 2.88Å; G814-Q817 PolarHBondContact O-N 3.29Å; Q817-R819 VanDerWaalsContact C-N 3.3Å; Q817-R819 PolarHBondContact O-N 2.9Å; Q817-I820 PolarHBondContact O-N 2.98Å; Q817-E821 WeakPolarHBondContact O-CB 3.27Å; Q817-E821 WeakPolarHBondContact O-CG 3.43Å; Q817-E821 PolarHBondContact O-N 3.34Å
818	L	78.2	Confident	76.7	Confident	98 Å²	98	75.1 Å²	75.1	51%	0.513	39%	0.391	S	S	.	.	H	α-helix	trans	-59.7	-41.6	175.6	-176.6	66.2	0	0	0	111.5	G814 A815 E821 L822	G814-L818 WeakPolarHBondContact O-CB 3.25Å; G814-L818 PolarHBondContact O-N 3.48Å; A815-L818 PolarHBondContact O-N 3.34Å; L818-E821 PolarHBondContact O-N 3.47Å; L818-L822 HydrophobicContact CD1-CG 4.49Å; L818-L822 HydrophobicContact CG-CD1 4.08Å; L818-L822 HydrophobicContact CG-CG 4.45Å; L818-L822 WeakPolarHBondContact O-CB 3.1Å; L818-L822 VanDerWaalsContact O-CG 3.23Å; L818-L822 WeakPolarHBondContact O-CG 3.48Å; L818-L822 PolarHBondContact O-N 3.13Å
819	R	78.5	Confident	77.1	Confident	105 Å²	105	80.6 Å²	80.6	40%	0.396	42%	0.417	S	S	.	.	H	α-helix	trans	-62.1	-47.7	175.3	-175.9	-173.3	67.2	99.5	-1.5	111.4	A815 N816 Q817 E821 L822 E823	A815-R819 WeakPolarHBondContact O-CB 3.31Å; A815-R819 PolarHBondContact O-N 3.29Å; N816-R819 PolarHBondContact O-N 3.23Å; N816-R819 PolarHBondContact OD1-NE 2.92Å; N816-R819 PolarHBondContact OD1-NH2 2.95Å; Q817-R819 VanDerWaalsContact C-N 3.3Å; Q817-R819 PolarHBondContact O-N 2.9Å; R819-E821 VanDerWaalsContact C-N 3.29Å; R819-E821 PolarHBondContact O-N 2.57Å; R819-L822 PolarHBondContact O-N 2.97Å; R819-E823 IonicContact CZ-OE1 3.02Å; R819-E823 IonicContact NH1-OE1 3.82Å; R819-E823 PolarHBondContact NH1-OE1 2.83Å; R819-E823 IonicContact NH1-OE2 2.76Å; R819-E823 WeakPolarHBondContact O-CB 3.45Å; R819-E823 WeakPolarHBondContact O-CG 3.04Å; R819-E823 PolarHBondContact O-N 3.07Å
820	I	82.3	Confident	77.5	Confident	62 Å²	62	85.1 Å²	85.1	32%	0.318	44%	0.435	S	S	.	.	H	α-helix	trans	-62.3	-38.8	177.4	-69	164.4	0	0	0	110.5	N816 Q817 K824	N816-I820 WeakPolarHBondContact O-CB 3.31Å; N816-I820 VanDerWaalsContact O-CG1 3.22Å; N816-I820 WeakPolarHBondContact O-CG1 3.31Å; N816-I820 PolarHBondContact O-N 3.09Å; Q817-I820 PolarHBondContact O-N 2.98Å; I820-K824 HydrophobicContact CG2-CD 4.21Å; I820-K824 WeakPolarHBondContact O-CB 3.19Å; I820-K824 VanDerWaalsContact O-CG 3.25Å; I820-K824 WeakPolarHBondContact O-CG 3.48Å; I820-K824 PolarHBondContact O-N 2.75Å
821	E	84.3	Confident	77.6	Confident	117 Å²	117	86.7 Å²	86.7	55%	0.547	44%	0.444	S	S	.	.	H	α-helix	trans	-66.4	-43.4	174.5	-76.1	-178.2	-179.8	0	0	112	Q817 L818 R819 K824 L825	Q817-E821 WeakPolarHBondContact O-CB 3.27Å; Q817-E821 WeakPolarHBondContact O-CG 3.43Å; Q817-E821 PolarHBondContact O-N 3.34Å; L818-E821 PolarHBondContact O-N 3.47Å; R819-E821 VanDerWaalsContact C-N 3.29Å; R819-E821 PolarHBondContact O-N 2.57Å; E821-K824 PolarHBondContact O-N 3.33Å; E821-L825 WeakPolarHBondContact O-CB 3.15Å; E821-L825 VanDerWaalsContact O-CG 3.27Å; E821-L825 WeakPolarHBondContact O-CG 3.26Å; E821-L825 PolarHBondContact O-N 3.01Å
822	L	84.6	Confident	77.5	Confident	100 Å²	100	86.9 Å²	86.9	52%	0.524	45%	0.451	S	S	.	.	H	α-helix	trans	-65.4	-40.1	175.5	-73.6	171.7	0	0	0	112	L818 R819 L825 A826	L818-L822 HydrophobicContact CD1-CG 4.49Å; L818-L822 HydrophobicContact CG-CD1 4.08Å; L818-L822 HydrophobicContact CG-CG 4.45Å; L818-L822 WeakPolarHBondContact O-CB 3.1Å; L818-L822 VanDerWaalsContact O-CG 3.23Å; L818-L822 WeakPolarHBondContact O-CG 3.48Å; L818-L822 PolarHBondContact O-N 3.13Å; R819-L822 PolarHBondContact O-N 2.97Å; L822-L825 PolarHBondContact O-N 2.68Å; L822-A826 VanDerWaalsContact O-CB 3.24Å; L822-A826 WeakPolarHBondContact O-CB 3.47Å; L822-A826 PolarHBondContact O-N 3.37Å
823	E	85	Confident	77	Confident	89 Å²	89	90.1 Å²	90.1	42%	0.416	47%	0.469	S	S	.	.	H	α-helix	trans	-62.6	-45.9	172.9	-79.3	172.3	-170.7	0	0	110.4	R819 L825 A826 E827	R819-E823 IonicContact CZ-OE1 3.02Å; R819-E823 IonicContact NH1-OE1 3.82Å; R819-E823 PolarHBondContact NH1-OE1 2.83Å; R819-E823 IonicContact NH1-OE2 2.76Å; R819-E823 WeakPolarHBondContact O-CB 3.45Å; R819-E823 WeakPolarHBondContact O-CG 3.04Å; R819-E823 PolarHBondContact O-N 3.07Å; E823-L825 PolarHBondContact O-N 2.89Å; E823-A826 PolarHBondContact O-N 3.27Å; E823-E827 WeakPolarHBondContact O-CB 3.43Å; E823-E827 WeakPolarHBondContact O-CG 3.42Å; E823-E827 PolarHBondContact O-N 2.91Å
824	K	85.9	Confident	76.5	Confident	121 Å²	121	88 Å²	88	53%	0.526	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-39.6	173.9	-76.6	173.6	-178.5	177.5	0	112.7	I820 E821 N828	I820-K824 HydrophobicContact CG2-CD 4.21Å; I820-K824 WeakPolarHBondContact O-CB 3.19Å; I820-K824 VanDerWaalsContact O-CG 3.25Å; I820-K824 WeakPolarHBondContact O-CG 3.48Å; I820-K824 PolarHBondContact O-N 2.75Å; E821-K824 PolarHBondContact O-N 3.33Å; K824-N828 VanDerWaalsContact O-CB 3.24Å; K824-N828 WeakPolarHBondContact O-CB 3.37Å; K824-N828 PolarHBondContact O-N 2.86Å; K824-N828 PolarHBondContact O-ND2 3.21Å; K824-N828 VanDerWaalsContact O-ND2 3.16Å
825	L	86.1	Confident	75.9	Confident	102 Å²	102	90.7 Å²	90.7	53%	0.534	47%	0.467	S	S	.	.	H	α-helix	trans	-67.3	-41.4	175.9	-75.8	170.6	0	0	0	110.9	E821 L822 E823 N828 E829	E821-L825 WeakPolarHBondContact O-CB 3.15Å; E821-L825 VanDerWaalsContact O-CG 3.27Å; E821-L825 WeakPolarHBondContact O-CG 3.26Å; E821-L825 PolarHBondContact O-N 3.01Å; L822-L825 PolarHBondContact O-N 2.68Å; E823-L825 PolarHBondContact O-N 2.89Å; L825-N828 CarbonylContact O-C 3.51Å; L825-N828 PolarHBondContact O-N 3.41Å; L825-E829 WeakPolarHBondContact O-CB 3.32Å; L825-E829 WeakPolarHBondContact O-CG 3.48Å; L825-E829 PolarHBondContact O-N 3.44Å
826	A	83.6	Confident	75.1	Confident	45 Å²	45	93.9 Å²	93.9	37%	0.372	48%	0.48	S	S	.	.	H	α-helix	trans	-66.6	-41.2	175.6	0	0	0	0	0	111.7	L822 E823 E829 Q830	L822-A826 VanDerWaalsContact O-CB 3.24Å; L822-A826 WeakPolarHBondContact O-CB 3.47Å; L822-A826 PolarHBondContact O-N 3.37Å; E823-A826 PolarHBondContact O-N 3.27Å; A826-E829 PolarHBondContact O-N 3.13Å; A826-Q830 VanDerWaalsContact O-CB 3.31Å; A826-Q830 WeakPolarHBondContact O-CB 2.72Å; A826-Q830 VanDerWaalsContact O-CG 3.3Å; A826-Q830 WeakPolarHBondContact O-CG 3.49Å; A826-Q830 PolarHBondContact O-N 3.06Å
827	E	82.4	Confident	74	Confident	114 Å²	114	99.6 Å²	99.6	53%	0.533	51%	0.505	S	S	.	.	H	α-helix	trans	-62.8	-41.3	171.4	-76.5	179.3	177.5	0	0	111.1	E823 Q830 N831	E823-E827 WeakPolarHBondContact O-CB 3.43Å; E823-E827 WeakPolarHBondContact O-CG 3.42Å; E823-E827 PolarHBondContact O-N 2.91Å; E827-Q830 PolarHBondContact O-N 2.97Å; E827-N831 WeakPolarHBondContact O-CB 3.37Å; E827-N831 PolarHBondContact O-N 2.97Å; E827-N831 PolarHBondContact O-ND2 3.49Å
828	N	81.5	Confident	72.5	Confident	91 Å²	91	100 Å²	100	49%	0.487	51%	0.511	S	S	.	.	H	α-helix	trans	-67.6	-37.3	175.3	-74.2	-24.3	0	0	0	112.4	K824 L825 S832	K824-N828 VanDerWaalsContact O-CB 3.24Å; K824-N828 WeakPolarHBondContact O-CB 3.37Å; K824-N828 PolarHBondContact O-N 2.86Å; K824-N828 PolarHBondContact O-ND2 3.21Å; K824-N828 VanDerWaalsContact O-ND2 3.16Å; L825-N828 CarbonylContact O-C 3.51Å; L825-N828 PolarHBondContact O-N 3.41Å; N828-S832 WeakPolarHBondContact O-CB 3.34Å; N828-S832 PolarHBondContact O-N 3.33Å; N828-S832 PolarHBondContact O-OG 3.11Å
829	E	77.2	Confident	70.8	Confident	129 Å²	129	98.7 Å²	98.7	60%	0.603	50%	0.504	S	S	*	.	H	α-helix	trans	-70.1	-39.3	173.4	-79.9	-170.9	170.7	0	0	111.3	L825 A826 S832 N833	L825-E829 WeakPolarHBondContact O-CB 3.32Å; L825-E829 WeakPolarHBondContact O-CG 3.48Å; L825-E829 PolarHBondContact O-N 3.44Å; A826-E829 PolarHBondContact O-N 3.13Å; E829-S832 PolarHBondContact O-N 3.48Å; E829-N833 WeakPolarHBondContact O-CA 3.34Å; E829-N833 WeakPolarHBondContact O-CB 3.47Å; E829-N833 PolarHBondContact O-N 2.94Å; E829-N833 PolarHBondContact O-ND2 3.43Å
830	Q	74.4	Confident	69.2	Low	132 Å²	132	101 Å²	101	62%	0.617	53%	0.525	S	S	*	.	H	α-helix	trans	-66.5	-39.8	173.4	-78.5	-173.2	7.5	0	0	111.5	A826 E827 S834	A826-Q830 VanDerWaalsContact O-CB 3.31Å; A826-Q830 WeakPolarHBondContact O-CB 2.72Å; A826-Q830 VanDerWaalsContact O-CG 3.3Å; A826-Q830 WeakPolarHBondContact O-CG 3.49Å; A826-Q830 PolarHBondContact O-N 3.06Å; E827-Q830 PolarHBondContact O-N 2.97Å; Q830-S834 WeakPolarHBondContact O-CA 3.5Å; Q830-S834 WeakPolarHBondContact O-CB 3.42Å; Q830-S834 PolarHBondContact O-N 2.81Å; Q830-S834 PolarHBondContact O-OG 2.78Å
831	N	72.5	Confident	67.5	Low	94 Å²	94	104 Å²	104	50%	0.503	54%	0.54	S	S	.	.	H	α-helix	trans	-68.4	-38.7	173.2	-74.3	-26.1	0	0	0	111.2	E827 N835	E827-N831 WeakPolarHBondContact O-CB 3.37Å; E827-N831 PolarHBondContact O-N 2.97Å; E827-N831 PolarHBondContact O-ND2 3.49Å; N831-N835 WeakPolarHBondContact O-CB 3.37Å; N831-N835 PolarHBondContact O-N 2.86Å; N831-N835 PolarHBondContact O-ND2 3.05Å; N831-N835 VanDerWaalsContact O-ND2 3.15Å
832	S	65.4	Low	65.8	Low	61 Å²	61	107.2 Å²	107.2	43%	0.427	56%	0.555	S	S	.	*	H	α-helix	trans	-70.7	-37.4	175.9	-60.4	0	0	0	0	112.2	N828 E829 N835 N836	N828-S832 WeakPolarHBondContact O-CB 3.34Å; N828-S832 PolarHBondContact O-N 3.33Å; N828-S832 PolarHBondContact O-OG 3.11Å; E829-S832 PolarHBondContact O-N 3.48Å; S832-N835 PolarHBondContact O-N 3.4Å; S832-N836 VanDerWaalsContact O-CB 3.23Å; S832-N836 WeakPolarHBondContact O-CB 3.37Å; S832-N836 PolarHBondContact O-N 2.87Å; S832-N836 PolarHBondContact O-ND2 3.45Å
833	N	60	Low	64.4	Low	97 Å²	97	111.4 Å²	111.4	52%	0.519	57%	0.565	S	S	.	*	H	α-helix	trans	-76.1	-34.4	176.1	-75.4	-23.2	0	0	0	111.4	E829 N836 H837	E829-N833 WeakPolarHBondContact O-CA 3.34Å; E829-N833 WeakPolarHBondContact O-CB 3.47Å; E829-N833 PolarHBondContact O-N 2.94Å; E829-N833 PolarHBondContact O-ND2 3.43Å; N833-N836 CarbonylContact O-C 3.53Å; N833-N836 PolarHBondContact O-N 2.77Å; N833-H837 WeakPolarHBondContact O-CB 3.43Å; N833-H837 PolarHBondContact O-N 3.22Å
834	S	57.8	Low	63.5	Low	63 Å²	63	109 Å²	109	44%	0.441	56%	0.555	S	S	.	*	H	α-helix	trans	-69	-37.5	170	-63.8	0	0	0	0	110.9	Q830 N836 N838	Q830-S834 WeakPolarHBondContact O-CA 3.5Å; Q830-S834 WeakPolarHBondContact O-CB 3.42Å; Q830-S834 PolarHBondContact O-N 2.81Å; Q830-S834 PolarHBondContact O-OG 2.78Å; S834-N836 VanDerWaalsContact C-N 3.33Å; S834-N838 VanDerWaalsContact O-CB 3.23Å; S834-N838 WeakPolarHBondContact O-CB 3.43Å; S834-N838 PolarHBondContact O-N 3.25Å; S834-N838 PolarHBondContact O-ND2 2.65Å; S834-N838 VanDerWaalsContact O-ND2 3.14Å
835	N	55	Low	62.8	Low	101 Å²	101	107.5 Å²	107.5	54%	0.54	55%	0.547	S	S	.	.	H	α-helix	trans	-69.1	-30.4	171.4	-71.6	-20.2	0	0	0	112.1	N831 S832 N839	N831-N835 WeakPolarHBondContact O-CB 3.37Å; N831-N835 PolarHBondContact O-N 2.86Å; N831-N835 PolarHBondContact O-ND2 3.05Å; N831-N835 VanDerWaalsContact O-ND2 3.15Å; S832-N835 PolarHBondContact O-N 3.4Å; N835-N839 PolarHBondContact O-N 3.38Å; N835-N839 PolarHBondContact O-ND2 3.34Å; N835-N839 VanDerWaalsContact O-ND2 3.1Å; N835-N839 PolarHBondContact O-OD1 2.95Å
836	N	50.9	Low	62.3	Low	100 Å²	100	102.6 Å²	102.6	54%	0.535	52%	0.521	S	S	.	.	H	α-helix	trans	-83	-27.5	175.5	-77.4	-24.4	0	0	0	114	S832 N833 S834 N839	S832-N836 VanDerWaalsContact O-CB 3.23Å; S832-N836 WeakPolarHBondContact O-CB 3.37Å; S832-N836 PolarHBondContact O-N 2.87Å; S832-N836 PolarHBondContact O-ND2 3.45Å; N833-N836 CarbonylContact O-C 3.53Å; N833-N836 PolarHBondContact O-N 2.77Å; S834-N836 VanDerWaalsContact C-N 3.33Å; N836-N839 PolarHBondContact O-N 3.33Å
837	H	50.1	Low	61.7	Low	158 Å²	158	105.8 Å²	105.8	73%	0.731	53%	0.528	S	S	*	.	H	α-helix	trans	-82.2	-21.6	170.3	-95.7	24	0	0	0	112.7	N833 N839	N833-H837 WeakPolarHBondContact O-CB 3.43Å; N833-H837 PolarHBondContact O-N 3.22Å; H837-N839 PolarHBondContact O-N 3.08Å
838	N	47	Very low	61.4	Low	122 Å²	122	104.1 Å²	104.1	65%	0.652	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-1.9	166.9	-70	-23.7	0	0	0	113	S834	S834-N838 VanDerWaalsContact O-CB 3.23Å; S834-N838 WeakPolarHBondContact O-CB 3.43Å; S834-N838 PolarHBondContact O-N 3.25Å; S834-N838 PolarHBondContact O-ND2 2.65Å; S834-N838 VanDerWaalsContact O-ND2 3.14Å
839	N	42.5	Very low	61.1	Low	70 Å²	70	101.1 Å²	101.1	37%	0.374	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	26.4	174.7	-76.1	-20.4	0	0	0	113.5	N835 N836 H837 I841	N835-N839 PolarHBondContact O-N 3.38Å; N835-N839 PolarHBondContact O-ND2 3.34Å; N835-N839 VanDerWaalsContact O-ND2 3.1Å; N835-N839 PolarHBondContact O-OD1 2.95Å; N836-N839 PolarHBondContact O-N 3.33Å; H837-N839 PolarHBondContact O-N 3.08Å; N839-I841 PolarHBondContact O-N 3.44Å
840	D	44.6	Very low	60.8	Low	154 Å²	154	95.9 Å²	95.9	82%	0.824	49%	0.486	S	S	*	.			trans	-69.1	33.3	157.2	-80.7	-16.2	0	0	0	112	E842	D840-E842 PolarHBondContact O-N 3.37Å
841	I	47.5	Very low	60.7	Low	123 Å²	123	94.5 Å²	94.5	63%	0.631	48%	0.481	S	S	*	.	S	Bend	trans	-81	106.9	155.4	-57.1	172.3	0	0	0	103.6	N839 Y843	N839-I841 PolarHBondContact O-N 3.44Å; I841-Y843 VanDerWaalsContact C-N 3.29Å; I841-Y843 PolarHBondContact O-N 3.38Å
842	E	48	Very low	60.5	Low	185 Å²	185	96 Å²	96	86%	0.864	49%	0.485	S	S	*	.			trans	-47.1	90.7	176.4	-164.1	173.4	-156.4	0	0	109.6	D840 D844	D840-E842 PolarHBondContact O-N 3.37Å; E842-D844 PolarHBondContact O-N 2.83Å
843	Y	55.7	Low	60.6	Low	188 Å²	188	95.4 Å²	95.4	74%	0.737	48%	0.475	S	S	*	.			trans	-59.3	115.8	-179.4	-102.2	-88.2	0	0	0	107.1	I841 Y845	I841-Y843 VanDerWaalsContact C-N 3.29Å; I841-Y843 PolarHBondContact O-N 3.38Å; Y843-Y845 PolarHBondContact O-N 2.95Å
844	D	65.5	Low	60.6	Low	39 Å²	39	96 Å²	96	21%	0.209	48%	0.478	C	S	.	.			trans	-70.6	94.5	-177.7	-170.3	-18.5	0	0	0	109.5	E842 L846 E847 R964	E842-D844 PolarHBondContact O-N 2.83Å; D844-L846 PolarHBondContact O-N 2.59Å; D844-L846 PolarHBondContact OD1-N 2.74Å; D844-E847 HydrophobicContact CB-CB 3.81Å; D844-E847 PolarHBondContact O-N 3.25Å; D844-E847 VanDerWaalsContact O-N 3.07Å; D844-E847 PolarHBondContact OD1-N 3.23Å; D844-R964 VanDerWaalsContact CG-NH1 3.29Å; D844-R964 IonicContact OD1-CZ 2.62Å; D844-R964 IonicContact OD1-NH1 3.26Å; D844-R964 PolarHBondContact OD1-NH1 3.04Å; D844-R964 IonicContact OD1-NH2 2.68Å; D844-R964 IonicContact OD2-CZ 3.67Å; D844-R964 IonicContact OD2-NH1 3.61Å; D844-R964 PolarHBondContact OD2-NH1 2.87Å; D844-R964 IonicContact OD2-NH2 3.19Å; D844-R964 PolarHBondContact OD2-NH2 2.96Å
845	Y	71.9	Confident	60.3	Low	89 Å²	89	99.3 Å²	99.3	35%	0.349	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-12.9	-177.5	52.7	-93.5	0	0	0	113.4	Y843 L959 D962	Y843-Y845 PolarHBondContact O-N 2.95Å; Y845-L959 HydrophobicContact CD2-CD2 4.3Å; Y845-L959 HydrophobicContact CE2-CD2 4.14Å; Y845-D962 WeakPolarHBondContact CE2-OD2 3.26Å; Y845-D962 VanDerWaalsContact CZ-OD2 3.29Å; Y845-D962 PolarHBondContact OH-OD2 3.17Å
846	L	75.1	Confident	60.1	Low	0 Å²	0	100.1 Å²	100.1	0%	0	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-20.5	176.7	-75.1	175.6	0	0	0	114	D844 P848 Y849 L850 V871 L959 D962 R964 L965	D844-L846 PolarHBondContact O-N 2.59Å; D844-L846 PolarHBondContact OD1-N 2.74Å; L846-P848 VanDerWaalsContact C-CD 3.42Å; L846-Y849 PolarHBondContact O-N 3.13Å; L846-L850 HydrophobicContact CB-CD1 3.81Å; L846-L850 HydrophobicContact CB-CG 4.19Å; L846-L850 WeakPolarHBondContact O-CG 3.39Å; L846-L850 PolarHBondContact O-N 2.87Å; L846-V871 HydrophobicContact CD2-CG1 3.67Å; L846-L959 HydrophobicContact CD2-CD2 3.59Å; L846-L959 HydrophobicContact CG-CD2 4.24Å; L846-D962 HydrophobicContact CD1-CB 4.34Å; L846-D962 VanDerWaalsContact CD1-OD2 3.26Å; L846-D962 WeakPolarHBondContact CD1-OD2 3.39Å; L846-R964 HydrophobicContact CD1-CB 4.5Å; L846-L965 HydrophobicContact CD1-CD1 4.17Å; L846-L965 HydrophobicContact CD1-CG 4.32Å; L846-L965 HydrophobicContact CD2-CD1 4.31Å
847	E	70.3	Confident	59.9	Low	111 Å²	111	103.2 Å²	103.2	52%	0.519	51%	0.512	S	S	.	.	H	α-helix	trans	-52.6	-44.2	-174.4	-173.8	168.7	-164	0	0	114.2	D844 Y849 L850 I851	D844-E847 HydrophobicContact CB-CB 3.81Å; D844-E847 PolarHBondContact O-N 3.25Å; D844-E847 VanDerWaalsContact O-N 3.07Å; D844-E847 PolarHBondContact OD1-N 3.23Å; E847-Y849 PolarHBondContact O-N 3.03Å; E847-Y849 VanDerWaalsContact O-N 3.17Å; E847-L850 PolarHBondContact O-N 2.91Å; E847-I851 HydrophobicContact CG-CD1 4.39Å; E847-I851 VanDerWaalsContact O-CG1 3.3Å; E847-I851 WeakPolarHBondContact O-CG1 3.39Å; E847-I851 PolarHBondContact O-N 2.64Å; E847-I851 VanDerWaalsContact O-N 3.14Å
848	P	75.5	Confident	59.8	Low	79 Å²	79	102.2 Å²	102.2	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-58.8	-32.7	179	-22.9	33.3	0	0	0	113.8	L846	L846-P848 VanDerWaalsContact C-CD 3.42Å
849	Y	75.5	Confident	60	Low	28 Å²	28	100.3 Å²	100.3	11%	0.11	52%	0.521	C	S	.	.	H	α-helix	trans	-87.6	-30.5	-178.3	-50.9	-84	0	0	0	111.6	L846 E847 Q852 F853 D874 C875 E878	L846-Y849 PolarHBondContact O-N 3.13Å; E847-Y849 PolarHBondContact O-N 3.03Å; E847-Y849 VanDerWaalsContact O-N 3.17Å; Y849-Q852 PolarHBondContact O-N 3.37Å; Y849-F853 WeakPolarHBondContact O-CD2 3.41Å; Y849-D874 HydrophobicContact CD1-CB 4Å; Y849-D874 HydrophobicContact CE1-CB 4.16Å; Y849-C875 HydrophobicContact CD2-CB 4.25Å; Y849-C875 HydrophobicContact CE1-CB 4.48Å; Y849-C875 HydrophobicContact CE2-CB 3.93Å; Y849-E878 WeakPolarHBondContact OH-CB 3.44Å; Y849-E878 VanDerWaalsContact OH-CD 3.28Å; Y849-E878 PolarHBondContact OH-OE2 2.92Å
850	L	72.6	Confident	60.4	Low	20 Å²	20	103.9 Å²	103.9	11%	0.105	54%	0.54	C	S	.	.	H	α-helix	trans	-71.9	-28.4	178	-69.2	174.1	0	0	0	112.9	L846 E847 Q852 F853 N854 L863	L846-L850 HydrophobicContact CB-CD1 3.81Å; L846-L850 HydrophobicContact CB-CG 4.19Å; L846-L850 WeakPolarHBondContact O-CG 3.39Å; L846-L850 PolarHBondContact O-N 2.87Å; E847-L850 PolarHBondContact O-N 2.91Å; L850-Q852 PolarHBondContact O-N 3.08Å; L850-Q852 VanDerWaalsContact O-N 3.11Å; L850-F853 PolarHBondContact O-N 3.45Å; L850-N854 PolarHBondContact O-N 2.97Å; L850-L863 HydrophobicContact CD2-CD1 3.56Å; L850-L863 HydrophobicContact CD2-CD2 4.16Å; L850-L863 HydrophobicContact CD2-CG 4.41Å
851	I	70.3	Confident	61	Low	102 Å²	102	103.4 Å²	103.4	52%	0.523	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.5	176.2	-70.3	162.5	0	0	0	111.8	E847 F853	E847-I851 HydrophobicContact CG-CD1 4.39Å; E847-I851 VanDerWaalsContact O-CG1 3.3Å; E847-I851 WeakPolarHBondContact O-CG1 3.39Å; E847-I851 PolarHBondContact O-N 2.64Å; E847-I851 VanDerWaalsContact O-N 3.14Å; I851-F853 VanDerWaalsContact C-N 3.28Å; I851-F853 PolarHBondContact O-N 2.97Å
852	Q	69.3	Low	61.7	Low	127 Å²	127	105 Å²	105	59%	0.593	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-22.6	-180	-57.1	-175.3	15.7	0	0	113.5	Y849 L850	Y849-Q852 PolarHBondContact O-N 3.37Å; L850-Q852 PolarHBondContact O-N 3.08Å; L850-Q852 VanDerWaalsContact O-N 3.11Å
853	F	67.3	Low	62.5	Low	48 Å²	48	97.4 Å²	97.4	21%	0.211	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-8.8	-175.6	-59.5	-74.8	0	0	0	113.9	Y849 L850 I851 N855 L863 Q867 I870 V871	Y849-F853 WeakPolarHBondContact O-CD2 3.41Å; L850-F853 PolarHBondContact O-N 3.45Å; I851-F853 VanDerWaalsContact C-N 3.28Å; I851-F853 PolarHBondContact O-N 2.97Å; F853-N855 PolarHBondContact O-N 3.25Å; F853-N855 VanDerWaalsContact O-N 3.14Å; F853-L863 HydrophobicContact CB-CD2 4.1Å; F853-L863 HydrophobicContact CD2-CD2 4.07Å; F853-L863 HydrophobicContact CG-CD2 4.08Å; F853-Q867 HydrophobicContact CD1-CB 3.99Å; F853-Q867 HydrophobicContact CD1-CG 3.66Å; F853-Q867 HydrophobicContact CE1-CB 3.96Å; F853-Q867 HydrophobicContact CE1-CG 3.69Å; F853-Q867 HydrophobicContact CG-CB 4.47Å; F853-Q867 HydrophobicContact CZ-CB 4.42Å; F853-I870 HydrophobicContact CZ-CB 4.29Å; F853-I870 HydrophobicContact CZ-CG2 4.03Å; F853-V871 HydrophobicContact CD2-CG2 3.67Å; F853-V871 HydrophobicContact CE2-CG2 3.32Å; F853-V871 HydrophobicContact CZ-CG2 4.31Å
854	N	60.2	Low	63.4	Low	109 Å²	109	92 Å²	92	58%	0.583	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	6.3	-178.7	-89.6	-15.5	0	0	0	115.3	L850	L850-N854 PolarHBondContact O-N 2.97Å
855	N	52	Low	63.9	Low	132 Å²	132	94.8 Å²	94.8	71%	0.706	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.4	-176.3	-78.4	-24.1	0	0	0	115.3	F853 N857	F853-N855 PolarHBondContact O-N 3.25Å; F853-N855 VanDerWaalsContact O-N 3.14Å; N855-N857 PolarHBondContact O-N 3.45Å
856	D	51.1	Low	64.2	Low	118 Å²	118	97.4 Å²	97.4	63%	0.631	52%	0.517	S	S	*	.			trans	-91.6	105	178.8	-73.5	-21	0	0	0	111.6	N858	D856-N858 PolarHBondContact O-N 2.95Å
857	N	45.7	Very low	64.5	Low	166 Å²	166	99.6 Å²	99.6	89%	0.888	53%	0.528	S	S	*	.			trans	-60.7	30.8	-178.2	-81.1	-46.3	0	0	0	116.9	N855	N855-N857 PolarHBondContact O-N 3.45Å
858	N	47.9	Very low	64.9	Low	137 Å²	137	94.3 Å²	94.3	73%	0.733	50%	0.503	S	S	*	.	S	Bend	trans	-111.8	115.1	174	-76	-32.8	0	0	0	109	D856 N860	D856-N858 PolarHBondContact O-N 2.95Å; N858-N860 PolarHBondContact O-N 3.38Å
859	G	51	Low	65.2	Low	81 Å²	81	92.2 Å²	92.2	84%	0.835	49%	0.49	S	S	*	.	S	Bend	trans	-63.9	45.7	-175.1	0	0	0	0	0	116.8
860	N	52.3	Low	65.6	Low	146 Å²	146	94.2 Å²	94.2	78%	0.781	50%	0.502	S	S	*	.			trans	-129.5	82.3	164.1	-91.7	-21.8	0	0	0	107.2	N858 K862	N858-N860 PolarHBondContact O-N 3.38Å; N860-K862 PolarHBondContact O-N 3.42Å
861	N	56.8	Low	66.1	Low	143 Å²	143	93.3 Å²	93.3	77%	0.765	50%	0.497	S	S	*	.			trans	-69.6	56.4	175.8	-75.8	2.1	0	0	0	112.2
862	K	61.5	Low	66.8	Low	157 Å²	157	90.2 Å²	90.2	68%	0.683	48%	0.479	S	S	*	.			trans	-105.8	114.8	163.1	-80.3	-173	171.8	-170.1	0	107.4	N860 T864	N860-K862 PolarHBondContact O-N 3.42Å; K862-T864 PolarHBondContact O-N 2.94Å
863	L	65.8	Low	67.6	Low	25 Å²	25	87.7 Å²	87.7	13%	0.131	47%	0.47	C	S	.	.			trans	-55.4	130.5	168.5	-73.5	127.4	0	0	0	108.4	L850 F853 Q867 A868 V871	L850-L863 HydrophobicContact CD2-CD1 3.56Å; L850-L863 HydrophobicContact CD2-CD2 4.16Å; L850-L863 HydrophobicContact CD2-CG 4.41Å; F853-L863 HydrophobicContact CB-CD2 4.1Å; F853-L863 HydrophobicContact CD2-CD2 4.07Å; F853-L863 HydrophobicContact CG-CD2 4.08Å; L863-Q867 HydrophobicContact CB-CB 4.34Å; L863-Q867 HydrophobicContact CD2-CB 3.8Å; L863-A868 HydrophobicContact CB-CB 4.2Å; L863-V871 HydrophobicContact CD2-CG2 4.26Å
864	T	73	Confident	68.6	Low	74 Å²	74	88.4 Å²	88.4	45%	0.454	48%	0.476	S	S	.	.			trans	-61.4	154	169.3	56	0	0	0	0	109.9	K862 E866 Q867 A868	K862-T864 PolarHBondContact O-N 2.94Å; T864-E866 PolarHBondContact O-N 2.92Å; T864-E866 VanDerWaalsContact O-N 3.09Å; T864-Q867 PolarHBondContact O-N 3.45Å; T864-Q867 WeakPolarHBondContact OG1-CG 3.23Å; T864-Q867 PolarHBondContact OG1-OE1 3.47Å; T864-A868 PolarHBondContact O-N 2.87Å
865	F	76.5	Confident	69.8	Low	99 Å²	99	83.5 Å²	83.5	43%	0.434	45%	0.45	S	S	.	.	H	α-helix	trans	-48.3	-39.6	178.2	175.6	-98.6	0	0	0	113.4	S869 L968 S971	F865-S869 WeakPolarHBondContact O-CB 3.41Å; F865-S869 PolarHBondContact O-N 3.39Å; F865-L968 HydrophobicContact CD2-CD2 4.35Å; F865-L968 HydrophobicContact CE2-CD2 3.84Å; F865-L968 HydrophobicContact CZ-CD2 4.41Å; F865-S971 WeakPolarHBondContact CE2-OG 3.39Å
866	E	79.4	Confident	71.5	Confident	143 Å²	143	77.6 Å²	77.6	67%	0.668	42%	0.418	S	S	*	.	H	α-helix	trans	-68.3	-45.3	179.1	-167.8	169.7	-168.7	0	0	112	T864 S869 I870	T864-E866 PolarHBondContact O-N 2.92Å; T864-E866 VanDerWaalsContact O-N 3.09Å; E866-S869 WeakPolarHBondContact O-CB 3.32Å; E866-S869 PolarHBondContact O-N 3.43Å; E866-I870 WeakPolarHBondContact O-CG1 3.35Å; E866-I870 PolarHBondContact O-N 2.86Å
867	Q	79.9	Confident	73.3	Confident	47 Å²	47	75.8 Å²	75.8	22%	0.22	41%	0.409	C	S	.	.	H	α-helix	trans	-64.2	-43.1	176	-66.7	167	-32	0	0	111.6	F853 L863 T864 S869 I870 V871	F853-Q867 HydrophobicContact CD1-CB 3.99Å; F853-Q867 HydrophobicContact CD1-CG 3.66Å; F853-Q867 HydrophobicContact CE1-CB 3.96Å; F853-Q867 HydrophobicContact CE1-CG 3.69Å; F853-Q867 HydrophobicContact CG-CB 4.47Å; F853-Q867 HydrophobicContact CZ-CB 4.42Å; L863-Q867 HydrophobicContact CB-CB 4.34Å; L863-Q867 HydrophobicContact CD2-CB 3.8Å; T864-Q867 PolarHBondContact O-N 3.45Å; T864-Q867 WeakPolarHBondContact OG1-CG 3.23Å; T864-Q867 PolarHBondContact OG1-OE1 3.47Å; Q867-S869 VanDerWaalsContact C-N 3.29Å; Q867-S869 PolarHBondContact O-N 2.89Å; Q867-I870 PolarHBondContact O-N 2.98Å; Q867-V871 WeakPolarHBondContact O-CG2 3.25Å; Q867-V871 PolarHBondContact O-N 3.3Å
868	A	79	Confident	75.4	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-60.6	-39.8	175.6	0	0	0	0	0	111.3	L863 T864 V871 Y872 L965 L968	L863-A868 HydrophobicContact CB-CB 4.2Å; T864-A868 PolarHBondContact O-N 2.87Å; A868-V871 PolarHBondContact O-N 2.95Å; A868-Y872 VanDerWaalsContact O-CB 3.29Å; A868-Y872 WeakPolarHBondContact O-CB 3.39Å; A868-Y872 PolarHBondContact O-N 3.09Å; A868-L965 HydrophobicContact CB-CD2 3.93Å; A868-L968 HydrophobicContact CB-CD1 3.81Å; A868-L968 HydrophobicContact CB-CG 3.98Å; A868-L968 WeakPolarHBondContact O-CD1 3.36Å
869	S	81.7	Confident	77.3	Confident	35 Å²	35	67.2 Å²	67.2	25%	0.245	36%	0.36	C	S	.	.	H	α-helix	trans	-65.2	-38.5	176.1	-167.6	0	0	0	0	112.7	F865 E866 Q867 N873	F865-S869 WeakPolarHBondContact O-CB 3.41Å; F865-S869 PolarHBondContact O-N 3.39Å; E866-S869 WeakPolarHBondContact O-CB 3.32Å; E866-S869 PolarHBondContact O-N 3.43Å; Q867-S869 VanDerWaalsContact C-N 3.29Å; Q867-S869 PolarHBondContact O-N 2.89Å; S869-N873 WeakPolarHBondContact O-CB 3.49Å; S869-N873 VanDerWaalsContact O-CG 3.27Å; S869-N873 PolarHBondContact O-N 3.49Å; S869-N873 PolarHBondContact O-ND2 3.17Å
870	I	84.6	Confident	79.2	Confident	70 Å²	70	68.2 Å²	68.2	36%	0.359	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-52.8	174.7	-66.6	164.7	0	0	0	110.1	F853 E866 Q867 Y872 N873 D874	F853-I870 HydrophobicContact CZ-CB 4.29Å; F853-I870 HydrophobicContact CZ-CG2 4.03Å; E866-I870 WeakPolarHBondContact O-CG1 3.35Å; E866-I870 PolarHBondContact O-N 2.86Å; Q867-I870 PolarHBondContact O-N 2.98Å; I870-Y872 VanDerWaalsContact C-N 3.3Å; I870-Y872 PolarHBondContact O-N 2.74Å; I870-N873 PolarHBondContact O-N 2.89Å; I870-N873 VanDerWaalsContact O-N 3.13Å; I870-D874 WeakPolarHBondContact CG2-OD2 3.29Å; I870-D874 WeakPolarHBondContact O-CB 3.49Å; I870-D874 PolarHBondContact O-N 2.83Å
871	V	82.7	Confident	81	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	33%	0.327	C	S	.	.	H	α-helix	trans	-56.3	-43.9	178.1	172.8	0	0	0	0	111.9	L846 F853 L863 Q867 A868 C875 L965	L846-V871 HydrophobicContact CD2-CG1 3.67Å; F853-V871 HydrophobicContact CD2-CG2 3.67Å; F853-V871 HydrophobicContact CE2-CG2 3.32Å; F853-V871 HydrophobicContact CZ-CG2 4.31Å; L863-V871 HydrophobicContact CD2-CG2 4.26Å; Q867-V871 WeakPolarHBondContact O-CG2 3.25Å; Q867-V871 PolarHBondContact O-N 3.3Å; A868-V871 PolarHBondContact O-N 2.95Å; V871-C875 VanDerWaalsContact O-CB 3.3Å; V871-C875 WeakPolarHBondContact O-CB 3.21Å; V871-C875 PolarHBondContact O-N 3.33Å; V871-L965 HydrophobicContact CB-CD2 4.43Å; V871-L965 HydrophobicContact CG1-CD2 4.3Å
872	Y	85.6	Confident	82.6	Confident	37 Å²	37	64.5 Å²	64.5	15%	0.145	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-46.5	177.6	178	-90.4	0	0	0	112.1	A868 I870 L876 E956 L959 K960 L965 L968	A868-Y872 VanDerWaalsContact O-CB 3.29Å; A868-Y872 WeakPolarHBondContact O-CB 3.39Å; A868-Y872 PolarHBondContact O-N 3.09Å; I870-Y872 VanDerWaalsContact C-N 3.3Å; I870-Y872 PolarHBondContact O-N 2.74Å; Y872-L876 HydrophobicContact CD1-CD1 3.96Å; Y872-L876 HydrophobicContact CE1-CD1 3.35Å; Y872-L876 HydrophobicContact CE2-CD1 4.14Å; Y872-L876 VanDerWaalsContact CZ-CD1 3.46Å; Y872-L876 WeakPolarHBondContact O-CG 3.4Å; Y872-L876 PolarHBondContact O-N 3.25Å; Y872-E956 VanDerWaalsContact OH-CG 3.22Å; Y872-E956 WeakPolarHBondContact OH-CG 3.23Å; Y872-L959 HydrophobicContact CD2-CB 3.81Å; Y872-L959 HydrophobicContact CD2-CD1 4.16Å; Y872-L959 HydrophobicContact CE2-CB 3.77Å; Y872-L959 HydrophobicContact CE2-CD1 4.3Å; Y872-K960 HydrophobicContact CE2-CG 4.29Å; Y872-L965 HydrophobicContact CD2-CD1 4.45Å; Y872-L968 HydrophobicContact CD2-CD1 4.4Å; Y872-L968 HydrophobicContact CG-CD1 4.29Å
873	N	86.6	Confident	84	Confident	74 Å²	74	58.2 Å²	58.2	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-71.1	-38.6	-178.5	-74.1	-38.8	0	0	0	112.2	S869 I870 N877	S869-N873 WeakPolarHBondContact O-CB 3.49Å; S869-N873 VanDerWaalsContact O-CG 3.27Å; S869-N873 PolarHBondContact O-N 3.49Å; S869-N873 PolarHBondContact O-ND2 3.17Å; I870-N873 PolarHBondContact O-N 2.89Å; I870-N873 VanDerWaalsContact O-N 3.13Å; N873-N877 WeakPolarHBondContact O-CB 3.44Å; N873-N877 VanDerWaalsContact O-CG 3.23Å; N873-N877 PolarHBondContact O-N 3.45Å; N873-N877 PolarHBondContact O-ND2 3.36Å; N873-N877 VanDerWaalsContact O-ND2 3.17Å
874	D	86.4	Confident	85.2	Confident	63 Å²	63	60.1 Å²	60.1	34%	0.337	30%	0.298	S	S	.	.	H	α-helix	trans	-67.3	-45.8	-179.9	-72.8	-11.6	0	0	0	111.3	Y849 I870 L876 N877 E878	Y849-D874 HydrophobicContact CD1-CB 4Å; Y849-D874 HydrophobicContact CE1-CB 4.16Å; I870-D874 WeakPolarHBondContact CG2-OD2 3.29Å; I870-D874 WeakPolarHBondContact O-CB 3.49Å; I870-D874 PolarHBondContact O-N 2.83Å; D874-L876 PolarHBondContact O-N 2.9Å; D874-N877 PolarHBondContact O-N 3.41Å; D874-E878 PolarHBondContact O-N 2.92Å
875	C	85.8	Confident	86	Confident	6 Å²	6	60.7 Å²	60.7	4%	0.041	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-44.6	176.6	-172.4	0	0	0	0	112.1	Y849 V871 L879 L959	Y849-C875 HydrophobicContact CD2-CB 4.25Å; Y849-C875 HydrophobicContact CE1-CB 4.48Å; Y849-C875 HydrophobicContact CE2-CB 3.93Å; V871-C875 VanDerWaalsContact O-CB 3.3Å; V871-C875 WeakPolarHBondContact O-CB 3.21Å; V871-C875 PolarHBondContact O-N 3.33Å; C875-L879 PolarHBondContact O-N 2.96Å; C875-L959 HydrophobicContact CB-CD1 4.24Å; C875-L959 HydrophobicContact CB-CD2 4.5Å
876	L	88	Confident	86.7	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.037	30%	0.302	C	S	.	.	H	α-helix	trans	-67.8	-38.6	176.1	-76	179.3	0	0	0	112.8	Y872 D874 K880 Y952 L955 E956 L959	Y872-L876 HydrophobicContact CD1-CD1 3.96Å; Y872-L876 HydrophobicContact CE1-CD1 3.35Å; Y872-L876 HydrophobicContact CE2-CD1 4.14Å; Y872-L876 VanDerWaalsContact CZ-CD1 3.46Å; Y872-L876 WeakPolarHBondContact O-CG 3.4Å; Y872-L876 PolarHBondContact O-N 3.25Å; D874-L876 PolarHBondContact O-N 2.9Å; L876-K880 VanDerWaalsContact O-CB 3.31Å; L876-K880 WeakPolarHBondContact O-CB 3.18Å; L876-K880 PolarHBondContact O-N 2.92Å; L876-Y952 HydrophobicContact CB-CE2 4.35Å; L876-Y952 HydrophobicContact CD2-CE1 4.49Å; L876-Y952 HydrophobicContact CD2-CE2 4.2Å; L876-L955 HydrophobicContact CD2-CD2 4.14Å; L876-L955 HydrophobicContact CD2-CG 4.23Å; L876-E956 HydrophobicContact CD1-CG 4.42Å; L876-E956 HydrophobicContact CD2-CB 4.32Å; L876-L959 HydrophobicContact CD1-CD1 4.46Å; L876-L959 HydrophobicContact CD2-CD1 3.82Å; L876-L959 HydrophobicContact CG-CD1 3.71Å
877	N	89.2	Confident	87.3	Confident	80 Å²	80	56 Å²	56	43%	0.428	28%	0.281	S	S	.	.	H	α-helix	trans	-67.7	-38.9	178	-82.3	-32.1	0	0	0	111.7	N873 D874 K880 Q881	N873-N877 WeakPolarHBondContact O-CB 3.44Å; N873-N877 VanDerWaalsContact O-CG 3.23Å; N873-N877 PolarHBondContact O-N 3.45Å; N873-N877 PolarHBondContact O-ND2 3.36Å; N873-N877 VanDerWaalsContact O-ND2 3.17Å; D874-N877 PolarHBondContact O-N 3.41Å; N877-K880 WeakPolarHBondContact O-CB 3.34Å; N877-K880 PolarHBondContact O-N 2.84Å; N877-Q881 WeakPolarHBondContact O-CG 3.26Å; N877-Q881 PolarHBondContact O-N 3.08Å
878	E	88.9	Confident	87.9	Confident	92 Å²	92	58.1 Å²	58.1	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-46.7	177	-169	173.7	151.4	0	0	111.1	Y849 D874 K880 Q881 Q882	Y849-E878 WeakPolarHBondContact OH-CB 3.44Å; Y849-E878 VanDerWaalsContact OH-CD 3.28Å; Y849-E878 PolarHBondContact OH-OE2 2.92Å; D874-E878 PolarHBondContact O-N 2.92Å; E878-K880 VanDerWaalsContact C-N 3.25Å; E878-K880 PolarHBondContact O-N 3.34Å; E878-Q881 PolarHBondContact O-N 3.07Å; E878-Q881 VanDerWaalsContact O-N 3.09Å; E878-Q882 WeakPolarHBondContact O-CG 3.22Å; E878-Q882 PolarHBondContact O-N 3.46Å; E878-Q882 PolarHBondContact OE1-NE2 3.42Å
879	L	89	Confident	88.4	Confident	32 Å²	32	63.3 Å²	63.3	17%	0.168	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-42	174.8	-179	65.6	0	0	0	110.9	C875 Q881 Q882 L883 L955	C875-L879 PolarHBondContact O-N 2.96Å; L879-Q881 VanDerWaalsContact C-N 3.35Å; L879-Q881 PolarHBondContact O-N 3.49Å; L879-Q882 PolarHBondContact O-N 3.33Å; L879-L883 HydrophobicContact CD1-CD1 4.32Å; L879-L883 HydrophobicContact CD1-CG 4.27Å; L879-L883 HydrophobicContact CD2-CD1 4.42Å; L879-L883 HydrophobicContact CG-CD1 3.96Å; L879-L883 HydrophobicContact CG-CG 4.34Å; L879-L883 WeakPolarHBondContact O-CB 3.43Å; L879-L883 VanDerWaalsContact O-CG 3.25Å; L879-L883 WeakPolarHBondContact O-CG 3.35Å; L879-L883 PolarHBondContact O-N 3.42Å; L879-L955 HydrophobicContact CB-CD2 3.79Å; L879-L955 HydrophobicContact CD2-CB 3.76Å; L879-L955 HydrophobicContact CD2-CD2 3.43Å; L879-L955 VanDerWaalsContact CD2-CD2 3.43Å; L879-L955 HydrophobicContact CD2-CG 4.22Å; L879-L955 HydrophobicContact CG-CD2 4.17Å
880	K	90.5	Very high	88.9	Confident	102 Å²	102	62.8 Å²	62.8	44%	0.443	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-44.8	175.8	-176.1	-178.9	175.9	-174.7	0	111.5	L876 N877 E878 L883 I884 Y952	L876-K880 VanDerWaalsContact O-CB 3.31Å; L876-K880 WeakPolarHBondContact O-CB 3.18Å; L876-K880 PolarHBondContact O-N 2.92Å; N877-K880 WeakPolarHBondContact O-CB 3.34Å; N877-K880 PolarHBondContact O-N 2.84Å; E878-K880 VanDerWaalsContact C-N 3.25Å; E878-K880 PolarHBondContact O-N 3.34Å; K880-L883 PolarHBondContact O-N 2.88Å; K880-I884 HydrophobicContact CG-CD1 3.89Å; K880-I884 WeakPolarHBondContact O-CB 3.38Å; K880-I884 WeakPolarHBondContact O-CD1 3.34Å; K880-I884 WeakPolarHBondContact O-CG1 3.5Å; K880-I884 PolarHBondContact O-N 3.4Å; K880-Y952 HydrophobicContact CB-CE2 4.14Å
881	Q	90.7	Very high	89.2	Confident	102 Å²	102	62.5 Å²	62.5	48%	0.477	31%	0.311	S	S	.	.	H	α-helix	trans	-64.9	-42	177	-71.1	-61	-17.6	0	0	112	N877 E878 L879 L883 I884 N885	N877-Q881 WeakPolarHBondContact O-CG 3.26Å; N877-Q881 PolarHBondContact O-N 3.08Å; E878-Q881 PolarHBondContact O-N 3.07Å; E878-Q881 VanDerWaalsContact O-N 3.09Å; L879-Q881 VanDerWaalsContact C-N 3.35Å; L879-Q881 PolarHBondContact O-N 3.49Å; Q881-L883 PolarHBondContact O-N 2.88Å; Q881-I884 PolarHBondContact O-N 2.93Å; Q881-N885 WeakPolarHBondContact O-CB 3.39Å; Q881-N885 PolarHBondContact O-N 3.45Å; Q881-N885 PolarHBondContact O-ND2 3.1Å
882	Q	89.7	Confident	89.7	Confident	109 Å²	109	67.6 Å²	67.6	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-61.9	-43.8	176.4	-70.6	-177.8	3.1	0	0	111.9	E878 L879 N885 K886	E878-Q882 WeakPolarHBondContact O-CG 3.22Å; E878-Q882 PolarHBondContact O-N 3.46Å; E878-Q882 PolarHBondContact OE1-NE2 3.42Å; L879-Q882 PolarHBondContact O-N 3.33Å; Q882-N885 PolarHBondContact O-N 3.32Å; Q882-K886 WeakPolarHBondContact O-CB 3.15Å; Q882-K886 PolarHBondContact O-N 3.44Å
883	L	91.2	Very high	90	Very high	24 Å²	24	69.4 Å²	69.4	13%	0.126	35%	0.35	C	S	.	.	H	α-helix	trans	-64.1	-41.3	175.6	-68.6	171.5	0	0	0	111.4	L879 K880 Q881 K886 A887 H944 A948	L879-L883 HydrophobicContact CD1-CD1 4.32Å; L879-L883 HydrophobicContact CD1-CG 4.27Å; L879-L883 HydrophobicContact CD2-CD1 4.42Å; L879-L883 HydrophobicContact CG-CD1 3.96Å; L879-L883 HydrophobicContact CG-CG 4.34Å; L879-L883 WeakPolarHBondContact O-CB 3.43Å; L879-L883 VanDerWaalsContact O-CG 3.25Å; L879-L883 WeakPolarHBondContact O-CG 3.35Å; L879-L883 PolarHBondContact O-N 3.42Å; K880-L883 PolarHBondContact O-N 2.88Å; Q881-L883 PolarHBondContact O-N 2.88Å; L883-K886 PolarHBondContact O-N 3.46Å; L883-A887 WeakPolarHBondContact O-CB 3.22Å; L883-A887 PolarHBondContact O-N 3.19Å; L883-H944 PolarHBondContact O-CE1 3.22Å; L883-A948 HydrophobicContact CB-CB 4.46Å; L883-A948 HydrophobicContact CD1-CB 4.04Å; L883-A948 HydrophobicContact CD2-CB 3.96Å; L883-A948 HydrophobicContact CG-CB 4.38Å
884	I	90.9	Very high	90.3	Very high	65 Å²	65	68.3 Å²	68.3	33%	0.333	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-47.2	175.6	-71.1	166.3	0	0	0	110.9	K880 Q881 K886 A887 N888	K880-I884 HydrophobicContact CG-CD1 3.89Å; K880-I884 WeakPolarHBondContact O-CB 3.38Å; K880-I884 WeakPolarHBondContact O-CD1 3.34Å; K880-I884 WeakPolarHBondContact O-CG1 3.5Å; K880-I884 PolarHBondContact O-N 3.4Å; Q881-I884 PolarHBondContact O-N 2.93Å; I884-K886 VanDerWaalsContact C-N 3.31Å; I884-K886 PolarHBondContact O-N 3.06Å; I884-A887 PolarHBondContact O-N 3.25Å; I884-A887 VanDerWaalsContact O-N 3.16Å; I884-N888 WeakPolarHBondContact O-CB 3.26Å; I884-N888 PolarHBondContact O-N 3.28Å; I884-N888 PolarHBondContact O-ND2 3.25Å
885	N	90.6	Very high	90.6	Very high	86 Å²	86	70.4 Å²	70.4	46%	0.46	35%	0.349	S	S	.	.	H	α-helix	trans	-60.2	-42.7	179.2	-72.8	-18.5	0	0	0	111.4	Q881 Q882 N888 I889	Q881-N885 WeakPolarHBondContact O-CB 3.39Å; Q881-N885 PolarHBondContact O-N 3.45Å; Q881-N885 PolarHBondContact O-ND2 3.1Å; Q882-N885 PolarHBondContact O-N 3.32Å; N885-N888 PolarHBondContact O-N 3.13Å; N885-I889 VanDerWaalsContact O-CG1 3.3Å; N885-I889 WeakPolarHBondContact O-CG1 3.36Å; N885-I889 PolarHBondContact O-N 3.02Å
886	K	90.1	Very high	91	Very high	117 Å²	117	76 Å²	76	51%	0.509	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-43.2	175.5	-173.4	167.7	-179	172.4	0	112.1	Q882 L883 I884 N888 I889 I890	Q882-K886 WeakPolarHBondContact O-CB 3.15Å; Q882-K886 PolarHBondContact O-N 3.44Å; L883-K886 PolarHBondContact O-N 3.46Å; I884-K886 VanDerWaalsContact C-N 3.31Å; I884-K886 PolarHBondContact O-N 3.06Å; K886-N888 VanDerWaalsContact C-N 3.34Å; K886-I889 PolarHBondContact O-N 3.07Å; K886-I890 HydrophobicContact CG-CD1 4.32Å; K886-I890 WeakPolarHBondContact O-CG1 3.49Å; K886-I890 PolarHBondContact O-N 3.41Å; K886-I890 VanDerWaalsContact O-N 3.17Å
887	A	92	Very high	91.1	Very high	28 Å²	28	77.2 Å²	77.2	23%	0.231	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-41.7	174.9	0	0	0	0	0	111.8	L883 I884 I889 I890 Q891	L883-A887 WeakPolarHBondContact O-CB 3.22Å; L883-A887 PolarHBondContact O-N 3.19Å; I884-A887 PolarHBondContact O-N 3.25Å; I884-A887 VanDerWaalsContact O-N 3.16Å; A887-I889 PolarHBondContact O-N 3.09Å; A887-I890 PolarHBondContact O-N 2.96Å; A887-Q891 VanDerWaalsContact O-CB 3.3Å; A887-Q891 WeakPolarHBondContact O-CB 3.36Å; A887-Q891 PolarHBondContact O-N 2.98Å
888	N	92.1	Very high	91.3	Very high	91 Å²	91	76 Å²	76	49%	0.487	37%	0.371	S	S	.	.	H	α-helix	trans	-63.8	-38.6	178	-69.9	-16	0	0	0	112.2	I884 N885 K886 Q891 L892	I884-N888 WeakPolarHBondContact O-CB 3.26Å; I884-N888 PolarHBondContact O-N 3.28Å; I884-N888 PolarHBondContact O-ND2 3.25Å; N885-N888 PolarHBondContact O-N 3.13Å; K886-N888 VanDerWaalsContact C-N 3.34Å; N888-Q891 PolarHBondContact O-N 3.44Å; N888-L892 VanDerWaalsContact O-CB 3.24Å; N888-L892 WeakPolarHBondContact O-CB 3.06Å; N888-L892 PolarHBondContact O-N 3.43Å
889	I	91	Very high	91.6	Very high	109 Å²	109	77 Å²	77	56%	0.559	38%	0.376	S	S	*	.	H	α-helix	trans	-64.4	-44.8	176	-68.1	163.4	0	0	0	110.8	N885 K886 A887 L892 N893	N885-I889 VanDerWaalsContact O-CG1 3.3Å; N885-I889 WeakPolarHBondContact O-CG1 3.36Å; N885-I889 PolarHBondContact O-N 3.02Å; K886-I889 PolarHBondContact O-N 3.07Å; A887-I889 PolarHBondContact O-N 3.09Å; I889-L892 PolarHBondContact O-N 2.86Å; I889-N893 PolarHBondContact O-N 2.89Å; I889-N893 VanDerWaalsContact O-N 3.1Å; I889-N893 PolarHBondContact O-ND2 3.32Å
890	I	90.3	Very high	91.7	Very high	23 Å²	23	78.7 Å²	78.7	12%	0.118	39%	0.386	C	S	.	.	H	α-helix	trans	-63.7	-45.3	177.4	-62.3	167.8	0	0	0	109.9	K886 A887 N893 Y894 L937 L941 H944	K886-I890 HydrophobicContact CG-CD1 4.32Å; K886-I890 WeakPolarHBondContact O-CG1 3.49Å; K886-I890 PolarHBondContact O-N 3.41Å; K886-I890 VanDerWaalsContact O-N 3.17Å; A887-I890 PolarHBondContact O-N 2.96Å; I890-N893 PolarHBondContact O-N 3.47Å; I890-Y894 WeakPolarHBondContact O-CB 3.38Å; I890-Y894 PolarHBondContact O-N 2.88Å; I890-L937 HydrophobicContact CG2-CD2 4.28Å; I890-L941 HydrophobicContact CG2-CB 4.01Å; I890-L941 HydrophobicContact CG2-CD1 4.24Å; I890-L941 HydrophobicContact CG2-CG 4.41Å; I890-H944 HydrophobicContact CD1-CB 4.32Å
891	Q	91.6	Very high	91.8	Very high	64 Å²	64	74.8 Å²	74.8	30%	0.299	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-45	178.1	-177.1	66.2	27.4	0	0	112.1	A887 N888 N893 Y894 E895 L941	A887-Q891 VanDerWaalsContact O-CB 3.3Å; A887-Q891 WeakPolarHBondContact O-CB 3.36Å; A887-Q891 PolarHBondContact O-N 2.98Å; N888-Q891 PolarHBondContact O-N 3.44Å; Q891-N893 VanDerWaalsContact C-N 3.34Å; Q891-N893 PolarHBondContact O-N 3.11Å; Q891-Y894 WeakPolarHBondContact O-CB 3.35Å; Q891-Y894 PolarHBondContact O-N 2.79Å; Q891-E895 WeakPolarHBondContact CG-OE1 3.48Å; Q891-E895 PolarHBondContact NE2-OE1 3.36Å; Q891-E895 WeakPolarHBondContact O-CG 3.39Å; Q891-E895 PolarHBondContact O-N 2.86Å; Q891-L941 HydrophobicContact CB-CD1 4.22Å
892	L	93.6	Very high	91.9	Very high	108 Å²	108	74 Å²	74	57%	0.565	37%	0.368	S	S	*	.	H	α-helix	trans	-63.4	-40.9	179.1	-174.2	148.6	0	0	0	111.4	N888 I889 K896	N888-L892 VanDerWaalsContact O-CB 3.24Å; N888-L892 WeakPolarHBondContact O-CB 3.06Å; N888-L892 PolarHBondContact O-N 3.43Å; I889-L892 PolarHBondContact O-N 2.86Å; L892-K896 WeakPolarHBondContact O-CB 3.11Å; L892-K896 PolarHBondContact O-N 3.23Å
893	N	91.2	Very high	92	Very high	75 Å²	75	72.3 Å²	72.3	40%	0.401	36%	0.363	S	S	.	.	H	α-helix	trans	-66.3	-39.1	174.5	-74	-24.7	0	0	0	111.8	I889 I890 Q891 K896 L897 L937	I889-N893 PolarHBondContact O-N 2.89Å; I889-N893 VanDerWaalsContact O-N 3.1Å; I889-N893 PolarHBondContact O-ND2 3.32Å; I890-N893 PolarHBondContact O-N 3.47Å; Q891-N893 VanDerWaalsContact C-N 3.34Å; Q891-N893 PolarHBondContact O-N 3.11Å; N893-K896 PolarHBondContact O-N 3.16Å; N893-L897 WeakPolarHBondContact O-CG 3.17Å; N893-L897 PolarHBondContact O-N 3.1Å; N893-L937 HydrophobicContact CB-CD1 3.9Å
894	Y	92.9	Very high	92	Very high	51 Å²	51	74.4 Å²	74.4	20%	0.2	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-48.7	176.4	174.2	-96.6	0	0	0	111.5	I890 Q891 K896 L897 I898 I934 L937 E938	I890-Y894 WeakPolarHBondContact O-CB 3.38Å; I890-Y894 PolarHBondContact O-N 2.88Å; Q891-Y894 WeakPolarHBondContact O-CB 3.35Å; Q891-Y894 PolarHBondContact O-N 2.79Å; Y894-K896 PolarHBondContact O-N 3.19Å; Y894-L897 PolarHBondContact O-N 2.82Å; Y894-I898 HydrophobicContact CD1-CD1 3.85Å; Y894-I898 HydrophobicContact CE1-CD1 3.22Å; Y894-I898 HydrophobicContact CE1-CG1 4.37Å; Y894-I898 HydrophobicContact CE2-CD1 4.04Å; Y894-I898 HydrophobicContact CG-CD1 4.47Å; Y894-I898 PolarHBondContact O-N 2.87Å; Y894-I934 HydrophobicContact CD2-CG2 4.15Å; Y894-I934 HydrophobicContact CE2-CG2 3.6Å; Y894-L937 HydrophobicContact CD2-CB 4.08Å; Y894-E938 HydrophobicContact CE2-CB 4.02Å
895	E	92.8	Very high	91.9	Very high	108 Å²	108	75 Å²	75	51%	0.505	37%	0.372	S	S	.	.	H	α-helix	trans	-60.6	-43.4	176.8	-73.4	172	-172.9	0	0	111.9	Q891 L897 I898 E899	Q891-E895 WeakPolarHBondContact CG-OE1 3.48Å; Q891-E895 PolarHBondContact NE2-OE1 3.36Å; Q891-E895 WeakPolarHBondContact O-CG 3.39Å; Q891-E895 PolarHBondContact O-N 2.86Å; E895-L897 VanDerWaalsContact C-N 3.33Å; E895-L897 PolarHBondContact O-N 2.83Å; E895-I898 PolarHBondContact O-N 3.18Å; E895-E899 WeakPolarHBondContact O-CB 3.46Å; E895-E899 PolarHBondContact O-N 2.93Å
896	K	93.9	Very high	91.9	Very high	123 Å²	123	76.7 Å²	76.7	54%	0.535	38%	0.375	S	S	.	.	H	α-helix	trans	-61.5	-39.8	176.7	-172.5	178	-178.4	-179.6	0	112.4	L892 N893 Y894 N900	L892-K896 WeakPolarHBondContact O-CB 3.11Å; L892-K896 PolarHBondContact O-N 3.23Å; N893-K896 PolarHBondContact O-N 3.16Å; Y894-K896 PolarHBondContact O-N 3.19Å; K896-N900 WeakPolarHBondContact O-CB 3.44Å; K896-N900 VanDerWaalsContact O-CG 3.27Å; K896-N900 PolarHBondContact O-N 3.25Å
897	L	91.6	Very high	91.9	Very high	32 Å²	32	77.2 Å²	77.2	17%	0.168	37%	0.374	C	S	.	.	H	α-helix	trans	-70.8	-37	176.6	-70.9	-174.4	0	0	0	112.4	N893 Y894 E895 N900 L901 L930 K933 I934 L937	N893-L897 WeakPolarHBondContact O-CG 3.17Å; N893-L897 PolarHBondContact O-N 3.1Å; Y894-L897 PolarHBondContact O-N 2.82Å; E895-L897 VanDerWaalsContact C-N 3.33Å; E895-L897 PolarHBondContact O-N 2.83Å; L897-N900 PolarHBondContact O-N 3.46Å; L897-L901 PolarHBondContact O-N 2.92Å; L897-L930 HydrophobicContact CD2-CD2 4Å; L897-K933 HydrophobicContact CD1-CB 3.57Å; L897-I934 HydrophobicContact CB-CD1 4.3Å; L897-I934 HydrophobicContact CB-CG1 3.7Å; L897-I934 HydrophobicContact CD1-CG1 4.44Å; L897-L937 HydrophobicContact CD1-CD1 3.62Å; L897-L937 HydrophobicContact CG-CD1 4.41Å
898	I	93.4	Very high	91.7	Very high	54 Å²	54	78 Å²	78	28%	0.277	37%	0.371	S	S	.	.	H	α-helix	trans	-63.2	-44.4	172.8	-73.7	179.8	0	0	0	110.9	Y894 E895 N900 L901 L902 I934	Y894-I898 HydrophobicContact CD1-CD1 3.85Å; Y894-I898 HydrophobicContact CE1-CD1 3.22Å; Y894-I898 HydrophobicContact CE1-CG1 4.37Å; Y894-I898 HydrophobicContact CE2-CD1 4.04Å; Y894-I898 HydrophobicContact CG-CD1 4.47Å; Y894-I898 PolarHBondContact O-N 2.87Å; E895-I898 PolarHBondContact O-N 3.18Å; I898-N900 VanDerWaalsContact C-N 3.31Å; I898-N900 PolarHBondContact O-N 2.92Å; I898-L901 PolarHBondContact O-N 2.85Å; I898-L902 HydrophobicContact CG2-CD1 4Å; I898-L902 HydrophobicContact CG2-CG 4.43Å; I898-L902 WeakPolarHBondContact O-CG 3.12Å; I898-L902 PolarHBondContact O-N 3.06Å; I898-I934 HydrophobicContact CG1-CD1 4.07Å; I898-I934 HydrophobicContact CG1-CG1 4.37Å; I898-I934 HydrophobicContact CG1-CG2 4.31Å
899	E	94.1	Very high	91.5	Very high	115 Å²	115	80.3 Å²	80.3	54%	0.537	38%	0.379	S	S	.	.	H	α-helix	trans	-60.1	-43.4	176.5	-169.3	-174.4	171.2	0	0	111	E895 L901 L902 N903	E895-E899 WeakPolarHBondContact O-CB 3.46Å; E895-E899 PolarHBondContact O-N 2.93Å; E899-L901 PolarHBondContact O-N 3.13Å; E899-L902 PolarHBondContact O-N 3.07Å; E899-N903 WeakPolarHBondContact O-CB 3.34Å; E899-N903 VanDerWaalsContact O-CG 3.24Å; E899-N903 PolarHBondContact O-N 3.32Å; E899-N903 PolarHBondContact O-ND2 3.21Å
900	N	92.1	Very high	91.3	Very high	67 Å²	67	82.1 Å²	82.1	36%	0.358	39%	0.389	S	S	.	.	H	α-helix	trans	-59.9	-43.3	174.7	-76.9	-15.2	0	0	0	112.4	K896 L897 I898 N903 K904 L930	K896-N900 WeakPolarHBondContact O-CB 3.44Å; K896-N900 VanDerWaalsContact O-CG 3.27Å; K896-N900 PolarHBondContact O-N 3.25Å; L897-N900 PolarHBondContact O-N 3.46Å; I898-N900 VanDerWaalsContact C-N 3.31Å; I898-N900 PolarHBondContact O-N 2.92Å; N900-N903 PolarHBondContact O-N 2.79Å; N900-K904 PolarHBondContact O-N 3.12Å; N900-L930 HydrophobicContact CB-CD2 4.4Å
901	L	92.4	Very high	91.1	Very high	19 Å²	19	83.4 Å²	83.4	10%	0.099	40%	0.396	C	S	.	.	H	α-helix	trans	-63.8	-45.1	177	-177.8	65.3	0	0	0	111.3	L897 I898 E899 N903 K904 Q905 C927 L930 L931 I934	L897-L901 PolarHBondContact O-N 2.92Å; I898-L901 PolarHBondContact O-N 2.85Å; E899-L901 PolarHBondContact O-N 3.13Å; L901-N903 VanDerWaalsContact C-N 3.34Å; L901-N903 PolarHBondContact O-N 2.97Å; L901-K904 PolarHBondContact O-N 2.66Å; L901-Q905 WeakPolarHBondContact O-CB 3.47Å; L901-Q905 WeakPolarHBondContact O-CG 3.41Å; L901-Q905 PolarHBondContact O-N 3.28Å; L901-C927 HydrophobicContact CD1-CB 4.4Å; L901-L930 HydrophobicContact CD1-CB 4.31Å; L901-L930 HydrophobicContact CD1-CD1 4.4Å; L901-L931 HydrophobicContact CD2-CD2 3.81Å; L901-L931 HydrophobicContact CD2-CG 4.2Å; L901-I934 HydrophobicContact CB-CD1 4.17Å; L901-I934 HydrophobicContact CD2-CD1 3.85Å
902	L	92.7	Very high	90.7	Very high	86 Å²	86	86.2 Å²	86.2	45%	0.45	41%	0.409	S	S	.	.	H	α-helix	trans	-62.5	-40.3	176.6	-73.4	171.4	0	0	0	112	I898 E899 Q905 K906	I898-L902 HydrophobicContact CG2-CD1 4Å; I898-L902 HydrophobicContact CG2-CG 4.43Å; I898-L902 WeakPolarHBondContact O-CG 3.12Å; I898-L902 PolarHBondContact O-N 3.06Å; E899-L902 PolarHBondContact O-N 3.07Å; L902-Q905 PolarHBondContact O-N 2.87Å; L902-K906 WeakPolarHBondContact O-CG 3.15Å; L902-K906 PolarHBondContact O-N 3.3Å
903	N	92.6	Very high	89.9	Confident	74 Å²	74	88.9 Å²	88.9	40%	0.396	42%	0.422	S	S	.	.	H	α-helix	trans	-65.6	-41.5	176.9	-73.8	-22.8	0	0	0	111.5	E899 N900 L901 K906 W907	E899-N903 WeakPolarHBondContact O-CB 3.34Å; E899-N903 VanDerWaalsContact O-CG 3.24Å; E899-N903 PolarHBondContact O-N 3.32Å; E899-N903 PolarHBondContact O-ND2 3.21Å; N900-N903 PolarHBondContact O-N 2.79Å; L901-N903 VanDerWaalsContact C-N 3.34Å; L901-N903 PolarHBondContact O-N 2.97Å; N903-K906 PolarHBondContact O-N 3.24Å; N903-W907 WeakPolarHBondContact O-CB 3.38Å; N903-W907 PolarHBondContact O-N 3.46Å
904	K	89.6	Confident	89.2	Confident	68 Å²	68	91.7 Å²	91.7	30%	0.296	44%	0.438	S	S	.	.	H	α-helix	trans	-64.6	-41.6	173.3	-75.3	-159.5	178	-168.6	0	112.1	N900 L901 K906 W907 Y908 Y923 D926 L930	N900-K904 PolarHBondContact O-N 3.12Å; L901-K904 PolarHBondContact O-N 2.66Å; K904-K906 PolarHBondContact O-N 3.31Å; K904-W907 WeakPolarHBondContact O-CB 3.3Å; K904-W907 PolarHBondContact O-N 2.97Å; K904-Y908 PolarHBondContact O-N 2.87Å; K904-Y923 HydrophobicContact CB-CE2 4.22Å; K904-Y923 WeakPolarHBondContact O-CE2 3.4Å; K904-D926 HydrophobicContact CD-CB 4.32Å; K904-D926 VanDerWaalsContact NZ-CB 3.32Å; K904-D926 IonicContact NZ-OD1 2.69Å; K904-D926 IonicContact NZ-OD2 3.95Å; K904-D926 PolarHBondContact NZ-OD2 2.84Å; K904-L930 HydrophobicContact CD-CD1 3.85Å
905	Q	90.3	Very high	88.5	Confident	78 Å²	78	91 Å²	91	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-62.9	-41.9	176.2	-74.9	177.3	-6.6	0	0	112.4	L901 L902 Y908 Q909	L901-Q905 WeakPolarHBondContact O-CB 3.47Å; L901-Q905 WeakPolarHBondContact O-CG 3.41Å; L901-Q905 PolarHBondContact O-N 3.28Å; L902-Q905 PolarHBondContact O-N 2.87Å; Q905-Y908 PolarHBondContact O-N 2.99Å; Q905-Q909 WeakPolarHBondContact O-CG 3.14Å; Q905-Q909 PolarHBondContact O-N 3.07Å
906	K	90.3	Very high	88.1	Confident	121 Å²	121	90 Å²	90	53%	0.526	44%	0.435	S	S	.	.	H	α-helix	trans	-63.1	-43.1	172.7	-73.7	176	-175.4	172.3	0	111.8	L902 N903 K904 Y908 Q909 L910	L902-K906 WeakPolarHBondContact O-CG 3.15Å; L902-K906 PolarHBondContact O-N 3.3Å; N903-K906 PolarHBondContact O-N 3.24Å; K904-K906 PolarHBondContact O-N 3.31Å; K906-Y908 VanDerWaalsContact C-N 3.3Å; K906-Y908 PolarHBondContact O-N 2.97Å; K906-Q909 PolarHBondContact O-N 3.05Å; K906-L910 WeakPolarHBondContact O-CG 3.22Å; K906-L910 PolarHBondContact O-N 3.03Å
907	W	88.8	Confident	87.6	Confident	127 Å²	127	93 Å²	93	48%	0.481	45%	0.448	S	S	.	.	H	α-helix	trans	-59.8	-41.4	176.4	179.6	92.8	0	0	0	111.5	N903 K904 L910 N911 L915	N903-W907 WeakPolarHBondContact O-CB 3.38Å; N903-W907 PolarHBondContact O-N 3.46Å; K904-W907 WeakPolarHBondContact O-CB 3.3Å; K904-W907 PolarHBondContact O-N 2.97Å; W907-L910 PolarHBondContact O-N 3.45Å; W907-N911 VanDerWaalsContact CD1-ND2 3.32Å; W907-N911 PolarHBondContact NE1-ND2 2.93Å; W907-N911 VanDerWaalsContact NE1-ND2 3.13Å; W907-N911 WeakPolarHBondContact O-CB 3.44Å; W907-N911 PolarHBondContact O-N 3.32Å; W907-N911 PolarHBondContact O-ND2 3.34Å; W907-L915 HydrophobicContact CH2-CD1 3.92Å; W907-L915 HydrophobicContact CH2-CD2 4.35Å; W907-L915 HydrophobicContact CH2-CG 4.48Å; W907-L915 HydrophobicContact CZ3-CD1 4.11Å; W907-L915 HydrophobicContact CZ3-CD2 4.11Å
908	Y	88.4	Confident	87	Confident	44 Å²	44	96.6 Å²	96.6	17%	0.173	46%	0.464	C	S	.	.	H	α-helix	trans	-65.2	-44.7	176.1	-174.3	-99.8	0	0	0	112.3	K904 Q905 K906 L910 N911 Q912 L915 E920 Y923	K904-Y908 PolarHBondContact O-N 2.87Å; Q905-Y908 PolarHBondContact O-N 2.99Å; K906-Y908 VanDerWaalsContact C-N 3.3Å; K906-Y908 PolarHBondContact O-N 2.97Å; Y908-L910 VanDerWaalsContact C-N 3.31Å; Y908-L910 PolarHBondContact O-N 3.17Å; Y908-N911 PolarHBondContact O-N 3.16Å; Y908-Q912 WeakPolarHBondContact O-CA 3.39Å; Y908-Q912 WeakPolarHBondContact O-CB 3.42Å; Y908-Q912 PolarHBondContact O-N 3.25Å; Y908-L915 HydrophobicContact CD2-CD2 3.88Å; Y908-L915 HydrophobicContact CE2-CD2 3.8Å; Y908-E920 HydrophobicContact CE2-CG 4.36Å; Y908-E920 PolarHBondContact OH-OE1 2.82Å; Y908-Y923 HydrophobicContact CD1-CE1 4.04Å; Y908-Y923 AromaticContact CD2-CD1 3.48Å; Y908-Y923 HydrophobicContact CD2-CD1 3.48Å; Y908-Y923 VanDerWaalsContact CD2-CD1 3.48Å; Y908-Y923 HydrophobicContact CD2-CD2 4Å; Y908-Y923 AromaticContact CD2-CE1 3.59Å; Y908-Y923 HydrophobicContact CD2-CE1 3.59Å; Y908-Y923 HydrophobicContact CD2-CE2 4.1Å; Y908-Y923 AromaticContact CD2-CG 3.69Å; Y908-Y923 HydrophobicContact CD2-CG 3.69Å; Y908-Y923 AromaticContact CD2-CZ 3.9Å; Y908-Y923 HydrophobicContact CE1-CE1 4.38Å; Y908-Y923 AromaticContact CE2-CD1 3.71Å; Y908-Y923 HydrophobicContact CE2-CD1 3.71Å; Y908-Y923 AromaticContact CE2-CE1 3.98Å; Y908-Y923 HydrophobicContact CE2-CE1 3.98Å; Y908-Y923 HydrophobicContact CE2-CG 4.22Å; Y908-Y923 HydrophobicContact CG-CD1 4.03Å; Y908-Y923 HydrophobicContact CG-CD2 4.34Å; Y908-Y923 AromaticContact CG-CE1 3.63Å; Y908-Y923 HydrophobicContact CG-CE1 3.63Å; Y908-Y923 AromaticContact CG-CE2 3.97Å; Y908-Y923 HydrophobicContact CG-CE2 3.97Å; Y908-Y923 HydrophobicContact CG-CG 4.36Å; Y908-Y923 AromaticContact CG-CZ 3.59Å
909	Q	87.1	Confident	86.6	Confident	141 Å²	141	97.1 Å²	97.1	66%	0.659	47%	0.468	S	S	*	.	H	α-helix	trans	-60.5	-38.1	176.4	-73.6	176.1	-3.4	0	0	112.9	Q905 K906	Q905-Q909 WeakPolarHBondContact O-CG 3.14Å; Q905-Q909 PolarHBondContact O-N 3.07Å; K906-Q909 PolarHBondContact O-N 3.05Å
910	L	88.3	Confident	86.1	Confident	147 Å²	147	95.7 Å²	95.7	77%	0.77	46%	0.461	S	S	*	.	H	α-helix	trans	-73.7	-33.4	178.7	-71	171	0	0	0	112.8	K906 W907 Y908	K906-L910 WeakPolarHBondContact O-CG 3.22Å; K906-L910 PolarHBondContact O-N 3.03Å; W907-L910 PolarHBondContact O-N 3.45Å; Y908-L910 VanDerWaalsContact C-N 3.31Å; Y908-L910 PolarHBondContact O-N 3.17Å
911	N	86.7	Confident	85.8	Confident	49 Å²	49	97.4 Å²	97.4	26%	0.262	47%	0.467	S	S	.	.	H	α-helix	trans	-101.9	4.3	-174.2	-64.8	-58.7	0	0	0	114.1	W907 Y908 I913 N914 L915	W907-N911 VanDerWaalsContact CD1-ND2 3.32Å; W907-N911 PolarHBondContact NE1-ND2 2.93Å; W907-N911 VanDerWaalsContact NE1-ND2 3.13Å; W907-N911 WeakPolarHBondContact O-CB 3.44Å; W907-N911 PolarHBondContact O-N 3.32Å; W907-N911 PolarHBondContact O-ND2 3.34Å; Y908-N911 PolarHBondContact O-N 3.16Å; N911-I913 PolarHBondContact O-N 2.86Å; N911-N914 PolarHBondContact O-N 2.85Å; N911-L915 HydrophobicContact CB-CD1 3.38Å; N911-L915 WeakPolarHBondContact O-CD1 3.2Å; N911-L915 PolarHBondContact O-N 2.99Å
912	Q	81.3	Confident	85.5	Confident	123 Å²	123	99.8 Å²	99.8	58%	0.575	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-32.5	-172.4	-165.7	175.4	16.6	0	0	114.1	Y908 N914	Y908-Q912 WeakPolarHBondContact O-CA 3.39Å; Y908-Q912 WeakPolarHBondContact O-CB 3.42Å; Y908-Q912 PolarHBondContact O-N 3.25Å; Q912-N914 VanDerWaalsContact C-N 3.32Å
913	I	77.9	Confident	85.3	Confident	164 Å²	164	97.1 Å²	97.1	84%	0.841	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.5	-179	-58.5	171.6	0	0	0	111.9	N911	N911-I913 PolarHBondContact O-N 2.86Å
914	N	77.3	Confident	85.1	Confident	134 Å²	134	97.7 Å²	97.7	72%	0.717	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	2.5	-171.8	-63.8	-26.5	0	0	0	113.9	N911 Q912	N911-N914 PolarHBondContact O-N 2.85Å; Q912-N914 VanDerWaalsContact C-N 3.32Å
915	L	76.8	Confident	85	Confident	37 Å²	37	98.4 Å²	98.4	19%	0.194	47%	0.472	C	S	.	.			trans	-83	134.7	-178.9	-103.8	79.3	0	0	0	112	W907 Y908 N911 N919	W907-L915 HydrophobicContact CH2-CD1 3.92Å; W907-L915 HydrophobicContact CH2-CD2 4.35Å; W907-L915 HydrophobicContact CH2-CG 4.48Å; W907-L915 HydrophobicContact CZ3-CD1 4.11Å; W907-L915 HydrophobicContact CZ3-CD2 4.11Å; Y908-L915 HydrophobicContact CD2-CD2 3.88Å; Y908-L915 HydrophobicContact CE2-CD2 3.8Å; N911-L915 HydrophobicContact CB-CD1 3.38Å; N911-L915 WeakPolarHBondContact O-CD1 3.2Å; N911-L915 PolarHBondContact O-N 2.99Å; L915-N919 HydrophobicContact CB-CB 4.45Å; L915-N919 HydrophobicContact CD2-CB 3.84Å; L915-N919 HydrophobicContact CG-CB 3.77Å
916	N	84.8	Confident	84.9	Confident	87 Å²	87	97.6 Å²	97.6	47%	0.465	47%	0.47	S	S	.	.			trans	-82.9	169	167.2	68.3	23.5	0	0	0	110.4	Q918 N919 E920	N916-Q918 VanDerWaalsContact C-N 3.27Å; N916-Q918 PolarHBondContact O-N 2.89Å; N916-Q918 PolarHBondContact OD1-N 2.85Å; N916-N919 PolarHBondContact O-N 3.05Å; N916-N919 WeakPolarHBondContact OD1-CB 3.49Å; N916-N919 PolarHBondContact OD1-N 2.79Å; N916-N919 PolarHBondContact OD1-ND2 3.33Å; N916-N919 PolarHBondContact OD1-OD1 3.14Å; N916-E920 PolarHBondContact O-N 3.49Å; N916-E920 VanDerWaalsContact O-N 3.12Å
917	K	82.6	Confident	84.9	Confident	186 Å²	186	92.3 Å²	92.3	81%	0.809	45%	0.449	S	S	*	.	H	α-helix	trans	-60.8	-32.2	-179.5	-70	-174.4	178	-179.3	0	113.7	E920 H921	K917-E920 PolarHBondContact O-N 2.93Å; K917-H921 PolarHBondContact O-N 3.16Å; K917-H921 VanDerWaalsContact O-N 3.07Å
918	Q	80.7	Confident	84.9	Confident	108 Å²	108	91.3 Å²	91.3	51%	0.505	45%	0.453	S	S	.	.	H	α-helix	trans	-69.4	-46.1	178.8	-174	60.9	38	0	0	111.2	N916 E920 H921 D922	N916-Q918 VanDerWaalsContact C-N 3.27Å; N916-Q918 PolarHBondContact O-N 2.89Å; N916-Q918 PolarHBondContact OD1-N 2.85Å; Q918-E920 PolarHBondContact O-N 2.88Å; Q918-H921 WeakPolarHBondContact O-CB 3.34Å; Q918-H921 PolarHBondContact O-N 2.97Å; Q918-D922 PolarHBondContact NE2-OD1 3.17Å; Q918-D922 VanDerWaalsContact O-CG 3.3Å; Q918-D922 PolarHBondContact O-N 3.34Å
919	N	83.7	Confident	85	Confident	65 Å²	65	93.7 Å²	93.7	35%	0.348	47%	0.466	S	S	.	.	H	α-helix	trans	-62.5	-33.8	177.4	-64.6	-8.1	0	0	0	111.2	L915 N916 Y923	L915-N919 HydrophobicContact CB-CB 4.45Å; L915-N919 HydrophobicContact CD2-CB 3.84Å; L915-N919 HydrophobicContact CG-CB 3.77Å; N916-N919 PolarHBondContact O-N 3.05Å; N916-N919 WeakPolarHBondContact OD1-CB 3.49Å; N916-N919 PolarHBondContact OD1-N 2.79Å; N916-N919 PolarHBondContact OD1-ND2 3.33Å; N916-N919 PolarHBondContact OD1-OD1 3.14Å; N919-Y923 VanDerWaalsContact O-CB 3.24Å; N919-Y923 WeakPolarHBondContact O-CB 3.35Å; N919-Y923 PolarHBondContact O-N 3.38Å
920	E	84.4	Confident	85.2	Confident	85 Å²	85	88 Å²	88	40%	0.397	44%	0.439	S	S	.	.	H	α-helix	trans	-66.8	-42.7	172.6	-170.6	177.5	-173.4	0	0	111.3	Y908 N916 K917 Q918 Y923 L924	Y908-E920 HydrophobicContact CE2-CG 4.36Å; Y908-E920 PolarHBondContact OH-OE1 2.82Å; N916-E920 PolarHBondContact O-N 3.49Å; N916-E920 VanDerWaalsContact O-N 3.12Å; K917-E920 PolarHBondContact O-N 2.93Å; Q918-E920 PolarHBondContact O-N 2.88Å; E920-Y923 PolarHBondContact O-N 3.27Å; E920-L924 VanDerWaalsContact O-CG 3.31Å; E920-L924 WeakPolarHBondContact O-CG 3.41Å; E920-L924 PolarHBondContact O-N 3.02Å
921	H	85.3	Confident	85.4	Confident	103 Å²	103	84.4 Å²	84.4	48%	0.477	42%	0.421	S	S	.	.	H	α-helix	trans	-64.1	-46.8	176.5	-169.1	69.9	0	0	0	112.5	K917 Q918 Y923 L924 I925	K917-H921 PolarHBondContact O-N 3.16Å; K917-H921 VanDerWaalsContact O-N 3.07Å; Q918-H921 WeakPolarHBondContact O-CB 3.34Å; Q918-H921 PolarHBondContact O-N 2.97Å; H921-Y923 VanDerWaalsContact C-N 3.31Å; H921-Y923 PolarHBondContact O-N 3.3Å; H921-L924 WeakPolarHBondContact O-CB 3.19Å; H921-L924 PolarHBondContact O-N 3.11Å; H921-L924 VanDerWaalsContact O-N 3.1Å; H921-I925 PolarHBondContact O-N 2.84Å
922	D	85.5	Confident	85.6	Confident	68 Å²	68	88.6 Å²	88.6	36%	0.364	44%	0.437	S	S	.	.	H	α-helix	trans	-62	-40.8	178.2	-64.3	-15.5	0	0	0	110.9	Q918 L924 I925 D926	Q918-D922 PolarHBondContact NE2-OD1 3.17Å; Q918-D922 VanDerWaalsContact O-CG 3.3Å; Q918-D922 PolarHBondContact O-N 3.34Å; D922-L924 VanDerWaalsContact C-N 3.33Å; D922-L924 PolarHBondContact O-N 3.38Å; D922-I925 PolarHBondContact O-N 3.27Å; D922-D926 WeakPolarHBondContact O-CB 3.18Å; D922-D926 PolarHBondContact O-N 3.25Å
923	Y	89	Confident	86.2	Confident	30 Å²	30	87 Å²	87	12%	0.118	43%	0.428	C	S	.	.	H	α-helix	trans	-60.3	-39.6	173.4	169.1	-98.5	0	0	0	112.7	K904 Y908 N919 E920 H921 C927	K904-Y923 HydrophobicContact CB-CE2 4.22Å; K904-Y923 WeakPolarHBondContact O-CE2 3.4Å; Y908-Y923 HydrophobicContact CD1-CE1 4.04Å; Y908-Y923 AromaticContact CD2-CD1 3.48Å; Y908-Y923 HydrophobicContact CD2-CD1 3.48Å; Y908-Y923 VanDerWaalsContact CD2-CD1 3.48Å; Y908-Y923 HydrophobicContact CD2-CD2 4Å; Y908-Y923 AromaticContact CD2-CE1 3.59Å; Y908-Y923 HydrophobicContact CD2-CE1 3.59Å; Y908-Y923 HydrophobicContact CD2-CE2 4.1Å; Y908-Y923 AromaticContact CD2-CG 3.69Å; Y908-Y923 HydrophobicContact CD2-CG 3.69Å; Y908-Y923 AromaticContact CD2-CZ 3.9Å; Y908-Y923 HydrophobicContact CE1-CE1 4.38Å; Y908-Y923 AromaticContact CE2-CD1 3.71Å; Y908-Y923 HydrophobicContact CE2-CD1 3.71Å; Y908-Y923 AromaticContact CE2-CE1 3.98Å; Y908-Y923 HydrophobicContact CE2-CE1 3.98Å; Y908-Y923 HydrophobicContact CE2-CG 4.22Å; Y908-Y923 HydrophobicContact CG-CD1 4.03Å; Y908-Y923 HydrophobicContact CG-CD2 4.34Å; Y908-Y923 AromaticContact CG-CE1 3.63Å; Y908-Y923 HydrophobicContact CG-CE1 3.63Å; Y908-Y923 AromaticContact CG-CE2 3.97Å; Y908-Y923 HydrophobicContact CG-CE2 3.97Å; Y908-Y923 HydrophobicContact CG-CG 4.36Å; Y908-Y923 AromaticContact CG-CZ 3.59Å; N919-Y923 VanDerWaalsContact O-CB 3.24Å; N919-Y923 WeakPolarHBondContact O-CB 3.35Å; N919-Y923 PolarHBondContact O-N 3.38Å; E920-Y923 PolarHBondContact O-N 3.27Å; H921-Y923 VanDerWaalsContact C-N 3.31Å; H921-Y923 PolarHBondContact O-N 3.3Å; Y923-C927 WeakPolarHBondContact CE2-SG 3.42Å; Y923-C927 WeakPolarHBondContact O-CB 3.28Å; Y923-C927 PolarHBondContact O-N 3.39Å; Y923-C927 PolarHBondContact O-SG 3.45Å
924	L	88.4	Confident	86.9	Confident	86 Å²	86	79.9 Å²	79.9	45%	0.45	39%	0.391	S	S	.	.	H	α-helix	trans	-68.4	-42	178.1	-71.9	172.1	0	0	0	112	E920 H921 D922 C927 N928	E920-L924 VanDerWaalsContact O-CG 3.31Å; E920-L924 WeakPolarHBondContact O-CG 3.41Å; E920-L924 PolarHBondContact O-N 3.02Å; H921-L924 WeakPolarHBondContact O-CB 3.19Å; H921-L924 PolarHBondContact O-N 3.11Å; H921-L924 VanDerWaalsContact O-N 3.1Å; D922-L924 VanDerWaalsContact C-N 3.33Å; D922-L924 PolarHBondContact O-N 3.38Å; L924-C927 PolarHBondContact O-N 2.89Å; L924-N928 WeakPolarHBondContact O-CB 3.43Å; L924-N928 VanDerWaalsContact O-CG 3.32Å; L924-N928 PolarHBondContact O-N 2.86Å; L924-N928 PolarHBondContact O-ND2 3.33Å
925	I	88.5	Confident	87.6	Confident	83 Å²	83	79.2 Å²	79.2	43%	0.426	38%	0.384	S	S	.	.	H	α-helix	trans	-59.1	-50.2	174.3	-67.5	171.5	0	0	0	109.8	H921 D922 C927 N928 E929	H921-I925 PolarHBondContact O-N 2.84Å; D922-I925 PolarHBondContact O-N 3.27Å; I925-C927 VanDerWaalsContact C-N 3.34Å; I925-C927 PolarHBondContact O-N 2.8Å; I925-N928 PolarHBondContact O-N 2.75Å; I925-E929 PolarHBondContact O-N 3.11Å
926	D	87.1	Confident	88.3	Confident	61 Å²	61	80.3 Å²	80.3	33%	0.326	39%	0.392	S	S	.	.	H	α-helix	trans	-58.7	-43	179.3	-85.1	-15.9	0	0	0	112.9	K904 D922 L930	K904-D926 HydrophobicContact CD-CB 4.32Å; K904-D926 VanDerWaalsContact NZ-CB 3.32Å; K904-D926 IonicContact NZ-OD1 2.69Å; K904-D926 IonicContact NZ-OD2 3.95Å; K904-D926 PolarHBondContact NZ-OD2 2.84Å; D922-D926 WeakPolarHBondContact O-CB 3.18Å; D922-D926 PolarHBondContact O-N 3.25Å; D926-L930 WeakPolarHBondContact O-CB 3.1Å; D926-L930 WeakPolarHBondContact O-CG 3.39Å; D926-L930 PolarHBondContact O-N 2.83Å
927	C	89.8	Confident	88.7	Confident	11 Å²	11	77.4 Å²	77.4	7%	0.074	38%	0.377	C	S	.	.	H	α-helix	trans	-65.5	-41.2	177.2	-74	0	0	0	0	111.8	L901 Y923 L924 I925 L930 L931	L901-C927 HydrophobicContact CD1-CB 4.4Å; Y923-C927 WeakPolarHBondContact CE2-SG 3.42Å; Y923-C927 WeakPolarHBondContact O-CB 3.28Å; Y923-C927 PolarHBondContact O-N 3.39Å; Y923-C927 PolarHBondContact O-SG 3.45Å; L924-C927 PolarHBondContact O-N 2.89Å; I925-C927 VanDerWaalsContact C-N 3.34Å; I925-C927 PolarHBondContact O-N 2.8Å; C927-L930 PolarHBondContact O-N 2.96Å; C927-L931 WeakPolarHBondContact O-CB 3.05Å; C927-L931 WeakPolarHBondContact O-CD1 3.23Å; C927-L931 VanDerWaalsContact O-CG 3.28Å; C927-L931 WeakPolarHBondContact O-CG 3.22Å; C927-L931 PolarHBondContact O-N 2.9Å
928	N	89.3	Confident	89.1	Confident	105 Å²	105	73.7 Å²	73.7	56%	0.561	36%	0.362	S	S	*	.	H	α-helix	trans	-64.6	-42.4	177.5	-76.1	-30.4	0	0	0	111.7	L924 I925 L931 F932	L924-N928 WeakPolarHBondContact O-CB 3.43Å; L924-N928 VanDerWaalsContact O-CG 3.32Å; L924-N928 PolarHBondContact O-N 2.86Å; L924-N928 PolarHBondContact O-ND2 3.33Å; I925-N928 PolarHBondContact O-N 2.75Å; N928-L931 PolarHBondContact O-N 3.5Å; N928-F932 WeakPolarHBondContact O-CB 3.39Å; N928-F932 PolarHBondContact O-N 3.17Å
929	E	91.1	Very high	89.6	Confident	95 Å²	95	72.2 Å²	72.2	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-42.9	177.1	-163	-166.8	154.5	0	0	111.7	I925 F932 K933	I925-E929 PolarHBondContact O-N 3.11Å; E929-F932 PolarHBondContact O-N 2.71Å; E929-K933 WeakPolarHBondContact O-CG 3.38Å; E929-K933 PolarHBondContact O-N 3.2Å; E929-K933 VanDerWaalsContact O-N 3.11Å; E929-K933 VanDerWaalsContact OE1-CE 3.24Å; E929-K933 WeakPolarHBondContact OE1-CE 3.45Å; E929-K933 IonicContact OE1-NZ 3.11Å; E929-K933 PolarHBondContact OE1-NZ 2.63Å
930	L	91.5	Very high	90	Very high	20 Å²	20	73 Å²	73	11%	0.105	37%	0.368	C	S	.	.	H	α-helix	trans	-63.2	-45.2	175.3	-76.5	171.5	0	0	0	111.9	L897 N900 L901 K904 D926 C927 F932 K933 I934	L897-L930 HydrophobicContact CD2-CD2 4Å; N900-L930 HydrophobicContact CB-CD2 4.4Å; L901-L930 HydrophobicContact CD1-CB 4.31Å; L901-L930 HydrophobicContact CD1-CD1 4.4Å; K904-L930 HydrophobicContact CD-CD1 3.85Å; D926-L930 WeakPolarHBondContact O-CB 3.1Å; D926-L930 WeakPolarHBondContact O-CG 3.39Å; D926-L930 PolarHBondContact O-N 2.83Å; C927-L930 PolarHBondContact O-N 2.96Å; L930-F932 VanDerWaalsContact C-N 3.35Å; L930-F932 PolarHBondContact O-N 3.16Å; L930-K933 PolarHBondContact O-N 3.24Å; L930-I934 VanDerWaalsContact O-CG1 3.26Å; L930-I934 WeakPolarHBondContact O-CG1 3.43Å; L930-I934 PolarHBondContact O-N 3.03Å
931	L	91.8	Very high	90.3	Very high	72 Å²	72	71.2 Å²	71.2	38%	0.377	36%	0.361	S	S	.	.	H	α-helix	trans	-60.4	-43.2	177.4	-79.1	164.4	0	0	0	111.8	L901 C927 N928 K933 I934 Q935	L901-L931 HydrophobicContact CD2-CD2 3.81Å; L901-L931 HydrophobicContact CD2-CG 4.2Å; C927-L931 WeakPolarHBondContact O-CB 3.05Å; C927-L931 WeakPolarHBondContact O-CD1 3.23Å; C927-L931 VanDerWaalsContact O-CG 3.28Å; C927-L931 WeakPolarHBondContact O-CG 3.22Å; C927-L931 PolarHBondContact O-N 2.9Å; N928-L931 PolarHBondContact O-N 3.5Å; L931-K933 PolarHBondContact O-N 3.49Å; L931-I934 PolarHBondContact O-N 3Å; L931-Q935 WeakPolarHBondContact O-CG 3.24Å; L931-Q935 PolarHBondContact O-N 3.42Å
932	F	91.7	Very high	90.6	Very high	137 Å²	137	71.6 Å²	71.6	60%	0.601	37%	0.366	S	S	*	.	H	α-helix	trans	-60.9	-43.7	176.7	180	-100.8	0	0	0	112.1	N928 E929 L930 Q935 T936	N928-F932 WeakPolarHBondContact O-CB 3.39Å; N928-F932 PolarHBondContact O-N 3.17Å; E929-F932 PolarHBondContact O-N 2.71Å; L930-F932 VanDerWaalsContact C-N 3.35Å; L930-F932 PolarHBondContact O-N 3.16Å; F932-Q935 PolarHBondContact O-N 2.83Å; F932-T936 WeakPolarHBondContact O-CB 3.38Å; F932-T936 PolarHBondContact O-N 3.43Å; F932-T936 PolarHBondContact O-OG1 2.93Å
933	K	92.2	Very high	90.8	Very high	90 Å²	90	71.2 Å²	71.2	39%	0.391	36%	0.363	S	S	.	.	H	α-helix	trans	-65.1	-40.1	176	-69.7	175.2	-175.8	169	0	112.1	L897 E929 L930 L931 T936 L937	L897-K933 HydrophobicContact CD1-CB 3.57Å; E929-K933 WeakPolarHBondContact O-CG 3.38Å; E929-K933 PolarHBondContact O-N 3.2Å; E929-K933 VanDerWaalsContact O-N 3.11Å; E929-K933 VanDerWaalsContact OE1-CE 3.24Å; E929-K933 WeakPolarHBondContact OE1-CE 3.45Å; E929-K933 IonicContact OE1-NZ 3.11Å; E929-K933 PolarHBondContact OE1-NZ 2.63Å; L930-K933 PolarHBondContact O-N 3.24Å; L931-K933 PolarHBondContact O-N 3.49Å; K933-T936 PolarHBondContact O-N 2.67Å; K933-L937 WeakPolarHBondContact O-CG 3.41Å; K933-L937 PolarHBondContact O-N 3.38Å
934	I	92.9	Very high	91	Very high	14 Å²	14	70.8 Å²	70.8	7%	0.072	36%	0.362	C	S	.	.	H	α-helix	trans	-61.5	-48.6	175.9	-70.8	165.7	0	0	0	110.6	Y894 L897 I898 L901 L930 L931 T936 L937 E938	Y894-I934 HydrophobicContact CD2-CG2 4.15Å; Y894-I934 HydrophobicContact CE2-CG2 3.6Å; L897-I934 HydrophobicContact CB-CD1 4.3Å; L897-I934 HydrophobicContact CB-CG1 3.7Å; L897-I934 HydrophobicContact CD1-CG1 4.44Å; I898-I934 HydrophobicContact CG1-CD1 4.07Å; I898-I934 HydrophobicContact CG1-CG1 4.37Å; I898-I934 HydrophobicContact CG1-CG2 4.31Å; L901-I934 HydrophobicContact CB-CD1 4.17Å; L901-I934 HydrophobicContact CD2-CD1 3.85Å; L930-I934 VanDerWaalsContact O-CG1 3.26Å; L930-I934 WeakPolarHBondContact O-CG1 3.43Å; L930-I934 PolarHBondContact O-N 3.03Å; L931-I934 PolarHBondContact O-N 3Å; I934-T936 VanDerWaalsContact C-N 3.29Å; I934-T936 PolarHBondContact O-N 3.38Å; I934-L937 PolarHBondContact O-N 2.88Å; I934-E938 WeakPolarHBondContact O-CB 3.32Å; I934-E938 PolarHBondContact O-N 3.25Å
935	Q	92.5	Very high	91	Very high	120 Å²	120	72.8 Å²	72.8	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-60.7	-38.8	176.8	-73.4	176.3	-9.9	0	0	112.1	L931 F932 E938 S939	L931-Q935 WeakPolarHBondContact O-CG 3.24Å; L931-Q935 PolarHBondContact O-N 3.42Å; F932-Q935 PolarHBondContact O-N 2.83Å; Q935-E938 PolarHBondContact O-N 3.12Å; Q935-S939 WeakPolarHBondContact O-CB 3.29Å; Q935-S939 PolarHBondContact O-N 3.44Å
936	T	91.3	Very high	91.1	Very high	60 Å²	60	73.6 Å²	73.6	37%	0.368	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-45.4	176.5	-56.5	0	0	0	0	111.3	F932 K933 I934 S939 L940	F932-T936 WeakPolarHBondContact O-CB 3.38Å; F932-T936 PolarHBondContact O-N 3.43Å; F932-T936 PolarHBondContact O-OG1 2.93Å; K933-T936 PolarHBondContact O-N 2.67Å; I934-T936 VanDerWaalsContact C-N 3.29Å; I934-T936 PolarHBondContact O-N 3.38Å; T936-S939 PolarHBondContact O-N 2.86Å; T936-L940 HydrophobicContact CG2-CD1 4.16Å; T936-L940 WeakPolarHBondContact O-CB 3.39Å; T936-L940 VanDerWaalsContact O-CG 3.3Å; T936-L940 WeakPolarHBondContact O-CG 3.44Å; T936-L940 PolarHBondContact O-N 2.95Å
937	L	92.8	Very high	91.1	Very high	27 Å²	27	75.4 Å²	75.4	14%	0.141	38%	0.377	C	S	.	.	H	α-helix	trans	-66.5	-36.6	176.4	-71.7	179.5	0	0	0	112.4	I890 N893 Y894 L897 K933 I934 L940 L941	I890-L937 HydrophobicContact CG2-CD2 4.28Å; N893-L937 HydrophobicContact CB-CD1 3.9Å; Y894-L937 HydrophobicContact CD2-CB 4.08Å; L897-L937 HydrophobicContact CD1-CD1 3.62Å; L897-L937 HydrophobicContact CG-CD1 4.41Å; K933-L937 WeakPolarHBondContact O-CG 3.41Å; K933-L937 PolarHBondContact O-N 3.38Å; I934-L937 PolarHBondContact O-N 2.88Å; L937-L940 HydrophobicContact CD2-CD1 4.21Å; L937-L940 PolarHBondContact O-N 3.16Å; L937-L941 WeakPolarHBondContact O-CB 3.34Å; L937-L941 PolarHBondContact O-N 3.26Å
938	E	91.5	Very high	91.1	Very high	108 Å²	108	75.7 Å²	75.7	51%	0.505	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-47	174.2	-172.7	176.4	-174.7	0	0	111.3	Y894 I934 Q935 L941 L942	Y894-E938 HydrophobicContact CE2-CB 4.02Å; I934-E938 WeakPolarHBondContact O-CB 3.32Å; I934-E938 PolarHBondContact O-N 3.25Å; Q935-E938 PolarHBondContact O-N 3.12Å; E938-L941 PolarHBondContact O-N 3.44Å; E938-L942 PolarHBondContact O-N 2.95Å
939	S	91.1	Very high	91.1	Very high	76 Å²	76	76.8 Å²	76.8	53%	0.531	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-44.5	174.5	-175	0	0	0	0	111.8	Q935 T936 L941 L942 D943	Q935-S939 WeakPolarHBondContact O-CB 3.29Å; Q935-S939 PolarHBondContact O-N 3.44Å; T936-S939 PolarHBondContact O-N 2.86Å; S939-L941 VanDerWaalsContact C-N 3.33Å; S939-L941 PolarHBondContact O-N 3.45Å; S939-L942 PolarHBondContact O-N 3.46Å; S939-D943 WeakPolarHBondContact O-CB 3.21Å; S939-D943 PolarHBondContact O-N 3.2Å
940	L	91.9	Very high	90.9	Very high	83 Å²	83	78.5 Å²	78.5	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-62	-38.2	175.7	-77.5	169	0	0	0	112.4	T936 L937 H944	T936-L940 HydrophobicContact CG2-CD1 4.16Å; T936-L940 WeakPolarHBondContact O-CB 3.39Å; T936-L940 VanDerWaalsContact O-CG 3.3Å; T936-L940 WeakPolarHBondContact O-CG 3.44Å; T936-L940 PolarHBondContact O-N 2.95Å; L937-L940 HydrophobicContact CD2-CD1 4.21Å; L937-L940 PolarHBondContact O-N 3.16Å; L940-H944 WeakPolarHBondContact O-CB 3.42Å; L940-H944 PolarHBondContact O-N 2.79Å
941	L	91.7	Very high	90.8	Very high	47 Å²	47	83 Å²	83	25%	0.246	41%	0.407	C	S	.	.	H	α-helix	trans	-69.7	-40.9	178.1	-161.7	152	0	0	0	111	I890 Q891 L937 E938 S939 H944 K945	I890-L941 HydrophobicContact CG2-CB 4.01Å; I890-L941 HydrophobicContact CG2-CD1 4.24Å; I890-L941 HydrophobicContact CG2-CG 4.41Å; Q891-L941 HydrophobicContact CB-CD1 4.22Å; L937-L941 WeakPolarHBondContact O-CB 3.34Å; L937-L941 PolarHBondContact O-N 3.26Å; E938-L941 PolarHBondContact O-N 3.44Å; S939-L941 VanDerWaalsContact C-N 3.33Å; S939-L941 PolarHBondContact O-N 3.45Å; L941-H944 PolarHBondContact O-N 3.25Å; L941-K945 WeakPolarHBondContact O-CB 3.48Å; L941-K945 PolarHBondContact O-N 2.91Å
942	L	91.3	Very high	90.7	Very high	111 Å²	111	83.1 Å²	83.1	58%	0.581	40%	0.403	S	S	*	.	H	α-helix	trans	-62.6	-48.5	174.5	-176.8	65.1	0	0	0	111.5	E938 S939 K945 L946	E938-L942 PolarHBondContact O-N 2.95Å; S939-L942 PolarHBondContact O-N 3.46Å; L942-K945 WeakPolarHBondContact O-CB 3.47Å; L942-K945 PolarHBondContact O-N 3.07Å; L942-L946 PolarHBondContact O-N 3.17Å; L942-L946 VanDerWaalsContact O-N 3.14Å
943	D	89.8	Confident	90.6	Very high	59 Å²	59	83.5 Å²	83.5	32%	0.316	40%	0.404	S	S	.	.	H	α-helix	trans	-63.1	-43.6	177.5	-177.4	49.3	0	0	0	111.4	S939 K945 L946 K947	S939-D943 WeakPolarHBondContact O-CB 3.21Å; S939-D943 PolarHBondContact O-N 3.2Å; D943-K945 VanDerWaalsContact C-N 3.3Å; D943-K945 PolarHBondContact O-N 2.97Å; D943-L946 PolarHBondContact O-N 3.12Å; D943-L946 VanDerWaalsContact O-N 3.16Å; D943-K947 WeakPolarHBondContact O-CB 3.49Å; D943-K947 PolarHBondContact O-N 2.59Å; D943-K947 WeakPolarHBondContact OD1-CE 3.11Å; D943-K947 IonicContact OD1-NZ 2.72Å; D943-K947 PolarHBondContact OD1-NZ 2.79Å; D943-K947 WeakPolarHBondContact OD2-CD 3.33Å; D943-K947 VanDerWaalsContact OD2-CE 3.27Å; D943-K947 WeakPolarHBondContact OD2-CE 3.29Å; D943-K947 IonicContact OD2-NZ 3.51Å; D943-K947 PolarHBondContact OD2-NZ 3.26Å
944	H	92.1	Very high	90.3	Very high	21 Å²	21	84 Å²	84	10%	0.097	41%	0.408	C	S	.	.	H	α-helix	trans	-59.3	-40.3	174.2	-175.9	-88.1	0	0	0	111.6	L883 I890 L940 L941 L946 A948	L883-H944 PolarHBondContact O-CE1 3.22Å; I890-H944 HydrophobicContact CD1-CB 4.32Å; L940-H944 WeakPolarHBondContact O-CB 3.42Å; L940-H944 PolarHBondContact O-N 2.79Å; L941-H944 PolarHBondContact O-N 3.25Å; H944-L946 VanDerWaalsContact C-N 3.32Å; H944-L946 PolarHBondContact O-N 3.06Å; H944-A948 WeakPolarHBondContact O-CA 3.48Å; H944-A948 WeakPolarHBondContact O-CB 3.43Å; H944-A948 PolarHBondContact O-N 3.46Å
945	K	89.3	Confident	90	Very high	128 Å²	128	84.5 Å²	84.5	56%	0.557	41%	0.41	S	S	*	.	H	α-helix	trans	-65.1	-33.2	177.6	-172.2	177.6	-178.1	177.4	0	112.9	L941 L942 D943	L941-K945 WeakPolarHBondContact O-CB 3.48Å; L941-K945 PolarHBondContact O-N 2.91Å; L942-K945 WeakPolarHBondContact O-CB 3.47Å; L942-K945 PolarHBondContact O-N 3.07Å; D943-K945 VanDerWaalsContact C-N 3.3Å; D943-K945 PolarHBondContact O-N 2.97Å
946	L	89.5	Confident	89.7	Confident	101 Å²	101	81.4 Å²	81.4	53%	0.529	40%	0.396	S	S	.	.	H	α-helix	trans	-73.8	-55.4	174.5	-66.8	175	0	0	0	110.6	L942 D943 H944 A948 K949 E950	L942-L946 PolarHBondContact O-N 3.17Å; L942-L946 VanDerWaalsContact O-N 3.14Å; D943-L946 PolarHBondContact O-N 3.12Å; D943-L946 VanDerWaalsContact O-N 3.16Å; H944-L946 VanDerWaalsContact C-N 3.32Å; H944-L946 PolarHBondContact O-N 3.06Å; L946-A948 VanDerWaalsContact C-N 3.31Å; L946-A948 PolarHBondContact O-N 3.21Å; L946-K949 PolarHBondContact O-N 2.88Å; L946-K949 VanDerWaalsContact O-N 3.16Å; L946-E950 PolarHBondContact O-N 3.02Å
947	K	89	Confident	89.5	Confident	98 Å²	98	86.3 Å²	86.3	43%	0.426	41%	0.412	S	S	.	.	H	α-helix	trans	-62.5	-34.1	-179	-71.9	177.3	177.3	163.1	0	113	D943 K949 E950 K951	D943-K947 WeakPolarHBondContact O-CB 3.49Å; D943-K947 PolarHBondContact O-N 2.59Å; D943-K947 WeakPolarHBondContact OD1-CE 3.11Å; D943-K947 IonicContact OD1-NZ 2.72Å; D943-K947 PolarHBondContact OD1-NZ 2.79Å; D943-K947 WeakPolarHBondContact OD2-CD 3.33Å; D943-K947 VanDerWaalsContact OD2-CE 3.27Å; D943-K947 WeakPolarHBondContact OD2-CE 3.29Å; D943-K947 IonicContact OD2-NZ 3.51Å; D943-K947 PolarHBondContact OD2-NZ 3.26Å; K947-K949 VanDerWaalsContact C-N 3.32Å; K947-K949 PolarHBondContact O-N 3.22Å; K947-E950 PolarHBondContact O-N 2.74Å; K947-K951 WeakPolarHBondContact O-CB 3.37Å; K947-K951 WeakPolarHBondContact O-CG 3.5Å; K947-K951 PolarHBondContact O-N 3.15Å
948	A	89.3	Confident	89.1	Confident	17 Å²	17	89.6 Å²	89.6	14%	0.14	43%	0.426	C	S	.	.	H	α-helix	trans	-61.5	-40.1	177.1	0	0	0	0	0	112	L883 H944 L946 Y952	L883-A948 HydrophobicContact CB-CB 4.46Å; L883-A948 HydrophobicContact CD1-CB 4.04Å; L883-A948 HydrophobicContact CD2-CB 3.96Å; L883-A948 HydrophobicContact CG-CB 4.38Å; H944-A948 WeakPolarHBondContact O-CA 3.48Å; H944-A948 WeakPolarHBondContact O-CB 3.43Å; H944-A948 PolarHBondContact O-N 3.46Å; L946-A948 VanDerWaalsContact C-N 3.31Å; L946-A948 PolarHBondContact O-N 3.21Å; A948-Y952 VanDerWaalsContact O-CB 3.3Å; A948-Y952 WeakPolarHBondContact O-CB 3.34Å; A948-Y952 PolarHBondContact O-N 3.13Å
949	K	88.5	Confident	88.7	Confident	129 Å²	129	84.5 Å²	84.5	56%	0.561	40%	0.402	S	S	*	.	H	α-helix	trans	-67.4	-39.2	176.3	-69	178.3	-179.3	-178.5	0	111.6	L946 K947 K953	L946-K949 PolarHBondContact O-N 2.88Å; L946-K949 VanDerWaalsContact O-N 3.16Å; K947-K949 VanDerWaalsContact C-N 3.32Å; K947-K949 PolarHBondContact O-N 3.22Å; K949-K953 WeakPolarHBondContact O-CB 3.32Å; K949-K953 VanDerWaalsContact O-CG 3.31Å; K949-K953 WeakPolarHBondContact O-CG 3.35Å; K949-K953 PolarHBondContact O-N 2.83Å; K949-K953 VanDerWaalsContact O-N 3.08Å
950	E	88.2	Confident	88.3	Confident	131 Å²	131	87 Å²	87	61%	0.612	40%	0.403	S	S	*	.	H	α-helix	trans	-66	-50.3	176.9	-67.3	178.2	164	0	0	111	L946 K947 Y952 K953 E954	L946-E950 PolarHBondContact O-N 3.02Å; K947-E950 PolarHBondContact O-N 2.74Å; E950-Y952 VanDerWaalsContact C-N 3.33Å; E950-Y952 PolarHBondContact O-N 3.15Å; E950-K953 PolarHBondContact O-N 3.2Å; E950-E954 WeakPolarHBondContact O-CB 3.32Å; E950-E954 PolarHBondContact O-N 2.97Å
951	K	88.2	Confident	87.8	Confident	115 Å²	115	86.9 Å²	86.9	50%	0.5	41%	0.414	S	S	.	.	H	α-helix	trans	-58.3	-42.8	176.9	-74.3	-172.7	175	-164.2	0	112.7	K947 E954 L955	K947-K951 WeakPolarHBondContact O-CB 3.37Å; K947-K951 WeakPolarHBondContact O-CG 3.5Å; K947-K951 PolarHBondContact O-N 3.15Å; K951-E954 PolarHBondContact O-N 3.1Å; K951-L955 PolarHBondContact O-N 3.17Å
952	Y	89.9	Confident	87.2	Confident	73 Å²	73	85.1 Å²	85.1	29%	0.286	41%	0.405	S	S	.	.	H	α-helix	trans	-63.3	-45.8	177	-170.3	-86.2	0	0	0	111.4	L876 K880 A948 E950 E954 L955 E956	L876-Y952 HydrophobicContact CB-CE2 4.35Å; L876-Y952 HydrophobicContact CD2-CE1 4.49Å; L876-Y952 HydrophobicContact CD2-CE2 4.2Å; K880-Y952 HydrophobicContact CB-CE2 4.14Å; A948-Y952 VanDerWaalsContact O-CB 3.3Å; A948-Y952 WeakPolarHBondContact O-CB 3.34Å; A948-Y952 PolarHBondContact O-N 3.13Å; E950-Y952 VanDerWaalsContact C-N 3.33Å; E950-Y952 PolarHBondContact O-N 3.15Å; Y952-E954 VanDerWaalsContact C-N 3.34Å; Y952-E954 PolarHBondContact O-N 2.96Å; Y952-L955 PolarHBondContact O-N 3.41Å; Y952-E956 WeakPolarHBondContact O-CB 3.32Å; Y952-E956 PolarHBondContact O-N 3.17Å
953	K	88.8	Confident	86.5	Confident	146 Å²	146	84.9 Å²	84.9	64%	0.635	41%	0.41	S	S	*	.	H	α-helix	trans	-65.3	-36.5	175.9	-76.2	179.5	178.2	-175.4	0	112.8	K949 E950 E956 K957	K949-K953 WeakPolarHBondContact O-CB 3.32Å; K949-K953 VanDerWaalsContact O-CG 3.31Å; K949-K953 WeakPolarHBondContact O-CG 3.35Å; K949-K953 PolarHBondContact O-N 2.83Å; K949-K953 VanDerWaalsContact O-N 3.08Å; E950-K953 PolarHBondContact O-N 3.2Å; K953-E956 PolarHBondContact O-N 3.22Å; K953-K957 WeakPolarHBondContact O-CB 3.43Å; K953-K957 PolarHBondContact O-N 2.93Å
954	E	87.5	Confident	85.8	Confident	99 Å²	99	87.7 Å²	87.7	46%	0.463	42%	0.416	S	S	.	.	H	α-helix	trans	-66.6	-45.5	178.6	-165.9	-169.3	155.2	0	0	110.7	E950 K951 Y952 K957 K958	E950-E954 WeakPolarHBondContact O-CB 3.32Å; E950-E954 PolarHBondContact O-N 2.97Å; K951-E954 PolarHBondContact O-N 3.1Å; Y952-E954 VanDerWaalsContact C-N 3.34Å; Y952-E954 PolarHBondContact O-N 2.96Å; E954-K957 PolarHBondContact O-N 3.37Å; E954-K958 WeakPolarHBondContact O-CG 3.46Å; E954-K958 PolarHBondContact O-N 2.94Å; E954-K958 WeakPolarHBondContact OE1-CE 3.28Å; E954-K958 IonicContact OE1-NZ 2.62Å; E954-K958 PolarHBondContact OE1-NZ 2.83Å
955	L	86.3	Confident	84.9	Confident	25 Å²	25	86.9 Å²	86.9	13%	0.131	41%	0.412	C	S	.	.	H	α-helix	trans	-64.1	-43.1	174.1	-175.9	64.2	0	0	0	111.2	L876 L879 K951 Y952 K957 K958 L959	L876-L955 HydrophobicContact CD2-CD2 4.14Å; L876-L955 HydrophobicContact CD2-CG 4.23Å; L879-L955 HydrophobicContact CB-CD2 3.79Å; L879-L955 HydrophobicContact CD2-CB 3.76Å; L879-L955 HydrophobicContact CD2-CD2 3.43Å; L879-L955 VanDerWaalsContact CD2-CD2 3.43Å; L879-L955 HydrophobicContact CD2-CG 4.22Å; L879-L955 HydrophobicContact CG-CD2 4.17Å; K951-L955 PolarHBondContact O-N 3.17Å; Y952-L955 PolarHBondContact O-N 3.41Å; L955-K957 VanDerWaalsContact C-N 3.25Å; L955-K957 PolarHBondContact O-N 3.36Å; L955-K958 PolarHBondContact O-N 3.29Å; L955-K958 VanDerWaalsContact O-N 3.14Å; L955-L959 HydrophobicContact CD1-CD1 4.33Å; L955-L959 HydrophobicContact CD1-CG 4.13Å; L955-L959 HydrophobicContact CD2-CD1 4.37Å; L955-L959 HydrophobicContact CG-CD1 3.89Å; L955-L959 HydrophobicContact CG-CG 4.16Å; L955-L959 WeakPolarHBondContact O-CB 3.49Å; L955-L959 VanDerWaalsContact O-CG 3.3Å; L955-L959 WeakPolarHBondContact O-CG 3.49Å; L955-L959 PolarHBondContact O-N 2.87Å
956	E	86.9	Confident	83.9	Confident	56 Å²	56	83.6 Å²	83.6	26%	0.262	41%	0.405	S	S	.	.	H	α-helix	trans	-57.5	-40.6	175.5	-162.7	-167.9	162.6	0	0	111.7	Y872 L876 Y952 K953 K960	Y872-E956 VanDerWaalsContact OH-CG 3.22Å; Y872-E956 WeakPolarHBondContact OH-CG 3.23Å; L876-E956 HydrophobicContact CD1-CG 4.42Å; L876-E956 HydrophobicContact CD2-CB 4.32Å; Y952-E956 WeakPolarHBondContact O-CB 3.32Å; Y952-E956 PolarHBondContact O-N 3.17Å; K953-E956 PolarHBondContact O-N 3.22Å; E956-K960 HydrophobicContact CG-CD 4.47Å; E956-K960 WeakPolarHBondContact O-CB 3.35Å; E956-K960 WeakPolarHBondContact O-CG 3.39Å; E956-K960 PolarHBondContact O-N 3.1Å; E956-K960 IonicContact OE1-NZ 3.53Å; E956-K960 PolarHBondContact OE1-NZ 3.41Å
957	K	86	Confident	82.8	Confident	162 Å²	162	82 Å²	82	70%	0.704	40%	0.395	S	S	*	.	H	α-helix	trans	-68.7	-41.6	175.9	-170.5	-178.7	178.7	-173.4	0	111.9	K953 E954 L955 K960 A961	K953-K957 WeakPolarHBondContact O-CB 3.43Å; K953-K957 PolarHBondContact O-N 2.93Å; E954-K957 PolarHBondContact O-N 3.37Å; L955-K957 VanDerWaalsContact C-N 3.25Å; L955-K957 PolarHBondContact O-N 3.36Å; K957-K960 PolarHBondContact O-N 3.08Å; K957-A961 WeakPolarHBondContact O-CB 3.36Å; K957-A961 PolarHBondContact O-N 2.8Å; K957-A961 VanDerWaalsContact O-N 3.09Å
958	K	84.8	Confident	81.7	Confident	97 Å²	97	79.3 Å²	79.3	42%	0.422	39%	0.385	S	S	.	.	H	α-helix	trans	-62.5	-47.3	175.7	-75.1	178.4	-176.5	169.9	0	111.1	E954 L955 K960 A961 D962	E954-K958 WeakPolarHBondContact O-CG 3.46Å; E954-K958 PolarHBondContact O-N 2.94Å; E954-K958 WeakPolarHBondContact OE1-CE 3.28Å; E954-K958 IonicContact OE1-NZ 2.62Å; E954-K958 PolarHBondContact OE1-NZ 2.83Å; L955-K958 PolarHBondContact O-N 3.29Å; L955-K958 VanDerWaalsContact O-N 3.14Å; K958-K960 PolarHBondContact O-N 2.88Å; K958-A961 PolarHBondContact O-N 3.48Å; K958-A961 VanDerWaalsContact O-N 3.15Å; K958-D962 PolarHBondContact O-N 3.48Å
959	L	83.6	Confident	80.4	Confident	1 Å²	1	81.8 Å²	81.8	1%	0.005	40%	0.402	C	S	.	.	H	α-helix	trans	-63.3	-38.8	177.9	-69.6	173	0	0	0	112.9	Y845 L846 Y872 C875 L876 L955 A961 D962 L965	Y845-L959 HydrophobicContact CD2-CD2 4.3Å; Y845-L959 HydrophobicContact CE2-CD2 4.14Å; L846-L959 HydrophobicContact CD2-CD2 3.59Å; L846-L959 HydrophobicContact CG-CD2 4.24Å; Y872-L959 HydrophobicContact CD2-CB 3.81Å; Y872-L959 HydrophobicContact CD2-CD1 4.16Å; Y872-L959 HydrophobicContact CE2-CB 3.77Å; Y872-L959 HydrophobicContact CE2-CD1 4.3Å; C875-L959 HydrophobicContact CB-CD1 4.24Å; C875-L959 HydrophobicContact CB-CD2 4.5Å; L876-L959 HydrophobicContact CD1-CD1 4.46Å; L876-L959 HydrophobicContact CD2-CD1 3.82Å; L876-L959 HydrophobicContact CG-CD1 3.71Å; L955-L959 HydrophobicContact CD1-CD1 4.33Å; L955-L959 HydrophobicContact CD1-CG 4.13Å; L955-L959 HydrophobicContact CD2-CD1 4.37Å; L955-L959 HydrophobicContact CG-CD1 3.89Å; L955-L959 HydrophobicContact CG-CG 4.16Å; L955-L959 WeakPolarHBondContact O-CB 3.49Å; L955-L959 VanDerWaalsContact O-CG 3.3Å; L955-L959 WeakPolarHBondContact O-CG 3.49Å; L955-L959 PolarHBondContact O-N 2.87Å; L959-A961 VanDerWaalsContact C-N 3.32Å; L959-D962 PolarHBondContact O-N 3.14Å; L959-L965 HydrophobicContact CB-CD1 4.28Å; L959-L965 HydrophobicContact CD2-CD1 3.92Å
960	K	82.2	Confident	78.9	Confident	129 Å²	129	79 Å²	79	56%	0.561	40%	0.398	S	S	*	.	H	α-helix	trans	-69.2	-28.2	174.8	-78.5	173.1	173.3	167.8	0	113.5	Y872 E956 K957 K958	Y872-K960 HydrophobicContact CE2-CG 4.29Å; E956-K960 HydrophobicContact CG-CD 4.47Å; E956-K960 WeakPolarHBondContact O-CB 3.35Å; E956-K960 WeakPolarHBondContact O-CG 3.39Å; E956-K960 PolarHBondContact O-N 3.1Å; E956-K960 IonicContact OE1-NZ 3.53Å; E956-K960 PolarHBondContact OE1-NZ 3.41Å; K957-K960 PolarHBondContact O-N 3.08Å; K958-K960 PolarHBondContact O-N 2.88Å
961	A	81.4	Confident	77.2	Confident	79 Å²	79	74.8 Å²	74.8	65%	0.653	38%	0.383	S	S	*	.	H	α-helix	trans	-88.2	-13.7	179	0	0	0	0	0	113.1	K957 K958 L959	K957-A961 WeakPolarHBondContact O-CB 3.36Å; K957-A961 PolarHBondContact O-N 2.8Å; K957-A961 VanDerWaalsContact O-N 3.09Å; K958-A961 PolarHBondContact O-N 3.48Å; K958-A961 VanDerWaalsContact O-N 3.15Å; L959-A961 VanDerWaalsContact C-N 3.32Å
962	D	79.2	Confident	75.4	Confident	11 Å²	11	72.9 Å²	72.9	6%	0.059	39%	0.385	C	S	.	.			trans	-69	123.6	-174.9	-161.4	-53.4	0	0	0	111.9	Y845 L846 K958 L959 R964 L965	Y845-D962 WeakPolarHBondContact CE2-OD2 3.26Å; Y845-D962 VanDerWaalsContact CZ-OD2 3.29Å; Y845-D962 PolarHBondContact OH-OD2 3.17Å; L846-D962 HydrophobicContact CD1-CB 4.34Å; L846-D962 VanDerWaalsContact CD1-OD2 3.26Å; L846-D962 WeakPolarHBondContact CD1-OD2 3.39Å; K958-D962 PolarHBondContact O-N 3.48Å; L959-D962 PolarHBondContact O-N 3.14Å; D962-R964 PolarHBondContact O-N 3.05Å; D962-R964 VanDerWaalsContact O-N 3.15Å; D962-R964 VanDerWaalsContact OD1-CB 3.31Å; D962-R964 WeakPolarHBondContact OD1-CB 3.29Å; D962-R964 VanDerWaalsContact OD1-CG 3.28Å; D962-R964 WeakPolarHBondContact OD1-CG 3.18Å; D962-R964 PolarHBondContact OD1-N 3.29Å; D962-L965 PolarHBondContact O-N 3.14Å; D962-L965 VanDerWaalsContact O-N 3.15Å
963	P	76.3	Confident	73.5	Confident	105 Å²	105	78.7 Å²	78.7	68%	0.682	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-55.9	-30.4	178.5	-24.3	32.9	0	0	0	114.2	L965 S966	P963-L965 PolarHBondContact O-N 3.03Å; P963-S966 VanDerWaalsContact O-CB 3.25Å; P963-S966 WeakPolarHBondContact O-CB 3.41Å; P963-S966 PolarHBondContact O-N 3.15Å; P963-S966 PolarHBondContact O-OG 3.04Å
964	R	74.1	Confident	71.4	Confident	118 Å²	118	80.7 Å²	80.7	45%	0.445	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-69.3	-23.1	-176.9	-56.6	175	-160	-162.7	7.7	112.6	D844 L846 D962	D844-R964 VanDerWaalsContact CG-NH1 3.29Å; D844-R964 IonicContact OD1-CZ 2.62Å; D844-R964 IonicContact OD1-NH1 3.26Å; D844-R964 PolarHBondContact OD1-NH1 3.04Å; D844-R964 IonicContact OD1-NH2 2.68Å; D844-R964 IonicContact OD2-CZ 3.67Å; D844-R964 IonicContact OD2-NH1 3.61Å; D844-R964 PolarHBondContact OD2-NH1 2.87Å; D844-R964 IonicContact OD2-NH2 3.19Å; D844-R964 PolarHBondContact OD2-NH2 2.96Å; L846-R964 HydrophobicContact CD1-CB 4.5Å; D962-R964 PolarHBondContact O-N 3.05Å; D962-R964 VanDerWaalsContact O-N 3.15Å; D962-R964 VanDerWaalsContact OD1-CB 3.31Å; D962-R964 WeakPolarHBondContact OD1-CB 3.29Å; D962-R964 VanDerWaalsContact OD1-CG 3.28Å; D962-R964 WeakPolarHBondContact OD1-CG 3.18Å; D962-R964 PolarHBondContact OD1-N 3.29Å
965	L	74.6	Confident	69	Low	5 Å²	5	83.7 Å²	83.7	3%	0.026	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-103.2	15.4	178.9	-65.8	177.1	0	0	0	112.6	L846 A868 V871 Y872 L959 D962 P963 E967 L968	L846-L965 HydrophobicContact CD1-CD1 4.17Å; L846-L965 HydrophobicContact CD1-CG 4.32Å; L846-L965 HydrophobicContact CD2-CD1 4.31Å; A868-L965 HydrophobicContact CB-CD2 3.93Å; V871-L965 HydrophobicContact CB-CD2 4.43Å; V871-L965 HydrophobicContact CG1-CD2 4.3Å; Y872-L965 HydrophobicContact CD2-CD1 4.45Å; L959-L965 HydrophobicContact CB-CD1 4.28Å; L959-L965 HydrophobicContact CD2-CD1 3.92Å; D962-L965 PolarHBondContact O-N 3.14Å; D962-L965 VanDerWaalsContact O-N 3.15Å; P963-L965 PolarHBondContact O-N 3.03Å; L965-E967 PolarHBondContact O-N 3.07Å; L965-E967 VanDerWaalsContact O-N 3.07Å; L965-L968 HydrophobicContact CB-CD1 4.12Å; L965-L968 HydrophobicContact CD2-CD1 4.19Å; L965-L968 WeakPolarHBondContact O-CB 3.27Å; L965-L968 PolarHBondContact O-N 3.27Å
966	S	67.1	Low	66.5	Low	58 Å²	58	93.9 Å²	93.9	41%	0.406	49%	0.491	S	S	.	.	H	α-helix	trans	-60.5	-18.7	-175.3	53.4	0	0	0	0	115.9	P963 L968 S969 S970	P963-S966 VanDerWaalsContact O-CB 3.25Å; P963-S966 WeakPolarHBondContact O-CB 3.41Å; P963-S966 PolarHBondContact O-N 3.15Å; P963-S966 PolarHBondContact O-OG 3.04Å; S966-L968 PolarHBondContact O-N 3.21Å; S966-S969 PolarHBondContact O-N 3.29Å; S966-S969 PolarHBondContact O-OG 3.27Å; S966-S970 PolarHBondContact O-N 2.95Å; S966-S970 PolarHBondContact O-OG 2.93Å
967	E	66.6	Low	65.5	Low	67 Å²	67	95.8 Å²	95.8	31%	0.313	50%	0.502	S	S	.	.	H	α-helix	trans	-65.8	-27.3	171.5	-72.7	-106.6	156.2	0	0	112.1	L965 S970	L965-E967 PolarHBondContact O-N 3.07Å; L965-E967 VanDerWaalsContact O-N 3.07Å; E967-S970 WeakPolarHBondContact CA-OG 3.44Å; E967-S970 PolarHBondContact O-OG 3.45Å
968	L	66.7	Low	64.5	Low	42 Å²	42	92.3 Å²	92.3	22%	0.22	49%	0.492	C	S	.	.	H	α-helix	trans	-71	-31.9	174.4	-78.2	154.1	0	0	0	112.7	F865 A868 Y872 L965 S966 S971	F865-L968 HydrophobicContact CD2-CD2 4.35Å; F865-L968 HydrophobicContact CE2-CD2 3.84Å; F865-L968 HydrophobicContact CZ-CD2 4.41Å; A868-L968 HydrophobicContact CB-CD1 3.81Å; A868-L968 HydrophobicContact CB-CG 3.98Å; A868-L968 WeakPolarHBondContact O-CD1 3.36Å; Y872-L968 HydrophobicContact CD2-CD1 4.4Å; Y872-L968 HydrophobicContact CG-CD1 4.29Å; L965-L968 HydrophobicContact CB-CD1 4.12Å; L965-L968 HydrophobicContact CD2-CD1 4.19Å; L965-L968 WeakPolarHBondContact O-CB 3.27Å; L965-L968 PolarHBondContact O-N 3.27Å; S966-L968 PolarHBondContact O-N 3.21Å; L968-S971 PolarHBondContact O-OG 3.47Å
969	S	60.7	Low	63.3	Low	70 Å²	70	92 Å²	92	49%	0.49	50%	0.495	S	S	.	.	H	α-helix	trans	-84.9	-18.8	-179.5	61.9	0	0	0	0	113.5	S966 S972	S966-S969 PolarHBondContact O-N 3.29Å; S966-S969 PolarHBondContact O-OG 3.27Å; S969-S972 PolarHBondContact O-OG 2.98Å; S969-S972 VanDerWaalsContact O-OG 3.14Å
970	S	57.9	Low	62.1	Low	70 Å²	70	97.4 Å²	97.4	49%	0.49	52%	0.524	S	S	.	.	H	α-helix	trans	-88.2	-17.2	-178.7	39.3	0	0	0	0	114.1	S966 E967	S966-S970 PolarHBondContact O-N 2.95Å; S966-S970 PolarHBondContact O-OG 2.93Å; E967-S970 WeakPolarHBondContact CA-OG 3.44Å; E967-S970 PolarHBondContact O-OG 3.45Å
971	S	52.7	Low	60.9	Low	43 Å²	43	95.4 Å²	95.4	30%	0.301	52%	0.522	S	S	.	.	H	α-helix	trans	-87.9	-21.5	177.9	63.1	0	0	0	0	114.4	F865 L968 F973 K974 M975	F865-S971 WeakPolarHBondContact CE2-OG 3.39Å; L968-S971 PolarHBondContact O-OG 3.47Å; S971-F973 PolarHBondContact O-N 2.95Å; S971-F973 VanDerWaalsContact O-N 3.13Å; S971-K974 PolarHBondContact O-N 3.02Å; S971-M975 PolarHBondContact O-N 3.11Å
972	S	51.1	Low	59.5	Low	75 Å²	75	96.5 Å²	96.5	52%	0.524	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.7	172.5	58.5	0	0	0	0	112.7	S969	S969-S972 PolarHBondContact O-OG 2.98Å; S969-S972 VanDerWaalsContact O-OG 3.14Å
973	F	48.5	Very low	58.1	Low	194 Å²	194	102.6 Å²	102.6	85%	0.851	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.5	171.4	-100.3	-87.9	0	0	0	114.7	S971	S971-F973 PolarHBondContact O-N 2.95Å; S971-F973 VanDerWaalsContact O-N 3.13Å
974	K	45	Very low	56.7	Low	188 Å²	188	102.4 Å²	102.4	82%	0.817	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-6.5	179.4	-81.4	-173.8	178.3	176.6	0	115.4	S971	S971-K974 PolarHBondContact O-N 3.02Å
975	M	37.5	Very low	55.3	Low	163 Å²	163	101.1 Å²	101.1	80%	0.803	54%	0.543	S	S	*	.			trans	-145.3	110	170.6	-69.6	-168.3	-171.4	0	0	109.9	S971	S971-M975 PolarHBondContact O-N 3.11Å
976	N	34.7	Very low	53.5	Low	238 Å²	238	109.8 Å²	109.8	100%	1.273	59%	0.59	S	S	*	*			trans	76.8	0	171.9	-63.2	-24.6	0	0	0	119.5

Retrieved 976 of 976 residues in 240.4 ms (Link to these results)

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