A0A087Y6J3_POEFO Loading...

DNA ligase

DNA ligase that seals nicks in double-stranded during DNA repair. Also involved in DNA replication and DNA recombination.

AlphaFold DB , UniProt , Accession A0A087Y6J3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,002 aa.

						>A0A087Y6J3_POEFO|A0A087Y6J3
MQRSIASFFQPRIKVKDSQKKTADEPVNKPIKSPLKVQNGVQEADSPIKKVAKRSRQILDSDEDEAPLVKEQGDKGAPAKTEKTDDVSQAVPTPLSPTPAPSTPITLETPETSASSTSSGSPSSPSSTSTSRIVKRKTARKMFPKRKLDESESRKGESEVAEEQGQQNKRPRLESGVSSAENTDEPMEEGAKEEKVEKPVAEANSPDEEVGNEKTEGEKAKKEEEQVEEKISDEKEKKAEGAEKKNEAKEKTDDEKRPSVAKDKVFEKDTKDTGSPKSQMEEKKQKEAKEQKDKEPAKKTPISSFFAPRKAAVKTEKPEKNKGEKKTSAERKSSDEEQRDAKGGSASGETDYNPSRPNYHPVDHACWKQGQKVPYLAVARTFEKIEEDSGRLRNIETLSNLLRSVLLLSPDDLLCCVYLCLNQLGPAYLGMELGVGETVLMKAVAQATGRHLDKIKAEAQEKGDLGLVAESSRSNQRTMFQPASLTAGGVFKKLKEIASMSGNSAMNKKIDIIKGLFVACRFSEARYIVRSLAGKLRIGLAEQSVLAALSQAVCLTPPGQGFPPAVIDAGKGMSAESRRAWIEEKSLILKQTYCEMPNYDIIIPVLLKAGIDQLPKHCKLTPGVPLRPMLAHPTKGVGEVMKRFDEAAFTCEYKYDGERAQIHILESGEVRIFSRNQEDNTSKYPDIISRLPKVKKDSVVSCVLDTEAVAWDREKKQIQPFQVLTTRKRKDVDASEIKVQVCVYAFDLLYLNGESLVRQPLCRRRELLRESFTEVEGEFLFARSIDSHDTDAIAEFLEQSVRDSCEGLMVKTLEKDATYEIAKRSHNWLKLKKDYLDGVGDTVDLCVIGAYLGKGKRTGTYGGFLLACYDEDNEEFQSVCKIGTGFKDEDLEQHYKFLKEHILAKPRPYYRVDQSAEPDVWLDAVQVWEVKCADLSLSPVYKAAMGMVDAEKGISLRFPRFLRIRDDKKPEDATTGAQIADLYKKQQQIQNQGEKADPEDYY
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29	Very low	31.7	Very low	240 Å²	240	151.6 Å²	151.6	100%	1.182	78%	0.779	S	S	*	*				0	105.7	0	-59.8	167.8	-169.5	0	0	105.9
2	Q	29.1	Very low	31.6	Very low	160 Å²	160	157.3 Å²	157.3	75%	0.748	78%	0.783	S	S	*	*				65.6	113.4	91.4	-82.6	-161.2	2.4	0	0	115.5
3	R	30.2	Very low	31.9	Very low	224 Å²	224	156.6 Å²	156.6	85%	0.845	78%	0.781	S	S	*	*			trans	69.6	154.3	141.6	-68	178.5	178.5	179.5	-0.5	118.4
4	S	33.1	Very low	32	Very low	110 Å²	110	158.1 Å²	158.1	77%	0.769	78%	0.781	S	S	*	*			cis	-162.9	159.1	-20.9	-179	0	0	0	0	110.9
5	I	29.7	Very low	32.3	Very low	154 Å²	154	154.9 Å²	154.9	79%	0.79	77%	0.773	S	S	*	*			trans	-57.1	148.4	166	-101.5	169.4	0	0	0	113.5
6	A	29.6	Very low	32.5	Very low	84 Å²	84	155 Å²	155	69%	0.694	77%	0.767	S	S	*	*			trans	55	140.1	156.4	0	0	0	0	0	121.5
7	S	29.3	Very low	32.6	Very low	98 Å²	98	152.6 Å²	152.6	69%	0.685	76%	0.758	S	S	*	*				176.7	169.6	107.5	44.8	0	0	0	0	113
8	F	29.3	Very low	32.7	Very low	165 Å²	165	148.7 Å²	148.7	72%	0.724	75%	0.748	S	S	*	*			trans	68.8	132	170.6	-63.3	-89.3	0	0	0	118.9
9	F	30.4	Very low	32.7	Very low	178 Å²	178	149.9 Å²	149.9	78%	0.781	75%	0.751	S	S	*	*			cis	-162.2	158.6	-17.9	-137.1	-146.4	0	0	0	111.8
10	Q	29.4	Very low	32.7	Very low	168 Å²	168	152.2 Å²	152.2	79%	0.785	76%	0.756	S	S	*	*			trans	-81.7	-173.5	162.9	-125.7	-176.6	32.4	0	0	109.1
11	P	49.1	Very low	32.5	Very low	87 Å²	87	154.8 Å²	154.8	57%	0.565	76%	0.763	S	S	*	*			cis	-158.8	-164.9	45.9	36.4	-8.9	0	0	0	118.5
12	R	31.5	Very low	32.7	Very low	219 Å²	219	150 Å²	150	83%	0.826	75%	0.747	S	S	*	*			trans	89.2	144.6	162.9	-58.2	163.4	-174.6	174.4	2.3	113.7
13	I	35.6	Very low	32.8	Very low	149 Å²	149	146.5 Å²	146.5	76%	0.764	75%	0.746	S	S	*	*			cis	-158.7	161.6	0.3	-126	168.7	0	0	0	109.1
14	K	33.2	Very low	32.9	Very low	178 Å²	178	143.1 Å²	143.1	77%	0.774	74%	0.744	S	S	*	*			cis	-152.3	-55.2	10.7	-162.5	-176.6	-176.3	-179.4	0	116.9
15	V	35.8	Very low	33	Very low	109 Å²	109	146.3 Å²	146.3	66%	0.661	75%	0.747	S	S	*	*			trans	-169.6	151.5	-145.1	138.1	0	0	0	0	107.5
16	K	35.3	Very low	34.2	Very low	157 Å²	157	143.8 Å²	143.8	68%	0.683	74%	0.741	S	S	*	*			cis	-171.4	-178.8	-7.6	-100.6	-179.2	153	-74.6	0	106.2
17	D	34	Very low	34.2	Very low	114 Å²	114	147 Å²	147	61%	0.61	75%	0.751	S	S	*	*			cis	-168	174.1	-5.2	-109.6	-4.9	0	0	0	106.7
18	S	34.8	Very low	34.3	Very low	83 Å²	83	148.6 Å²	148.6	58%	0.58	75%	0.752	S	S	*	*			cis	-174.7	-179.4	-31.7	61.8	0	0	0	0	111.2
19	Q	33.1	Very low	34.3	Very low	172 Å²	172	149.2 Å²	149.2	80%	0.804	75%	0.754	S	S	*	*			trans	72.2	99.7	162.1	-62.3	-165	37.9	0	0	122
20	K	32.9	Very low	35.1	Very low	194 Å²	194	146 Å²	146	84%	0.843	75%	0.751	S	S	*	*				44.6	123.4	126.4	-69.6	-175.2	171.2	-177	0	122.1
21	K	28.7	Very low	35.1	Very low	208 Å²	208	145.4 Å²	145.4	90%	0.904	75%	0.752	S	S	*	*				-176.8	178.7	105.4	-103.4	-175.7	177	-174.2	0	113.3
22	T	33.1	Very low	34.2	Very low	140 Å²	140	150.8 Å²	150.8	86%	0.859	77%	0.766	S	S	*	*			trans	-144.4	143.7	-167.2	48.2	0	0	0	0	114
23	A	30.9	Very low	34.4	Very low	86 Å²	86	145.6 Å²	145.6	71%	0.711	76%	0.763	S	S	*	*			trans	-178.2	138.2	159.6	0	0	0	0	0	106.5
24	D	31.7	Very low	34.8	Very low	152 Å²	152	143.3 Å²	143.3	81%	0.813	76%	0.758	S	S	*	*				73.1	130.7	53	-57.7	-31.4	0	0	0	112.8
25	E	34.7	Very low	34.5	Very low	178 Å²	178	142 Å²	142	83%	0.832	76%	0.759	S	S	*	*			cis	-155	-173.5	2.4	-119	-133.5	126.2	0	0	111.4
26	P	56.2	Low	34.1	Very low	101 Å²	101	145 Å²	145	66%	0.656	76%	0.763	S	S	*	*			trans	-112.6	178	-152.9	43.7	-39.7	0	0	0	118.9
27	V	28.3	Very low	33.8	Very low	150 Å²	150	142.6 Å²	142.6	91%	0.909	76%	0.761	S	S	*	*			trans	-138	152.9	162.9	-177.9	0	0	0	0	110.2
28	N	33.1	Very low	33.4	Very low	132 Å²	132	145.2 Å²	145.2	71%	0.706	77%	0.77	S	S	*	*			trans	-146	144.6	-167.6	-165.5	-1.9	0	0	0	113.4
29	K	29.1	Very low	33.1	Very low	179 Å²	179	148.5 Å²	148.5	78%	0.778	78%	0.781	S	S	*	*			trans	67	168.3	172.3	-57.9	-173.3	-176.1	176.1	0	117.1
30	P	46.4	Very low	32.7	Very low	109 Å²	109	143.7 Å²	143.7	71%	0.708	78%	0.777	S	S	*	*			cis	-135.4	165.8	-34.8	31.2	-12.3	0	0	0	116.1
31	I	30.2	Very low	32.4	Very low	156 Å²	156	141.3 Å²	141.3	80%	0.8	78%	0.779	S	S	*	*			trans	3.1	122.2	145.4	-32.3	171.2	0	0	0	119
32	K	29.1	Very low	32.4	Very low	201 Å²	201	140 Å²	140	87%	0.874	78%	0.776	S	S	*	*				172.5	148.2	116.1	-93.9	177.2	-177.4	-179.1	0	113.6
33	S	36	Very low	32.2	Very low	109 Å²	109	142.9 Å²	142.9	76%	0.762	78%	0.78	S	S	*	*			trans	-80.4	159.1	166.3	53.5	0	0	0	0	110.7
34	P	44.3	Very low	32	Very low	102 Å²	102	143.4 Å²	143.4	66%	0.662	78%	0.784	S	S	*	*				-161.9	179.9	87	44.9	-25.3	0	0	0	117.5
35	L	27.6	Very low	31.8	Very low	150 Å²	150	143.3 Å²	143.3	79%	0.785	78%	0.784	S	S	*	*			trans	59.2	161.9	146	-70.4	160.1	0	0	0	119.6
36	K	27.3	Very low	31.5	Very low	173 Å²	173	139.6 Å²	139.6	75%	0.752	78%	0.777	S	S	*	*			cis	-171.2	143.5	-32.4	-144.8	-164.7	-164.6	175.6	0	109.1
37	V	28.5	Very low	30.6	Very low	105 Å²	105	140 Å²	140	64%	0.636	78%	0.78	S	S	*	*			trans	72.4	148.5	140.9	152.2	0	0	0	0	123
38	Q	26	Very low	30.6	Very low	169 Å²	169	141.3 Å²	141.3	79%	0.79	78%	0.78	S	S	*	*			trans	72.5	150.1	161.4	-87.3	156.5	12.6	0	0	119.5
39	N	28	Very low	30.2	Very low	153 Å²	153	144.3 Å²	144.3	82%	0.818	79%	0.787	S	S	*	*			cis	-164.4	158.9	-18.4	-134	14.9	0	0	0	112.4
40	G	25.7	Very low	30.1	Very low	70 Å²	70	145.9 Å²	145.9	72%	0.722	79%	0.793	S	S	*	*			trans	77.7	170.8	164	0	0	0	0	0	116.6
41	V	25.6	Very low	29.1	Very low	145 Å²	145	147.3 Å²	147.3	88%	0.879	80%	0.8	S	S	*	*			cis	-142.1	166.9	-0.4	175.5	0	0	0	0	109.1
42	Q	29	Very low	29.1	Very low	181 Å²	181	144.4 Å²	144.4	85%	0.846	80%	0.799	S	S	*	*			trans	-76.8	146	176.3	-60.6	170.1	-60.9	0	0	113.5
43	E	28.5	Very low	28.9	Very low	200 Å²	200	144.5 Å²	144.5	94%	0.935	80%	0.8	S	S	*	*			trans	-136.4	155	150.1	-77.6	-164.1	149.8	0	0	109.6
44	A	27.5	Very low	28.5	Very low	97 Å²	97	150.5 Å²	150.5	80%	0.802	81%	0.806	S	S	*	*			trans	-155.1	123.5	174.8	0	0	0	0	0	111.3
45	D	26.5	Very low	27.7	Very low	150 Å²	150	151.4 Å²	151.4	80%	0.802	81%	0.814	S	S	*	*			trans	-159.7	111.7	142.6	-132.6	-24.6	0	0	0	115.2
46	S	28.8	Very low	27.6	Very low	100 Å²	100	154.9 Å²	154.9	70%	0.699	82%	0.817	S	S	*	*			trans	57.2	-172.2	137.1	-56.7	0	0	0	0	119.9
47	P	36.8	Very low	27.5	Very low	110 Å²	110	155.2 Å²	155.2	71%	0.714	82%	0.821	S	S	*	*				-138.2	131.8	-92.3	40.1	-21.6	0	0	0	117.2
48	I	27.8	Very low	27.3	Very low	177 Å²	177	158.4 Å²	158.4	91%	0.908	83%	0.833	S	S	*	*			trans	-135.5	149	161	-86.6	103.7	0	0	0	112.7
49	K	26.6	Very low	27.2	Very low	195 Å²	195	157 Å²	157	85%	0.848	83%	0.83	S	S	*	*			trans	-67.1	128.3	-166.7	-63	167.2	-178.5	170.3	0	113.9
50	K	25.4	Very low	27.1	Very low	211 Å²	211	157.8 Å²	157.8	92%	0.917	83%	0.834	S	S	*	*			trans	-75.7	131.3	159.5	-68.8	-179.8	179	176.7	0	110.1
51	V	26.4	Very low	27.2	Very low	139 Å²	139	157.1 Å²	157.1	84%	0.842	82%	0.818	S	S	*	*			trans	-107.4	122.2	164.4	176.6	0	0	0	0	108.1
52	A	29.2	Very low	27.5	Very low	95 Å²	95	158.7 Å²	158.7	79%	0.785	82%	0.822	S	S	*	*			trans	-79.6	134.8	-175.8	0	0	0	0	0	112.4
53	K	26.2	Very low	27.5	Very low	204 Å²	204	158.1 Å²	158.1	89%	0.887	82%	0.819	S	S	*	*			trans	-131.3	124.8	156.9	-101.9	-179	176.8	175.5	0	109.3	S55	K53-S55 PolarHBondContact O-N 3.14Å
54	R	27.5	Very low	27.8	Very low	235 Å²	235	156.6 Å²	156.6	89%	0.887	82%	0.817	S	S	*	*			trans	-79.2	109.3	179.4	-70.2	172.8	170.1	162.3	-5.3	110
55	S	26.6	Very low	28	Very low	120 Å²	120	161.2 Å²	161.2	84%	0.839	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-78.9	125.5	146.8	35.5	0	0	0	0	107.8	K53	K53-S55 PolarHBondContact O-N 3.14Å
56	R	26.5	Very low	28.1	Very low	224 Å²	224	158.2 Å²	158.2	85%	0.845	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-99.6	122.4	164	-88.1	-176.9	165.9	173.8	-6.7	107.2
57	Q	24.9	Very low	28.2	Very low	179 Å²	179	159.4 Å²	159.4	84%	0.836	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-64	143.6	159.8	-71.2	157.5	-72.1	0	0	108.2
58	I	24.7	Very low	27.7	Very low	172 Å²	172	162.3 Å²	162.3	88%	0.882	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-90.9	121.5	160.9	-65.6	176.9	0	0	0	104.7
59	L	23.5	Very low	27.6	Very low	141 Å²	141	159.7 Å²	159.7	74%	0.738	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-80.5	126.2	179.9	-80.1	163.6	0	0	0	109.3
60	D	26	Very low	27.7	Very low	169 Å²	169	159.3 Å²	159.3	90%	0.904	82%	0.823	S	S	*	*			trans	-95.2	109.2	159.7	-167.1	26.6	0	0	0	105.9
61	S	27.5	Very low	27.8	Very low	55 Å²	55	156.8 Å²	156.8	39%	0.385	81%	0.814	S	S	.	*			trans	-153.1	99.8	-167.2	-56.7	0	0	0	0	112.1	E63	S61-E63 VanDerWaalsContact C-N 3.29Å
62	D	31.3	Very low	27.8	Very low	179 Å²	179	157.9 Å²	157.9	96%	0.957	81%	0.81	S	S	*	*			trans	-88.1	75.5	141	-79.5	-29.2	0	0	0	106.6
63	E	29.1	Very low	27.6	Very low	168 Å²	168	157 Å²	157	79%	0.785	81%	0.81	S	S	*	*			trans	-124.7	111.4	173	-70.4	-167.3	142.5	0	0	109.2	S61	S61-E63 VanDerWaalsContact C-N 3.29Å
64	D	34.1	Very low	27.6	Very low	169 Å²	169	153.7 Å²	153.7	90%	0.904	80%	0.802	S	S	*	*			trans	-104.5	154.8	170.3	-85.2	-46.3	0	0	0	110.6
65	E	32.8	Very low	27.7	Very low	194 Å²	194	151.2 Å²	151.2	91%	0.907	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-70.4	153.7	-154.6	-57.8	-175.9	129.9	0	0	116.5
66	A	28	Very low	27.6	Very low	87 Å²	87	149.7 Å²	149.7	72%	0.719	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-95.1	138.9	168.8	0	0	0	0	0	111.3
67	P	31.2	Very low	27.7	Very low	125 Å²	125	143.7 Å²	143.7	81%	0.812	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.2	139.7	178.9	31.2	-34.5	0	0	0	112
68	L	26.5	Very low	28.8	Very low	170 Å²	170	141.2 Å²	141.2	89%	0.89	80%	0.799	S	S	*	*			trans	-122.4	120.4	174.9	-90.3	169.2	0	0	0	111.2
69	V	25.8	Very low	28.9	Very low	122 Å²	122	137.3 Å²	137.3	74%	0.739	79%	0.792	S	S	*	*			trans	-135.5	96.5	177	-175.2	0	0	0	0	111.9
70	K	28.2	Very low	29.1	Very low	188 Å²	188	140 Å²	140	82%	0.817	80%	0.798	S	S	*	*			trans	75	170	147	-66.6	-178.1	174.4	-178.2	0	121.5
71	E	27.2	Very low	29.2	Very low	157 Å²	157	137.6 Å²	137.6	73%	0.734	79%	0.789	S	S	*	*			trans	87.2	132.7	168.4	-51.5	-91.5	93.3	0	0	115.3
72	Q	26.2	Very low	29.3	Very low	163 Å²	163	142.2 Å²	142.2	76%	0.762	81%	0.805	S	S	*	*			cis	-162.2	158.1	-11.1	-130.7	-176.3	49.6	0	0	112.4
73	G	25	Very low	29.3	Very low	75 Å²	75	141.3 Å²	141.3	77%	0.773	79%	0.792	S	S	*	*			trans	79.6	159.2	161.4	0	0	0	0	0	118.6
74	D	26.9	Very low	29.3	Very low	135 Å²	135	138.9 Å²	138.9	72%	0.722	79%	0.789	S	S	*	*			cis	-163.8	163.9	-13.9	-176.7	25.8	0	0	0	110.4
75	K	29.7	Very low	29	Very low	183 Å²	183	137.9 Å²	137.9	80%	0.796	78%	0.784	S	S	*	*			trans	75.9	122.2	164.5	-44.8	-171.5	-176.4	176.5	0	120
76	G	25.6	Very low	29	Very low	89 Å²	89	135.4 Å²	135.4	92%	0.918	78%	0.777	S	S	*	*			trans	156.3	96.3	159.1	0	0	0	0	0	116
77	A	27	Very low	29.2	Very low	97 Å²	97	137 Å²	137	80%	0.802	78%	0.777	S	S	*	*			trans	-136.4	178.6	171.8	0	0	0	0	0	109.2
78	P	48.2	Very low	29.1	Very low	128 Å²	128	135.5 Å²	135.5	83%	0.831	77%	0.77	S	S	*	*			cis	-138.4	165.6	-3.4	41.3	-24.8	0	0	0	116.6
79	A	27	Very low	29.4	Very low	90 Å²	90	136.5 Å²	136.5	74%	0.744	77%	0.77	S	S	*	*			trans	-161.7	122.1	150.4	0	0	0	0	0	108.2
80	K	28.5	Very low	29.6	Very low	197 Å²	197	134.7 Å²	134.7	86%	0.857	77%	0.768	S	S	*	*				54.5	122.3	80.6	-67.9	-169.3	177.1	-175.9	0	112.2
81	T	28.5	Very low	30	Very low	118 Å²	118	132.1 Å²	132.1	72%	0.724	77%	0.767	S	S	*	*			cis	-152.3	153.1	37.5	42.7	0	0	0	0	114.3
82	E	29.5	Very low	31.2	Very low	152 Å²	152	129.8 Å²	129.8	71%	0.71	77%	0.766	S	S	*	*			trans	46.7	146.8	135.3	-65.6	-163	127.5	0	0	122.6
83	K	30.1	Very low	31.6	Very low	160 Å²	160	128.1 Å²	128.1	70%	0.696	77%	0.767	S	S	*	*			cis	-171	-175.2	-16.4	-131.4	177.5	-168	152	0	109.7
84	T	28.8	Very low	32.9	Very low	118 Å²	118	129.6 Å²	129.6	72%	0.724	76%	0.763	S	S	*	*			trans	67.6	119.1	173.9	55.6	0	0	0	0	115.5
85	D	29	Very low	33	Very low	148 Å²	148	131.3 Å²	131.3	79%	0.791	77%	0.771	S	S	*	*			cis	92.8	137.7	41.9	-61.7	-20.8	0	0	0	111.4
86	D	31.7	Very low	33.5	Very low	141 Å²	141	127.9 Å²	127.9	75%	0.754	77%	0.77	S	S	*	*			cis	-170.3	171	-21.7	-170.5	15.2	0	0	0	109.2
87	V	32.8	Very low	34.6	Very low	120 Å²	120	129.5 Å²	129.5	73%	0.727	77%	0.765	S	S	*	*			trans	70	142.1	162.7	-169.9	0	0	0	0	116.9
88	S	29.4	Very low	35	Very low	94 Å²	94	131.1 Å²	131.1	66%	0.657	77%	0.765	S	S	*	*			cis	-153.2	142.2	-2.8	39.6	0	0	0	0	109.7
89	Q	32.5	Very low	34.9	Very low	192 Å²	192	131.1 Å²	131.1	90%	0.897	77%	0.765	S	S	*	*				42.7	142.3	97.1	-61.6	-175.9	-6.3	0	0	118
90	A	30.7	Very low	35.1	Very low	83 Å²	83	131.1 Å²	131.1	69%	0.686	77%	0.765	S	S	*	*			cis	-172.3	153.9	-14.7	0	0	0	0	0	112.9
91	V	34.8	Very low	36.4	Very low	134 Å²	134	127.5 Å²	127.5	81%	0.812	76%	0.761	S	S	*	*				40.1	147.1	129.1	179.6	0	0	0	0	120.6
92	P	53	Low	36.5	Very low	108 Å²	108	127.6 Å²	127.6	70%	0.701	77%	0.767	S	S	*	*			cis	-137.1	170.8	16.5	21	6.6	0	0	0	120.8
93	T	34.1	Very low	36.6	Very low	128 Å²	128	126.7 Å²	126.7	79%	0.785	77%	0.772	S	S	*	*			trans	-2.6	171	133.8	8.3	0	0	0	0	121.8
94	P	52.9	Low	37.4	Very low	106 Å²	106	124.2 Å²	124.2	69%	0.688	77%	0.773	S	S	*	*			cis	-149.4	-171.4	10.6	44.9	-23.4	0	0	0	121.2
95	L	30.3	Very low	37.5	Very low	171 Å²	171	126.3 Å²	126.3	90%	0.895	78%	0.777	S	S	*	*			trans	96.7	152.4	150.1	-74.8	169.9	0	0	0	122.9
96	S	39.7	Very low	37.4	Very low	111 Å²	111	125 Å²	125	78%	0.776	78%	0.775	S	S	*	*			trans	-126.1	-169.1	-169.7	-39.7	0	0	0	0	110.4
97	P	49.2	Very low	37.3	Very low	124 Å²	124	125 Å²	125	81%	0.805	77%	0.774	S	S	*	*			cis	-141.3	-159.1	6.5	44.1	-21.8	0	0	0	116.7
98	T	33.8	Very low	37	Very low	131 Å²	131	127.3 Å²	127.3	80%	0.804	78%	0.777	S	S	*	*			trans	-75	177.7	175.4	22.6	0	0	0	0	114.8
99	P	46.1	Very low	37	Very low	128 Å²	128	128.9 Å²	128.9	83%	0.831	78%	0.783	S	S	*	*			cis	-142.6	-157	28	43.9	-21.3	0	0	0	117.7
100	A	31.9	Very low	37.4	Very low	90 Å²	90	125.3 Å²	125.3	74%	0.744	78%	0.776	S	S	*	*			trans	-113	-158.9	-179.6	0	0	0	0	0	111.5
101	P	56.1	Low	37.2	Very low	120 Å²	120	129.4 Å²	129.4	78%	0.779	78%	0.781	S	S	*	*			cis	-135.4	178.6	-15.6	42.8	-26.6	0	0	0	115.1
102	S	29.3	Very low	36.9	Very low	121 Å²	121	128.6 Å²	128.6	85%	0.846	78%	0.777	S	S	*	*			trans	-173.9	151.6	154.1	48.8	0	0	0	0	116.7
103	T	33.3	Very low	35.7	Very low	132 Å²	132	128.2 Å²	128.2	81%	0.81	78%	0.776	S	S	*	*			trans	-114.3	171.5	156.5	47.6	0	0	0	0	107.4
104	P	47.1	Very low	35.5	Very low	109 Å²	109	126.6 Å²	126.6	71%	0.708	78%	0.776	S	S	*	*			cis	-157.8	-158.3	42.1	41.1	-14.4	0	0	0	118
105	I	29.6	Very low	34.5	Very low	161 Å²	161	126.6 Å²	126.6	83%	0.826	78%	0.779	S	S	*	*			trans	90.7	150.8	158.6	-67.7	164.2	0	0	0	119.1
106	T	27.8	Very low	34.6	Very low	120 Å²	120	123.2 Å²	123.2	74%	0.736	77%	0.77	S	S	*	*			trans	-109.4	160.8	-164	-25.1	0	0	0	0	112.7
107	L	28.9	Very low	34.1	Very low	142 Å²	142	124.3 Å²	124.3	74%	0.743	77%	0.772	S	S	*	*				172.7	149.5	120.3	-90.7	166.3	0	0	0	115.1
108	E	26.5	Very low	33.4	Very low	169 Å²	169	123.6 Å²	123.6	79%	0.79	77%	0.77	S	S	*	*			trans	70.1	139.1	146.2	-78.8	164.3	-157.6	0	0	126.6
109	T	29.2	Very low	33.2	Very low	127 Å²	127	122.8 Å²	122.8	78%	0.779	77%	0.769	S	S	*	*			trans	-65.5	165.1	168.6	27.2	0	0	0	0	113.7
110	P	40.6	Very low	32.3	Very low	116 Å²	116	119.4 Å²	119.4	75%	0.753	76%	0.758	S	S	*	*				-153.6	-173.1	52.4	49.3	-27.9	0	0	0	115.7
111	E	26.4	Very low	32.1	Very low	169 Å²	169	120.9 Å²	120.9	79%	0.79	76%	0.763	S	S	*	*			cis	-152.2	-122	-0.3	-145.2	-158.9	-114	0	0	116.4
112	T	28.7	Very low	31.9	Very low	117 Å²	117	120.8 Å²	120.8	72%	0.718	76%	0.762	S	S	*	*			trans	-93.8	-178.1	-167.3	52.1	0	0	0	0	114.1
113	S	27.7	Very low	31.7	Very low	100 Å²	100	120.6 Å²	120.6	70%	0.699	76%	0.761	S	S	*	*			cis	-154.4	146.1	20.4	67.7	0	0	0	0	116.5
114	A	30.5	Very low	31.4	Very low	94 Å²	94	119.9 Å²	119.9	78%	0.777	76%	0.761	S	S	*	*				56.6	153.5	128.4	0	0	0	0	0	121.2
115	S	32.4	Very low	31.7	Very low	106 Å²	106	120.3 Å²	120.3	74%	0.741	76%	0.764	S	S	*	*			cis	-163	162.4	-17.8	54.3	0	0	0	0	106.7
116	S	30.7	Very low	31.4	Very low	101 Å²	101	117.5 Å²	117.5	71%	0.706	76%	0.759	S	S	*	*				-170.5	124.9	65.9	46.9	0	0	0	0	109.3
117	T	31.1	Very low	31.4	Very low	134 Å²	134	116.8 Å²	116.8	82%	0.822	76%	0.759	S	S	*	*				61.4	143.4	81.7	66.6	0	0	0	0	115
118	S	32.6	Very low	31.2	Very low	109 Å²	109	116.8 Å²	116.8	76%	0.762	76%	0.764	S	S	*	*			cis	-156.4	-177.5	6.4	90.6	0	0	0	0	107.8
119	S	31.3	Very low	31.2	Very low	113 Å²	113	113.5 Å²	113.5	79%	0.79	76%	0.76	S	S	*	*			cis	-175.1	176.2	-18.9	48	0	0	0	0	105.5
120	G	26.5	Very low	31	Very low	58 Å²	58	113.7 Å²	113.7	60%	0.598	76%	0.761	S	S	*	*			cis	-160	160.8	-5.4	0	0	0	0	0	107.7
121	S	28.5	Very low	30.4	Very low	121 Å²	121	112.3 Å²	112.3	85%	0.846	75%	0.754	S	S	*	*			cis	78.3	147.9	47.9	-56.5	0	0	0	0	113.7
122	P	50.3	Low	30.2	Very low	118 Å²	118	115.3 Å²	115.3	77%	0.766	76%	0.759	S	S	*	*			cis	-141.8	174.9	-25.2	38.7	-21.5	0	0	0	114.8
123	S	25.9	Very low	30.3	Very low	116 Å²	116	117.6 Å²	117.6	81%	0.811	77%	0.765	S	S	*	*				175.5	153.7	129.7	42.1	0	0	0	0	113.5
124	S	27.8	Very low	30.2	Very low	117 Å²	117	118.8 Å²	118.8	82%	0.818	77%	0.768	S	S	*	*			trans	-169.7	-175.1	178.7	-55.8	0	0	0	0	107.1
125	P	52.4	Low	30	Very low	118 Å²	118	124.2 Å²	124.2	77%	0.766	77%	0.774	S	S	*	*			cis	-127.8	-177.6	-18.7	41	-26.3	0	0	0	112.8
126	S	24.4	Very low	29.8	Very low	103 Å²	103	131 Å²	131	72%	0.72	78%	0.783	S	S	*	*				166	126.9	124.2	64.3	0	0	0	0	116.1
127	S	26.4	Very low	29.6	Very low	105 Å²	105	136.1 Å²	136.1	73%	0.734	79%	0.792	S	S	*	*			trans	59.4	160.7	139.1	62.1	0	0	0	0	124.8
128	T	25.6	Very low	29.6	Very low	141 Å²	141	136.5 Å²	136.5	87%	0.865	80%	0.795	S	S	*	*			trans	91.5	133.5	158.8	-2.4	0	0	0	0	119.5
129	S	26.6	Very low	29.3	Very low	101 Å²	101	135.9 Å²	135.9	71%	0.706	80%	0.796	S	S	*	*			trans	-106.1	148	175.8	165.8	0	0	0	0	110
130	T	25.2	Very low	29.1	Very low	130 Å²	130	141.6 Å²	141.6	80%	0.798	80%	0.8	S	S	*	*			trans	-166.6	122.6	141.5	15.6	0	0	0	0	115.3
131	S	26.9	Very low	29.2	Very low	87 Å²	87	148 Å²	148	61%	0.608	81%	0.812	S	S	*	*			trans	41.7	135.8	132.1	71.5	0	0	0	0	124.7
132	R	23.7	Very low	29.1	Very low	233 Å²	233	150.2 Å²	150.2	88%	0.879	81%	0.811	S	S	*	*			trans	58.1	127.4	132.9	-65.9	171.6	177.6	175.6	-1	120.8
133	I	29.7	Very low	28.2	Very low	164 Å²	164	153.8 Å²	153.8	84%	0.841	82%	0.815	S	S	*	*			trans	-162.3	100.5	132.4	-104.8	151.1	0	0	0	109
134	V	26.1	Very low	28.4	Very low	126 Å²	126	154 Å²	154	76%	0.764	81%	0.813	S	S	*	*				83.7	117.6	99.9	168.3	0	0	0	0	115.1
135	K	26.9	Very low	28.3	Very low	208 Å²	208	158.2 Å²	158.2	90%	0.904	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-70.5	130.8	171.3	-60.6	177.5	179.4	-179.6	0	110.4
136	R	27.7	Very low	27.1	Very low	248 Å²	248	164.6 Å²	164.6	94%	0.936	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-89.6	122.8	165.6	-93.5	-176.3	170	162.4	-1.4	110.9
137	K	26.5	Very low	27.2	Very low	208 Å²	208	168.6 Å²	168.6	90%	0.904	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-74.6	132.9	168.2	-63.2	178.6	179.1	179.4	0	109.4
138	T	29.8	Very low	27.2	Very low	143 Å²	143	170.3 Å²	170.3	88%	0.877	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-86.2	125.1	163.6	36.5	0	0	0	0	109.3
139	A	26.3	Very low	27.1	Very low	95 Å²	95	170.3 Å²	170.3	79%	0.785	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-82.2	138.5	-176.8	0	0	0	0	0	112	K141	A139-K141 PolarHBondContact O-N 2.83Å
140	R	28.6	Very low	27.1	Very low	233 Å²	233	174 Å²	174	88%	0.879	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-60.5	126.3	165.7	-77.9	177.6	168	167	-5.3	109.3	M142	R140-M142 PolarHBondContact O-N 3.45Å
141	K	28.6	Very low	27	Very low	193 Å²	193	173.5 Å²	173.5	84%	0.839	83%	0.833	S	S	*	*			trans	-78.9	111.1	159.4	-85.2	-170.1	172.6	-175.4	0	108.8	A139	A139-K141 PolarHBondContact O-N 2.83Å
142	M	25.8	Very low	27.1	Very low	168 Å²	168	176.5 Å²	176.5	83%	0.828	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-70	139.3	160.5	-74.2	-69	-165.6	0	0	109.3	R140	R140-M142 PolarHBondContact O-N 3.45Å
143	F	31	Very low	27.2	Very low	193 Å²	193	169.8 Å²	169.8	85%	0.846	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-95.3	138.4	164.4	-90.1	-93.6	0	0	0	109.6
144	P	29.5	Very low	27.1	Very low	120 Å²	120	171.9 Å²	171.9	78%	0.779	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-79.4	146.8	-178	31.8	-34.6	0	0	0	112.5
145	K	26.9	Very low	27.1	Very low	205 Å²	205	174.4 Å²	174.4	89%	0.891	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-78.4	141.7	170.1	-64.2	177.5	179.3	177	0	110.8
146	R	27.7	Very low	27.1	Very low	252 Å²	252	167.8 Å²	167.8	95%	0.951	82%	0.815	S	S	*	*			trans	-139.6	154.4	150.1	-78.2	-168.1	173.7	173.9	-2.7	109.2
147	K	24.8	Very low	27.2	Very low	188 Å²	188	162.8 Å²	162.8	82%	0.817	80%	0.802	S	S	*	*			trans	-117.6	145.6	171.8	-90.2	-172.5	167.4	-168	0	108
148	L	26.8	Very low	27.3	Very low	140 Å²	140	158 Å²	158	73%	0.733	80%	0.795	S	S	*	*			trans	58.9	151.6	147	-66.1	166.5	0	0	0	116.9
149	D	24.3	Very low	27.5	Very low	142 Å²	142	159.3 Å²	159.3	76%	0.759	79%	0.791	S	S	*	*			cis	-134.4	-158.9	26.8	-96.8	-50.5	0	0	0	114.4
150	E	25.7	Very low	27.7	Very low	178 Å²	178	160.8 Å²	160.8	83%	0.832	79%	0.79	S	S	*	*			trans	-82.8	158.4	-156.1	-48.6	171.1	114.1	0	0	117.4
151	S	24.6	Very low	27.7	Very low	119 Å²	119	153.4 Å²	153.4	83%	0.832	78%	0.779	S	S	*	*				-174.4	140.2	122.8	56.3	0	0	0	0	114.2
152	E	27.2	Very low	27.6	Very low	150 Å²	150	152.3 Å²	152.3	70%	0.701	78%	0.776	S	S	*	*			trans	-22.8	162.9	165.3	-78.2	-161.3	113	0	0	121.2	R154	E152-R154 IonicContact OE1-CZ 3.62Å; E152-R154 IonicContact OE1-NE 3.68Å; E152-R154 IonicContact OE1-NH2 2.66Å; E152-R154 PolarHBondContact OE1-NH2 3.46Å
153	S	26.3	Very low	27.9	Very low	92 Å²	92	151.7 Å²	151.7	64%	0.643	77%	0.772	S	S	*	*			cis	-162.5	154.3	13.4	30.3	0	0	0	0	115.4
154	R	27	Very low	27.7	Very low	208 Å²	208	150.6 Å²	150.6	79%	0.785	77%	0.769	S	S	*	*			trans	42.8	138	136	-52.5	170.6	-155.6	-158.8	5.5	119.7	E152	E152-R154 IonicContact OE1-CZ 3.62Å; E152-R154 IonicContact OE1-NE 3.68Å; E152-R154 IonicContact OE1-NH2 2.66Å; E152-R154 PolarHBondContact OE1-NH2 3.46Å
155	K	26.3	Very low	27.6	Very low	179 Å²	179	148.3 Å²	148.3	78%	0.778	77%	0.768	S	S	*	*			cis	-139	161.9	28.1	-63.6	-177.7	176.6	-166.8	0	110.1	E157	K155-E157 WeakPolarHBondContact CB-OE1 3.26Å; K155-E157 WeakPolarHBondContact CG-OE1 3.42Å
156	G	28.2	Very low	27.8	Very low	69 Å²	69	146.4 Å²	146.4	71%	0.711	76%	0.762	S	S	*	*			cis	105.9	158.7	21.4	0	0	0	0	0	110.2
157	E	30.3	Very low	27.9	Very low	144 Å²	144	141.4 Å²	141.4	67%	0.673	75%	0.749	S	S	*	*			cis	-131.5	151.7	-8.6	-73.7	82.5	-144.1	0	0	106.1	K155	K155-E157 WeakPolarHBondContact CB-OE1 3.26Å; K155-E157 WeakPolarHBondContact CG-OE1 3.42Å
158	S	27.7	Very low	28	Very low	107 Å²	107	137.9 Å²	137.9	75%	0.748	74%	0.739	S	S	*	*				-129.5	-171.1	50.5	58	0	0	0	0	112.7
159	E	33.1	Very low	28.1	Very low	170 Å²	170	140.1 Å²	140.1	79%	0.794	74%	0.743	S	S	*	*			cis	70.9	146.3	25.5	-102.6	168.7	-99.7	0	0	113.5
160	V	30.5	Very low	28.3	Very low	127 Å²	127	144.7 Å²	144.7	77%	0.77	75%	0.75	S	S	*	*			cis	-149	150.1	10.5	-177.4	0	0	0	0	106.1
161	A	28.8	Very low	29	Very low	77 Å²	77	142.4 Å²	142.4	64%	0.636	75%	0.75	S	S	*	*			cis	-156.9	-161.5	-24.1	0	0	0	0	0	104.8
162	E	28.2	Very low	29.2	Very low	170 Å²	170	146.3 Å²	146.3	79%	0.794	75%	0.747	S	S	*	*			cis	-157.9	158.8	-1.6	-139.2	153	-70.9	0	0	104.4
163	E	30.2	Very low	29.1	Very low	156 Å²	156	147.5 Å²	147.5	73%	0.729	76%	0.757	S	S	*	*			cis	69.2	136.8	38.3	-96.1	-166.1	-136.2	0	0	114.9
164	Q	28.5	Very low	29.3	Very low	169 Å²	169	149 Å²	149	79%	0.79	75%	0.754	S	S	*	*			cis	-133	156	3.7	-60.1	-179.6	-15	0	0	110.4
165	G	26.5	Very low	29.4	Very low	73 Å²	73	145.4 Å²	145.4	75%	0.753	76%	0.76	S	S	*	*				93	145.6	75.7	0	0	0	0	0	112.2
166	Q	30.8	Very low	29.3	Very low	165 Å²	165	140 Å²	140	77%	0.771	76%	0.755	S	S	*	*			cis	-167.4	158.7	-4.9	-138.3	-171.9	54.3	0	0	111.3
167	Q	29.4	Very low	29.3	Very low	147 Å²	147	143.2 Å²	143.2	69%	0.687	76%	0.761	S	S	*	*			trans	72.3	135.5	154.2	-62.7	-170.5	35	0	0	125.4
168	N	27.9	Very low	29.1	Very low	113 Å²	113	141.6 Å²	141.6	60%	0.604	77%	0.765	S	S	*	*			trans	93.8	120.3	130.4	-86.8	-33.6	0	0	0	125.5
169	K	28.6	Very low	29.1	Very low	187 Å²	187	142.2 Å²	142.2	81%	0.813	77%	0.77	S	S	*	*			trans	81	127.4	135.5	-68.8	173.3	-176.3	177.5	0	123
170	R	29	Very low	28.9	Very low	239 Å²	239	138 Å²	138	90%	0.902	77%	0.765	S	S	*	*			trans	-61.1	160.4	157.9	-92	179.2	179.8	-177.1	-0.4	111.9
171	P	39.8	Very low	28.9	Very low	130 Å²	130	139.9 Å²	139.9	84%	0.844	77%	0.765	S	S	*	*				-149.2	-174.2	61.7	41.9	-20.6	0	0	0	119.3
172	R	28.9	Very low	29	Very low	201 Å²	201	143 Å²	143	76%	0.758	77%	0.77	S	S	*	*			trans	-79.3	153.7	-175.6	166.7	-170.1	-177.2	-175.7	3.1	113.7	E174	R172-E174 IonicContact CZ-OE1 2.73Å; R172-E174 IonicContact NE-OE1 2.69Å; R172-E174 PolarHBondContact NE-OE1 2.82Å; R172-E174 IonicContact NH2-OE1 3.26Å; R172-E174 PolarHBondContact NH2-OE1 3.16Å; R172-E174 IonicContact NH2-OE2 2.72Å
173	L	26.1	Very low	29	Very low	174 Å²	174	140.7 Å²	140.7	91%	0.911	77%	0.768	S	S	*	*			trans	-151.9	164.8	152	-111.7	163.4	0	0	0	110.3
174	E	30.7	Very low	28.8	Very low	125 Å²	125	140.7 Å²	140.7	58%	0.584	77%	0.773	S	S	*	*			trans	-137.5	166.5	-170.7	-94.2	166.2	-126.8	0	0	112	R172	R172-E174 IonicContact CZ-OE1 2.73Å; R172-E174 IonicContact NE-OE1 2.69Å; R172-E174 PolarHBondContact NE-OE1 2.82Å; R172-E174 IonicContact NH2-OE1 3.26Å; R172-E174 PolarHBondContact NH2-OE1 3.16Å; R172-E174 IonicContact NH2-OE2 2.72Å
175	S	28.7	Very low	28.9	Very low	131 Å²	131	141.3 Å²	141.3	92%	0.916	78%	0.776	S	S	*	*			trans	66.5	151.2	-177.9	75	0	0	0	0	115.6
176	G	24.7	Very low	29.8	Very low	65 Å²	65	143.3 Å²	143.3	67%	0.67	78%	0.776	S	S	*	*			cis	164.5	-177.4	-7.3	0	0	0	0	0	112.2
177	V	27.2	Very low	29.7	Very low	138 Å²	138	143.9 Å²	143.9	84%	0.836	78%	0.781	S	S	*	*			trans	86.5	131.9	160.6	-171.9	0	0	0	0	120
178	S	25.2	Very low	29.9	Very low	109 Å²	109	145.4 Å²	145.4	76%	0.762	79%	0.788	S	S	*	*			trans	57.8	129.7	154.3	69.3	0	0	0	0	124
179	S	28.5	Very low	30	Very low	120 Å²	120	148.5 Å²	148.5	84%	0.839	80%	0.799	S	S	*	*				-150.4	130.5	118.5	60.9	0	0	0	0	111
180	A	29.4	Very low	29.8	Very low	83 Å²	83	142.9 Å²	142.9	69%	0.686	79%	0.794	S	S	*	*			trans	-96.6	-176.1	169.5	0	0	0	0	0	109.3
181	E	30.8	Very low	29.7	Very low	166 Å²	166	136 Å²	136	78%	0.776	79%	0.788	S	S	*	*			cis	-164.8	141.4	6.7	-144.1	153.3	-137.9	0	0	110.7
182	N	30.3	Very low	29.2	Very low	141 Å²	141	137.9 Å²	137.9	75%	0.754	78%	0.783	S	S	*	*			trans	61.2	171.1	134.5	-72.6	3.6	0	0	0	127.1
183	T	27.3	Very low	29.2	Very low	122 Å²	122	134.7 Å²	134.7	75%	0.748	78%	0.776	S	S	*	*			trans	85	127.7	-175.3	66.1	0	0	0	0	115.8
184	D	26.1	Very low	29.3	Very low	156 Å²	156	133.2 Å²	133.2	83%	0.834	77%	0.765	S	S	*	*			cis	-147.8	161.3	-8.5	-101	-29.5	0	0	0	113.1
185	E	31.5	Very low	29.2	Very low	183 Å²	183	134.4 Å²	134.4	86%	0.855	77%	0.768	S	S	*	*			trans	-93.4	-175	179.5	-106.9	-177.9	-161.7	0	0	111.8
186	P	44.7	Very low	29	Very low	114 Å²	114	134 Å²	134	74%	0.74	76%	0.76	S	S	*	*			cis	-135.5	-173.3	14.7	42	-22.6	0	0	0	116.9
187	M	29.6	Very low	29.2	Very low	177 Å²	177	137.3 Å²	137.3	87%	0.872	76%	0.758	S	S	*	*			trans	-100.4	-160.8	170.6	-62	-165.5	-175.4	0	0	112.8
188	E	33.8	Very low	29.2	Very low	179 Å²	179	138.5 Å²	138.5	84%	0.836	75%	0.752	S	S	*	*			trans	89.4	145.9	164.2	-55.9	-161.7	141.6	0	0	116.9
189	E	28.3	Very low	30.7	Very low	179 Å²	179	138.7 Å²	138.7	84%	0.836	75%	0.75	S	S	*	*			cis	-151.4	173.3	6.3	-143.7	-166.8	162.7	0	0	112.5
190	G	24.5	Very low	30.7	Very low	69 Å²	69	139.8 Å²	139.8	71%	0.711	75%	0.752	S	S	*	*			trans	92.1	114.7	163.4	0	0	0	0	0	116.4
191	A	28.1	Very low	30.8	Very low	93 Å²	93	139.7 Å²	139.7	77%	0.769	75%	0.751	S	S	*	*			cis	105.6	139.2	13.3	0	0	0	0	0	115.8
192	K	28.6	Very low	30.6	Very low	170 Å²	170	140.4 Å²	140.4	74%	0.739	75%	0.754	S	S	*	*			trans	72.5	147.8	170.1	-63.1	171.4	157.2	-80.2	0	117.5
193	E	28.5	Very low	30.5	Very low	134 Å²	134	137.5 Å²	137.5	63%	0.626	75%	0.75	S	S	*	*			cis	-159.8	154.5	-9.6	-115.7	161.4	171.1	0	0	112.4
194	E	28.6	Very low	30.4	Very low	144 Å²	144	139.9 Å²	139.9	67%	0.673	76%	0.758	S	S	*	*			trans	40.2	147.4	149.3	-63.5	-168.3	157.5	0	0	122.5
195	K	28.1	Very low	30.5	Very low	150 Å²	150	137.9 Å²	137.9	65%	0.652	76%	0.756	S	S	*	*			cis	-154.4	-162.6	1.2	-116.5	161.1	-170.5	148.6	0	106.7
196	V	26.1	Very low	31.4	Very low	123 Å²	123	134.5 Å²	134.5	75%	0.745	75%	0.75	S	S	*	*			cis	-155.6	150.9	12.2	-125.6	0	0	0	0	104.4
197	E	28.7	Very low	30.8	Very low	133 Å²	133	135.8 Å²	135.8	62%	0.621	75%	0.751	S	S	*	*			cis	73.5	127.4	30.6	-55.6	-107.5	103.2	0	0	114
198	K	27.3	Very low	30.8	Very low	163 Å²	163	136 Å²	136	71%	0.709	75%	0.749	S	S	*	*			cis	-164.6	178.5	0.7	-117.6	175.6	176.7	132.6	0	111
199	P	56.6	Low	30.8	Very low	113 Å²	113	135.9 Å²	135.9	73%	0.734	75%	0.749	S	S	*	*			trans	-112.3	-149.9	-176.8	40.8	-29.3	0	0	0	114.2
200	V	28.9	Very low	31	Very low	144 Å²	144	133.8 Å²	133.8	87%	0.873	75%	0.748	S	S	*	*			trans	104	158.9	163	-170.3	0	0	0	0	117.4
201	A	29.9	Very low	31.1	Very low	80 Å²	80	133.4 Å²	133.4	66%	0.661	74%	0.744	S	S	*	*			trans	88.7	142	174.7	0	0	0	0	0	116.9
202	E	26.6	Very low	31.2	Very low	181 Å²	181	136.1 Å²	136.1	85%	0.846	75%	0.746	S	S	*	*			cis	-155.8	146.3	-10.2	-103.3	156.1	-166.7	0	0	105.6
203	A	28.5	Very low	31.6	Very low	81 Å²	81	134.7 Å²	134.7	67%	0.669	74%	0.742	S	S	*	*			cis	79.9	96.7	41.2	0	0	0	0	0	115.3
204	N	26.1	Very low	31.8	Very low	172 Å²	172	135.3 Å²	135.3	92%	0.92	74%	0.742	S	S	*	*			trans	-170.6	154.6	142.5	-102	-41.7	0	0	0	113.5
205	S	26.8	Very low	31.9	Very low	113 Å²	113	134.3 Å²	134.3	79%	0.79	75%	0.746	S	S	*	*			trans	-104.6	-177.7	178.7	-53.3	0	0	0	0	110.1
206	P	51.6	Low	32.1	Very low	112 Å²	112	136 Å²	136	73%	0.727	76%	0.756	S	S	*	*			cis	-128.5	-162.4	6.5	46.7	-28.9	0	0	0	112.4
207	D	30.6	Very low	32.1	Very low	141 Å²	141	132.9 Å²	132.9	75%	0.754	75%	0.749	S	S	*	*			cis	-132.7	-122.7	2.8	-144.7	-50.9	0	0	0	112.1
208	E	30.1	Very low	32.1	Very low	181 Å²	181	133.8 Å²	133.8	85%	0.846	75%	0.754	S	S	*	*			cis	-154.2	170.9	2.8	-159.9	169.8	-93.3	0	0	110.3
209	E	34.9	Very low	32.1	Very low	178 Å²	178	133.8 Å²	133.8	83%	0.832	75%	0.754	S	S	*	*			trans	-73.7	156.5	-174.4	-45	-170.2	129.8	0	0	113.6
210	V	31.7	Very low	30.8	Very low	135 Å²	135	133 Å²	133	82%	0.818	76%	0.757	S	S	*	*			cis	-144.8	153.6	16	-177.4	0	0	0	0	107.4
211	G	26.4	Very low	30.7	Very low	61 Å²	61	135.9 Å²	135.9	63%	0.629	76%	0.757	S	S	*	*			cis	141.7	151.6	-0.2	0	0	0	0	0	112.2
212	N	29.9	Very low	30.5	Very low	149 Å²	149	141.2 Å²	141.2	80%	0.797	77%	0.766	S	S	*	*			trans	63.5	113	177.6	-69.4	-0.8	0	0	0	118.5
213	E	37	Very low	30.4	Very low	141 Å²	141	141.1 Å²	141.1	66%	0.659	77%	0.765	S	S	*	*				101.7	142.6	52	-86.3	-159.2	149.3	0	0	111.9
214	K	32.5	Very low	30.3	Very low	146 Å²	146	145.6 Å²	145.6	64%	0.635	77%	0.772	S	S	*	*			cis	-158	145.3	16.3	-134.4	171.1	177.5	80.7	0	111.7
215	T	32.4	Very low	30.4	Very low	123 Å²	123	144.9 Å²	144.9	76%	0.755	76%	0.763	S	S	*	*			trans	32.7	145.2	146.2	53.7	0	0	0	0	122.2
216	E	30.4	Very low	30.4	Very low	185 Å²	185	146.9 Å²	146.9	86%	0.864	76%	0.76	S	S	*	*			cis	-150.9	-150.3	11.7	-139.7	-161.1	-96.6	0	0	110.5
217	G	27.7	Very low	29.2	Very low	58 Å²	58	147.7 Å²	147.7	60%	0.598	76%	0.763	S	S	*	*			cis	179.9	-167.6	9.1	0	0	0	0	0	113.6
218	E	28.7	Very low	29	Very low	152 Å²	152	149.7 Å²	149.7	71%	0.71	77%	0.768	S	S	*	*			trans	-123.2	158.1	-166.9	-92.1	-154.8	115.7	0	0	118.9
219	K	27.4	Very low	28.8	Very low	164 Å²	164	147.5 Å²	147.5	71%	0.713	76%	0.757	S	S	*	*			trans	66.4	106.6	145.5	-75.1	164	177.5	137.8	0	123.9
220	A	29.6	Very low	28.4	Very low	96 Å²	96	146.3 Å²	146.3	79%	0.793	75%	0.75	S	S	*	*				54.6	138.2	120.8	0	0	0	0	0	125.4
221	K	26.7	Very low	28.1	Very low	204 Å²	204	147.4 Å²	147.4	89%	0.887	75%	0.749	S	S	*	*			trans	70	110.1	160.5	-69.7	-173.7	175.1	-177.3	0	120.4
222	K	24.4	Very low	28	Very low	192 Å²	192	149.6 Å²	149.6	84%	0.835	76%	0.755	S	S	*	*				-177	177.1	106.4	-110.3	-165.9	167.7	-152.3	0	113.7
223	E	25.8	Very low	27.8	Very low	180 Å²	180	149.7 Å²	149.7	84%	0.841	76%	0.755	S	S	*	*			trans	-109.2	-165.7	-178.5	-62.4	166.4	107.1	0	0	111.8
224	E	25.6	Very low	27.2	Very low	174 Å²	174	151.3 Å²	151.3	81%	0.813	76%	0.763	S	S	*	*			trans	83.5	150.2	175.7	-56.8	168.2	-162.5	0	0	117.2
225	E	28.1	Very low	26.8	Very low	157 Å²	157	152.6 Å²	152.6	73%	0.734	77%	0.768	S	S	*	*			cis	-162.6	173.9	-48.2	-141.1	-163.6	-166.5	0	0	110.7
226	Q	26.1	Very low	26.5	Very low	155 Å²	155	153 Å²	153	72%	0.724	76%	0.762	S	S	*	*			trans	67.1	140.8	162.8	-63.8	161.5	37.9	0	0	118.3
227	V	27.6	Very low	26.2	Very low	130 Å²	130	152.8 Å²	152.8	79%	0.788	76%	0.758	S	S	*	*			cis	96.3	116.6	11.9	-177.7	0	0	0	0	116.8
228	E	25.3	Very low	26	Very low	182 Å²	182	160 Å²	160	85%	0.85	77%	0.773	S	S	*	*			trans	-154.9	130.6	145	-99.9	-175.2	171.8	0	0	106.9
229	E	27	Very low	25.7	Very low	135 Å²	135	157.7 Å²	157.7	63%	0.631	78%	0.78	S	S	*	*				70	148.7	78.5	-65.7	-81.9	123	0	0	114.5
230	K	25.6	Very low	25.6	Very low	153 Å²	153	159.1 Å²	159.1	67%	0.665	79%	0.789	S	S	*	*			cis	-171.6	-165.1	-35.9	-150.1	-169.2	-106.3	135.5	0	107.4
231	I	25.4	Very low	25.3	Very low	159 Å²	159	158.1 Å²	158.1	82%	0.815	79%	0.788	S	S	*	*			trans	74.4	147.7	165.3	-39	-169.9	0	0	0	112.7
232	S	25.3	Very low	25.2	Very low	106 Å²	106	152.7 Å²	152.7	74%	0.741	78%	0.782	S	S	*	*			cis	-136.4	164.1	20.7	65.4	0	0	0	0	116.6
233	D	24.3	Very low	25.3	Very low	152 Å²	152	151 Å²	151	81%	0.813	78%	0.777	S	S	*	*			trans	-88.9	176.7	178.9	-75.2	-69.5	0	0	0	116.2
234	E	25.9	Very low	25.4	Very low	174 Å²	174	150 Å²	150	81%	0.813	77%	0.77	S	S	*	*			trans	-1.1	145.7	163.8	-55.9	-166	132.7	0	0	122.5
235	K	23.9	Very low	25.6	Very low	173 Å²	173	149.3 Å²	149.3	75%	0.752	76%	0.764	S	S	*	*				-173.7	143.4	106.8	-103.6	166.5	171.2	-95.9	0	118.6
236	E	24.8	Very low	25.4	Very low	133 Å²	133	146.7 Å²	146.7	62%	0.621	76%	0.755	S	S	*	*			trans	44.4	110.7	139.9	-68.5	179.8	115.4	0	0	125.9
237	K	24.3	Very low	25.5	Very low	180 Å²	180	146.1 Å²	146.1	78%	0.783	75%	0.752	S	S	*	*				45.9	122.3	117.4	-67.6	175.2	-177.2	162.1	0	123.2
238	K	25.2	Very low	25.6	Very low	208 Å²	208	144.1 Å²	144.1	90%	0.904	75%	0.749	S	S	*	*			trans	62.2	118.9	130.6	-76.9	-165.8	167.7	-163.8	0	122.2
239	A	22.3	Very low	25.7	Very low	105 Å²	105	143.3 Å²	143.3	87%	0.868	74%	0.743	S	S	*	*			trans	-161.5	-173.7	131.1	0	0	0	0	0	109.2
240	E	23.8	Very low	25.8	Very low	194 Å²	194	142.6 Å²	142.6	91%	0.907	74%	0.74	S	S	*	*				-155.1	145.5	-91.6	-172.9	166.1	-118.4	0	0	110.2
241	G	23.3	Very low	25.9	Very low	74 Å²	74	143.3 Å²	143.3	76%	0.763	74%	0.743	S	S	*	*			trans	66	179.5	174.2	0	0	0	0	0	118.4
242	A	25.1	Very low	26.3	Very low	91 Å²	91	140.6 Å²	140.6	75%	0.752	73%	0.734	S	S	*	*			cis	178.1	166.2	-38.1	0	0	0	0	0	110.2
243	E	26.4	Very low	26.6	Very low	157 Å²	157	142.8 Å²	142.8	73%	0.734	74%	0.737	S	S	*	*			trans	70.4	156.9	169	-56.2	-150.7	129.8	0	0	116.9
244	K	28.6	Very low	27.1	Very low	159 Å²	159	143 Å²	143	69%	0.691	74%	0.738	S	S	*	*			cis	-165.2	164.1	-7.4	-112.2	166.7	-177.7	145.6	0	105.6
245	K	29.5	Very low	27.4	Very low	158 Å²	158	141.4 Å²	141.4	69%	0.687	73%	0.73	S	S	*	*			cis	-165.7	-175.7	-14.9	-160.1	-174.2	159	-99.5	0	106.1	E247	K245-E247 IonicContact NZ-OE1 2.66Å
246	N	24.9	Very low	27.5	Very low	103 Å²	103	140.7 Å²	140.7	55%	0.551	73%	0.728	S	S	*	*			trans	77.8	139.5	154.2	-74.2	21.5	0	0	0	119.4
247	E	26.7	Very low	27.3	Very low	143 Å²	143	145.5 Å²	145.5	67%	0.668	74%	0.74	S	S	*	*			cis	-158.3	153.9	-11.5	-130.9	152.2	-151	0	0	113.1	K245	K245-E247 IonicContact NZ-OE1 2.66Å
248	A	29.7	Very low	28.3	Very low	87 Å²	87	141.6 Å²	141.6	72%	0.719	73%	0.733	S	S	*	*			trans	41.8	145.8	133.6	0	0	0	0	0	121.9
249	K	27.6	Very low	28.3	Very low	166 Å²	166	136.9 Å²	136.9	72%	0.722	73%	0.726	S	S	*	*			cis	-173.3	172.3	5.1	-110.1	-159.1	177.4	-139.3	0	106.8
250	E	29.9	Very low	28.5	Very low	120 Å²	120	138.4 Å²	138.4	56%	0.561	72%	0.724	S	S	*	*			cis	-175.4	172.1	-19	-166.1	172.5	-105.7	0	0	109.1
251	K	27.7	Very low	28.7	Very low	168 Å²	168	133.8 Å²	133.8	73%	0.73	72%	0.719	S	S	*	*			trans	84.4	138.5	158	-58.2	-157.1	175.7	-165.9	0	121.4
252	T	33.4	Very low	29	Very low	102 Å²	102	139.1 Å²	139.1	63%	0.626	72%	0.722	S	S	*	*			cis	-176.9	169.4	-40.5	39.6	0	0	0	0	107.8
253	D	31.8	Very low	29	Very low	151 Å²	151	141.3 Å²	141.3	81%	0.807	72%	0.721	S	S	*	*			cis	-129.3	-138.6	18.5	-74.9	-95.5	0	0	0	112.8
254	D	34.3	Very low	29.2	Very low	156 Å²	156	143 Å²	143	83%	0.834	73%	0.725	S	S	*	*			trans	-109.1	-119.5	-168	-166.1	42	0	0	0	114
255	E	32.7	Very low	29	Very low	141 Å²	141	141.8 Å²	141.8	66%	0.659	73%	0.731	S	S	*	*			cis	-148.9	153.4	9.8	-144.5	-142	163.2	0	0	114.7
256	K	25.3	Very low	28.8	Very low	159 Å²	159	143.4 Å²	143.4	69%	0.691	74%	0.739	S	S	*	*			trans	85.2	153.9	155	-92.4	175.2	-176.6	77.2	0	122
257	R	20.8	Very low	28.8	Very low	234 Å²	234	147.2 Å²	147.2	88%	0.883	75%	0.753	S	S	*	*			trans	-167	-175.3	-166	-127.6	-174.7	-178.8	-157.9	4.3	106.2
258	P	46.2	Very low	28.8	Very low	98 Å²	98	148.2 Å²	148.2	64%	0.636	76%	0.755	S	S	*	*			cis	-136.5	-158.6	-17.1	41	-21.4	0	0	0	113.5
259	S	24	Very low	28.6	Very low	109 Å²	109	149.1 Å²	149.1	76%	0.762	75%	0.748	S	S	*	*			trans	79.1	160.5	153.8	78.9	0	0	0	0	119.4
260	V	28.1	Very low	28.5	Very low	137 Å²	137	146.4 Å²	146.4	83%	0.83	75%	0.746	S	S	*	*			cis	-169.7	141.5	-49.2	130.7	0	0	0	0	108.2
261	A	26.1	Very low	28.2	Very low	97 Å²	97	149.3 Å²	149.3	80%	0.802	76%	0.756	S	S	*	*			trans	-157.7	160	162.3	0	0	0	0	0	110.9
262	K	30.8	Very low	28	Very low	186 Å²	186	146.2 Å²	146.2	81%	0.809	75%	0.748	S	S	*	*			trans	-148	155.7	-178.7	-69.2	179.2	179.3	171.9	0	111.8
263	D	25.1	Very low	27.5	Very low	137 Å²	137	148 Å²	148	73%	0.733	76%	0.758	S	S	*	*				161.2	133.4	125.6	-80.8	-23.4	0	0	0	109.1
264	K	30.2	Very low	27.2	Very low	191 Å²	191	144.1 Å²	144.1	83%	0.83	76%	0.755	S	S	*	*				62.7	137.5	72.5	-71.6	-168.5	170.5	-168.4	0	112
265	V	23.9	Very low	26.9	Very low	135 Å²	135	142.5 Å²	142.5	82%	0.818	76%	0.756	S	S	*	*				-146.2	179.4	55.8	166.3	0	0	0	0	112.3
266	F	25.4	Very low	27.2	Very low	192 Å²	192	141.2 Å²	141.2	84%	0.842	76%	0.76	S	S	*	*			trans	-63.3	-173.7	165.3	-93.4	-126.8	0	0	0	111.2
267	E	25.2	Very low	27.2	Very low	183 Å²	183	143 Å²	143	86%	0.855	77%	0.767	S	S	*	*			cis	-160.9	-144.7	38.2	-156.8	157.7	-135.4	0	0	112.9
268	K	25.8	Very low	27.5	Very low	163 Å²	163	136.2 Å²	136.2	71%	0.709	76%	0.756	S	S	*	*			trans	-139.5	169.1	-153.1	-165.7	179.1	160.5	-73.8	0	112.8
269	D	26.8	Very low	26.7	Very low	106 Å²	106	139.6 Å²	139.6	57%	0.567	76%	0.763	S	S	*	*			trans	93.4	117.7	153.4	-74.2	-45.7	0	0	0	122.8
270	T	24.3	Very low	27	Very low	110 Å²	110	141.8 Å²	141.8	68%	0.675	76%	0.763	S	S	*	*			trans	75.7	130.1	134.9	59.8	0	0	0	0	123.6
271	K	24.7	Very low	27	Very low	180 Å²	180	142 Å²	142	78%	0.783	76%	0.755	S	S	*	*			trans	68.8	158.3	133.3	-80.4	179.1	164.6	-94.3	0	119
272	D	24.1	Very low	27.2	Very low	104 Å²	104	141.9 Å²	141.9	56%	0.556	74%	0.738	S	S	*	*			cis	-153.7	163.2	-15.2	-138.5	-40.8	0	0	0	109.4
273	T	23.1	Very low	27	Very low	138 Å²	138	140.1 Å²	140.1	85%	0.847	73%	0.73	S	S	*	*			trans	57.9	161.8	163.6	61.6	0	0	0	0	118.5
274	G	23.6	Very low	27.2	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	73%	0.727	S	S	*	*			cis	174.4	148.2	-10.6	0	0	0	0	0	111.9
275	S	29.6	Very low	27.3	Very low	122 Å²	122	138 Å²	138	85%	0.853	72%	0.717	S	S	*	*			trans	-74.6	151.2	172.6	-46.2	0	0	0	0	111
276	P	37.8	Very low	27.5	Very low	114 Å²	114	138.9 Å²	138.9	74%	0.74	71%	0.709	S	S	*	*				-156.2	171.6	87.7	41.7	-22.6	0	0	0	118.1
277	K	26.1	Very low	27.6	Very low	196 Å²	196	136.2 Å²	136.2	85%	0.852	70%	0.7	S	S	*	*			trans	11.2	149.7	138.3	-64.9	178.5	-179	177.5	0	120
278	S	27.6	Very low	27.6	Very low	91 Å²	91	132.6 Å²	132.6	64%	0.636	70%	0.701	S	S	*	*			cis	177.7	-173.1	-0.6	49.2	0	0	0	0	112.1
279	Q	29.3	Very low	27.7	Very low	169 Å²	169	133.4 Å²	133.4	79%	0.79	70%	0.704	S	S	*	*			trans	80.8	156.4	156.9	-70.7	179.7	-24.2	0	0	117.8
280	M	28.6	Very low	27.8	Very low	156 Å²	156	134.1 Å²	134.1	77%	0.768	70%	0.704	S	S	*	*			cis	-159.4	-167.8	-1.1	-128.4	172.3	83.4	0	0	115.7
281	E	28.6	Very low	28	Very low	140 Å²	140	136 Å²	136	65%	0.654	71%	0.705	S	S	*	*			trans	90.7	162.4	168.5	-101.3	-71.6	142.2	0	0	118.6	K283	E281-K283 IonicContact OE1-NZ 2.66Å; E281-K283 PolarHBondContact OE1-NZ 2.83Å; E281-K283 IonicContact OE2-NZ 2.65Å; E281-K283 PolarHBondContact OE2-NZ 2.71Å
282	E	30.6	Very low	28	Very low	96 Å²	96	135.4 Å²	135.4	45%	0.449	70%	0.703	S	S	.	*			trans	-173.9	146.6	-134.7	174.7	-128.3	-114.6	0	0	112.5	K284	E282-K284 WeakPolarHBondContact OE1-CE 3.43Å; E282-K284 IonicContact OE1-NZ 2.76Å; E282-K284 PolarHBondContact OE1-NZ 2.78Å; E282-K284 VanDerWaalsContact OE2-CD 3.22Å; E282-K284 WeakPolarHBondContact OE2-CD 3.49Å; E282-K284 WeakPolarHBondContact OE2-CE 3.01Å; E282-K284 IonicContact OE2-NZ 2.74Å; E282-K284 PolarHBondContact OE2-NZ 2.61Å
283	K	26	Very low	28.1	Very low	148 Å²	148	135.8 Å²	135.8	64%	0.643	71%	0.705	S	S	*	*			trans	-177.1	132.2	142.4	-91.7	137.2	-154.3	68.6	0	109.6	E281	E281-K283 IonicContact OE1-NZ 2.66Å; E281-K283 PolarHBondContact OE1-NZ 2.83Å; E281-K283 IonicContact OE2-NZ 2.65Å; E281-K283 PolarHBondContact OE2-NZ 2.71Å
284	K	29.3	Very low	28.2	Very low	154 Å²	154	138 Å²	138	67%	0.67	70%	0.702	S	S	*	*			cis	79.2	139.4	47.8	-72.8	180	179.1	146.9	0	113.5	E282	E282-K284 WeakPolarHBondContact OE1-CE 3.43Å; E282-K284 IonicContact OE1-NZ 2.76Å; E282-K284 PolarHBondContact OE1-NZ 2.78Å; E282-K284 VanDerWaalsContact OE2-CD 3.22Å; E282-K284 WeakPolarHBondContact OE2-CD 3.49Å; E282-K284 WeakPolarHBondContact OE2-CE 3.01Å; E282-K284 IonicContact OE2-NZ 2.74Å; E282-K284 PolarHBondContact OE2-NZ 2.61Å
285	Q	32	Very low	28.2	Very low	131 Å²	131	143.1 Å²	143.1	61%	0.612	71%	0.708	S	S	*	*			cis	-154.8	-153.7	-21.2	-139.6	-160.8	4.1	0	0	107.1	E287	Q285-E287 PolarHBondContact NE2-OE1 2.68Å
286	K	29.6	Very low	29	Very low	152 Å²	152	143.1 Å²	143.1	66%	0.661	70%	0.704	S	S	*	*			cis	-157.2	119.1	8.8	-165.8	161.1	-174.8	63.7	0	114.6
287	E	27.8	Very low	28.4	Very low	137 Å²	137	142.4 Å²	142.4	64%	0.64	71%	0.709	S	S	*	*			trans	23	136.1	134.1	-50.1	166.4	157.2	0	0	124.2	Q285	Q285-E287 PolarHBondContact NE2-OE1 2.68Å
288	A	25	Very low	28.4	Very low	106 Å²	106	142.6 Å²	142.6	88%	0.876	71%	0.709	S	S	*	*			trans	-165	144.2	135.6	0	0	0	0	0	115.3
289	K	27.2	Very low	28.5	Very low	181 Å²	181	147.1 Å²	147.1	79%	0.787	72%	0.717	S	S	*	*			trans	-65.7	173.6	179.5	-71.2	167.4	161.6	-93.9	0	116.3
290	E	28.3	Very low	28.4	Very low	120 Å²	120	145.3 Å²	145.3	56%	0.561	72%	0.718	S	S	*	*			cis	-171.4	156.9	-17.5	-110.3	-177.9	89	0	0	112.3
291	Q	28.3	Very low	28.7	Very low	149 Å²	149	143.4 Å²	143.4	70%	0.696	72%	0.718	S	S	*	*			trans	64.5	153.3	156	-66.8	-178.1	47	0	0	118.6
292	K	26.6	Very low	28.9	Very low	168 Å²	168	145.1 Å²	145.1	73%	0.73	73%	0.729	S	S	*	*			cis	-154.2	167.9	13.3	-144.8	174.4	-173	176.9	0	114.5
293	D	24.9	Very low	28.8	Very low	113 Å²	113	144.9 Å²	144.9	60%	0.604	74%	0.738	S	S	*	*			trans	80	112.9	158.8	-77.8	-49.1	0	0	0	123.2
294	K	25.1	Very low	28.9	Very low	183 Å²	183	142.7 Å²	142.7	80%	0.796	74%	0.741	S	S	*	*			trans	68.1	143	137.2	-65.6	171.8	-171.9	175.4	0	120.5
295	E	24.3	Very low	29.1	Very low	180 Å²	180	145.5 Å²	145.5	84%	0.841	75%	0.754	S	S	*	*			cis	-164.4	158	-6.9	179.8	167.7	-132.3	0	0	110.2
296	P	46.1	Very low	29.1	Very low	121 Å²	121	148.6 Å²	148.6	79%	0.786	77%	0.766	S	S	*	*			trans	-125.9	137	-170.6	38.2	-23.4	0	0	0	118.3
297	A	26.2	Very low	29.1	Very low	100 Å²	100	145.6 Å²	145.6	83%	0.826	77%	0.77	S	S	*	*			trans	-159.4	132.7	169.5	0	0	0	0	0	119.6
298	K	26	Very low	29.3	Very low	199 Å²	199	145.3 Å²	145.3	87%	0.865	78%	0.779	S	S	*	*			trans	30.1	122.8	137.7	-60.9	173.3	-177.4	170.9	0	125
299	K	28.8	Very low	29.5	Very low	186 Å²	186	152.4 Å²	152.4	81%	0.809	78%	0.783	S	S	*	*				53.6	131.7	127.4	-68.2	-167.9	174.7	-173.1	0	124.7
300	T	26.6	Very low	29.5	Very low	131 Å²	131	153.4 Å²	153.4	80%	0.804	79%	0.788	S	S	*	*			trans	67	157.2	143.9	46.7	0	0	0	0	120.8
301	P	34.8	Very low	29.6	Very low	117 Å²	117	152.5 Å²	152.5	76%	0.76	80%	0.801	S	S	*	*			cis	-122.1	-177.5	-11	39.8	-25.3	0	0	0	113.9
302	I	32.5	Very low	29.6	Very low	175 Å²	175	150.4 Å²	150.4	90%	0.897	81%	0.809	S	S	*	*			trans	-113	131.5	163.1	-65	175.4	0	0	0	108.2
303	S	29.6	Very low	29.5	Very low	92 Å²	92	148.7 Å²	148.7	64%	0.643	81%	0.812	S	S	*	*			trans	-113.5	158.2	-173.9	62.7	0	0	0	0	114
304	S	27.9	Very low	29.7	Very low	101 Å²	101	152.9 Å²	152.9	71%	0.706	83%	0.825	S	S	*	*			trans	51.4	91.2	149.7	58.3	0	0	0	0	118.2
305	F	32.6	Very low	29.7	Very low	214 Å²	214	150.8 Å²	150.8	94%	0.939	83%	0.828	S	S	*	*			trans	-119.2	21.7	156.8	-130	-88.3	0	0	0	113.3
306	F	32.9	Very low	29.8	Very low	196 Å²	196	150.8 Å²	150.8	86%	0.86	83%	0.828	S	S	*	*			trans	-112.8	109.5	175.2	-85.6	-90.6	0	0	0	110.8
307	A	29.7	Very low	28.8	Very low	89 Å²	89	154.2 Å²	154.2	74%	0.736	83%	0.83	S	S	*	*			trans	-147.8	126.3	165	0	0	0	0	0	109.1
308	P	31	Very low	28.9	Very low	130 Å²	130	155.1 Å²	155.1	84%	0.844	83%	0.827	S	S	*	*			trans	-80.5	132.4	-171	30.6	-34.6	0	0	0	112.8	K310	P308-K310 PolarHBondContact O-N 3.15Å
309	R	29.4	Very low	28.9	Very low	255 Å²	255	154.4 Å²	154.4	96%	0.962	83%	0.827	S	S	*	*			trans	-81.1	108.9	170	-72.5	-174	173.8	-168.2	-1.8	110.6
310	K	28.7	Very low	28.7	Very low	203 Å²	203	155.3 Å²	155.3	88%	0.883	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-82.1	155.5	163.4	-80.7	-173.3	174	179.5	0	111.1	P308	P308-K310 PolarHBondContact O-N 3.15Å
311	A	29.2	Very low	28.6	Very low	100 Å²	100	155.8 Å²	155.8	83%	0.826	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-68.8	147.8	-174.9	0	0	0	0	0	113.6
312	A	27.5	Very low	28.2	Very low	105 Å²	105	159.5 Å²	159.5	87%	0.868	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-92	131.6	173.2	0	0	0	0	0	111.2
313	V	25.6	Very low	27.8	Very low	132 Å²	132	154.3 Å²	154.3	80%	0.8	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-93.4	142.5	174.8	171.4	0	0	0	0	109.6
314	K	30.1	Very low	27.7	Very low	202 Å²	202	157.8 Å²	157.8	88%	0.878	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-69.2	131.1	170.6	-73.4	-175	175.9	-176.8	0	111
315	T	24.8	Very low	27.5	Very low	138 Å²	138	160.4 Å²	160.4	85%	0.847	83%	0.827	S	S	*	*			trans	-140.8	150.4	155.3	23.7	0	0	0	0	108.9
316	E	24.8	Very low	27.2	Very low	180 Å²	180	158.9 Å²	158.9	84%	0.841	82%	0.82	S	S	*	*			trans	-101.2	179.7	-161.1	-54	175	134.7	0	0	114
317	K	25.3	Very low	26.8	Very low	194 Å²	194	155.8 Å²	155.8	84%	0.843	82%	0.817	S	S	*	*			trans	95.8	151.5	167.5	-61.3	-176.2	177.2	-176.2	0	116.9
318	P	28	Very low	26.6	Very low	118 Å²	118	157 Å²	157	77%	0.766	82%	0.821	S	S	*	*			cis	-130.7	-175.6	-28.8	35	-17.2	0	0	0	112.9
319	E	27.7	Very low	26.3	Very low	185 Å²	185	155.6 Å²	155.6	86%	0.864	82%	0.82	S	S	*	*			trans	-64	146.2	174.8	-52.5	174.4	112.6	0	0	113.6
320	K	24.3	Very low	26.2	Very low	204 Å²	204	151.8 Å²	151.8	89%	0.887	81%	0.813	S	S	*	*			trans	-159.9	91.5	143.2	-118.4	172.1	-174.5	179	0	114.6
321	N	23.9	Very low	26	Very low	142 Å²	142	154.2 Å²	154.2	76%	0.759	82%	0.817	S	S	*	*			trans	28.1	131	136	-117.2	-35.9	0	0	0	122.1
322	K	26.2	Very low	25.9	Very low	195 Å²	195	158.6 Å²	158.6	85%	0.848	82%	0.817	S	S	*	*			trans	72	135	155.6	-54.8	-177.9	-179.4	179.3	0	118.5
323	G	24.5	Very low	25.7	Very low	65 Å²	65	158.8 Å²	158.8	67%	0.67	81%	0.813	S	S	*	*			cis	163.2	-178.1	-8.2	0	0	0	0	0	114.1
324	E	27	Very low	25.7	Very low	166 Å²	166	157.3 Å²	157.3	78%	0.776	81%	0.808	S	S	*	*			trans	67.2	145.5	164.9	-61	-143.4	124.9	0	0	117.2
325	K	25.2	Very low	25.6	Very low	155 Å²	155	155.2 Å²	155.2	67%	0.674	81%	0.806	S	S	*	*			cis	-170.7	158.4	-21.1	-131.1	174.5	-164.8	155.8	0	108.2
326	K	25.6	Very low	25.7	Very low	183 Å²	183	157.5 Å²	157.5	80%	0.796	81%	0.807	S	S	*	*			trans	72.8	147	163.6	-60.8	175.2	179.9	-178.7	0	116.5
327	T	24.2	Very low	25.8	Very low	130 Å²	130	155.9 Å²	155.9	80%	0.798	80%	0.8	S	S	*	*			cis	-147.4	156.5	-5	-2.9	0	0	0	0	111.9
328	S	24.8	Very low	26	Very low	115 Å²	115	155.9 Å²	155.9	80%	0.804	80%	0.803	S	S	*	*			trans	-76.3	145.9	170.8	51.1	0	0	0	0	113.6
329	A	25.5	Very low	25.9	Very low	101 Å²	101	159.4 Å²	159.4	84%	0.835	80%	0.801	S	S	*	*			trans	-158.4	119.4	144.6	0	0	0	0	0	110.4
330	E	27.5	Very low	26.2	Very low	175 Å²	175	158.4 Å²	158.4	82%	0.818	80%	0.801	S	S	*	*			trans	-83	160.5	164.8	-62.6	172.9	95.1	0	0	110.6
331	R	23.9	Very low	26.3	Very low	253 Å²	253	153.1 Å²	153.1	96%	0.955	80%	0.796	S	S	*	*			trans	-155.6	140.4	144.4	-112.1	166.1	-166.7	-168.5	1.8	111.2
332	K	27.4	Very low	26.9	Very low	192 Å²	192	156.9 Å²	156.9	84%	0.835	81%	0.805	S	S	*	*			trans	-107.4	144.9	177	-65.9	179.1	178.9	177.9	0	110.7
333	S	22.8	Very low	27	Very low	110 Å²	110	150.7 Å²	150.7	77%	0.769	80%	0.797	S	S	*	*			trans	-169.9	105.4	151.8	49.6	0	0	0	0	106.8
334	S	27.1	Very low	27.4	Very low	101 Å²	101	151.2 Å²	151.2	71%	0.706	80%	0.803	S	S	*	*				82.9	87.4	63.1	72.3	0	0	0	0	113.4
335	D	27.8	Very low	27.8	Very low	157 Å²	157	148.4 Å²	148.4	84%	0.84	80%	0.801	S	S	*	*			trans	64	160.5	141.6	-57.9	-59.7	0	0	0	123.1
336	E	26.8	Very low	28.5	Very low	187 Å²	187	144.4 Å²	144.4	87%	0.874	80%	0.797	S	S	*	*			trans	62	102.4	171.1	-55.1	-156.1	153.1	0	0	120.1
337	E	26	Very low	29.4	Very low	145 Å²	145	140.4 Å²	140.4	68%	0.678	79%	0.792	S	S	*	*				-152	120.8	106.1	-124	-164.3	-155.6	0	0	110.9	R339	E337-R339 IonicContact OE1-CZ 3.46Å; E337-R339 IonicContact OE1-NE 2.72Å; E337-R339 IonicContact OE1-NH2 2.74Å; E337-R339 PolarHBondContact OE1-NH2 2.6Å; E337-R339 IonicContact OE2-CZ 2.72Å; E337-R339 IonicContact OE2-NE 3.16Å; E337-R339 PolarHBondContact OE2-NE 2.75Å; E337-R339 IonicContact OE2-NH2 3.5Å; E337-R339 PolarHBondContact OE2-NH2 2.86Å
338	Q	30	Very low	30.8	Very low	194 Å²	194	136 Å²	136	91%	0.907	77%	0.773	S	S	*	*			trans	-84	130	165.7	-81.3	-173.8	-37.1	0	0	109.7
339	R	27	Very low	32.4	Very low	193 Å²	193	132.7 Å²	132.7	73%	0.728	74%	0.744	S	S	*	*			trans	-136.8	124	159.7	-62.8	-168.6	-167.1	-142.3	-2.4	110.4	E337 A341	E337-R339 IonicContact OE1-CZ 3.46Å; E337-R339 IonicContact OE1-NE 2.72Å; E337-R339 IonicContact OE1-NH2 2.74Å; E337-R339 PolarHBondContact OE1-NH2 2.6Å; E337-R339 IonicContact OE2-CZ 2.72Å; E337-R339 IonicContact OE2-NE 3.16Å; E337-R339 PolarHBondContact OE2-NE 2.75Å; E337-R339 IonicContact OE2-NH2 3.5Å; E337-R339 PolarHBondContact OE2-NH2 2.86Å; R339-A341 PolarHBondContact O-N 2.73Å
340	D	32.8	Very low	34.5	Very low	163 Å²	163	129.7 Å²	129.7	87%	0.872	72%	0.716	S	S	*	*			trans	-63.4	126.7	178.2	-87.8	-74.3	0	0	0	112.5
341	A	27.2	Very low	37.2	Very low	93 Å²	93	126.5 Å²	126.5	77%	0.769	71%	0.705	S	S	*	*			trans	-136.3	96.7	166.9	0	0	0	0	0	109.6	R339 G343	R339-A341 PolarHBondContact O-N 2.73Å; A341-G343 VanDerWaalsContact C-N 3.29Å; A341-G343 PolarHBondContact O-N 2.66Å
342	K	36	Very low	40.5	Very low	221 Å²	221	114.9 Å²	114.9	96%	0.961	66%	0.661	S	S	*	*			trans	-68.8	82.3	174.8	-75.8	180	177	172.4	0	111
343	G	28.6	Very low	43.8	Very low	66 Å²	66	107.8 Å²	107.8	68%	0.68	63%	0.632	S	S	*	*			trans	-115.9	127.5	171.1	0	0	0	0	0	111.3	A341 S345	A341-G343 VanDerWaalsContact C-N 3.29Å; A341-G343 PolarHBondContact O-N 2.66Å; G343-S345 PolarHBondContact O-N 3.22Å
344	G	31.7	Very low	47.3	Very low	76 Å²	76	102.5 Å²	102.5	78%	0.784	60%	0.595	S	S	*	*			trans	-74.2	114.1	-171.9	0	0	0	0	0	114.5	A346	G344-A346 PolarHBondContact O-N 2.83Å; G344-A346 VanDerWaalsContact O-N 3.11Å
345	S	36	Very low	50.5	Low	106 Å²	106	99 Å²	99	74%	0.741	57%	0.571	S	S	*	*			trans	6.4	86.3	153.9	-167.1	0	0	0	0	117	G343	G343-S345 PolarHBondContact O-N 3.22Å
346	A	40.3	Very low	53.8	Low	71 Å²	71	96.6 Å²	96.6	59%	0.587	55%	0.55	S	S	*	.			trans	-110.1	-11.6	173	0	0	0	0	0	113.7	G344	G344-A346 PolarHBondContact O-N 2.83Å; G344-A346 VanDerWaalsContact O-N 3.11Å
347	S	44.7	Very low	56.9	Low	100 Å²	100	92.1 Å²	92.1	70%	0.699	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.3	-172.5	47.9	0	0	0	0	115.4	T350	S347-T350 PolarHBondContact O-OG1 3.49Å
348	G	52.9	Low	60	Low	38 Å²	38	92.5 Å²	92.5	39%	0.392	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-30	179.4	0	0	0	0	0	114.2	C366	G348-C366 VanDerWaalsContact O-CB 3.24Å; G348-C366 WeakPolarHBondContact O-CB 3.4Å
349	E	59.3	Low	63.1	Low	44 Å²	44	83.9 Å²	83.9	21%	0.206	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-29.1	-175.5	-66	-169.6	151.9	0	0	113	L376 S484 R521	E349-L376 HydrophobicContact CB-CD2 4.23Å; E349-S484 PolarHBondContact OE2-OG 2.78Å; E349-R521 IonicContact OE2-NH1 2.73Å
350	T	68.8	Low	66.4	Low	39 Å²	39	77.6 Å²	77.6	24%	0.239	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-33.7	-171.5	52.9	0	0	0	0	114.1	S347 R380 F522	S347-T350 PolarHBondContact O-OG1 3.49Å; T350-R380 PolarHBondContact O-NE 2.79Å; T350-R380 VanDerWaalsContact O-NE 3.11Å; T350-R380 PolarHBondContact O-NH2 2.94Å; T350-F522 HydrophobicContact CG2-CE2 3.93Å; T350-F522 HydrophobicContact CG2-CZ 3.64Å
351	D	83.4	Confident	69.4	Low	108 Å²	108	69.8 Å²	69.8	58%	0.578	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	8.6	-164.5	-73	35	0	0	0	112.9	N353 R356	D351-N353 PolarHBondContact O-N 2.81Å; D351-R356 PolarHBondContact O-NH2 3.42Å
352	Y	94.7	Very high	72.6	Confident	9 Å²	9	67.2 Å²	67.2	4%	0.035	42%	0.415	C	S	.	.			trans	-57.1	125.1	174.5	-177.7	-107.9	0	0	0	110.7	P354 Y359 H364 C366 W367 A377 R380 L401	Y352-P354 HydrophobicContact CE1-CB 4.16Å; Y352-P354 HydrophobicContact CE1-CG 3.84Å; Y352-Y359 WeakPolarHBondContact CE2-OH 3.43Å; Y352-H364 WeakPolarHBondContact CD2-O 3.17Å; Y352-H364 WeakPolarHBondContact CE2-O 3.29Å; Y352-C366 HydrophobicContact CD2-CB 3.89Å; Y352-C366 HydrophobicContact CG-CB 4.15Å; Y352-W367 HydrophobicContact CE2-CZ3 4.06Å; Y352-A377 HydrophobicContact CD1-CB 4.09Å; Y352-A377 HydrophobicContact CE1-CB 4.01Å; Y352-A377 WeakPolarHBondContact CE1-O 3.5Å; Y352-R380 HydrophobicContact CD1-CB 3.79Å; Y352-L401 HydrophobicContact CE1-CD1 4.4Å; Y352-L401 WeakPolarHBondContact OH-CD1 3.43Å
353	N	96.1	Very high	75.4	Confident	42 Å²	42	62.3 Å²	62.3	23%	0.225	40%	0.399	C	S	.	.			trans	-144	102.8	179.3	177.7	5.2	0	0	0	109.8	D351 S355 R356	D351-N353 PolarHBondContact O-N 2.81Å; N353-S355 VanDerWaalsContact C-N 3.28Å; N353-S355 PolarHBondContact O-N 3.42Å; N353-S355 PolarHBondContact OD1-N 3.19Å; N353-S355 PolarHBondContact OD1-OG 3.48Å; N353-R356 HydrophobicContact CB-CG 3.92Å; N353-R356 VanDerWaalsContact O-CG 3.29Å; N353-R356 WeakPolarHBondContact O-CG 3.08Å; N353-R356 PolarHBondContact O-N 3.26Å
354	P	96.1	Very high	78.6	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-8.8	179.4	29.9	-31.1	0	0	0	113.7	Y352 T381 T397 N400	Y352-P354 HydrophobicContact CE1-CB 4.16Å; Y352-P354 HydrophobicContact CE1-CG 3.84Å; P354-T381 HydrophobicContact CG-CG2 3.98Å; P354-T397 HydrophobicContact CB-CG2 4.15Å; P354-T397 HydrophobicContact CG-CG2 3.82Å; P354-N400 HydrophobicContact CB-CB 4.23Å; P354-N400 WeakPolarHBondContact O-CB 3.33Å; P354-N400 PolarHBondContact O-ND2 3.3Å
355	S	95.7	Very high	81.7	Confident	28 Å²	28	59.6 Å²	59.6	20%	0.196	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	17	172.3	72.6	0	0	0	0	113	N353 R393 T397	N353-S355 VanDerWaalsContact C-N 3.28Å; N353-S355 PolarHBondContact O-N 3.42Å; N353-S355 PolarHBondContact OD1-N 3.19Å; N353-S355 PolarHBondContact OD1-OG 3.48Å; S355-R393 PolarHBondContact O-NH2 2.81Å; S355-T397 WeakPolarHBondContact CB-OG1 3.34Å
356	R	95	Very high	84.5	Confident	105 Å²	105	55.6 Å²	55.6	40%	0.396	32%	0.323	S	S	.	.	S	Bend	trans	-60.2	141.1	164.9	-73.1	174.4	-167.7	-112.3	0.4	110.1	D351 N353	D351-R356 PolarHBondContact O-NH2 3.42Å; N353-R356 HydrophobicContact CB-CG 3.92Å; N353-R356 VanDerWaalsContact O-CG 3.29Å; N353-R356 WeakPolarHBondContact O-CG 3.08Å; N353-R356 PolarHBondContact O-N 3.26Å
357	P	92.3	Very high	87.2	Confident	94 Å²	94	52.7 Å²	52.7	61%	0.61	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	154.1	165.9	30.1	-35.1	0	0	0	110.1	Y359	P357-Y359 VanDerWaalsContact C-N 3.29Å; P357-Y359 PolarHBondContact O-N 3.44Å
358	N	91.6	Very high	89.6	Confident	153 Å²	153	55 Å²	55	82%	0.818	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	42.6	177.4	-58.1	81.6	0	0	0	113.4	H360	N358-H360 PolarHBondContact O-N 3.36Å
359	Y	96.3	Very high	91.5	Very high	13 Å²	13	58 Å²	58	5%	0.051	30%	0.298	C	S	.	.			trans	-61.5	119.4	-175	-174.1	-92.1	0	0	0	113.2	Y352 P357 P361 H364 N400 R403 S404	Y352-Y359 WeakPolarHBondContact CE2-OH 3.43Å; P357-Y359 VanDerWaalsContact C-N 3.29Å; P357-Y359 PolarHBondContact O-N 3.44Å; Y359-P361 WeakPolarHBondContact O-CD 3.43Å; Y359-H364 HydrophobicContact CD2-CB 3.74Å; Y359-H364 AromaticContact CD2-ND1 3.96Å; Y359-H364 HydrophobicContact CE2-CB 3.37Å; Y359-H364 HydrophobicContact CG-CB 4.48Å; Y359-H364 PolarHBondContact OH-O 2.84Å; Y359-H364 VanDerWaalsContact OH-O 3.08Å; Y359-N400 WeakPolarHBondContact CB-ND2 3.43Å; Y359-N400 HydrophobicContact CD1-CB 3.44Å; Y359-N400 VanDerWaalsContact CD1-CB 3.44Å; Y359-N400 VanDerWaalsContact CD1-CG 3.47Å; Y359-N400 HydrophobicContact CD2-CB 4.35Å; Y359-N400 HydrophobicContact CE1-CB 3.77Å; Y359-N400 WeakPolarHBondContact CE1-O 3.22Å; Y359-N400 HydrophobicContact CG-CB 3.77Å; Y359-R403 PolarHBondContact O-NH1 2.87Å; Y359-S404 PolarHBondContact OH-OG 3.46Å
360	H	96	Very high	93	Very high	60 Å²	60	59.3 Å²	59.3	28%	0.278	32%	0.323	S	S	.	.			trans	-96.7	114.2	176.1	-163.7	-112.9	0	0	0	110.9	N358 V362 D363 H364 I567	N358-H360 PolarHBondContact O-N 3.36Å; H360-V362 PolarHBondContact O-N 2.92Å; H360-D363 HydrophobicContact CB-CB 4.36Å; H360-D363 IonicContact CE1-OD1 3.48Å; H360-D363 PolarHBondContact CE1-OD1 2.96Å; H360-D363 IonicContact CE1-OD2 2.8Å; H360-D363 PolarHBondContact ND1-N 3.19Å; H360-D363 IonicContact ND1-OD1 2.68Å; H360-D363 PolarHBondContact ND1-OD1 3.12Å; H360-D363 IonicContact ND1-OD2 3.51Å; H360-D363 PolarHBondContact ND1-OD2 2.85Å; H360-H364 PolarHBondContact N-ND1 3.06Å; H360-H364 WeakPolarHBondContact O-CB 3.16Å; H360-H364 PolarHBondContact O-N 3.16Å; H360-I567 WeakPolarHBondContact NE2-CD1 3.5Å
361	P	95.3	Very high	94.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-19.6	-173.4	-33.2	39.2	0	0	0	118	Y359 R403 S404 L407 I567	Y359-P361 WeakPolarHBondContact O-CD 3.43Å; P361-R403 HydrophobicContact CB-CB 4.08Å; P361-R403 HydrophobicContact CG-CB 3.73Å; P361-R403 VanDerWaalsContact CG-NH2 3.35Å; P361-S404 WeakPolarHBondContact CA-OG 3.35Å; P361-S404 WeakPolarHBondContact O-CA 3.22Å; P361-S404 VanDerWaalsContact O-CB 3.32Å; P361-S404 WeakPolarHBondContact O-CB 3.46Å; P361-S404 PolarHBondContact O-OG 3.12Å; P361-L407 HydrophobicContact CB-CD1 3.76Å; P361-I567 HydrophobicContact CG-CG2 4.06Å
362	V	94.6	Very high	95	Very high	39 Å²	39	61.8 Å²	61.8	24%	0.236	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-66.9	175.8	-178.6	0	0	0	0	109.1	H360 H364 A365 L407 L408	H360-V362 PolarHBondContact O-N 2.92Å; V362-H364 VanDerWaalsContact C-N 3.25Å; V362-H364 PolarHBondContact O-N 3.08Å; V362-H364 VanDerWaalsContact O-N 3.16Å; V362-A365 WeakPolarHBondContact O-CB 3.17Å; V362-A365 PolarHBondContact O-N 2.91Å; V362-L407 HydrophobicContact CG2-CD1 4.23Å; V362-L408 HydrophobicContact CG1-CD2 4.4Å; V362-L408 HydrophobicContact CG2-CD2 4.38Å
363	D	94.1	Very high	95.2	Very high	118 Å²	118	61.4 Å²	61.4	63%	0.631	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.7	-171.6	-48	15.6	0	0	0	114.3	H360	H360-D363 HydrophobicContact CB-CB 4.36Å; H360-D363 IonicContact CE1-OD1 3.48Å; H360-D363 PolarHBondContact CE1-OD1 2.96Å; H360-D363 IonicContact CE1-OD2 2.8Å; H360-D363 PolarHBondContact ND1-N 3.19Å; H360-D363 IonicContact ND1-OD1 2.68Å; H360-D363 PolarHBondContact ND1-OD1 3.12Å; H360-D363 IonicContact ND1-OD2 3.51Å; H360-D363 PolarHBondContact ND1-OD2 2.85Å
364	H	96.1	Very high	95.3	Very high	66 Å²	66	59.8 Å²	59.8	31%	0.306	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	6.3	177	-59	173.7	0	0	0	113.4	Y352 Y359 H360 V362	Y352-H364 WeakPolarHBondContact CD2-O 3.17Å; Y352-H364 WeakPolarHBondContact CE2-O 3.29Å; Y359-H364 HydrophobicContact CD2-CB 3.74Å; Y359-H364 AromaticContact CD2-ND1 3.96Å; Y359-H364 HydrophobicContact CE2-CB 3.37Å; Y359-H364 HydrophobicContact CG-CB 4.48Å; Y359-H364 PolarHBondContact OH-O 2.84Å; Y359-H364 VanDerWaalsContact OH-O 3.08Å; H360-H364 PolarHBondContact N-ND1 3.06Å; H360-H364 WeakPolarHBondContact O-CB 3.16Å; H360-H364 PolarHBondContact O-N 3.16Å; V362-H364 VanDerWaalsContact C-N 3.25Å; V362-H364 PolarHBondContact O-N 3.08Å; V362-H364 VanDerWaalsContact O-N 3.16Å
365	A	95.9	Very high	95.4	Very high	18 Å²	18	59.8 Å²	59.8	15%	0.149	32%	0.317	C	S	.	.			trans	-76.7	147.5	165.4	0	0	0	0	0	110.3	V362 W367 L408	V362-A365 WeakPolarHBondContact O-CB 3.17Å; V362-A365 PolarHBondContact O-N 2.91Å; A365-W367 VanDerWaalsContact C-N 3.34Å; A365-W367 HydrophobicContact CB-CD2 4.33Å; A365-W367 HydrophobicContact CB-CE3 4.1Å; A365-W367 HydrophobicContact CB-CH2 4.36Å; A365-W367 HydrophobicContact CB-CZ3 4.11Å; A365-L408 HydrophobicContact CB-CD1 3.39Å
366	C	95.8	Very high	95.5	Very high	22 Å²	22	58.7 Å²	58.7	15%	0.149	31%	0.309	C	S	.	.	S	Bend	trans	-93.3	10.3	175.9	60.1	0	0	0	0	114.2	G348 Y352	G348-C366 VanDerWaalsContact O-CB 3.24Å; G348-C366 WeakPolarHBondContact O-CB 3.4Å; Y352-C366 HydrophobicContact CD2-CB 3.89Å; Y352-C366 HydrophobicContact CG-CB 4.15Å
367	W	96.5	Very high	95.6	Very high	11 Å²	11	53.7 Å²	53.7	4%	0.042	29%	0.291	C	S	.	.	S	Bend	trans	-137	162.4	175.7	70.5	100.7	0	0	0	110.2	Y352 A365 Q371 V373 P374 A377 L401 V405 L408 S409	Y352-W367 HydrophobicContact CE2-CZ3 4.06Å; A365-W367 VanDerWaalsContact C-N 3.34Å; A365-W367 HydrophobicContact CB-CD2 4.33Å; A365-W367 HydrophobicContact CB-CE3 4.1Å; A365-W367 HydrophobicContact CB-CH2 4.36Å; A365-W367 HydrophobicContact CB-CZ3 4.11Å; W367-Q371 HydrophobicContact CB-CB 4.47Å; W367-V373 HydrophobicContact CH2-CG1 4.32Å; W367-V373 HydrophobicContact CZ2-CG1 4.25Å; W367-V373 HydrophobicContact CZ2-CG2 4.1Å; W367-P374 HydrophobicContact CB-CG 4.02Å; W367-A377 HydrophobicContact CE3-CB 4.2Å; W367-A377 HydrophobicContact CZ3-CB 3.83Å; W367-L401 HydrophobicContact CH2-CD1 4.05Å; W367-L401 HydrophobicContact CZ3-CD1 4.47Å; W367-V405 HydrophobicContact CH2-CG2 4.2Å; W367-V405 HydrophobicContact CZ2-CG2 3.9Å; W367-L408 HydrophobicContact CZ2-CD1 4.38Å; W367-S409 PolarHBondContact NE1-OG 3.18Å
368	K	94.8	Very high	95.9	Very high	148 Å²	148	49.2 Å²	49.2	64%	0.643	26%	0.261	S	S	*	.			trans	-97.9	161.9	-178.5	-57.4	-174.6	179.3	-174.2	0	111.5	G370 Q371	K368-G370 PolarHBondContact O-N 3.4Å; K368-Q371 HydrophobicContact CB-CG 4.16Å; K368-Q371 VanDerWaalsContact O-CB 3.29Å; K368-Q371 WeakPolarHBondContact O-CB 3.47Å; K368-Q371 PolarHBondContact O-N 2.82Å; K368-Q371 VanDerWaalsContact O-N 3.07Å
369	Q	94.3	Very high	96.1	Very high	102 Å²	102	42 Å²	42	48%	0.477	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	137.2	173	-165.5	-146.2	-1.5	0	0	111.1	Q371 L408 F562	Q369-Q371 PolarHBondContact O-N 2.7Å; Q369-L408 HydrophobicContact CB-CD2 4.04Å; Q369-F562 HydrophobicContact CB-CD2 4.41Å; Q369-F562 HydrophobicContact CB-CE1 4.48Å; Q369-F562 HydrophobicContact CB-CE2 4.07Å; Q369-F562 HydrophobicContact CB-CZ 4.11Å; Q369-F562 HydrophobicContact CG-CD1 4.43Å; Q369-F562 HydrophobicContact CG-CD2 3.76Å; Q369-F562 HydrophobicContact CG-CE2 3.92Å; Q369-F562 HydrophobicContact CG-CG 4.05Å; Q369-F562 HydrophobicContact CG-CZ 4.33Å
370	G	90.9	Very high	96.1	Very high	71 Å²	71	43.6 Å²	43.6	73%	0.732	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.4	-10.8	-179.2	0	0	0	0	0	114.9	K368 L408	K368-G370 PolarHBondContact O-N 3.4Å; G370-L408 PolarHBondContact N-O 2.65Å
371	Q	96.3	Very high	96.2	Very high	99 Å²	99	40.7 Å²	40.7	46%	0.463	22%	0.215	S	C	.	.	S	Bend	trans	-75.7	151.2	169.8	-59.5	-172.7	-44	0	0	110.3	W367 K368 Q369 S409	W367-Q371 HydrophobicContact CB-CB 4.47Å; K368-Q371 HydrophobicContact CB-CG 4.16Å; K368-Q371 VanDerWaalsContact O-CB 3.29Å; K368-Q371 WeakPolarHBondContact O-CB 3.47Å; K368-Q371 PolarHBondContact O-N 2.82Å; K368-Q371 VanDerWaalsContact O-N 3.07Å; Q369-Q371 PolarHBondContact O-N 2.7Å; Q371-S409 PolarHBondContact O-OG 2.78Å
372	K	97.9	Very high	96.3	Very high	100 Å²	100	40.8 Å²	40.8	44%	0.435	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-76	140	172.3	-69.1	-64.7	-179.7	-168.1	0	110.4	P374 D411 D412 T486	K372-P374 WeakPolarHBondContact O-CD 3.41Å; K372-D411 IonicContact NZ-OD2 3.35Å; K372-D411 PolarHBondContact NZ-OD2 3.27Å; K372-D412 WeakPolarHBondContact CA-OD2 3.27Å; K372-D412 WeakPolarHBondContact CD-OD1 3.5Å; K372-D412 WeakPolarHBondContact CD-OD2 3.4Å; K372-D412 WeakPolarHBondContact CE-OD1 3.33Å; K372-D412 IonicContact NZ-OD1 3.54Å; K372-D412 PolarHBondContact NZ-OD1 2.95Å; K372-T486 HydrophobicContact CB-CG2 4.01Å
373	V	98.3	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-62.2	121.4	-173.5	-178.7	0	0	0	0	109.4	W367 Y375 A377 V378 V405 D412 T486 A487	W367-V373 HydrophobicContact CH2-CG1 4.32Å; W367-V373 HydrophobicContact CZ2-CG1 4.25Å; W367-V373 HydrophobicContact CZ2-CG2 4.1Å; V373-Y375 PolarHBondContact O-N 3.23Å; V373-A377 HydrophobicContact CG1-CB 4.49Å; V373-V378 HydrophobicContact CG1-CG2 4.38Å; V373-V405 HydrophobicContact CG1-CG2 4.29Å; V373-V405 HydrophobicContact CG2-CG1 4.13Å; V373-V405 HydrophobicContact CG2-CG2 3.85Å; V373-D412 HydrophobicContact CB-CB 4.37Å; V373-D412 HydrophobicContact CG2-CB 3.69Å; V373-D412 PolarHBondContact N-OD2 3.15Å; V373-T486 CarbonylContact O-C 3.39Å; V373-T486 VanDerWaalsContact O-CA 3.27Å; V373-T486 WeakPolarHBondContact O-CA 3.5Å; V373-A487 HydrophobicContact CB-CB 4.16Å; V373-A487 HydrophobicContact CG1-CB 4.35Å; V373-A487 PolarHBondContact O-N 3.17Å
374	P	98.1	Very high	96.5	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.052	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-61.5	135.4	175.5	-22.7	33.8	0	0	0	110.6	W367 K372 L376 A377	W367-P374 HydrophobicContact CB-CG 4.02Å; K372-P374 WeakPolarHBondContact O-CD 3.41Å; P374-L376 PolarHBondContact O-N 2.81Å; P374-A377 VanDerWaalsContact O-CB 3.28Å; P374-A377 WeakPolarHBondContact O-CB 3.17Å; P374-A377 PolarHBondContact O-N 2.9Å
375	Y	98.1	Very high	96.5	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-65.4	-30.6	177.8	-178.4	-106.5	0	0	0	111.3	V373 A377 V378 A379 L419 L485 V490 E524 I528	V373-Y375 PolarHBondContact O-N 3.23Å; Y375-A377 PolarHBondContact O-N 2.96Å; Y375-V378 HydrophobicContact CD2-CB 4.28Å; Y375-V378 HydrophobicContact CE2-CB 4.45Å; Y375-V378 CarbonylContact O-C 3.52Å; Y375-V378 WeakPolarHBondContact O-CA 3.17Å; Y375-V378 WeakPolarHBondContact O-CB 3.23Å; Y375-V378 PolarHBondContact O-N 3.39Å; Y375-A379 PolarHBondContact O-N 3.16Å; Y375-L419 HydrophobicContact CD2-CD1 4.21Å; Y375-L419 HydrophobicContact CE2-CD1 4.18Å; Y375-L419 HydrophobicContact CE2-CD2 4.36Å; Y375-L485 HydrophobicContact CD1-CD1 4.49Å; Y375-L485 PolarHBondContact N-O 3.21Å; Y375-V490 HydrophobicContact CD1-CG2 4.09Å; Y375-V490 HydrophobicContact CD2-CB 4.05Å; Y375-V490 HydrophobicContact CD2-CG1 4.18Å; Y375-V490 HydrophobicContact CD2-CG2 3.96Å; Y375-V490 HydrophobicContact CE2-CB 4.39Å; Y375-V490 HydrophobicContact CE2-CG1 4.01Å; Y375-V490 HydrophobicContact CG-CB 4.34Å; Y375-V490 HydrophobicContact CG-CG2 3.72Å; Y375-E524 HydrophobicContact CD1-CB 3.87Å; Y375-E524 HydrophobicContact CD1-CG 3.67Å; Y375-E524 HydrophobicContact CE1-CB 3.94Å; Y375-E524 HydrophobicContact CE1-CG 4.15Å; Y375-I528 HydrophobicContact CD1-CD1 3.99Å; Y375-I528 HydrophobicContact CD1-CG1 4.44Å; Y375-I528 HydrophobicContact CE1-CD1 3.57Å; Y375-I528 HydrophobicContact CE1-CG1 3.58Å
376	L	96.7	Very high	96.4	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-54.8	-32.3	169	-176	59.6	0	0	0	113.2	E349 P374 A379 R380 F522 E524	E349-L376 HydrophobicContact CB-CD2 4.23Å; P374-L376 PolarHBondContact O-N 2.81Å; L376-A379 PolarHBondContact O-N 2.95Å; L376-R380 HydrophobicContact CD1-CG 4.15Å; L376-R380 HydrophobicContact CG-CG 4.34Å; L376-R380 VanDerWaalsContact O-CB 3.22Å; L376-R380 WeakPolarHBondContact O-CB 3.41Å; L376-R380 VanDerWaalsContact O-CG 3.25Å; L376-R380 WeakPolarHBondContact O-CG 3.19Å; L376-R380 PolarHBondContact O-N 2.96Å; L376-F522 HydrophobicContact CD1-CB 4.04Å; L376-F522 HydrophobicContact CD1-CD2 3.89Å; L376-F522 HydrophobicContact CD1-CG 4.39Å; L376-F522 HydrophobicContact CD2-CD2 3.69Å; L376-F522 HydrophobicContact CD2-CE2 3.99Å; L376-F522 HydrophobicContact CG-CD2 4.48Å; L376-E524 WeakPolarHBondContact CA-OE1 3.32Å; L376-E524 HydrophobicContact CB-CG 4.14Å; L376-E524 HydrophobicContact CD1-CG 4.11Å; L376-E524 PolarHBondContact N-OE1 3.46Å
377	A	98	Very high	96.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.4	-40.5	174.4	0	0	0	0	0	111.3	Y352 W367 V373 P374 Y375 T381 L401	Y352-A377 HydrophobicContact CD1-CB 4.09Å; Y352-A377 HydrophobicContact CE1-CB 4.01Å; Y352-A377 WeakPolarHBondContact CE1-O 3.5Å; W367-A377 HydrophobicContact CE3-CB 4.2Å; W367-A377 HydrophobicContact CZ3-CB 3.83Å; V373-A377 HydrophobicContact CG1-CB 4.49Å; P374-A377 VanDerWaalsContact O-CB 3.28Å; P374-A377 WeakPolarHBondContact O-CB 3.17Å; P374-A377 PolarHBondContact O-N 2.9Å; Y375-A377 PolarHBondContact O-N 2.96Å; A377-T381 WeakPolarHBondContact O-CB 3.34Å; A377-T381 PolarHBondContact O-N 3.28Å; A377-T381 PolarHBondContact O-OG1 3.37Å; A377-L401 HydrophobicContact CB-CD1 4.43Å
378	V	97.8	Very high	96	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-45.9	174.8	-171.2	0	0	0	0	110.4	V373 Y375 R380 T381 F382 A487	V373-V378 HydrophobicContact CG1-CG2 4.38Å; Y375-V378 HydrophobicContact CD2-CB 4.28Å; Y375-V378 HydrophobicContact CE2-CB 4.45Å; Y375-V378 CarbonylContact O-C 3.52Å; Y375-V378 WeakPolarHBondContact O-CA 3.17Å; Y375-V378 WeakPolarHBondContact O-CB 3.23Å; Y375-V378 PolarHBondContact O-N 3.39Å; V378-R380 PolarHBondContact O-N 3.17Å; V378-T381 WeakPolarHBondContact O-CB 3.38Å; V378-T381 PolarHBondContact O-N 3.44Å; V378-T381 VanDerWaalsContact O-N 3.13Å; V378-F382 HydrophobicContact CG1-CD2 4.29Å; V378-F382 HydrophobicContact CG1-CE1 3.99Å; V378-F382 HydrophobicContact CG1-CE2 3.66Å; V378-F382 HydrophobicContact CG1-CZ 3.48Å; V378-F382 VanDerWaalsContact CG1-CZ 3.48Å; V378-F382 VanDerWaalsContact O-CG 3.32Å; V378-F382 WeakPolarHBondContact O-CG 3.38Å; V378-F382 PolarHBondContact O-N 3.46Å; V378-A487 HydrophobicContact CG2-CB 4.07Å
379	A	97.3	Very high	95.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-42.8	177	0	0	0	0	0	112.8	Y375 L376 T381 F382 E383 E524 Y527	Y375-A379 PolarHBondContact O-N 3.16Å; L376-A379 PolarHBondContact O-N 2.95Å; A379-T381 VanDerWaalsContact C-N 3.31Å; A379-T381 PolarHBondContact O-N 3Å; A379-F382 CarbonylContact O-C 3.45Å; A379-F382 WeakPolarHBondContact O-CB 3.5Å; A379-F382 PolarHBondContact O-N 2.84Å; A379-F382 VanDerWaalsContact O-N 3.17Å; A379-E383 PolarHBondContact O-N 2.96Å; A379-E524 HydrophobicContact CB-CG 4.11Å; A379-Y527 HydrophobicContact CB-CD2 3.9Å; A379-Y527 HydrophobicContact CB-CE2 4.5Å; A379-Y527 WeakPolarHBondContact O-CE2 3.12Å
380	R	96.6	Very high	95.6	Very high	47 Å²	47	38.7 Å²	38.7	18%	0.177	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-35.3	172.3	-80.2	-79.2	-170.7	-118.9	10.8	112.8	T350 Y352 L376 V378 E383 K384	T350-R380 PolarHBondContact O-NE 2.79Å; T350-R380 VanDerWaalsContact O-NE 3.11Å; T350-R380 PolarHBondContact O-NH2 2.94Å; Y352-R380 HydrophobicContact CD1-CB 3.79Å; L376-R380 HydrophobicContact CD1-CG 4.15Å; L376-R380 HydrophobicContact CG-CG 4.34Å; L376-R380 VanDerWaalsContact O-CB 3.22Å; L376-R380 WeakPolarHBondContact O-CB 3.41Å; L376-R380 VanDerWaalsContact O-CG 3.25Å; L376-R380 WeakPolarHBondContact O-CG 3.19Å; L376-R380 PolarHBondContact O-N 2.96Å; V378-R380 PolarHBondContact O-N 3.17Å; R380-E383 WeakPolarHBondContact CD-OE1 3.43Å; R380-E383 IonicContact CZ-OE1 3.17Å; R380-E383 IonicContact NE-OE1 3.74Å; R380-E383 VanDerWaalsContact NH1-CD 3.3Å; R380-E383 IonicContact NH1-OE1 2.83Å; R380-E383 PolarHBondContact NH1-OE1 3.01Å; R380-E383 IonicContact NH1-OE2 3.46Å; R380-E383 PolarHBondContact NH1-OE2 3.22Å; R380-E383 PolarHBondContact O-N 2.92Å; R380-K384 PolarHBondContact O-N 3.19Å; R380-K384 VanDerWaalsContact O-N 3.16Å
381	T	97.8	Very high	95.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.4	-42.2	172.7	-51.5	0	0	0	0	110.6	P354 A377 V378 A379 K384 I385 T397 L398 L401	P354-T381 HydrophobicContact CG-CG2 3.98Å; A377-T381 WeakPolarHBondContact O-CB 3.34Å; A377-T381 PolarHBondContact O-N 3.28Å; A377-T381 PolarHBondContact O-OG1 3.37Å; V378-T381 WeakPolarHBondContact O-CB 3.38Å; V378-T381 PolarHBondContact O-N 3.44Å; V378-T381 VanDerWaalsContact O-N 3.13Å; A379-T381 VanDerWaalsContact C-N 3.31Å; A379-T381 PolarHBondContact O-N 3Å; T381-K384 PolarHBondContact O-N 2.84Å; T381-I385 HydrophobicContact CG2-CD1 3.75Å; T381-I385 WeakPolarHBondContact O-CB 3.35Å; T381-I385 WeakPolarHBondContact O-CD1 3.23Å; T381-I385 VanDerWaalsContact O-CG1 3.25Å; T381-I385 WeakPolarHBondContact O-CG1 3.14Å; T381-I385 PolarHBondContact O-N 3.16Å; T381-I385 VanDerWaalsContact O-N 3.09Å; T381-T397 HydrophobicContact CG2-CG2 4.45Å; T381-L398 HydrophobicContact CG2-CD1 4.45Å; T381-L401 HydrophobicContact CG2-CB 3.97Å; T381-L401 HydrophobicContact CG2-CD2 3.95Å
382	F	97.4	Very high	95.5	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-38.4	174.2	-65.7	-18.6	0	0	0	113.3	V378 A379 I385 E386 C420 Y527 L536 I538	V378-F382 HydrophobicContact CG1-CD2 4.29Å; V378-F382 HydrophobicContact CG1-CE1 3.99Å; V378-F382 HydrophobicContact CG1-CE2 3.66Å; V378-F382 HydrophobicContact CG1-CZ 3.48Å; V378-F382 VanDerWaalsContact CG1-CZ 3.48Å; V378-F382 VanDerWaalsContact O-CG 3.32Å; V378-F382 WeakPolarHBondContact O-CG 3.38Å; V378-F382 PolarHBondContact O-N 3.46Å; A379-F382 CarbonylContact O-C 3.45Å; A379-F382 WeakPolarHBondContact O-CB 3.5Å; A379-F382 PolarHBondContact O-N 2.84Å; A379-F382 VanDerWaalsContact O-N 3.17Å; F382-I385 PolarHBondContact O-N 3.28Å; F382-E386 WeakPolarHBondContact O-CB 3.31Å; F382-E386 PolarHBondContact O-N 3.15Å; F382-C420 HydrophobicContact CE1-CB 4.2Å; F382-Y527 HydrophobicContact CB-CD1 3.76Å; F382-Y527 HydrophobicContact CB-CD2 4.09Å; F382-Y527 HydrophobicContact CB-CE1 3.58Å; F382-Y527 HydrophobicContact CB-CE2 3.91Å; F382-Y527 HydrophobicContact CB-CG 4.03Å; F382-Y527 AromaticContact CD2-CD1 3.8Å; F382-Y527 HydrophobicContact CD2-CD1 3.8Å; F382-Y527 HydrophobicContact CD2-CD2 4.26Å; F382-Y527 HydrophobicContact CD2-CE1 4.5Å; F382-Y527 AromaticContact CD2-CG 3.68Å; F382-Y527 HydrophobicContact CD2-CG 3.68Å; F382-Y527 HydrophobicContact CG-CD1 4.19Å; F382-Y527 HydrophobicContact CG-CE1 4.46Å; F382-Y527 HydrophobicContact CG-CG 4.36Å; F382-L536 HydrophobicContact CD2-CD1 4.16Å; F382-L536 HydrophobicContact CE1-CD2 4.13Å; F382-L536 HydrophobicContact CE2-CD1 3.96Å; F382-L536 HydrophobicContact CE2-CD2 4.01Å; F382-L536 HydrophobicContact CZ-CD2 3.78Å; F382-I538 HydrophobicContact CB-CG2 3.78Å; F382-I538 HydrophobicContact CD1-CD1 3.59Å; F382-I538 HydrophobicContact CD1-CG2 4.45Å; F382-I538 HydrophobicContact CE1-CD1 3.82Å; F382-I538 HydrophobicContact CG-CD1 4.31Å; F382-I538 HydrophobicContact CG-CG2 4.16Å
383	E	95.5	Very high	95.3	Very high	21 Å²	21	42.9 Å²	42.9	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-49.8	171.6	-72.2	173.5	-93.4	0	0	111.2	A379 R380 I385 E386 E387 S523 Y527	A379-E383 PolarHBondContact O-N 2.96Å; R380-E383 WeakPolarHBondContact CD-OE1 3.43Å; R380-E383 IonicContact CZ-OE1 3.17Å; R380-E383 IonicContact NE-OE1 3.74Å; R380-E383 VanDerWaalsContact NH1-CD 3.3Å; R380-E383 IonicContact NH1-OE1 2.83Å; R380-E383 PolarHBondContact NH1-OE1 3.01Å; R380-E383 IonicContact NH1-OE2 3.46Å; R380-E383 PolarHBondContact NH1-OE2 3.22Å; R380-E383 PolarHBondContact O-N 2.92Å; E383-I385 PolarHBondContact O-N 3.02Å; E383-E386 PolarHBondContact O-N 2.86Å; E383-E386 VanDerWaalsContact O-N 3.13Å; E383-E387 WeakPolarHBondContact O-CB 3.39Å; E383-E387 WeakPolarHBondContact O-CG 3.21Å; E383-E387 PolarHBondContact O-N 2.9Å; E383-S523 VanDerWaalsContact CD-CB 3.43Å; E383-S523 VanDerWaalsContact CD-OG 3.26Å; E383-S523 VanDerWaalsContact OE1-CB 3.27Å; E383-S523 WeakPolarHBondContact OE1-CB 3.44Å; E383-S523 PolarHBondContact OE1-OG 3.34Å; E383-Y527 WeakPolarHBondContact CA-OH 3.41Å; E383-Y527 HydrophobicContact CG-CE2 3.88Å; E383-Y527 PolarHBondContact N-OH 3.22Å
384	K	96.1	Very high	95.2	Very high	49 Å²	49	43.5 Å²	43.5	21%	0.213	22%	0.219	C	C	.	.	H	α-helix	trans	-71.2	-18	-177.4	-62.7	-41.8	-175.5	-168	0	114.7	R380 T381 E387 T397	R380-K384 PolarHBondContact O-N 3.19Å; R380-K384 VanDerWaalsContact O-N 3.16Å; T381-K384 PolarHBondContact O-N 2.84Å; K384-E387 VanDerWaalsContact CD-OE2 3.24Å; K384-E387 WeakPolarHBondContact CD-OE2 3.19Å; K384-E387 IonicContact NZ-OE1 2.87Å; K384-E387 PolarHBondContact NZ-OE1 2.91Å; K384-E387 IonicContact NZ-OE2 3.62Å; K384-E387 PolarHBondContact NZ-OE2 3.09Å; K384-T397 HydrophobicContact CB-CG2 3.97Å
385	I	95.9	Very high	95.2	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-87.8	-27.4	172.8	-70.1	168.3	0	0	0	111.4	T381 F382 E383 N394 T397 L398 I538 L540	T381-I385 HydrophobicContact CG2-CD1 3.75Å; T381-I385 WeakPolarHBondContact O-CB 3.35Å; T381-I385 WeakPolarHBondContact O-CD1 3.23Å; T381-I385 VanDerWaalsContact O-CG1 3.25Å; T381-I385 WeakPolarHBondContact O-CG1 3.14Å; T381-I385 PolarHBondContact O-N 3.16Å; T381-I385 VanDerWaalsContact O-N 3.09Å; F382-I385 PolarHBondContact O-N 3.28Å; E383-I385 PolarHBondContact O-N 3.02Å; I385-N394 HydrophobicContact CG1-CB 4.33Å; I385-N394 HydrophobicContact CG2-CB 4.06Å; I385-N394 PolarHBondContact O-ND2 3.43Å; I385-N394 VanDerWaalsContact O-ND2 3.1Å; I385-T397 HydrophobicContact CD1-CG2 4.41Å; I385-T397 HydrophobicContact CG1-CG2 3.91Å; I385-L398 HydrophobicContact CD1-CB 3.91Å; I385-I538 HydrophobicContact CG2-CB 4.17Å; I385-I538 HydrophobicContact CG2-CD1 4.39Å; I385-I538 VanDerWaalsContact CG2-O 3.32Å; I385-I538 WeakPolarHBondContact CG2-O 3.42Å; I385-L540 HydrophobicContact CD1-CD1 3.83Å; I385-L540 HydrophobicContact CG2-CB 3.99Å; I385-L540 HydrophobicContact CG2-CD1 3.82Å
386	E	93.9	Very high	95.1	Very high	67 Å²	67	46.4 Å²	46.4	31%	0.313	23%	0.232	S	C	.	.	H	α-helix	trans	-79.9	-28	173	-177.5	172.5	-161.5	0	0	112.8	F382 E383 R526 Y527 R530	F382-E386 WeakPolarHBondContact O-CB 3.31Å; F382-E386 PolarHBondContact O-N 3.15Å; E383-E386 PolarHBondContact O-N 2.86Å; E383-E386 VanDerWaalsContact O-N 3.13Å; E386-R526 IonicContact OE2-NH1 2.78Å; E386-R526 PolarHBondContact OE2-NH1 3.21Å; E386-Y527 PolarHBondContact OE2-OH 3.25Å; E386-R530 IonicContact OE1-CZ 2.74Å; E386-R530 IonicContact OE1-NH1 2.7Å; E386-R530 PolarHBondContact OE1-NH1 2.95Å; E386-R530 IonicContact OE1-NH2 2.68Å; E386-R530 PolarHBondContact OE1-NH2 3.46Å; E386-R530 IonicContact OE2-CZ 3.1Å; E386-R530 IonicContact OE2-NH1 3.12Å; E386-R530 PolarHBondContact OE2-NH1 2.95Å; E386-R530 IonicContact OE2-NH2 3.49Å
387	E	93.2	Very high	95.1	Very high	126 Å²	126	46.1 Å²	46.1	59%	0.589	23%	0.231	S	C	*	.	S	Bend	trans	-72.5	-25	176	-78.2	172.4	-149.1	0	0	114.3	E383 K384	E383-E387 WeakPolarHBondContact O-CB 3.39Å; E383-E387 WeakPolarHBondContact O-CG 3.21Å; E383-E387 PolarHBondContact O-N 2.9Å; K384-E387 VanDerWaalsContact CD-OE2 3.24Å; K384-E387 WeakPolarHBondContact CD-OE2 3.19Å; K384-E387 IonicContact NZ-OE1 2.87Å; K384-E387 PolarHBondContact NZ-OE1 2.91Å; K384-E387 IonicContact NZ-OE2 3.62Å; K384-E387 PolarHBondContact NZ-OE2 3.09Å
388	D	91.9	Very high	95.2	Very high	62 Å²	62	46.2 Å²	46.2	33%	0.332	23%	0.231	S	C	.	.			trans	-116.1	135.3	-171.7	-164.1	-31.7	0	0	0	111.7	G390 R393 N394	D388-G390 PolarHBondContact OD1-N 3.26Å; D388-R393 WeakPolarHBondContact OD2-CG 3.34Å; D388-N394 PolarHBondContact O-ND2 2.86Å
389	S	88.1	Confident	95.2	Very high	126 Å²	126	46.2 Å²	46.2	88%	0.881	23%	0.231	S	C	*	.			trans	-89.5	-12.7	179.6	58.7	0	0	0	0	113.7	R391	S389-R391 PolarHBondContact O-N 2.95Å
390	G	91.9	Very high	95.2	Very high	28 Å²	28	46.4 Å²	46.4	29%	0.289	23%	0.232	S	C	.	.			trans	-76.9	103.5	-177.4	0	0	0	0	0	112.8	D388 L392 R393 N394	D388-G390 PolarHBondContact OD1-N 3.26Å; G390-L392 PolarHBondContact O-N 2.81Å; G390-L392 VanDerWaalsContact O-N 3.07Å; G390-R393 WeakPolarHBondContact O-CA 3.26Å; G390-R393 PolarHBondContact O-N 3.02Å; G390-N394 PolarHBondContact O-N 3.09Å
391	R	92.2	Very high	95.3	Very high	161 Å²	161	44.2 Å²	44.2	61%	0.608	22%	0.224	S	C	*	.	H	α-helix	trans	-46.3	-43.8	178.4	-175.9	174.4	71.3	87.5	-8.2	113.5	S389 N394 I395	S389-R391 PolarHBondContact O-N 2.95Å; R391-N394 PolarHBondContact O-N 3.37Å; R391-I395 HydrophobicContact CG-CD1 4.06Å; R391-I395 WeakPolarHBondContact O-CD1 3.27Å; R391-I395 VanDerWaalsContact O-CG1 3.29Å; R391-I395 WeakPolarHBondContact O-CG1 3.29Å; R391-I395 PolarHBondContact O-N 3.01Å
392	L	92.7	Very high	95.3	Very high	129 Å²	129	44.2 Å²	44.2	68%	0.675	22%	0.224	S	C	*	.	H	α-helix	trans	-68	-38.3	178.9	-61.2	179.6	0	0	0	112.6	G390 N394 I395 E396	G390-L392 PolarHBondContact O-N 2.81Å; G390-L392 VanDerWaalsContact O-N 3.07Å; L392-N394 VanDerWaalsContact C-N 3.34Å; L392-I395 PolarHBondContact O-N 3.11Å; L392-E396 PolarHBondContact O-N 3.26Å
393	R	94.6	Very high	95.4	Very high	68 Å²	68	44.7 Å²	44.7	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-70.3	-32.7	177.3	-171.8	54.2	175.8	-178.2	8	111.9	S355 D388 G390 E396 T397	S355-R393 PolarHBondContact O-NH2 2.81Å; D388-R393 WeakPolarHBondContact OD2-CG 3.34Å; G390-R393 WeakPolarHBondContact O-CA 3.26Å; G390-R393 PolarHBondContact O-N 3.02Å; R393-E396 WeakPolarHBondContact CD-OE2 3.37Å; R393-E396 IonicContact CZ-OE1 2.82Å; R393-E396 IonicContact CZ-OE2 3.72Å; R393-E396 IonicContact NE-OE2 3.91Å; R393-E396 IonicContact NH1-OE1 3.05Å; R393-E396 PolarHBondContact NH1-OE1 2.84Å; R393-E396 IonicContact NH1-OE2 2.78Å; R393-E396 PolarHBondContact NH1-OE2 2.85Å; R393-E396 PolarHBondContact O-N 3.35Å; R393-T397 VanDerWaalsContact O-CB 3.27Å; R393-T397 WeakPolarHBondContact O-CB 3.39Å; R393-T397 PolarHBondContact O-N 3.38Å; R393-T397 PolarHBondContact O-OG1 2.9Å
394	N	95.9	Very high	95.5	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-70.5	-36.8	172.8	-71.7	-8.8	0	0	0	112.4	I385 D388 G390 R391 L392 L398	I385-N394 HydrophobicContact CG1-CB 4.33Å; I385-N394 HydrophobicContact CG2-CB 4.06Å; I385-N394 PolarHBondContact O-ND2 3.43Å; I385-N394 VanDerWaalsContact O-ND2 3.1Å; D388-N394 PolarHBondContact O-ND2 2.86Å; G390-N394 PolarHBondContact O-N 3.09Å; R391-N394 PolarHBondContact O-N 3.37Å; L392-N394 VanDerWaalsContact C-N 3.34Å; N394-L398 WeakPolarHBondContact O-CB 3.25Å; N394-L398 PolarHBondContact O-N 3.23Å
395	I	96.7	Very high	95.6	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.046	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-46.6	170.8	-73	164.3	0	0	0	110.8	R391 L392 L398 S399 A547 A548	R391-I395 HydrophobicContact CG-CD1 4.06Å; R391-I395 WeakPolarHBondContact O-CD1 3.27Å; R391-I395 VanDerWaalsContact O-CG1 3.29Å; R391-I395 WeakPolarHBondContact O-CG1 3.29Å; R391-I395 PolarHBondContact O-N 3.01Å; L392-I395 PolarHBondContact O-N 3.11Å; I395-L398 PolarHBondContact O-N 3.19Å; I395-S399 VanDerWaalsContact O-CB 3.26Å; I395-S399 WeakPolarHBondContact O-CB 3.44Å; I395-S399 PolarHBondContact O-N 2.66Å; I395-A547 HydrophobicContact CD1-CB 3.85Å; I395-A547 HydrophobicContact CG1-CB 4.16Å; I395-A547 HydrophobicContact CG2-CB 3.9Å; I395-A548 HydrophobicContact CG2-CB 4.22Å; I395-A548 WeakPolarHBondContact O-CB 3.45Å
396	E	96.4	Very high	95.6	Very high	60 Å²	60	41.8 Å²	41.8	28%	0.28	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-44.4	176.4	-170.1	-163.6	153.8	0	0	112.1	L392 R393 S399 N400	L392-E396 PolarHBondContact O-N 3.26Å; R393-E396 WeakPolarHBondContact CD-OE2 3.37Å; R393-E396 IonicContact CZ-OE1 2.82Å; R393-E396 IonicContact CZ-OE2 3.72Å; R393-E396 IonicContact NE-OE2 3.91Å; R393-E396 IonicContact NH1-OE1 3.05Å; R393-E396 PolarHBondContact NH1-OE1 2.84Å; R393-E396 IonicContact NH1-OE2 2.78Å; R393-E396 PolarHBondContact NH1-OE2 2.85Å; R393-E396 PolarHBondContact O-N 3.35Å; E396-S399 WeakPolarHBondContact O-CB 3.32Å; E396-S399 PolarHBondContact O-N 2.9Å; E396-S399 VanDerWaalsContact O-N 3.16Å; E396-N400 PolarHBondContact O-N 3.3Å; E396-N400 PolarHBondContact O-ND2 3.47Å
397	T	98.1	Very high	95.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-42.3	179.5	-61.2	0	0	0	0	111.7	P354 S355 T381 K384 I385 R393 L401	P354-T397 HydrophobicContact CB-CG2 4.15Å; P354-T397 HydrophobicContact CG-CG2 3.82Å; S355-T397 WeakPolarHBondContact CB-OG1 3.34Å; T381-T397 HydrophobicContact CG2-CG2 4.45Å; K384-T397 HydrophobicContact CB-CG2 3.97Å; I385-T397 HydrophobicContact CD1-CG2 4.41Å; I385-T397 HydrophobicContact CG1-CG2 3.91Å; R393-T397 VanDerWaalsContact O-CB 3.27Å; R393-T397 WeakPolarHBondContact O-CB 3.39Å; R393-T397 PolarHBondContact O-N 3.38Å; R393-T397 PolarHBondContact O-OG1 2.9Å; T397-L401 PolarHBondContact O-N 3.24Å
398	L	98.3	Very high	95.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-40.2	171.8	178.6	56.5	0	0	0	111.6	T381 I385 N394 I395 N400 L401 L402 C420 L540 V545 A548	T381-L398 HydrophobicContact CG2-CD1 4.45Å; I385-L398 HydrophobicContact CD1-CB 3.91Å; N394-L398 WeakPolarHBondContact O-CB 3.25Å; N394-L398 PolarHBondContact O-N 3.23Å; I395-L398 PolarHBondContact O-N 3.19Å; L398-N400 VanDerWaalsContact C-N 3.28Å; L398-N400 PolarHBondContact O-N 3.21Å; L398-L401 HydrophobicContact CD1-CD2 4.28Å; L398-L401 WeakPolarHBondContact O-CB 3.19Å; L398-L401 PolarHBondContact O-N 3.22Å; L398-L402 HydrophobicContact CD1-CD1 4.27Å; L398-L402 HydrophobicContact CD1-CG 4.19Å; L398-L402 HydrophobicContact CG-CD1 4.02Å; L398-L402 HydrophobicContact CG-CG 4.39Å; L398-L402 WeakPolarHBondContact O-CG 3.15Å; L398-L402 PolarHBondContact O-N 3.48Å; L398-C420 HydrophobicContact CD1-CB 4.41Å; L398-C420 VanDerWaalsContact CD1-SG 3.58Å; L398-L540 HydrophobicContact CB-CD1 4.24Å; L398-L540 HydrophobicContact CD2-CD1 3.75Å; L398-L540 HydrophobicContact CD2-CD2 4.02Å; L398-V545 HydrophobicContact CD2-CB 4.44Å; L398-V545 HydrophobicContact CD2-CG2 4.11Å; L398-A548 HydrophobicContact CB-CB 3.76Å; L398-A548 HydrophobicContact CD2-CB 3.7Å; L398-A548 HydrophobicContact CG-CB 3.63Å
399	S	98.2	Very high	96	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-39.3	178.5	-167.8	0	0	0	0	111.6	I395 E396 L402 R403 A548 Q551 A552	I395-S399 VanDerWaalsContact O-CB 3.26Å; I395-S399 WeakPolarHBondContact O-CB 3.44Å; I395-S399 PolarHBondContact O-N 2.66Å; E396-S399 WeakPolarHBondContact O-CB 3.32Å; E396-S399 PolarHBondContact O-N 2.9Å; E396-S399 VanDerWaalsContact O-N 3.16Å; S399-L402 PolarHBondContact O-N 3.06Å; S399-L402 VanDerWaalsContact O-N 3.17Å; S399-R403 VanDerWaalsContact O-CG 3.24Å; S399-R403 WeakPolarHBondContact O-CG 3.39Å; S399-R403 PolarHBondContact O-N 2.93Å; S399-A548 WeakPolarHBondContact CB-O 2.94Å; S399-A548 PolarHBondContact OG-O 3.27Å; S399-A548 VanDerWaalsContact OG-O 3.04Å; S399-Q551 WeakPolarHBondContact OG-CB 3.48Å; S399-Q551 VanDerWaalsContact OG-CG 3.31Å; S399-Q551 WeakPolarHBondContact OG-CG 3.46Å; S399-A552 WeakPolarHBondContact OG-CA 3.34Å; S399-A552 PolarHBondContact OG-N 2.58Å; S399-A552 VanDerWaalsContact OG-N 3.1Å
400	N	98.4	Very high	96.4	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.027	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-44.7	175.6	-76.9	-24	0	0	0	112.9	P354 Y359 E396 L398 R403 S404	P354-N400 HydrophobicContact CB-CB 4.23Å; P354-N400 WeakPolarHBondContact O-CB 3.33Å; P354-N400 PolarHBondContact O-ND2 3.3Å; Y359-N400 WeakPolarHBondContact CB-ND2 3.43Å; Y359-N400 HydrophobicContact CD1-CB 3.44Å; Y359-N400 VanDerWaalsContact CD1-CB 3.44Å; Y359-N400 VanDerWaalsContact CD1-CG 3.47Å; Y359-N400 HydrophobicContact CD2-CB 4.35Å; Y359-N400 HydrophobicContact CE1-CB 3.77Å; Y359-N400 WeakPolarHBondContact CE1-O 3.22Å; Y359-N400 HydrophobicContact CG-CB 3.77Å; E396-N400 PolarHBondContact O-N 3.3Å; E396-N400 PolarHBondContact O-ND2 3.47Å; L398-N400 VanDerWaalsContact C-N 3.28Å; L398-N400 PolarHBondContact O-N 3.21Å; N400-R403 PolarHBondContact O-N 3.29Å; N400-R403 PolarHBondContact OD1-NH1 3.01Å; N400-S404 PolarHBondContact O-N 3.31Å
401	L	98.4	Very high	96.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.8	-51.7	170.3	173.7	72	0	0	0	110.7	Y352 W367 A377 T381 T397 L398 R403 S404 V405	Y352-L401 HydrophobicContact CE1-CD1 4.4Å; Y352-L401 WeakPolarHBondContact OH-CD1 3.43Å; W367-L401 HydrophobicContact CH2-CD1 4.05Å; W367-L401 HydrophobicContact CZ3-CD1 4.47Å; A377-L401 HydrophobicContact CB-CD1 4.43Å; T381-L401 HydrophobicContact CG2-CB 3.97Å; T381-L401 HydrophobicContact CG2-CD2 3.95Å; T397-L401 PolarHBondContact O-N 3.24Å; L398-L401 HydrophobicContact CD1-CD2 4.28Å; L398-L401 WeakPolarHBondContact O-CB 3.19Å; L398-L401 PolarHBondContact O-N 3.22Å; L401-R403 VanDerWaalsContact C-N 3.31Å; L401-R403 PolarHBondContact O-N 2.75Å; L401-S404 WeakPolarHBondContact O-CB 3.3Å; L401-S404 PolarHBondContact O-N 3.39Å; L401-S404 VanDerWaalsContact O-N 3.14Å; L401-V405 HydrophobicContact CD1-CG2 4.38Å; L401-V405 HydrophobicContact CG-CG2 4.43Å; L401-V405 WeakPolarHBondContact O-CG2 3.26Å; L401-V405 PolarHBondContact O-N 2.99Å
402	L	98.4	Very high	96.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64	-33.8	-175.2	-63.9	174.9	0	0	0	112.6	L398 S399 V405 L406 L413 C416 V417 A548 L549 A552	L398-L402 HydrophobicContact CD1-CD1 4.27Å; L398-L402 HydrophobicContact CD1-CG 4.19Å; L398-L402 HydrophobicContact CG-CD1 4.02Å; L398-L402 HydrophobicContact CG-CG 4.39Å; L398-L402 WeakPolarHBondContact O-CG 3.15Å; L398-L402 PolarHBondContact O-N 3.48Å; S399-L402 PolarHBondContact O-N 3.06Å; S399-L402 VanDerWaalsContact O-N 3.17Å; L402-V405 PolarHBondContact O-N 3.31Å; L402-L406 WeakPolarHBondContact O-CB 3.33Å; L402-L406 WeakPolarHBondContact O-CD1 3.38Å; L402-L406 VanDerWaalsContact O-CG 3.28Å; L402-L406 WeakPolarHBondContact O-CG 3.42Å; L402-L406 PolarHBondContact O-N 3.05Å; L402-L413 HydrophobicContact CD2-CD1 3.77Å; L402-C416 HydrophobicContact CD2-CB 4.5Å; L402-V417 HydrophobicContact CD2-CG2 4.25Å; L402-A548 HydrophobicContact CD1-CB 4.28Å; L402-L549 HydrophobicContact CD1-CB 4.15Å; L402-L549 HydrophobicContact CD1-CD1 4.45Å; L402-A552 HydrophobicContact CB-CB 3.62Å
403	R	98	Very high	97.1	Very high	12 Å²	12	19 Å²	19	5%	0.045	10%	0.096	C	C	.	.	H	α-helix	trans	-62.8	-40.8	172.8	-70.7	168.9	68.9	-143.3	2.2	112.3	Y359 P361 S399 N400 L401 L407 A552 T556 I567	Y359-R403 PolarHBondContact O-NH1 2.87Å; P361-R403 HydrophobicContact CB-CB 4.08Å; P361-R403 HydrophobicContact CG-CB 3.73Å; P361-R403 VanDerWaalsContact CG-NH2 3.35Å; S399-R403 VanDerWaalsContact O-CG 3.24Å; S399-R403 WeakPolarHBondContact O-CG 3.39Å; S399-R403 PolarHBondContact O-N 2.93Å; N400-R403 PolarHBondContact O-N 3.29Å; N400-R403 PolarHBondContact OD1-NH1 3.01Å; L401-R403 VanDerWaalsContact C-N 3.31Å; L401-R403 PolarHBondContact O-N 2.75Å; R403-L407 PolarHBondContact O-N 2.7Å; R403-A552 HydrophobicContact CG-CB 3.84Å; R403-T556 WeakPolarHBondContact CG-OG1 3.38Å; R403-T556 PolarHBondContact NE-OG1 3.04Å; R403-I567 PolarHBondContact NH2-O 2.66Å
404	S	97.9	Very high	97.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.9	-41.9	173.4	-67.2	0	0	0	0	112	Y359 P361 N400 L401 L406 L407 L408	Y359-S404 PolarHBondContact OH-OG 3.46Å; P361-S404 WeakPolarHBondContact CA-OG 3.35Å; P361-S404 WeakPolarHBondContact O-CA 3.22Å; P361-S404 VanDerWaalsContact O-CB 3.32Å; P361-S404 WeakPolarHBondContact O-CB 3.46Å; P361-S404 PolarHBondContact O-OG 3.12Å; N400-S404 PolarHBondContact O-N 3.31Å; L401-S404 WeakPolarHBondContact O-CB 3.3Å; L401-S404 PolarHBondContact O-N 3.39Å; L401-S404 VanDerWaalsContact O-N 3.14Å; S404-L406 PolarHBondContact O-N 3.22Å; S404-L407 PolarHBondContact O-N 3.34Å; S404-L408 VanDerWaalsContact O-CB 3.29Å; S404-L408 WeakPolarHBondContact O-CB 3.28Å; S404-L408 WeakPolarHBondContact O-CG 3.49Å; S404-L408 PolarHBondContact O-N 3.05Å
405	V	97.8	Very high	97.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.9	-43	176.8	-179.6	0	0	0	0	111.2	W367 V373 L401 L402 L407 S409 P410 D412 L413	W367-V405 HydrophobicContact CH2-CG2 4.2Å; W367-V405 HydrophobicContact CZ2-CG2 3.9Å; V373-V405 HydrophobicContact CG1-CG2 4.29Å; V373-V405 HydrophobicContact CG2-CG1 4.13Å; V373-V405 HydrophobicContact CG2-CG2 3.85Å; L401-V405 HydrophobicContact CD1-CG2 4.38Å; L401-V405 HydrophobicContact CG-CG2 4.43Å; L401-V405 WeakPolarHBondContact O-CG2 3.26Å; L401-V405 PolarHBondContact O-N 2.99Å; L402-V405 PolarHBondContact O-N 3.31Å; V405-L407 VanDerWaalsContact C-N 3.31Å; V405-L407 PolarHBondContact O-N 3.03Å; V405-S409 WeakPolarHBondContact CG1-O 3.4Å; V405-S409 CarbonylContact O-C 3.59Å; V405-S409 WeakPolarHBondContact O-CA 3.25Å; V405-S409 PolarHBondContact O-N 2.76Å; V405-P410 WeakPolarHBondContact O-CA 3.33Å; V405-P410 VanDerWaalsContact O-N 3.11Å; V405-D412 HydrophobicContact CG1-CB 4.39Å; V405-L413 HydrophobicContact CG1-CB 4.02Å; V405-L413 HydrophobicContact CG1-CD1 4.33Å
406	L	96.4	Very high	97.3	Very high	11 Å²	11	17 Å²	17	6%	0.058	9%	0.092	C	C	.	.	H	α-helix	trans	-55.8	-39.5	177	-82	160	0	0	0	113.8	L402 S404 L413 A552 V553 P558 L607	L402-L406 WeakPolarHBondContact O-CB 3.33Å; L402-L406 WeakPolarHBondContact O-CD1 3.38Å; L402-L406 VanDerWaalsContact O-CG 3.28Å; L402-L406 WeakPolarHBondContact O-CG 3.42Å; L402-L406 PolarHBondContact O-N 3.05Å; S404-L406 PolarHBondContact O-N 3.22Å; L406-L413 HydrophobicContact CD2-CD2 3.68Å; L406-L413 HydrophobicContact CG-CD2 4.22Å; L406-A552 HydrophobicContact CD1-CB 3.82Å; L406-V553 HydrophobicContact CD1-CG1 3.76Å; L406-V553 HydrophobicContact CD2-CG1 3.98Å; L406-P558 HydrophobicContact CD2-CB 4.14Å; L406-L607 HydrophobicContact CD2-CD2 3.74Å
407	L	94.9	Very high	97.4	Very high	20 Å²	20	14.1 Å²	14.1	11%	0.105	8%	0.078	C	C	.	.	H	α-helix	trans	-90.2	-34	-176	-68.1	176.8	0	0	0	114.3	P361 V362 R403 S404 V405 T556 P564	P361-L407 HydrophobicContact CB-CD1 3.76Å; V362-L407 HydrophobicContact CG2-CD1 4.23Å; R403-L407 PolarHBondContact O-N 2.7Å; S404-L407 PolarHBondContact O-N 3.34Å; V405-L407 VanDerWaalsContact C-N 3.31Å; V405-L407 PolarHBondContact O-N 3.03Å; L407-T556 HydrophobicContact CD1-CG2 3.49Å; L407-T556 VanDerWaalsContact CD1-CG2 3.49Å; L407-T556 HydrophobicContact CD2-CG2 3.57Å; L407-T556 HydrophobicContact CG-CG2 3.4Å; L407-P564 HydrophobicContact CD1-CG 4.02Å; L407-P564 HydrophobicContact CD2-CB 3.63Å; L407-P564 HydrophobicContact CD2-CG 3.86Å; L407-P564 HydrophobicContact CG-CG 4.46Å
408	L	96	Very high	97.3	Very high	5 Å²	5	14.1 Å²	14.1	3%	0.026	8%	0.078	C	C	.	.	H	α-helix	trans	-101.6	-31.7	-170.1	-56.8	177	0	0	0	112.5	V362 A365 W367 Q369 G370 S404 F562	V362-L408 HydrophobicContact CG1-CD2 4.4Å; V362-L408 HydrophobicContact CG2-CD2 4.38Å; A365-L408 HydrophobicContact CB-CD1 3.39Å; W367-L408 HydrophobicContact CZ2-CD1 4.38Å; Q369-L408 HydrophobicContact CB-CD2 4.04Å; G370-L408 PolarHBondContact N-O 2.65Å; S404-L408 VanDerWaalsContact O-CB 3.29Å; S404-L408 WeakPolarHBondContact O-CB 3.28Å; S404-L408 WeakPolarHBondContact O-CG 3.49Å; S404-L408 PolarHBondContact O-N 3.05Å; L408-F562 HydrophobicContact CD2-CE2 4Å
409	S	96.7	Very high	97.2	Very high	7 Å²	7	14.2 Å²	14.2	5%	0.049	8%	0.079	C	C	.	.			trans	-151.5	50.7	-166.2	-47.4	0	0	0	0	112.7	W367 Q371 V405 D411 D412	W367-S409 PolarHBondContact NE1-OG 3.18Å; Q371-S409 PolarHBondContact O-OG 2.78Å; V405-S409 WeakPolarHBondContact CG1-O 3.4Å; V405-S409 CarbonylContact O-C 3.59Å; V405-S409 WeakPolarHBondContact O-CA 3.25Å; V405-S409 PolarHBondContact O-N 2.76Å; S409-D411 PolarHBondContact O-N 3.4Å; S409-D411 VanDerWaalsContact O-N 3.09Å; S409-D412 WeakPolarHBondContact O-CB 3.31Å; S409-D412 PolarHBondContact O-N 2.8Å
410	P	95.9	Very high	97.1	Very high	50 Å²	50	14.5 Å²	14.5	33%	0.325	8%	0.08	S	C	.	.	G	3₁₀ helix	trans	-57.3	-32	-168.1	20.5	-33.1	0	0	0	114.5	V405 D412 L413 L607	V405-P410 WeakPolarHBondContact O-CA 3.33Å; V405-P410 VanDerWaalsContact O-N 3.11Å; P410-D412 PolarHBondContact O-N 3.19Å; P410-L413 WeakPolarHBondContact O-CB 3.35Å; P410-L413 PolarHBondContact O-N 2.94Å; P410-L607 HydrophobicContact CB-CD2 4.22Å
411	D	95.9	Very high	96.9	Very high	129 Å²	129	15.5 Å²	15.5	69%	0.69	9%	0.086	S	C	*	.	G	3₁₀ helix	trans	-53.4	-33.5	173.3	-57.3	-15	0	0	0	113.7	K372 S409 L413	K372-D411 IonicContact NZ-OD2 3.35Å; K372-D411 PolarHBondContact NZ-OD2 3.27Å; S409-D411 PolarHBondContact O-N 3.4Å; S409-D411 VanDerWaalsContact O-N 3.09Å; D411-L413 VanDerWaalsContact C-N 3.32Å
412	D	97.8	Very high	96.7	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.043	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-84.1	-9.2	-176.1	-68.1	-0.8	0	0	0	111.7	K372 V373 V405 S409 P410 L414 C415 C416	K372-D412 WeakPolarHBondContact CA-OD2 3.27Å; K372-D412 WeakPolarHBondContact CD-OD1 3.5Å; K372-D412 WeakPolarHBondContact CD-OD2 3.4Å; K372-D412 WeakPolarHBondContact CE-OD1 3.33Å; K372-D412 IonicContact NZ-OD1 3.54Å; K372-D412 PolarHBondContact NZ-OD1 2.95Å; V373-D412 HydrophobicContact CB-CB 4.37Å; V373-D412 HydrophobicContact CG2-CB 3.69Å; V373-D412 PolarHBondContact N-OD2 3.15Å; V405-D412 HydrophobicContact CG1-CB 4.39Å; S409-D412 WeakPolarHBondContact O-CB 3.31Å; S409-D412 PolarHBondContact O-N 2.8Å; P410-D412 PolarHBondContact O-N 3.19Å; D412-L414 VanDerWaalsContact C-N 3.3Å; D412-L414 PolarHBondContact O-N 3.49Å; D412-C415 PolarHBondContact O-N 3.45Å; D412-C415 VanDerWaalsContact O-N 3.12Å; D412-C415 PolarHBondContact O-SG 2.79Å; D412-C416 PolarHBondContact O-N 3.09Å; D412-C416 PolarHBondContact O-SG 3.12Å; D412-C416 VanDerWaalsContact O-SG 3.37Å
413	L	97.9	Very high	96.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-54.3	-44.9	-178.8	-178.7	61.5	0	0	0	112.6	L402 V405 L406 P410 D411 C415 C416 V417 L549 I603 L607	L402-L413 HydrophobicContact CD2-CD1 3.77Å; V405-L413 HydrophobicContact CG1-CB 4.02Å; V405-L413 HydrophobicContact CG1-CD1 4.33Å; L406-L413 HydrophobicContact CD2-CD2 3.68Å; L406-L413 HydrophobicContact CG-CD2 4.22Å; P410-L413 WeakPolarHBondContact O-CB 3.35Å; P410-L413 PolarHBondContact O-N 2.94Å; D411-L413 VanDerWaalsContact C-N 3.32Å; L413-C415 PolarHBondContact O-N 2.95Å; L413-C416 PolarHBondContact O-N 3.39Å; L413-V417 HydrophobicContact CD1-CG2 4.26Å; L413-V417 WeakPolarHBondContact O-CG2 3.5Å; L413-V417 PolarHBondContact O-N 2.7Å; L413-L549 HydrophobicContact CD1-CD1 4.33Å; L413-I603 HydrophobicContact CB-CG2 4.38Å; L413-I603 HydrophobicContact CD2-CG2 3.95Å; L413-I603 HydrophobicContact CG-CG2 4.13Å; L413-L607 HydrophobicContact CD2-CD1 4.45Å; L413-L607 HydrophobicContact CD2-CD2 3.84Å; L413-L607 HydrophobicContact CD2-CG 4.24Å
414	L	97.7	Very high	96.2	Very high	40 Å²	40	19.8 Å²	19.8	21%	0.209	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-43.4	179.7	-178.9	58.8	0	0	0	111.8	D412 Y418 Y599 I603	D412-L414 VanDerWaalsContact C-N 3.3Å; D412-L414 PolarHBondContact O-N 3.49Å; L414-Y418 HydrophobicContact CD1-CD2 3.85Å; L414-Y418 HydrophobicContact CD1-CE2 3.47Å; L414-Y418 VanDerWaalsContact CD1-CE2 3.47Å; L414-Y418 HydrophobicContact CG-CD2 4.09Å; L414-Y418 HydrophobicContact CG-CE2 4.01Å; L414-Y418 VanDerWaalsContact O-CD2 3.26Å; L414-Y418 WeakPolarHBondContact O-CD2 3.24Å; L414-Y418 PolarHBondContact O-N 2.92Å; L414-Y418 VanDerWaalsContact O-N 3.12Å; L414-Y599 WeakPolarHBondContact CD1-O 3.49Å; L414-I603 HydrophobicContact CB-CG2 4.21Å; L414-I603 HydrophobicContact CD1-CB 4.1Å; L414-I603 HydrophobicContact CD1-CG1 3.9Å
415	C	96.9	Very high	96	Very high	9 Å²	9	20 Å²	20	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-73.3	-34.2	179.3	84.1	0	0	0	0	112	D412 L413 L419 A487 G488 F491	D412-C415 PolarHBondContact O-N 3.45Å; D412-C415 VanDerWaalsContact O-N 3.12Å; D412-C415 PolarHBondContact O-SG 2.79Å; L413-C415 PolarHBondContact O-N 2.95Å; C415-L419 WeakPolarHBondContact O-CB 3.41Å; C415-L419 WeakPolarHBondContact O-CG 3.35Å; C415-L419 PolarHBondContact O-N 2.85Å; C415-A487 VanDerWaalsContact SG-C 3.6Å; C415-G488 VanDerWaalsContact SG-CA 3.52Å; C415-G488 PolarHBondContact SG-N 3.19Å; C415-F491 HydrophobicContact CB-CB 3.89Å; C415-F491 HydrophobicContact CB-CD1 3.48Å; C415-F491 VanDerWaalsContact CB-CD1 3.48Å; C415-F491 HydrophobicContact CB-CE1 4.12Å; C415-F491 HydrophobicContact CB-CG 3.77Å
416	C	97.9	Very high	95.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.9	-47.9	173.4	-70.4	0	0	0	0	111.6	L402 D412 L413 Y418 L419 C420	L402-C416 HydrophobicContact CD2-CB 4.5Å; D412-C416 PolarHBondContact O-N 3.09Å; D412-C416 PolarHBondContact O-SG 3.12Å; D412-C416 VanDerWaalsContact O-SG 3.37Å; L413-C416 PolarHBondContact O-N 3.39Å; C416-Y418 PolarHBondContact O-N 2.86Å; C416-L419 PolarHBondContact O-N 2.9Å; C416-C420 PolarHBondContact O-N 3.48Å; C416-C420 PolarHBondContact O-SG 3.21Å
417	V	97.6	Very high	95.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.1	-48.3	175.7	168.1	0	0	0	0	110.9	L402 L413 L419 C420 L421 V545 L549 Y599 I603	L402-V417 HydrophobicContact CD2-CG2 4.25Å; L413-V417 HydrophobicContact CD1-CG2 4.26Å; L413-V417 WeakPolarHBondContact O-CG2 3.5Å; L413-V417 PolarHBondContact O-N 2.7Å; V417-L419 PolarHBondContact O-N 2.84Å; V417-C420 PolarHBondContact O-N 2.97Å; V417-L421 HydrophobicContact CG1-CD1 3.91Å; V417-L421 WeakPolarHBondContact O-CG 3.29Å; V417-L421 PolarHBondContact O-N 3.23Å; V417-L421 VanDerWaalsContact O-N 3.1Å; V417-V545 HydrophobicContact CG1-CG1 4.14Å; V417-L549 HydrophobicContact CG2-CD1 4.38Å; V417-L549 HydrophobicContact CG2-CD2 4.3Å; V417-Y599 HydrophobicContact CG1-CD1 3.88Å; V417-Y599 HydrophobicContact CG1-CD2 4.35Å; V417-Y599 HydrophobicContact CG1-CE1 4Å; V417-Y599 HydrophobicContact CG1-CE2 4.47Å; V417-Y599 HydrophobicContact CG1-CG 4.06Å; V417-I603 HydrophobicContact CG2-CD1 4.33Å
418	Y	96.6	Very high	95.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.9	-39.8	178.2	-84.2	-51.7	0	0	0	113.7	L414 C416 L421 N422 Q423 G425 P426 F491 Y599 D600	L414-Y418 HydrophobicContact CD1-CD2 3.85Å; L414-Y418 HydrophobicContact CD1-CE2 3.47Å; L414-Y418 VanDerWaalsContact CD1-CE2 3.47Å; L414-Y418 HydrophobicContact CG-CD2 4.09Å; L414-Y418 HydrophobicContact CG-CE2 4.01Å; L414-Y418 VanDerWaalsContact O-CD2 3.26Å; L414-Y418 WeakPolarHBondContact O-CD2 3.24Å; L414-Y418 PolarHBondContact O-N 2.92Å; L414-Y418 VanDerWaalsContact O-N 3.12Å; C416-Y418 PolarHBondContact O-N 2.86Å; Y418-L421 PolarHBondContact O-N 3.21Å; Y418-N422 PolarHBondContact O-N 2.87Å; Y418-Q423 HydrophobicContact CD1-CB 3.79Å; Y418-Q423 HydrophobicContact CE1-CB 4.32Å; Y418-Q423 PolarHBondContact O-N 3.42Å; Y418-G425 VanDerWaalsContact CZ-CA 3.5Å; Y418-P426 WeakPolarHBondContact OH-CD 3.39Å; Y418-F491 VanDerWaalsContact CB-CE2 3.41Å; Y418-F491 HydrophobicContact CD2-CE1 4.28Å; Y418-F491 HydrophobicContact CD2-CE2 4.12Å; Y418-F491 AromaticContact CD2-CZ 3.5Å; Y418-F491 HydrophobicContact CD2-CZ 3.5Å; Y418-F491 HydrophobicContact CE2-CZ 4.36Å; Y418-F491 AromaticContact CG-CE2 3.96Å; Y418-F491 HydrophobicContact CG-CE2 3.96Å; Y418-F491 AromaticContact CG-CZ 3.83Å; Y418-F491 HydrophobicContact CG-CZ 3.83Å; Y418-Y599 HydrophobicContact CD1-CD2 4.41Å; Y418-Y599 AromaticContact CE1-CD2 3.79Å; Y418-Y599 HydrophobicContact CE1-CD2 3.79Å; Y418-D600 WeakPolarHBondContact CE2-OD1 3.13Å; Y418-D600 PolarHBondContact OH-N 2.8Å; Y418-D600 PolarHBondContact OH-OD2 2.87Å
419	L	96.4	Very high	94.8	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-40.2	174	-74.7	168.8	0	0	0	112	Y375 C415 C416 V417 L421 N422 A487 V490 F491 L494	Y375-L419 HydrophobicContact CD2-CD1 4.21Å; Y375-L419 HydrophobicContact CE2-CD1 4.18Å; Y375-L419 HydrophobicContact CE2-CD2 4.36Å; C415-L419 WeakPolarHBondContact O-CB 3.41Å; C415-L419 WeakPolarHBondContact O-CG 3.35Å; C415-L419 PolarHBondContact O-N 2.85Å; C416-L419 PolarHBondContact O-N 2.9Å; V417-L419 PolarHBondContact O-N 2.84Å; L419-L421 VanDerWaalsContact C-N 3.28Å; L419-L421 PolarHBondContact O-N 2.75Å; L419-N422 PolarHBondContact O-N 2.76Å; L419-N422 VanDerWaalsContact O-N 3.16Å; L419-A487 HydrophobicContact CD1-CB 3.94Å; L419-V490 HydrophobicContact CD2-CG1 4.36Å; L419-F491 HydrophobicContact CD1-CB 4.39Å; L419-F491 HydrophobicContact CD2-CB 4.46Å; L419-F491 HydrophobicContact CG-CB 4.35Å; L419-F491 HydrophobicContact CG-CD2 4.44Å; L419-L494 HydrophobicContact CD2-CD1 3.9Å
420	C	95.9	Very high	94.2	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.034	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-28.5	176	-62.5	0	0	0	0	113.4	F382 L398 C416 V417 V545	F382-C420 HydrophobicContact CE1-CB 4.2Å; L398-C420 HydrophobicContact CD1-CB 4.41Å; L398-C420 VanDerWaalsContact CD1-SG 3.58Å; C416-C420 PolarHBondContact O-N 3.48Å; C416-C420 PolarHBondContact O-SG 3.21Å; V417-C420 PolarHBondContact O-N 2.97Å; C420-V545 HydrophobicContact CB-CG2 4.34Å
421	L	94.1	Very high	93.8	Very high	26 Å²	26	29 Å²	29	14%	0.136	17%	0.169	C	C	.	.	H	α-helix	trans	-85.2	-12.5	173.8	-67.9	164.2	0	0	0	113.6	V417 Y418 L419 Q423 E542 V545 Y599	V417-L421 HydrophobicContact CG1-CD1 3.91Å; V417-L421 WeakPolarHBondContact O-CG 3.29Å; V417-L421 PolarHBondContact O-N 3.23Å; V417-L421 VanDerWaalsContact O-N 3.1Å; Y418-L421 PolarHBondContact O-N 3.21Å; L419-L421 VanDerWaalsContact C-N 3.28Å; L419-L421 PolarHBondContact O-N 2.75Å; L421-Q423 HydrophobicContact CB-CB 4.08Å; L421-Q423 HydrophobicContact CB-CG 3.91Å; L421-Q423 PolarHBondContact O-N 3.24Å; L421-E542 HydrophobicContact CD2-CB 3.89Å; L421-E542 HydrophobicContact CD2-CG 3.88Å; L421-V545 HydrophobicContact CD1-CG1 4.48Å; L421-V545 HydrophobicContact CD2-CB 3.91Å; L421-V545 HydrophobicContact CD2-CG1 4.27Å; L421-V545 HydrophobicContact CD2-CG2 3.6Å; L421-V545 HydrophobicContact CG-CB 4.36Å; L421-V545 HydrophobicContact CG-CG1 4.19Å; L421-V545 HydrophobicContact CG-CG2 4.01Å; L421-Y599 HydrophobicContact CD1-CD2 3.95Å; L421-Y599 HydrophobicContact CD1-CE2 3.24Å
422	N	94.5	Very high	93.3	Very high	35 Å²	35	29.4 Å²	29.4	19%	0.187	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	37.2	-164.1	-159.9	54.3	0	0	0	114.2	Y418 L419 S531 L536	Y418-N422 PolarHBondContact O-N 2.87Å; L419-N422 PolarHBondContact O-N 2.76Å; L419-N422 VanDerWaalsContact O-N 3.16Å; N422-S531 PolarHBondContact ND2-O 2.99Å; N422-S531 WeakPolarHBondContact OD1-CA 3.25Å; N422-S531 WeakPolarHBondContact OD1-CB 3.44Å; N422-S531 PolarHBondContact OD1-OG 3.18Å; N422-L536 HydrophobicContact CB-CB 4.14Å; N422-L536 HydrophobicContact CB-CD2 4.42Å
423	Q	92.9	Very high	92.8	Very high	52 Å²	52	30.1 Å²	30.1	24%	0.243	17%	0.171	C	C	.	.			trans	-107.5	159.1	177.1	-73.1	172.9	8.8	0	0	109.9	Y418 L421 E542	Y418-Q423 HydrophobicContact CD1-CB 3.79Å; Y418-Q423 HydrophobicContact CE1-CB 4.32Å; Y418-Q423 PolarHBondContact O-N 3.42Å; L421-Q423 HydrophobicContact CB-CB 4.08Å; L421-Q423 HydrophobicContact CB-CG 3.91Å; L421-Q423 PolarHBondContact O-N 3.24Å; Q423-E542 PolarHBondContact NE2-OE2 2.68Å
424	L	92.8	Very high	92.1	Very high	15 Å²	15	32 Å²	32	8%	0.079	19%	0.19	C	C	.	.	S	Bend	trans	-110.9	-3.9	179.5	-62	-174	0	0	0	114	M431 L433 F491 L494 K495 A498	L424-M431 HydrophobicContact CB-CB 4.19Å; L424-M431 HydrophobicContact CB-CE 4.48Å; L424-M431 VanDerWaalsContact O-CE 3.28Å; L424-M431 WeakPolarHBondContact O-CE 3.43Å; L424-L433 HydrophobicContact CD1-CD2 3.86Å; L424-L433 HydrophobicContact CD1-CG 3.97Å; L424-F491 HydrophobicContact CD2-CE2 4.33Å; L424-L494 HydrophobicContact CD2-CB 3.65Å; L424-K495 HydrophobicContact CB-CG 4.19Å; L424-K495 HydrophobicContact CD2-CG 4.34Å; L424-K495 WeakPolarHBondContact O-CD 3.35Å; L424-K495 WeakPolarHBondContact O-CE 3.49Å; L424-K495 PolarHBondContact O-NZ 2.77Å; L424-A498 HydrophobicContact CD1-CB 3.48Å; L424-A498 VanDerWaalsContact CD1-CB 3.48Å
425	G	92.9	Very high	91.6	Very high	5 Å²	5	31 Å²	31	5%	0.052	19%	0.185	C	C	.	.	S	Bend	trans	161	-172.9	-172.2	0	0	0	0	0	108.7	Y418	Y418-G425 VanDerWaalsContact CZ-CA 3.5Å
426	P	92.2	Very high	91.1	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.039	20%	0.203	C	C	.	.			trans	-60.3	144.1	171.8	-21.4	33.9	0	0	0	111.8	Y418 Y428 L429 N598 D600	Y418-P426 WeakPolarHBondContact OH-CD 3.39Å; P426-Y428 VanDerWaalsContact C-N 3.26Å; P426-Y428 HydrophobicContact CB-CD1 3.71Å; P426-Y428 HydrophobicContact CB-CE1 3.28Å; P426-Y428 HydrophobicContact CB-CE2 4.43Å; P426-Y428 HydrophobicContact CB-CG 4.45Å; P426-Y428 HydrophobicContact CG-CE1 4.16Å; P426-Y428 PolarHBondContact O-N 2.96Å; P426-L429 PolarHBondContact O-N 2.89Å; P426-L429 VanDerWaalsContact O-N 3.11Å; P426-N598 HydrophobicContact CG-CB 4.01Å; P426-N598 VanDerWaalsContact CG-CG 3.41Å; P426-N598 VanDerWaalsContact CG-OD1 3.29Å; P426-N598 WeakPolarHBondContact CG-OD1 3.37Å; P426-D600 VanDerWaalsContact CD-OD2 3.3Å; P426-D600 WeakPolarHBondContact CD-OD2 3.31Å
427	A	87.9	Confident	90.6	Very high	51 Å²	51	36.8 Å²	36.8	42%	0.421	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-57.4	-36.8	-174.2	0	0	0	0	0	113.4	L429 G430 Q677	A427-L429 PolarHBondContact O-N 2.83Å; A427-L429 VanDerWaalsContact O-N 3.13Å; A427-G430 PolarHBondContact O-N 3.15Å; A427-Q677 CarbonylContact C-O 3.57Å; A427-Q677 HydrophobicContact CB-CB 4.13Å
428	Y	89.8	Confident	90.1	Very high	28 Å²	28	41.8 Å²	41.8	11%	0.11	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-67.5	-12.4	-178.5	61.1	-94.9	0	0	0	114.2	P426 G430 N598 V624 P625 F673 Q677	P426-Y428 VanDerWaalsContact C-N 3.26Å; P426-Y428 HydrophobicContact CB-CD1 3.71Å; P426-Y428 HydrophobicContact CB-CE1 3.28Å; P426-Y428 HydrophobicContact CB-CE2 4.43Å; P426-Y428 HydrophobicContact CB-CG 4.45Å; P426-Y428 HydrophobicContact CG-CE1 4.16Å; P426-Y428 PolarHBondContact O-N 2.96Å; Y428-G430 PolarHBondContact O-N 2.98Å; Y428-N598 PolarHBondContact OH-ND2 2.89Å; Y428-V624 HydrophobicContact CE1-CG1 3.79Å; Y428-P625 HydrophobicContact CD1-CG 3.75Å; Y428-P625 HydrophobicContact CG-CG 4.09Å; Y428-F673 HydrophobicContact CG-CE1 4.47Å; Y428-Q677 WeakPolarHBondContact CA-O 3.29Å; Y428-Q677 WeakPolarHBondContact CB-O 3.33Å; Y428-Q677 PolarHBondContact N-O 3.11Å
429	L	90.1	Very high	89.8	Confident	94 Å²	94	43.4 Å²	43.4	49%	0.492	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-79.2	-4.2	171.1	-59.3	-172.1	0	0	0	113.3	P426 A427 M431	P426-L429 PolarHBondContact O-N 2.89Å; P426-L429 VanDerWaalsContact O-N 3.11Å; A427-L429 PolarHBondContact O-N 2.83Å; A427-L429 VanDerWaalsContact O-N 3.13Å; L429-M431 HydrophobicContact CB-CE 4Å; L429-M431 HydrophobicContact CB-CG 4.42Å; L429-M431 HydrophobicContact CD1-CE 3.9Å; L429-M431 PolarHBondContact O-N 2.83Å; L429-M431 VanDerWaalsContact O-N 3.07Å
430	G	85.1	Confident	89.6	Confident	44 Å²	44	43.3 Å²	43.3	45%	0.454	26%	0.263	S	S	.	.			trans	60.9	21.9	172.1	0	0	0	0	0	115.4	A427 Y428 E432	A427-G430 PolarHBondContact O-N 3.15Å; Y428-G430 PolarHBondContact O-N 2.98Å; G430-E432 PolarHBondContact O-N 2.77Å
431	M	87.1	Confident	89.4	Confident	59 Å²	59	43.9 Å²	43.9	29%	0.291	27%	0.265	S	S	.	.			trans	-75.1	82.2	-174.9	-76.4	-172.7	-71.9	0	0	112.5	L424 L429	L424-M431 HydrophobicContact CB-CB 4.19Å; L424-M431 HydrophobicContact CB-CE 4.48Å; L424-M431 VanDerWaalsContact O-CE 3.28Å; L424-M431 WeakPolarHBondContact O-CE 3.43Å; L429-M431 HydrophobicContact CB-CE 4Å; L429-M431 HydrophobicContact CB-CG 4.42Å; L429-M431 HydrophobicContact CD1-CE 3.9Å; L429-M431 PolarHBondContact O-N 2.83Å; L429-M431 VanDerWaalsContact O-N 3.07Å
432	E	85.4	Confident	89.3	Confident	138 Å²	138	47.2 Å²	47.2	65%	0.645	28%	0.279	S	S	*	.			trans	-84.3	138.9	171.4	-67.1	176.6	-132.1	0	0	112.2	G430 G434 A498	G430-E432 PolarHBondContact O-N 2.77Å; E432-G434 VanDerWaalsContact C-N 3.26Å; E432-G434 PolarHBondContact O-N 3.05Å; E432-A498 VanDerWaalsContact O-CA 3.29Å; E432-A498 WeakPolarHBondContact O-CA 3.25Å; E432-A498 VanDerWaalsContact O-CB 3.29Å; E432-A498 WeakPolarHBondContact O-CB 3.35Å
433	L	87.4	Confident	89.1	Confident	23 Å²	23	45.5 Å²	45.5	12%	0.12	27%	0.27	C	S	.	.			trans	-62.3	-33.2	173.1	-74.2	162	0	0	0	112.8	L424 V435 L494 I497 K509 S531 L532	L424-L433 HydrophobicContact CD1-CD2 3.86Å; L424-L433 HydrophobicContact CD1-CG 3.97Å; L433-V435 HydrophobicContact CB-CG2 4.38Å; L433-L494 HydrophobicContact CD2-CB 4.23Å; L433-L494 HydrophobicContact CD2-CD2 4.06Å; L433-L494 WeakPolarHBondContact CD2-O 3.29Å; L433-I497 HydrophobicContact CD2-CB 4.24Å; L433-I497 HydrophobicContact CD2-CG2 3.82Å; L433-K509 PolarHBondContact O-NZ 2.84Å; L433-S531 WeakPolarHBondContact CD1-O 3.47Å; L433-L532 HydrophobicContact CD2-CD2 4.36Å
434	G	83.8	Confident	89	Confident	39 Å²	39	43.1 Å²	43.1	40%	0.402	26%	0.258	S	S	.	.			trans	62	39.4	-177.4	0	0	0	0	0	113.7	E432	E432-G434 VanDerWaalsContact C-N 3.26Å; E432-G434 PolarHBondContact O-N 3.05Å
435	V	87.1	Confident	89	Confident	18 Å²	18	42.8 Å²	42.8	11%	0.109	26%	0.258	C	S	.	.			trans	-120.1	103.6	-179.7	-176.2	0	0	0	0	109.8	L433 V439 L440 I497 K509 I513	L433-V435 HydrophobicContact CB-CG2 4.38Å; V435-V439 HydrophobicContact CG1-CB 4.31Å; V435-V439 HydrophobicContact CG1-CG1 4.23Å; V435-L440 HydrophobicContact CG1-CB 4.07Å; V435-I497 HydrophobicContact CG2-CG2 3.88Å; V435-K509 HydrophobicContact CG2-CD 4.36Å; V435-I513 HydrophobicContact CG1-CD1 4.13Å; V435-I513 HydrophobicContact CG2-CD1 4.14Å
436	G	86	Confident	88.8	Confident	42 Å²	42	47.2 Å²	47.2	43%	0.433	28%	0.277	S	S	.	.			trans	-73.8	157.4	176.4	0	0	0	0	0	113.5	T438 V439 L440	G436-T438 VanDerWaalsContact C-N 3.29Å; G436-T438 PolarHBondContact O-N 2.83Å; G436-V439 WeakPolarHBondContact O-CA 3.43Å; G436-V439 WeakPolarHBondContact O-CB 3.5Å; G436-V439 PolarHBondContact O-N 3.38Å; G436-L440 PolarHBondContact O-N 2.9Å
437	E	87.1	Confident	88.6	Confident	89 Å²	89	47.4 Å²	47.4	42%	0.416	28%	0.28	S	S	.	.	H	α-helix	trans	-52.8	-43.8	-175.8	-157.5	173.3	160.8	0	0	111.6	V439 L440 M441 K854	E437-V439 PolarHBondContact O-N 3.37Å; E437-L440 PolarHBondContact O-N 2.99Å; E437-M441 HydrophobicContact CG-CE 4.21Å; E437-M441 WeakPolarHBondContact O-CG 3.2Å; E437-M441 PolarHBondContact O-N 2.71Å; E437-K854 IonicContact OE1-NZ 3.42Å; E437-K854 PolarHBondContact OE1-NZ 2.65Å; E437-K854 IonicContact OE2-NZ 2.69Å; E437-K854 PolarHBondContact OE2-NZ 3.28Å; E437-K854 VanDerWaalsContact OE2-NZ 3.16Å
438	T	87.9	Confident	88.6	Confident	105 Å²	105	45.5 Å²	45.5	64%	0.644	26%	0.263	S	S	*	.	H	α-helix	trans	-63.7	-36.2	176	-42.8	0	0	0	0	113.9	G436 K442	G436-T438 VanDerWaalsContact C-N 3.29Å; G436-T438 PolarHBondContact O-N 2.83Å; T438-K442 WeakPolarHBondContact O-CB 3.39Å; T438-K442 PolarHBondContact O-N 2.79Å
439	V	89.3	Confident	88.5	Confident	35 Å²	35	47.6 Å²	47.6	21%	0.212	29%	0.293	C	S	.	.	H	α-helix	trans	-70	-39.5	177.6	179.7	0	0	0	0	109.9	V435 G436 E437 K442 A443 M506 I510	V435-V439 HydrophobicContact CG1-CB 4.31Å; V435-V439 HydrophobicContact CG1-CG1 4.23Å; G436-V439 WeakPolarHBondContact O-CA 3.43Å; G436-V439 WeakPolarHBondContact O-CB 3.5Å; G436-V439 PolarHBondContact O-N 3.38Å; E437-V439 PolarHBondContact O-N 3.37Å; V439-K442 PolarHBondContact O-N 3.07Å; V439-A443 PolarHBondContact O-N 2.9Å; V439-M506 HydrophobicContact CB-CE 4.46Å; V439-M506 HydrophobicContact CG1-CE 4.01Å; V439-M506 HydrophobicContact CG2-CE 3.82Å; V439-I510 HydrophobicContact CG1-CD1 4.07Å; V439-I510 HydrophobicContact CG1-CG1 3.92Å
440	L	92.1	Very high	88.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.5	-41.3	175.5	-169	54.7	0	0	0	111.7	V435 G436 E437 K442 A443 V444 L465 I513 V529 L532 A533	V435-L440 HydrophobicContact CG1-CB 4.07Å; G436-L440 PolarHBondContact O-N 2.9Å; E437-L440 PolarHBondContact O-N 2.99Å; L440-K442 VanDerWaalsContact C-N 3.32Å; L440-K442 PolarHBondContact O-N 3.05Å; L440-A443 PolarHBondContact O-N 3.35Å; L440-V444 WeakPolarHBondContact O-CG2 3.42Å; L440-V444 PolarHBondContact O-N 3.23Å; L440-L465 HydrophobicContact CB-CD2 4.08Å; L440-L465 HydrophobicContact CD2-CD2 4.1Å; L440-L465 HydrophobicContact CG-CD2 3.8Å; L440-I513 HydrophobicContact CD1-CG2 4.24Å; L440-V529 HydrophobicContact CD2-CG1 3.77Å; L440-V529 WeakPolarHBondContact CD2-O 3.42Å; L440-V529 HydrophobicContact CG-CG1 4.16Å; L440-L532 HydrophobicContact CD1-CB 3.77Å; L440-L532 HydrophobicContact CD1-CD1 3.76Å; L440-L532 HydrophobicContact CD1-CG 4.39Å; L440-L532 HydrophobicContact CD2-CB 3.8Å; L440-L532 HydrophobicContact CG-CB 4.46Å; L440-A533 HydrophobicContact CD2-CB 3.84Å
441	M	92.4	Very high	88.8	Confident	18 Å²	18	51.2 Å²	51.2	9%	0.089	29%	0.293	C	S	.	.	H	α-helix	trans	-58.2	-43.1	170.4	-71.5	-174.2	-176	0	0	111.5	E437 V444 A445 L452 I455 K456 A459 L465	E437-M441 HydrophobicContact CG-CE 4.21Å; E437-M441 WeakPolarHBondContact O-CG 3.2Å; E437-M441 PolarHBondContact O-N 2.71Å; M441-V444 PolarHBondContact O-N 3.01Å; M441-A445 VanDerWaalsContact O-CB 3.24Å; M441-A445 WeakPolarHBondContact O-CB 3.28Å; M441-A445 PolarHBondContact O-N 3.39Å; M441-L452 HydrophobicContact CB-CD1 3.7Å; M441-I455 HydrophobicContact CB-CG2 4.11Å; M441-I455 HydrophobicContact CG-CG2 4.17Å; M441-K456 HydrophobicContact SD-CB 4.06Å; M441-K456 HydrophobicContact SD-CG 4.23Å; M441-A459 HydrophobicContact CE-CB 3.78Å; M441-L465 HydrophobicContact CG-CD1 3.84Å; M441-L465 HydrophobicContact CG-CD2 3.74Å; M441-L465 HydrophobicContact CG-CG 4.46Å
442	K	91.1	Very high	89.1	Confident	95 Å²	95	51.6 Å²	51.6	41%	0.413	30%	0.295	S	S	.	.	H	α-helix	trans	-63	-41	175.3	-175.1	179	-179.9	-179.4	0	112.2	T438 V439 L440 A445 Q446 I510	T438-K442 WeakPolarHBondContact O-CB 3.39Å; T438-K442 PolarHBondContact O-N 2.79Å; V439-K442 PolarHBondContact O-N 3.07Å; L440-K442 VanDerWaalsContact C-N 3.32Å; L440-K442 PolarHBondContact O-N 3.05Å; K442-A445 PolarHBondContact O-N 2.99Å; K442-Q446 WeakPolarHBondContact O-CB 3.35Å; K442-Q446 WeakPolarHBondContact O-CG 3.29Å; K442-Q446 PolarHBondContact O-N 2.89Å; K442-I510 HydrophobicContact CD-CD1 4.38Å
443	A	91.4	Very high	89.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-42.3	176	0	0	0	0	0	112.1	V439 L440 A447 I510 I513	V439-A443 PolarHBondContact O-N 2.9Å; L440-A443 PolarHBondContact O-N 3.35Å; A443-A447 WeakPolarHBondContact O-CB 3.46Å; A443-A447 PolarHBondContact O-N 2.89Å; A443-I510 HydrophobicContact CB-CG1 4.47Å; A443-I510 HydrophobicContact CB-CG2 4.22Å; A443-I513 HydrophobicContact CB-CB 4.3Å; A443-I513 HydrophobicContact CB-CG2 3.67Å
444	V	91.3	Very high	89.6	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-48.3	172.9	172	0	0	0	0	110.5	L440 M441 Q446 A447 T448 I455 A469 F517 V529	L440-V444 WeakPolarHBondContact O-CG2 3.42Å; L440-V444 PolarHBondContact O-N 3.23Å; M441-V444 PolarHBondContact O-N 3.01Å; V444-Q446 PolarHBondContact O-N 3.14Å; V444-A447 PolarHBondContact O-N 2.86Å; V444-T448 HydrophobicContact CG1-CG2 4.17Å; V444-T448 VanDerWaalsContact O-CB 3.29Å; V444-T448 WeakPolarHBondContact O-CB 3.36Å; V444-T448 WeakPolarHBondContact O-CG2 3.43Å; V444-T448 PolarHBondContact O-N 2.9Å; V444-T448 PolarHBondContact O-OG1 2.8Å; V444-I455 HydrophobicContact CG1-CD1 4.07Å; V444-I455 HydrophobicContact CG1-CG2 4.32Å; V444-A469 HydrophobicContact CG1-CB 4.09Å; V444-A469 HydrophobicContact CG2-CB 4Å; V444-F517 HydrophobicContact CG2-CE1 4.38Å; V444-F517 HydrophobicContact CG2-CE2 3.66Å; V444-F517 HydrophobicContact CG2-CZ 3.48Å; V444-F517 VanDerWaalsContact CG2-CZ 3.48Å; V444-V529 HydrophobicContact CG2-CG2 4.42Å
445	A	91.4	Very high	90.1	Very high	9 Å²	9	53.8 Å²	53.8	7%	0.074	30%	0.297	C	S	.	.	H	α-helix	trans	-56.4	-51.5	177.9	0	0	0	0	0	111.8	M441 K442 T448 G449 R450 L452 I455	M441-A445 VanDerWaalsContact O-CB 3.24Å; M441-A445 WeakPolarHBondContact O-CB 3.28Å; M441-A445 PolarHBondContact O-N 3.39Å; K442-A445 PolarHBondContact O-N 2.99Å; A445-T448 PolarHBondContact O-N 2.77Å; A445-T448 PolarHBondContact O-OG1 3Å; A445-G449 PolarHBondContact O-N 3.07Å; A445-R450 WeakPolarHBondContact CB-O 3.2Å; A445-R450 PolarHBondContact O-N 2.78Å; A445-R450 VanDerWaalsContact O-N 3.13Å; A445-L452 HydrophobicContact CB-CB 4.47Å; A445-L452 HydrophobicContact CB-CD1 4.18Å; A445-I455 HydrophobicContact CB-CG1 4.17Å
446	Q	89.8	Confident	90.3	Very high	97 Å²	97	58.9 Å²	58.9	45%	0.453	32%	0.317	S	S	.	.	H	α-helix	trans	-62.5	-43.4	176.5	-74	-172	0.5	0	0	112.8	K442 V444 T448 K514	K442-Q446 WeakPolarHBondContact O-CB 3.35Å; K442-Q446 WeakPolarHBondContact O-CG 3.29Å; K442-Q446 PolarHBondContact O-N 2.89Å; V444-Q446 PolarHBondContact O-N 3.14Å; Q446-T448 VanDerWaalsContact C-N 3.26Å; Q446-T448 PolarHBondContact O-N 2.83Å; Q446-K514 HydrophobicContact CB-CD 4.17Å
447	A	87.8	Confident	90.4	Very high	11 Å²	11	59.4 Å²	59.4	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-67.1	-28	178.4	0	0	0	0	0	112.5	A443 V444 R473 K514 F517	A443-A447 WeakPolarHBondContact O-CB 3.46Å; A443-A447 PolarHBondContact O-N 2.89Å; V444-A447 PolarHBondContact O-N 2.86Å; A447-R473 PolarHBondContact O-NH2 2.73Å; A447-K514 HydrophobicContact CB-CG 4.11Å; A447-F517 HydrophobicContact CB-CB 3.91Å; A447-F517 HydrophobicContact CB-CD2 3.96Å; A447-F517 HydrophobicContact CB-CG 4.24Å
448	T	87.3	Confident	90.6	Very high	10 Å²	10	56.6 Å²	56.6	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-100.8	-7.3	-174.6	58.9	0	0	0	0	113.9	V444 A445 Q446 R450 Q476	V444-T448 HydrophobicContact CG1-CG2 4.17Å; V444-T448 VanDerWaalsContact O-CB 3.29Å; V444-T448 WeakPolarHBondContact O-CB 3.36Å; V444-T448 WeakPolarHBondContact O-CG2 3.43Å; V444-T448 PolarHBondContact O-N 2.9Å; V444-T448 PolarHBondContact O-OG1 2.8Å; A445-T448 PolarHBondContact O-N 2.77Å; A445-T448 PolarHBondContact O-OG1 3Å; Q446-T448 VanDerWaalsContact C-N 3.26Å; Q446-T448 PolarHBondContact O-N 2.83Å; T448-R450 PolarHBondContact O-N 3.26Å; T448-R450 WeakPolarHBondContact OG1-CB 3.44Å; T448-R450 WeakPolarHBondContact OG1-CG 3.38Å; T448-Q476 PolarHBondContact O-NE2 2.89Å
449	G	87.7	Confident	90.7	Very high	72 Å²	72	51.7 Å²	51.7	74%	0.742	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	21.9	-174.3	0	0	0	0	0	113.3	A445	A445-G449 PolarHBondContact O-N 3.07Å
450	R	90.1	Very high	90.6	Very high	55 Å²	55	54.3 Å²	54.3	21%	0.208	29%	0.285	C	S	.	.			trans	-103.9	145.2	-174.3	-62.8	-175	60.4	-176.1	-1.7	111	A445 T448 I455 E458 S472	A445-R450 WeakPolarHBondContact CB-O 3.2Å; A445-R450 PolarHBondContact O-N 2.78Å; A445-R450 VanDerWaalsContact O-N 3.13Å; T448-R450 PolarHBondContact O-N 3.26Å; T448-R450 WeakPolarHBondContact OG1-CB 3.44Å; T448-R450 WeakPolarHBondContact OG1-CG 3.38Å; R450-I455 HydrophobicContact CB-CD1 4.02Å; R450-I455 HydrophobicContact CB-CG1 4.17Å; R450-E458 IonicContact CZ-OE1 2.83Å; R450-E458 IonicContact CZ-OE2 3.52Å; R450-E458 IonicContact NH1-OE1 3.97Å; R450-E458 IonicContact NH1-OE2 3.82Å; R450-E458 PolarHBondContact NH1-OE2 2.73Å; R450-E458 IonicContact NH2-OE1 2.68Å; R450-E458 PolarHBondContact NH2-OE1 3.33Å; R450-E458 IonicContact NH2-OE2 3.16Å; R450-E458 PolarHBondContact NH2-OE2 3.32Å; R450-E458 VanDerWaalsContact NH2-OE2 3.17Å; R450-S472 WeakPolarHBondContact CD-OG 3.27Å; R450-S472 PolarHBondContact NH1-OG 2.99Å
451	H	91.8	Very high	90.3	Very high	160 Å²	160	61.4 Å²	61.4	74%	0.741	32%	0.318	S	S	*	.			trans	-62.5	138	172.3	-67.6	-87.5	0	0	0	111.5	D453 K454 I455	H451-D453 VanDerWaalsContact C-N 3.32Å; H451-D453 PolarHBondContact O-N 3.47Å; H451-K454 PolarHBondContact O-N 3.42Å; H451-I455 PolarHBondContact O-N 3.02Å
452	L	92.6	Very high	90.1	Very high	66 Å²	66	63.6 Å²	63.6	35%	0.346	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-39.1	-173.6	-178.5	59	0	0	0	112.5	M441 A445 K454 I455 K456	M441-L452 HydrophobicContact CB-CD1 3.7Å; A445-L452 HydrophobicContact CB-CB 4.47Å; A445-L452 HydrophobicContact CB-CD1 4.18Å; L452-K454 VanDerWaalsContact C-N 3.3Å; L452-K454 PolarHBondContact O-N 3.24Å; L452-I455 CarbonylContact O-C 3.59Å; L452-I455 WeakPolarHBondContact O-CA 3.26Å; L452-I455 WeakPolarHBondContact O-CB 3.2Å; L452-I455 PolarHBondContact O-N 3.43Å; L452-I455 VanDerWaalsContact O-N 3.08Å; L452-K456 PolarHBondContact O-N 3.36Å
453	D	92.3	Very high	89.9	Confident	120 Å²	120	59.3 Å²	59.3	64%	0.642	31%	0.31	S	S	*	.	H	α-helix	trans	-66.2	-34	-177	-47.7	-72.3	0	0	0	112	H451 K456 A457	H451-D453 VanDerWaalsContact C-N 3.32Å; H451-D453 PolarHBondContact O-N 3.47Å; D453-K456 PolarHBondContact O-N 3.11Å; D453-A457 WeakPolarHBondContact O-CB 3.5Å; D453-A457 PolarHBondContact O-N 3.15Å
454	K	92.1	Very high	89.8	Confident	126 Å²	126	59.7 Å²	59.7	55%	0.548	31%	0.312	S	S	.	.	H	α-helix	trans	-71.9	-32.7	173.5	-164.4	175.4	177	176	0	112	H451 L452 E458	H451-K454 PolarHBondContact O-N 3.42Å; L452-K454 VanDerWaalsContact C-N 3.3Å; L452-K454 PolarHBondContact O-N 3.24Å; K454-E458 WeakPolarHBondContact CE-OE1 3.45Å; K454-E458 WeakPolarHBondContact O-CB 3.43Å; K454-E458 WeakPolarHBondContact O-CG 3.49Å; K454-E458 PolarHBondContact O-N 3.32Å; K454-E458 VanDerWaalsContact O-N 3.11Å
455	I	92.9	Very high	89.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-66.8	-42.3	170.8	-63.1	-62.6	0	0	0	110.5	M441 V444 A445 R450 H451 L452 A459 L465 V468	M441-I455 HydrophobicContact CB-CG2 4.11Å; M441-I455 HydrophobicContact CG-CG2 4.17Å; V444-I455 HydrophobicContact CG1-CD1 4.07Å; V444-I455 HydrophobicContact CG1-CG2 4.32Å; A445-I455 HydrophobicContact CB-CG1 4.17Å; R450-I455 HydrophobicContact CB-CD1 4.02Å; R450-I455 HydrophobicContact CB-CG1 4.17Å; H451-I455 PolarHBondContact O-N 3.02Å; L452-I455 CarbonylContact O-C 3.59Å; L452-I455 WeakPolarHBondContact O-CA 3.26Å; L452-I455 WeakPolarHBondContact O-CB 3.2Å; L452-I455 PolarHBondContact O-N 3.43Å; L452-I455 VanDerWaalsContact O-N 3.08Å; I455-A459 WeakPolarHBondContact O-CB 3.34Å; I455-A459 PolarHBondContact O-N 3.46Å; I455-L465 HydrophobicContact CG2-CD1 3.68Å; I455-V468 HydrophobicContact CD1-CG1 3.75Å; I455-V468 HydrophobicContact CG2-CG1 4.29Å
456	K	91.2	Very high	89.9	Confident	125 Å²	125	59.8 Å²	59.8	54%	0.543	31%	0.311	S	S	.	.	H	α-helix	trans	-61.3	-48.6	176.5	-173.9	-174.8	176.2	-171.1	0	111.4	M441 L452 D453 A459 Q460	M441-K456 HydrophobicContact SD-CB 4.06Å; M441-K456 HydrophobicContact SD-CG 4.23Å; L452-K456 PolarHBondContact O-N 3.36Å; D453-K456 PolarHBondContact O-N 3.11Å; K456-A459 PolarHBondContact O-N 2.7Å; K456-Q460 PolarHBondContact O-N 2.82Å
457	A	89.5	Confident	90	Very high	54 Å²	54	57.9 Å²	57.9	45%	0.446	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-51.9	178.6	0	0	0	0	0	112.3	D453 A459 Q460 E461	D453-A457 WeakPolarHBondContact O-CB 3.5Å; D453-A457 PolarHBondContact O-N 3.15Å; A457-A459 PolarHBondContact O-N 3.37Å; A457-Q460 PolarHBondContact O-N 3.02Å; A457-Q460 VanDerWaalsContact O-N 3.17Å; A457-E461 WeakPolarHBondContact O-CB 3.28Å; A457-E461 PolarHBondContact O-N 2.98Å
458	E	91.1	Very high	90.3	Very high	29 Å²	29	57.3 Å²	57.3	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-64.7	-27.5	178.7	-73	176.8	-158.6	0	0	112.8	R450 K454 K462 V468	R450-E458 IonicContact CZ-OE1 2.83Å; R450-E458 IonicContact CZ-OE2 3.52Å; R450-E458 IonicContact NH1-OE1 3.97Å; R450-E458 IonicContact NH1-OE2 3.82Å; R450-E458 PolarHBondContact NH1-OE2 2.73Å; R450-E458 IonicContact NH2-OE1 2.68Å; R450-E458 PolarHBondContact NH2-OE1 3.33Å; R450-E458 IonicContact NH2-OE2 3.16Å; R450-E458 PolarHBondContact NH2-OE2 3.32Å; R450-E458 VanDerWaalsContact NH2-OE2 3.17Å; K454-E458 WeakPolarHBondContact CE-OE1 3.45Å; K454-E458 WeakPolarHBondContact O-CB 3.43Å; K454-E458 WeakPolarHBondContact O-CG 3.49Å; K454-E458 PolarHBondContact O-N 3.32Å; K454-E458 VanDerWaalsContact O-N 3.11Å; E458-K462 VanDerWaalsContact O-CB 3.28Å; E458-K462 WeakPolarHBondContact O-CB 3.41Å; E458-K462 WeakPolarHBondContact O-CG 3.24Å; E458-K462 PolarHBondContact O-N 2.76Å; E458-K462 IonicContact OE2-NZ 2.82Å; E458-V468 HydrophobicContact CB-CG1 4.17Å; E458-V468 HydrophobicContact CB-CG2 3.84Å; E458-V468 WeakPolarHBondContact O-CG2 3.17Å
459	A	89.8	Confident	90.5	Very high	3 Å²	3	56.9 Å²	56.9	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-77	-30.3	176	0	0	0	0	0	113	M441 I455 K456 A457 G463 D464 L465 V468	M441-A459 HydrophobicContact CE-CB 3.78Å; I455-A459 WeakPolarHBondContact O-CB 3.34Å; I455-A459 PolarHBondContact O-N 3.46Å; K456-A459 PolarHBondContact O-N 2.7Å; A457-A459 PolarHBondContact O-N 3.37Å; A459-G463 CarbonylContact O-C 3.6Å; A459-G463 VanDerWaalsContact O-CA 3.25Å; A459-G463 WeakPolarHBondContact O-CA 3.45Å; A459-G463 PolarHBondContact O-N 3.13Å; A459-G463 VanDerWaalsContact O-N 3.09Å; A459-D464 PolarHBondContact O-N 3.33Å; A459-L465 HydrophobicContact CB-CB 4.42Å; A459-L465 HydrophobicContact CB-CD1 3.93Å; A459-V468 HydrophobicContact CB-CG2 4.11Å
460	Q	86.6	Confident	90.7	Very high	89 Å²	89	54.9 Å²	54.9	42%	0.416	27%	0.268	S	S	.	.	H	α-helix	trans	-72.9	-46.6	171.5	-165.6	174.7	13	0	0	110.4	K456 A457 G463 L852 D919	K456-Q460 PolarHBondContact O-N 2.82Å; A457-Q460 PolarHBondContact O-N 3.02Å; A457-Q460 VanDerWaalsContact O-N 3.17Å; Q460-G463 PolarHBondContact O-N 3.07Å; Q460-L852 HydrophobicContact CG-CD1 4.01Å; Q460-D919 PolarHBondContact NE2-OD1 2.93Å
461	E	86.2	Confident	90.7	Very high	149 Å²	149	54.1 Å²	54.1	70%	0.696	27%	0.271	S	S	*	.	H	α-helix	trans	-58.3	-52.6	176.7	-176.2	-166.4	-179.9	0	0	112.6	A457 G463	A457-E461 WeakPolarHBondContact O-CB 3.28Å; A457-E461 PolarHBondContact O-N 2.98Å; E461-G463 VanDerWaalsContact C-N 3.29Å; E461-G463 PolarHBondContact O-N 3.22Å
462	K	88.1	Confident	90.5	Very high	65 Å²	65	46.6 Å²	46.6	28%	0.283	24%	0.237	S	C	.	.	S	Bend	trans	-80	-10.6	-179.5	-62.9	170.8	-175.4	165.5	0	113	E458 D464 L467 V468 S471	E458-K462 VanDerWaalsContact O-CB 3.28Å; E458-K462 WeakPolarHBondContact O-CB 3.41Å; E458-K462 WeakPolarHBondContact O-CG 3.24Å; E458-K462 PolarHBondContact O-N 2.76Å; E458-K462 IonicContact OE2-NZ 2.82Å; K462-D464 PolarHBondContact O-N 2.94Å; K462-L467 HydrophobicContact CD-CB 4.31Å; K462-V468 HydrophobicContact CD-CG2 4Å; K462-S471 PolarHBondContact NZ-OG 2.96Å
463	G	86.6	Confident	90.1	Very high	5 Å²	5	44.6 Å²	44.6	5%	0.052	22%	0.224	C	C	.	.	S	Bend	trans	59.8	8.1	-171.2	0	0	0	0	0	115.2	A459 Q460 E461 R537	A459-G463 CarbonylContact O-C 3.6Å; A459-G463 VanDerWaalsContact O-CA 3.25Å; A459-G463 WeakPolarHBondContact O-CA 3.45Å; A459-G463 PolarHBondContact O-N 3.13Å; A459-G463 VanDerWaalsContact O-N 3.09Å; Q460-G463 PolarHBondContact O-N 3.07Å; E461-G463 VanDerWaalsContact C-N 3.29Å; E461-G463 PolarHBondContact O-N 3.22Å; G463-R537 VanDerWaalsContact O-CZ 3.29Å; G463-R537 PolarHBondContact O-NH1 2.85Å; G463-R537 PolarHBondContact O-NH2 3.41Å
464	D	89.6	Confident	89.2	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.043	22%	0.224	C	C	.	.			trans	-149.1	108.4	-169.4	-159	-47.1	0	0	0	112.5	A459 K462 G466 L467 V468 R530 R537	A459-D464 PolarHBondContact O-N 3.33Å; K462-D464 PolarHBondContact O-N 2.94Å; D464-G466 PolarHBondContact O-N 2.93Å; D464-G466 WeakPolarHBondContact OD1-CA 3.41Å; D464-G466 PolarHBondContact OD1-N 3.02Å; D464-L467 HydrophobicContact CB-CB 4.43Å; D464-L467 HydrophobicContact CB-CD1 3.97Å; D464-L467 HydrophobicContact CB-CG 4.01Å; D464-L467 PolarHBondContact O-N 2.8Å; D464-V468 PolarHBondContact O-N 2.99Å; D464-R530 IonicContact OD1-NE 3.33Å; D464-R530 PolarHBondContact OD1-NE 3.06Å; D464-R530 IonicContact OD2-CZ 3.7Å; D464-R530 VanDerWaalsContact OD2-CZ 3.25Å; D464-R530 IonicContact OD2-NE 3.6Å; D464-R530 PolarHBondContact OD2-NE 2.84Å; D464-R530 IonicContact OD2-NH2 3.58Å; D464-R530 PolarHBondContact OD2-NH2 2.81Å; D464-R537 WeakPolarHBondContact OD2-CD 3.44Å; D464-R537 IonicContact OD2-CZ 2.95Å; D464-R537 IonicContact OD2-NE 3.68Å; D464-R537 IonicContact OD2-NH1 3.9Å; D464-R537 PolarHBondContact OD2-NH1 2.79Å
465	L	91.8	Very high	88.1	Confident	11 Å²	11	43.7 Å²	43.7	6%	0.058	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-22.2	177.5	-172.9	62	0	0	0	112.9	L440 M441 I455 A459 V468 A469 V529	L440-L465 HydrophobicContact CB-CD2 4.08Å; L440-L465 HydrophobicContact CD2-CD2 4.1Å; L440-L465 HydrophobicContact CG-CD2 3.8Å; M441-L465 HydrophobicContact CG-CD1 3.84Å; M441-L465 HydrophobicContact CG-CD2 3.74Å; M441-L465 HydrophobicContact CG-CG 4.46Å; I455-L465 HydrophobicContact CG2-CD1 3.68Å; A459-L465 HydrophobicContact CB-CB 4.42Å; A459-L465 HydrophobicContact CB-CD1 3.93Å; L465-V468 HydrophobicContact CD1-CB 4.3Å; L465-V468 PolarHBondContact O-N 2.89Å; L465-A469 WeakPolarHBondContact O-CB 3.35Å; L465-A469 PolarHBondContact O-N 2.81Å; L465-V529 HydrophobicContact CB-CG1 3.86Å; L465-V529 HydrophobicContact CD2-CG1 4Å; L465-V529 HydrophobicContact CG-CG1 3.74Å
466	G	93.1	Very high	87.1	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-67	-42.7	176.8	0	0	0	0	0	112.1	D464 V468 A469 E470	D464-G466 PolarHBondContact O-N 2.93Å; D464-G466 WeakPolarHBondContact OD1-CA 3.41Å; D464-G466 PolarHBondContact OD1-N 3.02Å; G466-V468 VanDerWaalsContact C-N 3.3Å; G466-V468 PolarHBondContact O-N 2.82Å; G466-A469 PolarHBondContact O-N 2.83Å; G466-E470 WeakPolarHBondContact O-CB 3.26Å; G466-E470 PolarHBondContact O-N 3.38Å
467	L	92.1	Very high	85.8	Confident	56 Å²	56	53.5 Å²	53.5	29%	0.293	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-34.6	174.2	-60.6	178.6	0	0	0	111.7	K462 D464 S471 R526	K462-L467 HydrophobicContact CD-CB 4.31Å; D464-L467 HydrophobicContact CB-CB 4.43Å; D464-L467 HydrophobicContact CB-CD1 3.97Å; D464-L467 HydrophobicContact CB-CG 4.01Å; D464-L467 PolarHBondContact O-N 2.8Å; L467-S471 WeakPolarHBondContact O-CB 3.44Å; L467-S471 PolarHBondContact O-N 3.26Å; L467-S471 VanDerWaalsContact O-N 3.09Å; L467-S471 PolarHBondContact O-OG 2.89Å; L467-R526 HydrophobicContact CD2-CG 4.13Å
468	V	93.3	Very high	84.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-46.1	173.2	-177.8	0	0	0	0	111.2	I455 E458 A459 K462 D464 L465 G466 S471 S472	I455-V468 HydrophobicContact CD1-CG1 3.75Å; I455-V468 HydrophobicContact CG2-CG1 4.29Å; E458-V468 HydrophobicContact CB-CG1 4.17Å; E458-V468 HydrophobicContact CB-CG2 3.84Å; E458-V468 WeakPolarHBondContact O-CG2 3.17Å; A459-V468 HydrophobicContact CB-CG2 4.11Å; K462-V468 HydrophobicContact CD-CG2 4Å; D464-V468 PolarHBondContact O-N 2.99Å; L465-V468 HydrophobicContact CD1-CB 4.3Å; L465-V468 PolarHBondContact O-N 2.89Å; G466-V468 VanDerWaalsContact C-N 3.3Å; G466-V468 PolarHBondContact O-N 2.82Å; V468-S471 PolarHBondContact O-OG 2.89Å; V468-S472 VanDerWaalsContact O-CB 3.24Å; V468-S472 WeakPolarHBondContact O-CB 3.28Å; V468-S472 PolarHBondContact O-N 2.9Å; V468-S472 PolarHBondContact O-OG 3.3Å
469	A	92.4	Very high	84.1	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-67.1	-44	-178.8	0	0	0	0	0	112.6	V444 L465 G466 S472 R473 F517 V529	V444-A469 HydrophobicContact CG1-CB 4.09Å; V444-A469 HydrophobicContact CG2-CB 4Å; L465-A469 WeakPolarHBondContact O-CB 3.35Å; L465-A469 PolarHBondContact O-N 2.81Å; G466-A469 PolarHBondContact O-N 2.83Å; A469-S472 CarbonylContact O-C 3.56Å; A469-S472 PolarHBondContact O-N 2.96Å; A469-R473 VanDerWaalsContact O-CG 3.25Å; A469-R473 WeakPolarHBondContact O-CG 3.44Å; A469-R473 PolarHBondContact O-N 2.99Å; A469-F517 HydrophobicContact CB-CE1 4.07Å; A469-F517 HydrophobicContact CB-CZ 4.43Å; A469-V529 HydrophobicContact CB-CG2 3.33Å
470	E	92.8	Very high	83.5	Confident	30 Å²	30	68.4 Å²	68.4	14%	0.14	33%	0.333	C	S	.	.	H	α-helix	trans	-58.8	-55.1	174.3	177.9	-176	-151.7	0	0	111.5	G466 S472 R473 S474 R526	G466-E470 WeakPolarHBondContact O-CB 3.26Å; G466-E470 PolarHBondContact O-N 3.38Å; E470-S472 PolarHBondContact O-N 3.01Å; E470-R473 WeakPolarHBondContact O-CB 3.27Å; E470-R473 PolarHBondContact O-N 2.96Å; E470-S474 PolarHBondContact O-N 2.56Å; E470-S474 PolarHBondContact O-OG 2.72Å; E470-R526 HydrophobicContact CB-CB 4.2Å; E470-R526 VanDerWaalsContact CD-NH2 3.34Å; E470-R526 IonicContact OE1-CZ 2.68Å; E470-R526 IonicContact OE1-NE 3.94Å; E470-R526 PolarHBondContact OE1-NE 2.88Å; E470-R526 IonicContact OE1-NH2 2.75Å; E470-R526 PolarHBondContact OE1-NH2 3.18Å; E470-R526 IonicContact OE2-CZ 3.89Å; E470-R526 IonicContact OE2-NE 3.18Å; E470-R526 PolarHBondContact OE2-NE 3.39Å; E470-R526 IonicContact OE2-NH2 2.71Å; E470-R526 PolarHBondContact OE2-NH2 3.18Å; E470-R526 VanDerWaalsContact OE2-NH2 3.1Å
471	S	89.9	Confident	82.8	Confident	39 Å²	39	70.3 Å²	70.3	27%	0.273	34%	0.342	S	S	.	.	H	α-helix	trans	-62.6	-25.1	177.6	54.7	0	0	0	0	113.2	K462 L467 V468 N475	K462-S471 PolarHBondContact NZ-OG 2.96Å; L467-S471 WeakPolarHBondContact O-CB 3.44Å; L467-S471 PolarHBondContact O-N 3.26Å; L467-S471 VanDerWaalsContact O-N 3.09Å; L467-S471 PolarHBondContact O-OG 2.89Å; V468-S471 PolarHBondContact O-OG 2.89Å; S471-N475 PolarHBondContact O-ND2 2.68Å; S471-N475 VanDerWaalsContact O-ND2 3.08Å
472	S	87.3	Confident	82.7	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-79.1	-26.8	171.8	-56	0	0	0	0	113.8	R450 V468 A469 E470	R450-S472 WeakPolarHBondContact CD-OG 3.27Å; R450-S472 PolarHBondContact NH1-OG 2.99Å; V468-S472 VanDerWaalsContact O-CB 3.24Å; V468-S472 WeakPolarHBondContact O-CB 3.28Å; V468-S472 PolarHBondContact O-N 2.9Å; V468-S472 PolarHBondContact O-OG 3.3Å; A469-S472 CarbonylContact O-C 3.56Å; A469-S472 PolarHBondContact O-N 2.96Å; E470-S472 PolarHBondContact O-N 3.01Å
473	R	83.1	Confident	82.7	Confident	24 Å²	24	66.3 Å²	66.3	9%	0.091	34%	0.343	C	S	.	.	H	α-helix	trans	-73.4	-46.6	175.2	-75	-87.6	75.1	87.1	-2.9	111.5	A447 A469 E470 N475 Q476 F517 A525	A447-R473 PolarHBondContact O-NH2 2.73Å; A469-R473 VanDerWaalsContact O-CG 3.25Å; A469-R473 WeakPolarHBondContact O-CG 3.44Å; A469-R473 PolarHBondContact O-N 2.99Å; E470-R473 WeakPolarHBondContact O-CB 3.27Å; E470-R473 PolarHBondContact O-N 2.96Å; R473-N475 PolarHBondContact O-N 2.94Å; R473-Q476 VanDerWaalsContact NH2-CD 3.28Å; R473-Q476 PolarHBondContact O-N 2.79Å; R473-F517 WeakPolarHBondContact CD-O 3.18Å; R473-A525 HydrophobicContact CG-CB 3.81Å
474	S	74.3	Confident	83	Confident	90 Å²	90	68.1 Å²	68.1	63%	0.629	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.8	179	-56.5	0	0	0	0	113.8	E470	E470-S474 PolarHBondContact O-N 2.56Å; E470-S474 PolarHBondContact O-OG 2.72Å
475	N	69.3	Low	83.3	Confident	136 Å²	136	68.7 Å²	68.7	73%	0.727	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.1	178.6	-69.8	-22.7	0	0	0	114.3	S471 R473	S471-N475 PolarHBondContact O-ND2 2.68Å; S471-N475 VanDerWaalsContact O-ND2 3.08Å; R473-N475 PolarHBondContact O-N 2.94Å
476	Q	70.8	Confident	83.6	Confident	79 Å²	79	70.4 Å²	70.4	37%	0.369	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-101.9	132	176	-76.4	-162.2	-12.5	0	0	112.1	T448 R473	T448-Q476 PolarHBondContact O-NE2 2.89Å; R473-Q476 VanDerWaalsContact NH2-CD 3.28Å; R473-Q476 PolarHBondContact O-N 2.79Å
477	R	64.2	Low	83.8	Confident	252 Å²	252	70.4 Å²	70.4	95%	0.951	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-100.7	123.7	166.6	-65.7	-175.7	177.4	-164.7	-1.3	109.6
478	T	69.8	Low	84.1	Confident	56 Å²	56	68.9 Å²	68.9	34%	0.344	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-92.9	143.5	169	48.8	0	0	0	0	110	F480 Q481	T478-F480 WeakPolarHBondContact CB-O 3.2Å; T478-F480 PolarHBondContact OG1-O 3.15Å; T478-Q481 PolarHBondContact OG1-NE2 3.28Å; T478-Q481 VanDerWaalsContact OG1-NE2 3.08Å; T478-Q481 PolarHBondContact OG1-OE1 2.64Å
479	M	74.4	Confident	84.3	Confident	174 Å²	174	70.3 Å²	70.3	86%	0.857	38%	0.381	S	S	*	.	S	Bend	trans	-71.8	-32.3	176.9	-175.5	-179.7	-73.4	0	0	112
480	F	78.3	Confident	84.6	Confident	169 Å²	169	70.3 Å²	70.3	74%	0.741	38%	0.381	S	S	*	.	S	Bend	trans	-127.2	135.1	172.9	-63.8	-82.2	0	0	0	109	T478	T478-F480 WeakPolarHBondContact CB-O 3.2Å; T478-F480 PolarHBondContact OG1-O 3.15Å
481	Q	72.4	Confident	84.8	Confident	130 Å²	130	70 Å²	70	61%	0.607	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-87.3	126.5	174.4	-67.8	-65.1	-12.1	0	0	109.6	T478	T478-Q481 PolarHBondContact OG1-NE2 3.28Å; T478-Q481 VanDerWaalsContact OG1-NE2 3.08Å; T478-Q481 PolarHBondContact OG1-OE1 2.64Å
482	P	83.6	Confident	85.1	Confident	46 Å²	46	75.2 Å²	75.2	30%	0.299	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-68.9	166.9	170.2	32.9	-37.7	0	0	0	111.1	V518 A519 R521	P482-V518 WeakPolarHBondContact CG-O 3.42Å; P482-A519 HydrophobicContact CB-CB 4.34Å; P482-A519 HydrophobicContact CG-CB 3.82Å; P482-R521 PolarHBondContact O-NH2 3.28Å
483	A	88.3	Confident	85.6	Confident	84 Å²	84	78.6 Å²	78.6	69%	0.694	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-56.6	148	176.5	0	0	0	0	0	112.2
484	S	91.8	Very high	86.2	Confident	42 Å²	42	77.7 Å²	77.7	29%	0.294	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-55.7	140.1	176	-53.9	0	0	0	0	110.6	E349 R521	E349-S484 PolarHBondContact OE2-OG 2.78Å; S484-R521 PolarHBondContact OG-NH1 3.37Å; S484-R521 PolarHBondContact OG-NH2 3.1Å
485	L	96.6	Very high	87.2	Confident	20 Å²	20	76 Å²	76	11%	0.105	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-68	145.7	171.2	-69.2	174.4	0	0	0	110.2	Y375 V490 L516 A519 I528	Y375-L485 HydrophobicContact CD1-CD1 4.49Å; Y375-L485 PolarHBondContact N-O 3.21Å; L485-V490 HydrophobicContact CB-CG2 3.99Å; L485-V490 HydrophobicContact CD1-CG2 4.22Å; L485-V490 HydrophobicContact CD2-CG2 4.2Å; L485-V490 HydrophobicContact CG-CG2 4.38Å; L485-L516 HydrophobicContact CD2-CD2 3.98Å; L485-A519 HydrophobicContact CD1-CB 4.37Å; L485-A519 HydrophobicContact CD2-CB 3.8Å; L485-A519 HydrophobicContact CG-CB 3.9Å; L485-I528 HydrophobicContact CD1-CD1 3.69Å
486	T	98.1	Very high	88.4	Confident	48 Å²	48	72.6 Å²	72.6	29%	0.294	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-117.5	150.6	174.2	58.2	0	0	0	0	110.3	K372 V373 G488 G489 V490	K372-T486 HydrophobicContact CB-CG2 4.01Å; V373-T486 CarbonylContact O-C 3.39Å; V373-T486 VanDerWaalsContact O-CA 3.27Å; V373-T486 WeakPolarHBondContact O-CA 3.5Å; T486-G488 PolarHBondContact O-N 2.96Å; T486-G489 PolarHBondContact O-N 3.09Å; T486-G489 PolarHBondContact OG1-N 3.41Å; T486-V490 WeakPolarHBondContact O-CG2 3.46Å; T486-V490 PolarHBondContact O-N 3.39Å
487	A	97.9	Very high	89.5	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-54.9	-50.3	-179.2	0	0	0	0	0	111.5	V373 V378 C415 L419 G489 V490 F491	V373-A487 HydrophobicContact CB-CB 4.16Å; V373-A487 HydrophobicContact CG1-CB 4.35Å; V373-A487 PolarHBondContact O-N 3.17Å; V378-A487 HydrophobicContact CG2-CB 4.07Å; C415-A487 VanDerWaalsContact SG-C 3.6Å; L419-A487 HydrophobicContact CD1-CB 3.94Å; A487-G489 VanDerWaalsContact C-N 3.32Å; A487-G489 PolarHBondContact O-N 3.01Å; A487-V490 PolarHBondContact O-N 2.67Å; A487-F491 VanDerWaalsContact O-CB 3.3Å; A487-F491 WeakPolarHBondContact O-CB 3.38Å; A487-F491 PolarHBondContact O-N 3.43Å
488	G	97.5	Very high	90.8	Very high	25 Å²	25	57.6 Å²	57.6	26%	0.258	31%	0.313	S	S	.	.	H	α-helix	trans	-63.4	-34.1	176.1	0	0	0	0	0	113.6	C415 T486 K492	C415-G488 VanDerWaalsContact SG-CA 3.52Å; C415-G488 PolarHBondContact SG-N 3.19Å; T486-G488 PolarHBondContact O-N 2.96Å; G488-K492 VanDerWaalsContact O-CB 3.22Å; G488-K492 WeakPolarHBondContact O-CB 3.26Å; G488-K492 PolarHBondContact O-N 3Å
489	G	97.6	Very high	91.8	Very high	30 Å²	30	59.2 Å²	59.2	31%	0.309	33%	0.327	S	S	.	.	H	α-helix	trans	-67.1	-47.6	175.7	0	0	0	0	0	112.9	T486 A487 K492 K493	T486-G489 PolarHBondContact O-N 3.09Å; T486-G489 PolarHBondContact OG1-N 3.41Å; A487-G489 VanDerWaalsContact C-N 3.32Å; A487-G489 PolarHBondContact O-N 3.01Å; G489-K492 PolarHBondContact O-N 2.93Å; G489-K493 PolarHBondContact O-N 2.85Å
490	V	97.8	Very high	92.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-47.8	176.1	174.9	0	0	0	0	110.3	Y375 L419 L485 T486 A487 K492 K493 L494 L516 I528	Y375-V490 HydrophobicContact CD1-CG2 4.09Å; Y375-V490 HydrophobicContact CD2-CB 4.05Å; Y375-V490 HydrophobicContact CD2-CG1 4.18Å; Y375-V490 HydrophobicContact CD2-CG2 3.96Å; Y375-V490 HydrophobicContact CE2-CB 4.39Å; Y375-V490 HydrophobicContact CE2-CG1 4.01Å; Y375-V490 HydrophobicContact CG-CB 4.34Å; Y375-V490 HydrophobicContact CG-CG2 3.72Å; L419-V490 HydrophobicContact CD2-CG1 4.36Å; L485-V490 HydrophobicContact CB-CG2 3.99Å; L485-V490 HydrophobicContact CD1-CG2 4.22Å; L485-V490 HydrophobicContact CD2-CG2 4.2Å; L485-V490 HydrophobicContact CG-CG2 4.38Å; T486-V490 WeakPolarHBondContact O-CG2 3.46Å; T486-V490 PolarHBondContact O-N 3.39Å; A487-V490 PolarHBondContact O-N 2.67Å; V490-K492 PolarHBondContact O-N 3.25Å; V490-K493 PolarHBondContact O-N 3.37Å; V490-K493 VanDerWaalsContact O-N 3.11Å; V490-L494 HydrophobicContact CG1-CD1 4.11Å; V490-L494 HydrophobicContact CG1-CG 4.39Å; V490-L494 WeakPolarHBondContact O-CG 3.13Å; V490-L494 PolarHBondContact O-N 2.95Å; V490-L516 HydrophobicContact CG2-CD2 4.3Å; V490-I528 HydrophobicContact CG1-CD1 4.38Å; V490-I528 HydrophobicContact CG1-CG1 4.19Å; V490-I528 HydrophobicContact CG2-CD1 4.34Å
491	F	97.6	Very high	93.1	Very high	22 Å²	22	50.5 Å²	50.5	10%	0.096	30%	0.299	C	S	.	.	H	α-helix	trans	-58.1	-45.2	177.4	-177	-118	0	0	0	112.3	C415 Y418 L419 L424 A487 K493 L494 K495	C415-F491 HydrophobicContact CB-CB 3.89Å; C415-F491 HydrophobicContact CB-CD1 3.48Å; C415-F491 VanDerWaalsContact CB-CD1 3.48Å; C415-F491 HydrophobicContact CB-CE1 4.12Å; C415-F491 HydrophobicContact CB-CG 3.77Å; Y418-F491 VanDerWaalsContact CB-CE2 3.41Å; Y418-F491 HydrophobicContact CD2-CE1 4.28Å; Y418-F491 HydrophobicContact CD2-CE2 4.12Å; Y418-F491 AromaticContact CD2-CZ 3.5Å; Y418-F491 HydrophobicContact CD2-CZ 3.5Å; Y418-F491 HydrophobicContact CE2-CZ 4.36Å; Y418-F491 AromaticContact CG-CE2 3.96Å; Y418-F491 HydrophobicContact CG-CE2 3.96Å; Y418-F491 AromaticContact CG-CZ 3.83Å; Y418-F491 HydrophobicContact CG-CZ 3.83Å; L419-F491 HydrophobicContact CD1-CB 4.39Å; L419-F491 HydrophobicContact CD2-CB 4.46Å; L419-F491 HydrophobicContact CG-CB 4.35Å; L419-F491 HydrophobicContact CG-CD2 4.44Å; L424-F491 HydrophobicContact CD2-CE2 4.33Å; A487-F491 VanDerWaalsContact O-CB 3.3Å; A487-F491 WeakPolarHBondContact O-CB 3.38Å; A487-F491 PolarHBondContact O-N 3.43Å; F491-K493 VanDerWaalsContact C-N 3.34Å; F491-K493 PolarHBondContact O-N 3.03Å; F491-L494 PolarHBondContact O-N 2.93Å; F491-K495 HydrophobicContact CD1-CD 4.3Å; F491-K495 HydrophobicContact CE1-CD 3.72Å; F491-K495 HydrophobicContact CE2-CD 4.22Å; F491-K495 HydrophobicContact CE2-CG 4.44Å; F491-K495 HydrophobicContact CZ-CD 3.68Å; F491-K495 HydrophobicContact CZ-CG 4.38Å; F491-K495 PolarHBondContact O-N 3.47Å
492	K	97.2	Very high	93.9	Very high	149 Å²	149	46.9 Å²	46.9	65%	0.648	30%	0.296	S	S	*	.	H	α-helix	trans	-59.1	-42.7	174.5	-177.3	173.6	-179.8	175.4	0	111.9	G488 G489 V490 K495 E496	G488-K492 VanDerWaalsContact O-CB 3.22Å; G488-K492 WeakPolarHBondContact O-CB 3.26Å; G488-K492 PolarHBondContact O-N 3Å; G489-K492 PolarHBondContact O-N 2.93Å; V490-K492 PolarHBondContact O-N 3.25Å; K492-K495 PolarHBondContact O-N 3.3Å; K492-E496 WeakPolarHBondContact O-CB 3.36Å; K492-E496 PolarHBondContact O-N 3.32Å
493	K	96.7	Very high	93.9	Very high	75 Å²	75	52.9 Å²	52.9	33%	0.326	33%	0.326	S	S	.	.	H	α-helix	trans	-69	-32.2	176.5	-75.2	-49.2	-162	-178.3	0	113.7	G489 V490 F491 E496 I497 I512 L516	G489-K493 PolarHBondContact O-N 2.85Å; V490-K493 PolarHBondContact O-N 3.37Å; V490-K493 VanDerWaalsContact O-N 3.11Å; F491-K493 VanDerWaalsContact C-N 3.34Å; F491-K493 PolarHBondContact O-N 3.03Å; K493-E496 HydrophobicContact CD-CB 4.49Å; K493-E496 VanDerWaalsContact CD-OE2 3.25Å; K493-E496 WeakPolarHBondContact CD-OE2 3.44Å; K493-E496 IonicContact NZ-OE1 3.8Å; K493-E496 PolarHBondContact NZ-OE1 3.49Å; K493-E496 IonicContact NZ-OE2 2.86Å; K493-E496 PolarHBondContact NZ-OE2 3.4Å; K493-E496 PolarHBondContact O-N 3.38Å; K493-I497 VanDerWaalsContact O-CG1 3.29Å; K493-I497 WeakPolarHBondContact O-CG1 3.34Å; K493-I497 PolarHBondContact O-N 2.75Å; K493-I512 HydrophobicContact CB-CG2 3.97Å; K493-I512 HydrophobicContact CD-CG2 3.84Å; K493-I512 HydrophobicContact CG-CG2 4.13Å; K493-L516 HydrophobicContact CB-CD1 4.08Å; K493-L516 HydrophobicContact CB-CD2 4.15Å; K493-L516 HydrophobicContact CB-CG 4.4Å; K493-L516 HydrophobicContact CG-CD2 4.27Å
494	L	95.8	Very high	93.7	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-67.7	-40.9	172	-66.4	173.3	0	0	0	111.8	L419 L424 L433 V490 F491 I497 A498 L532	L419-L494 HydrophobicContact CD2-CD1 3.9Å; L424-L494 HydrophobicContact CD2-CB 3.65Å; L433-L494 HydrophobicContact CD2-CB 4.23Å; L433-L494 HydrophobicContact CD2-CD2 4.06Å; L433-L494 WeakPolarHBondContact CD2-O 3.29Å; V490-L494 HydrophobicContact CG1-CD1 4.11Å; V490-L494 HydrophobicContact CG1-CG 4.39Å; V490-L494 WeakPolarHBondContact O-CG 3.13Å; V490-L494 PolarHBondContact O-N 2.95Å; F491-L494 PolarHBondContact O-N 2.93Å; L494-I497 PolarHBondContact O-N 3.37Å; L494-A498 PolarHBondContact O-N 2.8Å; L494-L532 HydrophobicContact CD2-CD2 3.63Å; L494-L532 HydrophobicContact CD2-CG 4.1Å
495	K	94.8	Very high	93.6	Very high	56 Å²	56	51.1 Å²	51.1	24%	0.243	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-36.6	172.5	-67	-172.2	76	143	0	112.6	L424 F491 K492 A498 S499	L424-K495 HydrophobicContact CB-CG 4.19Å; L424-K495 HydrophobicContact CD2-CG 4.34Å; L424-K495 WeakPolarHBondContact O-CD 3.35Å; L424-K495 WeakPolarHBondContact O-CE 3.49Å; L424-K495 PolarHBondContact O-NZ 2.77Å; F491-K495 HydrophobicContact CD1-CD 4.3Å; F491-K495 HydrophobicContact CE1-CD 3.72Å; F491-K495 HydrophobicContact CE2-CD 4.22Å; F491-K495 HydrophobicContact CE2-CG 4.44Å; F491-K495 HydrophobicContact CZ-CD 3.68Å; F491-K495 HydrophobicContact CZ-CG 4.38Å; F491-K495 PolarHBondContact O-N 3.47Å; K492-K495 PolarHBondContact O-N 3.3Å; K495-A498 PolarHBondContact O-N 2.7Å; K495-S499 WeakPolarHBondContact O-CB 3.24Å; K495-S499 PolarHBondContact O-N 3.47Å; K495-S499 PolarHBondContact O-OG 3.31Å
496	E	94.8	Very high	93.2	Very high	63 Å²	63	53.8 Å²	53.8	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-43.1	172.5	-169	-179.9	128.2	0	0	111.7	K492 K493 S499 M500 I512	K492-E496 WeakPolarHBondContact O-CB 3.36Å; K492-E496 PolarHBondContact O-N 3.32Å; K493-E496 HydrophobicContact CD-CB 4.49Å; K493-E496 VanDerWaalsContact CD-OE2 3.25Å; K493-E496 WeakPolarHBondContact CD-OE2 3.44Å; K493-E496 IonicContact NZ-OE1 3.8Å; K493-E496 PolarHBondContact NZ-OE1 3.49Å; K493-E496 IonicContact NZ-OE2 2.86Å; K493-E496 PolarHBondContact NZ-OE2 3.4Å; K493-E496 PolarHBondContact O-N 3.38Å; E496-S499 PolarHBondContact O-N 3.46Å; E496-M500 HydrophobicContact CG-CE 4.39Å; E496-M500 WeakPolarHBondContact O-CG 3.45Å; E496-M500 PolarHBondContact O-N 2.86Å; E496-I512 HydrophobicContact CG-CD1 4Å; E496-I512 VanDerWaalsContact OE1-CD1 3.23Å; E496-I512 WeakPolarHBondContact OE1-CD1 3.29Å
497	I	93.6	Very high	92.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.7	-43.3	174.1	-73.4	164	0	0	0	111.7	L433 V435 K493 L494 M500 K509 I512 I513 L532	L433-I497 HydrophobicContact CD2-CB 4.24Å; L433-I497 HydrophobicContact CD2-CG2 3.82Å; V435-I497 HydrophobicContact CG2-CG2 3.88Å; K493-I497 VanDerWaalsContact O-CG1 3.29Å; K493-I497 WeakPolarHBondContact O-CG1 3.34Å; K493-I497 PolarHBondContact O-N 2.75Å; L494-I497 PolarHBondContact O-N 3.37Å; I497-M500 PolarHBondContact O-N 2.86Å; I497-K509 HydrophobicContact CG2-CB 4.42Å; I497-K509 HydrophobicContact CG2-CD 4.04Å; I497-K509 HydrophobicContact CG2-CG 4.06Å; I497-K509 WeakPolarHBondContact O-CE 3.34Å; I497-K509 PolarHBondContact O-NZ 3.26Å; I497-I512 HydrophobicContact CD1-CB 4.21Å; I497-I512 HydrophobicContact CD1-CG2 3.76Å; I497-I512 HydrophobicContact CG1-CB 4.09Å; I497-I512 HydrophobicContact CG1-CD1 4.08Å; I497-I512 HydrophobicContact CG1-CG2 3.9Å; I497-I513 HydrophobicContact CD1-CD1 4.35Å; I497-I513 HydrophobicContact CD1-CG1 3.67Å; I497-L532 HydrophobicContact CD1-CD2 4.02Å
498	A	92.2	Very high	92.5	Very high	17 Å²	17	62.2 Å²	62.2	14%	0.14	36%	0.359	C	S	.	.	H	α-helix	trans	-66.1	-41	178.6	0	0	0	0	0	112.6	L424 E432 L494 K495 M500	L424-A498 HydrophobicContact CD1-CB 3.48Å; L424-A498 VanDerWaalsContact CD1-CB 3.48Å; E432-A498 VanDerWaalsContact O-CA 3.29Å; E432-A498 WeakPolarHBondContact O-CA 3.25Å; E432-A498 VanDerWaalsContact O-CB 3.29Å; E432-A498 WeakPolarHBondContact O-CB 3.35Å; L494-A498 PolarHBondContact O-N 2.8Å; K495-A498 PolarHBondContact O-N 2.7Å; A498-M500 PolarHBondContact O-N 3.05Å
499	S	91.6	Very high	92.2	Very high	90 Å²	90	61.6 Å²	61.6	63%	0.629	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-7.7	-178.4	-52	0	0	0	0	114.3	K495 E496	K495-S499 WeakPolarHBondContact O-CB 3.24Å; K495-S499 PolarHBondContact O-N 3.47Å; K495-S499 PolarHBondContact O-OG 3.31Å; E496-S499 PolarHBondContact O-N 3.46Å
500	M	91.3	Very high	91.9	Very high	48 Å²	48	60.6 Å²	60.6	24%	0.236	34%	0.337	C	S	.	.			trans	-85.9	119.1	-178.1	-84.1	-174.4	177.9	0	0	113.1	E496 I497 A498 A505 K508 K509 I512	E496-M500 HydrophobicContact CG-CE 4.39Å; E496-M500 WeakPolarHBondContact O-CG 3.45Å; E496-M500 PolarHBondContact O-N 2.86Å; I497-M500 PolarHBondContact O-N 2.86Å; A498-M500 PolarHBondContact O-N 3.05Å; M500-A505 HydrophobicContact CB-CB 4.13Å; M500-K508 HydrophobicContact CE-CB 3.89Å; M500-K508 HydrophobicContact CE-CD 4.22Å; M500-K508 HydrophobicContact SD-CB 3.55Å; M500-K508 VanDerWaalsContact SD-CB 3.55Å; M500-K508 HydrophobicContact SD-CD 4.45Å; M500-K509 HydrophobicContact CB-CG 4.22Å; M500-K509 WeakPolarHBondContact O-CE 3.37Å; M500-K509 PolarHBondContact O-NZ 3.18Å; M500-K509 HydrophobicContact SD-CG 4.24Å; M500-I512 HydrophobicContact CE-CD1 3.62Å; M500-I512 HydrophobicContact SD-CD1 3.93Å
501	S	88.3	Confident	91.6	Very high	112 Å²	112	64.6 Å²	64.6	78%	0.783	36%	0.358	S	S	*	.			trans	-128.7	168.9	175.8	64.8	0	0	0	0	112.8
502	G	88.3	Confident	91.4	Very high	53 Å²	53	64.5 Å²	64.5	55%	0.546	36%	0.359	S	S	.	.	S	Bend	trans	87.8	170.5	179.3	0	0	0	0	0	115.4	S504 A505	G502-S504 VanDerWaalsContact C-N 3.26Å; G502-S504 PolarHBondContact O-N 2.9Å; G502-A505 WeakPolarHBondContact O-CB 3.42Å; G502-A505 PolarHBondContact O-N 2.96Å
503	N	83.4	Confident	91.2	Very high	173 Å²	173	57.4 Å²	57.4	93%	0.925	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.3	-161.9	-62.8	8.1	0	0	0	115.8
504	S	85.7	Confident	90.9	Very high	80 Å²	80	56.5 Å²	56.5	56%	0.559	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-0	178.7	-48.1	0	0	0	0	114.2	G502 M506 K508	G502-S504 VanDerWaalsContact C-N 3.26Å; G502-S504 PolarHBondContact O-N 2.9Å; S504-M506 PolarHBondContact O-N 2.88Å; S504-K508 PolarHBondContact O-N 3.18Å
505	A	88.4	Confident	90.6	Very high	9 Å²	9	58.5 Å²	58.5	7%	0.074	35%	0.346	C	S	.	.	H	α-helix	trans	-60	-44.2	-175.4	0	0	0	0	0	112.6	M500 G502 N507 K508 K509	M500-A505 HydrophobicContact CB-CB 4.13Å; G502-A505 WeakPolarHBondContact O-CB 3.42Å; G502-A505 PolarHBondContact O-N 2.96Å; A505-N507 VanDerWaalsContact C-N 3.31Å; A505-N507 PolarHBondContact O-N 3.13Å; A505-K508 CarbonylContact O-C 3.55Å; A505-K508 PolarHBondContact O-N 3.14Å; A505-K508 VanDerWaalsContact O-N 3.08Å; A505-K509 WeakPolarHBondContact O-CG 3.31Å; A505-K509 PolarHBondContact O-N 3.27Å
506	M	88.8	Confident	90.5	Very high	76 Å²	76	56.3 Å²	56.3	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-61.5	-37	-173.3	-62.3	-57.1	-79.2	0	0	113.1	V439 S504 K509 I510	V439-M506 HydrophobicContact CB-CE 4.46Å; V439-M506 HydrophobicContact CG1-CE 4.01Å; V439-M506 HydrophobicContact CG2-CE 3.82Å; S504-M506 PolarHBondContact O-N 2.88Å; M506-K509 HydrophobicContact SD-CD 4.19Å; M506-I510 WeakPolarHBondContact O-CD1 3.48Å; M506-I510 VanDerWaalsContact O-CG1 3.28Å; M506-I510 WeakPolarHBondContact O-CG1 3.21Å; M506-I510 PolarHBondContact O-N 2.7Å
507	N	89.5	Confident	90.3	Very high	102 Å²	102	53.3 Å²	53.3	55%	0.545	32%	0.322	S	S	.	.	H	α-helix	trans	-68	-44.9	174.4	-69.6	-14.5	0	0	0	111	A505 K509 I510 D511	A505-N507 VanDerWaalsContact C-N 3.31Å; A505-N507 PolarHBondContact O-N 3.13Å; N507-K509 VanDerWaalsContact C-N 3.34Å; N507-K509 PolarHBondContact O-N 2.81Å; N507-I510 WeakPolarHBondContact O-CB 3.02Å; N507-I510 PolarHBondContact O-N 2.81Å; N507-I510 VanDerWaalsContact O-N 3.13Å; N507-D511 PolarHBondContact O-N 2.94Å
508	K	91.8	Very high	89.9	Confident	122 Å²	122	56.9 Å²	56.9	53%	0.53	34%	0.344	S	S	.	.	H	α-helix	trans	-60.7	-40.4	175.8	-64.1	-179.5	179.6	-177.4	0	112.4	M500 S504 A505 D511 I512	M500-K508 HydrophobicContact CE-CB 3.89Å; M500-K508 HydrophobicContact CE-CD 4.22Å; M500-K508 HydrophobicContact SD-CB 3.55Å; M500-K508 VanDerWaalsContact SD-CB 3.55Å; M500-K508 HydrophobicContact SD-CD 4.45Å; S504-K508 PolarHBondContact O-N 3.18Å; A505-K508 CarbonylContact O-C 3.55Å; A505-K508 PolarHBondContact O-N 3.14Å; A505-K508 VanDerWaalsContact O-N 3.08Å; K508-D511 PolarHBondContact O-N 3.45Å; K508-I512 WeakPolarHBondContact O-CG1 3.5Å; K508-I512 PolarHBondContact O-N 2.89Å
509	K	92.1	Very high	89.8	Confident	12 Å²	12	56.6 Å²	56.6	5%	0.052	34%	0.341	C	S	.	.	H	α-helix	trans	-59.1	-48.1	172.3	-68.1	-175.3	-171.9	-151.4	0	110.8	L433 V435 I497 M500 A505 M506 N507 D511 I512 I513	L433-K509 PolarHBondContact O-NZ 2.84Å; V435-K509 HydrophobicContact CG2-CD 4.36Å; I497-K509 HydrophobicContact CG2-CB 4.42Å; I497-K509 HydrophobicContact CG2-CD 4.04Å; I497-K509 HydrophobicContact CG2-CG 4.06Å; I497-K509 WeakPolarHBondContact O-CE 3.34Å; I497-K509 PolarHBondContact O-NZ 3.26Å; M500-K509 HydrophobicContact CB-CG 4.22Å; M500-K509 WeakPolarHBondContact O-CE 3.37Å; M500-K509 PolarHBondContact O-NZ 3.18Å; M500-K509 HydrophobicContact SD-CG 4.24Å; A505-K509 WeakPolarHBondContact O-CG 3.31Å; A505-K509 PolarHBondContact O-N 3.27Å; M506-K509 HydrophobicContact SD-CD 4.19Å; N507-K509 VanDerWaalsContact C-N 3.34Å; N507-K509 PolarHBondContact O-N 2.81Å; K509-D511 VanDerWaalsContact C-N 3.31Å; K509-D511 PolarHBondContact O-N 2.78Å; K509-I512 PolarHBondContact O-N 3.21Å; K509-I513 WeakPolarHBondContact O-CB 3.04Å; K509-I513 WeakPolarHBondContact O-CD1 3.16Å; K509-I513 WeakPolarHBondContact O-CG1 3.44Å; K509-I513 PolarHBondContact O-N 2.69Å
510	I	91	Very high	89.9	Confident	9 Å²	9	53 Å²	53	5%	0.046	32%	0.317	C	S	.	.	H	α-helix	trans	-58.1	-42.1	176.2	-71.5	164.1	0	0	0	111.3	V439 K442 A443 M506 N507 I513 K514	V439-I510 HydrophobicContact CG1-CD1 4.07Å; V439-I510 HydrophobicContact CG1-CG1 3.92Å; K442-I510 HydrophobicContact CD-CD1 4.38Å; A443-I510 HydrophobicContact CB-CG1 4.47Å; A443-I510 HydrophobicContact CB-CG2 4.22Å; M506-I510 WeakPolarHBondContact O-CD1 3.48Å; M506-I510 VanDerWaalsContact O-CG1 3.28Å; M506-I510 WeakPolarHBondContact O-CG1 3.21Å; M506-I510 PolarHBondContact O-N 2.7Å; N507-I510 WeakPolarHBondContact O-CB 3.02Å; N507-I510 PolarHBondContact O-N 2.81Å; N507-I510 VanDerWaalsContact O-N 3.13Å; I510-I513 PolarHBondContact O-N 2.69Å; I510-K514 HydrophobicContact CG2-CD 3.61Å; I510-K514 HydrophobicContact CG2-CG 4.42Å; I510-K514 WeakPolarHBondContact O-CB 3.12Å; I510-K514 WeakPolarHBondContact O-CD 3.4Å; I510-K514 WeakPolarHBondContact O-CG 3.29Å; I510-K514 PolarHBondContact O-N 2.76Å
511	D	91.5	Very high	89.7	Confident	85 Å²	85	53.8 Å²	53.8	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-70	-37.5	-179.9	-70	-39.8	0	0	0	113.4	N507 K508 K509 K514 G515	N507-D511 PolarHBondContact O-N 2.94Å; K508-D511 PolarHBondContact O-N 3.45Å; K509-D511 VanDerWaalsContact C-N 3.31Å; K509-D511 PolarHBondContact O-N 2.78Å; D511-K514 PolarHBondContact O-N 3.04Å; D511-K514 WeakPolarHBondContact OD1-CE 3.48Å; D511-K514 IonicContact OD1-NZ 3.59Å; D511-K514 PolarHBondContact OD1-NZ 2.92Å; D511-G515 PolarHBondContact O-N 3.08Å
512	I	93.2	Very high	89.8	Confident	20 Å²	20	53.4 Å²	53.4	10%	0.103	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-44.5	170.4	-63	163.1	0	0	0	110.3	K493 E496 I497 M500 K508 K509 K514 G515 L516	K493-I512 HydrophobicContact CB-CG2 3.97Å; K493-I512 HydrophobicContact CD-CG2 3.84Å; K493-I512 HydrophobicContact CG-CG2 4.13Å; E496-I512 HydrophobicContact CG-CD1 4Å; E496-I512 VanDerWaalsContact OE1-CD1 3.23Å; E496-I512 WeakPolarHBondContact OE1-CD1 3.29Å; I497-I512 HydrophobicContact CD1-CB 4.21Å; I497-I512 HydrophobicContact CD1-CG2 3.76Å; I497-I512 HydrophobicContact CG1-CB 4.09Å; I497-I512 HydrophobicContact CG1-CD1 4.08Å; I497-I512 HydrophobicContact CG1-CG2 3.9Å; M500-I512 HydrophobicContact CE-CD1 3.62Å; M500-I512 HydrophobicContact SD-CD1 3.93Å; K508-I512 WeakPolarHBondContact O-CG1 3.5Å; K508-I512 PolarHBondContact O-N 2.89Å; K509-I512 PolarHBondContact O-N 3.21Å; I512-K514 VanDerWaalsContact C-N 3.35Å; I512-K514 PolarHBondContact O-N 3.41Å; I512-G515 PolarHBondContact O-N 3.11Å; I512-G515 VanDerWaalsContact O-N 3.17Å; I512-L516 HydrophobicContact CG2-CD1 4.46Å; I512-L516 PolarHBondContact O-N 3.26Å
513	I	92.5	Very high	90	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-41.8	178.6	-68.4	165.9	0	0	0	110.9	V435 L440 A443 I497 K509 I510 L516 F517 L532	V435-I513 HydrophobicContact CG1-CD1 4.13Å; V435-I513 HydrophobicContact CG2-CD1 4.14Å; L440-I513 HydrophobicContact CD1-CG2 4.24Å; A443-I513 HydrophobicContact CB-CB 4.3Å; A443-I513 HydrophobicContact CB-CG2 3.67Å; I497-I513 HydrophobicContact CD1-CD1 4.35Å; I497-I513 HydrophobicContact CD1-CG1 3.67Å; K509-I513 WeakPolarHBondContact O-CB 3.04Å; K509-I513 WeakPolarHBondContact O-CD1 3.16Å; K509-I513 WeakPolarHBondContact O-CG1 3.44Å; K509-I513 PolarHBondContact O-N 2.69Å; I510-I513 PolarHBondContact O-N 2.69Å; I513-L516 PolarHBondContact O-N 3.03Å; I513-F517 HydrophobicContact CG2-CD2 3.64Å; I513-F517 HydrophobicContact CG2-CE2 3.33Å; I513-F517 HydrophobicContact CG2-CZ 4.28Å; I513-F517 WeakPolarHBondContact O-CB 3.25Å; I513-F517 WeakPolarHBondContact O-CD2 3.18Å; I513-F517 WeakPolarHBondContact O-CG 3.44Å; I513-F517 PolarHBondContact O-N 3.09Å; I513-L532 HydrophobicContact CB-CD1 4.38Å; I513-L532 HydrophobicContact CD1-CD1 4.14Å; I513-L532 HydrophobicContact CD1-CD2 4.01Å; I513-L532 HydrophobicContact CG1-CD1 3.78Å; I513-L532 HydrophobicContact CG1-CD2 4Å; I513-L532 HydrophobicContact CG2-CD1 3.8Å
514	K	90.4	Very high	90.6	Very high	56 Å²	56	42.8 Å²	42.8	24%	0.243	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-43.4	172.3	-75.9	154.9	60.1	-172.9	0	111.9	Q446 A447 I510 D511 I512 F517 V518	Q446-K514 HydrophobicContact CB-CD 4.17Å; A447-K514 HydrophobicContact CB-CG 4.11Å; I510-K514 HydrophobicContact CG2-CD 3.61Å; I510-K514 HydrophobicContact CG2-CG 4.42Å; I510-K514 WeakPolarHBondContact O-CB 3.12Å; I510-K514 WeakPolarHBondContact O-CD 3.4Å; I510-K514 WeakPolarHBondContact O-CG 3.29Å; I510-K514 PolarHBondContact O-N 2.76Å; D511-K514 PolarHBondContact O-N 3.04Å; D511-K514 WeakPolarHBondContact OD1-CE 3.48Å; D511-K514 IonicContact OD1-NZ 3.59Å; D511-K514 PolarHBondContact OD1-NZ 2.92Å; I512-K514 VanDerWaalsContact C-N 3.35Å; I512-K514 PolarHBondContact O-N 3.41Å; K514-F517 PolarHBondContact O-N 3.37Å; K514-V518 WeakPolarHBondContact O-CG2 2.98Å; K514-V518 PolarHBondContact O-N 2.81Å
515	G	89.8	Confident	91.1	Very high	46 Å²	46	39 Å²	39	47%	0.474	21%	0.205	S	C	.	.	H	α-helix	trans	-60.1	-45.1	176.6	0	0	0	0	0	112.8	D511 I512	D511-G515 PolarHBondContact O-N 3.08Å; I512-G515 PolarHBondContact O-N 3.11Å; I512-G515 VanDerWaalsContact O-N 3.17Å
516	L	92.8	Very high	91.4	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-48.4	171.6	-70.8	172.7	0	0	0	111.1	L485 V490 K493 I512 I513 V518 A519 C520	L485-L516 HydrophobicContact CD2-CD2 3.98Å; V490-L516 HydrophobicContact CG2-CD2 4.3Å; K493-L516 HydrophobicContact CB-CD1 4.08Å; K493-L516 HydrophobicContact CB-CD2 4.15Å; K493-L516 HydrophobicContact CB-CG 4.4Å; K493-L516 HydrophobicContact CG-CD2 4.27Å; I512-L516 HydrophobicContact CG2-CD1 4.46Å; I512-L516 PolarHBondContact O-N 3.26Å; I513-L516 PolarHBondContact O-N 3.03Å; L516-V518 VanDerWaalsContact C-N 3.34Å; L516-V518 PolarHBondContact O-N 2.81Å; L516-A519 PolarHBondContact O-N 3.09Å; L516-C520 PolarHBondContact O-N 3.22Å; L516-C520 VanDerWaalsContact O-N 3.1Å; L516-C520 PolarHBondContact O-SG 3.03Å
517	F	89.4	Confident	91.8	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-37.1	-179.4	-85.1	-48.1	0	0	0	114.6	V444 A447 A469 R473 I513 K514 A519 C520 A525 V529	V444-F517 HydrophobicContact CG2-CE1 4.38Å; V444-F517 HydrophobicContact CG2-CE2 3.66Å; V444-F517 HydrophobicContact CG2-CZ 3.48Å; V444-F517 VanDerWaalsContact CG2-CZ 3.48Å; A447-F517 HydrophobicContact CB-CB 3.91Å; A447-F517 HydrophobicContact CB-CD2 3.96Å; A447-F517 HydrophobicContact CB-CG 4.24Å; A469-F517 HydrophobicContact CB-CE1 4.07Å; A469-F517 HydrophobicContact CB-CZ 4.43Å; R473-F517 WeakPolarHBondContact CD-O 3.18Å; I513-F517 HydrophobicContact CG2-CD2 3.64Å; I513-F517 HydrophobicContact CG2-CE2 3.33Å; I513-F517 HydrophobicContact CG2-CZ 4.28Å; I513-F517 WeakPolarHBondContact O-CB 3.25Å; I513-F517 WeakPolarHBondContact O-CD2 3.18Å; I513-F517 WeakPolarHBondContact O-CG 3.44Å; I513-F517 PolarHBondContact O-N 3.09Å; K514-F517 PolarHBondContact O-N 3.37Å; F517-A519 PolarHBondContact O-N 3.12Å; F517-C520 PolarHBondContact O-N 3.41Å; F517-A525 HydrophobicContact CD1-CB 4.49Å; F517-V529 HydrophobicContact CE1-CG2 3.44Å; F517-V529 VanDerWaalsContact CE1-CG2 3.44Å; F517-V529 HydrophobicContact CZ-CG2 3.4Å
518	V	86.6	Confident	92.1	Very high	74 Å²	74	32 Å²	32	45%	0.448	17%	0.165	S	C	.	.	H	α-helix	trans	-68.5	-22.6	178	170.6	0	0	0	0	111.6	P482 K514 L516	P482-V518 WeakPolarHBondContact CG-O 3.42Å; K514-V518 WeakPolarHBondContact O-CG2 2.98Å; K514-V518 PolarHBondContact O-N 2.81Å; L516-V518 VanDerWaalsContact C-N 3.34Å; L516-V518 PolarHBondContact O-N 2.81Å
519	A	90.1	Very high	92.2	Very high	11 Å²	11	26.2 Å²	26.2	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-95.2	-12.3	176.7	0	0	0	0	0	115.2	P482 L485 L516 F517 R521	P482-A519 HydrophobicContact CB-CB 4.34Å; P482-A519 HydrophobicContact CG-CB 3.82Å; L485-A519 HydrophobicContact CD1-CB 4.37Å; L485-A519 HydrophobicContact CD2-CB 3.8Å; L485-A519 HydrophobicContact CG-CB 3.9Å; L516-A519 PolarHBondContact O-N 3.09Å; F517-A519 PolarHBondContact O-N 3.12Å; A519-R521 PolarHBondContact O-N 2.88Å
520	C	92.2	Very high	92.3	Very high	16 Å²	16	26 Å²	26	11%	0.108	14%	0.139	C	C	.	.			trans	-60.7	128.9	177.1	-70.9	0	0	0	0	113.4	L516 F517 E524 A525 I528	L516-C520 PolarHBondContact O-N 3.22Å; L516-C520 VanDerWaalsContact O-N 3.1Å; L516-C520 PolarHBondContact O-SG 3.03Å; F517-C520 PolarHBondContact O-N 3.41Å; C520-E524 WeakPolarHBondContact CA-OE2 3.46Å; C520-E524 HydrophobicContact CB-CB 4.18Å; C520-A525 HydrophobicContact CB-CB 3.86Å; C520-I528 VanDerWaalsContact SG-CD1 3.56Å
521	R	88.5	Confident	92.4	Very high	64 Å²	64	25.6 Å²	25.6	24%	0.242	14%	0.137	C	C	.	.			trans	-113.6	147.6	170.2	-54.8	-179.1	-173.3	163.8	5.6	110.2	E349 P482 S484 A519 S523 E524	E349-R521 IonicContact OE2-NH1 2.73Å; P482-R521 PolarHBondContact O-NH2 3.28Å; S484-R521 PolarHBondContact OG-NH1 3.37Å; S484-R521 PolarHBondContact OG-NH2 3.1Å; A519-R521 PolarHBondContact O-N 2.88Å; R521-S523 PolarHBondContact O-N 3.2Å; R521-E524 PolarHBondContact N-OE2 3.06Å; R521-E524 WeakPolarHBondContact O-CB 3.17Å; R521-E524 VanDerWaalsContact O-CG 3.28Å; R521-E524 WeakPolarHBondContact O-CG 3.41Å; R521-E524 PolarHBondContact O-N 2.9Å; R521-E524 VanDerWaalsContact O-N 3.08Å
522	F	89.7	Confident	92.6	Very high	103 Å²	103	21.7 Å²	21.7	45%	0.452	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	-124.8	178.6	-48.3	-80.1	0	0	0	112.3	T350 L376 E524	T350-F522 HydrophobicContact CG2-CE2 3.93Å; T350-F522 HydrophobicContact CG2-CZ 3.64Å; L376-F522 HydrophobicContact CD1-CB 4.04Å; L376-F522 HydrophobicContact CD1-CD2 3.89Å; L376-F522 HydrophobicContact CD1-CG 4.39Å; L376-F522 HydrophobicContact CD2-CD2 3.69Å; L376-F522 HydrophobicContact CD2-CE2 3.99Å; L376-F522 HydrophobicContact CG-CD2 4.48Å; F522-E524 PolarHBondContact O-N 3.44Å
523	S	93.4	Very high	92.4	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8	-176.6	59.7	0	0	0	0	114.9	E383 R521 A525 R526 Y527	E383-S523 VanDerWaalsContact CD-CB 3.43Å; E383-S523 VanDerWaalsContact CD-OG 3.26Å; E383-S523 VanDerWaalsContact OE1-CB 3.27Å; E383-S523 WeakPolarHBondContact OE1-CB 3.44Å; E383-S523 PolarHBondContact OE1-OG 3.34Å; R521-S523 PolarHBondContact O-N 3.2Å; S523-A525 PolarHBondContact O-N 3.07Å; S523-A525 VanDerWaalsContact O-N 3.13Å; S523-R526 VanDerWaalsContact O-CB 3.26Å; S523-R526 WeakPolarHBondContact O-CB 3.45Å; S523-R526 PolarHBondContact O-N 3.47Å; S523-Y527 WeakPolarHBondContact O-CD2 3.5Å; S523-Y527 PolarHBondContact O-N 2.87Å
524	E	95.7	Very high	92.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	15%	0.152	C	C	.	.	H	α-helix	trans	-54.4	-37.9	-178.2	-68.8	-176.4	134.8	0	0	112.2	Y375 L376 A379 C520 R521 F522 R526 Y527 I528	Y375-E524 HydrophobicContact CD1-CB 3.87Å; Y375-E524 HydrophobicContact CD1-CG 3.67Å; Y375-E524 HydrophobicContact CE1-CB 3.94Å; Y375-E524 HydrophobicContact CE1-CG 4.15Å; L376-E524 WeakPolarHBondContact CA-OE1 3.32Å; L376-E524 HydrophobicContact CB-CG 4.14Å; L376-E524 HydrophobicContact CD1-CG 4.11Å; L376-E524 PolarHBondContact N-OE1 3.46Å; A379-E524 HydrophobicContact CB-CG 4.11Å; C520-E524 WeakPolarHBondContact CA-OE2 3.46Å; C520-E524 HydrophobicContact CB-CB 4.18Å; R521-E524 PolarHBondContact N-OE2 3.06Å; R521-E524 WeakPolarHBondContact O-CB 3.17Å; R521-E524 VanDerWaalsContact O-CG 3.28Å; R521-E524 WeakPolarHBondContact O-CG 3.41Å; R521-E524 PolarHBondContact O-N 2.9Å; R521-E524 VanDerWaalsContact O-N 3.08Å; F522-E524 PolarHBondContact O-N 3.44Å; E524-R526 VanDerWaalsContact C-N 3.35Å; E524-R526 PolarHBondContact O-N 2.75Å; E524-Y527 PolarHBondContact O-N 3.19Å; E524-I528 WeakPolarHBondContact O-CB 3.35Å; E524-I528 WeakPolarHBondContact O-CG1 3.32Å; E524-I528 PolarHBondContact O-N 3.37Å
525	A	94.9	Very high	92	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.7	-40.2	176.6	0	0	0	0	0	112.5	R473 F517 C520 S523 Y527 V529	R473-A525 HydrophobicContact CG-CB 3.81Å; F517-A525 HydrophobicContact CD1-CB 4.49Å; C520-A525 HydrophobicContact CB-CB 3.86Å; S523-A525 PolarHBondContact O-N 3.07Å; S523-A525 VanDerWaalsContact O-N 3.13Å; A525-Y527 VanDerWaalsContact C-N 3.34Å; A525-Y527 PolarHBondContact O-N 3.42Å; A525-V529 WeakPolarHBondContact O-CG2 3.43Å; A525-V529 PolarHBondContact O-N 2.99Å; A525-V529 VanDerWaalsContact O-N 3.1Å
526	R	95.4	Very high	92	Very high	39 Å²	39	27.5 Å²	27.5	15%	0.147	15%	0.15	C	C	.	.	H	α-helix	trans	-57.7	-49.7	179.4	-168.4	-163.4	-60.1	169.9	7.5	110.2	E386 L467 E470 S523 E524 R530	E386-R526 IonicContact OE2-NH1 2.78Å; E386-R526 PolarHBondContact OE2-NH1 3.21Å; L467-R526 HydrophobicContact CD2-CG 4.13Å; E470-R526 HydrophobicContact CB-CB 4.2Å; E470-R526 VanDerWaalsContact CD-NH2 3.34Å; E470-R526 IonicContact OE1-CZ 2.68Å; E470-R526 IonicContact OE1-NE 3.94Å; E470-R526 PolarHBondContact OE1-NE 2.88Å; E470-R526 IonicContact OE1-NH2 2.75Å; E470-R526 PolarHBondContact OE1-NH2 3.18Å; E470-R526 IonicContact OE2-CZ 3.89Å; E470-R526 IonicContact OE2-NE 3.18Å; E470-R526 PolarHBondContact OE2-NE 3.39Å; E470-R526 IonicContact OE2-NH2 2.71Å; E470-R526 PolarHBondContact OE2-NH2 3.18Å; E470-R526 VanDerWaalsContact OE2-NH2 3.1Å; S523-R526 VanDerWaalsContact O-CB 3.26Å; S523-R526 WeakPolarHBondContact O-CB 3.45Å; S523-R526 PolarHBondContact O-N 3.47Å; E524-R526 VanDerWaalsContact C-N 3.35Å; E524-R526 PolarHBondContact O-N 2.75Å; R526-R530 WeakPolarHBondContact O-CB 3.38Å; R526-R530 VanDerWaalsContact O-CG 3.28Å; R526-R530 WeakPolarHBondContact O-CG 3.31Å; R526-R530 PolarHBondContact O-N 2.77Å; R526-R530 VanDerWaalsContact O-N 3.11Å
527	Y	96.4	Very high	91.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-79.9	-33.1	-174.8	-58.9	-71.2	0	0	0	113	A379 F382 E383 E386 S523 E524 A525 V529 R530 S531 L536 I538	A379-Y527 HydrophobicContact CB-CD2 3.9Å; A379-Y527 HydrophobicContact CB-CE2 4.5Å; A379-Y527 WeakPolarHBondContact O-CE2 3.12Å; F382-Y527 HydrophobicContact CB-CD1 3.76Å; F382-Y527 HydrophobicContact CB-CD2 4.09Å; F382-Y527 HydrophobicContact CB-CE1 3.58Å; F382-Y527 HydrophobicContact CB-CE2 3.91Å; F382-Y527 HydrophobicContact CB-CG 4.03Å; F382-Y527 AromaticContact CD2-CD1 3.8Å; F382-Y527 HydrophobicContact CD2-CD1 3.8Å; F382-Y527 HydrophobicContact CD2-CD2 4.26Å; F382-Y527 HydrophobicContact CD2-CE1 4.5Å; F382-Y527 AromaticContact CD2-CG 3.68Å; F382-Y527 HydrophobicContact CD2-CG 3.68Å; F382-Y527 HydrophobicContact CG-CD1 4.19Å; F382-Y527 HydrophobicContact CG-CE1 4.46Å; F382-Y527 HydrophobicContact CG-CG 4.36Å; E383-Y527 WeakPolarHBondContact CA-OH 3.41Å; E383-Y527 HydrophobicContact CG-CE2 3.88Å; E383-Y527 PolarHBondContact N-OH 3.22Å; E386-Y527 PolarHBondContact OE2-OH 3.25Å; S523-Y527 WeakPolarHBondContact O-CD2 3.5Å; S523-Y527 PolarHBondContact O-N 2.87Å; E524-Y527 PolarHBondContact O-N 3.19Å; A525-Y527 VanDerWaalsContact C-N 3.34Å; A525-Y527 PolarHBondContact O-N 3.42Å; Y527-V529 VanDerWaalsContact C-N 3.34Å; Y527-V529 PolarHBondContact O-N 2.7Å; Y527-R530 PolarHBondContact O-N 3.42Å; Y527-S531 VanDerWaalsContact O-CB 3.3Å; Y527-S531 WeakPolarHBondContact O-CB 3.46Å; Y527-S531 PolarHBondContact O-N 2.66Å; Y527-S531 PolarHBondContact O-OG 3.25Å; Y527-L536 HydrophobicContact CD1-CD1 4.01Å; Y527-I538 HydrophobicContact CD1-CG2 4.15Å; Y527-I538 HydrophobicContact CE1-CG2 3.67Å
528	I	96.1	Very high	91.6	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-42.1	170.7	-79.2	163.2	0	0	0	111.4	Y375 L485 V490 C520 E524 S531 L532	Y375-I528 HydrophobicContact CD1-CD1 3.99Å; Y375-I528 HydrophobicContact CD1-CG1 4.44Å; Y375-I528 HydrophobicContact CE1-CD1 3.57Å; Y375-I528 HydrophobicContact CE1-CG1 3.58Å; L485-I528 HydrophobicContact CD1-CD1 3.69Å; V490-I528 HydrophobicContact CG1-CD1 4.38Å; V490-I528 HydrophobicContact CG1-CG1 4.19Å; V490-I528 HydrophobicContact CG2-CD1 4.34Å; C520-I528 VanDerWaalsContact SG-CD1 3.56Å; E524-I528 WeakPolarHBondContact O-CB 3.35Å; E524-I528 WeakPolarHBondContact O-CG1 3.32Å; E524-I528 PolarHBondContact O-N 3.37Å; I528-S531 PolarHBondContact O-N 3.45Å; I528-L532 HydrophobicContact CG2-CD1 3.75Å; I528-L532 WeakPolarHBondContact O-CB 3.4Å; I528-L532 WeakPolarHBondContact O-CD1 3.17Å; I528-L532 WeakPolarHBondContact O-CG 3.38Å; I528-L532 PolarHBondContact O-N 2.9Å
529	V	94.9	Very high	91.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-48.1	175.4	-178.8	0	0	0	0	111.2	L440 V444 L465 A469 F517 A525 Y527 S531 L532 A533	L440-V529 HydrophobicContact CD2-CG1 3.77Å; L440-V529 WeakPolarHBondContact CD2-O 3.42Å; L440-V529 HydrophobicContact CG-CG1 4.16Å; V444-V529 HydrophobicContact CG2-CG2 4.42Å; L465-V529 HydrophobicContact CB-CG1 3.86Å; L465-V529 HydrophobicContact CD2-CG1 4Å; L465-V529 HydrophobicContact CG-CG1 3.74Å; A469-V529 HydrophobicContact CB-CG2 3.33Å; F517-V529 HydrophobicContact CE1-CG2 3.44Å; F517-V529 VanDerWaalsContact CE1-CG2 3.44Å; F517-V529 HydrophobicContact CZ-CG2 3.4Å; A525-V529 WeakPolarHBondContact O-CG2 3.43Å; A525-V529 PolarHBondContact O-N 2.99Å; A525-V529 VanDerWaalsContact O-N 3.1Å; Y527-V529 VanDerWaalsContact C-N 3.34Å; Y527-V529 PolarHBondContact O-N 2.7Å; V529-S531 VanDerWaalsContact C-N 3.27Å; V529-S531 PolarHBondContact O-N 3.23Å; V529-L532 CarbonylContact O-C 3.51Å; V529-L532 PolarHBondContact O-N 3.02Å; V529-L532 VanDerWaalsContact O-N 3.16Å; V529-A533 WeakPolarHBondContact O-CB 3.48Å; V529-A533 PolarHBondContact O-N 3.25Å
530	R	93.9	Very high	91.2	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-37	-179.4	-76.6	172.6	166.8	-175.4	-6.8	111.7	E386 D464 R526 Y527 A533 G534 K535	E386-R530 IonicContact OE1-CZ 2.74Å; E386-R530 IonicContact OE1-NH1 2.7Å; E386-R530 PolarHBondContact OE1-NH1 2.95Å; E386-R530 IonicContact OE1-NH2 2.68Å; E386-R530 PolarHBondContact OE1-NH2 3.46Å; E386-R530 IonicContact OE2-CZ 3.1Å; E386-R530 IonicContact OE2-NH1 3.12Å; E386-R530 PolarHBondContact OE2-NH1 2.95Å; E386-R530 IonicContact OE2-NH2 3.49Å; D464-R530 IonicContact OD1-NE 3.33Å; D464-R530 PolarHBondContact OD1-NE 3.06Å; D464-R530 IonicContact OD2-CZ 3.7Å; D464-R530 VanDerWaalsContact OD2-CZ 3.25Å; D464-R530 IonicContact OD2-NE 3.6Å; D464-R530 PolarHBondContact OD2-NE 2.84Å; D464-R530 IonicContact OD2-NH2 3.58Å; D464-R530 PolarHBondContact OD2-NH2 2.81Å; R526-R530 WeakPolarHBondContact O-CB 3.38Å; R526-R530 VanDerWaalsContact O-CG 3.28Å; R526-R530 WeakPolarHBondContact O-CG 3.31Å; R526-R530 PolarHBondContact O-N 2.77Å; R526-R530 VanDerWaalsContact O-N 3.11Å; Y527-R530 PolarHBondContact O-N 3.42Å; R530-A533 PolarHBondContact O-N 2.82Å; R530-G534 PolarHBondContact O-N 3.38Å; R530-K535 WeakPolarHBondContact CB-O 3.41Å; R530-K535 CarbonylContact O-C 3.53Å; R530-K535 PolarHBondContact O-N 3.43Å
531	S	93.9	Very high	91	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-50.3	170.1	-79.5	0	0	0	0	112.6	N422 L433 Y527 I528 V529 A533 G534	N422-S531 PolarHBondContact ND2-O 2.99Å; N422-S531 WeakPolarHBondContact OD1-CA 3.25Å; N422-S531 WeakPolarHBondContact OD1-CB 3.44Å; N422-S531 PolarHBondContact OD1-OG 3.18Å; L433-S531 WeakPolarHBondContact CD1-O 3.47Å; Y527-S531 VanDerWaalsContact O-CB 3.3Å; Y527-S531 WeakPolarHBondContact O-CB 3.46Å; Y527-S531 PolarHBondContact O-N 2.66Å; Y527-S531 PolarHBondContact O-OG 3.25Å; I528-S531 PolarHBondContact O-N 3.45Å; V529-S531 VanDerWaalsContact C-N 3.27Å; V529-S531 PolarHBondContact O-N 3.23Å; S531-A533 PolarHBondContact O-N 3.45Å; S531-G534 WeakPolarHBondContact O-CA 3.46Å; S531-G534 PolarHBondContact O-N 2.9Å
532	L	94	Very high	91.1	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-29.8	177.9	-73.6	166.4	0	0	0	113.2	L433 L440 L494 I497 I513 I528 V529 G534	L433-L532 HydrophobicContact CD2-CD2 4.36Å; L440-L532 HydrophobicContact CD1-CB 3.77Å; L440-L532 HydrophobicContact CD1-CD1 3.76Å; L440-L532 HydrophobicContact CD1-CG 4.39Å; L440-L532 HydrophobicContact CD2-CB 3.8Å; L440-L532 HydrophobicContact CG-CB 4.46Å; L494-L532 HydrophobicContact CD2-CD2 3.63Å; L494-L532 HydrophobicContact CD2-CG 4.1Å; I497-L532 HydrophobicContact CD1-CD2 4.02Å; I513-L532 HydrophobicContact CB-CD1 4.38Å; I513-L532 HydrophobicContact CD1-CD1 4.14Å; I513-L532 HydrophobicContact CD1-CD2 4.01Å; I513-L532 HydrophobicContact CG1-CD1 3.78Å; I513-L532 HydrophobicContact CG1-CD2 4Å; I513-L532 HydrophobicContact CG2-CD1 3.8Å; I528-L532 HydrophobicContact CG2-CD1 3.75Å; I528-L532 WeakPolarHBondContact O-CB 3.4Å; I528-L532 WeakPolarHBondContact O-CD1 3.17Å; I528-L532 WeakPolarHBondContact O-CG 3.38Å; I528-L532 PolarHBondContact O-N 2.9Å; V529-L532 CarbonylContact O-C 3.51Å; V529-L532 PolarHBondContact O-N 3.02Å; V529-L532 VanDerWaalsContact O-N 3.16Å; L532-G534 VanDerWaalsContact C-N 3.27Å; L532-G534 PolarHBondContact O-N 2.98Å
533	A	90.4	Very high	91.2	Very high	41 Å²	41	32.1 Å²	32.1	34%	0.339	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5	173.6	0	0	0	0	0	113.9	L440 V529 R530 S531 K535	L440-A533 HydrophobicContact CD2-CB 3.84Å; V529-A533 WeakPolarHBondContact O-CB 3.48Å; V529-A533 PolarHBondContact O-N 3.25Å; R530-A533 PolarHBondContact O-N 2.82Å; S531-A533 PolarHBondContact O-N 3.45Å; A533-K535 PolarHBondContact O-N 3.15Å
534	G	88.4	Confident	91.2	Very high	51 Å²	51	32.7 Å²	32.7	53%	0.526	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	11.4	-179.2	0	0	0	0	0	115.2	R530 S531 L532	R530-G534 PolarHBondContact O-N 3.38Å; S531-G534 WeakPolarHBondContact O-CA 3.46Å; S531-G534 PolarHBondContact O-N 2.9Å; L532-G534 VanDerWaalsContact C-N 3.27Å; L532-G534 PolarHBondContact O-N 2.98Å
535	K	85.2	Confident	91.2	Very high	137 Å²	137	32.6 Å²	32.6	60%	0.596	20%	0.199	S	C	*	.			trans	-141.6	81.7	-165.8	-68	176	-175.1	173.2	0	110.9	R530 A533 R537	R530-K535 WeakPolarHBondContact CB-O 3.41Å; R530-K535 CarbonylContact O-C 3.53Å; R530-K535 PolarHBondContact O-N 3.43Å; A533-K535 PolarHBondContact O-N 3.15Å; K535-R537 VanDerWaalsContact C-N 3.27Å; K535-R537 WeakPolarHBondContact O-CG 3.32Å; K535-R537 PolarHBondContact O-N 2.92Å
536	L	90.1	Very high	91.3	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.079	20%	0.199	C	C	.	.			trans	-63.9	-25.3	-175.8	-168.3	59.5	0	0	0	114.5	F382 N422 Y527 I538	F382-L536 HydrophobicContact CD2-CD1 4.16Å; F382-L536 HydrophobicContact CE1-CD2 4.13Å; F382-L536 HydrophobicContact CE2-CD1 3.96Å; F382-L536 HydrophobicContact CE2-CD2 4.01Å; F382-L536 HydrophobicContact CZ-CD2 3.78Å; N422-L536 HydrophobicContact CB-CB 4.14Å; N422-L536 HydrophobicContact CB-CD2 4.42Å; Y527-L536 HydrophobicContact CD1-CD1 4.01Å; L536-I538 HydrophobicContact CD2-CD1 3.67Å; L536-I538 HydrophobicContact CD2-CG1 4.07Å; L536-I538 HydrophobicContact CG-CD1 4.15Å; L536-I538 HydrophobicContact CG-CG1 4.06Å; L536-I538 HydrophobicContact CG-CG2 4.21Å; L536-I538 PolarHBondContact O-N 2.91Å
537	R	84.5	Confident	91.3	Very high	84 Å²	84	31.4 Å²	31.4	32%	0.317	20%	0.198	S	C	.	.			trans	63.3	-3.4	170.5	-70.3	166.8	177.8	-139.6	1.9	118.4	G463 D464 K535 G539	G463-R537 VanDerWaalsContact O-CZ 3.29Å; G463-R537 PolarHBondContact O-NH1 2.85Å; G463-R537 PolarHBondContact O-NH2 3.41Å; D464-R537 WeakPolarHBondContact OD2-CD 3.44Å; D464-R537 IonicContact OD2-CZ 2.95Å; D464-R537 IonicContact OD2-NE 3.68Å; D464-R537 IonicContact OD2-NH1 3.9Å; D464-R537 PolarHBondContact OD2-NH1 2.79Å; K535-R537 VanDerWaalsContact C-N 3.27Å; K535-R537 WeakPolarHBondContact O-CG 3.32Å; K535-R537 PolarHBondContact O-N 2.92Å; R537-G539 PolarHBondContact O-N 2.8Å
538	I	88.9	Confident	91.3	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.031	20%	0.198	C	C	.	.	S	Bend	trans	-65.5	12	-180	61.1	170.7	0	0	0	116.3	F382 I385 Y527 L536 L540	F382-I538 HydrophobicContact CB-CG2 3.78Å; F382-I538 HydrophobicContact CD1-CD1 3.59Å; F382-I538 HydrophobicContact CD1-CG2 4.45Å; F382-I538 HydrophobicContact CE1-CD1 3.82Å; F382-I538 HydrophobicContact CG-CD1 4.31Å; F382-I538 HydrophobicContact CG-CG2 4.16Å; I385-I538 HydrophobicContact CG2-CB 4.17Å; I385-I538 HydrophobicContact CG2-CD1 4.39Å; I385-I538 VanDerWaalsContact CG2-O 3.32Å; I385-I538 WeakPolarHBondContact CG2-O 3.42Å; Y527-I538 HydrophobicContact CD1-CG2 4.15Å; Y527-I538 HydrophobicContact CE1-CG2 3.67Å; L536-I538 HydrophobicContact CD2-CD1 3.67Å; L536-I538 HydrophobicContact CD2-CG1 4.07Å; L536-I538 HydrophobicContact CG-CD1 4.15Å; L536-I538 HydrophobicContact CG-CG1 4.06Å; L536-I538 HydrophobicContact CG-CG2 4.21Å; L536-I538 PolarHBondContact O-N 2.91Å; I538-L540 HydrophobicContact CD1-CB 3.86Å; I538-L540 HydrophobicContact CG1-CB 3.91Å; I538-L540 PolarHBondContact O-N 3.48Å
539	G	83.1	Confident	91.4	Very high	75 Å²	75	31.4 Å²	31.4	77%	0.773	20%	0.197	S	C	*	.	S	Bend	trans	64.9	-0	-178.6	0	0	0	0	0	116.4	R537	R537-G539 PolarHBondContact O-N 2.8Å
540	L	86.6	Confident	91.5	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.141	20%	0.197	C	C	.	.			trans	-97.2	135.2	-178.9	-160.1	151.8	0	0	0	110.5	I385 L398 I538 V545	I385-L540 HydrophobicContact CD1-CD1 3.83Å; I385-L540 HydrophobicContact CG2-CB 3.99Å; I385-L540 HydrophobicContact CG2-CD1 3.82Å; L398-L540 HydrophobicContact CB-CD1 4.24Å; L398-L540 HydrophobicContact CD2-CD1 3.75Å; L398-L540 HydrophobicContact CD2-CD2 4.02Å; I538-L540 HydrophobicContact CD1-CB 3.86Å; I538-L540 HydrophobicContact CG1-CB 3.91Å; I538-L540 PolarHBondContact O-N 3.48Å; L540-V545 HydrophobicContact CD2-CB 4.42Å; L540-V545 HydrophobicContact CD2-CG2 3.29Å
541	A	86.9	Confident	91.6	Very high	62 Å²	62	32.5 Å²	32.5	51%	0.512	20%	0.203	S	C	.	.			trans	-120.8	169.4	180	0	0	0	0	0	111.6	Q543 S544 V545	A541-Q543 VanDerWaalsContact C-N 3.3Å; A541-Q543 PolarHBondContact O-N 2.75Å; A541-S544 WeakPolarHBondContact O-CA 3.38Å; A541-S544 WeakPolarHBondContact O-CB 3.47Å; A541-S544 PolarHBondContact O-N 2.71Å; A541-V545 PolarHBondContact O-N 2.87Å; A541-V545 VanDerWaalsContact O-N 3.13Å
542	E	90.7	Very high	91.8	Very high	32 Å²	32	32.4 Å²	32.4	15%	0.15	20%	0.202	C	C	.	.	H	α-helix	trans	-51.3	-42.1	-175.1	-173	175.9	92.4	0	0	114.2	L421 Q423 S544 V545 L546 Y593 R627	L421-E542 HydrophobicContact CD2-CB 3.89Å; L421-E542 HydrophobicContact CD2-CG 3.88Å; Q423-E542 PolarHBondContact NE2-OE2 2.68Å; E542-S544 VanDerWaalsContact C-N 3.25Å; E542-S544 PolarHBondContact O-N 3.18Å; E542-V545 WeakPolarHBondContact O-CB 3.4Å; E542-V545 PolarHBondContact O-N 2.72Å; E542-L546 HydrophobicContact CG-CD1 4.33Å; E542-L546 WeakPolarHBondContact O-CG 3.5Å; E542-L546 PolarHBondContact O-N 2.73Å; E542-Y593 HydrophobicContact CG-CE1 4.26Å; E542-Y593 WeakPolarHBondContact OE1-CE1 3.29Å; E542-Y593 PolarHBondContact OE2-OH 3.15Å; E542-R627 IonicContact OE1-CZ 2.82Å; E542-R627 IonicContact OE1-NE 3.89Å; E542-R627 IonicContact OE1-NH2 3.35Å; E542-R627 PolarHBondContact OE1-NH2 2.7Å; E542-R627 IonicContact OE2-NH2 2.69Å; E542-R627 PolarHBondContact OE2-NH2 2.84Å
543	Q	91.1	Very high	91.9	Very high	89 Å²	89	32.6 Å²	32.6	42%	0.416	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-29.4	176.5	-67.5	-61.2	-30.6	0	0	113.4	A541 A547	A541-Q543 VanDerWaalsContact C-N 3.3Å; A541-Q543 PolarHBondContact O-N 2.75Å; Q543-A547 VanDerWaalsContact O-CB 3.32Å; Q543-A547 WeakPolarHBondContact O-CB 3.49Å; Q543-A547 PolarHBondContact O-N 2.6Å
544	S	94.6	Very high	92	Very high	13 Å²	13	30.9 Å²	30.9	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-77.7	-30.9	172.1	-62	0	0	0	0	112.3	A541 E542 A548	A541-S544 WeakPolarHBondContact O-CA 3.38Å; A541-S544 WeakPolarHBondContact O-CB 3.47Å; A541-S544 PolarHBondContact O-N 2.71Å; E542-S544 VanDerWaalsContact C-N 3.25Å; E542-S544 PolarHBondContact O-N 3.18Å; S544-A548 VanDerWaalsContact O-CB 3.26Å; S544-A548 WeakPolarHBondContact O-CB 3.41Å; S544-A548 PolarHBondContact O-N 2.72Å
545	V	96.2	Very high	92.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-67.4	-46.7	171.2	-178	0	0	0	0	110.3	L398 V417 C420 L421 L540 A541 E542 A547 A548 L549	L398-V545 HydrophobicContact CD2-CB 4.44Å; L398-V545 HydrophobicContact CD2-CG2 4.11Å; V417-V545 HydrophobicContact CG1-CG1 4.14Å; C420-V545 HydrophobicContact CB-CG2 4.34Å; L421-V545 HydrophobicContact CD1-CG1 4.48Å; L421-V545 HydrophobicContact CD2-CB 3.91Å; L421-V545 HydrophobicContact CD2-CG1 4.27Å; L421-V545 HydrophobicContact CD2-CG2 3.6Å; L421-V545 HydrophobicContact CG-CB 4.36Å; L421-V545 HydrophobicContact CG-CG1 4.19Å; L421-V545 HydrophobicContact CG-CG2 4.01Å; L540-V545 HydrophobicContact CD2-CB 4.42Å; L540-V545 HydrophobicContact CD2-CG2 3.29Å; A541-V545 PolarHBondContact O-N 2.87Å; A541-V545 VanDerWaalsContact O-N 3.13Å; E542-V545 WeakPolarHBondContact O-CB 3.4Å; E542-V545 PolarHBondContact O-N 2.72Å; V545-A547 VanDerWaalsContact C-N 3.35Å; V545-A547 PolarHBondContact O-N 2.74Å; V545-A548 PolarHBondContact O-N 3.39Å; V545-L549 VanDerWaalsContact O-CB 3.22Å; V545-L549 WeakPolarHBondContact O-CB 3.3Å; V545-L549 PolarHBondContact O-N 2.97Å
546	L	95.5	Very high	92.8	Very high	1 Å²	1	22 Å²	22	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-45.2	175.3	-69	169.3	0	0	0	111.2	E542 L549 S550 L589 K590 Y593 Y599	E542-L546 HydrophobicContact CG-CD1 4.33Å; E542-L546 WeakPolarHBondContact O-CG 3.5Å; E542-L546 PolarHBondContact O-N 2.73Å; L546-L549 PolarHBondContact O-N 3.46Å; L546-S550 WeakPolarHBondContact O-CB 3.45Å; L546-S550 PolarHBondContact O-N 3.05Å; L546-S550 PolarHBondContact O-OG 3.2Å; L546-L589 HydrophobicContact CD2-CD2 4.45Å; L546-L589 HydrophobicContact CD2-CG 4.23Å; L546-K590 HydrophobicContact CB-CG 4.29Å; L546-K590 HydrophobicContact CD1-CG 4.38Å; L546-Y593 HydrophobicContact CD1-CD1 3.74Å; L546-Y593 HydrophobicContact CD1-CE1 4.38Å; L546-Y593 HydrophobicContact CD1-CG 4.18Å; L546-Y593 HydrophobicContact CD2-CD1 4.2Å; L546-Y593 HydrophobicContact CD2-CD2 4.24Å; L546-Y593 HydrophobicContact CD2-CG 3.81Å; L546-Y599 HydrophobicContact CD2-CE1 4.01Å
547	A	95.6	Very high	93	Very high	13 Å²	13	23.3 Å²	23.3	11%	0.107	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-52.4	173.7	0	0	0	0	0	112	I395 Q543 V545 L549 S550 Q551	I395-A547 HydrophobicContact CD1-CB 3.85Å; I395-A547 HydrophobicContact CG1-CB 4.16Å; I395-A547 HydrophobicContact CG2-CB 3.9Å; Q543-A547 VanDerWaalsContact O-CB 3.32Å; Q543-A547 WeakPolarHBondContact O-CB 3.49Å; Q543-A547 PolarHBondContact O-N 2.6Å; V545-A547 VanDerWaalsContact C-N 3.35Å; V545-A547 PolarHBondContact O-N 2.74Å; A547-L549 VanDerWaalsContact C-N 3.34Å; A547-L549 PolarHBondContact O-N 2.92Å; A547-S550 WeakPolarHBondContact CA-OG 3.41Å; A547-S550 PolarHBondContact O-N 3.4Å; A547-S550 PolarHBondContact O-OG 3.49Å; A547-Q551 WeakPolarHBondContact O-CB 3.46Å; A547-Q551 PolarHBondContact O-N 2.97Å
548	A	97.6	Very high	93.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63	-37.4	-178.5	0	0	0	0	0	113.3	I395 L398 S399 L402 S544 V545 A552	I395-A548 HydrophobicContact CG2-CB 4.22Å; I395-A548 WeakPolarHBondContact O-CB 3.45Å; L398-A548 HydrophobicContact CB-CB 3.76Å; L398-A548 HydrophobicContact CD2-CB 3.7Å; L398-A548 HydrophobicContact CG-CB 3.63Å; S399-A548 WeakPolarHBondContact CB-O 2.94Å; S399-A548 PolarHBondContact OG-O 3.27Å; S399-A548 VanDerWaalsContact OG-O 3.04Å; L402-A548 HydrophobicContact CD1-CB 4.28Å; S544-A548 VanDerWaalsContact O-CB 3.26Å; S544-A548 WeakPolarHBondContact O-CB 3.41Å; S544-A548 PolarHBondContact O-N 2.72Å; V545-A548 PolarHBondContact O-N 3.39Å; A548-A552 VanDerWaalsContact O-CB 3.25Å; A548-A552 WeakPolarHBondContact O-CB 3.44Å; A548-A552 PolarHBondContact O-N 3.24Å
549	L	97.9	Very high	93.2	Very high	0 Å²	0	24 Å²	24	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.9	-46.7	175.4	178.6	60.2	0	0	0	111.2	L402 L413 V417 V545 L546 A547 Q551 A552 V553 L589 I603 L606	L402-L549 HydrophobicContact CD1-CB 4.15Å; L402-L549 HydrophobicContact CD1-CD1 4.45Å; L413-L549 HydrophobicContact CD1-CD1 4.33Å; V417-L549 HydrophobicContact CG2-CD1 4.38Å; V417-L549 HydrophobicContact CG2-CD2 4.3Å; V545-L549 VanDerWaalsContact O-CB 3.22Å; V545-L549 WeakPolarHBondContact O-CB 3.3Å; V545-L549 PolarHBondContact O-N 2.97Å; L546-L549 PolarHBondContact O-N 3.46Å; A547-L549 VanDerWaalsContact C-N 3.34Å; A547-L549 PolarHBondContact O-N 2.92Å; L549-Q551 PolarHBondContact O-N 3.19Å; L549-A552 PolarHBondContact O-N 3.12Å; L549-A552 VanDerWaalsContact O-N 3.15Å; L549-V553 HydrophobicContact CD1-CG1 4.23Å; L549-V553 WeakPolarHBondContact O-CG2 3.37Å; L549-V553 PolarHBondContact O-N 2.81Å; L549-L589 HydrophobicContact CB-CD2 4.13Å; L549-L589 HydrophobicContact CD2-CD2 4.01Å; L549-L589 HydrophobicContact CG-CD2 3.92Å; L549-I603 HydrophobicContact CD1-CD1 4.3Å; L549-I603 HydrophobicContact CD2-CD1 3.68Å; L549-L606 HydrophobicContact CD1-CD2 4.35Å; L549-L606 HydrophobicContact CD2-CD2 4.42Å; L549-L606 HydrophobicContact CG-CD2 4.3Å
550	S	96	Very high	93.5	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.7	-45.8	174	57.5	0	0	0	0	111.9	L546 A547 A552 V553 C554 S586	L546-S550 WeakPolarHBondContact O-CB 3.45Å; L546-S550 PolarHBondContact O-N 3.05Å; L546-S550 PolarHBondContact O-OG 3.2Å; A547-S550 WeakPolarHBondContact CA-OG 3.41Å; A547-S550 PolarHBondContact O-N 3.4Å; A547-S550 PolarHBondContact O-OG 3.49Å; S550-A552 VanDerWaalsContact C-N 3.3Å; S550-A552 PolarHBondContact O-N 3.35Å; S550-V553 WeakPolarHBondContact O-CG2 3.29Å; S550-C554 WeakPolarHBondContact O-CB 3.45Å; S550-C554 PolarHBondContact O-N 3.29Å; S550-C554 PolarHBondContact O-SG 3.32Å; S550-S586 WeakPolarHBondContact OG-CA 3.46Å; S550-S586 VanDerWaalsContact OG-CB 3.27Å; S550-S586 WeakPolarHBondContact OG-CB 3.41Å; S550-S586 PolarHBondContact OG-OG 2.62Å
551	Q	96.8	Very high	93.5	Very high	31 Å²	31	24.6 Å²	24.6	15%	0.145	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-41.5	173.9	-178.5	178.4	-22.7	0	0	111.4	S399 A547 L549 L555 I582	S399-Q551 WeakPolarHBondContact OG-CB 3.48Å; S399-Q551 VanDerWaalsContact OG-CG 3.31Å; S399-Q551 WeakPolarHBondContact OG-CG 3.46Å; A547-Q551 WeakPolarHBondContact O-CB 3.46Å; A547-Q551 PolarHBondContact O-N 2.97Å; L549-Q551 PolarHBondContact O-N 3.19Å; Q551-L555 HydrophobicContact CG-CD1 3.72Å; Q551-L555 HydrophobicContact CG-CG 4.15Å; Q551-L555 WeakPolarHBondContact O-CB 3.33Å; Q551-L555 VanDerWaalsContact O-CG 3.22Å; Q551-L555 WeakPolarHBondContact O-CG 3.34Å; Q551-L555 PolarHBondContact O-N 3.08Å; Q551-I582 HydrophobicContact CB-CG2 4.01Å; Q551-I582 HydrophobicContact CG-CD1 4.3Å; Q551-I582 HydrophobicContact CG-CG2 4.3Å
552	A	97.6	Very high	93.5	Very high	0 Å²	0	26 Å²	26	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-49.3	-177.2	0	0	0	0	0	112.2	S399 L402 R403 L406 A548 L549 S550 C554 T556	S399-A552 WeakPolarHBondContact OG-CA 3.34Å; S399-A552 PolarHBondContact OG-N 2.58Å; S399-A552 VanDerWaalsContact OG-N 3.1Å; L402-A552 HydrophobicContact CB-CB 3.62Å; R403-A552 HydrophobicContact CG-CB 3.84Å; L406-A552 HydrophobicContact CD1-CB 3.82Å; A548-A552 VanDerWaalsContact O-CB 3.25Å; A548-A552 WeakPolarHBondContact O-CB 3.44Å; A548-A552 PolarHBondContact O-N 3.24Å; L549-A552 PolarHBondContact O-N 3.12Å; L549-A552 VanDerWaalsContact O-N 3.15Å; S550-A552 VanDerWaalsContact C-N 3.3Å; S550-A552 PolarHBondContact O-N 3.35Å; A552-C554 VanDerWaalsContact C-N 3.34Å; A552-C554 PolarHBondContact O-N 2.95Å; A552-T556 WeakPolarHBondContact O-CA 3.33Å; A552-T556 WeakPolarHBondContact O-CB 3.35Å; A552-T556 PolarHBondContact O-N 2.83Å
553	V	95.9	Very high	93.3	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.036	19%	0.194	C	C	.	.	H	α-helix	trans	-73.4	-22.9	-179.3	-59.3	0	0	0	0	113.7	L406 L549 S550 T556 P557 L606 I611	L406-V553 HydrophobicContact CD1-CG1 3.76Å; L406-V553 HydrophobicContact CD2-CG1 3.98Å; L549-V553 HydrophobicContact CD1-CG1 4.23Å; L549-V553 WeakPolarHBondContact O-CG2 3.37Å; L549-V553 PolarHBondContact O-N 2.81Å; S550-V553 WeakPolarHBondContact O-CG2 3.29Å; V553-T556 CarbonylContact O-C 3.38Å; V553-P557 WeakPolarHBondContact O-CA 3.34Å; V553-L606 HydrophobicContact CB-CD1 4.31Å; V553-L606 HydrophobicContact CG1-CD1 4.32Å; V553-L606 HydrophobicContact CG1-CD2 3.92Å; V553-L606 HydrophobicContact CG1-CG 4.07Å; V553-L606 HydrophobicContact CG2-CD1 3.99Å; V553-L606 HydrophobicContact CG2-CD2 4.36Å; V553-I611 HydrophobicContact CG2-CB 4.25Å; V553-I611 HydrophobicContact CG2-CD1 3.68Å
554	C	93.7	Very high	93.3	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.034	18%	0.179	C	C	.	.	H	α-helix	trans	-77	-52.2	172.9	-64.3	0	0	0	0	111	S550 A552 T556 A569 W581 K585	S550-C554 WeakPolarHBondContact O-CB 3.45Å; S550-C554 PolarHBondContact O-N 3.29Å; S550-C554 PolarHBondContact O-SG 3.32Å; A552-C554 VanDerWaalsContact C-N 3.34Å; A552-C554 PolarHBondContact O-N 2.95Å; C554-T556 PolarHBondContact O-N 3.07Å; C554-A569 WeakPolarHBondContact O-CB 3.36Å; C554-W581 HydrophobicContact CB-CH2 3.9Å; C554-W581 HydrophobicContact CB-CZ2 4.09Å; C554-W581 HydrophobicContact CB-CZ3 4.3Å; C554-W581 WeakPolarHBondContact O-CH2 3.43Å; C554-K585 WeakPolarHBondContact SG-CB 3.25Å; C554-K585 VanDerWaalsContact SG-CG 3.55Å
555	L	95.4	Very high	93.1	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-29.4	178.9	-62.8	-175.2	0	0	0	112.2	Q551 D568 A569 R578 W581 I582	Q551-L555 HydrophobicContact CG-CD1 3.72Å; Q551-L555 HydrophobicContact CG-CG 4.15Å; Q551-L555 WeakPolarHBondContact O-CB 3.33Å; Q551-L555 VanDerWaalsContact O-CG 3.22Å; Q551-L555 WeakPolarHBondContact O-CG 3.34Å; Q551-L555 PolarHBondContact O-N 3.08Å; L555-D568 CarbonylContact O-C 3.01Å; L555-D568 WeakPolarHBondContact O-CA 3.17Å; L555-A569 PolarHBondContact O-N 3.47Å; L555-R578 VanDerWaalsContact CD2-NH2 3.28Å; L555-W581 HydrophobicContact CD2-CZ3 4.13Å; L555-I582 HydrophobicContact CD2-CD1 4.08Å
556	T	95.3	Very high	93	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-136.7	85.1	-175.3	-56.4	0	0	0	0	109	R403 L407 A552 V553 C554 I567	R403-T556 WeakPolarHBondContact CG-OG1 3.38Å; R403-T556 PolarHBondContact NE-OG1 3.04Å; L407-T556 HydrophobicContact CD1-CG2 3.49Å; L407-T556 VanDerWaalsContact CD1-CG2 3.49Å; L407-T556 HydrophobicContact CD2-CG2 3.57Å; L407-T556 HydrophobicContact CG-CG2 3.4Å; A552-T556 WeakPolarHBondContact O-CA 3.33Å; A552-T556 WeakPolarHBondContact O-CB 3.35Å; A552-T556 PolarHBondContact O-N 2.83Å; V553-T556 CarbonylContact O-C 3.38Å; C554-T556 PolarHBondContact O-N 3.07Å; T556-I567 PolarHBondContact OG1-O 3.27Å
557	P	92.9	Very high	92.8	Very high	42 Å²	42	35 Å²	35	27%	0.273	24%	0.241	S	C	.	.			trans	-57.3	137.8	-174.9	-28.4	36.5	0	0	0	113.2	V553 Q560 V566 A569	V553-P557 WeakPolarHBondContact O-CA 3.34Å; P557-Q560 PolarHBondContact O-NE2 3.11Å; P557-V566 HydrophobicContact CG-CG1 4.32Å; P557-A569 HydrophobicContact CG-CB 4.45Å
558	P	91.3	Very high	92.7	Very high	27 Å²	27	36.6 Å²	36.6	18%	0.175	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	170.6	176.2	31.1	-34.5	0	0	0	112.3	L406 Q560 L606 L607	L406-P558 HydrophobicContact CD2-CB 4.14Å; P558-Q560 VanDerWaalsContact C-N 3.26Å; P558-Q560 PolarHBondContact O-N 3.37Å; P558-L606 VanDerWaalsContact CG-O 3.31Å; P558-L606 WeakPolarHBondContact CG-O 3.42Å; P558-L607 HydrophobicContact CB-CD2 3.92Å
559	G	86.6	Confident	92.5	Very high	76 Å²	76	38.3 Å²	38.3	78%	0.784	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	4.8	173.9	0	0	0	0	0	115.8
560	Q	90.2	Very high	92.2	Very high	55 Å²	55	38.3 Å²	38.3	26%	0.257	26%	0.262	S	S	.	.			trans	-70	147.1	175.8	-64.6	-176.2	70.2	0	0	112.2	P557 P558 P564 A565 V566	P557-Q560 PolarHBondContact O-NE2 3.11Å; P558-Q560 VanDerWaalsContact C-N 3.26Å; P558-Q560 PolarHBondContact O-N 3.37Å; Q560-P564 HydrophobicContact CB-CB 4.41Å; Q560-A565 VanDerWaalsContact OE1-N 3.09Å; Q560-V566 PolarHBondContact NE2-O 2.65Å
561	G	86.1	Confident	92	Very high	61 Å²	61	46.8 Å²	46.8	63%	0.629	30%	0.298	S	S	*	.			trans	-66.4	163.5	162.5	0	0	0	0	0	111.8	P563 P564	G561-P563 CarbonylContact O-C 3.59Å; G561-P564 WeakPolarHBondContact O-CA 3.39Å
562	F	87.1	Confident	91.7	Very high	91 Å²	91	49.2 Å²	49.2	40%	0.399	33%	0.332	S	S	.	.	S	Bend	trans	-109.3	135.3	177	-166.9	-85	0	0	0	110.9	Q369 L408	Q369-F562 HydrophobicContact CB-CD2 4.41Å; Q369-F562 HydrophobicContact CB-CE1 4.48Å; Q369-F562 HydrophobicContact CB-CE2 4.07Å; Q369-F562 HydrophobicContact CB-CZ 4.11Å; Q369-F562 HydrophobicContact CG-CD1 4.43Å; Q369-F562 HydrophobicContact CG-CD2 3.76Å; Q369-F562 HydrophobicContact CG-CE2 3.92Å; Q369-F562 HydrophobicContact CG-CG 4.05Å; Q369-F562 HydrophobicContact CG-CZ 4.33Å; L408-F562 HydrophobicContact CD2-CE2 4Å
563	P	87	Confident	91.5	Very high	109 Å²	109	52.6 Å²	52.6	71%	0.708	35%	0.349	S	S	*	.	S	Bend	cis	-67.4	144.4	-2.2	29.5	-35.9	0	0	0	112.4	G561	G561-P563 CarbonylContact O-C 3.59Å
564	P	89.6	Confident	91.5	Very high	15 Å²	15	55 Å²	55	10%	0.097	37%	0.366	C	S	.	.			trans	-68.8	133.7	-175.2	27.3	-35.3	0	0	0	112.4	L407 Q560 G561 V566 I567	L407-P564 HydrophobicContact CD1-CG 4.02Å; L407-P564 HydrophobicContact CD2-CB 3.63Å; L407-P564 HydrophobicContact CD2-CG 3.86Å; L407-P564 HydrophobicContact CG-CG 4.46Å; Q560-P564 HydrophobicContact CB-CB 4.41Å; G561-P564 WeakPolarHBondContact O-CA 3.39Å; P564-V566 VanDerWaalsContact C-N 3.32Å; P564-V566 PolarHBondContact O-N 2.83Å; P564-I567 HydrophobicContact CB-CG1 4.5Å; P564-I567 HydrophobicContact CG-CD1 4.39Å; P564-I567 HydrophobicContact CG-CG1 3.95Å
565	A	91.3	Very high	91.4	Very high	98 Å²	98	57.5 Å²	57.5	81%	0.81	39%	0.387	S	S	*	.	S	Bend	trans	-70	-28.7	177.2	0	0	0	0	0	112.8	Q560	Q560-A565 VanDerWaalsContact OE1-N 3.09Å
566	V	92.9	Very high	91.3	Very high	58 Å²	58	62.5 Å²	62.5	35%	0.352	41%	0.41	S	S	.	.			trans	-128.5	100.9	-174.7	-174.3	0	0	0	0	110.4	P557 Q560 P564 A569	P557-V566 HydrophobicContact CG-CG1 4.32Å; Q560-V566 PolarHBondContact NE2-O 2.65Å; P564-V566 VanDerWaalsContact C-N 3.32Å; P564-V566 PolarHBondContact O-N 2.83Å; V566-A569 HydrophobicContact CG1-CB 3.66Å
567	I	92.3	Very high	91.3	Very high	45 Å²	45	65.6 Å²	65.6	23%	0.231	43%	0.432	C	S	.	.	S	Bend	trans	-95.1	-33.7	-179.4	-56.6	177.2	0	0	0	112	H360 P361 R403 T556 P564	H360-I567 WeakPolarHBondContact NE2-CD1 3.5Å; P361-I567 HydrophobicContact CG-CG2 4.06Å; R403-I567 PolarHBondContact NH2-O 2.66Å; T556-I567 PolarHBondContact OG1-O 3.27Å; P564-I567 HydrophobicContact CB-CG1 4.5Å; P564-I567 HydrophobicContact CG-CD1 4.39Å; P564-I567 HydrophobicContact CG-CG1 3.95Å
568	D	93.8	Very high	91.3	Very high	46 Å²	46	66.7 Å²	66.7	25%	0.246	43%	0.431	C	S	.	.			trans	-138.6	97.2	168.8	-173.8	-1.6	0	0	0	109.4	L555 G570 K571 R578	L555-D568 CarbonylContact O-C 3.01Å; L555-D568 WeakPolarHBondContact O-CA 3.17Å; D568-G570 PolarHBondContact O-N 3.45Å; D568-G570 WeakPolarHBondContact OD1-CA 3.09Å; D568-G570 PolarHBondContact OD1-N 3.46Å; D568-K571 HydrophobicContact CB-CB 4.31Å; D568-K571 WeakPolarHBondContact O-CB 3.49Å; D568-K571 PolarHBondContact O-N 3.35Å; D568-K571 VanDerWaalsContact O-N 3.13Å; D568-R578 VanDerWaalsContact CG-NH2 3.27Å; D568-R578 IonicContact OD1-CZ 3.51Å; D568-R578 IonicContact OD1-NH1 3.6Å; D568-R578 PolarHBondContact OD1-NH1 2.89Å; D568-R578 IonicContact OD1-NH2 3.78Å; D568-R578 PolarHBondContact OD1-NH2 3Å; D568-R578 IonicContact OD2-CZ 3.42Å; D568-R578 VanDerWaalsContact OD2-CZ 3.28Å; D568-R578 IonicContact OD2-NH1 2.77Å; D568-R578 PolarHBondContact OD2-NH1 3.08Å; D568-R578 IonicContact OD2-NH2 2.66Å; D568-R578 PolarHBondContact OD2-NH2 2.77Å
569	A	93.8	Very high	91.3	Very high	36 Å²	36	72.8 Å²	72.8	30%	0.298	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.5	175.1	0	0	0	0	0	113	C554 L555 P557 V566 K571 W581	C554-A569 WeakPolarHBondContact O-CB 3.36Å; L555-A569 PolarHBondContact O-N 3.47Å; P557-A569 HydrophobicContact CG-CB 4.45Å; V566-A569 HydrophobicContact CG1-CB 3.66Å; A569-K571 PolarHBondContact O-N 2.99Å; A569-W581 HydrophobicContact CB-CH2 3.89Å
570	G	91.4	Very high	91.7	Very high	1 Å²	1	72 Å²	72	1%	0.01	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	6.4	172.8	0	0	0	0	0	113.9	D568 G572 R578	D568-G570 PolarHBondContact O-N 3.45Å; D568-G570 WeakPolarHBondContact OD1-CA 3.09Å; D568-G570 PolarHBondContact OD1-N 3.46Å; G570-G572 PolarHBondContact O-N 3.02Å; G570-R578 VanDerWaalsContact C-NH1 3.34Å; G570-R578 PolarHBondContact O-NH1 2.88Å
571	K	91.3	Very high	91.8	Very high	177 Å²	177	72.1 Å²	72.1	77%	0.77	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	121.2	178	-176.3	-178.1	178.3	-175.8	0	110.4	D568 A569	D568-K571 HydrophobicContact CB-CB 4.31Å; D568-K571 WeakPolarHBondContact O-CB 3.49Å; D568-K571 PolarHBondContact O-N 3.35Å; D568-K571 VanDerWaalsContact O-N 3.13Å; A569-K571 PolarHBondContact O-N 2.99Å
572	G	90	Very high	92.2	Very high	83 Å²	83	70.6 Å²	70.6	86%	0.856	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	-10	-178	0	0	0	0	0	114.4	G570	G570-G572 PolarHBondContact O-N 3.02Å
573	M	94.7	Very high	92.5	Very high	71 Å²	71	72.7 Å²	72.7	35%	0.35	42%	0.423	S	S	.	.	S	Bend	trans	-74	153.1	167.6	-58	-178.6	86.1	0	0	111	R578 W581	M573-R578 HydrophobicContact CB-CB 3.99Å; M573-R578 HydrophobicContact SD-CB 4.26Å; M573-R578 HydrophobicContact SD-CG 4.49Å; M573-W581 HydrophobicContact CE-CB 3.88Å; M573-W581 HydrophobicContact CE-CD2 4.21Å; M573-W581 HydrophobicContact CE-CE3 4.12Å; M573-W581 HydrophobicContact CE-CG 4.13Å; M573-W581 HydrophobicContact SD-CD2 4.3Å; M573-W581 HydrophobicContact SD-CE3 3.68Å; M573-W581 HydrophobicContact SD-CZ3 4.09Å
574	S	95.6	Very high	92.7	Very high	55 Å²	55	72.2 Å²	72.2	39%	0.385	41%	0.411	S	S	.	.			trans	-65.5	161.4	163.9	64.9	0	0	0	0	110.9	E576 S577 R578	S574-E576 PolarHBondContact O-N 3.36Å; S574-S577 VanDerWaalsContact OG-CB 3.29Å; S574-S577 WeakPolarHBondContact OG-CB 3.24Å; S574-S577 PolarHBondContact OG-N 3.34Å; S574-S577 VanDerWaalsContact OG-N 3.07Å; S574-S577 PolarHBondContact OG-OG 3.35Å; S574-R578 WeakPolarHBondContact O-CB 3.43Å; S574-R578 PolarHBondContact O-N 3.16Å
575	A	91.8	Very high	92.9	Very high	59 Å²	59	72.5 Å²	72.5	49%	0.488	41%	0.41	S	S	.	.	H	α-helix	trans	-64.9	-25.2	177.5	0	0	0	0	0	112.1	R579	A575-R579 WeakPolarHBondContact O-CB 3.33Å; A575-R579 WeakPolarHBondContact O-CG 3.49Å; A575-R579 PolarHBondContact O-N 2.86Å; A575-R579 PolarHBondContact O-NE 3.41Å
576	E	93.3	Very high	93	Very high	108 Å²	108	68 Å²	68	51%	0.505	37%	0.373	S	S	.	.	H	α-helix	trans	-79.1	-54.6	-179	-65.4	54.4	-115.3	0	0	109.6	S574 R578 R579 A580	S574-E576 PolarHBondContact O-N 3.36Å; E576-R578 VanDerWaalsContact C-N 3.31Å; E576-R578 PolarHBondContact O-N 2.88Å; E576-R579 PolarHBondContact O-N 3.45Å; E576-R579 VanDerWaalsContact O-N 3.14Å; E576-R579 IonicContact OE1-CZ 2.72Å; E576-R579 IonicContact OE1-NH2 2.7Å; E576-R579 PolarHBondContact OE1-NH2 2.63Å; E576-A580 PolarHBondContact O-N 2.92Å
577	S	94.3	Very high	93	Very high	65 Å²	65	70.6 Å²	70.6	46%	0.455	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-36	178.5	-57.2	0	0	0	0	111.9	S574 W581	S574-S577 VanDerWaalsContact OG-CB 3.29Å; S574-S577 WeakPolarHBondContact OG-CB 3.24Å; S574-S577 PolarHBondContact OG-N 3.34Å; S574-S577 VanDerWaalsContact OG-N 3.07Å; S574-S577 PolarHBondContact OG-OG 3.35Å; S577-W581 VanDerWaalsContact O-CB 3.25Å; S577-W581 WeakPolarHBondContact O-CB 3.44Å; S577-W581 PolarHBondContact O-N 3.38Å
578	R	93.2	Very high	93	Very high	64 Å²	64	70.2 Å²	70.2	24%	0.242	38%	0.382	C	S	.	.	H	α-helix	trans	-63.8	-39	174.1	-174.2	173.7	176.5	147.2	-0.8	112.1	L555 D568 G570 M573 S574 E576 I582	L555-R578 VanDerWaalsContact CD2-NH2 3.28Å; D568-R578 VanDerWaalsContact CG-NH2 3.27Å; D568-R578 IonicContact OD1-CZ 3.51Å; D568-R578 IonicContact OD1-NH1 3.6Å; D568-R578 PolarHBondContact OD1-NH1 2.89Å; D568-R578 IonicContact OD1-NH2 3.78Å; D568-R578 PolarHBondContact OD1-NH2 3Å; D568-R578 IonicContact OD2-CZ 3.42Å; D568-R578 VanDerWaalsContact OD2-CZ 3.28Å; D568-R578 IonicContact OD2-NH1 2.77Å; D568-R578 PolarHBondContact OD2-NH1 3.08Å; D568-R578 IonicContact OD2-NH2 2.66Å; D568-R578 PolarHBondContact OD2-NH2 2.77Å; G570-R578 VanDerWaalsContact C-NH1 3.34Å; G570-R578 PolarHBondContact O-NH1 2.88Å; M573-R578 HydrophobicContact CB-CB 3.99Å; M573-R578 HydrophobicContact SD-CB 4.26Å; M573-R578 HydrophobicContact SD-CG 4.49Å; S574-R578 WeakPolarHBondContact O-CB 3.43Å; S574-R578 PolarHBondContact O-N 3.16Å; E576-R578 VanDerWaalsContact C-N 3.31Å; E576-R578 PolarHBondContact O-N 2.88Å; R578-I582 HydrophobicContact CG-CD1 3.93Å; R578-I582 VanDerWaalsContact O-CD1 3.3Å; R578-I582 WeakPolarHBondContact O-CD1 3.39Å; R578-I582 WeakPolarHBondContact O-CG1 3.42Å; R578-I582 PolarHBondContact O-N 3.02Å; R578-I582 VanDerWaalsContact O-N 3.16Å
579	R	91.4	Very high	93	Very high	155 Å²	155	68 Å²	68	59%	0.585	37%	0.371	S	S	*	.	H	α-helix	trans	-67.1	-53	176.6	-80.5	179.8	-72.4	157.6	-7.2	111.4	A575 E576 W581 I582 E583	A575-R579 WeakPolarHBondContact O-CB 3.33Å; A575-R579 WeakPolarHBondContact O-CG 3.49Å; A575-R579 PolarHBondContact O-N 2.86Å; A575-R579 PolarHBondContact O-NE 3.41Å; E576-R579 PolarHBondContact O-N 3.45Å; E576-R579 VanDerWaalsContact O-N 3.14Å; E576-R579 IonicContact OE1-CZ 2.72Å; E576-R579 IonicContact OE1-NH2 2.7Å; E576-R579 PolarHBondContact OE1-NH2 2.63Å; R579-W581 VanDerWaalsContact C-N 3.3Å; R579-W581 PolarHBondContact O-N 3.48Å; R579-I582 PolarHBondContact O-N 3Å; R579-E583 WeakPolarHBondContact O-CB 3.14Å; R579-E583 PolarHBondContact O-N 3.38Å
580	A	93.7	Very high	93	Very high	59 Å²	59	69 Å²	69	49%	0.488	37%	0.369	S	S	.	.	H	α-helix	trans	-57.7	-41.3	-180	0	0	0	0	0	112.5	E576 E583 E584	E576-A580 PolarHBondContact O-N 2.92Å; A580-E583 PolarHBondContact O-N 2.87Å; A580-E584 WeakPolarHBondContact O-CB 3.27Å; A580-E584 PolarHBondContact O-N 2.8Å
581	W	93.9	Very high	92.9	Very high	59 Å²	59	71.7 Å²	71.7	22%	0.223	38%	0.381	C	S	.	.	H	α-helix	trans	-65.8	-44.9	176.2	174	60.6	0	0	0	113.1	C554 L555 A569 M573 S577 R579 E583 E584 K585	C554-W581 HydrophobicContact CB-CH2 3.9Å; C554-W581 HydrophobicContact CB-CZ2 4.09Å; C554-W581 HydrophobicContact CB-CZ3 4.3Å; C554-W581 WeakPolarHBondContact O-CH2 3.43Å; L555-W581 HydrophobicContact CD2-CZ3 4.13Å; A569-W581 HydrophobicContact CB-CH2 3.89Å; M573-W581 HydrophobicContact CE-CB 3.88Å; M573-W581 HydrophobicContact CE-CD2 4.21Å; M573-W581 HydrophobicContact CE-CE3 4.12Å; M573-W581 HydrophobicContact CE-CG 4.13Å; M573-W581 HydrophobicContact SD-CD2 4.3Å; M573-W581 HydrophobicContact SD-CE3 3.68Å; M573-W581 HydrophobicContact SD-CZ3 4.09Å; S577-W581 VanDerWaalsContact O-CB 3.25Å; S577-W581 WeakPolarHBondContact O-CB 3.44Å; S577-W581 PolarHBondContact O-N 3.38Å; R579-W581 VanDerWaalsContact C-N 3.3Å; R579-W581 PolarHBondContact O-N 3.48Å; W581-E583 PolarHBondContact O-N 3.07Å; W581-E584 PolarHBondContact O-N 2.88Å; W581-K585 WeakPolarHBondContact O-CG 3.37Å; W581-K585 PolarHBondContact O-N 3.07Å; W581-K585 VanDerWaalsContact O-N 3.15Å
582	I	94	Very high	93	Very high	28 Å²	28	63.4 Å²	63.4	14%	0.144	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-37.5	175.1	-68.4	163	0	0	0	110.5	Q551 L555 R578 R579 S586	Q551-I582 HydrophobicContact CB-CG2 4.01Å; Q551-I582 HydrophobicContact CG-CD1 4.3Å; Q551-I582 HydrophobicContact CG-CG2 4.3Å; L555-I582 HydrophobicContact CD2-CD1 4.08Å; R578-I582 HydrophobicContact CG-CD1 3.93Å; R578-I582 VanDerWaalsContact O-CD1 3.3Å; R578-I582 WeakPolarHBondContact O-CD1 3.39Å; R578-I582 WeakPolarHBondContact O-CG1 3.42Å; R578-I582 PolarHBondContact O-N 3.02Å; R578-I582 VanDerWaalsContact O-N 3.16Å; R579-I582 PolarHBondContact O-N 3Å; I582-S586 VanDerWaalsContact O-CB 3.23Å; I582-S586 WeakPolarHBondContact O-CB 3.09Å; I582-S586 PolarHBondContact O-N 3.36Å
583	E	92.4	Very high	93.1	Very high	136 Å²	136	59.8 Å²	59.8	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-67	-46	178.9	-177.7	149.3	-127.6	0	0	112.8	R579 A580 W581 K585 S586 L587	R579-E583 WeakPolarHBondContact O-CB 3.14Å; R579-E583 PolarHBondContact O-N 3.38Å; A580-E583 PolarHBondContact O-N 2.87Å; W581-E583 PolarHBondContact O-N 3.07Å; E583-K585 PolarHBondContact O-N 2.78Å; E583-S586 WeakPolarHBondContact O-CB 2.98Å; E583-S586 PolarHBondContact O-N 3.05Å; E583-S586 VanDerWaalsContact O-N 3.13Å; E583-L587 PolarHBondContact O-N 2.87Å
584	E	93.1	Very high	93	Very high	98 Å²	98	56.8 Å²	56.8	46%	0.458	29%	0.291	S	S	.	.	H	α-helix	trans	-51.6	-52.8	171.7	-174.7	-144.7	142.6	0	0	111.1	A580 W581 S586 L587 I588	A580-E584 WeakPolarHBondContact O-CB 3.27Å; A580-E584 PolarHBondContact O-N 2.8Å; W581-E584 PolarHBondContact O-N 2.88Å; E584-S586 VanDerWaalsContact C-N 3.32Å; E584-S586 PolarHBondContact O-N 3.44Å; E584-L587 WeakPolarHBondContact O-CB 3.35Å; E584-L587 PolarHBondContact O-N 2.81Å; E584-I588 PolarHBondContact O-N 3.33Å
585	K	92.6	Very high	92.7	Very high	21 Å²	21	54.6 Å²	54.6	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-70.1	-29.8	179.3	-54.5	-47.2	179.5	-170.8	0	112.6	C554 W581 E583 L587 I588 L589 I611 D612	C554-K585 WeakPolarHBondContact SG-CB 3.25Å; C554-K585 VanDerWaalsContact SG-CG 3.55Å; W581-K585 WeakPolarHBondContact O-CG 3.37Å; W581-K585 PolarHBondContact O-N 3.07Å; W581-K585 VanDerWaalsContact O-N 3.15Å; E583-K585 PolarHBondContact O-N 2.78Å; K585-L587 VanDerWaalsContact C-N 3.33Å; K585-I588 HydrophobicContact CD-CD1 3.87Å; K585-I588 PolarHBondContact O-N 3.29Å; K585-L589 PolarHBondContact O-N 2.78Å; K585-L589 VanDerWaalsContact O-N 3.13Å; K585-I611 HydrophobicContact CB-CD1 4.01Å; K585-I611 HydrophobicContact CB-CG1 4.42Å; K585-I611 HydrophobicContact CB-CG2 4.36Å; K585-I611 HydrophobicContact CD-CG2 4.33Å; K585-I611 HydrophobicContact CG-CG2 4.37Å; K585-I611 WeakPolarHBondContact O-CD1 3.05Å; K585-D612 WeakPolarHBondContact CD-OD1 3.47Å; K585-D612 VanDerWaalsContact CE-OD1 3.31Å; K585-D612 WeakPolarHBondContact CE-OD1 3.47Å; K585-D612 IonicContact NZ-OD1 2.76Å; K585-D612 PolarHBondContact NZ-OD1 2.68Å; K585-D612 IonicContact NZ-OD2 3.2Å
586	S	93.7	Very high	92.7	Very high	5 Å²	5	52.2 Å²	52.2	4%	0.035	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-38.1	172.5	-158.8	0	0	0	0	111.8	S550 I582 E583 E584 L589 K590	S550-S586 WeakPolarHBondContact OG-CA 3.46Å; S550-S586 VanDerWaalsContact OG-CB 3.27Å; S550-S586 WeakPolarHBondContact OG-CB 3.41Å; S550-S586 PolarHBondContact OG-OG 2.62Å; I582-S586 VanDerWaalsContact O-CB 3.23Å; I582-S586 WeakPolarHBondContact O-CB 3.09Å; I582-S586 PolarHBondContact O-N 3.36Å; E583-S586 WeakPolarHBondContact O-CB 2.98Å; E583-S586 PolarHBondContact O-N 3.05Å; E583-S586 VanDerWaalsContact O-N 3.13Å; E584-S586 VanDerWaalsContact C-N 3.32Å; E584-S586 PolarHBondContact O-N 3.44Å; S586-L589 PolarHBondContact O-N 2.74Å; S586-K590 WeakPolarHBondContact O-CB 3.44Å; S586-K590 WeakPolarHBondContact O-CD 3.3Å; S586-K590 WeakPolarHBondContact O-CG 3.46Å; S586-K590 PolarHBondContact O-N 3.09Å; S586-K590 VanDerWaalsContact OG-CE 3.3Å; S586-K590 WeakPolarHBondContact OG-CE 3.4Å; S586-K590 PolarHBondContact OG-NZ 3.44Å
587	L	91.9	Very high	92.7	Very high	112 Å²	112	47.4 Å²	47.4	59%	0.586	23%	0.232	S	C	*	.	H	α-helix	trans	-63.1	-43	174	-176.3	61.6	0	0	0	111.5	E583 E584 K585 L589 K590 Q591	E583-L587 PolarHBondContact O-N 2.87Å; E584-L587 WeakPolarHBondContact O-CB 3.35Å; E584-L587 PolarHBondContact O-N 2.81Å; K585-L587 VanDerWaalsContact C-N 3.33Å; L587-L589 PolarHBondContact O-N 3.14Å; L587-K590 PolarHBondContact O-N 3.24Å; L587-Q591 VanDerWaalsContact O-CB 3.3Å; L587-Q591 WeakPolarHBondContact O-CB 3.38Å; L587-Q591 PolarHBondContact O-N 2.97Å
588	I	93.4	Very high	92.7	Very high	36 Å²	36	44.9 Å²	44.9	19%	0.185	21%	0.213	C	C	.	.	H	α-helix	trans	-56.8	-50.8	175.2	-61.8	173.4	0	0	0	111	E584 K585 T592 I611 P615	E584-I588 PolarHBondContact O-N 3.33Å; K585-I588 HydrophobicContact CD-CD1 3.87Å; K585-I588 PolarHBondContact O-N 3.29Å; I588-T592 WeakPolarHBondContact O-CB 3.48Å; I588-T592 PolarHBondContact O-N 3.43Å; I588-T592 PolarHBondContact O-OG1 2.9Å; I588-I611 WeakPolarHBondContact CG2-O 3.32Å; I588-P615 HydrophobicContact CG2-CG 3.76Å
589	L	94.3	Very high	92.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-41.5	-179.6	179.5	62.3	0	0	0	112.4	L546 L549 K585 S586 L587 T592 Y593 I602 I611 L614	L546-L589 HydrophobicContact CD2-CD2 4.45Å; L546-L589 HydrophobicContact CD2-CG 4.23Å; L549-L589 HydrophobicContact CB-CD2 4.13Å; L549-L589 HydrophobicContact CD2-CD2 4.01Å; L549-L589 HydrophobicContact CG-CD2 3.92Å; K585-L589 PolarHBondContact O-N 2.78Å; K585-L589 VanDerWaalsContact O-N 3.13Å; S586-L589 PolarHBondContact O-N 2.74Å; L587-L589 PolarHBondContact O-N 3.14Å; L589-T592 PolarHBondContact O-N 3.48Å; L589-Y593 WeakPolarHBondContact O-CB 3.39Å; L589-Y593 PolarHBondContact O-N 3.19Å; L589-I602 HydrophobicContact CD1-CG2 3.92Å; L589-I611 HydrophobicContact CB-CD1 4.02Å; L589-L614 HydrophobicContact CD1-CD1 3.64Å
590	K	92.3	Very high	93	Very high	57 Å²	57	37.2 Å²	37.2	25%	0.248	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-50.2	176.7	-74.7	164.9	-175.6	160.7	0	111.1	L546 S586 L587 T592 Y593 C594	L546-K590 HydrophobicContact CB-CG 4.29Å; L546-K590 HydrophobicContact CD1-CG 4.38Å; S586-K590 WeakPolarHBondContact O-CB 3.44Å; S586-K590 WeakPolarHBondContact O-CD 3.3Å; S586-K590 WeakPolarHBondContact O-CG 3.46Å; S586-K590 PolarHBondContact O-N 3.09Å; S586-K590 VanDerWaalsContact OG-CE 3.3Å; S586-K590 WeakPolarHBondContact OG-CE 3.4Å; S586-K590 PolarHBondContact OG-NZ 3.44Å; L587-K590 PolarHBondContact O-N 3.24Å; K590-T592 VanDerWaalsContact C-N 3.35Å; K590-T592 PolarHBondContact O-N 2.9Å; K590-Y593 PolarHBondContact O-N 2.81Å; K590-C594 WeakPolarHBondContact O-CB 3.31Å; K590-C594 PolarHBondContact O-N 2.91Å; K590-C594 PolarHBondContact O-SG 3.42Å
591	Q	89.9	Confident	93.1	Very high	57 Å²	57	37.6 Å²	37.6	27%	0.266	18%	0.182	S	C	.	.	H	α-helix	trans	-60.3	-45.4	178.8	-178.2	61	29.9	0	0	111.2	L587 Y593 C594 E595	L587-Q591 VanDerWaalsContact O-CB 3.3Å; L587-Q591 WeakPolarHBondContact O-CB 3.38Å; L587-Q591 PolarHBondContact O-N 2.97Å; Q591-Y593 PolarHBondContact O-N 2.79Å; Q591-C594 PolarHBondContact O-N 2.9Å; Q591-C594 VanDerWaalsContact O-N 3.16Å; Q591-E595 PolarHBondContact NE2-OE1 3.21Å; Q591-E595 PolarHBondContact O-N 3.3Å
592	T	93.1	Very high	93.2	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-47.7	176	-54.5	0	0	0	0	111.4	I588 L589 K590 C594 E595 M596 I602 L614 C618	I588-T592 WeakPolarHBondContact O-CB 3.48Å; I588-T592 PolarHBondContact O-N 3.43Å; I588-T592 PolarHBondContact O-OG1 2.9Å; L589-T592 PolarHBondContact O-N 3.48Å; K590-T592 VanDerWaalsContact C-N 3.35Å; K590-T592 PolarHBondContact O-N 2.9Å; T592-C594 VanDerWaalsContact C-N 3.28Å; T592-C594 PolarHBondContact O-N 2.86Å; T592-E595 PolarHBondContact O-N 3Å; T592-M596 WeakPolarHBondContact O-CB 3.32Å; T592-M596 PolarHBondContact O-N 3.1Å; T592-I602 HydrophobicContact CG2-CD1 4.01Å; T592-I602 HydrophobicContact CG2-CG1 4.24Å; T592-L614 HydrophobicContact CG2-CB 4.03Å; T592-L614 HydrophobicContact CG2-CD2 4.34Å; T592-C618 HydrophobicContact CG2-CB 3.35Å
593	Y	93.5	Very high	93.4	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.027	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-29.8	178.1	-178.9	-94.5	0	0	0	112.8	E542 L546 L589 K590 Q591 M596 P597 Y599 I602	E542-Y593 HydrophobicContact CG-CE1 4.26Å; E542-Y593 WeakPolarHBondContact OE1-CE1 3.29Å; E542-Y593 PolarHBondContact OE2-OH 3.15Å; L546-Y593 HydrophobicContact CD1-CD1 3.74Å; L546-Y593 HydrophobicContact CD1-CE1 4.38Å; L546-Y593 HydrophobicContact CD1-CG 4.18Å; L546-Y593 HydrophobicContact CD2-CD1 4.2Å; L546-Y593 HydrophobicContact CD2-CD2 4.24Å; L546-Y593 HydrophobicContact CD2-CG 3.81Å; L589-Y593 WeakPolarHBondContact O-CB 3.39Å; L589-Y593 PolarHBondContact O-N 3.19Å; K590-Y593 PolarHBondContact O-N 2.81Å; Q591-Y593 PolarHBondContact O-N 2.79Å; Y593-M596 CarbonylContact O-C 3.5Å; Y593-M596 VanDerWaalsContact O-C 3.22Å; Y593-P597 HydrophobicContact CE1-CB 4.05Å; Y593-P597 HydrophobicContact CE2-CB 4.05Å; Y593-P597 WeakPolarHBondContact O-CA 3.28Å; Y593-P597 WeakPolarHBondContact O-CB 3.42Å; Y593-Y599 HydrophobicContact CD2-CD1 4.31Å; Y593-Y599 AromaticContact CD2-CE1 3.73Å; Y593-Y599 HydrophobicContact CD2-CE1 3.73Å; Y593-Y599 HydrophobicContact CD2-CE2 4.15Å; Y593-Y599 AromaticContact CD2-CZ 3.65Å; Y593-Y599 HydrophobicContact CE2-CD1 4.27Å; Y593-Y599 AromaticContact CE2-CD2 3.88Å; Y593-Y599 HydrophobicContact CE2-CD2 3.88Å; Y593-Y599 AromaticContact CE2-CE1 3.73Å; Y593-Y599 HydrophobicContact CE2-CE1 3.73Å; Y593-Y599 AromaticContact CE2-CE2 3.28Å; Y593-Y599 HydrophobicContact CE2-CE2 3.28Å; Y593-Y599 HydrophobicContact CE2-CG 4.34Å; Y593-Y599 AromaticContact CE2-CZ 3.2Å; Y593-Y599 WeakPolarHBondContact CE2-OH 3.41Å; Y593-Y599 AromaticContact CZ-CE2 3.74Å; Y593-Y599 AromaticContact CZ-CZ 3.75Å; Y593-I602 HydrophobicContact CD2-CD1 4.05Å
594	C	90.8	Very high	93.6	Very high	8 Å²	8	30.3 Å²	30.3	5%	0.054	16%	0.156	C	C	.	.	H	α-helix	trans	-70.4	-40.9	176	-69.3	0	0	0	0	111.7	K590 Q591 T592 R627 I821 A822	K590-C594 WeakPolarHBondContact O-CB 3.31Å; K590-C594 PolarHBondContact O-N 2.91Å; K590-C594 PolarHBondContact O-SG 3.42Å; Q591-C594 PolarHBondContact O-N 2.9Å; Q591-C594 VanDerWaalsContact O-N 3.16Å; T592-C594 VanDerWaalsContact C-N 3.28Å; T592-C594 PolarHBondContact O-N 2.86Å; C594-R627 PolarHBondContact O-N 3.13Å; C594-I821 HydrophobicContact CB-CB 3.89Å; C594-I821 HydrophobicContact CB-CG2 3.53Å; C594-I821 WeakPolarHBondContact O-CG2 3.14Å; C594-A822 HydrophobicContact CB-CB 4.48Å
595	E	90.8	Very high	93.7	Very high	10 Å²	10	27 Å²	27	5%	0.047	14%	0.142	C	C	.	.	H	α-helix	trans	-71.5	-29.9	172.7	-72.5	179.1	-120.1	0	0	113.3	Q591 T592 L620 R758 I821	Q591-E595 PolarHBondContact NE2-OE1 3.21Å; Q591-E595 PolarHBondContact O-N 3.3Å; T592-E595 PolarHBondContact O-N 3Å; E595-L620 HydrophobicContact CB-CB 4.49Å; E595-R758 IonicContact OE1-CZ 3.45Å; E595-R758 IonicContact OE1-NH1 3.49Å; E595-R758 PolarHBondContact OE1-NH1 2.82Å; E595-R758 VanDerWaalsContact OE1-NH1 3.09Å; E595-R758 IonicContact OE1-NH2 2.95Å; E595-R758 PolarHBondContact OE1-NH2 2.95Å; E595-R758 IonicContact OE2-CZ 3.49Å; E595-R758 IonicContact OE2-NH1 3.59Å; E595-R758 PolarHBondContact OE2-NH1 3.49Å; E595-R758 IonicContact OE2-NH2 3.67Å; E595-I821 HydrophobicContact CB-CD1 4.37Å; E595-I821 HydrophobicContact CG-CD1 3.28Å
596	M	91.6	Very high	93.9	Very high	8 Å²	8	26 Å²	26	4%	0.039	14%	0.138	C	C	.	.			trans	-142.6	78.8	-173.7	178.5	54.8	57.6	0	0	110.1	T592 Y593 N598 I601 I602 C618 K619 V624	T592-M596 WeakPolarHBondContact O-CB 3.32Å; T592-M596 PolarHBondContact O-N 3.1Å; Y593-M596 CarbonylContact O-C 3.5Å; Y593-M596 VanDerWaalsContact O-C 3.22Å; M596-N598 PolarHBondContact O-N 2.99Å; M596-N598 HydrophobicContact SD-CB 4.16Å; M596-I601 HydrophobicContact SD-CD1 3.89Å; M596-I602 WeakPolarHBondContact O-CD1 3.41Å; M596-C618 HydrophobicContact CB-CB 4.48Å; M596-C618 HydrophobicContact CG-CB 4.32Å; M596-K619 WeakPolarHBondContact CE-O 3.41Å; M596-V624 HydrophobicContact CE-CB 4.06Å; M596-V624 HydrophobicContact CE-CG1 4.14Å; M596-V624 HydrophobicContact CE-CG2 4.19Å; M596-V624 HydrophobicContact SD-CB 4.24Å; M596-V624 HydrophobicContact SD-CG1 3.75Å; M596-V624 HydrophobicContact SD-CG2 4.24Å
597	P	93	Very high	94	Very high	8 Å²	8	27.8 Å²	27.8	5%	0.052	15%	0.147	C	C	.	.			trans	-77.3	54.6	-173.8	30.2	-35.4	0	0	0	113.3	Y593 P625	Y593-P597 HydrophobicContact CE1-CB 4.05Å; Y593-P597 HydrophobicContact CE2-CB 4.05Å; Y593-P597 WeakPolarHBondContact O-CA 3.28Å; Y593-P597 WeakPolarHBondContact O-CB 3.42Å; P597-P625 WeakPolarHBondContact CD-O 3.47Å; P597-P625 WeakPolarHBondContact CG-O 3.27Å
598	N	94.6	Very high	94.1	Very high	11 Å²	11	31.8 Å²	31.8	6%	0.059	16%	0.159	C	C	.	.			trans	-136	105.9	-175.7	-176	-12.8	0	0	0	111.6	P426 Y428 M596 D600 I601 I602	P426-N598 HydrophobicContact CG-CB 4.01Å; P426-N598 VanDerWaalsContact CG-CG 3.41Å; P426-N598 VanDerWaalsContact CG-OD1 3.29Å; P426-N598 WeakPolarHBondContact CG-OD1 3.37Å; Y428-N598 PolarHBondContact OH-ND2 2.89Å; M596-N598 PolarHBondContact O-N 2.99Å; M596-N598 HydrophobicContact SD-CB 4.16Å; N598-D600 WeakPolarHBondContact OD1-CA 3.46Å; N598-D600 VanDerWaalsContact OD1-CB 3.27Å; N598-D600 WeakPolarHBondContact OD1-CB 3.44Å; N598-D600 PolarHBondContact OD1-N 3.34Å; N598-I601 HydrophobicContact CB-CB 4.48Å; N598-I601 HydrophobicContact CB-CD1 4.33Å; N598-I601 HydrophobicContact CB-CG1 4.48Å; N598-I601 WeakPolarHBondContact ND2-CD1 3.18Å; N598-I601 PolarHBondContact O-N 3.31Å; N598-I601 PolarHBondContact OD1-N 3.01Å; N598-I602 PolarHBondContact O-N 3.31Å
599	Y	95.7	Very high	94.1	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-71.8	-26.6	176.5	-60.5	-74.9	0	0	0	113.6	L414 V417 Y418 L421 L546 Y593 I601 I602 I603	L414-Y599 WeakPolarHBondContact CD1-O 3.49Å; V417-Y599 HydrophobicContact CG1-CD1 3.88Å; V417-Y599 HydrophobicContact CG1-CD2 4.35Å; V417-Y599 HydrophobicContact CG1-CE1 4Å; V417-Y599 HydrophobicContact CG1-CE2 4.47Å; V417-Y599 HydrophobicContact CG1-CG 4.06Å; Y418-Y599 HydrophobicContact CD1-CD2 4.41Å; Y418-Y599 AromaticContact CE1-CD2 3.79Å; Y418-Y599 HydrophobicContact CE1-CD2 3.79Å; L421-Y599 HydrophobicContact CD1-CD2 3.95Å; L421-Y599 HydrophobicContact CD1-CE2 3.24Å; L546-Y599 HydrophobicContact CD2-CE1 4.01Å; Y593-Y599 HydrophobicContact CD2-CD1 4.31Å; Y593-Y599 AromaticContact CD2-CE1 3.73Å; Y593-Y599 HydrophobicContact CD2-CE1 3.73Å; Y593-Y599 HydrophobicContact CD2-CE2 4.15Å; Y593-Y599 AromaticContact CD2-CZ 3.65Å; Y593-Y599 HydrophobicContact CE2-CD1 4.27Å; Y593-Y599 AromaticContact CE2-CD2 3.88Å; Y593-Y599 HydrophobicContact CE2-CD2 3.88Å; Y593-Y599 AromaticContact CE2-CE1 3.73Å; Y593-Y599 HydrophobicContact CE2-CE1 3.73Å; Y593-Y599 AromaticContact CE2-CE2 3.28Å; Y593-Y599 HydrophobicContact CE2-CE2 3.28Å; Y593-Y599 HydrophobicContact CE2-CG 4.34Å; Y593-Y599 AromaticContact CE2-CZ 3.2Å; Y593-Y599 WeakPolarHBondContact CE2-OH 3.41Å; Y593-Y599 AromaticContact CZ-CE2 3.74Å; Y593-Y599 AromaticContact CZ-CZ 3.75Å; Y599-I601 PolarHBondContact O-N 2.63Å; Y599-I602 PolarHBondContact O-N 2.97Å; Y599-I603 HydrophobicContact CD1-CD1 4.45Å; Y599-I603 HydrophobicContact CD1-CG1 4.41Å; Y599-I603 WeakPolarHBondContact O-CB 3.47Å; Y599-I603 WeakPolarHBondContact O-CG1 3.45Å; Y599-I603 PolarHBondContact O-N 3.46Å
600	D	95.3	Very high	94	Very high	57 Å²	57	32.6 Å²	32.6	31%	0.305	17%	0.174	S	C	.	.	H	α-helix	trans	-61.6	-23	173.1	-60	-51.3	0	0	0	111.5	Y418 P426 N598 P604	Y418-D600 WeakPolarHBondContact CE2-OD1 3.13Å; Y418-D600 PolarHBondContact OH-N 2.8Å; Y418-D600 PolarHBondContact OH-OD2 2.87Å; P426-D600 VanDerWaalsContact CD-OD2 3.3Å; P426-D600 WeakPolarHBondContact CD-OD2 3.31Å; N598-D600 WeakPolarHBondContact OD1-CA 3.46Å; N598-D600 VanDerWaalsContact OD1-CB 3.27Å; N598-D600 WeakPolarHBondContact OD1-CB 3.44Å; N598-D600 PolarHBondContact OD1-N 3.34Å; D600-P604 WeakPolarHBondContact O-CD 3.48Å; D600-P604 WeakPolarHBondContact O-CG 3.46Å
601	I	95.5	Very high	94.1	Very high	67 Å²	67	30.5 Å²	30.5	34%	0.344	17%	0.165	S	C	.	.	H	α-helix	trans	-96.2	-49.2	172.7	-62.7	174.1	0	0	0	111.3	M596 N598 Y599 I603 P604 V605	M596-I601 HydrophobicContact SD-CD1 3.89Å; N598-I601 HydrophobicContact CB-CB 4.48Å; N598-I601 HydrophobicContact CB-CD1 4.33Å; N598-I601 HydrophobicContact CB-CG1 4.48Å; N598-I601 WeakPolarHBondContact ND2-CD1 3.18Å; N598-I601 PolarHBondContact O-N 3.31Å; N598-I601 PolarHBondContact OD1-N 3.01Å; Y599-I601 PolarHBondContact O-N 2.63Å; I601-I603 PolarHBondContact O-N 3.46Å; I601-P604 WeakPolarHBondContact O-CD 3.38Å; I601-V605 WeakPolarHBondContact O-CG2 3.37Å; I601-V605 PolarHBondContact O-N 3.35Å
602	I	96.5	Very high	94.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.8	-41.2	-174.4	-76.4	173	0	0	0	112.4	L589 T592 Y593 M596 N598 Y599 V605 L606 L614 C618	L589-I602 HydrophobicContact CD1-CG2 3.92Å; T592-I602 HydrophobicContact CG2-CD1 4.01Å; T592-I602 HydrophobicContact CG2-CG1 4.24Å; Y593-I602 HydrophobicContact CD2-CD1 4.05Å; M596-I602 WeakPolarHBondContact O-CD1 3.41Å; N598-I602 PolarHBondContact O-N 3.31Å; Y599-I602 PolarHBondContact O-N 2.97Å; I602-V605 PolarHBondContact O-N 2.82Å; I602-L606 WeakPolarHBondContact O-CB 3.49Å; I602-L606 PolarHBondContact O-N 3.41Å; I602-L614 HydrophobicContact CG2-CD1 4.48Å; I602-L614 HydrophobicContact CG2-CD2 4.15Å; I602-C618 HydrophobicContact CG1-CB 4.36Å
603	I	97	Very high	94.4	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-47	-174.8	-61.5	-65	0	0	0	112.1	L413 L414 V417 L549 Y599 I601 V605 L606 L607	L413-I603 HydrophobicContact CB-CG2 4.38Å; L413-I603 HydrophobicContact CD2-CG2 3.95Å; L413-I603 HydrophobicContact CG-CG2 4.13Å; L414-I603 HydrophobicContact CB-CG2 4.21Å; L414-I603 HydrophobicContact CD1-CB 4.1Å; L414-I603 HydrophobicContact CD1-CG1 3.9Å; V417-I603 HydrophobicContact CG2-CD1 4.33Å; L549-I603 HydrophobicContact CD1-CD1 4.3Å; L549-I603 HydrophobicContact CD2-CD1 3.68Å; Y599-I603 HydrophobicContact CD1-CD1 4.45Å; Y599-I603 HydrophobicContact CD1-CG1 4.41Å; Y599-I603 WeakPolarHBondContact O-CB 3.47Å; Y599-I603 WeakPolarHBondContact O-CG1 3.45Å; Y599-I603 PolarHBondContact O-N 3.46Å; I601-I603 PolarHBondContact O-N 3.46Å; I603-V605 VanDerWaalsContact C-N 3.34Å; I603-V605 PolarHBondContact O-N 2.77Å; I603-L606 PolarHBondContact O-N 3.29Å; I603-L607 HydrophobicContact CG2-CD1 3.87Å; I603-L607 HydrophobicContact CG2-CG 4.27Å; I603-L607 WeakPolarHBondContact O-CB 3.45Å; I603-L607 VanDerWaalsContact O-CG 3.32Å; I603-L607 WeakPolarHBondContact O-CG 3.44Å; I603-L607 PolarHBondContact O-N 3.37Å
604	P	96.4	Very high	94.3	Very high	67 Å²	67	34.5 Å²	34.5	44%	0.435	19%	0.187	S	C	.	.	H	α-helix	trans	-60.1	-38.3	174.2	-27.8	37.2	0	0	0	114.1	D600 I601 K608	D600-P604 WeakPolarHBondContact O-CD 3.48Å; D600-P604 WeakPolarHBondContact O-CG 3.46Å; I601-P604 WeakPolarHBondContact O-CD 3.38Å; P604-K608 WeakPolarHBondContact O-CB 3.16Å; P604-K608 PolarHBondContact O-N 3.49Å; P604-K608 VanDerWaalsContact O-N 3.16Å
605	V	96.4	Very high	94.4	Very high	30 Å²	30	36.8 Å²	36.8	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-46.2	175.8	174.9	0	0	0	0	110.7	I601 I602 I603 L607 K608 A609 L614 H617	I601-V605 WeakPolarHBondContact O-CG2 3.37Å; I601-V605 PolarHBondContact O-N 3.35Å; I602-V605 PolarHBondContact O-N 2.82Å; I603-V605 VanDerWaalsContact C-N 3.34Å; I603-V605 PolarHBondContact O-N 2.77Å; V605-L607 VanDerWaalsContact C-N 3.33Å; V605-L607 PolarHBondContact O-N 2.97Å; V605-K608 PolarHBondContact O-N 3.22Å; V605-K608 VanDerWaalsContact O-N 3.15Å; V605-A609 PolarHBondContact O-N 2.7Å; V605-L614 HydrophobicContact CB-CD2 4.13Å; V605-L614 HydrophobicContact CG1-CD2 3.76Å; V605-H617 HydrophobicContact CG1-CB 3.63Å; V605-H617 HydrophobicContact CG2-CB 4.32Å
606	L	95.9	Very high	94.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-41.4	178.8	179.7	54	0	0	0	112	L549 V553 P558 I602 I603 K608 G610 I611 L614	L549-L606 HydrophobicContact CD1-CD2 4.35Å; L549-L606 HydrophobicContact CD2-CD2 4.42Å; L549-L606 HydrophobicContact CG-CD2 4.3Å; V553-L606 HydrophobicContact CB-CD1 4.31Å; V553-L606 HydrophobicContact CG1-CD1 4.32Å; V553-L606 HydrophobicContact CG1-CD2 3.92Å; V553-L606 HydrophobicContact CG1-CG 4.07Å; V553-L606 HydrophobicContact CG2-CD1 3.99Å; V553-L606 HydrophobicContact CG2-CD2 4.36Å; P558-L606 VanDerWaalsContact CG-O 3.31Å; P558-L606 WeakPolarHBondContact CG-O 3.42Å; I602-L606 WeakPolarHBondContact O-CB 3.49Å; I602-L606 PolarHBondContact O-N 3.41Å; I603-L606 PolarHBondContact O-N 3.29Å; L606-K608 VanDerWaalsContact C-N 3.34Å; L606-K608 PolarHBondContact O-N 3.28Å; L606-G610 WeakPolarHBondContact O-CA 3.49Å; L606-G610 PolarHBondContact O-N 3.26Å; L606-G610 VanDerWaalsContact O-N 3.13Å; L606-I611 HydrophobicContact CD1-CB 3.84Å; L606-I611 HydrophobicContact CD1-CG1 4.41Å; L606-L614 HydrophobicContact CB-CD2 4.31Å; L606-L614 HydrophobicContact CD1-CD1 4.07Å; L606-L614 HydrophobicContact CD1-CG 4.49Å
607	L	95.5	Very high	94.4	Very high	42 Å²	42	47.9 Å²	47.9	22%	0.22	25%	0.251	C	S	.	.	H	α-helix	trans	-67	-30.8	175.9	-73.9	173.2	0	0	0	113.5	L406 P410 L413 P558 I603 V605	L406-L607 HydrophobicContact CD2-CD2 3.74Å; P410-L607 HydrophobicContact CB-CD2 4.22Å; L413-L607 HydrophobicContact CD2-CD1 4.45Å; L413-L607 HydrophobicContact CD2-CD2 3.84Å; L413-L607 HydrophobicContact CD2-CG 4.24Å; P558-L607 HydrophobicContact CB-CD2 3.92Å; I603-L607 HydrophobicContact CG2-CD1 3.87Å; I603-L607 HydrophobicContact CG2-CG 4.27Å; I603-L607 WeakPolarHBondContact O-CB 3.45Å; I603-L607 VanDerWaalsContact O-CG 3.32Å; I603-L607 WeakPolarHBondContact O-CG 3.44Å; I603-L607 PolarHBondContact O-N 3.37Å; V605-L607 VanDerWaalsContact C-N 3.33Å; V605-L607 PolarHBondContact O-N 2.97Å
608	K	94.5	Very high	94.4	Very high	195 Å²	195	47.7 Å²	47.7	85%	0.848	25%	0.249	S	C	*	.	H	α-helix	trans	-94.5	-37.6	-174.9	-176.5	178.2	177.5	-177.9	0	114.3	P604 V605 L606	P604-K608 WeakPolarHBondContact O-CB 3.16Å; P604-K608 PolarHBondContact O-N 3.49Å; P604-K608 VanDerWaalsContact O-N 3.16Å; V605-K608 PolarHBondContact O-N 3.22Å; V605-K608 VanDerWaalsContact O-N 3.15Å; L606-K608 VanDerWaalsContact C-N 3.34Å; L606-K608 PolarHBondContact O-N 3.28Å
609	A	93	Very high	94.2	Very high	36 Å²	36	52.8 Å²	52.8	30%	0.298	27%	0.271	S	S	.	.	H	α-helix	trans	-119.1	-6.7	-169.7	0	0	0	0	0	113.8	V605 Q613	V605-A609 PolarHBondContact O-N 2.7Å; A609-Q613 HydrophobicContact CB-CB 4Å; A609-Q613 HydrophobicContact CB-CG 4.44Å; A609-Q613 VanDerWaalsContact O-CG 3.27Å; A609-Q613 WeakPolarHBondContact O-CG 3.48Å
610	G	93.4	Very high	94	Very high	19 Å²	19	53 Å²	53	20%	0.196	27%	0.272	C	S	.	.			trans	76.2	172.8	-177.7	0	0	0	0	0	113.9	L606 D612	L606-G610 WeakPolarHBondContact O-CA 3.49Å; L606-G610 PolarHBondContact O-N 3.26Å; L606-G610 VanDerWaalsContact O-N 3.13Å; G610-D612 PolarHBondContact O-N 2.91Å
611	I	94.1	Very high	93.8	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.067	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-68.2	-35.9	-172.2	-168.4	150.7	0	0	0	113	V553 K585 I588 L589 L606 Q613 L614	V553-I611 HydrophobicContact CG2-CB 4.25Å; V553-I611 HydrophobicContact CG2-CD1 3.68Å; K585-I611 HydrophobicContact CB-CD1 4.01Å; K585-I611 HydrophobicContact CB-CG1 4.42Å; K585-I611 HydrophobicContact CB-CG2 4.36Å; K585-I611 HydrophobicContact CD-CG2 4.33Å; K585-I611 HydrophobicContact CG-CG2 4.37Å; K585-I611 WeakPolarHBondContact O-CD1 3.05Å; I588-I611 WeakPolarHBondContact CG2-O 3.32Å; L589-I611 HydrophobicContact CB-CD1 4.02Å; L606-I611 HydrophobicContact CD1-CB 3.84Å; L606-I611 HydrophobicContact CD1-CG1 4.41Å; I611-Q613 VanDerWaalsContact C-N 3.32Å; I611-Q613 PolarHBondContact O-N 3.34Å; I611-L614 HydrophobicContact CG1-CD1 4.33Å; I611-L614 WeakPolarHBondContact O-CB 3.32Å; I611-L614 PolarHBondContact O-N 3.23Å
612	D	94.1	Very high	93.8	Very high	79 Å²	79	51.1 Å²	51.1	42%	0.422	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-72.5	-20.5	-175.7	-66.1	-60.7	0	0	0	114.6	K585 G610	K585-D612 WeakPolarHBondContact CD-OD1 3.47Å; K585-D612 VanDerWaalsContact CE-OD1 3.31Å; K585-D612 WeakPolarHBondContact CE-OD1 3.47Å; K585-D612 IonicContact NZ-OD1 2.76Å; K585-D612 PolarHBondContact NZ-OD1 2.68Å; K585-D612 IonicContact NZ-OD2 3.2Å; G610-D612 PolarHBondContact O-N 2.91Å
613	Q	94	Very high	93.7	Very high	71 Å²	71	51.3 Å²	51.3	33%	0.332	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-93.1	-7.1	176.9	-50.2	-57.6	-26.6	0	0	112.6	A609 I611 K616 H617	A609-Q613 HydrophobicContact CB-CB 4Å; A609-Q613 HydrophobicContact CB-CG 4.44Å; A609-Q613 VanDerWaalsContact O-CG 3.27Å; A609-Q613 WeakPolarHBondContact O-CG 3.48Å; I611-Q613 VanDerWaalsContact C-N 3.32Å; I611-Q613 PolarHBondContact O-N 3.34Å; Q613-K616 WeakPolarHBondContact O-CB 3.19Å; Q613-K616 PolarHBondContact O-N 2.91Å; Q613-H617 PolarHBondContact O-CD2 2.83Å
614	L	92.8	Very high	93.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-50.6	-49.6	-177.1	-88.9	176.2	0	0	0	113.5	L589 T592 I602 V605 L606 I611 K616 H617 C618	L589-L614 HydrophobicContact CD1-CD1 3.64Å; T592-L614 HydrophobicContact CG2-CB 4.03Å; T592-L614 HydrophobicContact CG2-CD2 4.34Å; I602-L614 HydrophobicContact CG2-CD1 4.48Å; I602-L614 HydrophobicContact CG2-CD2 4.15Å; V605-L614 HydrophobicContact CB-CD2 4.13Å; V605-L614 HydrophobicContact CG1-CD2 3.76Å; L606-L614 HydrophobicContact CB-CD2 4.31Å; L606-L614 HydrophobicContact CD1-CD1 4.07Å; L606-L614 HydrophobicContact CD1-CG 4.49Å; I611-L614 HydrophobicContact CG1-CD1 4.33Å; I611-L614 WeakPolarHBondContact O-CB 3.32Å; I611-L614 PolarHBondContact O-N 3.23Å; L614-K616 PolarHBondContact O-N 3.45Å; L614-H617 PolarHBondContact O-N 2.72Å; L614-H617 VanDerWaalsContact O-N 3.08Å; L614-C618 WeakPolarHBondContact O-CB 3.44Å; L614-C618 PolarHBondContact O-N 3.13Å
615	P	92	Very high	93.5	Very high	55 Å²	55	48.8 Å²	48.8	36%	0.357	25%	0.251	S	S	.	.	H	α-helix	trans	-66.2	-12.2	-178.1	-21.9	34.6	0	0	0	115	I588 K619	I588-P615 HydrophobicContact CG2-CG 3.76Å; P615-K619 WeakPolarHBondContact O-CG 3.26Å
616	K	91.6	Very high	93.3	Very high	134 Å²	134	47.4 Å²	47.4	58%	0.583	24%	0.243	S	C	*	.	H	α-helix	trans	-84	-30.2	175.5	-60.1	-179	-172.9	167.3	0	112.1	Q613 L614 K619	Q613-K616 WeakPolarHBondContact O-CB 3.19Å; Q613-K616 PolarHBondContact O-N 2.91Å; L614-K616 PolarHBondContact O-N 3.45Å; K616-K619 WeakPolarHBondContact O-CE 3.37Å
617	H	92.1	Very high	92.9	Very high	118 Å²	118	50.1 Å²	50.1	55%	0.546	25%	0.253	S	S	.	.	H	α-helix	trans	-103.1	-33.5	-175.7	-64.5	-63.5	0	0	0	113.2	V605 Q613 L614	V605-H617 HydrophobicContact CG1-CB 3.63Å; V605-H617 HydrophobicContact CG2-CB 4.32Å; Q613-H617 PolarHBondContact O-CD2 2.83Å; L614-H617 PolarHBondContact O-N 2.72Å; L614-H617 VanDerWaalsContact O-N 3.08Å
618	C	91.8	Very high	92.7	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.02	25%	0.246	C	C	.	.	S	Bend	trans	-112.8	97.8	-178.8	-64.1	0	0	0	0	108.5	T592 M596 I602 L614	T592-C618 HydrophobicContact CG2-CB 3.35Å; M596-C618 HydrophobicContact CB-CB 4.48Å; M596-C618 HydrophobicContact CG-CB 4.32Å; I602-C618 HydrophobicContact CG1-CB 4.36Å; L614-C618 WeakPolarHBondContact O-CB 3.44Å; L614-C618 PolarHBondContact O-N 3.13Å
619	K	89.7	Confident	92.6	Very high	119 Å²	119	39.3 Å²	39.3	52%	0.517	21%	0.205	S	C	.	.			trans	-119.2	170	179.7	-61.3	-179.2	-177.5	-179.9	0	109.9	M596 P615 K616 T621	M596-K619 WeakPolarHBondContact CE-O 3.41Å; P615-K619 WeakPolarHBondContact O-CG 3.26Å; K616-K619 WeakPolarHBondContact O-CE 3.37Å; K619-T621 PolarHBondContact O-N 3.37Å; K619-T621 PolarHBondContact O-OG1 3.15Å
620	L	91.9	Very high	92.6	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	20%	0.202	C	C	.	.			trans	-58	126.4	163.6	175.1	57.6	0	0	0	110.3	E595 L626 L749 Y750 V757	E595-L620 HydrophobicContact CB-CB 4.49Å; L620-L626 HydrophobicContact CD1-CB 4.16Å; L620-L626 HydrophobicContact CD1-CD2 3.74Å; L620-L626 HydrophobicContact CD1-CG 4.37Å; L620-L626 HydrophobicContact CD2-CD2 4.47Å; L620-L749 WeakPolarHBondContact CD2-O 3.41Å; L620-Y750 HydrophobicContact CD2-CD2 4.3Å; L620-Y750 HydrophobicContact CG-CD2 4.19Å; L620-V757 HydrophobicContact CD2-CG1 3.81Å
621	T	92.4	Very high	92.5	Very high	69 Å²	69	39.4 Å²	39.4	42%	0.423	20%	0.198	S	C	.	.			trans	-136.4	129.2	-179.3	-56.1	0	0	0	0	110.1	K619 G623 V624	K619-T621 PolarHBondContact O-N 3.37Å; K619-T621 PolarHBondContact O-OG1 3.15Å; T621-G623 PolarHBondContact O-N 3.44Å; T621-V624 PolarHBondContact O-N 3.44Å
622	P	95.3	Very high	92.4	Very high	16 Å²	16	41.3 Å²	41.3	10%	0.104	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	138.3	173.3	-28.9	36.2	0	0	0	113.1	L665 V703 Y750	P622-L665 HydrophobicContact CB-CD1 4.28Å; P622-L665 HydrophobicContact CB-CG 4.1Å; P622-V703 HydrophobicContact CG-CG2 4.3Å; P622-Y750 HydrophobicContact CG-CD1 3.63Å; P622-Y750 HydrophobicContact CG-CE1 3.37Å; P622-Y750 HydrophobicContact CG-CG 4.31Å
623	G	93.9	Very high	92.2	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.031	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-6.5	-175.8	0	0	0	0	0	115.7	T621 H663 R671	T621-G623 PolarHBondContact O-N 3.44Å; G623-H663 PolarHBondContact N-ND1 3.41Å; G623-H663 VanDerWaalsContact N-ND1 3.18Å; G623-R671 PolarHBondContact O-NH1 2.95Å
624	V	94.5	Very high	91.9	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.109	19%	0.185	C	C	.	.	S	Bend	trans	-116.3	120.8	162.1	-178	0	0	0	0	108.5	Y428 M596 T621 H663	Y428-V624 HydrophobicContact CE1-CG1 3.79Å; M596-V624 HydrophobicContact CE-CB 4.06Å; M596-V624 HydrophobicContact CE-CG1 4.14Å; M596-V624 HydrophobicContact CE-CG2 4.19Å; M596-V624 HydrophobicContact SD-CB 4.24Å; M596-V624 HydrophobicContact SD-CG1 3.75Å; M596-V624 HydrophobicContact SD-CG2 4.24Å; T621-V624 PolarHBondContact O-N 3.44Å; V624-H663 PolarHBondContact O-CE1 3.07Å
625	P	94	Very high	91.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-72.7	143.6	-178.9	28.6	-33.6	0	0	0	112.3	Y428 P597 Q661 F673 Q677	Y428-P625 HydrophobicContact CD1-CG 3.75Å; Y428-P625 HydrophobicContact CG-CG 4.09Å; P597-P625 WeakPolarHBondContact CD-O 3.47Å; P597-P625 WeakPolarHBondContact CG-O 3.27Å; P625-Q661 VanDerWaalsContact CB-OE1 3.29Å; P625-F673 HydrophobicContact CB-CB 3.74Å; P625-F673 HydrophobicContact CB-CD1 4.17Å; P625-F673 HydrophobicContact CB-CD2 3.6Å; P625-F673 HydrophobicContact CB-CE2 4.18Å; P625-F673 HydrophobicContact CB-CG 3.57Å; P625-F673 HydrophobicContact CG-CB 4.19Å; P625-F673 HydrophobicContact CG-CD1 3.79Å; P625-F673 HydrophobicContact CG-CD2 4.03Å; P625-F673 HydrophobicContact CG-CE1 4.12Å; P625-F673 HydrophobicContact CG-CE2 4.31Å; P625-F673 HydrophobicContact CG-CG 3.74Å; P625-F673 HydrophobicContact CG-CZ 4.36Å; P625-Q677 HydrophobicContact CB-CB 4.32Å; P625-Q677 HydrophobicContact CB-CG 4.03Å; P625-Q677 HydrophobicContact CG-CB 3.83Å; P625-Q677 HydrophobicContact CG-CG 3.95Å
626	L	92.3	Very high	91.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-93.3	158.6	170.2	71.1	156.2	0	0	0	111.3	L620 Q661 Q677 V703 L749 V757 Y819 I821	L620-L626 HydrophobicContact CD1-CB 4.16Å; L620-L626 HydrophobicContact CD1-CD2 3.74Å; L620-L626 HydrophobicContact CD1-CG 4.37Å; L620-L626 HydrophobicContact CD2-CD2 4.47Å; L626-Q661 HydrophobicContact CD2-CG 4.48Å; L626-Q661 PolarHBondContact O-NE2 2.89Å; L626-Q661 VanDerWaalsContact O-NE2 3.09Å; L626-Q661 PolarHBondContact O-OE1 2.83Å; L626-Q677 PolarHBondContact O-NE2 3.13Å; L626-V703 HydrophobicContact CD2-CG1 3.98Å; L626-L749 HydrophobicContact CD1-CD1 4.22Å; L626-L749 HydrophobicContact CD2-CD1 3.88Å; L626-L749 HydrophobicContact CG-CD1 4.47Å; L626-V757 HydrophobicContact CD1-CG1 4.24Å; L626-Y819 HydrophobicContact CD1-CD1 4.36Å; L626-Y819 HydrophobicContact CD1-CE1 3.93Å; L626-I821 HydrophobicContact CD1-CD1 4.15Å; L626-I821 HydrophobicContact CD1-CG1 4.23Å; L626-I821 HydrophobicContact CD1-CG2 4.08Å
627	R	88.9	Confident	91	Very high	58 Å²	58	34.6 Å²	34.6	22%	0.219	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-66.4	129.4	172.6	-68.1	-63.3	-154.1	-179.9	2.5	109.8	E542 C594 I821 A822	E542-R627 IonicContact OE1-CZ 2.82Å; E542-R627 IonicContact OE1-NE 3.89Å; E542-R627 IonicContact OE1-NH2 3.35Å; E542-R627 PolarHBondContact OE1-NH2 2.7Å; E542-R627 IonicContact OE2-NH2 2.69Å; E542-R627 PolarHBondContact OE2-NH2 2.84Å; C594-R627 PolarHBondContact O-N 3.13Å; R627-I821 HydrophobicContact CB-CG2 4.1Å; R627-I821 WeakPolarHBondContact O-CG2 3.49Å; R627-A822 HydrophobicContact CB-CB 3.62Å; R627-A822 HydrophobicContact CG-CB 4.11Å
628	P	91.5	Very high	90.7	Very high	9 Å²	9	31.6 Å²	31.6	6%	0.058	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-67.4	148.1	-179.2	24.7	-34.3	0	0	0	112.9	L630 R659 R675 Y819 A822	P628-L630 HydrophobicContact CG-CD2 4.33Å; P628-R659 VanDerWaalsContact CB-CZ 3.44Å; P628-R675 WeakPolarHBondContact CD-O 3.2Å; P628-R675 HydrophobicContact CG-CG 4Å; P628-R675 WeakPolarHBondContact CG-O 3.43Å; P628-Y819 WeakPolarHBondContact CA-OH 3.46Å; P628-A822 PolarHBondContact O-N 3.44Å
629	M	92.2	Very high	90.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-65.3	137.9	164.2	-174.5	172.9	-177.3	0	0	110	R659 Y819 E820 S825 N827 W828	M629-R659 PolarHBondContact O-NH1 3.02Å; M629-R659 PolarHBondContact O-NH2 2.89Å; M629-Y819 HydrophobicContact CB-CD1 4.1Å; M629-Y819 HydrophobicContact CB-CD2 4.05Å; M629-Y819 HydrophobicContact CB-CE1 3.71Å; M629-Y819 HydrophobicContact CB-CE2 3.69Å; M629-Y819 HydrophobicContact CB-CG 4.27Å; M629-Y819 PolarHBondContact N-OH 2.74Å; M629-Y819 HydrophobicContact SD-CD2 4.04Å; M629-Y819 HydrophobicContact SD-CG 4.22Å; M629-E820 HydrophobicContact CE-CB 3.98Å; M629-E820 HydrophobicContact CE-CG 4.17Å; M629-E820 HydrophobicContact CG-CB 4.47Å; M629-E820 HydrophobicContact SD-CB 4.38Å; M629-E820 PolarHBondContact SD-N 3.37Å; M629-S825 WeakPolarHBondContact CE-OG 3.25Å; M629-N827 HydrophobicContact CE-CB 4.26Å; M629-W828 HydrophobicContact CB-CE3 4.26Å; M629-W828 HydrophobicContact CB-CH2 4.3Å; M629-W828 HydrophobicContact CB-CZ3 4.11Å; M629-W828 HydrophobicContact CE-CB 4.31Å; M629-W828 VanDerWaalsContact CE-CD1 3.4Å; M629-W828 HydrophobicContact CE-CD2 4Å; M629-W828 HydrophobicContact CE-CG 3.66Å; M629-W828 HydrophobicContact CG-CD2 3.95Å; M629-W828 HydrophobicContact CG-CE3 3.99Å; M629-W828 HydrophobicContact CG-CG 4.41Å; M629-W828 HydrophobicContact CG-CZ3 4.33Å; M629-W828 HydrophobicContact SD-CD2 3.72Å; M629-W828 HydrophobicContact SD-CE3 4.3Å; M629-W828 HydrophobicContact SD-CG 4.06Å; M629-W828 HydrophobicContact SD-CH2 4.41Å; M629-W828 HydrophobicContact SD-CZ2 3.83Å
630	L	92.4	Very high	90.5	Very high	42 Å²	42	29.6 Å²	29.6	22%	0.22	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.7	-174.6	-53.9	-179.7	0	0	0	111.5	P628 K823 R824 S825	P628-L630 HydrophobicContact CG-CD2 4.33Å; L630-K823 WeakPolarHBondContact CB-O 3.38Å; L630-K823 PolarHBondContact N-O 3.41Å; L630-R824 HydrophobicContact CB-CB 4.26Å; L630-R824 WeakPolarHBondContact O-CA 3.27Å; L630-S825 PolarHBondContact O-N 2.89Å
631	A	91.2	Very high	90.3	Very high	15 Å²	15	31.6 Å²	31.6	12%	0.124	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	143.2	-177.9	0	0	0	0	0	113.8	M809 W828 K830	A631-M809 HydrophobicContact CB-CE 3.6Å; A631-M809 HydrophobicContact CB-SD 4.46Å; A631-W828 CarbonylContact C-O 3.54Å; A631-W828 WeakPolarHBondContact CA-O 2.99Å; A631-W828 HydrophobicContact CB-CB 3.89Å; A631-W828 WeakPolarHBondContact CB-O 3.41Å; A631-K830 HydrophobicContact CB-CB 4.18Å; A631-K830 HydrophobicContact CB-CG 3.92Å
632	H	91.5	Very high	90.2	Very high	52 Å²	52	37 Å²	37	24%	0.241	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	138.7	174.6	-157.5	-85.1	0	0	0	111.6	R824 H826 W828 L829 K830	H632-R824 HydrophobicContact CB-CG 4.36Å; H632-H826 AromaticContact CD2-NE2 3.85Å; H632-W828 PolarHBondContact N-O 3.32Å; H632-L829 HydrophobicContact CB-CD2 3.82Å; H632-L829 CarbonylContact O-C 3.55Å; H632-L829 WeakPolarHBondContact O-CA 3.14Å; H632-K830 WeakPolarHBondContact O-CG 3.17Å; H632-K830 PolarHBondContact O-N 3.32Å
633	P	90.6	Very high	89.8	Confident	46 Å²	46	42.6 Å²	42.6	30%	0.299	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	143.4	168.7	29.4	-35	0	0	0	111.6	Y835	P633-Y835 HydrophobicContact CB-CD2 4.07Å; P633-Y835 HydrophobicContact CB-CE2 3.67Å
634	T	88.5	Confident	89.5	Confident	2 Å²	2	43 Å²	43	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136.3	-179	-59.2	0	0	0	0	109.3	E639 V640 L829 K830	T634-E639 HydrophobicContact CG2-CB 3.73Å; T634-E639 HydrophobicContact CG2-CG 3.9Å; T634-V640 HydrophobicContact CG2-CG2 3.72Å; T634-L829 HydrophobicContact CG2-CD1 4.42Å; T634-K830 PolarHBondContact N-O 3.39Å
635	K	85.6	Confident	89	Confident	111 Å²	111	47.8 Å²	47.8	48%	0.483	24%	0.244	S	C	.	.	S	Bend	trans	-91	-5.6	-170.1	-76.7	170.9	147.8	-83.5	0	115.1	E639 L836 D837	K635-E639 WeakPolarHBondContact CB-OE2 3.37Å; K635-E639 PolarHBondContact N-OE2 2.91Å; K635-L836 VanDerWaalsContact O-CD2 3.24Å; K635-L836 WeakPolarHBondContact O-CD2 3.31Å; K635-D837 IonicContact NZ-OD1 2.77Å; K635-D837 PolarHBondContact NZ-OD1 2.95Å; K635-D837 IonicContact NZ-OD2 2.82Å; K635-D837 PolarHBondContact NZ-OD2 3.3Å
636	G	84.6	Confident	88.5	Confident	17 Å²	17	56.2 Å²	56.2	18%	0.175	28%	0.284	C	S	.	.			trans	177.5	164.1	178.8	0	0	0	0	0	113.8	G638 E639 V640	G636-G638 VanDerWaalsContact C-N 3.29Å; G636-G638 PolarHBondContact O-N 2.93Å; G636-E639 WeakPolarHBondContact O-CB 3.4Å; G636-E639 PolarHBondContact O-N 2.89Å; G636-V640 PolarHBondContact O-N 3.23Å
637	V	85.9	Confident	88.4	Confident	22 Å²	22	56.6 Å²	56.6	13%	0.133	29%	0.287	C	S	.	.	H	α-helix	trans	-58.1	-40.4	179.6	-175.6	0	0	0	0	111.6	E639 V640 M641 T790 I793 L831	V637-E639 PolarHBondContact O-N 3.28Å; V637-V640 WeakPolarHBondContact O-CA 3.37Å; V637-V640 VanDerWaalsContact O-CB 3.3Å; V637-V640 WeakPolarHBondContact O-CB 3.12Å; V637-V640 PolarHBondContact O-N 3.22Å; V637-M641 HydrophobicContact CG1-CG 4.47Å; V637-M641 WeakPolarHBondContact O-CG 3.35Å; V637-M641 PolarHBondContact O-N 2.93Å; V637-T790 HydrophobicContact CG1-CG2 4.04Å; V637-I793 HydrophobicContact CG1-CB 4.04Å; V637-I793 HydrophobicContact CG1-CD1 4.28Å; V637-I793 HydrophobicContact CG1-CG2 3.85Å; V637-I793 HydrophobicContact CG2-CG2 3.94Å; V637-L831 HydrophobicContact CG2-CD2 3.83Å
638	G	86.4	Confident	88.7	Confident	56 Å²	56	55.3 Å²	55.3	58%	0.577	29%	0.289	S	S	*	.	H	α-helix	trans	-62.3	-25.3	176.5	0	0	0	0	0	114.6	G636 K642	G636-G638 VanDerWaalsContact C-N 3.29Å; G636-G638 PolarHBondContact O-N 2.93Å; G638-K642 WeakPolarHBondContact O-CB 3.11Å; G638-K642 PolarHBondContact O-N 3.16Å; G638-K642 VanDerWaalsContact O-N 3.12Å
639	E	88.3	Confident	88.9	Confident	79 Å²	79	55 Å²	55	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-77.1	-36.4	173	-169	-165.6	149.8	0	0	111.1	T634 K635 G636 V637 K642 R643	T634-E639 HydrophobicContact CG2-CB 3.73Å; T634-E639 HydrophobicContact CG2-CG 3.9Å; K635-E639 WeakPolarHBondContact CB-OE2 3.37Å; K635-E639 PolarHBondContact N-OE2 2.91Å; G636-E639 WeakPolarHBondContact O-CB 3.4Å; G636-E639 PolarHBondContact O-N 2.89Å; V637-E639 PolarHBondContact O-N 3.28Å; E639-K642 PolarHBondContact O-N 3.2Å; E639-R643 VanDerWaalsContact O-CB 3.28Å; E639-R643 WeakPolarHBondContact O-CB 3.37Å; E639-R643 PolarHBondContact O-N 3.32Å
640	V	88.9	Confident	89.1	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-53.1	170.6	178.8	0	0	0	0	110.1	T634 G636 V637 K642 R643 F644 F649 V810 L829 L831	T634-V640 HydrophobicContact CG2-CG2 3.72Å; G636-V640 PolarHBondContact O-N 3.23Å; V637-V640 WeakPolarHBondContact O-CA 3.37Å; V637-V640 VanDerWaalsContact O-CB 3.3Å; V637-V640 WeakPolarHBondContact O-CB 3.12Å; V637-V640 PolarHBondContact O-N 3.22Å; V640-K642 VanDerWaalsContact C-N 3.34Å; V640-K642 PolarHBondContact O-N 3.03Å; V640-R643 PolarHBondContact O-N 3.34Å; V640-F644 HydrophobicContact CG1-CD2 3.77Å; V640-F644 HydrophobicContact CG1-CE2 3.99Å; V640-F644 PolarHBondContact O-N 3.34Å; V640-F649 HydrophobicContact CG1-CE2 4.49Å; V640-F649 HydrophobicContact CG1-CZ 4.35Å; V640-V810 HydrophobicContact CG1-CB 4.26Å; V640-V810 HydrophobicContact CG1-CG1 3.86Å; V640-V810 HydrophobicContact CG1-CG2 4.25Å; V640-V810 HydrophobicContact CG2-CG2 4.29Å; V640-L829 HydrophobicContact CB-CD1 4.33Å; V640-L829 HydrophobicContact CG1-CD1 4.26Å; V640-L829 HydrophobicContact CG2-CD1 4.12Å; V640-L831 HydrophobicContact CG2-CD2 4.48Å
641	M	88.7	Confident	89.4	Confident	47 Å²	47	53 Å²	53	23%	0.232	28%	0.276	C	S	.	.	H	α-helix	trans	-58.5	-45.8	180	-60.3	-49.7	-67.5	0	0	111.4	V637 R643 D645 F649 H788 T790 I793	V637-M641 HydrophobicContact CG1-CG 4.47Å; V637-M641 WeakPolarHBondContact O-CG 3.35Å; V637-M641 PolarHBondContact O-N 2.93Å; M641-R643 VanDerWaalsContact C-N 3.26Å; M641-R643 PolarHBondContact O-N 3.41Å; M641-D645 WeakPolarHBondContact O-CA 3.36Å; M641-D645 PolarHBondContact O-N 2.94Å; M641-F649 HydrophobicContact CE-CE1 4.33Å; M641-F649 HydrophobicContact CE-CZ 4.35Å; M641-F649 HydrophobicContact SD-CE1 3.96Å; M641-F649 HydrophobicContact SD-CZ 3.63Å; M641-H788 HydrophobicContact CE-CB 4.33Å; M641-H788 WeakPolarHBondContact CE-O 3.4Å; M641-T790 HydrophobicContact CG-CG2 3.91Å; M641-I793 HydrophobicContact SD-CD1 4.24Å
642	K	89.3	Confident	89.7	Confident	183 Å²	183	52.6 Å²	52.6	80%	0.796	27%	0.271	S	S	*	.	H	α-helix	trans	-64.6	-26.5	176.6	-175.7	179.4	175.7	-172	0	113.5	G638 E639 V640	G638-K642 WeakPolarHBondContact O-CB 3.11Å; G638-K642 PolarHBondContact O-N 3.16Å; G638-K642 VanDerWaalsContact O-N 3.12Å; E639-K642 PolarHBondContact O-N 3.2Å; V640-K642 VanDerWaalsContact C-N 3.34Å; V640-K642 PolarHBondContact O-N 3.03Å
643	R	87.7	Confident	90	Very high	133 Å²	133	50.5 Å²	50.5	50%	0.502	26%	0.261	S	S	.	.	H	α-helix	trans	-86.3	-33	-177.5	-171.4	68.4	-143.1	-158	3.6	113.1	E639 V640 M641 H826 L829	E639-R643 VanDerWaalsContact O-CB 3.28Å; E639-R643 WeakPolarHBondContact O-CB 3.37Å; E639-R643 PolarHBondContact O-N 3.32Å; V640-R643 PolarHBondContact O-N 3.34Å; M641-R643 VanDerWaalsContact C-N 3.26Å; M641-R643 PolarHBondContact O-N 3.41Å; R643-H826 HydrophobicContact CG-CB 4.43Å; R643-H826 PolarHBondContact NH1-CD2 3.04Å; R643-H826 VanDerWaalsContact NH1-CD2 3.3Å; R643-H826 PolarHBondContact NH1-NE2 2.97Å; R643-L829 HydrophobicContact CB-CD1 4.24Å; R643-L829 HydrophobicContact CG-CD1 4.29Å
644	F	87.2	Confident	90.3	Very high	13 Å²	13	50.2 Å²	50.2	6%	0.057	26%	0.255	C	S	.	.	H	α-helix	trans	-97.5	-23.4	179.3	-65.3	-35.2	0	0	0	114.1	V640 E646 A647 F649 V810 T812 H826 L829	V640-F644 HydrophobicContact CG1-CD2 3.77Å; V640-F644 HydrophobicContact CG1-CE2 3.99Å; V640-F644 PolarHBondContact O-N 3.34Å; F644-E646 PolarHBondContact O-N 3Å; F644-A647 HydrophobicContact CB-CB 4.43Å; F644-A647 WeakPolarHBondContact O-CB 3.44Å; F644-A647 PolarHBondContact O-N 3.17Å; F644-F649 HydrophobicContact CB-CD1 3.85Å; F644-F649 HydrophobicContact CB-CE1 4.33Å; F644-F649 HydrophobicContact CD2-CB 3.98Å; F644-F649 AromaticContact CD2-CD1 3.63Å; F644-F649 HydrophobicContact CD2-CD1 3.63Å; F644-F649 HydrophobicContact CD2-CE1 4.26Å; F644-F649 AromaticContact CD2-CG 3.83Å; F644-F649 HydrophobicContact CD2-CG 3.83Å; F644-F649 HydrophobicContact CE2-CB 4.27Å; F644-F649 HydrophobicContact CE2-CG 4.39Å; F644-F649 HydrophobicContact CG-CD1 4.14Å; F644-V810 HydrophobicContact CD2-CG1 4.28Å; F644-V810 HydrophobicContact CE2-CB 4.08Å; F644-V810 HydrophobicContact CE2-CG1 3.69Å; F644-T812 HydrophobicContact CD1-CG2 3.47Å; F644-T812 VanDerWaalsContact CD1-CG2 3.47Å; F644-T812 HydrophobicContact CE1-CG2 3.47Å; F644-T812 VanDerWaalsContact CE1-CG2 3.47Å; F644-T812 HydrophobicContact CG-CG2 4.09Å; F644-T812 HydrophobicContact CZ-CG2 4.06Å; F644-H826 WeakPolarHBondContact CE1-O 3.31Å; F644-L829 HydrophobicContact CD2-CD1 4.39Å; F644-L829 HydrophobicContact CE1-CD1 4.3Å; F644-L829 HydrophobicContact CE1-CG 4.35Å; F644-L829 HydrophobicContact CE2-CD1 3.72Å; F644-L829 HydrophobicContact CE2-CG 4.07Å; F644-L829 HydrophobicContact CZ-CD1 3.69Å; F644-L829 HydrophobicContact CZ-CG 3.64Å
645	D	83.8	Confident	90.7	Very high	118 Å²	118	50.8 Å²	50.8	63%	0.631	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	-124.8	173.4	-163.8	46.4	0	0	0	110.4	M641 A647	M641-D645 WeakPolarHBondContact O-CA 3.36Å; M641-D645 PolarHBondContact O-N 2.94Å; D645-A647 VanDerWaalsContact C-N 3.25Å; D645-A647 PolarHBondContact O-N 3.39Å
646	E	84.1	Confident	91.1	Very high	177 Å²	177	45.8 Å²	45.8	83%	0.827	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.8	176.4	-58.8	-174.8	146.6	0	0	115	F644	F644-E646 PolarHBondContact O-N 3Å
647	A	89.8	Confident	91.6	Very high	8 Å²	8	45.5 Å²	45.5	7%	0.066	23%	0.233	C	C	.	.			trans	-76.7	128.3	-174.9	0	0	0	0	0	113	F644 D645 F649 T812 K815	F644-A647 HydrophobicContact CB-CB 4.43Å; F644-A647 WeakPolarHBondContact O-CB 3.44Å; F644-A647 PolarHBondContact O-N 3.17Å; D645-A647 VanDerWaalsContact C-N 3.25Å; D645-A647 PolarHBondContact O-N 3.39Å; A647-F649 WeakPolarHBondContact O-CD1 3.33Å; A647-F649 PolarHBondContact O-N 2.94Å; A647-T812 HydrophobicContact CB-CG2 4.43Å; A647-K815 HydrophobicContact CB-CB 4.28Å; A647-K815 HydrophobicContact CB-CD 4.25Å
648	A	94.1	Very high	92	Very high	31 Å²	31	46.4 Å²	46.4	26%	0.256	24%	0.236	S	C	.	.			trans	-57.6	129.1	170.4	0	0	0	0	0	111.6	L813	A648-L813 HydrophobicContact CB-CB 4.39Å; A648-L813 PolarHBondContact O-N 2.91Å
649	F	95.9	Very high	92.6	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	161.4	179	65.6	-104.7	0	0	0	112.5	V640 M641 F644 A647 S787 H788 I793 V810 K811	V640-F649 HydrophobicContact CG1-CE2 4.49Å; V640-F649 HydrophobicContact CG1-CZ 4.35Å; M641-F649 HydrophobicContact CE-CE1 4.33Å; M641-F649 HydrophobicContact CE-CZ 4.35Å; M641-F649 HydrophobicContact SD-CE1 3.96Å; M641-F649 HydrophobicContact SD-CZ 3.63Å; F644-F649 HydrophobicContact CB-CD1 3.85Å; F644-F649 HydrophobicContact CB-CE1 4.33Å; F644-F649 HydrophobicContact CD2-CB 3.98Å; F644-F649 AromaticContact CD2-CD1 3.63Å; F644-F649 HydrophobicContact CD2-CD1 3.63Å; F644-F649 HydrophobicContact CD2-CE1 4.26Å; F644-F649 AromaticContact CD2-CG 3.83Å; F644-F649 HydrophobicContact CD2-CG 3.83Å; F644-F649 HydrophobicContact CE2-CB 4.27Å; F644-F649 HydrophobicContact CE2-CG 4.39Å; F644-F649 HydrophobicContact CG-CD1 4.14Å; A647-F649 WeakPolarHBondContact O-CD1 3.33Å; A647-F649 PolarHBondContact O-N 2.94Å; F649-S787 WeakPolarHBondContact CE2-O 3.43Å; F649-S787 WeakPolarHBondContact CZ-O 3.24Å; F649-H788 AromaticContact CE1-ND1 3.91Å; F649-I793 HydrophobicContact CE2-CD1 3.79Å; F649-I793 HydrophobicContact CZ-CD1 3.82Å; F649-V810 HydrophobicContact CB-CG1 4.27Å; F649-V810 HydrophobicContact CD2-CG1 3.35Å; F649-V810 HydrophobicContact CE2-CG1 3.87Å; F649-V810 HydrophobicContact CG-CG1 3.97Å; F649-K811 CarbonylContact C-O 3.59Å; F649-K811 WeakPolarHBondContact CA-O 3.43Å; F649-K811 VanDerWaalsContact CB-O 3.25Å; F649-K811 WeakPolarHBondContact CB-O 3.28Å
650	T	97.4	Very high	93	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.7	173.9	-171.7	0	0	0	0	110.4	L761 R765 I785 D786 V810 K811 L813	T650-L761 HydrophobicContact CG2-CD2 3.99Å; T650-R765 PolarHBondContact OG1-NH1 2.82Å; T650-R765 VanDerWaalsContact OG1-NH1 3.09Å; T650-I785 PolarHBondContact OG1-O 2.87Å; T650-D786 WeakPolarHBondContact CB-OD1 3.29Å; T650-D786 PolarHBondContact OG1-OD1 3.37Å; T650-V810 CarbonylContact O-C 3.6Å; T650-V810 WeakPolarHBondContact O-CA 3.33Å; T650-V810 WeakPolarHBondContact O-CG1 3.48Å; T650-K811 HydrophobicContact CG2-CB 4.06Å; T650-K811 HydrophobicContact CG2-CD 4.49Å; T650-K811 PolarHBondContact N-O 3.12Å; T650-K811 PolarHBondContact O-N 3.41Å; T650-L813 HydrophobicContact CG2-CD2 3.85Å; T650-L813 HydrophobicContact CG2-CG 4.29Å
651	C	97.6	Very high	93.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.6	169.5	-74.1	0	0	0	0	108.5	S784 I785 F796 L808 M809	C651-S784 CarbonylContact O-C 3.41Å; C651-S784 VanDerWaalsContact O-CA 3.26Å; C651-S784 WeakPolarHBondContact O-CA 3.47Å; C651-I785 HydrophobicContact CB-CG1 3.85Å; C651-I785 PolarHBondContact N-O 3.5Å; C651-I785 PolarHBondContact O-N 2.88Å; C651-F796 HydrophobicContact CB-CD1 4.08Å; C651-F796 HydrophobicContact CB-CE1 4.19Å; C651-F796 VanDerWaalsContact O-CE1 3.29Å; C651-F796 WeakPolarHBondContact O-CE1 3.41Å; C651-L808 HydrophobicContact CB-CD1 4.27Å; C651-M809 CarbonylContact C-O 3.56Å; C651-M809 WeakPolarHBondContact CA-O 3.21Å
652	E	98.3	Very high	93.9	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.028	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151	176.7	-74.2	172.4	-147.4	0	0	111.2	K654 F746 A782 R783 L808 M809 K811	E652-K654 PolarHBondContact O-N 3.06Å; E652-F746 WeakPolarHBondContact OE2-CB 3.29Å; E652-A782 HydrophobicContact CB-CB 4.38Å; E652-A782 HydrophobicContact CG-CB 4.29Å; E652-R783 CarbonylContact C-O 3.6Å; E652-R783 WeakPolarHBondContact CA-O 3.49Å; E652-L808 CarbonylContact O-C 3.22Å; E652-L808 WeakPolarHBondContact O-CA 3.48Å; E652-M809 HydrophobicContact CB-CB 4.42Å; E652-M809 PolarHBondContact N-O 2.84Å; E652-M809 PolarHBondContact O-N 2.74Å; E652-K811 WeakPolarHBondContact OE1-CE 3.41Å; E652-K811 IonicContact OE1-NZ 2.75Å; E652-K811 PolarHBondContact OE1-NZ 3.08Å; E652-K811 VanDerWaalsContact OE2-CE 3.31Å; E652-K811 WeakPolarHBondContact OE2-CE 3.39Å; E652-K811 IonicContact OE2-NZ 3.88Å; E652-K811 PolarHBondContact OE2-NZ 2.96Å
653	Y	98.2	Very high	94.3	Very high	8 Å²	8	30.8 Å²	30.8	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	129.6	171.1	-84.2	16.3	0	0	0	111.9	Y655 R783 F796 Q799 S800 D803 L808	Y653-Y655 HydrophobicContact CD2-CE1 4.44Å; Y653-Y655 VanDerWaalsContact O-CD2 3.24Å; Y653-Y655 WeakPolarHBondContact O-CD2 3.3Å; Y653-Y655 WeakPolarHBondContact O-CE2 3.41Å; Y653-Y655 PolarHBondContact O-N 3.39Å; Y653-R783 HydrophobicContact CD1-CB 4.42Å; Y653-R783 HydrophobicContact CD2-CB 4.03Å; Y653-R783 HydrophobicContact CE2-CB 4.34Å; Y653-R783 HydrophobicContact CE2-CG 4.41Å; Y653-R783 HydrophobicContact CG-CB 4.06Å; Y653-R783 PolarHBondContact N-O 3.28Å; Y653-R783 PolarHBondContact OH-NH1 2.89Å; Y653-F796 HydrophobicContact CD1-CD1 4.43Å; Y653-F796 AromaticContact CD1-CE1 3.65Å; Y653-F796 HydrophobicContact CD1-CE1 3.65Å; Y653-F796 HydrophobicContact CD1-CE2 4.01Å; Y653-F796 AromaticContact CD1-CZ 3.41Å; Y653-F796 HydrophobicContact CD1-CZ 3.41Å; Y653-F796 VanDerWaalsContact CD1-CZ 3.41Å; Y653-F796 HydrophobicContact CE1-CD1 4.23Å; Y653-F796 AromaticContact CE1-CD2 3.89Å; Y653-F796 HydrophobicContact CE1-CD2 3.89Å; Y653-F796 AromaticContact CE1-CE1 3.74Å; Y653-F796 HydrophobicContact CE1-CE1 3.74Å; Y653-F796 AromaticContact CE1-CE2 3.35Å; Y653-F796 HydrophobicContact CE1-CE2 3.35Å; Y653-F796 HydrophobicContact CE1-CG 4.29Å; Y653-F796 AromaticContact CE1-CZ 3.27Å; Y653-F796 HydrophobicContact CE1-CZ 3.27Å; Y653-Q799 WeakPolarHBondContact OH-CG 3.28Å; Y653-S800 VanDerWaalsContact CE1-CB 3.46Å; Y653-D803 HydrophobicContact CD2-CB 4.44Å; Y653-D803 HydrophobicContact CE2-CB 3.58Å; Y653-D803 VanDerWaalsContact CE2-OD2 3.27Å; Y653-D803 WeakPolarHBondContact CE2-OD2 3.16Å; Y653-D803 PolarHBondContact OH-OD2 2.98Å; Y653-L808 HydrophobicContact CD1-CD2 4.01Å; Y653-L808 HydrophobicContact CE1-CD2 4.47Å
654	K	97	Very high	94.8	Very high	40 Å²	40	24.9 Å²	24.9	17%	0.174	13%	0.127	C	C	.	.			trans	-90.3	83.9	171.3	-161.5	-167.4	176.3	-58.5	0	110.9	E652 C805 E806 G807 M809	E652-K654 PolarHBondContact O-N 3.06Å; K654-C805 WeakPolarHBondContact O-CB 3.23Å; K654-E806 HydrophobicContact CD-CB 4.3Å; K654-E806 VanDerWaalsContact CD-OE2 3.29Å; K654-E806 WeakPolarHBondContact CD-OE2 2.96Å; K654-E806 WeakPolarHBondContact CE-OE2 3.5Å; K654-E806 IonicContact NZ-OE2 3.96Å; K654-E806 PolarHBondContact NZ-OE2 3.14Å; K654-E806 PolarHBondContact O-N 3.07Å; K654-G807 WeakPolarHBondContact CA-O 3.38Å; K654-G807 VanDerWaalsContact CB-O 3.29Å; K654-G807 WeakPolarHBondContact CB-O 3.37Å; K654-G807 PolarHBondContact N-O 3.01Å; K654-M809 HydrophobicContact CB-CG 3.9Å; K654-M809 HydrophobicContact CB-SD 4.42Å; K654-M809 HydrophobicContact CD-CG 4.41Å; K654-M809 HydrophobicContact CD-SD 3.8Å; K654-M809 HydrophobicContact CG-CG 3.75Å; K654-M809 HydrophobicContact CG-SD 3.78Å
655	Y	96.8	Very high	95.2	Very high	14 Å²	14	25.6 Å²	25.6	6%	0.055	13%	0.132	C	C	.	.			trans	-52.9	149.5	173.1	-57.5	-82.6	0	0	0	113.6	Y653 V709 I718 Y744 A782 R783 C805	Y653-Y655 HydrophobicContact CD2-CE1 4.44Å; Y653-Y655 VanDerWaalsContact O-CD2 3.24Å; Y653-Y655 WeakPolarHBondContact O-CD2 3.3Å; Y653-Y655 WeakPolarHBondContact O-CE2 3.41Å; Y653-Y655 PolarHBondContact O-N 3.39Å; Y655-V709 HydrophobicContact CD1-CG2 4.4Å; Y655-V709 HydrophobicContact CG-CG2 4.32Å; Y655-I718 HydrophobicContact CD1-CD1 3.89Å; Y655-I718 HydrophobicContact CE1-CD1 4.02Å; Y655-Y744 HydrophobicContact CD1-CD1 4.1Å; Y655-Y744 AromaticContact CD1-CD2 3.81Å; Y655-Y744 HydrophobicContact CD1-CD2 3.81Å; Y655-Y744 HydrophobicContact CD1-CE1 4.27Å; Y655-Y744 AromaticContact CD1-CE2 3.99Å; Y655-Y744 HydrophobicContact CD1-CE2 3.99Å; Y655-Y744 AromaticContact CD1-CG 3.85Å; Y655-Y744 HydrophobicContact CD1-CG 3.85Å; Y655-Y744 HydrophobicContact CD2-CG 4.1Å; Y655-Y744 AromaticContact CE1-CD1 3.4Å; Y655-Y744 HydrophobicContact CE1-CD1 3.4Å; Y655-Y744 VanDerWaalsContact CE1-CD1 3.4Å; Y655-Y744 AromaticContact CE1-CD2 3.95Å; Y655-Y744 HydrophobicContact CE1-CD2 3.95Å; Y655-Y744 AromaticContact CE1-CE1 3.45Å; Y655-Y744 HydrophobicContact CE1-CE1 3.45Å; Y655-Y744 VanDerWaalsContact CE1-CE1 3.45Å; Y655-Y744 AromaticContact CE1-CE2 3.99Å; Y655-Y744 HydrophobicContact CE1-CE2 3.99Å; Y655-Y744 AromaticContact CE1-CG 3.64Å; Y655-Y744 HydrophobicContact CE1-CG 3.64Å; Y655-Y744 AromaticContact CE1-CZ 3.75Å; Y655-Y744 AromaticContact CE2-CD1 3.9Å; Y655-Y744 HydrophobicContact CE2-CD1 3.9Å; Y655-Y744 AromaticContact CE2-CG 3.92Å; Y655-Y744 HydrophobicContact CE2-CG 3.92Å; Y655-Y744 HydrophobicContact CG-CD2 4.19Å; Y655-Y744 HydrophobicContact CG-CG 4.08Å; Y655-Y744 AromaticContact CZ-CD1 3.28Å; Y655-Y744 AromaticContact CZ-CE1 3.72Å; Y655-Y744 AromaticContact CZ-CG 3.69Å; Y655-Y744 WeakPolarHBondContact OH-CD1 3.19Å; Y655-A782 HydrophobicContact CE2-CB 3.89Å; Y655-R783 PolarHBondContact OH-N 2.92Å; Y655-C805 VanDerWaalsContact CD1-SG 3.59Å
656	D	93.4	Very high	95.8	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.037	13%	0.133	C	C	.	.	S	Bend	trans	-105.4	85.9	177.8	-171.5	20.5	0	0	0	110.6	F721 E806 R957 Q988	D656-F721 WeakPolarHBondContact OD1-CB 3.27Å; D656-F721 WeakPolarHBondContact OD2-CB 3.42Å; D656-E806 HydrophobicContact CB-CG 3.79Å; D656-R957 IonicContact OD1-CZ 3.64Å; D656-R957 IonicContact OD1-NH1 3.49Å; D656-R957 PolarHBondContact OD1-NH1 3.07Å; D656-R957 IonicContact OD1-NH2 2.76Å; D656-R957 PolarHBondContact OD1-NH2 2.9Å; D656-R957 IonicContact OD2-CZ 3.82Å; D656-R957 IonicContact OD2-NH1 2.74Å; D656-R957 PolarHBondContact OD2-NH1 2.91Å; D656-R957 IonicContact OD2-NH2 2.83Å; D656-R957 PolarHBondContact OD2-NH2 2.92Å; D656-Q988 PolarHBondContact OD2-NE2 2.94Å
657	G	94.6	Very high	96.2	Very high	10 Å²	10	22.4 Å²	22.4	10%	0.103	12%	0.123	C	C	.	.	S	Bend	trans	-148.3	-151.6	-172.7	0	0	0	0	0	113.5	A708 F721	G657-A708 WeakPolarHBondContact CA-O 3.32Å; G657-F721 WeakPolarHBondContact O-CD2 3.38Å; G657-F721 VanDerWaalsContact O-CE2 3.32Å; G657-F721 WeakPolarHBondContact O-CE2 3.33Å
658	E	95.6	Very high	96.3	Very high	41 Å²	41	24.7 Å²	24.7	19%	0.192	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.3	169	-75.7	-174.8	-143.9	0	0	110.8	A660 K683 Y684 A708 F721 L724	E658-A660 PolarHBondContact O-N 2.87Å; E658-A660 VanDerWaalsContact O-N 3.12Å; E658-K683 IonicContact OE1-NZ 2.7Å; E658-K683 PolarHBondContact OE1-NZ 2.87Å; E658-K683 IonicContact OE2-NZ 2.76Å; E658-K683 PolarHBondContact OE2-NZ 3.03Å; E658-Y684 PolarHBondContact OE2-OH 3.29Å; E658-A708 PolarHBondContact N-O 3.49Å; E658-A708 PolarHBondContact O-N 2.89Å; E658-F721 HydrophobicContact CG-CE2 4.01Å; E658-L724 HydrophobicContact CB-CD2 4.14Å; E658-L724 HydrophobicContact CG-CD2 3.93Å
659	R	97.3	Very high	96.4	Very high	30 Å²	30	27.2 Å²	27.2	11%	0.113	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	116.5	171.6	-166.1	170.6	177.1	172.4	-1	111.6	P628 M629 R675 D705 T706 E707 F746 Y819	P628-R659 VanDerWaalsContact CB-CZ 3.44Å; M629-R659 PolarHBondContact O-NH1 3.02Å; M629-R659 PolarHBondContact O-NH2 2.89Å; R659-R675 HydrophobicContact CB-CB 4.39Å; R659-R675 PolarHBondContact O-N 2.9Å; R659-D705 IonicContact CZ-OD1 2.63Å; R659-D705 IonicContact CZ-OD2 2.97Å; R659-D705 IonicContact NE-OD1 2.85Å; R659-D705 PolarHBondContact NE-OD1 3.14Å; R659-D705 IonicContact NE-OD2 3.38Å; R659-D705 IonicContact NH2-OD1 3.16Å; R659-D705 PolarHBondContact NH2-OD1 3.43Å; R659-D705 IonicContact NH2-OD2 2.81Å; R659-D705 PolarHBondContact NH2-OD2 3.21Å; R659-T706 CarbonylContact C-O 3.53Å; R659-T706 WeakPolarHBondContact CA-O 3.46Å; R659-E707 WeakPolarHBondContact CA-OE2 3.44Å; R659-E707 VanDerWaalsContact CB-OE2 3.25Å; R659-E707 WeakPolarHBondContact CB-OE2 3.43Å; R659-E707 PolarHBondContact N-OE1 3.33Å; R659-F746 HydrophobicContact CG-CZ 4.12Å; R659-Y819 PolarHBondContact NH2-OH 2.91Å
660	A	97.6	Very high	96.5	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.017	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.1	-176	0	0	0	0	0	109.3	E658 I672 T706 A708	E658-A660 PolarHBondContact O-N 2.87Å; E658-A660 VanDerWaalsContact O-N 3.12Å; A660-I672 HydrophobicContact CB-CG2 3.89Å; A660-T706 PolarHBondContact N-O 3Å; A660-T706 PolarHBondContact O-N 3.45Å; A660-T706 PolarHBondContact O-OG1 2.83Å; A660-A708 HydrophobicContact CB-CB 4.23Å
661	Q	98	Very high	96.5	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.028	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	108.5	173.8	-169.4	177.9	92.7	0	0	108	P625 L626 H663 I672 F673 V703 L704	P625-Q661 VanDerWaalsContact CB-OE1 3.29Å; L626-Q661 HydrophobicContact CD2-CG 4.48Å; L626-Q661 PolarHBondContact O-NE2 2.89Å; L626-Q661 VanDerWaalsContact O-NE2 3.09Å; L626-Q661 PolarHBondContact O-OE1 2.83Å; Q661-H663 PolarHBondContact OE1-NE2 2.82Å; Q661-H663 VanDerWaalsContact OE1-NE2 3.08Å; Q661-I672 WeakPolarHBondContact O-CA 3.31Å; Q661-F673 PolarHBondContact N-O 2.99Å; Q661-F673 PolarHBondContact O-N 2.87Å; Q661-V703 HydrophobicContact CG-CG1 4.01Å; Q661-L704 CarbonylContact C-O 3.56Å; Q661-L704 WeakPolarHBondContact CA-O 3.32Å
662	I	98.4	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.6	-171.5	-53.2	177.6	0	0	0	109.1	V670 I672 I687 L691 V703 L704 T706 V743	I662-V670 HydrophobicContact CG2-CG1 4.02Å; I662-I672 HydrophobicContact CG1-CG1 4.28Å; I662-I672 HydrophobicContact CG1-CG2 4.49Å; I662-I672 HydrophobicContact CG2-CG1 4.33Å; I662-I687 HydrophobicContact CD1-CG2 3.93Å; I662-L691 HydrophobicContact CG2-CD1 3.77Å; I662-V703 WeakPolarHBondContact O-CA 3.38Å; I662-L704 HydrophobicContact CB-CB 4.25Å; I662-L704 HydrophobicContact CB-CD1 4.49Å; I662-L704 PolarHBondContact N-O 2.97Å; I662-L704 PolarHBondContact O-N 3.45Å; I662-T706 HydrophobicContact CD1-CG2 4.04Å; I662-T706 HydrophobicContact CG1-CG2 4.41Å; I662-V743 HydrophobicContact CD1-CG1 4.08Å
663	H	98.3	Very high	96.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.8	176.2	-65.1	-120.8	0	0	0	109.3	G623 V624 Q661 L665 V670 R671 F673 C702 V703	G623-H663 PolarHBondContact N-ND1 3.41Å; G623-H663 VanDerWaalsContact N-ND1 3.18Å; V624-H663 PolarHBondContact O-CE1 3.07Å; Q661-H663 PolarHBondContact OE1-NE2 2.82Å; Q661-H663 VanDerWaalsContact OE1-NE2 3.08Å; H663-L665 HydrophobicContact CB-CD1 4.26Å; H663-V670 CarbonylContact O-C 3.39Å; H663-V670 WeakPolarHBondContact O-CA 3.42Å; H663-R671 PolarHBondContact N-O 3.48Å; H663-R671 PolarHBondContact O-N 2.93Å; H663-F673 HydrophobicContact CB-CE2 4.44Å; H663-F673 AromaticContact CD2-CD2 3.4Å; H663-F673 VanDerWaalsContact CD2-CD2 3.4Å; H663-F673 WeakPolarHBondContact CD2-CD2 3.11Å; H663-F673 AromaticContact CD2-CE2 3.56Å; H663-F673 AromaticContact CG-CE2 3.91Å; H663-F673 AromaticContact NE2-CD2 3.6Å; H663-F673 AromaticContact NE2-CE2 3.87Å; H663-C702 WeakPolarHBondContact CA-O 3.46Å; H663-V703 HydrophobicContact CB-CG2 4.47Å; H663-V703 VanDerWaalsContact ND1-CG2 3.31Å; H663-V703 WeakPolarHBondContact ND1-CG2 3.45Å
664	I	97.6	Very high	96.3	Very high	9 Å²	9	31.3 Å²	31.3	5%	0.046	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.2	167.1	-53.7	-174.7	0	0	0	106.9	V670 K695 S701 C702	I664-V670 HydrophobicContact CG1-CG2 4.37Å; I664-K695 HydrophobicContact CD1-CD 3.98Å; I664-K695 HydrophobicContact CD1-CG 4.43Å; I664-S701 CarbonylContact O-C 3.59Å; I664-S701 VanDerWaalsContact O-CA 3.26Å; I664-S701 WeakPolarHBondContact O-CA 3.37Å; I664-S701 WeakPolarHBondContact O-CB 3.31Å; I664-C702 PolarHBondContact N-O 3.18Å; I664-C702 PolarHBondContact O-N 3.3Å
665	L	96.7	Very high	96.1	Very high	27 Å²	27	36.1 Å²	36.1	14%	0.141	19%	0.189	C	C	.	.			trans	-86.1	158	178.5	-73.6	68.8	0	0	0	109.9	P622 H663 S667 G668 E669	P622-L665 HydrophobicContact CB-CD1 4.28Å; P622-L665 HydrophobicContact CB-CG 4.1Å; H663-L665 HydrophobicContact CB-CD1 4.26Å; L665-S667 PolarHBondContact O-N 3.42Å; L665-G668 WeakPolarHBondContact O-CA 3.37Å; L665-G668 PolarHBondContact O-N 3.42Å; L665-E669 HydrophobicContact CB-CB 4.32Å; L665-E669 WeakPolarHBondContact CD1-O 3.25Å; L665-E669 HydrophobicContact CD2-CB 4.41Å; L665-E669 PolarHBondContact N-O 2.85Å
666	E	94.4	Very high	95.8	Very high	140 Å²	140	39.9 Å²	39.9	65%	0.654	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.6	176.8	-60.9	174.6	174.4	0	0	113.5	G668 V700	E666-G668 PolarHBondContact O-N 3.15Å; E666-V700 HydrophobicContact CB-CG1 4.46Å; E666-V700 HydrophobicContact CG-CG1 4.4Å
667	S	94.3	Very high	95.7	Very high	89 Å²	89	39.8 Å²	39.8	62%	0.622	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-6.4	171.9	56.6	0	0	0	0	114.4	L665 E669	L665-S667 PolarHBondContact O-N 3.42Å; S667-E669 PolarHBondContact O-N 3.4Å; S667-E669 WeakPolarHBondContact OG-CB 3.29Å; S667-E669 PolarHBondContact OG-N 3.4Å
668	G	92	Very high	95.5	Very high	55 Å²	55	44 Å²	44	57%	0.567	23%	0.227	S	C	*	.	S	Bend	trans	76.7	1.4	-166.9	0	0	0	0	0	114.2	L665 E666	L665-G668 WeakPolarHBondContact O-CA 3.37Å; L665-G668 PolarHBondContact O-N 3.42Å; E666-G668 PolarHBondContact O-N 3.15Å
669	E	95.9	Very high	95.5	Very high	84 Å²	84	45 Å²	45	39%	0.393	23%	0.234	S	C	.	.			trans	-67.8	132.8	173.1	-171.5	-175.6	160	0	0	110	L665 S667 R671	L665-E669 HydrophobicContact CB-CB 4.32Å; L665-E669 WeakPolarHBondContact CD1-O 3.25Å; L665-E669 HydrophobicContact CD2-CB 4.41Å; L665-E669 PolarHBondContact N-O 2.85Å; S667-E669 PolarHBondContact O-N 3.4Å; S667-E669 WeakPolarHBondContact OG-CB 3.29Å; S667-E669 PolarHBondContact OG-N 3.4Å; E669-R671 IonicContact OE1-CZ 2.74Å; E669-R671 IonicContact OE1-NE 3.26Å; E669-R671 PolarHBondContact OE1-NE 3.44Å; E669-R671 IonicContact OE1-NH2 3.37Å; E669-R671 PolarHBondContact OE1-NH2 3.47Å; E669-R671 IonicContact OE2-NH2 3.98Å
670	V	97.4	Very high	95.4	Very high	21 Å²	21	44.6 Å²	44.6	13%	0.127	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	134.3	174	-178.6	0	0	0	0	109.3	I662 H663 I664 I672 T681 I688 L691	I662-V670 HydrophobicContact CG2-CG1 4.02Å; H663-V670 CarbonylContact O-C 3.39Å; H663-V670 WeakPolarHBondContact O-CA 3.42Å; I664-V670 HydrophobicContact CG1-CG2 4.37Å; V670-I672 HydrophobicContact CG1-CG1 4.24Å; V670-T681 WeakPolarHBondContact O-CG2 3.4Å; V670-I688 HydrophobicContact CB-CG1 4.19Å; V670-I688 HydrophobicContact CB-CG2 4.14Å; V670-I688 HydrophobicContact CG1-CG1 3.95Å; V670-I688 HydrophobicContact CG2-CG2 4.35Å; V670-L691 HydrophobicContact CB-CD1 4.43Å; V670-L691 HydrophobicContact CG1-CD1 3.56Å; V670-L691 HydrophobicContact CG2-CD1 4.01Å
671	R	97.4	Very high	95.2	Very high	72 Å²	72	45.8 Å²	45.8	27%	0.272	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.4	166.6	-62.7	-170.5	-173.7	162.5	3.7	111.2	G623 H663 E669 F673 T681	G623-R671 PolarHBondContact O-NH1 2.95Å; H663-R671 PolarHBondContact N-O 3.48Å; H663-R671 PolarHBondContact O-N 2.93Å; E669-R671 IonicContact OE1-CZ 2.74Å; E669-R671 IonicContact OE1-NE 3.26Å; E669-R671 PolarHBondContact OE1-NE 3.44Å; E669-R671 IonicContact OE1-NH2 3.37Å; E669-R671 PolarHBondContact OE1-NH2 3.47Å; E669-R671 IonicContact OE2-NH2 3.98Å; R671-F673 HydrophobicContact CB-CD2 4.48Å; R671-F673 HydrophobicContact CB-CE1 4.44Å; R671-F673 HydrophobicContact CB-CE2 3.64Å; R671-F673 HydrophobicContact CB-CZ 3.61Å; R671-F673 HydrophobicContact CG-CZ 4.32Å; R671-T681 WeakPolarHBondContact CA-OG1 3.37Å
672	I	97.6	Very high	95.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.7	-177.2	-58.7	174.6	0	0	0	107.9	A660 Q661 I662 V670 N680 T681 Y684 I687 I688	A660-I672 HydrophobicContact CB-CG2 3.89Å; Q661-I672 WeakPolarHBondContact O-CA 3.31Å; I662-I672 HydrophobicContact CG1-CG1 4.28Å; I662-I672 HydrophobicContact CG1-CG2 4.49Å; I662-I672 HydrophobicContact CG2-CG1 4.33Å; V670-I672 HydrophobicContact CG1-CG1 4.24Å; I672-N680 HydrophobicContact CG2-CB 4.4Å; I672-N680 CarbonylContact O-C 3.58Å; I672-N680 WeakPolarHBondContact O-CA 3.31Å; I672-N680 WeakPolarHBondContact O-CB 3.49Å; I672-N680 PolarHBondContact O-N 3.28Å; I672-T681 PolarHBondContact N-OG1 2.75Å; I672-T681 PolarHBondContact O-N 3.36Å; I672-Y684 HydrophobicContact CG2-CD2 4.18Å; I672-I687 HydrophobicContact CD1-CB 3.9Å; I672-I687 HydrophobicContact CD1-CD1 4.5Å; I672-I687 HydrophobicContact CD1-CG2 3.8Å; I672-I688 HydrophobicContact CD1-CD1 4.38Å; I672-I688 HydrophobicContact CD1-CG1 3.84Å
673	F	97.3	Very high	94.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.4	-177.4	-55.1	-78.5	0	0	0	112.1	Y428 P625 Q661 H663 R671 E678 D679	Y428-F673 HydrophobicContact CG-CE1 4.47Å; P625-F673 HydrophobicContact CB-CB 3.74Å; P625-F673 HydrophobicContact CB-CD1 4.17Å; P625-F673 HydrophobicContact CB-CD2 3.6Å; P625-F673 HydrophobicContact CB-CE2 4.18Å; P625-F673 HydrophobicContact CB-CG 3.57Å; P625-F673 HydrophobicContact CG-CB 4.19Å; P625-F673 HydrophobicContact CG-CD1 3.79Å; P625-F673 HydrophobicContact CG-CD2 4.03Å; P625-F673 HydrophobicContact CG-CE1 4.12Å; P625-F673 HydrophobicContact CG-CE2 4.31Å; P625-F673 HydrophobicContact CG-CG 3.74Å; P625-F673 HydrophobicContact CG-CZ 4.36Å; Q661-F673 PolarHBondContact N-O 2.99Å; Q661-F673 PolarHBondContact O-N 2.87Å; H663-F673 HydrophobicContact CB-CE2 4.44Å; H663-F673 AromaticContact CD2-CD2 3.4Å; H663-F673 VanDerWaalsContact CD2-CD2 3.4Å; H663-F673 WeakPolarHBondContact CD2-CD2 3.11Å; H663-F673 AromaticContact CD2-CE2 3.56Å; H663-F673 AromaticContact CG-CE2 3.91Å; H663-F673 AromaticContact NE2-CD2 3.6Å; H663-F673 AromaticContact NE2-CE2 3.87Å; R671-F673 HydrophobicContact CB-CD2 4.48Å; R671-F673 HydrophobicContact CB-CE1 4.44Å; R671-F673 HydrophobicContact CB-CE2 3.64Å; R671-F673 HydrophobicContact CB-CZ 3.61Å; R671-F673 HydrophobicContact CG-CZ 4.32Å; F673-E678 CarbonylContact C-O 3.6Å; F673-E678 VanDerWaalsContact CA-O 3.27Å; F673-E678 WeakPolarHBondContact CA-O 3.37Å; F673-D679 HydrophobicContact CD1-CB 4.22Å; F673-D679 HydrophobicContact CE1-CB 4.2Å
674	S	94.8	Very high	94.7	Very high	11 Å²	11	48.2 Å²	48.2	8%	0.077	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	165.1	174.7	91.9	0	0	0	0	111.5	N676 Q677 E678	S674-N676 PolarHBondContact O-N 2.88Å; S674-N676 PolarHBondContact OG-N 3.5Å; S674-N676 VanDerWaalsContact OG-N 3.08Å; S674-Q677 PolarHBondContact O-N 3.31Å; S674-E678 PolarHBondContact N-O 3.36Å; S674-E678 WeakPolarHBondContact OG-CB 3.22Å; S674-E678 PolarHBondContact OG-N 3.13Å; S674-E678 PolarHBondContact OG-OE2 3.2Å
675	R	93.1	Very high	94.6	Very high	140 Å²	140	49.2 Å²	49.2	53%	0.528	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-31.3	167.5	-176.3	178.9	175.6	160.6	-1.1	114.2	P628 R659 Q677	P628-R675 WeakPolarHBondContact CD-O 3.2Å; P628-R675 HydrophobicContact CG-CG 4Å; P628-R675 WeakPolarHBondContact CG-O 3.43Å; R659-R675 HydrophobicContact CB-CB 4.39Å; R659-R675 PolarHBondContact O-N 2.9Å; R675-Q677 PolarHBondContact O-NE2 2.99Å
676	N	89.6	Confident	94.5	Very high	94 Å²	94	48.4 Å²	48.4	50%	0.503	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	13.9	-178.9	-63.1	-21.5	0	0	0	113.3	S674 E678	S674-N676 PolarHBondContact O-N 2.88Å; S674-N676 PolarHBondContact OG-N 3.5Å; S674-N676 VanDerWaalsContact OG-N 3.08Å; N676-E678 HydrophobicContact CB-CG 4.31Å; N676-E678 PolarHBondContact O-N 3.38Å
677	Q	91.3	Very high	94.6	Very high	5 Å²	5	42 Å²	42	2%	0.023	23%	0.23	C	C	.	.	S	Bend	trans	64	27.3	-177.2	-61.4	58.8	67.7	0	0	112.2	A427 Y428 P625 L626 S674 R675	A427-Q677 CarbonylContact C-O 3.57Å; A427-Q677 HydrophobicContact CB-CB 4.13Å; Y428-Q677 WeakPolarHBondContact CA-O 3.29Å; Y428-Q677 WeakPolarHBondContact CB-O 3.33Å; Y428-Q677 PolarHBondContact N-O 3.11Å; P625-Q677 HydrophobicContact CB-CB 4.32Å; P625-Q677 HydrophobicContact CB-CG 4.03Å; P625-Q677 HydrophobicContact CG-CB 3.83Å; P625-Q677 HydrophobicContact CG-CG 3.95Å; L626-Q677 PolarHBondContact O-NE2 3.13Å; S674-Q677 PolarHBondContact O-N 3.31Å; R675-Q677 PolarHBondContact O-NE2 2.99Å
678	E	91.6	Very high	94.7	Very high	99 Å²	99	40.1 Å²	40.1	46%	0.463	21%	0.212	S	C	.	.			trans	-82.4	140.9	171.6	-59.5	152.1	156.9	0	0	109.3	F673 S674 N676 N680	F673-E678 CarbonylContact C-O 3.6Å; F673-E678 VanDerWaalsContact CA-O 3.27Å; F673-E678 WeakPolarHBondContact CA-O 3.37Å; S674-E678 PolarHBondContact N-O 3.36Å; S674-E678 WeakPolarHBondContact OG-CB 3.22Å; S674-E678 PolarHBondContact OG-N 3.13Å; S674-E678 PolarHBondContact OG-OE2 3.2Å; N676-E678 HydrophobicContact CB-CG 4.31Å; N676-E678 PolarHBondContact O-N 3.38Å; E678-N680 PolarHBondContact O-N 2.9Å
679	D	94.4	Very high	94.8	Very high	62 Å²	62	41 Å²	41	33%	0.332	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-76.1	112.6	176.7	-165.8	-24.7	0	0	0	110.8	F673 T681	F673-D679 HydrophobicContact CD1-CB 4.22Å; F673-D679 HydrophobicContact CE1-CB 4.2Å; D679-T681 WeakPolarHBondContact OD1-CB 3.15Å; D679-T681 PolarHBondContact OD1-N 3.03Å; D679-T681 PolarHBondContact OD1-OG1 3.02Å
680	N	95.1	Very high	94.7	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.112	19%	0.194	C	C	.	.			trans	-105.3	10.8	178	-86.8	-10	0	0	0	111.7	I672 E678 S682 K683 Y684	I672-N680 HydrophobicContact CG2-CB 4.4Å; I672-N680 CarbonylContact O-C 3.58Å; I672-N680 WeakPolarHBondContact O-CA 3.31Å; I672-N680 WeakPolarHBondContact O-CB 3.49Å; I672-N680 PolarHBondContact O-N 3.28Å; E678-N680 PolarHBondContact O-N 2.9Å; N680-S682 VanDerWaalsContact C-N 3.33Å; N680-S682 PolarHBondContact O-N 3.38Å; N680-K683 HydrophobicContact CB-CB 4.43Å; N680-K683 VanDerWaalsContact O-CB 3.24Å; N680-K683 WeakPolarHBondContact O-CB 3.45Å; N680-K683 PolarHBondContact O-N 3.46Å; N680-Y684 HydrophobicContact CB-CD2 4.14Å; N680-Y684 HydrophobicContact CB-CE2 4.12Å
681	T	95.1	Very high	94.6	Very high	26 Å²	26	37.1 Å²	37.1	16%	0.16	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-58.6	-42.6	-175.6	-51.7	0	0	0	0	111.6	V670 R671 I672 D679 K683 Y684 I688	V670-T681 WeakPolarHBondContact O-CG2 3.4Å; R671-T681 WeakPolarHBondContact CA-OG1 3.37Å; I672-T681 PolarHBondContact N-OG1 2.75Å; I672-T681 PolarHBondContact O-N 3.36Å; D679-T681 WeakPolarHBondContact OD1-CB 3.15Å; D679-T681 PolarHBondContact OD1-N 3.03Å; D679-T681 PolarHBondContact OD1-OG1 3.02Å; T681-K683 PolarHBondContact O-N 2.88Å; T681-Y684 PolarHBondContact O-N 3.38Å; T681-I688 HydrophobicContact CG2-CD1 3.58Å; T681-I688 WeakPolarHBondContact O-CD1 3.37Å
682	S	93.9	Very high	94.4	Very high	47 Å²	47	38.4 Å²	38.4	33%	0.329	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-77.6	1.2	176.4	76.8	0	0	0	0	115	N680 D731 V732	N680-S682 VanDerWaalsContact C-N 3.33Å; N680-S682 PolarHBondContact O-N 3.38Å; S682-D731 WeakPolarHBondContact CB-OD1 3.45Å; S682-D731 PolarHBondContact O-N 3.49Å; S682-D731 PolarHBondContact OG-N 3.32Å; S682-D731 PolarHBondContact OG-OD1 3.34Å; S682-V732 WeakPolarHBondContact O-CG2 3.44Å; S682-V732 PolarHBondContact O-N 3.01Å
683	K	93.8	Very high	94.2	Very high	9 Å²	9	44.5 Å²	44.5	4%	0.039	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-89	-24.3	171.7	-175.4	174.7	173.5	-173.5	0	112.8	E658 N680 T681 P685 R727	E658-K683 IonicContact OE1-NZ 2.7Å; E658-K683 PolarHBondContact OE1-NZ 2.87Å; E658-K683 IonicContact OE2-NZ 2.76Å; E658-K683 PolarHBondContact OE2-NZ 3.03Å; N680-K683 HydrophobicContact CB-CB 4.43Å; N680-K683 VanDerWaalsContact O-CB 3.24Å; N680-K683 WeakPolarHBondContact O-CB 3.45Å; N680-K683 PolarHBondContact O-N 3.46Å; T681-K683 PolarHBondContact O-N 2.88Å; K683-P685 VanDerWaalsContact C-CD 3.48Å; K683-R727 PolarHBondContact O-NE 3.42Å; K683-R727 PolarHBondContact O-NH2 3.16Å
684	Y	96.2	Very high	94.1	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	24%	0.235	C	C	.	.			trans	-129.7	53.6	-167	-64.1	-73	0	0	0	114.9	E658 I672 N680 T681 D686 I687 I688 A708 V741	E658-Y684 PolarHBondContact OE2-OH 3.29Å; I672-Y684 HydrophobicContact CG2-CD2 4.18Å; N680-Y684 HydrophobicContact CB-CD2 4.14Å; N680-Y684 HydrophobicContact CB-CE2 4.12Å; T681-Y684 PolarHBondContact O-N 3.38Å; Y684-D686 VanDerWaalsContact C-OD1 3.31Å; Y684-D686 WeakPolarHBondContact CA-OD1 3.4Å; Y684-D686 PolarHBondContact O-N 3.13Å; Y684-I687 HydrophobicContact CD1-CD1 3.56Å; Y684-I687 HydrophobicContact CD1-CG1 4.13Å; Y684-I687 HydrophobicContact CE1-CD1 4.24Å; Y684-I687 HydrophobicContact CG-CD1 3.73Å; Y684-I687 HydrophobicContact CG-CG1 4.33Å; Y684-I687 PolarHBondContact O-N 3.17Å; Y684-I687 VanDerWaalsContact O-N 3.14Å; Y684-I688 WeakPolarHBondContact O-CG1 3.48Å; Y684-I688 PolarHBondContact O-N 2.59Å; Y684-I688 VanDerWaalsContact O-N 3.13Å; Y684-A708 HydrophobicContact CE1-CB 4.34Å; Y684-V741 HydrophobicContact CD1-CG2 4.24Å; Y684-V741 HydrophobicContact CE1-CG1 4.45Å; Y684-V741 HydrophobicContact CE1-CG2 4.34Å
685	P	95.8	Very high	94.2	Very high	30 Å²	30	46.2 Å²	46.2	20%	0.195	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-22.9	177.2	33.5	-39.5	0	0	0	112.9	K683 S689 V732 A734 I737	K683-P685 VanDerWaalsContact C-CD 3.48Å; P685-S689 WeakPolarHBondContact O-CB 3.46Å; P685-S689 PolarHBondContact O-N 2.73Å; P685-S689 PolarHBondContact O-OG 2.88Å; P685-V732 WeakPolarHBondContact CG-O 3.02Å; P685-A734 HydrophobicContact CB-CB 4.39Å; P685-A734 HydrophobicContact CG-CB 4.23Å; P685-I737 HydrophobicContact CG-CD1 3.89Å
686	D	94.2	Very high	94.3	Very high	11 Å²	11	43 Å²	43	6%	0.059	23%	0.23	C	C	.	.	H	α-helix	trans	-69.5	-38.9	171.1	59.9	-25.3	0	0	0	112.7	Y684 S689 R690 R727 I737	Y684-D686 VanDerWaalsContact C-OD1 3.31Å; Y684-D686 WeakPolarHBondContact CA-OD1 3.4Å; Y684-D686 PolarHBondContact O-N 3.13Å; D686-S689 WeakPolarHBondContact CA-OG 3.28Å; D686-S689 PolarHBondContact O-OG 2.92Å; D686-R690 WeakPolarHBondContact O-CB 3.36Å; D686-R690 WeakPolarHBondContact O-CG 3.19Å; D686-R690 PolarHBondContact O-N 3.26Å; D686-R690 PolarHBondContact O-NE 2.85Å; D686-R690 IonicContact OD2-NH2 4Å; D686-R690 PolarHBondContact OD2-NH2 2.95Å; D686-R727 IonicContact OD1-CZ 2.7Å; D686-R727 IonicContact OD1-NH1 2.7Å; D686-R727 IonicContact OD1-NH2 2.65Å; D686-R727 PolarHBondContact OD1-NH2 2.99Å; D686-R727 IonicContact OD2-CZ 2.75Å; D686-R727 IonicContact OD2-NH1 2.76Å; D686-R727 PolarHBondContact OD2-NH1 3.26Å; D686-R727 IonicContact OD2-NH2 3.1Å; D686-R727 PolarHBondContact OD2-NH2 3.45Å; D686-I737 HydrophobicContact CB-CD1 3.79Å
687	I	96	Very high	94.5	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-49.1	171.1	-61.5	-179.2	0	0	0	108.9	I662 I672 Y684 S689 R690 L691 A708 V741 V743	I662-I687 HydrophobicContact CD1-CG2 3.93Å; I672-I687 HydrophobicContact CD1-CB 3.9Å; I672-I687 HydrophobicContact CD1-CD1 4.5Å; I672-I687 HydrophobicContact CD1-CG2 3.8Å; Y684-I687 HydrophobicContact CD1-CD1 3.56Å; Y684-I687 HydrophobicContact CD1-CG1 4.13Å; Y684-I687 HydrophobicContact CE1-CD1 4.24Å; Y684-I687 HydrophobicContact CG-CD1 3.73Å; Y684-I687 HydrophobicContact CG-CG1 4.33Å; Y684-I687 PolarHBondContact O-N 3.17Å; Y684-I687 VanDerWaalsContact O-N 3.14Å; I687-S689 VanDerWaalsContact C-N 3.33Å; I687-S689 PolarHBondContact O-N 2.85Å; I687-R690 PolarHBondContact O-N 2.69Å; I687-R690 VanDerWaalsContact O-N 3.07Å; I687-L691 HydrophobicContact CG2-CD1 4.29Å; I687-L691 HydrophobicContact CG2-CG 4.35Å; I687-L691 WeakPolarHBondContact O-CG 3.26Å; I687-L691 PolarHBondContact O-N 3.26Å; I687-A708 HydrophobicContact CD1-CB 4.21Å; I687-V741 HydrophobicContact CD1-CG2 4.04Å; I687-V741 HydrophobicContact CG1-CG2 3.96Å; I687-V743 HydrophobicContact CD1-CG2 3.7Å; I687-V743 HydrophobicContact CG1-CG2 3.88Å; I687-V743 HydrophobicContact CG2-CG2 3.99Å
688	I	96.2	Very high	94.7	Very high	50 Å²	50	49.6 Å²	49.6	26%	0.256	27%	0.272	S	S	.	.	H	α-helix	trans	-57.5	-44.1	-178	-64.2	166.9	0	0	0	111.8	V670 I672 T681 Y684 R690 P692	V670-I688 HydrophobicContact CB-CG1 4.19Å; V670-I688 HydrophobicContact CB-CG2 4.14Å; V670-I688 HydrophobicContact CG1-CG1 3.95Å; V670-I688 HydrophobicContact CG2-CG2 4.35Å; I672-I688 HydrophobicContact CD1-CD1 4.38Å; I672-I688 HydrophobicContact CD1-CG1 3.84Å; T681-I688 HydrophobicContact CG2-CD1 3.58Å; T681-I688 WeakPolarHBondContact O-CD1 3.37Å; Y684-I688 WeakPolarHBondContact O-CG1 3.48Å; Y684-I688 PolarHBondContact O-N 2.59Å; Y684-I688 VanDerWaalsContact O-N 3.13Å; I688-R690 VanDerWaalsContact C-N 3.35Å; I688-P692 WeakPolarHBondContact O-CD 3.33Å
689	S	94.7	Very high	95	Very high	75 Å²	75	45.1 Å²	45.1	52%	0.524	25%	0.251	S	S	.	.	H	α-helix	trans	-75.9	-16.1	178.8	52.6	0	0	0	0	114.7	P685 D686 I687	P685-S689 WeakPolarHBondContact O-CB 3.46Å; P685-S689 PolarHBondContact O-N 2.73Å; P685-S689 PolarHBondContact O-OG 2.88Å; D686-S689 WeakPolarHBondContact CA-OG 3.28Å; D686-S689 PolarHBondContact O-OG 2.92Å; I687-S689 VanDerWaalsContact C-N 3.33Å; I687-S689 PolarHBondContact O-N 2.85Å
690	R	94.3	Very high	95.1	Very high	16 Å²	16	46.4 Å²	46.4	6%	0.06	26%	0.261	C	S	.	.	H	α-helix	trans	-92.5	-26.7	175.9	-71.2	178.8	-68.6	166.2	4.6	113.7	D686 I687 I688 P692 K693 V741 G777 E778	D686-R690 WeakPolarHBondContact O-CB 3.36Å; D686-R690 WeakPolarHBondContact O-CG 3.19Å; D686-R690 PolarHBondContact O-N 3.26Å; D686-R690 PolarHBondContact O-NE 2.85Å; D686-R690 IonicContact OD2-NH2 4Å; D686-R690 PolarHBondContact OD2-NH2 2.95Å; I687-R690 PolarHBondContact O-N 2.69Å; I687-R690 VanDerWaalsContact O-N 3.07Å; I688-R690 VanDerWaalsContact C-N 3.35Å; R690-P692 VanDerWaalsContact C-CD 3.43Å; R690-P692 VanDerWaalsContact C-N 3.32Å; R690-K693 WeakPolarHBondContact O-CB 3.35Å; R690-K693 PolarHBondContact O-N 3.31Å; R690-V741 VanDerWaalsContact CZ-O 3.28Å; R690-V741 PolarHBondContact NH1-O 3.5Å; R690-V741 PolarHBondContact NH2-O 3.03Å; R690-G777 PolarHBondContact NH1-O 2.96Å; R690-E778 VanDerWaalsContact CD-OE1 3.25Å; R690-E778 WeakPolarHBondContact CD-OE1 3.37Å; R690-E778 VanDerWaalsContact CD-OE2 3.28Å; R690-E778 WeakPolarHBondContact CD-OE2 3.26Å
691	L	93.9	Very high	95.2	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-49.6	-40	179.2	-79.1	166.3	0	0	0	115	I662 V670 I687 K693 V694 K695	I662-L691 HydrophobicContact CG2-CD1 3.77Å; V670-L691 HydrophobicContact CB-CD1 4.43Å; V670-L691 HydrophobicContact CG1-CD1 3.56Å; V670-L691 HydrophobicContact CG2-CD1 4.01Å; I687-L691 HydrophobicContact CG2-CD1 4.29Å; I687-L691 HydrophobicContact CG2-CG 4.35Å; I687-L691 WeakPolarHBondContact O-CG 3.26Å; I687-L691 PolarHBondContact O-N 3.26Å; L691-K693 PolarHBondContact O-N 2.88Å; L691-V694 HydrophobicContact CD2-CG2 4.31Å; L691-V694 WeakPolarHBondContact O-CG2 3.27Å; L691-V694 PolarHBondContact O-N 2.94Å; L691-V694 VanDerWaalsContact O-N 3.15Å; L691-K695 VanDerWaalsContact O-CB 3.26Å; L691-K695 WeakPolarHBondContact O-CB 3.42Å; L691-K695 PolarHBondContact O-N 2.87Å
692	P	93.4	Very high	95.3	Very high	99 Å²	99	44.2 Å²	44.2	64%	0.643	25%	0.248	S	C	*	.	H	α-helix	trans	-63.3	-18.4	176.5	-25.1	36.1	0	0	0	115.4	I688 R690	I688-P692 WeakPolarHBondContact O-CD 3.33Å; R690-P692 VanDerWaalsContact C-CD 3.43Å; R690-P692 VanDerWaalsContact C-N 3.32Å
693	K	93.9	Very high	95.5	Very high	128 Å²	128	42 Å²	42	56%	0.557	23%	0.233	S	C	*	.	H	α-helix	trans	-79.5	-28.3	175	-54	-179.1	-169.6	172.8	0	113	R690 L691 E778	R690-K693 WeakPolarHBondContact O-CB 3.35Å; R690-K693 PolarHBondContact O-N 3.31Å; L691-K693 PolarHBondContact O-N 2.88Å; K693-E778 IonicContact NZ-OE1 2.6Å; K693-E778 PolarHBondContact NZ-OE1 3.36Å; K693-E778 IonicContact NZ-OE2 3.02Å; K693-E778 PolarHBondContact NZ-OE2 2.93Å
694	V	95.4	Very high	95.7	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-110.6	-21.9	-166.4	-62.3	0	0	0	0	112.4	L691 F772 T773 V775 F779	L691-V694 HydrophobicContact CD2-CG2 4.31Å; L691-V694 WeakPolarHBondContact O-CG2 3.27Å; L691-V694 PolarHBondContact O-N 2.94Å; L691-V694 VanDerWaalsContact O-N 3.15Å; V694-F772 CarbonylContact O-C 3.51Å; V694-F772 VanDerWaalsContact O-CA 3.23Å; V694-F772 WeakPolarHBondContact O-CA 3.14Å; V694-F772 WeakPolarHBondContact O-CD1 3.45Å; V694-T773 WeakPolarHBondContact CB-O 3.39Å; V694-T773 PolarHBondContact O-N 2.84Å; V694-V775 HydrophobicContact CG1-CB 4.11Å; V694-V775 HydrophobicContact CG1-CG2 3.74Å; V694-F779 HydrophobicContact CB-CB 4.11Å; V694-F779 HydrophobicContact CB-CD1 4.24Å; V694-F779 HydrophobicContact CB-CG 4.17Å; V694-F779 HydrophobicContact CG1-CB 3.75Å; V694-F779 HydrophobicContact CG1-CG 4.35Å; V694-F779 HydrophobicContact CG2-CB 4.09Å; V694-F779 HydrophobicContact CG2-CD1 4.45Å; V694-F779 HydrophobicContact CG2-CD2 4.18Å; V694-F779 HydrophobicContact CG2-CG 4.01Å
695	K	95.5	Very high	95.8	Very high	46 Å²	46	41.5 Å²	41.5	20%	0.2	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-83.2	120.9	173.2	-175.7	-152.5	72.9	72.2	0	110.1	I664 L691 V699 F772	I664-K695 HydrophobicContact CD1-CD 3.98Å; I664-K695 HydrophobicContact CD1-CG 4.43Å; L691-K695 VanDerWaalsContact O-CB 3.26Å; L691-K695 WeakPolarHBondContact O-CB 3.42Å; L691-K695 PolarHBondContact O-N 2.87Å; K695-V699 HydrophobicContact CD-CB 3.9Å; K695-V699 HydrophobicContact CD-CG1 4.05Å; K695-V699 HydrophobicContact CG-CB 3.62Å; K695-V699 HydrophobicContact CG-CG1 3.93Å; K695-V699 HydrophobicContact CG-CG2 4.07Å; K695-V699 PolarHBondContact NZ-O 3.48Å; K695-F772 HydrophobicContact CB-CD1 4.16Å; K695-F772 HydrophobicContact CB-CE1 3.76Å; K695-F772 HydrophobicContact CG-CE1 3.9Å; K695-F772 HydrophobicContact CG-CZ 4.3Å
696	K	96.4	Very high	95.9	Very high	73 Å²	73	40 Å²	40	32%	0.317	22%	0.221	S	C	.	.			trans	-69.2	156.3	174.8	-64.6	165.4	-174.7	156.7	0	111.5	S698 V699 R769 E770 S771 F772 T773	K696-S698 PolarHBondContact O-N 2.87Å; K696-V699 PolarHBondContact O-N 3.18Å; K696-V699 VanDerWaalsContact O-N 3.12Å; K696-R769 PolarHBondContact NZ-O 3.07Å; K696-R769 VanDerWaalsContact NZ-O 3.16Å; K696-E770 WeakPolarHBondContact CD-O 3.29Å; K696-E770 PolarHBondContact NZ-O 2.83Å; K696-S771 WeakPolarHBondContact CB-O 3.45Å; K696-S771 PolarHBondContact N-O 3.44Å; K696-S771 VanDerWaalsContact N-O 3.12Å; K696-F772 WeakPolarHBondContact CE-O 3.3Å; K696-F772 PolarHBondContact NZ-O 3.04Å; K696-T773 WeakPolarHBondContact CE-OG1 3.39Å
697	D	94.3	Very high	96.2	Very high	158 Å²	158	40.8 Å²	40.8	85%	0.845	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-27.2	-174	-65.8	-45.3	0	0	0	114.1	V699	D697-V699 PolarHBondContact O-N 2.6Å
698	S	95.1	Very high	96.2	Very high	79 Å²	79	40.6 Å²	40.6	55%	0.552	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.2	175.7	52.8	0	0	0	0	114.6	K696 N752	K696-S698 PolarHBondContact O-N 2.87Å; S698-N752 PolarHBondContact O-ND2 2.89Å
699	V	96.7	Very high	96.3	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.024	21%	0.211	C	C	.	.			trans	-88.7	109.2	179.1	-174.8	0	0	0	0	110	K695 K696 D697 C702 L751 F772	K695-V699 HydrophobicContact CD-CB 3.9Å; K695-V699 HydrophobicContact CD-CG1 4.05Å; K695-V699 HydrophobicContact CG-CB 3.62Å; K695-V699 HydrophobicContact CG-CG1 3.93Å; K695-V699 HydrophobicContact CG-CG2 4.07Å; K695-V699 PolarHBondContact NZ-O 3.48Å; K696-V699 PolarHBondContact O-N 3.18Å; K696-V699 VanDerWaalsContact O-N 3.12Å; D697-V699 PolarHBondContact O-N 2.6Å; V699-C702 HydrophobicContact CG1-CB 3.99Å; V699-L751 HydrophobicContact CG1-CD1 3.94Å; V699-L751 HydrophobicContact CG2-CD1 4.26Å; V699-F772 HydrophobicContact CG1-CZ 4.47Å
700	V	96.4	Very high	96.4	Very high	89 Å²	89	34.7 Å²	34.7	54%	0.539	19%	0.186	S	C	.	.	S	Bend	trans	-92	-40.9	175.7	-179	0	0	0	0	110.9	E666 N752	E666-V700 HydrophobicContact CB-CG1 4.46Å; E666-V700 HydrophobicContact CG-CG1 4.4Å; V700-N752 PolarHBondContact N-OD1 3.34Å
701	S	97.4	Very high	96.5	Very high	1 Å²	1	35 Å²	35	1%	0.007	19%	0.188	C	C	.	.	S	Bend	trans	-149.4	144.5	177.6	58.6	0	0	0	0	110.9	I664 L751 N752	I664-S701 CarbonylContact O-C 3.59Å; I664-S701 VanDerWaalsContact O-CA 3.26Å; I664-S701 WeakPolarHBondContact O-CA 3.37Å; I664-S701 WeakPolarHBondContact O-CB 3.31Å; S701-L751 CarbonylContact O-C 3.57Å; S701-L751 WeakPolarHBondContact O-CA 3.44Å; S701-N752 PolarHBondContact N-OD1 3.46Å; S701-N752 PolarHBondContact O-N 2.67Å; S701-N752 PolarHBondContact O-OD1 2.96Å
702	C	97.7	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	165.3	180	71.7	0	0	0	0	113.5	H663 I664 V699 L748 Y750 L751	H663-C702 WeakPolarHBondContact CA-O 3.46Å; I664-C702 PolarHBondContact N-O 3.18Å; I664-C702 PolarHBondContact O-N 3.3Å; V699-C702 HydrophobicContact CG1-CB 3.99Å; C702-L748 HydrophobicContact CB-CD1 4.13Å; C702-Y750 CarbonylContact C-O 3.59Å; C702-Y750 WeakPolarHBondContact CA-O 3.33Å; C702-Y750 WeakPolarHBondContact CB-O 3.37Å; C702-L751 HydrophobicContact CB-CD1 4.28Å
703	V	98.3	Very high	96.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	116.3	164.9	-178.5	0	0	0	0	109.1	P622 L626 Q661 I662 H663 L749 Y750	P622-V703 HydrophobicContact CG-CG2 4.3Å; L626-V703 HydrophobicContact CD2-CG1 3.98Å; Q661-V703 HydrophobicContact CG-CG1 4.01Å; I662-V703 WeakPolarHBondContact O-CA 3.38Å; H663-V703 HydrophobicContact CB-CG2 4.47Å; H663-V703 VanDerWaalsContact ND1-CG2 3.31Å; H663-V703 WeakPolarHBondContact ND1-CG2 3.45Å; V703-L749 HydrophobicContact CB-CB 4.32Å; V703-L749 HydrophobicContact CG1-CB 4.27Å; V703-L749 HydrophobicContact CG1-CD1 4.36Å; V703-L749 PolarHBondContact O-N 3.34Å; V703-Y750 HydrophobicContact CG2-CG 4.4Å; V703-Y750 PolarHBondContact N-O 2.91Å
704	L	98.3	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	148.6	178	-67.5	165.9	0	0	0	111.1	Q661 I662 T706 L748 L768 F772 F779	Q661-L704 CarbonylContact C-O 3.56Å; Q661-L704 WeakPolarHBondContact CA-O 3.32Å; I662-L704 HydrophobicContact CB-CB 4.25Å; I662-L704 HydrophobicContact CB-CD1 4.49Å; I662-L704 PolarHBondContact N-O 2.97Å; I662-L704 PolarHBondContact O-N 3.45Å; L704-T706 HydrophobicContact CB-CG2 3.79Å; L704-L748 HydrophobicContact CD2-CD1 3.62Å; L704-L748 HydrophobicContact CG-CD1 4.3Å; L704-L768 HydrophobicContact CD2-CD1 3.42Å; L704-L768 VanDerWaalsContact CD2-CD1 3.42Å; L704-F772 HydrophobicContact CD1-CE1 4.01Å; L704-F772 HydrophobicContact CD1-CE2 4.32Å; L704-F772 HydrophobicContact CD1-CZ 3.79Å; L704-F772 HydrophobicContact CD2-CD2 4.35Å; L704-F772 HydrophobicContact CD2-CE2 3.82Å; L704-F772 HydrophobicContact CD2-CZ 4.13Å; L704-F772 HydrophobicContact CG-CE2 4.41Å; L704-F772 HydrophobicContact CG-CZ 4.23Å; L704-F779 HydrophobicContact CD1-CE2 4.29Å
705	D	98.3	Very high	96.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.3	166.6	-146.2	-15.9	0	0	0	108.4	R659 F746 D747 L749 Y819	R659-D705 IonicContact CZ-OD1 2.63Å; R659-D705 IonicContact CZ-OD2 2.97Å; R659-D705 IonicContact NE-OD1 2.85Å; R659-D705 PolarHBondContact NE-OD1 3.14Å; R659-D705 IonicContact NE-OD2 3.38Å; R659-D705 IonicContact NH2-OD1 3.16Å; R659-D705 PolarHBondContact NH2-OD1 3.43Å; R659-D705 IonicContact NH2-OD2 2.81Å; R659-D705 PolarHBondContact NH2-OD2 3.21Å; D705-F746 HydrophobicContact CB-CD2 4.12Å; D705-F746 HydrophobicContact CB-CE2 3.59Å; D705-F746 HydrophobicContact CB-CZ 4.06Å; D705-F746 PolarHBondContact O-N 2.83Å; D705-F746 WeakPolarHBondContact OD1-CZ 3.32Å; D705-D747 HydrophobicContact CB-CB 3.79Å; D705-D747 PolarHBondContact N-O 3.46Å; D705-D747 PolarHBondContact O-N 3.46Å; D705-L749 HydrophobicContact CB-CD1 4.08Å; D705-L749 HydrophobicContact CB-CG 4.42Å; D705-Y819 WeakPolarHBondContact OD2-CE2 3.5Å; D705-Y819 PolarHBondContact OD2-OH 3.14Å
706	T	98.5	Very high	96.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	158.3	-169.1	78.5	0	0	0	0	111.4	R659 A660 I662 L704 V743 Y744 A745	R659-T706 CarbonylContact C-O 3.53Å; R659-T706 WeakPolarHBondContact CA-O 3.46Å; A660-T706 PolarHBondContact N-O 3Å; A660-T706 PolarHBondContact O-N 3.45Å; A660-T706 PolarHBondContact O-OG1 2.83Å; I662-T706 HydrophobicContact CD1-CG2 4.04Å; I662-T706 HydrophobicContact CG1-CG2 4.41Å; L704-T706 HydrophobicContact CB-CG2 3.79Å; T706-V743 HydrophobicContact CG2-CG1 3.8Å; T706-Y744 CarbonylContact C-O 3.43Å; T706-Y744 VanDerWaalsContact CA-O 3.26Å; T706-Y744 WeakPolarHBondContact CA-O 3.37Å; T706-A745 HydrophobicContact CG2-CB 3.87Å
707	E	98.6	Very high	95.9	Very high	27 Å²	27	46.5 Å²	46.5	13%	0.126	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.4	165.9	-150	77.8	-166.1	0	0	109	R659 V709 Y744 F746	R659-E707 WeakPolarHBondContact CA-OE2 3.44Å; R659-E707 VanDerWaalsContact CB-OE2 3.25Å; R659-E707 WeakPolarHBondContact CB-OE2 3.43Å; R659-E707 PolarHBondContact N-OE1 3.33Å; E707-V709 HydrophobicContact CB-CG2 4.34Å; E707-V709 HydrophobicContact CG-CG2 4.32Å; E707-Y744 PolarHBondContact N-O 3.38Å; E707-Y744 PolarHBondContact O-N 2.81Å; E707-F746 HydrophobicContact CB-CE1 4.32Å
708	A	97.9	Very high	95.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	118.7	171.9	0	0	0	0	0	109.1	G657 E658 A660 Y684 I687 L724	G657-A708 WeakPolarHBondContact CA-O 3.32Å; E658-A708 PolarHBondContact N-O 3.49Å; E658-A708 PolarHBondContact O-N 2.89Å; A660-A708 HydrophobicContact CB-CB 4.23Å; Y684-A708 HydrophobicContact CE1-CB 4.34Å; I687-A708 HydrophobicContact CD1-CB 4.21Å; A708-L724 VanDerWaalsContact O-CD2 3.24Å; A708-L724 WeakPolarHBondContact O-CD2 3.4Å
709	V	97.9	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.3	-170.5	-176.4	0	0	0	0	109.3	Y655 E707 I718 V741 C742 Y744	Y655-V709 HydrophobicContact CD1-CG2 4.4Å; Y655-V709 HydrophobicContact CG-CG2 4.32Å; E707-V709 HydrophobicContact CB-CG2 4.34Å; E707-V709 HydrophobicContact CG-CG2 4.32Å; V709-I718 HydrophobicContact CG1-CB 4.41Å; V709-I718 HydrophobicContact CG1-CG1 4.12Å; V709-I718 HydrophobicContact CG1-CG2 3.69Å; V709-V741 CarbonylContact O-C 3.59Å; V709-V741 WeakPolarHBondContact O-CA 3.27Å; V709-V741 VanDerWaalsContact O-CB 3.29Å; V709-V741 WeakPolarHBondContact O-CB 3.45Å; V709-C742 PolarHBondContact N-O 2.97Å; V709-C742 PolarHBondContact O-N 2.9Å; V709-Y744 HydrophobicContact CB-CD2 3.99Å; V709-Y744 HydrophobicContact CB-CE2 3.94Å; V709-Y744 HydrophobicContact CG1-CE2 4.44Å; V709-Y744 HydrophobicContact CG2-CD2 3.6Å; V709-Y744 HydrophobicContact CG2-CE2 4Å
710	A	96.3	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	137.4	175.5	0	0	0	0	0	110.5	Q719 V723 L724 V739	A710-Q719 HydrophobicContact CB-CB 3.83Å; A710-Q719 PolarHBondContact O-N 2.91Å; A710-V723 HydrophobicContact CB-CB 4.43Å; A710-L724 HydrophobicContact CB-CB 3.94Å; A710-L724 HydrophobicContact CB-CD1 4.37Å; A710-V739 HydrophobicContact CB-CG1 3.95Å
711	W	96.2	Very high	94.9	Very high	24 Å²	24	36.6 Å²	36.6	9%	0.091	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	125.7	-170.9	-179.6	-90	0	0	0	111.7	R713 K716 I718 Q740 C742 Y744 E776 G777	W711-R713 PolarHBondContact O-N 2.97Å; W711-K716 VanDerWaalsContact CH2-C 3.46Å; W711-K716 WeakPolarHBondContact CH2-O 3.48Å; W711-K716 HydrophobicContact CZ2-CB 4.04Å; W711-K716 WeakPolarHBondContact CZ2-O 3.29Å; W711-I718 HydrophobicContact CE3-CG1 4.14Å; W711-I718 HydrophobicContact CZ3-CG1 4.13Å; W711-Q740 PolarHBondContact N-O 3.18Å; W711-C742 HydrophobicContact CB-CB 3.95Å; W711-C742 HydrophobicContact CD2-CB 4.19Å; W711-C742 HydrophobicContact CE3-CB 4.19Å; W711-C742 HydrophobicContact CG-CB 4.1Å; W711-Y744 VanDerWaalsContact CZ3-OH 3.31Å; W711-Y744 WeakPolarHBondContact CZ3-OH 3.33Å; W711-E776 HydrophobicContact CZ2-CG 4.39Å; W711-G777 VanDerWaalsContact CE2-CA 3.48Å
712	D	94.4	Very high	94.3	Very high	26 Å²	26	40 Å²	40	14%	0.139	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.5	171.8	-161.8	-50.9	0	0	0	109.6	E714 K715 K716 Q717 Q719	D712-E714 VanDerWaalsContact C-N 3.32Å; D712-E714 PolarHBondContact OD1-N 2.9Å; D712-K715 HydrophobicContact CB-CB 4.2Å; D712-K715 PolarHBondContact OD1-N 3.1Å; D712-K716 WeakPolarHBondContact O-CA 3.43Å; D712-K716 PolarHBondContact O-N 3.02Å; D712-Q717 HydrophobicContact CB-CG 3.98Å; D712-Q717 WeakPolarHBondContact CB-O 3.49Å; D712-Q717 PolarHBondContact N-O 3.5Å; D712-Q717 PolarHBondContact O-N 3.44Å; D712-Q719 HydrophobicContact CB-CG 3.91Å; D712-Q719 PolarHBondContact OD2-NE2 3.04Å
713	R	92.2	Very high	93.9	Very high	116 Å²	116	41.3 Å²	41.3	44%	0.438	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-19.8	179.6	-73.3	-166.8	-172.8	-115.8	8.5	113.3	W711 Q740 E778	W711-R713 PolarHBondContact O-N 2.97Å; R713-Q740 HydrophobicContact CG-CB 4.26Å; R713-Q740 HydrophobicContact CG-CG 4.15Å; R713-E778 IonicContact CZ-OE1 2.67Å; R713-E778 IonicContact NH1-OE1 3.85Å; R713-E778 PolarHBondContact NH1-OE1 2.84Å; R713-E778 IonicContact NH2-OE1 3.86Å; R713-E778 PolarHBondContact NH2-OE1 3.29Å
714	E	91.9	Very high	93.6	Very high	185 Å²	185	41.3 Å²	41.3	86%	0.864	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-49.9	-176	-61.5	-176.6	-176.8	0	0	110.6	D712 K716	D712-E714 VanDerWaalsContact C-N 3.32Å; D712-E714 PolarHBondContact OD1-N 2.9Å; E714-K716 VanDerWaalsContact C-N 3.26Å; E714-K716 PolarHBondContact O-N 3.12Å
715	K	91.4	Very high	93.2	Very high	109 Å²	109	44.2 Å²	44.2	47%	0.474	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.1	174	-61	178.4	-179.7	174.9	0	113.2	D712 Q717 Q992	D712-K715 HydrophobicContact CB-CB 4.2Å; D712-K715 PolarHBondContact OD1-N 3.1Å; K715-Q717 HydrophobicContact CB-CG 3.85Å; K715-Q717 PolarHBondContact O-N 3.16Å; K715-Q992 PolarHBondContact NZ-O 2.84Å
716	K	93.9	Very high	92.7	Very high	114 Å²	114	49 Å²	49	50%	0.496	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	51	-179	-69.6	179	148.6	-146.2	0	113.4	W711 D712 E714 E776	W711-K716 VanDerWaalsContact CH2-C 3.46Å; W711-K716 WeakPolarHBondContact CH2-O 3.48Å; W711-K716 HydrophobicContact CZ2-CB 4.04Å; W711-K716 WeakPolarHBondContact CZ2-O 3.29Å; D712-K716 WeakPolarHBondContact O-CA 3.43Å; D712-K716 PolarHBondContact O-N 3.02Å; E714-K716 VanDerWaalsContact C-N 3.26Å; E714-K716 PolarHBondContact O-N 3.12Å; K716-E776 WeakPolarHBondContact CD-OE1 3.3Å; K716-E776 WeakPolarHBondContact CE-OE1 3.21Å; K716-E776 WeakPolarHBondContact CE-OE2 3.41Å; K716-E776 IonicContact NZ-OE1 2.61Å; K716-E776 PolarHBondContact NZ-OE1 3.39Å; K716-E776 IonicContact NZ-OE2 2.63Å; K716-E776 PolarHBondContact NZ-OE2 3.32Å
717	Q	92.3	Very high	92.3	Very high	44 Å²	44	49.7 Å²	49.7	21%	0.206	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160.2	-174.2	66.6	-178.4	10.4	0	0	114.6	D712 K715 N991	D712-Q717 HydrophobicContact CB-CG 3.98Å; D712-Q717 WeakPolarHBondContact CB-O 3.49Å; D712-Q717 PolarHBondContact N-O 3.5Å; D712-Q717 PolarHBondContact O-N 3.44Å; K715-Q717 HydrophobicContact CB-CG 3.85Å; K715-Q717 PolarHBondContact O-N 3.16Å; Q717-N991 PolarHBondContact NE2-O 3.08Å; Q717-N991 PolarHBondContact OE1-O 2.84Å
718	I	94.7	Very high	91.8	Very high	19 Å²	19	53.6 Å²	53.6	10%	0.097	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	130.3	172.7	-71.3	169.8	0	0	0	109.9	Y655 V709 W711 Y744	Y655-I718 HydrophobicContact CD1-CD1 3.89Å; Y655-I718 HydrophobicContact CE1-CD1 4.02Å; V709-I718 HydrophobicContact CG1-CB 4.41Å; V709-I718 HydrophobicContact CG1-CG1 4.12Å; V709-I718 HydrophobicContact CG1-CG2 3.69Å; W711-I718 HydrophobicContact CE3-CG1 4.14Å; W711-I718 HydrophobicContact CZ3-CG1 4.13Å; I718-Y744 HydrophobicContact CD1-CE2 4.39Å; I718-Y744 HydrophobicContact CG1-CE2 4.45Å
719	Q	91.6	Very high	91	Very high	34 Å²	34	62.7 Å²	62.7	16%	0.159	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-99.6	151.6	171.7	-66.2	178.3	-24.3	0	0	110.6	A710 D712 V723	A710-Q719 HydrophobicContact CB-CB 3.83Å; A710-Q719 PolarHBondContact O-N 2.91Å; D712-Q719 HydrophobicContact CB-CG 3.91Å; D712-Q719 PolarHBondContact OD2-NE2 3.04Å; Q719-V723 HydrophobicContact CB-CB 4.28Å; Q719-V723 HydrophobicContact CB-CG1 4.48Å; Q719-V723 HydrophobicContact CB-CG2 4.32Å
720	P	86.9	Confident	90.2	Very high	12 Å²	12	68.6 Å²	68.6	8%	0.078	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-58.9	153.7	-177.4	-23.7	31.9	0	0	0	114.2	Q722 V723 L724 Q988 Q992	P720-Q722 PolarHBondContact O-N 3.46Å; P720-Q722 VanDerWaalsContact O-N 3.07Å; P720-V723 WeakPolarHBondContact O-CB 3.45Å; P720-V723 PolarHBondContact O-N 3.45Å; P720-L724 PolarHBondContact O-N 3.03Å; P720-Q988 HydrophobicContact CG-CB 4.31Å; P720-Q992 VanDerWaalsContact CG-NE2 3.33Å
721	F	87.9	Confident	89.6	Confident	58 Å²	58	75 Å²	75	25%	0.254	35%	0.347	S	S	.	.	H	α-helix	trans	-53.4	-31.1	174	177.2	-96.4	0	0	0	113.6	D656 G657 E658 V723 L724 T725	D656-F721 WeakPolarHBondContact OD1-CB 3.27Å; D656-F721 WeakPolarHBondContact OD2-CB 3.42Å; G657-F721 WeakPolarHBondContact O-CD2 3.38Å; G657-F721 VanDerWaalsContact O-CE2 3.32Å; G657-F721 WeakPolarHBondContact O-CE2 3.33Å; E658-F721 HydrophobicContact CG-CE2 4.01Å; F721-V723 VanDerWaalsContact C-N 3.28Å; F721-V723 PolarHBondContact O-N 3.37Å; F721-L724 HydrophobicContact CD2-CD2 4.28Å; F721-L724 WeakPolarHBondContact O-CB 3.15Å; F721-L724 PolarHBondContact O-N 2.89Å; F721-T725 HydrophobicContact CD1-CG2 3.89Å; F721-T725 HydrophobicContact CE1-CG2 3.35Å; F721-T725 HydrophobicContact CE2-CG2 4.2Å; F721-T725 HydrophobicContact CZ-CG2 3.52Å; F721-T725 WeakPolarHBondContact O-CG2 3.45Å; F721-T725 PolarHBondContact O-N 2.77Å
722	Q	84.6	Confident	89.1	Confident	73 Å²	73	74.5 Å²	74.5	34%	0.341	35%	0.347	S	S	.	.	H	α-helix	trans	-55.9	-43.3	173.8	-67.1	-155.1	-97.2	0	0	111.8	P720 T725 T726 S936 L937	P720-Q722 PolarHBondContact O-N 3.46Å; P720-Q722 VanDerWaalsContact O-N 3.07Å; Q722-T725 PolarHBondContact O-N 2.92Å; Q722-T725 PolarHBondContact O-OG1 3.28Å; Q722-T726 PolarHBondContact O-N 3.12Å; Q722-S936 VanDerWaalsContact OE1-CA 3.31Å; Q722-L937 PolarHBondContact NE2-O 2.91Å; Q722-L937 VanDerWaalsContact NE2-O 3.07Å
723	V	89.9	Confident	88.7	Confident	26 Å²	26	77.6 Å²	77.6	16%	0.158	36%	0.363	C	S	.	.	H	α-helix	trans	-63.3	-44.9	178.6	-173.4	0	0	0	0	110.2	A710 Q719 P720 F721 T725 T726 V739	A710-V723 HydrophobicContact CB-CB 4.43Å; Q719-V723 HydrophobicContact CB-CB 4.28Å; Q719-V723 HydrophobicContact CB-CG1 4.48Å; Q719-V723 HydrophobicContact CB-CG2 4.32Å; P720-V723 WeakPolarHBondContact O-CB 3.45Å; P720-V723 PolarHBondContact O-N 3.45Å; F721-V723 VanDerWaalsContact C-N 3.28Å; F721-V723 PolarHBondContact O-N 3.37Å; V723-T725 VanDerWaalsContact C-N 3.26Å; V723-T725 PolarHBondContact O-N 3Å; V723-T726 WeakPolarHBondContact O-CB 3.09Å; V723-T726 PolarHBondContact O-N 3.48Å; V723-T726 VanDerWaalsContact O-N 3.11Å; V723-T726 PolarHBondContact O-OG1 3.07Å; V723-V739 HydrophobicContact CG1-CG1 4.02Å; V723-V739 HydrophobicContact CG1-CG2 3.87Å
724	L	92	Very high	88.4	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-55.4	-40	175	-174.3	61.9	0	0	0	112.3	E658 A708 A710 P720 F721 T726 R727 V741	E658-L724 HydrophobicContact CB-CD2 4.14Å; E658-L724 HydrophobicContact CG-CD2 3.93Å; A708-L724 VanDerWaalsContact O-CD2 3.24Å; A708-L724 WeakPolarHBondContact O-CD2 3.4Å; A710-L724 HydrophobicContact CB-CB 3.94Å; A710-L724 HydrophobicContact CB-CD1 4.37Å; P720-L724 PolarHBondContact O-N 3.03Å; F721-L724 HydrophobicContact CD2-CD2 4.28Å; F721-L724 WeakPolarHBondContact O-CB 3.15Å; F721-L724 PolarHBondContact O-N 2.89Å; L724-T726 VanDerWaalsContact C-N 3.29Å; L724-T726 PolarHBondContact O-N 3.15Å; L724-R727 VanDerWaalsContact O-CB 3.25Å; L724-R727 WeakPolarHBondContact O-CB 3.21Å; L724-R727 PolarHBondContact O-N 3.5Å; L724-V741 HydrophobicContact CD1-CG1 3.55Å
725	T	88.9	Confident	88.2	Confident	61 Å²	61	71 Å²	71	37%	0.374	36%	0.359	S	S	.	.	H	α-helix	trans	-71.8	-15.3	-179.5	64	0	0	0	0	115.3	F721 Q722 V723 R727	F721-T725 HydrophobicContact CD1-CG2 3.89Å; F721-T725 HydrophobicContact CE1-CG2 3.35Å; F721-T725 HydrophobicContact CE2-CG2 4.2Å; F721-T725 HydrophobicContact CZ-CG2 3.52Å; F721-T725 WeakPolarHBondContact O-CG2 3.45Å; F721-T725 PolarHBondContact O-N 2.77Å; Q722-T725 PolarHBondContact O-N 2.92Å; Q722-T725 PolarHBondContact O-OG1 3.28Å; V723-T725 VanDerWaalsContact C-N 3.26Å; V723-T725 PolarHBondContact O-N 3Å; T725-R727 PolarHBondContact O-N 3.1Å
726	T	89.5	Confident	88.1	Confident	100 Å²	100	70.8 Å²	70.8	61%	0.613	36%	0.36	S	S	*	.	H	α-helix	trans	-70.8	-21.3	173.4	70	0	0	0	0	112.5	Q722 V723 L724 V739	Q722-T726 PolarHBondContact O-N 3.12Å; V723-T726 WeakPolarHBondContact O-CB 3.09Å; V723-T726 PolarHBondContact O-N 3.48Å; V723-T726 VanDerWaalsContact O-N 3.11Å; V723-T726 PolarHBondContact O-OG1 3.07Å; L724-T726 VanDerWaalsContact C-N 3.29Å; L724-T726 PolarHBondContact O-N 3.15Å; T726-V739 WeakPolarHBondContact OG1-CG2 3.41Å
727	R	89.8	Confident	87.9	Confident	15 Å²	15	66.2 Å²	66.2	6%	0.057	34%	0.341	C	S	.	.	S	Bend	trans	-65.7	137	-175.4	-171.5	173.6	159.5	142.2	-6.7	111.5	K683 D686 L724 T725 R729 V739	K683-R727 PolarHBondContact O-NE 3.42Å; K683-R727 PolarHBondContact O-NH2 3.16Å; D686-R727 IonicContact OD1-CZ 2.7Å; D686-R727 IonicContact OD1-NH1 2.7Å; D686-R727 IonicContact OD1-NH2 2.65Å; D686-R727 PolarHBondContact OD1-NH2 2.99Å; D686-R727 IonicContact OD2-CZ 2.75Å; D686-R727 IonicContact OD2-NH1 2.76Å; D686-R727 PolarHBondContact OD2-NH1 3.26Å; D686-R727 IonicContact OD2-NH2 3.1Å; D686-R727 PolarHBondContact OD2-NH2 3.45Å; L724-R727 VanDerWaalsContact O-CB 3.25Å; L724-R727 WeakPolarHBondContact O-CB 3.21Å; L724-R727 PolarHBondContact O-N 3.5Å; T725-R727 PolarHBondContact O-N 3.1Å; R727-R729 PolarHBondContact O-N 3.13Å; R727-V739 HydrophobicContact CB-CB 4.42Å; R727-V739 PolarHBondContact NH1-O 3.26Å
728	K	86.6	Confident	87.8	Confident	110 Å²	110	71.9 Å²	71.9	48%	0.478	37%	0.365	S	S	.	.			trans	-50.3	136.9	177.5	-68.7	-173.3	-175.3	-175.4	0	110.7	V732 E736	K728-V732 HydrophobicContact CB-CG2 3.63Å; K728-V732 WeakPolarHBondContact O-CG2 3.4Å; K728-E736 IonicContact NZ-OE1 3.32Å; K728-E736 PolarHBondContact NZ-OE1 2.83Å; K728-E736 IonicContact NZ-OE2 3.88Å; K728-E736 PolarHBondContact NZ-OE2 2.92Å
729	R	81.2	Confident	87.7	Confident	190 Å²	190	71.8 Å²	71.8	72%	0.717	37%	0.365	S	S	*	.			trans	-89.8	-25	-167.9	-65.4	-173.7	-178.5	-174.2	0.5	115.9	R727	R727-R729 PolarHBondContact O-N 3.13Å
730	K	81.8	Confident	87.9	Confident	124 Å²	124	72.3 Å²	72.3	54%	0.539	37%	0.367	S	S	.	.	S	Bend	trans	-147.4	153.9	-178.3	-66.4	-171	177.8	-179.4	0	109	V732	K730-V732 VanDerWaalsContact C-N 3.3Å; K730-V732 PolarHBondContact O-N 2.98Å
731	D	83.2	Confident	88.4	Confident	134 Å²	134	71.7 Å²	71.7	72%	0.717	36%	0.364	S	S	*	.	S	Bend	trans	52.8	47	168.7	-49.6	-27.6	0	0	0	112.8	S682	S682-D731 WeakPolarHBondContact CB-OD1 3.45Å; S682-D731 PolarHBondContact O-N 3.49Å; S682-D731 PolarHBondContact OG-N 3.32Å; S682-D731 PolarHBondContact OG-OD1 3.34Å
732	V	86.1	Confident	88.8	Confident	15 Å²	15	69 Å²	69	9%	0.091	35%	0.352	C	S	.	.			trans	-82.3	127.6	-177.8	-172.1	0	0	0	0	109.4	S682 P685 K728 K730 I737	S682-V732 WeakPolarHBondContact O-CG2 3.44Å; S682-V732 PolarHBondContact O-N 3.01Å; P685-V732 WeakPolarHBondContact CG-O 3.02Å; K728-V732 HydrophobicContact CB-CG2 3.63Å; K728-V732 WeakPolarHBondContact O-CG2 3.4Å; K730-V732 VanDerWaalsContact C-N 3.3Å; K730-V732 PolarHBondContact O-N 2.98Å; V732-I737 HydrophobicContact CG1-CD1 4.21Å; V732-I737 HydrophobicContact CG1-CG1 3.77Å
733	D	85.9	Confident	89.5	Confident	90 Å²	90	65.6 Å²	65.6	48%	0.481	34%	0.336	S	S	.	.			trans	-81.5	140.4	166	-169.9	-76.3	0	0	0	109.9	S735 E736	D733-S735 PolarHBondContact O-N 2.88Å; D733-S735 WeakPolarHBondContact OD1-CB 3.43Å; D733-S735 PolarHBondContact OD1-N 3.1Å; D733-S735 PolarHBondContact OD1-OG 2.84Å; D733-E736 HydrophobicContact CB-CG 4.23Å; D733-E736 PolarHBondContact O-N 3.04Å
734	A	86.9	Confident	89.9	Confident	57 Å²	57	65 Å²	65	47%	0.471	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-60.8	-26.4	-177.8	0	0	0	0	0	113.4	P685 E736	P685-A734 HydrophobicContact CB-CB 4.39Å; P685-A734 HydrophobicContact CG-CB 4.23Å; A734-E736 VanDerWaalsContact C-N 3.34Å
735	S	87.1	Confident	90.2	Very high	107 Å²	107	65 Å²	65	75%	0.748	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-76.7	-14.7	176.6	63.8	0	0	0	0	114.5	D733	D733-S735 PolarHBondContact O-N 2.88Å; D733-S735 WeakPolarHBondContact OD1-CB 3.43Å; D733-S735 PolarHBondContact OD1-N 3.1Å; D733-S735 PolarHBondContact OD1-OG 2.84Å
736	E	88.4	Confident	90.7	Very high	104 Å²	104	63.3 Å²	63.3	49%	0.486	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-96.5	6.7	-179.6	-62.9	-172.2	133.8	0	0	113.5	K728 D733 A734 K738	K728-E736 IonicContact NZ-OE1 3.32Å; K728-E736 PolarHBondContact NZ-OE1 2.83Å; K728-E736 IonicContact NZ-OE2 3.88Å; K728-E736 PolarHBondContact NZ-OE2 2.92Å; D733-E736 HydrophobicContact CB-CG 4.23Å; D733-E736 PolarHBondContact O-N 3.04Å; A734-E736 VanDerWaalsContact C-N 3.34Å; E736-K738 PolarHBondContact O-N 3.28Å; E736-K738 VanDerWaalsContact O-N 3.12Å
737	I	90	Very high	91.1	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.092	29%	0.29	C	S	.	.			trans	-82.6	91.7	-174.3	-60.9	178.3	0	0	0	110.6	P685 D686 V732 V739 Q740	P685-I737 HydrophobicContact CG-CD1 3.89Å; D686-I737 HydrophobicContact CB-CD1 3.79Å; V732-I737 HydrophobicContact CG1-CD1 4.21Å; V732-I737 HydrophobicContact CG1-CG1 3.77Å; I737-V739 WeakPolarHBondContact CG2-O 3.39Å; I737-Q740 PolarHBondContact O-NE2 3.42Å
738	K	90.4	Very high	91.5	Very high	162 Å²	162	57.9 Å²	57.9	70%	0.704	29%	0.287	S	S	*	.			trans	-61.4	-60.2	163.5	-72.6	-163.4	174.8	-166.4	0	110.2	E736 Q740 Y1002	E736-K738 PolarHBondContact O-N 3.28Å; E736-K738 VanDerWaalsContact O-N 3.12Å; K738-Q740 PolarHBondContact O-N 3.35Å; K738-Y1002 PolarHBondContact NZ-O 2.89Å
739	V	93.1	Very high	92	Very high	18 Å²	18	52.6 Å²	52.6	11%	0.109	26%	0.264	C	S	.	.	S	Bend	trans	-80.9	105.4	-176.8	-179.1	0	0	0	0	112.3	A710 V723 T726 R727 I737	A710-V739 HydrophobicContact CB-CG1 3.95Å; V723-V739 HydrophobicContact CG1-CG1 4.02Å; V723-V739 HydrophobicContact CG1-CG2 3.87Å; T726-V739 WeakPolarHBondContact OG1-CG2 3.41Å; R727-V739 HydrophobicContact CB-CB 4.42Å; R727-V739 PolarHBondContact NH1-O 3.26Å; I737-V739 WeakPolarHBondContact CG2-O 3.39Å
740	Q	95.3	Very high	92.8	Very high	44 Å²	44	44.6 Å²	44.6	21%	0.206	23%	0.234	C	C	.	.			trans	-73.5	153.7	174	-58.5	-65.8	-49.9	0	0	111	W711 R713 I737 K738	W711-Q740 PolarHBondContact N-O 3.18Å; R713-Q740 HydrophobicContact CG-CB 4.26Å; R713-Q740 HydrophobicContact CG-CG 4.15Å; I737-Q740 PolarHBondContact O-NE2 3.42Å; K738-Q740 PolarHBondContact O-N 3.35Å
741	V	96.9	Very high	93.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.3	177.5	-58.9	0	0	0	0	112.5	Y684 I687 R690 V709 L724	Y684-V741 HydrophobicContact CD1-CG2 4.24Å; Y684-V741 HydrophobicContact CE1-CG1 4.45Å; Y684-V741 HydrophobicContact CE1-CG2 4.34Å; I687-V741 HydrophobicContact CD1-CG2 4.04Å; I687-V741 HydrophobicContact CG1-CG2 3.96Å; R690-V741 VanDerWaalsContact CZ-O 3.28Å; R690-V741 PolarHBondContact NH1-O 3.5Å; R690-V741 PolarHBondContact NH2-O 3.03Å; V709-V741 CarbonylContact O-C 3.59Å; V709-V741 WeakPolarHBondContact O-CA 3.27Å; V709-V741 VanDerWaalsContact O-CB 3.29Å; V709-V741 WeakPolarHBondContact O-CB 3.45Å; L724-V741 HydrophobicContact CD1-CG1 3.55Å
742	C	97.9	Very high	94.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	142.4	165.1	-173.4	0	0	0	0	109.1	V709 W711 Y744	V709-C742 PolarHBondContact N-O 2.97Å; V709-C742 PolarHBondContact O-N 2.9Å; W711-C742 HydrophobicContact CB-CB 3.95Å; W711-C742 HydrophobicContact CD2-CB 4.19Å; W711-C742 HydrophobicContact CE3-CB 4.19Å; W711-C742 HydrophobicContact CG-CB 4.1Å; C742-Y744 HydrophobicContact CB-CE2 3.93Å
743	V	98.4	Very high	94.6	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.9	174.8	178.4	0	0	0	0	109.1	I662 I687 T706 E778 F779 L780	I662-V743 HydrophobicContact CD1-CG1 4.08Å; I687-V743 HydrophobicContact CD1-CG2 3.7Å; I687-V743 HydrophobicContact CG1-CG2 3.88Å; I687-V743 HydrophobicContact CG2-CG2 3.99Å; T706-V743 HydrophobicContact CG2-CG1 3.8Å; V743-E778 PolarHBondContact N-O 2.81Å; V743-E778 VanDerWaalsContact N-O 3.09Å; V743-F779 HydrophobicContact CB-CD2 3.95Å; V743-F779 HydrophobicContact CG1-CD2 3.84Å; V743-F779 HydrophobicContact CG1-CE2 4.05Å; V743-F779 CarbonylContact O-C 3.4Å; V743-F779 WeakPolarHBondContact O-CA 3.31Å; V743-L780 PolarHBondContact O-N 3.12Å
744	Y	98.6	Very high	95	Very high	12 Å²	12	38.9 Å²	38.9	5%	0.047	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	103.7	173.2	-68.7	-85.8	0	0	0	109.8	Y655 T706 E707 V709 W711 I718 C742 L780	Y655-Y744 HydrophobicContact CD1-CD1 4.1Å; Y655-Y744 AromaticContact CD1-CD2 3.81Å; Y655-Y744 HydrophobicContact CD1-CD2 3.81Å; Y655-Y744 HydrophobicContact CD1-CE1 4.27Å; Y655-Y744 AromaticContact CD1-CE2 3.99Å; Y655-Y744 HydrophobicContact CD1-CE2 3.99Å; Y655-Y744 AromaticContact CD1-CG 3.85Å; Y655-Y744 HydrophobicContact CD1-CG 3.85Å; Y655-Y744 HydrophobicContact CD2-CG 4.1Å; Y655-Y744 AromaticContact CE1-CD1 3.4Å; Y655-Y744 HydrophobicContact CE1-CD1 3.4Å; Y655-Y744 VanDerWaalsContact CE1-CD1 3.4Å; Y655-Y744 AromaticContact CE1-CD2 3.95Å; Y655-Y744 HydrophobicContact CE1-CD2 3.95Å; Y655-Y744 AromaticContact CE1-CE1 3.45Å; Y655-Y744 HydrophobicContact CE1-CE1 3.45Å; Y655-Y744 VanDerWaalsContact CE1-CE1 3.45Å; Y655-Y744 AromaticContact CE1-CE2 3.99Å; Y655-Y744 HydrophobicContact CE1-CE2 3.99Å; Y655-Y744 AromaticContact CE1-CG 3.64Å; Y655-Y744 HydrophobicContact CE1-CG 3.64Å; Y655-Y744 AromaticContact CE1-CZ 3.75Å; Y655-Y744 AromaticContact CE2-CD1 3.9Å; Y655-Y744 HydrophobicContact CE2-CD1 3.9Å; Y655-Y744 AromaticContact CE2-CG 3.92Å; Y655-Y744 HydrophobicContact CE2-CG 3.92Å; Y655-Y744 HydrophobicContact CG-CD2 4.19Å; Y655-Y744 HydrophobicContact CG-CG 4.08Å; Y655-Y744 AromaticContact CZ-CD1 3.28Å; Y655-Y744 AromaticContact CZ-CE1 3.72Å; Y655-Y744 AromaticContact CZ-CG 3.69Å; Y655-Y744 WeakPolarHBondContact OH-CD1 3.19Å; T706-Y744 CarbonylContact C-O 3.43Å; T706-Y744 VanDerWaalsContact CA-O 3.26Å; T706-Y744 WeakPolarHBondContact CA-O 3.37Å; E707-Y744 PolarHBondContact N-O 3.38Å; E707-Y744 PolarHBondContact O-N 2.81Å; V709-Y744 HydrophobicContact CB-CD2 3.99Å; V709-Y744 HydrophobicContact CB-CE2 3.94Å; V709-Y744 HydrophobicContact CG1-CE2 4.44Å; V709-Y744 HydrophobicContact CG2-CD2 3.6Å; V709-Y744 HydrophobicContact CG2-CE2 4Å; W711-Y744 VanDerWaalsContact CZ3-OH 3.31Å; W711-Y744 WeakPolarHBondContact CZ3-OH 3.33Å; I718-Y744 HydrophobicContact CD1-CE2 4.39Å; I718-Y744 HydrophobicContact CG1-CE2 4.45Å; C742-Y744 HydrophobicContact CB-CE2 3.93Å; Y744-L780 CarbonylContact C-O 3.59Å; Y744-L780 WeakPolarHBondContact CA-O 3.26Å; Y744-L780 HydrophobicContact CD1-CB 3.86Å; Y744-L780 HydrophobicContact CD1-CD1 4.46Å; Y744-L780 HydrophobicContact CE1-CB 3.85Å; Y744-L780 HydrophobicContact CE1-CD1 3.6Å; Y744-L780 HydrophobicContact CE1-CG 4.31Å
745	A	98.5	Very high	95.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131	-176.8	0	0	0	0	0	112	T706 L768 F779 L780 F781 A782	T706-A745 HydrophobicContact CG2-CB 3.87Å; A745-L768 HydrophobicContact CB-CD1 4.24Å; A745-L768 HydrophobicContact CB-CD2 4.41Å; A745-F779 HydrophobicContact CB-CE1 4.23Å; A745-F779 HydrophobicContact CB-CE2 3.9Å; A745-F779 HydrophobicContact CB-CZ 3.52Å; A745-L780 PolarHBondContact N-O 3.26Å; A745-F781 HydrophobicContact CB-CD1 4.43Å; A745-F781 CarbonylContact O-C 3.6Å; A745-F781 WeakPolarHBondContact O-CA 3.37Å; A745-A782 PolarHBondContact O-N 3.37Å
746	F	98.3	Very high	95.8	Very high	25 Å²	25	32.8 Å²	32.8	11%	0.11	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	-5.9	-171.8	62	-110	0	0	0	115.2	E652 R659 D705 E707 A782 K811 W828	E652-F746 WeakPolarHBondContact OE2-CB 3.29Å; R659-F746 HydrophobicContact CG-CZ 4.12Å; D705-F746 HydrophobicContact CB-CD2 4.12Å; D705-F746 HydrophobicContact CB-CE2 3.59Å; D705-F746 HydrophobicContact CB-CZ 4.06Å; D705-F746 PolarHBondContact O-N 2.83Å; D705-F746 WeakPolarHBondContact OD1-CZ 3.32Å; E707-F746 HydrophobicContact CB-CE1 4.32Å; F746-A782 HydrophobicContact CB-CB 3.85Å; F746-K811 PolarHBondContact O-NZ 2.96Å; F746-W828 HydrophobicContact CD2-CH2 4.27Å; F746-W828 HydrophobicContact CE2-CH2 4.03Å; F746-W828 HydrophobicContact CE2-CZ3 4.31Å
747	D	98.3	Very high	96.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	158.6	169.1	-143.1	-38	0	0	0	112.2	D705 L749 R764 Y819 W828	D705-D747 HydrophobicContact CB-CB 3.79Å; D705-D747 PolarHBondContact N-O 3.46Å; D705-D747 PolarHBondContact O-N 3.46Å; D747-L749 HydrophobicContact CB-CD2 3.95Å; D747-R764 WeakPolarHBondContact OD1-CB 3.4Å; D747-R764 IonicContact OD1-CZ 3.77Å; D747-R764 IonicContact OD1-NE 3.15Å; D747-R764 PolarHBondContact OD1-NE 3.49Å; D747-R764 IonicContact OD1-NH2 3.41Å; D747-R764 IonicContact OD2-CZ 3.37Å; D747-R764 IonicContact OD2-NE 3.72Å; D747-R764 PolarHBondContact OD2-NE 3.3Å; D747-R764 IonicContact OD2-NH2 3.28Å; D747-R764 PolarHBondContact OD2-NH2 3.02Å; D747-Y819 WeakPolarHBondContact OD2-CD2 3.24Å; D747-W828 WeakPolarHBondContact OD2-CZ2 3.32Å
748	L	98.4	Very high	96.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	115.2	175.5	-178.8	73.1	0	0	0	108.9	C702 L704 L751 L756 R764 L767 L768 F772	C702-L748 HydrophobicContact CB-CD1 4.13Å; L704-L748 HydrophobicContact CD2-CD1 3.62Å; L704-L748 HydrophobicContact CG-CD1 4.3Å; L748-L751 HydrophobicContact CD2-CB 4.29Å; L748-L751 HydrophobicContact CD2-CD2 4.22Å; L748-L756 HydrophobicContact CD2-CD1 3.84Å; L748-L756 HydrophobicContact CG-CD1 3.88Å; L748-R764 WeakPolarHBondContact O-CD 3.32Å; L748-L767 HydrophobicContact CD2-CB 3.78Å; L748-L768 HydrophobicContact CB-CB 4.01Å; L748-L768 HydrophobicContact CB-CD1 4.4Å; L748-F772 HydrophobicContact CD1-CE2 4.43Å
749	L	97.5	Very high	96.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-18.6	-163.9	-49.5	-177.6	0	0	0	112.8	L620 L626 V703 D705 D747 L756 V757 Y819	L620-L749 WeakPolarHBondContact CD2-O 3.41Å; L626-L749 HydrophobicContact CD1-CD1 4.22Å; L626-L749 HydrophobicContact CD2-CD1 3.88Å; L626-L749 HydrophobicContact CG-CD1 4.47Å; V703-L749 HydrophobicContact CB-CB 4.32Å; V703-L749 HydrophobicContact CG1-CB 4.27Å; V703-L749 HydrophobicContact CG1-CD1 4.36Å; V703-L749 PolarHBondContact O-N 3.34Å; D705-L749 HydrophobicContact CB-CD1 4.08Å; D705-L749 HydrophobicContact CB-CG 4.42Å; D747-L749 HydrophobicContact CB-CD2 3.95Å; L749-L756 PolarHBondContact O-N 2.87Å; L749-V757 HydrophobicContact CB-CG1 4.37Å; L749-Y819 HydrophobicContact CD1-CE1 4.18Å; L749-Y819 HydrophobicContact CD1-CE2 4.05Å; L749-Y819 HydrophobicContact CD2-CD1 4.23Å; L749-Y819 HydrophobicContact CD2-CD2 3.3Å; L749-Y819 HydrophobicContact CD2-CE1 4.31Å; L749-Y819 HydrophobicContact CD2-CE2 3.37Å; L749-Y819 HydrophobicContact CD2-CG 3.74Å; L749-Y819 HydrophobicContact CG-CE2 4.37Å
750	Y	98.1	Very high	96.7	Very high	22 Å²	22	30.3 Å²	30.3	9%	0.086	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	142.9	179.6	-175.8	-83.7	0	0	0	109.2	L620 P622 C702 V703 G753 E754	L620-Y750 HydrophobicContact CD2-CD2 4.3Å; L620-Y750 HydrophobicContact CG-CD2 4.19Å; P622-Y750 HydrophobicContact CG-CD1 3.63Å; P622-Y750 HydrophobicContact CG-CE1 3.37Å; P622-Y750 HydrophobicContact CG-CG 4.31Å; C702-Y750 CarbonylContact C-O 3.59Å; C702-Y750 WeakPolarHBondContact CA-O 3.33Å; C702-Y750 WeakPolarHBondContact CB-O 3.37Å; V703-Y750 HydrophobicContact CG2-CG 4.4Å; V703-Y750 PolarHBondContact N-O 2.91Å; Y750-G753 VanDerWaalsContact OH-CA 3.27Å; Y750-G753 WeakPolarHBondContact OH-CA 3.35Å; Y750-E754 CarbonylContact C-O 3.59Å; Y750-E754 VanDerWaalsContact CA-O 3.27Å; Y750-E754 WeakPolarHBondContact CA-O 3.49Å; Y750-E754 VanDerWaalsContact CD2-O 3.28Å; Y750-E754 WeakPolarHBondContact CD2-O 3.28Å
751	L	98.2	Very high	96.8	Very high	21 Å²	21	28.2 Å²	28.2	11%	0.11	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	127.9	176	-177.2	64.7	0	0	0	110.7	V699 S701 C702 L748 G753 E754 L756 L767	V699-L751 HydrophobicContact CG1-CD1 3.94Å; V699-L751 HydrophobicContact CG2-CD1 4.26Å; S701-L751 CarbonylContact O-C 3.57Å; S701-L751 WeakPolarHBondContact O-CA 3.44Å; C702-L751 HydrophobicContact CB-CD1 4.28Å; L748-L751 HydrophobicContact CD2-CB 4.29Å; L748-L751 HydrophobicContact CD2-CD2 4.22Å; L751-G753 VanDerWaalsContact C-N 3.31Å; L751-G753 PolarHBondContact O-N 2.88Å; L751-G753 VanDerWaalsContact O-N 3.13Å; L751-E754 PolarHBondContact N-O 3.25Å; L751-E754 PolarHBondContact O-N 3.07Å; L751-L756 HydrophobicContact CB-CD1 4.06Å; L751-L767 HydrophobicContact CD2-CD2 4.03Å
752	N	96.4	Very high	96.9	Very high	74 Å²	74	30.1 Å²	30.1	40%	0.396	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	44.1	167.2	-64.9	-9.6	0	0	0	115.3	S698 V700 S701	S698-N752 PolarHBondContact O-ND2 2.89Å; V700-N752 PolarHBondContact N-OD1 3.34Å; S701-N752 PolarHBondContact N-OD1 3.46Å; S701-N752 PolarHBondContact O-N 2.67Å; S701-N752 PolarHBondContact O-OD1 2.96Å
753	G	93.9	Very high	96.9	Very high	47 Å²	47	34.6 Å²	34.6	49%	0.485	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	-24.4	-178	0	0	0	0	0	114.8	Y750 L751	Y750-G753 VanDerWaalsContact OH-CA 3.27Å; Y750-G753 WeakPolarHBondContact OH-CA 3.35Å; L751-G753 VanDerWaalsContact C-N 3.31Å; L751-G753 PolarHBondContact O-N 2.88Å; L751-G753 VanDerWaalsContact O-N 3.13Å
754	E	94.8	Very high	96.9	Very high	101 Å²	101	34.4 Å²	34.4	47%	0.472	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.7	-177.9	-166.7	-179.2	153.6	0	0	112.5	Y750 L751 L756 Q759	Y750-E754 CarbonylContact C-O 3.59Å; Y750-E754 VanDerWaalsContact CA-O 3.27Å; Y750-E754 WeakPolarHBondContact CA-O 3.49Å; Y750-E754 VanDerWaalsContact CD2-O 3.28Å; Y750-E754 WeakPolarHBondContact CD2-O 3.28Å; L751-E754 PolarHBondContact N-O 3.25Å; L751-E754 PolarHBondContact O-N 3.07Å; E754-L756 HydrophobicContact CB-CD2 4.48Å; E754-L756 HydrophobicContact CG-CD2 4.15Å; E754-Q759 PolarHBondContact OE1-NE2 2.84Å
755	S	94.9	Very high	96.9	Very high	34 Å²	34	35.2 Å²	35.2	24%	0.238	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.2	171.3	179.7	0	0	0	0	110.2	V757	S755-V757 VanDerWaalsContact C-N 3.35Å
756	L	96.4	Very high	96.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-86.4	-3	-173.1	-56.3	177.9	0	0	0	113.3	L748 L749 L751 E754 R758 Q759 R764 L767	L748-L756 HydrophobicContact CD2-CD1 3.84Å; L748-L756 HydrophobicContact CG-CD1 3.88Å; L749-L756 PolarHBondContact O-N 2.87Å; L751-L756 HydrophobicContact CB-CD1 4.06Å; E754-L756 HydrophobicContact CB-CD2 4.48Å; E754-L756 HydrophobicContact CG-CD2 4.15Å; L756-R758 PolarHBondContact O-N 3.09Å; L756-Q759 HydrophobicContact CB-CG 4.36Å; L756-Q759 HydrophobicContact CD2-CG 4.1Å; L756-Q759 WeakPolarHBondContact O-CB 3.13Å; L756-Q759 PolarHBondContact O-N 3.14Å; L756-R764 HydrophobicContact CB-CG 4.2Å; L756-R764 VanDerWaalsContact O-CD 3.27Å; L756-R764 WeakPolarHBondContact O-CD 3.22Å; L756-L767 HydrophobicContact CD1-CD1 3.82Å; L756-L767 HydrophobicContact CD2-CD1 3.92Å
757	V	93	Very high	96.8	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.024	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-58	-20.9	-174.2	-56.7	0	0	0	0	114.5	L620 L626 L749 S755 Y819 I821	L620-V757 HydrophobicContact CD2-CG1 3.81Å; L626-V757 HydrophobicContact CD1-CG1 4.24Å; L749-V757 HydrophobicContact CB-CG1 4.37Å; S755-V757 VanDerWaalsContact C-N 3.35Å; V757-Y819 PolarHBondContact O-N 3.1Å; V757-I821 HydrophobicContact CB-CD1 4.29Å; V757-I821 HydrophobicContact CG1-CD1 4.3Å; V757-I821 HydrophobicContact CG2-CD1 4.22Å
758	R	92.8	Very high	96.9	Very high	139 Å²	139	39.7 Å²	39.7	53%	0.525	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-95.8	-8.1	177.2	-68.4	169.7	176.6	79.6	5.3	113.9	E595 L756	E595-R758 IonicContact OE1-CZ 3.45Å; E595-R758 IonicContact OE1-NH1 3.49Å; E595-R758 PolarHBondContact OE1-NH1 2.82Å; E595-R758 VanDerWaalsContact OE1-NH1 3.09Å; E595-R758 IonicContact OE1-NH2 2.95Å; E595-R758 PolarHBondContact OE1-NH2 2.95Å; E595-R758 IonicContact OE2-CZ 3.49Å; E595-R758 IonicContact OE2-NH1 3.59Å; E595-R758 PolarHBondContact OE2-NH1 3.49Å; E595-R758 IonicContact OE2-NH2 3.67Å; L756-R758 PolarHBondContact O-N 3.09Å
759	Q	96.8	Very high	96.8	Very high	68 Å²	68	44.4 Å²	44.4	32%	0.318	22%	0.219	S	C	.	.	S	Bend	trans	-81.4	150.2	175.8	-56.1	-68.3	6.1	0	0	110.3	E754 L756 R764	E754-Q759 PolarHBondContact OE1-NE2 2.84Å; L756-Q759 HydrophobicContact CB-CG 4.36Å; L756-Q759 HydrophobicContact CD2-CG 4.1Å; L756-Q759 WeakPolarHBondContact O-CB 3.13Å; L756-Q759 PolarHBondContact O-N 3.14Å; Q759-R764 HydrophobicContact CB-CG 4.17Å; Q759-R764 PolarHBondContact O-NH1 2.81Å
760	P	97.4	Very high	96.8	Very high	39 Å²	39	49.2 Å²	49.2	25%	0.253	24%	0.241	S	C	.	.			trans	-67.3	153.2	175.8	29.4	-36	0	0	0	112.2	C762 R763 R764 A817	P760-C762 VanDerWaalsContact C-N 3.25Å; P760-C762 PolarHBondContact O-N 3.16Å; P760-R763 HydrophobicContact CG-CB 4.43Å; P760-R763 PolarHBondContact O-N 3.22Å; P760-R763 VanDerWaalsContact O-N 3.16Å; P760-R764 PolarHBondContact O-N 2.89Å; P760-A817 HydrophobicContact CB-CB 4.25Å
761	L	97.9	Very high	96.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.1	-35.5	-175.8	175	64.2	0	0	0	112.6	T650 R763 R764 R765 K811 T812 L813 A817	T650-L761 HydrophobicContact CG2-CD2 3.99Å; L761-R763 VanDerWaalsContact C-N 3.34Å; L761-R763 PolarHBondContact O-N 3.13Å; L761-R764 PolarHBondContact O-N 3.32Å; L761-R765 HydrophobicContact CD1-CB 4.45Å; L761-R765 VanDerWaalsContact O-CB 3.23Å; L761-R765 WeakPolarHBondContact O-CB 3.39Å; L761-R765 PolarHBondContact O-N 3Å; L761-K811 HydrophobicContact CD2-CB 3.46Å; L761-K811 VanDerWaalsContact CD2-CB 3.46Å; L761-K811 HydrophobicContact CD2-CD 3.53Å; L761-K811 HydrophobicContact CD2-CG 4.18Å; L761-T812 WeakPolarHBondContact CB-O 3.35Å; L761-T812 WeakPolarHBondContact CD2-O 3.26Å; L761-L813 HydrophobicContact CD2-CD2 4.23Å; L761-L813 HydrophobicContact CG-CD2 4.34Å; L761-L813 PolarHBondContact N-O 2.88Å; L761-A817 HydrophobicContact CB-CB 4.12Å; L761-A817 PolarHBondContact N-O 3.42Å
762	C	97.4	Very high	96.8	Very high	39 Å²	39	47.5 Å²	47.5	26%	0.264	23%	0.234	S	C	.	.	H	α-helix	trans	-51.7	-51.3	175.8	58.4	0	0	0	0	111.7	P760 R765 E766 L813 E814	P760-C762 VanDerWaalsContact C-N 3.25Å; P760-C762 PolarHBondContact O-N 3.16Å; C762-R765 PolarHBondContact O-N 2.88Å; C762-E766 VanDerWaalsContact O-CB 3.31Å; C762-E766 WeakPolarHBondContact O-CB 3.12Å; C762-E766 PolarHBondContact O-N 2.63Å; C762-L813 PolarHBondContact N-O 3.35Å; C762-L813 PolarHBondContact SG-O 3.33Å; C762-E814 HydrophobicContact CB-CG 4.38Å
763	R	98.2	Very high	96.9	Very high	94 Å²	94	47.1 Å²	47.1	36%	0.355	24%	0.235	S	C	.	.	H	α-helix	trans	-71	-34.2	179.4	-174.3	54.9	178.8	149	5.7	112.9	P760 L761 E766 L767 E770	P760-R763 HydrophobicContact CG-CB 4.43Å; P760-R763 PolarHBondContact O-N 3.22Å; P760-R763 VanDerWaalsContact O-N 3.16Å; L761-R763 VanDerWaalsContact C-N 3.34Å; L761-R763 PolarHBondContact O-N 3.13Å; R763-E766 WeakPolarHBondContact CD-OE2 3.2Å; R763-E766 IonicContact CZ-OE2 2.92Å; R763-E766 IonicContact NE-OE2 3.31Å; R763-E766 IonicContact NH1-OE2 2.63Å; R763-E766 PolarHBondContact NH1-OE2 3.39Å; R763-L767 HydrophobicContact CG-CD1 4.18Å; R763-L767 WeakPolarHBondContact O-CB 3.4Å; R763-L767 WeakPolarHBondContact O-CG 3.25Å; R763-L767 PolarHBondContact O-N 2.88Å; R763-E770 IonicContact CZ-OE2 2.83Å; R763-E770 IonicContact NH1-OE2 3.37Å; R763-E770 PolarHBondContact NH1-OE2 3.35Å; R763-E770 VanDerWaalsContact NH1-OE2 3.08Å
764	R	98.4	Very high	97.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.8	-42.2	175	-57.3	-164.9	-46.7	-90.2	1.7	111.9	D747 L748 L756 Q759 P760 L761 L768 A817	D747-R764 WeakPolarHBondContact OD1-CB 3.4Å; D747-R764 IonicContact OD1-CZ 3.77Å; D747-R764 IonicContact OD1-NE 3.15Å; D747-R764 PolarHBondContact OD1-NE 3.49Å; D747-R764 IonicContact OD1-NH2 3.41Å; D747-R764 IonicContact OD2-CZ 3.37Å; D747-R764 IonicContact OD2-NE 3.72Å; D747-R764 PolarHBondContact OD2-NE 3.3Å; D747-R764 IonicContact OD2-NH2 3.28Å; D747-R764 PolarHBondContact OD2-NH2 3.02Å; L748-R764 WeakPolarHBondContact O-CD 3.32Å; L756-R764 HydrophobicContact CB-CG 4.2Å; L756-R764 VanDerWaalsContact O-CD 3.27Å; L756-R764 WeakPolarHBondContact O-CD 3.22Å; Q759-R764 HydrophobicContact CB-CG 4.17Å; Q759-R764 PolarHBondContact O-NH1 2.81Å; P760-R764 PolarHBondContact O-N 2.89Å; L761-R764 PolarHBondContact O-N 3.32Å; R764-L768 WeakPolarHBondContact O-CB 3.47Å; R764-L768 PolarHBondContact O-N 2.78Å; R764-A817 PolarHBondContact NH1-O 3.08Å
765	R	98.3	Very high	97.2	Very high	29 Å²	29	47.2 Å²	47.2	11%	0.109	23%	0.226	C	C	.	.	H	α-helix	trans	-70.8	-34.4	177.9	-170.7	-179.5	66.9	160.6	3.6	112.3	T650 L761 C762 R769 D786	T650-R765 PolarHBondContact OG1-NH1 2.82Å; T650-R765 VanDerWaalsContact OG1-NH1 3.09Å; L761-R765 HydrophobicContact CD1-CB 4.45Å; L761-R765 VanDerWaalsContact O-CB 3.23Å; L761-R765 WeakPolarHBondContact O-CB 3.39Å; L761-R765 PolarHBondContact O-N 3Å; C762-R765 PolarHBondContact O-N 2.88Å; R765-R769 WeakPolarHBondContact O-CG 3.36Å; R765-R769 PolarHBondContact O-N 2.74Å; R765-D786 IonicContact CZ-OD1 3.67Å; R765-D786 IonicContact CZ-OD2 3.72Å; R765-D786 IonicContact NH1-OD1 3.6Å; R765-D786 PolarHBondContact NH1-OD1 3.35Å; R765-D786 IonicContact NH1-OD2 2.68Å; R765-D786 PolarHBondContact NH1-OD2 3.46Å; R765-D786 VanDerWaalsContact NH1-OD2 3.15Å; R765-D786 IonicContact NH2-OD1 3.54Å; R765-D786 IonicContact NH2-OD2 2.83Å; R765-D786 PolarHBondContact NH2-OD2 2.77Å
766	E	98.2	Very high	97.3	Very high	96 Å²	96	50.9 Å²	50.9	45%	0.449	24%	0.239	S	C	.	.	H	α-helix	trans	-62.7	-57.6	169.5	-177.4	179.4	-124.2	0	0	110.6	C762 R763 L768 R769 E770	C762-E766 VanDerWaalsContact O-CB 3.31Å; C762-E766 WeakPolarHBondContact O-CB 3.12Å; C762-E766 PolarHBondContact O-N 2.63Å; R763-E766 WeakPolarHBondContact CD-OE2 3.2Å; R763-E766 IonicContact CZ-OE2 2.92Å; R763-E766 IonicContact NE-OE2 3.31Å; R763-E766 IonicContact NH1-OE2 2.63Å; R763-E766 PolarHBondContact NH1-OE2 3.39Å; E766-L768 PolarHBondContact O-N 2.96Å; E766-L768 VanDerWaalsContact O-N 3.17Å; E766-R769 CarbonylContact O-C 3.6Å; E766-R769 WeakPolarHBondContact O-CA 3.22Å; E766-R769 PolarHBondContact O-N 2.91Å; E766-E770 HydrophobicContact CG-CG 4.4Å; E766-E770 WeakPolarHBondContact O-CG 3.39Å; E766-E770 PolarHBondContact O-N 3.17Å
767	L	98.5	Very high	97.2	Very high	22 Å²	22	51 Å²	51	12%	0.115	24%	0.241	C	C	.	.	H	α-helix	trans	-55.7	-35.2	177.2	-77	168.1	0	0	0	113.1	L748 L751 L756 R763 S771	L748-L767 HydrophobicContact CD2-CB 3.78Å; L751-L767 HydrophobicContact CD2-CD2 4.03Å; L756-L767 HydrophobicContact CD1-CD1 3.82Å; L756-L767 HydrophobicContact CD2-CD1 3.92Å; R763-L767 HydrophobicContact CG-CD1 4.18Å; R763-L767 WeakPolarHBondContact O-CB 3.4Å; R763-L767 WeakPolarHBondContact O-CG 3.25Å; R763-L767 PolarHBondContact O-N 2.88Å; L767-S771 WeakPolarHBondContact O-CB 3.35Å; L767-S771 PolarHBondContact O-N 3.17Å; L767-S771 PolarHBondContact O-OG 3.02Å
768	L	98.4	Very high	97.4	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-47.9	173.2	176.4	58.6	0	0	0	112	L704 A745 L748 R764 E766 S771 F772 F781	L704-L768 HydrophobicContact CD2-CD1 3.42Å; L704-L768 VanDerWaalsContact CD2-CD1 3.42Å; A745-L768 HydrophobicContact CB-CD1 4.24Å; A745-L768 HydrophobicContact CB-CD2 4.41Å; L748-L768 HydrophobicContact CB-CB 4.01Å; L748-L768 HydrophobicContact CB-CD1 4.4Å; R764-L768 WeakPolarHBondContact O-CB 3.47Å; R764-L768 PolarHBondContact O-N 2.78Å; E766-L768 PolarHBondContact O-N 2.96Å; E766-L768 VanDerWaalsContact O-N 3.17Å; L768-S771 PolarHBondContact O-N 3.48Å; L768-F772 HydrophobicContact CD1-CD2 4.02Å; L768-F772 PolarHBondContact O-N 3.18Å; L768-F781 HydrophobicContact CD1-CD1 4.37Å; L768-F781 HydrophobicContact CD1-CE1 3.97Å; L768-F781 HydrophobicContact CD2-CD1 4.15Å; L768-F781 HydrophobicContact CD2-CE1 4.47Å; L768-F781 HydrophobicContact CG-CD1 3.89Å; L768-F781 HydrophobicContact CG-CE1 3.72Å
769	R	98	Very high	97.6	Very high	99 Å²	99	45.2 Å²	45.2	37%	0.374	22%	0.219	S	C	.	.	H	α-helix	trans	-70.7	-34.2	177.8	-69.4	172.5	176.3	173	0.2	112.1	K696 R765 E766 F781 S784	K696-R769 PolarHBondContact NZ-O 3.07Å; K696-R769 VanDerWaalsContact NZ-O 3.16Å; R765-R769 WeakPolarHBondContact O-CG 3.36Å; R765-R769 PolarHBondContact O-N 2.74Å; E766-R769 CarbonylContact O-C 3.6Å; E766-R769 WeakPolarHBondContact O-CA 3.22Å; E766-R769 PolarHBondContact O-N 2.91Å; R769-F781 HydrophobicContact CB-CE2 4.36Å; R769-F781 HydrophobicContact CB-CZ 4.39Å; R769-F781 HydrophobicContact CG-CD2 4.02Å; R769-F781 HydrophobicContact CG-CE1 4.44Å; R769-F781 HydrophobicContact CG-CE2 3.92Å; R769-F781 HydrophobicContact CG-CG 4.33Å; R769-F781 HydrophobicContact CG-CZ 4.15Å; R769-S784 PolarHBondContact NH2-OG 3.48Å
770	E	97.8	Very high	97.7	Very high	100 Å²	100	43.6 Å²	43.6	47%	0.467	21%	0.213	S	C	.	.	H	α-helix	trans	-66.1	-37.7	172.5	-69.7	-177.3	137.5	0	0	112.2	K696 R763 E766	K696-E770 WeakPolarHBondContact CD-O 3.29Å; K696-E770 PolarHBondContact NZ-O 2.83Å; R763-E770 IonicContact CZ-OE2 2.83Å; R763-E770 IonicContact NH1-OE2 3.37Å; R763-E770 PolarHBondContact NH1-OE2 3.35Å; R763-E770 VanDerWaalsContact NH1-OE2 3.08Å; E766-E770 HydrophobicContact CG-CG 4.4Å; E766-E770 WeakPolarHBondContact O-CG 3.39Å; E766-E770 PolarHBondContact O-N 3.17Å
771	S	98.1	Very high	97.8	Very high	6 Å²	6	43 Å²	43	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-87.2	-22.6	-171.2	-63.2	0	0	0	0	115.5	K696 L767 L768	K696-S771 WeakPolarHBondContact CB-O 3.45Å; K696-S771 PolarHBondContact N-O 3.44Å; K696-S771 VanDerWaalsContact N-O 3.12Å; L767-S771 WeakPolarHBondContact O-CB 3.35Å; L767-S771 PolarHBondContact O-N 3.17Å; L767-S771 PolarHBondContact O-OG 3.02Å; L768-S771 PolarHBondContact O-N 3.48Å
772	F	98.1	Very high	97.8	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-126.5	165.9	-174.2	-66.4	-92.5	0	0	0	112.7	V694 K695 K696 V699 L704 L748 L768 F779 F781	V694-F772 CarbonylContact O-C 3.51Å; V694-F772 VanDerWaalsContact O-CA 3.23Å; V694-F772 WeakPolarHBondContact O-CA 3.14Å; V694-F772 WeakPolarHBondContact O-CD1 3.45Å; K695-F772 HydrophobicContact CB-CD1 4.16Å; K695-F772 HydrophobicContact CB-CE1 3.76Å; K695-F772 HydrophobicContact CG-CE1 3.9Å; K695-F772 HydrophobicContact CG-CZ 4.3Å; K696-F772 WeakPolarHBondContact CE-O 3.3Å; K696-F772 PolarHBondContact NZ-O 3.04Å; V699-F772 HydrophobicContact CG1-CZ 4.47Å; L704-F772 HydrophobicContact CD1-CE1 4.01Å; L704-F772 HydrophobicContact CD1-CE2 4.32Å; L704-F772 HydrophobicContact CD1-CZ 3.79Å; L704-F772 HydrophobicContact CD2-CD2 4.35Å; L704-F772 HydrophobicContact CD2-CE2 3.82Å; L704-F772 HydrophobicContact CD2-CZ 4.13Å; L704-F772 HydrophobicContact CG-CE2 4.41Å; L704-F772 HydrophobicContact CG-CZ 4.23Å; L748-F772 HydrophobicContact CD1-CE2 4.43Å; L768-F772 HydrophobicContact CD1-CD2 4.02Å; L768-F772 PolarHBondContact O-N 3.18Å; F772-F779 HydrophobicContact CB-CE1 3.75Å; F772-F779 HydrophobicContact CB-CZ 4.12Å; F772-F779 HydrophobicContact CD1-CE1 4.3Å; F772-F779 AromaticContact CD1-CZ 3.99Å; F772-F779 HydrophobicContact CD1-CZ 3.99Å; F772-F779 HydrophobicContact CG-CE1 4.18Å; F772-F779 HydrophobicContact CG-CZ 4.03Å; F772-F781 HydrophobicContact CB-CE1 4.11Å; F772-F781 HydrophobicContact CB-CZ 4.03Å
773	T	97.8	Very high	97.8	Very high	67 Å²	67	47.6 Å²	47.6	41%	0.411	22%	0.219	S	C	.	.			trans	-128.5	137.3	178.2	-52.9	0	0	0	0	109.2	V694 K696	V694-T773 WeakPolarHBondContact CB-O 3.39Å; V694-T773 PolarHBondContact O-N 2.84Å; K696-T773 WeakPolarHBondContact CE-OG1 3.39Å
774	E	97.6	Very high	97.8	Very high	100 Å²	100	44.7 Å²	44.7	47%	0.467	21%	0.213	S	C	.	.			trans	-77.7	141.1	-179.3	-66	-170	114.4	0	0	112.6	F779 L780 F781	E774-F779 CarbonylContact C-O 3.58Å; E774-F779 WeakPolarHBondContact CA-O 3.42Å; E774-L780 HydrophobicContact CB-CD2 4.01Å; E774-L780 HydrophobicContact CG-CD2 4.4Å; E774-F781 HydrophobicContact CG-CD2 3.49Å; E774-F781 VanDerWaalsContact CG-CD2 3.49Å; E774-F781 HydrophobicContact CG-CE2 3.56Å; E774-F781 HydrophobicContact CG-CG 4.29Å; E774-F781 HydrophobicContact CG-CZ 4.4Å; E774-F781 WeakPolarHBondContact OE1-CD2 3.29Å; E774-F781 PolarHBondContact OE1-N 2.91Å
775	V	97.7	Very high	97.7	Very high	50 Å²	50	46.9 Å²	46.9	30%	0.303	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-139.6	113.3	173.4	176.4	0	0	0	0	107.9	V694 G777 E778 F779	V694-V775 HydrophobicContact CG1-CB 4.11Å; V694-V775 HydrophobicContact CG1-CG2 3.74Å; V775-G777 PolarHBondContact O-N 3.06Å; V775-E778 HydrophobicContact CB-CB 4.2Å; V775-E778 HydrophobicContact CG1-CB 3.88Å; V775-E778 HydrophobicContact CG1-CG 4.01Å; V775-E778 PolarHBondContact O-N 3.38Å; V775-F779 CarbonylContact C-O 3.48Å; V775-F779 PolarHBondContact N-O 3.45Å; V775-F779 PolarHBondContact O-N 2.98Å; V775-F779 VanDerWaalsContact O-O 3.1Å
776	E	96.4	Very high	97.6	Very high	110 Å²	110	49.4 Å²	49.4	51%	0.514	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	128.7	-178.6	-172.1	-170.7	-166.9	0	0	112.4	W711 K716 E778	W711-E776 HydrophobicContact CZ2-CG 4.39Å; K716-E776 WeakPolarHBondContact CD-OE1 3.3Å; K716-E776 WeakPolarHBondContact CE-OE1 3.21Å; K716-E776 WeakPolarHBondContact CE-OE2 3.41Å; K716-E776 IonicContact NZ-OE1 2.61Å; K716-E776 PolarHBondContact NZ-OE1 3.39Å; K716-E776 IonicContact NZ-OE2 2.63Å; K716-E776 PolarHBondContact NZ-OE2 3.32Å; E776-E778 PolarHBondContact O-N 3Å; E776-E778 VanDerWaalsContact O-N 3.16Å
777	G	94.4	Very high	97.2	Very high	4 Å²	4	46.2 Å²	46.2	4%	0.041	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-0.6	-178.1	0	0	0	0	0	115.8	R690 W711 V775	R690-G777 PolarHBondContact NH1-O 2.96Å; W711-G777 VanDerWaalsContact CE2-CA 3.48Å; V775-G777 PolarHBondContact O-N 3.06Å
778	E	96.4	Very high	96.6	Very high	19 Å²	19	49.8 Å²	49.8	9%	0.089	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-54.6	176.4	-57	-152.7	149.3	0	0	112.6	R690 K693 R713 V743 V775 E776	R690-E778 VanDerWaalsContact CD-OE1 3.25Å; R690-E778 WeakPolarHBondContact CD-OE1 3.37Å; R690-E778 VanDerWaalsContact CD-OE2 3.28Å; R690-E778 WeakPolarHBondContact CD-OE2 3.26Å; K693-E778 IonicContact NZ-OE1 2.6Å; K693-E778 PolarHBondContact NZ-OE1 3.36Å; K693-E778 IonicContact NZ-OE2 3.02Å; K693-E778 PolarHBondContact NZ-OE2 2.93Å; R713-E778 IonicContact CZ-OE1 2.67Å; R713-E778 IonicContact NH1-OE1 3.85Å; R713-E778 PolarHBondContact NH1-OE1 2.84Å; R713-E778 IonicContact NH2-OE1 3.86Å; R713-E778 PolarHBondContact NH2-OE1 3.29Å; V743-E778 PolarHBondContact N-O 2.81Å; V743-E778 VanDerWaalsContact N-O 3.09Å; V775-E778 HydrophobicContact CB-CB 4.2Å; V775-E778 HydrophobicContact CG1-CB 3.88Å; V775-E778 HydrophobicContact CG1-CG 4.01Å; V775-E778 PolarHBondContact O-N 3.38Å; E776-E778 PolarHBondContact O-N 3Å; E776-E778 VanDerWaalsContact O-N 3.16Å
779	F	98.3	Very high	96.2	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	124	179.2	-175.4	-86.7	0	0	0	110.2	V694 L704 V743 A745 F772 E774 V775 F781	V694-F779 HydrophobicContact CB-CB 4.11Å; V694-F779 HydrophobicContact CB-CD1 4.24Å; V694-F779 HydrophobicContact CB-CG 4.17Å; V694-F779 HydrophobicContact CG1-CB 3.75Å; V694-F779 HydrophobicContact CG1-CG 4.35Å; V694-F779 HydrophobicContact CG2-CB 4.09Å; V694-F779 HydrophobicContact CG2-CD1 4.45Å; V694-F779 HydrophobicContact CG2-CD2 4.18Å; V694-F779 HydrophobicContact CG2-CG 4.01Å; L704-F779 HydrophobicContact CD1-CE2 4.29Å; V743-F779 HydrophobicContact CB-CD2 3.95Å; V743-F779 HydrophobicContact CG1-CD2 3.84Å; V743-F779 HydrophobicContact CG1-CE2 4.05Å; V743-F779 CarbonylContact O-C 3.4Å; V743-F779 WeakPolarHBondContact O-CA 3.31Å; A745-F779 HydrophobicContact CB-CE1 4.23Å; A745-F779 HydrophobicContact CB-CE2 3.9Å; A745-F779 HydrophobicContact CB-CZ 3.52Å; F772-F779 HydrophobicContact CB-CE1 3.75Å; F772-F779 HydrophobicContact CB-CZ 4.12Å; F772-F779 HydrophobicContact CD1-CE1 4.3Å; F772-F779 AromaticContact CD1-CZ 3.99Å; F772-F779 HydrophobicContact CD1-CZ 3.99Å; F772-F779 HydrophobicContact CG-CE1 4.18Å; F772-F779 HydrophobicContact CG-CZ 4.03Å; E774-F779 CarbonylContact C-O 3.58Å; E774-F779 WeakPolarHBondContact CA-O 3.42Å; V775-F779 CarbonylContact C-O 3.48Å; V775-F779 PolarHBondContact N-O 3.45Å; V775-F779 PolarHBondContact O-N 2.98Å; V775-F779 VanDerWaalsContact O-O 3.1Å; F779-F781 HydrophobicContact CE1-CD1 4.37Å; F779-F781 AromaticContact CE1-CE1 3.93Å; F779-F781 HydrophobicContact CE1-CE1 3.93Å; F779-F781 HydrophobicContact CE1-CZ 4.5Å
780	L	98.4	Very high	95.8	Very high	34 Å²	34	51.5 Å²	51.5	18%	0.178	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157.2	177.8	-65.3	174.9	0	0	0	109.2	V743 Y744 A745 E774	V743-L780 PolarHBondContact O-N 3.12Å; Y744-L780 CarbonylContact C-O 3.59Å; Y744-L780 WeakPolarHBondContact CA-O 3.26Å; Y744-L780 HydrophobicContact CD1-CB 3.86Å; Y744-L780 HydrophobicContact CD1-CD1 4.46Å; Y744-L780 HydrophobicContact CE1-CB 3.85Å; Y744-L780 HydrophobicContact CE1-CD1 3.6Å; Y744-L780 HydrophobicContact CE1-CG 4.31Å; A745-L780 PolarHBondContact N-O 3.26Å; E774-L780 HydrophobicContact CB-CD2 4.01Å; E774-L780 HydrophobicContact CG-CD2 4.4Å
781	F	98.6	Very high	95.4	Very high	26 Å²	26	52.4 Å²	52.4	11%	0.114	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	154.8	163.8	-57.1	-57.2	0	0	0	109.7	A745 L768 R769 F772 E774 F779 R783	A745-F781 HydrophobicContact CB-CD1 4.43Å; A745-F781 CarbonylContact O-C 3.6Å; A745-F781 WeakPolarHBondContact O-CA 3.37Å; L768-F781 HydrophobicContact CD1-CD1 4.37Å; L768-F781 HydrophobicContact CD1-CE1 3.97Å; L768-F781 HydrophobicContact CD2-CD1 4.15Å; L768-F781 HydrophobicContact CD2-CE1 4.47Å; L768-F781 HydrophobicContact CG-CD1 3.89Å; L768-F781 HydrophobicContact CG-CE1 3.72Å; R769-F781 HydrophobicContact CB-CE2 4.36Å; R769-F781 HydrophobicContact CB-CZ 4.39Å; R769-F781 HydrophobicContact CG-CD2 4.02Å; R769-F781 HydrophobicContact CG-CE1 4.44Å; R769-F781 HydrophobicContact CG-CE2 3.92Å; R769-F781 HydrophobicContact CG-CG 4.33Å; R769-F781 HydrophobicContact CG-CZ 4.15Å; F772-F781 HydrophobicContact CB-CE1 4.11Å; F772-F781 HydrophobicContact CB-CZ 4.03Å; E774-F781 HydrophobicContact CG-CD2 3.49Å; E774-F781 VanDerWaalsContact CG-CD2 3.49Å; E774-F781 HydrophobicContact CG-CE2 3.56Å; E774-F781 HydrophobicContact CG-CG 4.29Å; E774-F781 HydrophobicContact CG-CZ 4.4Å; E774-F781 WeakPolarHBondContact OE1-CD2 3.29Å; E774-F781 PolarHBondContact OE1-N 2.91Å; F779-F781 HydrophobicContact CE1-CD1 4.37Å; F779-F781 AromaticContact CE1-CE1 3.93Å; F779-F781 HydrophobicContact CE1-CE1 3.93Å; F779-F781 HydrophobicContact CE1-CZ 4.5Å; F781-R783 PolarHBondContact O-N 3.48Å
782	A	98.3	Very high	95.1	Very high	7 Å²	7	53.7 Å²	53.7	6%	0.058	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-61.1	126.4	171.7	0	0	0	0	0	110.4	E652 Y655 A745 F746 S784	E652-A782 HydrophobicContact CB-CB 4.38Å; E652-A782 HydrophobicContact CG-CB 4.29Å; Y655-A782 HydrophobicContact CE2-CB 3.89Å; A745-A782 PolarHBondContact O-N 3.37Å; F746-A782 HydrophobicContact CB-CB 3.85Å; A782-S784 PolarHBondContact O-N 3.07Å
783	R	97.9	Very high	94.8	Very high	128 Å²	128	53.6 Å²	53.6	48%	0.483	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-61.5	121.7	178.6	-172.8	175.3	179.9	-177.4	4.3	108.7	E652 Y653 Y655 F781 F796 D803	E652-R783 CarbonylContact C-O 3.6Å; E652-R783 WeakPolarHBondContact CA-O 3.49Å; Y653-R783 HydrophobicContact CD1-CB 4.42Å; Y653-R783 HydrophobicContact CD2-CB 4.03Å; Y653-R783 HydrophobicContact CE2-CB 4.34Å; Y653-R783 HydrophobicContact CE2-CG 4.41Å; Y653-R783 HydrophobicContact CG-CB 4.06Å; Y653-R783 PolarHBondContact N-O 3.28Å; Y653-R783 PolarHBondContact OH-NH1 2.89Å; Y655-R783 PolarHBondContact OH-N 2.92Å; F781-R783 PolarHBondContact O-N 3.48Å; R783-F796 HydrophobicContact CG-CE2 4.34Å; R783-F796 HydrophobicContact CG-CZ 4.31Å; R783-D803 IonicContact CZ-OD2 2.71Å; R783-D803 IonicContact NH1-OD2 3.65Å; R783-D803 PolarHBondContact NH1-OD2 3.5Å
784	S	97.8	Very high	94.4	Very high	33 Å²	33	52.4 Å²	52.4	23%	0.231	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.5	-168.7	65.9	0	0	0	0	112.7	C651 R769 A782	C651-S784 CarbonylContact O-C 3.41Å; C651-S784 VanDerWaalsContact O-CA 3.26Å; C651-S784 WeakPolarHBondContact O-CA 3.47Å; R769-S784 PolarHBondContact NH2-OG 3.48Å; A782-S784 PolarHBondContact O-N 3.07Å
785	I	97.1	Very high	94.1	Very high	46 Å²	46	53.9 Å²	53.9	24%	0.236	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	145.8	157.4	65	171	0	0	0	110.4	T650 C651 F796	T650-I785 PolarHBondContact OG1-O 2.87Å; C651-I785 HydrophobicContact CB-CG1 3.85Å; C651-I785 PolarHBondContact N-O 3.5Å; C651-I785 PolarHBondContact O-N 2.88Å; I785-F796 HydrophobicContact CD1-CB 3.6Å; I785-F796 HydrophobicContact CD1-CD1 3.85Å; I785-F796 HydrophobicContact CD1-CD2 4.2Å; I785-F796 HydrophobicContact CD1-CG 3.63Å; I785-F796 HydrophobicContact CG1-CB 4.4Å; I785-F796 HydrophobicContact CG1-CD1 3.7Å; I785-F796 HydrophobicContact CG1-CD2 4.32Å; I785-F796 HydrophobicContact CG1-CE1 3.96Å; I785-F796 HydrophobicContact CG1-CG 3.9Å; I785-F796 HydrophobicContact CG1-CZ 4.37Å; I785-F796 HydrophobicContact CG2-CD2 3.82Å; I785-F796 HydrophobicContact CG2-CE1 4.48Å; I785-F796 HydrophobicContact CG2-CE2 3.7Å; I785-F796 HydrophobicContact CG2-CG 4.28Å; I785-F796 HydrophobicContact CG2-CZ 4.04Å
786	D	96.1	Very high	94	Very high	82 Å²	82	52.4 Å²	52.4	44%	0.439	28%	0.275	S	S	.	.			trans	-111.2	101.8	171.7	-62.3	-3.3	0	0	0	106	T650 R765	T650-D786 WeakPolarHBondContact CB-OD1 3.29Å; T650-D786 PolarHBondContact OG1-OD1 3.37Å; R765-D786 IonicContact CZ-OD1 3.67Å; R765-D786 IonicContact CZ-OD2 3.72Å; R765-D786 IonicContact NH1-OD1 3.6Å; R765-D786 PolarHBondContact NH1-OD1 3.35Å; R765-D786 IonicContact NH1-OD2 2.68Å; R765-D786 PolarHBondContact NH1-OD2 3.46Å; R765-D786 VanDerWaalsContact NH1-OD2 3.15Å; R765-D786 IonicContact NH2-OD1 3.54Å; R765-D786 IonicContact NH2-OD2 2.83Å; R765-D786 PolarHBondContact NH2-OD2 2.77Å
787	S	89.3	Confident	93.7	Very high	29 Å²	29	47.4 Å²	47.4	20%	0.203	25%	0.252	C	S	.	.			trans	-153	145.3	-173.8	-176.1	0	0	0	0	111.2	F649 D789	F649-S787 WeakPolarHBondContact CE2-O 3.43Å; F649-S787 WeakPolarHBondContact CZ-O 3.24Å; S787-D789 PolarHBondContact OG-N 2.83Å; S787-D789 VanDerWaalsContact OG-N 3.14Å
788	H	86.9	Confident	93.4	Very high	98 Å²	98	50.1 Å²	50.1	45%	0.454	26%	0.263	S	S	.	.			trans	-104	-2.5	172.1	-64.8	-94.4	0	0	0	112.6	M641 F649	M641-H788 HydrophobicContact CE-CB 4.33Å; M641-H788 WeakPolarHBondContact CE-O 3.4Å; F649-H788 AromaticContact CE1-ND1 3.91Å
789	D	90.1	Very high	93.3	Very high	79 Å²	79	52 Å²	52	42%	0.422	27%	0.272	S	S	.	.			trans	-78.4	129.6	178.4	172.7	46.7	0	0	0	111.5	S787 D791 A792 I793	S787-D789 PolarHBondContact OG-N 2.83Å; S787-D789 VanDerWaalsContact OG-N 3.14Å; D789-D791 VanDerWaalsContact C-N 3.32Å; D789-D791 PolarHBondContact O-N 3.32Å; D789-D791 PolarHBondContact OD1-N 3.14Å; D789-D791 PolarHBondContact OD2-N 2.96Å; D789-A792 HydrophobicContact CB-CB 4.15Å; D789-A792 VanDerWaalsContact OD2-CB 3.26Å; D789-A792 WeakPolarHBondContact OD2-CB 3.25Å; D789-A792 PolarHBondContact OD2-N 2.72Å; D789-I793 VanDerWaalsContact O-CD1 3.29Å; D789-I793 WeakPolarHBondContact O-CD1 3.47Å; D789-I793 WeakPolarHBondContact O-CG1 3.33Å; D789-I793 PolarHBondContact O-N 3.28Å
790	T	89.3	Confident	93.1	Very high	58 Å²	58	51.8 Å²	51.8	36%	0.356	27%	0.271	S	S	.	.	H	α-helix	trans	-68.8	-32.5	-176.3	51.9	0	0	0	0	112.8	V637 M641 I793 A794	V637-T790 HydrophobicContact CG1-CG2 4.04Å; M641-T790 HydrophobicContact CG-CG2 3.91Å; T790-I793 PolarHBondContact O-N 2.94Å; T790-A794 WeakPolarHBondContact O-CB 3.25Å; T790-A794 PolarHBondContact O-N 3.22Å
791	D	89	Confident	92.6	Very high	120 Å²	120	51.4 Å²	51.4	64%	0.642	27%	0.27	S	S	*	.	H	α-helix	trans	-80.5	-41.8	-172.2	-67.1	6.7	0	0	0	109.8	D789 I793 A794 E795	D789-D791 VanDerWaalsContact C-N 3.32Å; D789-D791 PolarHBondContact O-N 3.32Å; D789-D791 PolarHBondContact OD1-N 3.14Å; D789-D791 PolarHBondContact OD2-N 2.96Å; D791-I793 VanDerWaalsContact C-N 3.32Å; D791-I793 PolarHBondContact O-N 3.36Å; D791-A794 PolarHBondContact O-N 3.3Å; D791-A794 VanDerWaalsContact O-N 3.16Å; D791-E795 PolarHBondContact O-N 3.26Å
792	A	92.1	Very high	92.1	Very high	32 Å²	32	55 Å²	55	26%	0.264	28%	0.283	S	S	.	.	H	α-helix	trans	-58.7	-38.7	167.7	0	0	0	0	0	113	D789 F796	D789-A792 HydrophobicContact CB-CB 4.15Å; D789-A792 VanDerWaalsContact OD2-CB 3.26Å; D789-A792 WeakPolarHBondContact OD2-CB 3.25Å; D789-A792 PolarHBondContact OD2-N 2.72Å; A792-F796 VanDerWaalsContact O-CB 3.22Å; A792-F796 WeakPolarHBondContact O-CB 3.25Å; A792-F796 PolarHBondContact O-N 2.94Å
793	I	91.9	Very high	91.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-38.1	175	-65	163.2	0	0	0	111	V637 M641 F649 D789 T790 D791 F796 L797 L808	V637-I793 HydrophobicContact CG1-CB 4.04Å; V637-I793 HydrophobicContact CG1-CD1 4.28Å; V637-I793 HydrophobicContact CG1-CG2 3.85Å; V637-I793 HydrophobicContact CG2-CG2 3.94Å; M641-I793 HydrophobicContact SD-CD1 4.24Å; F649-I793 HydrophobicContact CE2-CD1 3.79Å; F649-I793 HydrophobicContact CZ-CD1 3.82Å; D789-I793 VanDerWaalsContact O-CD1 3.29Å; D789-I793 WeakPolarHBondContact O-CD1 3.47Å; D789-I793 WeakPolarHBondContact O-CG1 3.33Å; D789-I793 PolarHBondContact O-N 3.28Å; T790-I793 PolarHBondContact O-N 2.94Å; D791-I793 VanDerWaalsContact C-N 3.32Å; D791-I793 PolarHBondContact O-N 3.36Å; I793-F796 PolarHBondContact O-N 3.17Å; I793-L797 WeakPolarHBondContact O-CB 3.32Å; I793-L797 PolarHBondContact O-N 3.5Å; I793-L808 HydrophobicContact CG2-CD1 4.25Å
794	A	88.6	Confident	91.4	Very high	41 Å²	41	51.1 Å²	51.1	34%	0.339	27%	0.272	S	S	.	.	H	α-helix	trans	-68.3	-41.8	176.8	0	0	0	0	0	112.4	T790 D791 L797 E798	T790-A794 WeakPolarHBondContact O-CB 3.25Å; T790-A794 PolarHBondContact O-N 3.22Å; D791-A794 PolarHBondContact O-N 3.3Å; D791-A794 VanDerWaalsContact O-N 3.16Å; A794-L797 PolarHBondContact O-N 2.84Å; A794-E798 PolarHBondContact O-N 3.49Å
795	E	91.3	Very high	91.1	Very high	132 Å²	132	49.8 Å²	49.8	62%	0.617	26%	0.262	S	S	*	.	H	α-helix	trans	-63.3	-43.6	173	-179.4	169.6	-143.7	0	0	111.3	D791 L797 E798 Q799	D791-E795 PolarHBondContact O-N 3.26Å; E795-L797 VanDerWaalsContact C-N 3.31Å; E795-L797 PolarHBondContact O-N 2.82Å; E795-E798 PolarHBondContact O-N 2.87Å; E795-Q799 WeakPolarHBondContact O-CB 3.4Å; E795-Q799 PolarHBondContact O-N 2.88Å
796	F	95.1	Very high	90.8	Very high	18 Å²	18	49.1 Å²	49.1	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-66.2	-32.1	177.7	-167.7	-112.5	0	0	0	112.7	C651 Y653 R783 I785 A792 I793 S800 L808	C651-F796 HydrophobicContact CB-CD1 4.08Å; C651-F796 HydrophobicContact CB-CE1 4.19Å; C651-F796 VanDerWaalsContact O-CE1 3.29Å; C651-F796 WeakPolarHBondContact O-CE1 3.41Å; Y653-F796 HydrophobicContact CD1-CD1 4.43Å; Y653-F796 AromaticContact CD1-CE1 3.65Å; Y653-F796 HydrophobicContact CD1-CE1 3.65Å; Y653-F796 HydrophobicContact CD1-CE2 4.01Å; Y653-F796 AromaticContact CD1-CZ 3.41Å; Y653-F796 HydrophobicContact CD1-CZ 3.41Å; Y653-F796 VanDerWaalsContact CD1-CZ 3.41Å; Y653-F796 HydrophobicContact CE1-CD1 4.23Å; Y653-F796 AromaticContact CE1-CD2 3.89Å; Y653-F796 HydrophobicContact CE1-CD2 3.89Å; Y653-F796 AromaticContact CE1-CE1 3.74Å; Y653-F796 HydrophobicContact CE1-CE1 3.74Å; Y653-F796 AromaticContact CE1-CE2 3.35Å; Y653-F796 HydrophobicContact CE1-CE2 3.35Å; Y653-F796 HydrophobicContact CE1-CG 4.29Å; Y653-F796 AromaticContact CE1-CZ 3.27Å; Y653-F796 HydrophobicContact CE1-CZ 3.27Å; R783-F796 HydrophobicContact CG-CE2 4.34Å; R783-F796 HydrophobicContact CG-CZ 4.31Å; I785-F796 HydrophobicContact CD1-CB 3.6Å; I785-F796 HydrophobicContact CD1-CD1 3.85Å; I785-F796 HydrophobicContact CD1-CD2 4.2Å; I785-F796 HydrophobicContact CD1-CG 3.63Å; I785-F796 HydrophobicContact CG1-CB 4.4Å; I785-F796 HydrophobicContact CG1-CD1 3.7Å; I785-F796 HydrophobicContact CG1-CD2 4.32Å; I785-F796 HydrophobicContact CG1-CE1 3.96Å; I785-F796 HydrophobicContact CG1-CG 3.9Å; I785-F796 HydrophobicContact CG1-CZ 4.37Å; I785-F796 HydrophobicContact CG2-CD2 3.82Å; I785-F796 HydrophobicContact CG2-CE1 4.48Å; I785-F796 HydrophobicContact CG2-CE2 3.7Å; I785-F796 HydrophobicContact CG2-CG 4.28Å; I785-F796 HydrophobicContact CG2-CZ 4.04Å; A792-F796 VanDerWaalsContact O-CB 3.22Å; A792-F796 WeakPolarHBondContact O-CB 3.25Å; A792-F796 PolarHBondContact O-N 2.94Å; I793-F796 PolarHBondContact O-N 3.17Å; F796-S800 WeakPolarHBondContact O-CB 3.39Å; F796-S800 PolarHBondContact O-N 3.04Å; F796-L808 HydrophobicContact CD1-CD1 3.9Å; F796-L808 HydrophobicContact CD1-CD2 3.41Å; F796-L808 VanDerWaalsContact CD1-CD2 3.41Å; F796-L808 HydrophobicContact CD1-CG 4.31Å; F796-L808 HydrophobicContact CE1-CD2 3.58Å; F796-L808 HydrophobicContact CG-CD2 4.41Å
797	L	91.4	Very high	90.6	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-50.4	170.7	176.1	64.6	0	0	0	111.1	I793 A794 E795 Q799 S800 V801 L808 L831 L836	I793-L797 WeakPolarHBondContact O-CB 3.32Å; I793-L797 PolarHBondContact O-N 3.5Å; A794-L797 PolarHBondContact O-N 2.84Å; E795-L797 VanDerWaalsContact C-N 3.31Å; E795-L797 PolarHBondContact O-N 2.82Å; L797-Q799 VanDerWaalsContact C-N 3.35Å; L797-Q799 PolarHBondContact O-N 3.36Å; L797-S800 PolarHBondContact O-N 2.84Å; L797-S800 PolarHBondContact O-OG 3.01Å; L797-V801 PolarHBondContact O-N 2.85Å; L797-L808 HydrophobicContact CB-CD1 3.83Å; L797-L808 HydrophobicContact CB-CG 4.16Å; L797-L808 HydrophobicContact CD1-CB 4.41Å; L797-L808 HydrophobicContact CD1-CD1 4.33Å; L797-L808 HydrophobicContact CD1-CG 3.87Å; L797-L831 HydrophobicContact CD1-CG 4.33Å; L797-L831 HydrophobicContact CD2-CD2 3.96Å; L797-L831 HydrophobicContact CD2-CG 4.02Å; L797-L836 HydrophobicContact CD2-CD1 4.34Å
798	E	88.3	Confident	90.9	Very high	60 Å²	60	43.8 Å²	43.8	28%	0.28	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-40	177.2	-76.4	-64.2	128.4	0	0	112	A794 E795 S800 V801 R802 K833	A794-E798 PolarHBondContact O-N 3.49Å; E795-E798 PolarHBondContact O-N 2.87Å; E798-S800 VanDerWaalsContact C-N 3.35Å; E798-S800 PolarHBondContact O-N 3.27Å; E798-V801 PolarHBondContact O-N 3.19Å; E798-R802 WeakPolarHBondContact O-CG 3.04Å; E798-R802 PolarHBondContact O-N 3.23Å; E798-K833 WeakPolarHBondContact OE1-CE 3.5Å; E798-K833 IonicContact OE1-NZ 3.45Å; E798-K833 PolarHBondContact OE1-NZ 3.48Å; E798-K833 IonicContact OE2-NZ 2.68Å; E798-K833 PolarHBondContact OE2-NZ 3.01Å
799	Q	92.7	Very high	91.4	Very high	58 Å²	58	40.4 Å²	40.4	27%	0.271	21%	0.212	S	C	.	.	H	α-helix	trans	-64.9	-36.7	175	-167.4	62.9	42.4	0	0	112.1	Y653 E795 L797 V801 R802 D803	Y653-Q799 WeakPolarHBondContact OH-CG 3.28Å; E795-Q799 WeakPolarHBondContact O-CB 3.4Å; E795-Q799 PolarHBondContact O-N 2.88Å; L797-Q799 VanDerWaalsContact C-N 3.35Å; L797-Q799 PolarHBondContact O-N 3.36Å; Q799-V801 PolarHBondContact O-N 3.34Å; Q799-R802 PolarHBondContact O-N 2.89Å; Q799-D803 PolarHBondContact NE2-OD1 3.16Å; Q799-D803 WeakPolarHBondContact O-CB 3.02Å; Q799-D803 PolarHBondContact O-N 3.47Å
800	S	94.2	Very high	91.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-35.3	174.7	75.8	0	0	0	0	112.5	Y653 F796 L797 E798 D803 C805 G807	Y653-S800 VanDerWaalsContact CE1-CB 3.46Å; F796-S800 WeakPolarHBondContact O-CB 3.39Å; F796-S800 PolarHBondContact O-N 3.04Å; L797-S800 PolarHBondContact O-N 2.84Å; L797-S800 PolarHBondContact O-OG 3.01Å; E798-S800 VanDerWaalsContact C-N 3.35Å; E798-S800 PolarHBondContact O-N 3.27Å; S800-D803 CarbonylContact O-C 3.6Å; S800-D803 PolarHBondContact O-N 2.88Å; S800-C805 WeakPolarHBondContact O-CA 3.29Å; S800-C805 WeakPolarHBondContact O-CB 3.29Å; S800-C805 PolarHBondContact O-N 2.85Å; S800-G807 WeakPolarHBondContact OG-CA 3.41Å; S800-G807 PolarHBondContact OG-O 3.16Å
801	V	88.6	Confident	92.1	Very high	26 Å²	26	34 Å²	34	16%	0.158	18%	0.175	C	C	.	.	H	α-helix	trans	-76.7	-33.7	178	177.9	0	0	0	0	111.9	L797 E798 Q799 D803 S804 K833 Q987	L797-V801 PolarHBondContact O-N 2.85Å; E798-V801 PolarHBondContact O-N 3.19Å; Q799-V801 PolarHBondContact O-N 3.34Å; V801-D803 VanDerWaalsContact C-N 3.33Å; V801-S804 PolarHBondContact O-N 2.94Å; V801-K833 HydrophobicContact CG1-CD 4.22Å; V801-K833 HydrophobicContact CG2-CB 4.34Å; V801-K833 HydrophobicContact CG2-CD 4.2Å; V801-Q987 HydrophobicContact CG1-CG 4.31Å; V801-Q987 WeakPolarHBondContact O-CB 3.46Å
802	R	88.6	Confident	92.4	Very high	101 Å²	101	28.6 Å²	28.6	38%	0.381	15%	0.147	S	C	.	.	H	α-helix	trans	-62.8	-41.6	168.8	-64.1	170.1	-159.1	151.8	2.3	110.8	E798 Q799 S804 N991	E798-R802 WeakPolarHBondContact O-CG 3.04Å; E798-R802 PolarHBondContact O-N 3.23Å; Q799-R802 PolarHBondContact O-N 2.89Å; R802-S804 PolarHBondContact O-N 2.92Å; R802-N991 PolarHBondContact O-ND2 3.44Å
803	D	90.8	Very high	92.5	Very high	47 Å²	47	27.7 Å²	27.7	25%	0.251	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	31.1	177	-65.9	13.9	0	0	0	112.6	Y653 R783 Q799 S800 V801 C805	Y653-D803 HydrophobicContact CD2-CB 4.44Å; Y653-D803 HydrophobicContact CE2-CB 3.58Å; Y653-D803 VanDerWaalsContact CE2-OD2 3.27Å; Y653-D803 WeakPolarHBondContact CE2-OD2 3.16Å; Y653-D803 PolarHBondContact OH-OD2 2.98Å; R783-D803 IonicContact CZ-OD2 2.71Å; R783-D803 IonicContact NH1-OD2 3.65Å; R783-D803 PolarHBondContact NH1-OD2 3.5Å; Q799-D803 PolarHBondContact NE2-OD1 3.16Å; Q799-D803 WeakPolarHBondContact O-CB 3.02Å; Q799-D803 PolarHBondContact O-N 3.47Å; S800-D803 CarbonylContact O-C 3.6Å; S800-D803 PolarHBondContact O-N 2.88Å; V801-D803 VanDerWaalsContact C-N 3.33Å; D803-C805 PolarHBondContact O-N 2.8Å; D803-C805 VanDerWaalsContact O-N 3.07Å; D803-C805 PolarHBondContact O-SG 2.76Å; D803-C805 VanDerWaalsContact O-SG 3.37Å
804	S	89.9	Confident	92.6	Very high	7 Å²	7	34 Å²	34	5%	0.049	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	12.5	175.1	-64.1	0	0	0	0	117.3	V801 R802 Q988 N991	V801-S804 PolarHBondContact O-N 2.94Å; R802-S804 PolarHBondContact O-N 2.92Å; S804-Q988 PolarHBondContact O-NE2 3.13Å; S804-N991 PolarHBondContact OG-ND2 2.82Å; S804-N991 VanDerWaalsContact OG-ND2 3.09Å
805	C	92	Very high	92.7	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.041	18%	0.177	C	C	.	.			trans	-92.3	163.4	-179.9	-61.5	0	0	0	0	113.3	K654 Y655 S800 D803 G807	K654-C805 WeakPolarHBondContact O-CB 3.23Å; Y655-C805 VanDerWaalsContact CD1-SG 3.59Å; S800-C805 WeakPolarHBondContact O-CA 3.29Å; S800-C805 WeakPolarHBondContact O-CB 3.29Å; S800-C805 PolarHBondContact O-N 2.85Å; D803-C805 PolarHBondContact O-N 2.8Å; D803-C805 VanDerWaalsContact O-N 3.07Å; D803-C805 PolarHBondContact O-SG 2.76Å; D803-C805 VanDerWaalsContact O-SG 3.37Å; C805-G807 PolarHBondContact O-N 3.11Å
806	E	89.6	Confident	92.6	Very high	31 Å²	31	36.8 Å²	36.8	15%	0.145	18%	0.175	C	C	.	.			trans	-73.8	-7.8	-177.9	-58	-164.9	120.1	0	0	114.6	K654 D656 K832	K654-E806 HydrophobicContact CD-CB 4.3Å; K654-E806 VanDerWaalsContact CD-OE2 3.29Å; K654-E806 WeakPolarHBondContact CD-OE2 2.96Å; K654-E806 WeakPolarHBondContact CE-OE2 3.5Å; K654-E806 IonicContact NZ-OE2 3.96Å; K654-E806 PolarHBondContact NZ-OE2 3.14Å; K654-E806 PolarHBondContact O-N 3.07Å; D656-E806 HydrophobicContact CB-CG 3.79Å; E806-K832 HydrophobicContact CB-CD 4.44Å; E806-K832 WeakPolarHBondContact O-CG 3.46Å; E806-K832 IonicContact OE1-NZ 3.08Å; E806-K832 PolarHBondContact OE1-NZ 3.27Å; E806-K832 WeakPolarHBondContact OE2-CE 3.38Å; E806-K832 IonicContact OE2-NZ 3.19Å; E806-K832 PolarHBondContact OE2-NZ 2.82Å
807	G	93	Very high	92.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.5	-145.1	-167.3	0	0	0	0	0	111.8	K654 S800 C805	K654-G807 WeakPolarHBondContact CA-O 3.38Å; K654-G807 VanDerWaalsContact CB-O 3.29Å; K654-G807 WeakPolarHBondContact CB-O 3.37Å; K654-G807 PolarHBondContact N-O 3.01Å; S800-G807 WeakPolarHBondContact OG-CA 3.41Å; S800-G807 PolarHBondContact OG-O 3.16Å; C805-G807 PolarHBondContact O-N 3.11Å
808	L	96.4	Very high	92.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148	-176.4	-59.9	-179.9	0	0	0	114.1	C651 E652 Y653 I793 F796 L797 K830 L831	C651-L808 HydrophobicContact CB-CD1 4.27Å; E652-L808 CarbonylContact O-C 3.22Å; E652-L808 WeakPolarHBondContact O-CA 3.48Å; Y653-L808 HydrophobicContact CD1-CD2 4.01Å; Y653-L808 HydrophobicContact CE1-CD2 4.47Å; I793-L808 HydrophobicContact CG2-CD1 4.25Å; F796-L808 HydrophobicContact CD1-CD1 3.9Å; F796-L808 HydrophobicContact CD1-CD2 3.41Å; F796-L808 VanDerWaalsContact CD1-CD2 3.41Å; F796-L808 HydrophobicContact CD1-CG 4.31Å; F796-L808 HydrophobicContact CE1-CD2 3.58Å; F796-L808 HydrophobicContact CG-CD2 4.41Å; L797-L808 HydrophobicContact CB-CD1 3.83Å; L797-L808 HydrophobicContact CB-CG 4.16Å; L797-L808 HydrophobicContact CD1-CB 4.41Å; L797-L808 HydrophobicContact CD1-CD1 4.33Å; L797-L808 HydrophobicContact CD1-CG 3.87Å; L808-K830 WeakPolarHBondContact O-CA 3.22Å; L808-L831 PolarHBondContact N-O 2.75Å; L808-L831 PolarHBondContact O-N 2.67Å
809	M	97.3	Very high	92.9	Very high	27 Å²	27	35.8 Å²	35.8	13%	0.133	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.2	157.8	-63.9	-67.7	-62.6	0	0	107.8	A631 C651 E652 K654 W828 L829 K830	A631-M809 HydrophobicContact CB-CE 3.6Å; A631-M809 HydrophobicContact CB-SD 4.46Å; C651-M809 CarbonylContact C-O 3.56Å; C651-M809 WeakPolarHBondContact CA-O 3.21Å; E652-M809 HydrophobicContact CB-CB 4.42Å; E652-M809 PolarHBondContact N-O 2.84Å; E652-M809 PolarHBondContact O-N 2.74Å; K654-M809 HydrophobicContact CB-CG 3.9Å; K654-M809 HydrophobicContact CB-SD 4.42Å; K654-M809 HydrophobicContact CD-CG 4.41Å; K654-M809 HydrophobicContact CD-SD 3.8Å; K654-M809 HydrophobicContact CG-CG 3.75Å; K654-M809 HydrophobicContact CG-SD 3.78Å; M809-W828 HydrophobicContact CE-CE3 4.06Å; M809-L829 WeakPolarHBondContact CA-O 3.44Å; M809-K830 HydrophobicContact SD-CB 3.96Å
810	V	96.3	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130	173.5	-160.7	0	0	0	0	109.3	V640 F644 F649 T650 W828 L829	V640-V810 HydrophobicContact CG1-CB 4.26Å; V640-V810 HydrophobicContact CG1-CG1 3.86Å; V640-V810 HydrophobicContact CG1-CG2 4.25Å; V640-V810 HydrophobicContact CG2-CG2 4.29Å; F644-V810 HydrophobicContact CD2-CG1 4.28Å; F644-V810 HydrophobicContact CE2-CB 4.08Å; F644-V810 HydrophobicContact CE2-CG1 3.69Å; F649-V810 HydrophobicContact CB-CG1 4.27Å; F649-V810 HydrophobicContact CD2-CG1 3.35Å; F649-V810 HydrophobicContact CE2-CG1 3.87Å; F649-V810 HydrophobicContact CG-CG1 3.97Å; T650-V810 CarbonylContact O-C 3.6Å; T650-V810 WeakPolarHBondContact O-CA 3.33Å; T650-V810 WeakPolarHBondContact O-CG1 3.48Å; V810-W828 CarbonylContact O-C 3.5Å; V810-W828 WeakPolarHBondContact O-CA 3.38Å; V810-L829 HydrophobicContact CB-CB 4.36Å; V810-L829 PolarHBondContact N-O 2.88Å; V810-L829 PolarHBondContact O-N 2.73Å
811	K	96	Very high	92	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.4	-172.4	-49.7	174.4	-177.6	165.2	0	111	F649 T650 E652 F746 L761 N827 W828	F649-K811 CarbonylContact C-O 3.59Å; F649-K811 WeakPolarHBondContact CA-O 3.43Å; F649-K811 VanDerWaalsContact CB-O 3.25Å; F649-K811 WeakPolarHBondContact CB-O 3.28Å; T650-K811 HydrophobicContact CG2-CB 4.06Å; T650-K811 HydrophobicContact CG2-CD 4.49Å; T650-K811 PolarHBondContact N-O 3.12Å; T650-K811 PolarHBondContact O-N 3.41Å; E652-K811 WeakPolarHBondContact OE1-CE 3.41Å; E652-K811 IonicContact OE1-NZ 2.75Å; E652-K811 PolarHBondContact OE1-NZ 3.08Å; E652-K811 VanDerWaalsContact OE2-CE 3.31Å; E652-K811 WeakPolarHBondContact OE2-CE 3.39Å; E652-K811 IonicContact OE2-NZ 3.88Å; E652-K811 PolarHBondContact OE2-NZ 2.96Å; F746-K811 PolarHBondContact O-NZ 2.96Å; L761-K811 HydrophobicContact CD2-CB 3.46Å; L761-K811 VanDerWaalsContact CD2-CB 3.46Å; L761-K811 HydrophobicContact CD2-CD 3.53Å; L761-K811 HydrophobicContact CD2-CG 4.18Å; K811-N827 WeakPolarHBondContact CA-O 3.45Å; K811-W828 HydrophobicContact CB-CG 4.46Å; K811-W828 HydrophobicContact CD-CD2 4.37Å; K811-W828 HydrophobicContact CD-CZ2 4.07Å; K811-W828 HydrophobicContact CG-CD2 4.2Å; K811-W828 HydrophobicContact CG-CG 3.98Å
812	T	95.7	Very high	91.4	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.043	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	144.4	168.7	60.8	0	0	0	0	111.1	F644 A647 L761 K815 A817 N827	F644-T812 HydrophobicContact CD1-CG2 3.47Å; F644-T812 VanDerWaalsContact CD1-CG2 3.47Å; F644-T812 HydrophobicContact CE1-CG2 3.47Å; F644-T812 VanDerWaalsContact CE1-CG2 3.47Å; F644-T812 HydrophobicContact CG-CG2 4.09Å; F644-T812 HydrophobicContact CZ-CG2 4.06Å; A647-T812 HydrophobicContact CB-CG2 4.43Å; L761-T812 WeakPolarHBondContact CB-O 3.35Å; L761-T812 WeakPolarHBondContact CD2-O 3.26Å; T812-K815 VanDerWaalsContact CB-O 3.28Å; T812-K815 WeakPolarHBondContact CB-O 3.08Å; T812-K815 PolarHBondContact OG1-O 3.02Å; T812-A817 VanDerWaalsContact O-CB 3.25Å; T812-A817 WeakPolarHBondContact O-CB 3.33Å; T812-A817 WeakPolarHBondContact OG1-CA 3.5Å; T812-N827 PolarHBondContact N-O 2.93Å; T812-N827 VanDerWaalsContact N-O 3.07Å
813	L	95.6	Very high	90.9	Very high	14 Å²	14	35.8 Å²	35.8	7%	0.073	18%	0.181	C	C	.	.	S	Bend	trans	-94.6	-41.8	-175.3	-77.8	169.3	0	0	0	113.2	A648 T650 L761 C762 A817	A648-L813 HydrophobicContact CB-CB 4.39Å; A648-L813 PolarHBondContact O-N 2.91Å; T650-L813 HydrophobicContact CG2-CD2 3.85Å; T650-L813 HydrophobicContact CG2-CG 4.29Å; L761-L813 HydrophobicContact CD2-CD2 4.23Å; L761-L813 HydrophobicContact CG-CD2 4.34Å; L761-L813 PolarHBondContact N-O 2.88Å; C762-L813 PolarHBondContact N-O 3.35Å; C762-L813 PolarHBondContact SG-O 3.33Å; L813-A817 WeakPolarHBondContact O-CB 3.03Å
814	E	93.1	Very high	90.3	Very high	131 Å²	131	41 Å²	41	61%	0.612	20%	0.197	S	C	*	.	S	Bend	trans	-122.7	-68.8	-173.3	-63.5	179.8	178.5	0	0	111.8	C762 D816 A817	C762-E814 HydrophobicContact CB-CG 4.38Å; E814-D816 PolarHBondContact O-N 3.13Å; E814-A817 VanDerWaalsContact O-CB 3.29Å; E814-A817 WeakPolarHBondContact O-CB 3.5Å; E814-A817 PolarHBondContact O-N 3.02Å
815	K	90.8	Very high	89.6	Confident	124 Å²	124	40.9 Å²	40.9	54%	0.539	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	125.1	179.2	-173.6	177.2	174.9	-172.8	0	110.3	A647 T812 A817	A647-K815 HydrophobicContact CB-CB 4.28Å; A647-K815 HydrophobicContact CB-CD 4.25Å; T812-K815 VanDerWaalsContact CB-O 3.28Å; T812-K815 WeakPolarHBondContact CB-O 3.08Å; T812-K815 PolarHBondContact OG1-O 3.02Å; K815-A817 PolarHBondContact O-N 3.44Å
816	D	89.7	Confident	89.1	Confident	109 Å²	109	43.8 Å²	43.8	58%	0.583	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	19.6	-177.3	-55.3	-52.4	0	0	0	114.6	E814 T818 N827	E814-D816 PolarHBondContact O-N 3.13Å; D816-T818 VanDerWaalsContact C-N 3.27Å; D816-T818 PolarHBondContact O-N 3.28Å; D816-T818 VanDerWaalsContact O-N 3.15Å; D816-N827 PolarHBondContact O-ND2 2.91Å
817	A	94.1	Very high	88.9	Confident	3 Å²	3	43.7 Å²	43.7	3%	0.025	21%	0.21	C	C	.	.			trans	-84.5	17.7	-168.1	0	0	0	0	0	115.4	P760 L761 R764 T812 L813 E814 K815	P760-A817 HydrophobicContact CB-CB 4.25Å; L761-A817 HydrophobicContact CB-CB 4.12Å; L761-A817 PolarHBondContact N-O 3.42Å; R764-A817 PolarHBondContact NH1-O 3.08Å; T812-A817 VanDerWaalsContact O-CB 3.25Å; T812-A817 WeakPolarHBondContact O-CB 3.33Å; T812-A817 WeakPolarHBondContact OG1-CA 3.5Å; L813-A817 WeakPolarHBondContact O-CB 3.03Å; E814-A817 VanDerWaalsContact O-CB 3.29Å; E814-A817 WeakPolarHBondContact O-CB 3.5Å; E814-A817 PolarHBondContact O-N 3.02Å; K815-A817 PolarHBondContact O-N 3.44Å
818	T	93.9	Very high	89	Confident	55 Å²	55	43.9 Å²	43.9	34%	0.337	21%	0.211	S	C	.	.	S	Bend	trans	-67.5	162.3	176.4	71.1	0	0	0	0	111.5	D816 E820	D816-T818 VanDerWaalsContact C-N 3.27Å; D816-T818 PolarHBondContact O-N 3.28Å; D816-T818 VanDerWaalsContact O-N 3.15Å; T818-E820 PolarHBondContact O-N 2.82Å; T818-E820 VanDerWaalsContact O-N 3.15Å
819	Y	93.4	Very high	88.9	Confident	5 Å²	5	44 Å²	44	2%	0.02	21%	0.211	C	C	.	.			trans	-82.5	94.4	177.3	-168.9	-87.2	0	0	0	109.8	L626 P628 M629 R659 D705 D747 L749 V757 I821 W828	L626-Y819 HydrophobicContact CD1-CD1 4.36Å; L626-Y819 HydrophobicContact CD1-CE1 3.93Å; P628-Y819 WeakPolarHBondContact CA-OH 3.46Å; M629-Y819 HydrophobicContact CB-CD1 4.1Å; M629-Y819 HydrophobicContact CB-CD2 4.05Å; M629-Y819 HydrophobicContact CB-CE1 3.71Å; M629-Y819 HydrophobicContact CB-CE2 3.69Å; M629-Y819 HydrophobicContact CB-CG 4.27Å; M629-Y819 PolarHBondContact N-OH 2.74Å; M629-Y819 HydrophobicContact SD-CD2 4.04Å; M629-Y819 HydrophobicContact SD-CG 4.22Å; R659-Y819 PolarHBondContact NH2-OH 2.91Å; D705-Y819 WeakPolarHBondContact OD2-CE2 3.5Å; D705-Y819 PolarHBondContact OD2-OH 3.14Å; D747-Y819 WeakPolarHBondContact OD2-CD2 3.24Å; L749-Y819 HydrophobicContact CD1-CE1 4.18Å; L749-Y819 HydrophobicContact CD1-CE2 4.05Å; L749-Y819 HydrophobicContact CD2-CD1 4.23Å; L749-Y819 HydrophobicContact CD2-CD2 3.3Å; L749-Y819 HydrophobicContact CD2-CE1 4.31Å; L749-Y819 HydrophobicContact CD2-CE2 3.37Å; L749-Y819 HydrophobicContact CD2-CG 3.74Å; L749-Y819 HydrophobicContact CG-CE2 4.37Å; V757-Y819 PolarHBondContact O-N 3.1Å; Y819-I821 VanDerWaalsContact C-N 3.33Å; Y819-I821 HydrophobicContact CD1-CG1 3.9Å; Y819-I821 HydrophobicContact CE1-CG1 4.37Å; Y819-I821 WeakPolarHBondContact O-CG1 3.36Å; Y819-I821 PolarHBondContact O-N 2.91Å; Y819-W828 HydrophobicContact CD2-CH2 4.33Å; Y819-W828 HydrophobicContact CD2-CZ2 4.19Å; Y819-W828 AromaticContact CE2-CH2 3.83Å; Y819-W828 HydrophobicContact CE2-CH2 3.83Å; Y819-W828 HydrophobicContact CE2-CZ2 4.15Å
820	E	85.3	Confident	88.7	Confident	37 Å²	37	45 Å²	45	17%	0.173	22%	0.215	C	C	.	.			trans	-74.5	82.2	-177.6	-60.5	-145.2	112.2	0	0	112.4	M629 T818 A822 K823 S825	M629-E820 HydrophobicContact CE-CB 3.98Å; M629-E820 HydrophobicContact CE-CG 4.17Å; M629-E820 HydrophobicContact CG-CB 4.47Å; M629-E820 HydrophobicContact SD-CB 4.38Å; M629-E820 PolarHBondContact SD-N 3.37Å; T818-E820 PolarHBondContact O-N 2.82Å; T818-E820 VanDerWaalsContact O-N 3.15Å; E820-A822 PolarHBondContact O-N 3.09Å; E820-K823 HydrophobicContact CB-CB 4.02Å; E820-K823 HydrophobicContact CB-CD 4.11Å; E820-K823 HydrophobicContact CB-CG 4.23Å; E820-K823 PolarHBondContact O-N 2.94Å; E820-K823 WeakPolarHBondContact OE1-CE 3.48Å; E820-K823 IonicContact OE1-NZ 3.57Å; E820-K823 PolarHBondContact OE1-NZ 3.21Å; E820-K823 WeakPolarHBondContact OE2-CD 3.4Å; E820-K823 IonicContact OE2-NZ 3.42Å; E820-S825 WeakPolarHBondContact OE2-CB 3.41Å
821	I	82.1	Confident	88.5	Confident	6 Å²	6	45 Å²	45	3%	0.031	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	130.4	-176.7	-44.2	178	0	0	0	111.6	C594 E595 L626 R627 V757 Y819 K823	C594-I821 HydrophobicContact CB-CB 3.89Å; C594-I821 HydrophobicContact CB-CG2 3.53Å; C594-I821 WeakPolarHBondContact O-CG2 3.14Å; E595-I821 HydrophobicContact CB-CD1 4.37Å; E595-I821 HydrophobicContact CG-CD1 3.28Å; L626-I821 HydrophobicContact CD1-CD1 4.15Å; L626-I821 HydrophobicContact CD1-CG1 4.23Å; L626-I821 HydrophobicContact CD1-CG2 4.08Å; R627-I821 HydrophobicContact CB-CG2 4.1Å; R627-I821 WeakPolarHBondContact O-CG2 3.49Å; V757-I821 HydrophobicContact CB-CD1 4.29Å; V757-I821 HydrophobicContact CG1-CD1 4.3Å; V757-I821 HydrophobicContact CG2-CD1 4.22Å; Y819-I821 VanDerWaalsContact C-N 3.33Å; Y819-I821 HydrophobicContact CD1-CG1 3.9Å; Y819-I821 HydrophobicContact CE1-CG1 4.37Å; Y819-I821 WeakPolarHBondContact O-CG1 3.36Å; Y819-I821 PolarHBondContact O-N 2.91Å; I821-K823 PolarHBondContact O-N 3.47Å
822	A	76	Confident	88.1	Confident	33 Å²	33	45.7 Å²	45.7	27%	0.273	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-14.2	-177.3	0	0	0	0	0	117.5	C594 R627 P628 E820	C594-A822 HydrophobicContact CB-CB 4.48Å; R627-A822 HydrophobicContact CB-CB 3.62Å; R627-A822 HydrophobicContact CG-CB 4.11Å; P628-A822 PolarHBondContact O-N 3.44Å; E820-A822 PolarHBondContact O-N 3.09Å
823	K	77.9	Confident	87.2	Confident	109 Å²	109	48.2 Å²	48.2	47%	0.474	23%	0.228	S	C	.	.			trans	-72.2	144.7	178.2	-60.8	-163.6	-161.5	168.7	0	110.5	L630 E820 I821 S825	L630-K823 WeakPolarHBondContact CB-O 3.38Å; L630-K823 PolarHBondContact N-O 3.41Å; E820-K823 HydrophobicContact CB-CB 4.02Å; E820-K823 HydrophobicContact CB-CD 4.11Å; E820-K823 HydrophobicContact CB-CG 4.23Å; E820-K823 PolarHBondContact O-N 2.94Å; E820-K823 WeakPolarHBondContact OE1-CE 3.48Å; E820-K823 IonicContact OE1-NZ 3.57Å; E820-K823 PolarHBondContact OE1-NZ 3.21Å; E820-K823 WeakPolarHBondContact OE2-CD 3.4Å; E820-K823 IonicContact OE2-NZ 3.42Å; I821-K823 PolarHBondContact O-N 3.47Å; K823-S825 PolarHBondContact O-N 3.42Å
824	R	77.9	Confident	86.2	Confident	156 Å²	156	48.4 Å²	48.4	59%	0.589	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	77.2	152.3	-172.4	-175.2	-61.7	160.7	7	107.5	L630 H632	L630-R824 HydrophobicContact CB-CB 4.26Å; L630-R824 WeakPolarHBondContact O-CA 3.27Å; H632-R824 HydrophobicContact CB-CG 4.36Å
825	S	75.7	Confident	85.1	Confident	4 Å²	4	43.7 Å²	43.7	3%	0.028	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	159.2	174.9	74.1	0	0	0	0	110.4	M629 L630 E820 K823 N827 W828	M629-S825 WeakPolarHBondContact CE-OG 3.25Å; L630-S825 PolarHBondContact O-N 2.89Å; E820-S825 WeakPolarHBondContact OE2-CB 3.41Å; K823-S825 PolarHBondContact O-N 3.42Å; S825-N827 PolarHBondContact OG-N 3.11Å; S825-W828 PolarHBondContact OG-N 2.98Å; S825-W828 VanDerWaalsContact OG-N 3.1Å
826	H	80.6	Confident	84.1	Confident	67 Å²	67	39.5 Å²	39.5	31%	0.31	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-6.5	161.6	-69.2	92.3	0	0	0	111.8	H632 R643 F644 W828 L829	H632-H826 AromaticContact CD2-NE2 3.85Å; R643-H826 HydrophobicContact CG-CB 4.43Å; R643-H826 PolarHBondContact NH1-CD2 3.04Å; R643-H826 VanDerWaalsContact NH1-CD2 3.3Å; R643-H826 PolarHBondContact NH1-NE2 2.97Å; F644-H826 WeakPolarHBondContact CE1-O 3.31Å; H826-W828 VanDerWaalsContact C-N 3.35Å; H826-L829 VanDerWaalsContact O-CD2 3.25Å; H826-L829 WeakPolarHBondContact O-CD2 3.32Å
827	N	86.5	Confident	82.9	Confident	29 Å²	29	40.2 Å²	40.2	16%	0.155	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-24.8	-172.4	-45	12	0	0	0	110.6	M629 K811 T812 D816 S825	M629-N827 HydrophobicContact CE-CB 4.26Å; K811-N827 WeakPolarHBondContact CA-O 3.45Å; T812-N827 PolarHBondContact N-O 2.93Å; T812-N827 VanDerWaalsContact N-O 3.07Å; D816-N827 PolarHBondContact O-ND2 2.91Å; S825-N827 PolarHBondContact OG-N 3.11Å
828	W	94	Very high	81.2	Confident	5 Å²	5	44.3 Å²	44.3	2%	0.019	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.5	161.2	-73.9	14.6	0	0	0	109.8	M629 A631 H632 F746 D747 M809 V810 K811 Y819 S825 H826	M629-W828 HydrophobicContact CB-CE3 4.26Å; M629-W828 HydrophobicContact CB-CH2 4.3Å; M629-W828 HydrophobicContact CB-CZ3 4.11Å; M629-W828 HydrophobicContact CE-CB 4.31Å; M629-W828 VanDerWaalsContact CE-CD1 3.4Å; M629-W828 HydrophobicContact CE-CD2 4Å; M629-W828 HydrophobicContact CE-CG 3.66Å; M629-W828 HydrophobicContact CG-CD2 3.95Å; M629-W828 HydrophobicContact CG-CE3 3.99Å; M629-W828 HydrophobicContact CG-CG 4.41Å; M629-W828 HydrophobicContact CG-CZ3 4.33Å; M629-W828 HydrophobicContact SD-CD2 3.72Å; M629-W828 HydrophobicContact SD-CE3 4.3Å; M629-W828 HydrophobicContact SD-CG 4.06Å; M629-W828 HydrophobicContact SD-CH2 4.41Å; M629-W828 HydrophobicContact SD-CZ2 3.83Å; A631-W828 CarbonylContact C-O 3.54Å; A631-W828 WeakPolarHBondContact CA-O 2.99Å; A631-W828 HydrophobicContact CB-CB 3.89Å; A631-W828 WeakPolarHBondContact CB-O 3.41Å; H632-W828 PolarHBondContact N-O 3.32Å; F746-W828 HydrophobicContact CD2-CH2 4.27Å; F746-W828 HydrophobicContact CE2-CH2 4.03Å; F746-W828 HydrophobicContact CE2-CZ3 4.31Å; D747-W828 WeakPolarHBondContact OD2-CZ2 3.32Å; M809-W828 HydrophobicContact CE-CE3 4.06Å; V810-W828 CarbonylContact O-C 3.5Å; V810-W828 WeakPolarHBondContact O-CA 3.38Å; K811-W828 HydrophobicContact CB-CG 4.46Å; K811-W828 HydrophobicContact CD-CD2 4.37Å; K811-W828 HydrophobicContact CD-CZ2 4.07Å; K811-W828 HydrophobicContact CG-CD2 4.2Å; K811-W828 HydrophobicContact CG-CG 3.98Å; Y819-W828 HydrophobicContact CD2-CH2 4.33Å; Y819-W828 HydrophobicContact CD2-CZ2 4.19Å; Y819-W828 AromaticContact CE2-CH2 3.83Å; Y819-W828 HydrophobicContact CE2-CH2 3.83Å; Y819-W828 HydrophobicContact CE2-CZ2 4.15Å; S825-W828 PolarHBondContact OG-N 2.98Å; S825-W828 VanDerWaalsContact OG-N 3.1Å; H826-W828 VanDerWaalsContact C-N 3.35Å
829	L	94.4	Very high	79.7	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	157.6	172.7	-57.1	-179.1	0	0	0	110	H632 T634 V640 R643 F644 M809 V810 H826	H632-L829 HydrophobicContact CB-CD2 3.82Å; H632-L829 CarbonylContact O-C 3.55Å; H632-L829 WeakPolarHBondContact O-CA 3.14Å; T634-L829 HydrophobicContact CG2-CD1 4.42Å; V640-L829 HydrophobicContact CB-CD1 4.33Å; V640-L829 HydrophobicContact CG1-CD1 4.26Å; V640-L829 HydrophobicContact CG2-CD1 4.12Å; R643-L829 HydrophobicContact CB-CD1 4.24Å; R643-L829 HydrophobicContact CG-CD1 4.29Å; F644-L829 HydrophobicContact CD2-CD1 4.39Å; F644-L829 HydrophobicContact CE1-CD1 4.3Å; F644-L829 HydrophobicContact CE1-CG 4.35Å; F644-L829 HydrophobicContact CE2-CD1 3.72Å; F644-L829 HydrophobicContact CE2-CG 4.07Å; F644-L829 HydrophobicContact CZ-CD1 3.69Å; F644-L829 HydrophobicContact CZ-CG 3.64Å; M809-L829 WeakPolarHBondContact CA-O 3.44Å; V810-L829 HydrophobicContact CB-CB 4.36Å; V810-L829 PolarHBondContact N-O 2.88Å; V810-L829 PolarHBondContact O-N 2.73Å; H826-L829 VanDerWaalsContact O-CD2 3.25Å; H826-L829 WeakPolarHBondContact O-CD2 3.32Å
830	K	94	Very high	78.3	Confident	49 Å²	49	45.5 Å²	45.5	21%	0.213	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	113.3	171.2	45.9	153.8	-173.9	155.6	0	110	A631 H632 T634 L808 M809 Y835	A631-K830 HydrophobicContact CB-CB 4.18Å; A631-K830 HydrophobicContact CB-CG 3.92Å; H632-K830 WeakPolarHBondContact O-CG 3.17Å; H632-K830 PolarHBondContact O-N 3.32Å; T634-K830 PolarHBondContact N-O 3.39Å; L808-K830 WeakPolarHBondContact O-CA 3.22Å; M809-K830 HydrophobicContact SD-CB 3.96Å; K830-Y835 HydrophobicContact CD-CE2 4.16Å; K830-Y835 PolarHBondContact NZ-OH 2.9Å
831	L	91.7	Very high	77.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	110.4	-179.4	-180	61.8	0	0	0	108.2	V637 V640 L797 L808 L836	V637-L831 HydrophobicContact CG2-CD2 3.83Å; V640-L831 HydrophobicContact CG2-CD2 4.48Å; L797-L831 HydrophobicContact CD1-CG 4.33Å; L797-L831 HydrophobicContact CD2-CD2 3.96Å; L797-L831 HydrophobicContact CD2-CG 4.02Å; L808-L831 PolarHBondContact N-O 2.75Å; L808-L831 PolarHBondContact O-N 2.67Å; L831-L836 HydrophobicContact CD1-CD2 3.97Å
832	K	87.1	Confident	78.1	Confident	15 Å²	15	49.8 Å²	49.8	7%	0.065	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	152.5	179.8	-75.6	-156.9	167.7	-149.4	0	111.4	E806 D834 Y835	E806-K832 HydrophobicContact CB-CD 4.44Å; E806-K832 WeakPolarHBondContact O-CG 3.46Å; E806-K832 IonicContact OE1-NZ 3.08Å; E806-K832 PolarHBondContact OE1-NZ 3.27Å; E806-K832 WeakPolarHBondContact OE2-CE 3.38Å; E806-K832 IonicContact OE2-NZ 3.19Å; E806-K832 PolarHBondContact OE2-NZ 2.82Å; K832-D834 VanDerWaalsContact C-N 3.29Å; K832-D834 WeakPolarHBondContact CB-OD1 3.42Å; K832-D834 WeakPolarHBondContact CD-OD1 3.37Å; K832-D834 PolarHBondContact O-N 3.39Å; K832-Y835 HydrophobicContact CB-CD1 4.17Å; K832-Y835 HydrophobicContact CB-CD2 3.95Å; K832-Y835 HydrophobicContact CB-CE1 4.32Å; K832-Y835 HydrophobicContact CB-CE2 4.13Å; K832-Y835 HydrophobicContact CB-CG 3.95Å; K832-Y835 HydrophobicContact CD-CE1 4.17Å; K832-Y835 HydrophobicContact CD-CE2 4.43Å; K832-Y835 HydrophobicContact CG-CD2 4.41Å; K832-Y835 HydrophobicContact CG-CE2 4.11Å; K832-Y835 PolarHBondContact O-N 3.38Å
833	K	77.3	Confident	79	Confident	60 Å²	60	48.3 Å²	48.3	26%	0.261	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-62.2	-32.4	173.4	-164.2	158.8	-178.6	162.8	0	112.9	E798 V801 Y835 V839	E798-K833 WeakPolarHBondContact OE1-CE 3.5Å; E798-K833 IonicContact OE1-NZ 3.45Å; E798-K833 PolarHBondContact OE1-NZ 3.48Å; E798-K833 IonicContact OE2-NZ 2.68Å; E798-K833 PolarHBondContact OE2-NZ 3.01Å; V801-K833 HydrophobicContact CG1-CD 4.22Å; V801-K833 HydrophobicContact CG2-CB 4.34Å; V801-K833 HydrophobicContact CG2-CD 4.2Å; K833-Y835 PolarHBondContact O-N 3.14Å; K833-V839 HydrophobicContact CD-CG1 4.42Å; K833-V839 HydrophobicContact CG-CG1 3.76Å
834	D	74.4	Confident	79.9	Confident	17 Å²	17	43.9 Å²	43.9	9%	0.091	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-71.6	-11.7	173.3	80.5	-65.2	0	0	0	114.4	K832 K931 R960	K832-D834 VanDerWaalsContact C-N 3.29Å; K832-D834 WeakPolarHBondContact CB-OD1 3.42Å; K832-D834 WeakPolarHBondContact CD-OD1 3.37Å; K832-D834 PolarHBondContact O-N 3.39Å; D834-K931 WeakPolarHBondContact O-CE 3.41Å; D834-K931 PolarHBondContact O-NZ 2.82Å; D834-R960 IonicContact OD2-CZ 2.76Å; D834-R960 IonicContact OD2-NH2 3.38Å; D834-R960 PolarHBondContact OD2-NH2 2.86Å
835	Y	70.8	Confident	80.9	Confident	33 Å²	33	36.4 Å²	36.4	13%	0.129	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-94.3	-13.7	179.5	-62.4	-5.3	0	0	0	113.5	P633 K830 K832 K833	P633-Y835 HydrophobicContact CB-CD2 4.07Å; P633-Y835 HydrophobicContact CB-CE2 3.67Å; K830-Y835 HydrophobicContact CD-CE2 4.16Å; K830-Y835 PolarHBondContact NZ-OH 2.9Å; K832-Y835 HydrophobicContact CB-CD1 4.17Å; K832-Y835 HydrophobicContact CB-CD2 3.95Å; K832-Y835 HydrophobicContact CB-CE1 4.32Å; K832-Y835 HydrophobicContact CB-CE2 4.13Å; K832-Y835 HydrophobicContact CB-CG 3.95Å; K832-Y835 HydrophobicContact CD-CE1 4.17Å; K832-Y835 HydrophobicContact CD-CE2 4.43Å; K832-Y835 HydrophobicContact CG-CD2 4.41Å; K832-Y835 HydrophobicContact CG-CE2 4.11Å; K832-Y835 PolarHBondContact O-N 3.38Å; K833-Y835 PolarHBondContact O-N 3.14Å
836	L	69.8	Low	82	Confident	36 Å²	36	36.2 Å²	36.2	19%	0.188	22%	0.216	C	C	.	.	S	Bend	trans	-72.4	131.6	173.1	-48.8	-179.8	0	0	0	109	K635 L797 L831 G838 V839 K931	K635-L836 VanDerWaalsContact O-CD2 3.24Å; K635-L836 WeakPolarHBondContact O-CD2 3.31Å; L797-L836 HydrophobicContact CD2-CD1 4.34Å; L831-L836 HydrophobicContact CD1-CD2 3.97Å; L836-G838 PolarHBondContact O-N 2.8Å; L836-V839 HydrophobicContact CB-CB 3.99Å; L836-V839 HydrophobicContact CB-CG2 3.89Å; L836-V839 HydrophobicContact CD1-CG2 4.3Å; L836-V839 PolarHBondContact O-N 3.43Å; L836-K931 PolarHBondContact O-NZ 3.5Å
837	D	63.9	Low	82.8	Confident	124 Å²	124	33.1 Å²	33.1	66%	0.663	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	128.9	178.2	-68.9	-38.6	0	0	0	109.5	K635	K635-D837 IonicContact NZ-OD1 2.77Å; K635-D837 PolarHBondContact NZ-OD1 2.95Å; K635-D837 IonicContact NZ-OD2 2.82Å; K635-D837 PolarHBondContact NZ-OD2 3.3Å
838	G	58.8	Low	83.4	Confident	89 Å²	89	31.7 Å²	31.7	92%	0.918	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.8	1.3	-174	0	0	0	0	0	116.4	L836	L836-G838 PolarHBondContact O-N 2.8Å
839	V	62	Low	83.5	Confident	53 Å²	53	31.5 Å²	31.5	32%	0.321	19%	0.193	S	C	.	.			trans	-124.2	144.9	179.3	-165.5	0	0	0	0	111.3	K833 L836 K931	K833-V839 HydrophobicContact CD-CG1 4.42Å; K833-V839 HydrophobicContact CG-CG1 3.76Å; L836-V839 HydrophobicContact CB-CB 3.99Å; L836-V839 HydrophobicContact CB-CG2 3.89Å; L836-V839 HydrophobicContact CD1-CG2 4.3Å; L836-V839 PolarHBondContact O-N 3.43Å; V839-K931 WeakPolarHBondContact O-CE 3.49Å; V839-K931 PolarHBondContact O-NZ 3.01Å
840	G	64.9	Low	83.6	Confident	31 Å²	31	31.4 Å²	31.4	32%	0.32	19%	0.192	S	C	.	.	S	Bend	trans	90.4	147.1	179.8	0	0	0	0	0	113.2	T842	G840-T842 PolarHBondContact O-N 3.16Å
841	D	73.4	Confident	83.7	Confident	66 Å²	66	30 Å²	30	35%	0.353	19%	0.186	S	C	.	.			trans	-72.5	122.3	-158.2	-58.7	-48	0	0	0	114.2	C932 L982	D841-C932 PolarHBondContact O-N 3.16Å; D841-C932 PolarHBondContact O-SG 2.83Å; D841-L982 HydrophobicContact CB-CD2 4.4Å
842	T	89.5	Confident	83.6	Confident	68 Å²	68	33.2 Å²	33.2	42%	0.417	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.7	169.6	52.7	0	0	0	0	110	G840 V930 K931 L962	G840-T842 PolarHBondContact O-N 3.16Å; T842-V930 WeakPolarHBondContact CA-O 3.18Å; T842-K931 HydrophobicContact CG2-CB 4.1Å; T842-K931 HydrophobicContact CG2-CD 4.31Å; T842-K931 HydrophobicContact CG2-CG 3.9Å; T842-L962 HydrophobicContact CG2-CD1 3.91Å
843	V	94.9	Very high	83.6	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.7	174.5	-65.7	0	0	0	0	110.6	L845 V930 L956 T974 L982	V843-L845 HydrophobicContact CB-CD2 4.33Å; V843-L845 HydrophobicContact CB-CG 4.45Å; V843-L845 HydrophobicContact CG2-CD1 4Å; V843-L845 HydrophobicContact CG2-CD2 4.09Å; V843-L845 HydrophobicContact CG2-CG 3.87Å; V843-V930 HydrophobicContact CG2-CB 4.46Å; V843-V930 PolarHBondContact N-O 3.44Å; V843-V930 PolarHBondContact O-N 2.92Å; V843-L956 HydrophobicContact CG2-CD1 3.66Å; V843-L956 HydrophobicContact CG2-CD2 4.12Å; V843-L956 HydrophobicContact CG2-CG 4.5Å; V843-T974 HydrophobicContact CB-CG2 4.08Å; V843-T974 HydrophobicContact CG1-CG2 3.9Å; V843-L982 HydrophobicContact CG1-CD1 3.57Å
844	D	97.4	Very high	83.8	Confident	15 Å²	15	35.2 Å²	35.2	8%	0.08	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	110.1	177.9	-68.4	-43.9	0	0	0	108.7	V927 W928 R965 K968 A973 T974	D844-V927 HydrophobicContact CB-CG1 3.76Å; D844-W928 CarbonylContact C-O 3.56Å; D844-W928 WeakPolarHBondContact CA-O 3.32Å; D844-R965 WeakPolarHBondContact OD1-CG 3.5Å; D844-R965 IonicContact OD1-CZ 3.68Å; D844-R965 IonicContact OD1-NE 2.75Å; D844-R965 IonicContact OD1-NH1 2.67Å; D844-R965 PolarHBondContact OD1-NH1 2.95Å; D844-R965 IonicContact OD2-CZ 2.68Å; D844-R965 IonicContact OD2-NH1 3.17Å; D844-R965 PolarHBondContact OD2-NH1 3.22Å; D844-K968 HydrophobicContact CB-CD 4.1Å; D844-K968 WeakPolarHBondContact OD2-CD 3.46Å; D844-K968 VanDerWaalsContact OD2-CE 3.29Å; D844-K968 WeakPolarHBondContact OD2-CE 3.41Å; D844-K968 IonicContact OD2-NZ 2.67Å; D844-K968 PolarHBondContact OD2-NZ 3.5Å; D844-A973 CarbonylContact O-C 3.57Å; D844-A973 WeakPolarHBondContact O-CA 3.43Å; D844-A973 WeakPolarHBondContact O-CB 3.5Å; D844-T974 PolarHBondContact N-OG1 3.38Å; D844-T974 PolarHBondContact O-N 3.13Å
845	L	98.2	Very high	84.1	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.9	-173.7	-58.6	-178.1	0	0	0	112.4	V843 L866 A867 C868 V879 V927 W928 L956 I979	V843-L845 HydrophobicContact CB-CD2 4.33Å; V843-L845 HydrophobicContact CB-CG 4.45Å; V843-L845 HydrophobicContact CG2-CD1 4Å; V843-L845 HydrophobicContact CG2-CD2 4.09Å; V843-L845 HydrophobicContact CG2-CG 3.87Å; L845-L866 HydrophobicContact CB-CB 3.94Å; L845-L866 HydrophobicContact CB-CD1 4.24Å; L845-L866 HydrophobicContact CD1-CB 3.97Å; L845-L866 HydrophobicContact CD1-CD1 4.19Å; L845-A867 CarbonylContact C-O 3.54Å; L845-A867 WeakPolarHBondContact CA-O 3.41Å; L845-C868 HydrophobicContact CD2-CB 4.19Å; L845-V879 HydrophobicContact CD1-CB 4.05Å; L845-V879 HydrophobicContact CD1-CG1 3.86Å; L845-V879 HydrophobicContact CD1-CG2 4.42Å; L845-V879 HydrophobicContact CD2-CG2 4.02Å; L845-V927 WeakPolarHBondContact O-CA 3.4Å; L845-W928 PolarHBondContact N-O 3.39Å; L845-W928 PolarHBondContact O-N 3.1Å; L845-L956 HydrophobicContact CD1-CD1 3.96Å; L845-I979 HydrophobicContact CD2-CD1 4.32Å
846	C	98.1	Very high	84.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	141.3	177.2	-166.7	0	0	0	0	111.7	L866 A867 F876 Q926 V927	C846-L866 CarbonylContact O-C 3.59Å; C846-L866 WeakPolarHBondContact O-CA 3.3Å; C846-A867 PolarHBondContact N-O 2.88Å; C846-A867 PolarHBondContact O-N 2.92Å; C846-F876 HydrophobicContact CB-CD1 4.03Å; C846-F876 HydrophobicContact CB-CE1 3.83Å; C846-Q926 WeakPolarHBondContact CA-O 3.18Å; C846-Q926 PolarHBondContact SG-O 3.42Å; C846-V927 HydrophobicContact CB-CG2 4.29Å
847	V	98.1	Very high	84.9	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.7	174.7	-172.4	0	0	0	0	109.9	F864 L866 L898 L922 Q926 W928	V847-F864 HydrophobicContact CG1-CB 4.42Å; V847-F864 HydrophobicContact CG1-CD1 4.32Å; V847-L866 HydrophobicContact CB-CD2 4.25Å; V847-L866 HydrophobicContact CG1-CD2 4.45Å; V847-L866 HydrophobicContact CG2-CD2 3.77Å; V847-L898 HydrophobicContact CG1-CD1 4.05Å; V847-L898 HydrophobicContact CG1-CD2 4.43Å; V847-L922 HydrophobicContact CG1-CD1 3.91Å; V847-Q926 PolarHBondContact N-O 3.28Å; V847-W928 HydrophobicContact CG2-CD2 3.58Å; V847-W928 VanDerWaalsContact CG2-CE2 3.48Å; V847-W928 HydrophobicContact CG2-CE3 3.84Å; V847-W928 HydrophobicContact CG2-CG 4.14Å; V847-W928 HydrophobicContact CG2-CH2 3.93Å; V847-W928 HydrophobicContact CG2-CZ2 3.67Å; V847-W928 HydrophobicContact CG2-CZ3 3.99Å
848	I	98.1	Very high	85.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-2.3	-179	61.9	159.8	0	0	0	114.1	L865 A867 F876 Y910 V912 L922	I848-L865 HydrophobicContact CD1-CD2 3.93Å; I848-L865 HydrophobicContact CD1-CG 4.18Å; I848-L865 HydrophobicContact CG1-CD2 4.05Å; I848-L865 HydrophobicContact CG1-CG 3.98Å; I848-L865 PolarHBondContact N-O 3.13Å; I848-L865 VanDerWaalsContact N-O 3.07Å; I848-A867 HydrophobicContact CD1-CB 3.81Å; I848-A867 HydrophobicContact CG1-CB 4.07Å; I848-A867 HydrophobicContact CG2-CB 4.05Å; I848-F876 HydrophobicContact CG2-CB 4.27Å; I848-F876 HydrophobicContact CG2-CG 4.48Å; I848-Y910 HydrophobicContact CB-CD2 4.39Å; I848-Y910 HydrophobicContact CB-CE1 4.43Å; I848-Y910 HydrophobicContact CB-CE2 4.04Å; I848-Y910 HydrophobicContact CG2-CD1 4.42Å; I848-Y910 HydrophobicContact CG2-CE1 3.89Å; I848-Y910 HydrophobicContact CG2-CE2 4.36Å; I848-V912 HydrophobicContact CD1-CG2 3.67Å; I848-L922 PolarHBondContact O-N 2.99Å; I848-L922 VanDerWaalsContact O-N 3.16Å
849	G	97.6	Very high	87.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	163.7	178.3	0	0	0	0	0	114.1	F864 L865 V920	G849-F864 CarbonylContact O-C 3.6Å; G849-F864 WeakPolarHBondContact O-CA 3.49Å; G849-L865 PolarHBondContact N-O 3.17Å; G849-L865 PolarHBondContact O-N 3.45Å; G849-V920 CarbonylContact C-O 3.52Å; G849-V920 WeakPolarHBondContact CA-O 3.14Å
850	A	96.8	Very high	88.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.2	178.2	0	0	0	0	0	112.5	Y861 F864 P918 D919 V920 L922	A850-Y861 HydrophobicContact CB-CD1 3.48Å; A850-Y861 VanDerWaalsContact CB-CD1 3.48Å; A850-Y861 HydrophobicContact CB-CD2 3.93Å; A850-Y861 HydrophobicContact CB-CE1 3.76Å; A850-Y861 HydrophobicContact CB-CE2 4.19Å; A850-Y861 HydrophobicContact CB-CG 3.59Å; A850-F864 HydrophobicContact CB-CD1 3.85Å; A850-F864 HydrophobicContact CB-CE1 4.15Å; A850-P918 WeakPolarHBondContact O-CB 3.23Å; A850-D919 PolarHBondContact O-N 3.01Å; A850-D919 VanDerWaalsContact O-N 3.14Å; A850-V920 PolarHBondContact N-O 3.22Å; A850-V920 PolarHBondContact O-N 3.44Å; A850-L922 HydrophobicContact CB-CD1 3.85Å; A850-L922 HydrophobicContact CB-CG 4.46Å
851	Y	94.3	Very high	89.7	Confident	21 Å²	21	39.5 Å²	39.5	8%	0.082	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.5	175.7	-56.3	-91.6	0	0	0	109.6	G853 Y861 G862 G863 L865 K881 A916 E917 P918 D919	Y851-G853 PolarHBondContact O-N 2.93Å; Y851-Y861 CarbonylContact O-C 3.6Å; Y851-Y861 WeakPolarHBondContact O-CA 3.09Å; Y851-G862 PolarHBondContact O-N 2.68Å; Y851-G863 PolarHBondContact N-O 3.02Å; Y851-L865 HydrophobicContact CE2-CB 4Å; Y851-K881 HydrophobicContact CD2-CD 3.95Å; Y851-K881 HydrophobicContact CD2-CG 4.17Å; Y851-K881 HydrophobicContact CE1-CD 4.27Å; Y851-K881 HydrophobicContact CE2-CB 4.37Å; Y851-K881 HydrophobicContact CE2-CD 3.5Å; Y851-K881 VanDerWaalsContact CE2-CD 3.5Å; Y851-K881 VanDerWaalsContact CE2-CE 3.44Å; Y851-K881 HydrophobicContact CE2-CG 3.66Å; Y851-A916 PolarHBondContact OH-O 2.96Å; Y851-E917 WeakPolarHBondContact CE1-O 3.25Å; Y851-P918 HydrophobicContact CE1-CB 4.36Å; Y851-D919 VanDerWaalsContact CA-OD2 3.24Å; Y851-D919 WeakPolarHBondContact CA-OD2 3.42Å
852	L	91.1	Very high	90.4	Very high	67 Å²	67	37.3 Å²	37.3	35%	0.351	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.1	-178.7	-68.9	171.8	0	0	0	110.5	Q460 Y861 D919 V920	Q460-L852 HydrophobicContact CG-CD1 4.01Å; L852-Y861 HydrophobicContact CD2-CE1 4.49Å; L852-D919 HydrophobicContact CB-CB 4.29Å; L852-D919 HydrophobicContact CD1-CB 4.03Å; L852-D919 HydrophobicContact CG-CB 3.71Å; L852-D919 PolarHBondContact N-OD2 3.43Å; L852-V920 HydrophobicContact CD2-CG2 4.36Å
853	G	86.6	Confident	90.7	Very high	5 Å²	5	34.2 Å²	34.2	5%	0.052	19%	0.192	C	C	.	.			trans	-68.3	142.9	178.8	0	0	0	0	0	112.1	Y851 R857 T858 T860	Y851-G853 PolarHBondContact O-N 2.93Å; G853-R857 VanDerWaalsContact CA-O 3.29Å; G853-R857 WeakPolarHBondContact CA-O 3.22Å; G853-T858 WeakPolarHBondContact O-CA 3.29Å; G853-T860 PolarHBondContact N-O 3.2Å
854	K	81.8	Confident	90.8	Very high	112 Å²	112	34.1 Å²	34.1	49%	0.487	19%	0.191	S	C	.	.			trans	-116.4	139	173.9	-63.7	-169.4	179.6	-168.6	0	109.4	E437	E437-K854 IonicContact OE1-NZ 3.42Å; E437-K854 PolarHBondContact OE1-NZ 2.65Å; E437-K854 IonicContact OE2-NZ 2.69Å; E437-K854 PolarHBondContact OE2-NZ 3.28Å; E437-K854 VanDerWaalsContact OE2-NZ 3.16Å
855	G	80.2	Confident	90.8	Very high	32 Å²	32	33.4 Å²	33.4	33%	0.33	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	78.2	-125.4	178.9	0	0	0	0	0	111.7	R857 T858	G855-R857 PolarHBondContact O-N 2.85Å; G855-R857 VanDerWaalsContact O-N 3.09Å; G855-T858 PolarHBondContact N-OG1 3Å; G855-T858 VanDerWaalsContact N-OG1 3.08Å; G855-T858 WeakPolarHBondContact O-CB 3.33Å; G855-T858 PolarHBondContact O-N 2.66Å; G855-T858 PolarHBondContact O-OG1 3Å; G855-T858 VanDerWaalsContact O-OG1 3.12Å
856	K	75.4	Confident	90.8	Very high	220 Å²	220	33.4 Å²	33.4	96%	0.957	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-55.4	-27.3	178.9	-74.7	-167.7	174.5	-170.4	0	114
857	R	82.4	Confident	90.8	Very high	69 Å²	69	33.4 Å²	33.4	26%	0.26	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-95.7	8.4	178	-63.7	-174.9	-178.1	164.8	-0.3	113.9	G853 G855 G859 T860 G862 G883 L891	G853-R857 VanDerWaalsContact CA-O 3.29Å; G853-R857 WeakPolarHBondContact CA-O 3.22Å; G855-R857 PolarHBondContact O-N 2.85Å; G855-R857 VanDerWaalsContact O-N 3.09Å; R857-G859 PolarHBondContact O-N 3.08Å; R857-T860 HydrophobicContact CB-CG2 4.01Å; R857-T860 VanDerWaalsContact O-CG2 3.25Å; R857-T860 WeakPolarHBondContact O-CG2 3.42Å; R857-T860 PolarHBondContact O-N 3.03Å; R857-T860 VanDerWaalsContact O-N 3.13Å; R857-G862 PolarHBondContact NH1-O 3.2Å; R857-G883 PolarHBondContact NH1-O 3.35Å; R857-L891 VanDerWaalsContact CZ-CD1 3.45Å; R857-L891 VanDerWaalsContact NE-CD1 3.33Å
858	T	84.2	Confident	90.8	Very high	60 Å²	60	33.3 Å²	33.3	37%	0.368	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	130.5	175.6	-67.4	0	0	0	0	110.4	G853 G855	G853-T858 WeakPolarHBondContact O-CA 3.29Å; G855-T858 PolarHBondContact N-OG1 3Å; G855-T858 VanDerWaalsContact N-OG1 3.08Å; G855-T858 WeakPolarHBondContact O-CB 3.33Å; G855-T858 PolarHBondContact O-N 2.66Å; G855-T858 PolarHBondContact O-OG1 3Å; G855-T858 VanDerWaalsContact O-OG1 3.12Å
859	G	84.1	Confident	90.8	Very high	62 Å²	62	34.9 Å²	34.9	64%	0.639	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.9	-11.3	-177.2	0	0	0	0	0	115.1	R857	R857-G859 PolarHBondContact O-N 3.08Å
860	T	89.9	Confident	90.7	Very high	24 Å²	24	35.1 Å²	35.1	15%	0.147	20%	0.195	C	C	.	.	S	Bend	trans	-124.5	-176.6	171.9	-173.3	0	0	0	0	110.5	G853 R857 Y895	G853-T860 PolarHBondContact N-O 3.2Å; R857-T860 HydrophobicContact CB-CG2 4.01Å; R857-T860 VanDerWaalsContact O-CG2 3.25Å; R857-T860 WeakPolarHBondContact O-CG2 3.42Å; R857-T860 PolarHBondContact O-N 3.03Å; R857-T860 VanDerWaalsContact O-N 3.13Å; T860-Y895 VanDerWaalsContact OG1-CB 3.25Å; T860-Y895 WeakPolarHBondContact OG1-CB 3.37Å
861	Y	91.9	Very high	90.4	Very high	5 Å²	5	41 Å²	41	2%	0.02	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.7	175.2	-60.4	-47.4	0	0	0	111.1	A850 Y851 L852 F864 Y895 L898 V920	A850-Y861 HydrophobicContact CB-CD1 3.48Å; A850-Y861 VanDerWaalsContact CB-CD1 3.48Å; A850-Y861 HydrophobicContact CB-CD2 3.93Å; A850-Y861 HydrophobicContact CB-CE1 3.76Å; A850-Y861 HydrophobicContact CB-CE2 4.19Å; A850-Y861 HydrophobicContact CB-CG 3.59Å; Y851-Y861 CarbonylContact O-C 3.6Å; Y851-Y861 WeakPolarHBondContact O-CA 3.09Å; L852-Y861 HydrophobicContact CD2-CE1 4.49Å; Y861-F864 AromaticContact CD2-CE1 3.75Å; Y861-F864 HydrophobicContact CD2-CE1 3.75Å; Y861-F864 HydrophobicContact CD2-CZ 4.31Å; Y861-F864 HydrophobicContact CG-CE1 4.04Å; Y861-F864 HydrophobicContact CG-CZ 4.47Å; Y861-Y895 HydrophobicContact CD1-CD2 4.34Å; Y861-Y895 AromaticContact CD2-CD2 3.61Å; Y861-Y895 HydrophobicContact CD2-CD2 3.61Å; Y861-Y895 HydrophobicContact CD2-CG 4.38Å; Y861-Y895 HydrophobicContact CE1-CD2 4.33Å; Y861-Y895 HydrophobicContact CE1-CE2 4.38Å; Y861-Y895 AromaticContact CE2-CD2 3.59Å; Y861-Y895 HydrophobicContact CE2-CD2 3.59Å; Y861-Y895 HydrophobicContact CE2-CE2 4.23Å; Y861-Y895 HydrophobicContact CE2-CG 4.47Å; Y861-Y895 AromaticContact CG-CD2 3.99Å; Y861-Y895 HydrophobicContact CG-CD2 3.99Å; Y861-Y895 AromaticContact CZ-CD2 3.96Å; Y861-L898 HydrophobicContact CE2-CB 4.24Å; Y861-V920 HydrophobicContact CE1-CB 4.28Å; Y861-V920 HydrophobicContact CE1-CG2 4.05Å
862	G	88.8	Confident	90.3	Very high	21 Å²	21	46.8 Å²	46.8	22%	0.216	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-24.7	179.6	0	0	0	0	0	113.6	Y851 R857	Y851-G862 PolarHBondContact O-N 2.68Å; R857-G862 PolarHBondContact NH1-O 3.2Å
863	G	94.3	Very high	90.3	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178	176.3	-178.3	0	0	0	0	0	110.6	Y851 I882	Y851-G863 PolarHBondContact N-O 3.02Å; G863-I882 CarbonylContact C-O 3.5Å; G863-I882 WeakPolarHBondContact CA-O 3.5Å
864	F	97.4	Very high	90.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.4	-166.2	-53.2	-90.1	0	0	0	111.7	V847 G849 A850 Y861 L866 K881 I882 F886 L891 H894 L898 W928	V847-F864 HydrophobicContact CG1-CB 4.42Å; V847-F864 HydrophobicContact CG1-CD1 4.32Å; G849-F864 CarbonylContact O-C 3.6Å; G849-F864 WeakPolarHBondContact O-CA 3.49Å; A850-F864 HydrophobicContact CB-CD1 3.85Å; A850-F864 HydrophobicContact CB-CE1 4.15Å; Y861-F864 AromaticContact CD2-CE1 3.75Å; Y861-F864 HydrophobicContact CD2-CE1 3.75Å; Y861-F864 HydrophobicContact CD2-CZ 4.31Å; Y861-F864 HydrophobicContact CG-CE1 4.04Å; Y861-F864 HydrophobicContact CG-CZ 4.47Å; F864-L866 HydrophobicContact CB-CD2 4.42Å; F864-K881 CarbonylContact O-C 3.22Å; F864-K881 VanDerWaalsContact O-CA 3.31Å; F864-K881 WeakPolarHBondContact O-CA 3.48Å; F864-I882 HydrophobicContact CB-CG2 3.98Å; F864-I882 HydrophobicContact CD2-CG2 4.35Å; F864-I882 PolarHBondContact N-O 2.59Å; F864-I882 PolarHBondContact O-N 2.82Å; F864-F886 HydrophobicContact CD2-CE2 4.28Å; F864-F886 AromaticContact CD2-CZ 3.92Å; F864-F886 HydrophobicContact CD2-CZ 3.92Å; F864-F886 HydrophobicContact CE2-CE1 4.39Å; F864-F886 HydrophobicContact CE2-CE2 4.38Å; F864-F886 HydrophobicContact CE2-CZ 4.11Å; F864-L891 HydrophobicContact CE2-CD2 4Å; F864-L891 HydrophobicContact CZ-CD2 4.5Å; F864-H894 HydrophobicContact CZ-CB 4.12Å; F864-L898 HydrophobicContact CD1-CD1 3.98Å; F864-L898 HydrophobicContact CE1-CD1 3.64Å; F864-W928 HydrophobicContact CB-CH2 4.06Å; F864-W928 HydrophobicContact CB-CZ3 3.85Å; F864-W928 AromaticContact CD1-CH2 3.8Å; F864-W928 HydrophobicContact CD1-CH2 3.8Å; F864-W928 HydrophobicContact CD1-CZ3 4.45Å; F864-W928 AromaticContact CD2-CH2 3.43Å; F864-W928 HydrophobicContact CD2-CH2 3.43Å; F864-W928 VanDerWaalsContact CD2-CH2 3.43Å; F864-W928 AromaticContact CD2-CZ3 3.62Å; F864-W928 HydrophobicContact CD2-CZ3 3.62Å; F864-W928 HydrophobicContact CE1-CH2 4.07Å; F864-W928 AromaticContact CE2-CH2 3.73Å; F864-W928 HydrophobicContact CE2-CH2 3.73Å; F864-W928 HydrophobicContact CE2-CZ3 4.3Å; F864-W928 AromaticContact CG-CH2 3.47Å; F864-W928 HydrophobicContact CG-CH2 3.47Å; F864-W928 VanDerWaalsContact CG-CH2 3.47Å; F864-W928 AromaticContact CG-CZ3 3.72Å; F864-W928 HydrophobicContact CG-CZ3 3.72Å; F864-W928 HydrophobicContact CZ-CH2 4.04Å
865	L	98.1	Very high	91.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.5	172.1	178.1	66.3	0	0	0	108.7	I848 G849 Y851 V912 P918 Y941	I848-L865 HydrophobicContact CD1-CD2 3.93Å; I848-L865 HydrophobicContact CD1-CG 4.18Å; I848-L865 HydrophobicContact CG1-CD2 4.05Å; I848-L865 HydrophobicContact CG1-CG 3.98Å; I848-L865 PolarHBondContact N-O 3.13Å; I848-L865 VanDerWaalsContact N-O 3.07Å; G849-L865 PolarHBondContact N-O 3.17Å; G849-L865 PolarHBondContact O-N 3.45Å; Y851-L865 HydrophobicContact CE2-CB 4Å; L865-V912 HydrophobicContact CD2-CG1 3.64Å; L865-V912 HydrophobicContact CD2-CG2 4.07Å; L865-P918 HydrophobicContact CD2-CG 4.34Å; L865-Y941 HydrophobicContact CD1-CE1 4.01Å
866	L	98.3	Very high	92.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.5	-176.9	-55.2	-173.5	0	0	0	111.6	L845 C846 V847 F864 V879 C880 I882 W928 V930	L845-L866 HydrophobicContact CB-CB 3.94Å; L845-L866 HydrophobicContact CB-CD1 4.24Å; L845-L866 HydrophobicContact CD1-CB 3.97Å; L845-L866 HydrophobicContact CD1-CD1 4.19Å; C846-L866 CarbonylContact O-C 3.59Å; C846-L866 WeakPolarHBondContact O-CA 3.3Å; V847-L866 HydrophobicContact CB-CD2 4.25Å; V847-L866 HydrophobicContact CG1-CD2 4.45Å; V847-L866 HydrophobicContact CG2-CD2 3.77Å; F864-L866 HydrophobicContact CB-CD2 4.42Å; L866-V879 PolarHBondContact O-N 3.38Å; L866-C880 PolarHBondContact N-O 2.76Å; L866-C880 PolarHBondContact O-N 3.38Å; L866-I882 HydrophobicContact CD1-CB 4.16Å; L866-I882 HydrophobicContact CD1-CD1 4.12Å; L866-I882 HydrophobicContact CD1-CG2 3.81Å; L866-I882 HydrophobicContact CD2-CG2 4.38Å; L866-I882 HydrophobicContact CG-CG2 4Å; L866-W928 HydrophobicContact CD1-CE3 4.33Å; L866-W928 HydrophobicContact CD2-CE3 3.78Å; L866-W928 HydrophobicContact CD2-CZ3 3.99Å; L866-V930 HydrophobicContact CD1-CG2 3.66Å
867	A	98.2	Very high	93.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	151.4	-178.7	0	0	0	0	0	112.8	L845 C846 I848 F876 Q877	L845-A867 CarbonylContact C-O 3.54Å; L845-A867 WeakPolarHBondContact CA-O 3.41Å; C846-A867 PolarHBondContact N-O 2.88Å; C846-A867 PolarHBondContact O-N 2.92Å; I848-A867 HydrophobicContact CD1-CB 3.81Å; I848-A867 HydrophobicContact CG1-CB 4.07Å; I848-A867 HydrophobicContact CG2-CB 4.05Å; A867-F876 HydrophobicContact CB-CB 3.94Å; A867-F876 HydrophobicContact CB-CD1 4.38Å; A867-Q877 CarbonylContact C-O 3.58Å; A867-Q877 WeakPolarHBondContact CA-O 3.3Å; A867-Q877 VanDerWaalsContact CB-O 3.22Å; A867-Q877 WeakPolarHBondContact CB-O 3.35Å
868	C	97.6	Very high	94.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	162.7	163.8	60	0	0	0	0	109.6	L845 F876 Q877 V879 A943 T974 I979	L845-C868 HydrophobicContact CD2-CB 4.19Å; C868-F876 WeakPolarHBondContact O-CA 3.41Å; C868-Q877 PolarHBondContact N-O 3.46Å; C868-Q877 PolarHBondContact O-N 2.97Å; C868-Q877 PolarHBondContact SG-O 3.49Å; C868-V879 HydrophobicContact CB-CG2 3.63Å; C868-V879 VanDerWaalsContact N-CG2 3.31Å; C868-A943 WeakPolarHBondContact SG-CB 3.44Å; C868-T974 WeakPolarHBondContact CA-O 3.41Å; C868-T974 WeakPolarHBondContact CB-O 3.45Å; C868-I979 HydrophobicContact CB-CD1 3.57Å
869	Y	97.9	Very high	94.7	Very high	33 Å²	33	34.3 Å²	34.3	13%	0.129	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	149	171.4	-168.7	-122.4	0	0	0	110.8	E871 E875 F876 E971 T974 T975 G976	Y869-E871 HydrophobicContact CD1-CG 3.87Å; Y869-E871 HydrophobicContact CE1-CG 4Å; Y869-E875 CarbonylContact C-O 3.56Å; Y869-F876 HydrophobicContact CD2-CD1 4.23Å; Y869-F876 AromaticContact CD2-CE1 3.78Å; Y869-F876 HydrophobicContact CD2-CE1 3.78Å; Y869-F876 HydrophobicContact CD2-CE2 4.09Å; Y869-F876 AromaticContact CD2-CZ 3.69Å; Y869-F876 HydrophobicContact CD2-CZ 3.69Å; Y869-F876 HydrophobicContact CE2-CE2 4.25Å; Y869-F876 HydrophobicContact CE2-CZ 4.16Å; Y869-F876 HydrophobicContact CG-CE1 4.45Å; Y869-E971 HydrophobicContact CE1-CB 4.39Å; Y869-T974 PolarHBondContact N-O 2.95Å; Y869-T975 CarbonylContact O-C 3.58Å; Y869-T975 WeakPolarHBondContact O-CA 3.21Å; Y869-G976 PolarHBondContact O-N 3.33Å
870	D	95.3	Very high	95.3	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.027	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	101	177.9	-178.9	24	0	0	0	108.8	D872 N873 E874 E875 Q877	D870-D872 VanDerWaalsContact C-N 3.31Å; D870-D872 PolarHBondContact O-N 3.3Å; D870-N873 PolarHBondContact O-N 2.85Å; D870-N873 WeakPolarHBondContact OD2-CB 3.34Å; D870-N873 PolarHBondContact OD2-ND2 3.23Å; D870-E874 WeakPolarHBondContact O-CA 3.49Å; D870-E874 PolarHBondContact O-N 3.45Å; D870-E875 HydrophobicContact CB-CB 4.39Å; D870-E875 WeakPolarHBondContact CB-O 3.41Å; D870-E875 PolarHBondContact N-O 3.42Å; D870-E875 PolarHBondContact O-N 3.11Å; D870-E875 VanDerWaalsContact O-N 3.15Å; D870-Q877 HydrophobicContact CB-CG 3.94Å; D870-Q877 PolarHBondContact OD2-NE2 3.09Å
871	E	91.6	Very high	95.6	Very high	124 Å²	124	35.1 Å²	35.1	58%	0.579	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-29.2	-171.6	-63.2	175.7	131	0	0	112.4	Y869 T975	Y869-E871 HydrophobicContact CD1-CG 3.87Å; Y869-E871 HydrophobicContact CE1-CG 4Å; E871-T975 HydrophobicContact CG-CG2 3.96Å
872	D	90.4	Very high	95.7	Very high	141 Å²	141	35 Å²	35	75%	0.754	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-27.4	-177.8	-71.5	-36.3	0	0	0	113	D870	D870-D872 VanDerWaalsContact C-N 3.31Å; D870-D872 PolarHBondContact O-N 3.3Å
873	N	92.6	Very high	95.8	Very high	104 Å²	104	35 Å²	35	56%	0.556	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	-6.9	-178	-60.3	-78.5	0	0	0	113.8	D870 E875	D870-N873 PolarHBondContact O-N 2.85Å; D870-N873 WeakPolarHBondContact OD2-CB 3.34Å; D870-N873 PolarHBondContact OD2-ND2 3.23Å; N873-E875 HydrophobicContact CB-CB 4.38Å; N873-E875 HydrophobicContact CB-CG 3.75Å; N873-E875 WeakPolarHBondContact O-CG 3.48Å
874	E	94.7	Very high	95.6	Very high	144 Å²	144	38.8 Å²	38.8	67%	0.673	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	41.3	-169.5	-56.7	-174.3	168	0	0	113.7	D870	D870-E874 WeakPolarHBondContact O-CA 3.49Å; D870-E874 PolarHBondContact O-N 3.45Å
875	E	96.8	Very high	95.1	Very high	28 Å²	28	41 Å²	41	13%	0.131	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	154.9	-170.5	-58.4	-161.3	140.2	0	0	115.1	Y869 D870 N873 Y909 R911	Y869-E875 CarbonylContact C-O 3.56Å; D870-E875 HydrophobicContact CB-CB 4.39Å; D870-E875 WeakPolarHBondContact CB-O 3.41Å; D870-E875 PolarHBondContact N-O 3.42Å; D870-E875 PolarHBondContact O-N 3.11Å; D870-E875 VanDerWaalsContact O-N 3.15Å; N873-E875 HydrophobicContact CB-CB 4.38Å; N873-E875 HydrophobicContact CB-CG 3.75Å; N873-E875 WeakPolarHBondContact O-CG 3.48Å; E875-Y909 WeakPolarHBondContact CA-O 3.32Å; E875-Y909 WeakPolarHBondContact CB-O 3.49Å; E875-R911 HydrophobicContact CB-CG 4.41Å; E875-R911 VanDerWaalsContact CD-NE 3.33Å; E875-R911 IonicContact OE1-CZ 3.49Å; E875-R911 IonicContact OE1-NE 3.03Å; E875-R911 PolarHBondContact OE1-NE 2.85Å; E875-R911 IonicContact OE1-NH1 2.81Å; E875-R911 IonicContact OE1-NH2 3.37Å; E875-R911 PolarHBondContact OE1-NH2 3.41Å; E875-R911 WeakPolarHBondContact OE2-CD 3.18Å; E875-R911 WeakPolarHBondContact OE2-CG 3.25Å; E875-R911 IonicContact OE2-CZ 3.8Å; E875-R911 IonicContact OE2-NE 3.09Å; E875-R911 PolarHBondContact OE2-NE 3.13Å; E875-R911 IonicContact OE2-NH2 3.97Å; E875-R911 PolarHBondContact OE2-NH2 3.26Å
876	F	97.9	Very high	94.6	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.035	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	104.4	169.9	-72.5	-80.3	0	0	0	110.2	C846 I848 A867 C868 Y869 Y909 Y910 R911 A924 P970	C846-F876 HydrophobicContact CB-CD1 4.03Å; C846-F876 HydrophobicContact CB-CE1 3.83Å; I848-F876 HydrophobicContact CG2-CB 4.27Å; I848-F876 HydrophobicContact CG2-CG 4.48Å; A867-F876 HydrophobicContact CB-CB 3.94Å; A867-F876 HydrophobicContact CB-CD1 4.38Å; C868-F876 WeakPolarHBondContact O-CA 3.41Å; Y869-F876 HydrophobicContact CD2-CD1 4.23Å; Y869-F876 AromaticContact CD2-CE1 3.78Å; Y869-F876 HydrophobicContact CD2-CE1 3.78Å; Y869-F876 HydrophobicContact CD2-CE2 4.09Å; Y869-F876 AromaticContact CD2-CZ 3.69Å; Y869-F876 HydrophobicContact CD2-CZ 3.69Å; Y869-F876 HydrophobicContact CE2-CE2 4.25Å; Y869-F876 HydrophobicContact CE2-CZ 4.16Å; Y869-F876 HydrophobicContact CG-CE1 4.45Å; F876-Y909 AromaticContact CD2-CD2 3.97Å; F876-Y909 HydrophobicContact CD2-CD2 3.97Å; F876-Y909 HydrophobicContact CD2-CE2 4.07Å; F876-Y909 HydrophobicContact CE2-CE2 4.38Å; F876-Y909 PolarHBondContact N-O 3.26Å; F876-Y910 HydrophobicContact CB-CD1 3.84Å; F876-Y910 HydrophobicContact CB-CE1 4.11Å; F876-Y910 HydrophobicContact CD2-CD1 4.26Å; F876-Y910 AromaticContact CD2-CE1 3.92Å; F876-Y910 HydrophobicContact CD2-CE1 3.92Å; F876-Y910 HydrophobicContact CG-CD1 4.44Å; F876-Y910 HydrophobicContact CG-CE1 4.27Å; F876-R911 PolarHBondContact O-N 3.47Å; F876-A924 HydrophobicContact CD2-CB 4.42Å; F876-A924 HydrophobicContact CE2-CB 4.11Å; F876-A924 HydrophobicContact CZ-CB 4.3Å; F876-P970 HydrophobicContact CE1-CB 3.97Å; F876-P970 WeakPolarHBondContact CE1-O 3.38Å; F876-P970 HydrophobicContact CE2-CB 4.48Å; F876-P970 HydrophobicContact CZ-CB 3.5Å; F876-P970 VanDerWaalsContact CZ-CB 3.5Å
877	Q	97.8	Very high	94.1	Very high	20 Å²	20	48.6 Å²	48.6	9%	0.093	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.3	179.3	-58.5	179.2	-5.9	0	0	110.5	A867 C868 D870 V879 R911 K942 A943	A867-Q877 CarbonylContact C-O 3.58Å; A867-Q877 WeakPolarHBondContact CA-O 3.3Å; A867-Q877 VanDerWaalsContact CB-O 3.22Å; A867-Q877 WeakPolarHBondContact CB-O 3.35Å; C868-Q877 PolarHBondContact N-O 3.46Å; C868-Q877 PolarHBondContact O-N 2.97Å; C868-Q877 PolarHBondContact SG-O 3.49Å; D870-Q877 HydrophobicContact CB-CG 3.94Å; D870-Q877 PolarHBondContact OD2-NE2 3.09Å; Q877-V879 PolarHBondContact O-N 3.29Å; Q877-R911 HydrophobicContact CG-CB 4.35Å; Q877-K942 PolarHBondContact OE1-O 3.33Å; Q877-A943 HydrophobicContact CB-CB 4.46Å; Q877-A943 VanDerWaalsContact OE1-CA 3.23Å
878	S	97.9	Very high	93.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	131.1	179.5	53.5	0	0	0	0	112.5	R911 Y941 K942 A943	S878-R911 WeakPolarHBondContact CB-O 3.46Å; S878-R911 PolarHBondContact N-O 2.92Å; S878-R911 PolarHBondContact OG-O 3.44Å; S878-Y941 WeakPolarHBondContact O-CB 3.27Å; S878-K942 PolarHBondContact O-N 2.85Å; S878-A943 PolarHBondContact O-N 3.16Å
879	V	97.1	Very high	93	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-51.2	-176.9	175.5	0	0	0	0	111.8	L845 L866 C868 Q877 Y941 A943 S955 L956 I979	L845-V879 HydrophobicContact CD1-CB 4.05Å; L845-V879 HydrophobicContact CD1-CG1 3.86Å; L845-V879 HydrophobicContact CD1-CG2 4.42Å; L845-V879 HydrophobicContact CD2-CG2 4.02Å; L866-V879 PolarHBondContact O-N 3.38Å; C868-V879 HydrophobicContact CB-CG2 3.63Å; C868-V879 VanDerWaalsContact N-CG2 3.31Å; Q877-V879 PolarHBondContact O-N 3.29Å; V879-Y941 WeakPolarHBondContact O-CB 3.35Å; V879-Y941 WeakPolarHBondContact O-CD2 3.49Å; V879-A943 HydrophobicContact CB-CB 4.23Å; V879-A943 HydrophobicContact CG2-CB 3.47Å; V879-A943 VanDerWaalsContact CG2-CB 3.47Å; V879-S955 WeakPolarHBondContact O-CA 3.25Å; V879-S955 VanDerWaalsContact O-CB 3.29Å; V879-S955 WeakPolarHBondContact O-CB 3.26Å; V879-S955 PolarHBondContact O-OG 3.01Å; V879-L956 HydrophobicContact CG1-CD1 4.4Å; V879-L956 HydrophobicContact CG1-CD2 4.45Å; V879-L956 HydrophobicContact CG1-CG 3.94Å; V879-I979 HydrophobicContact CG1-CD1 4.26Å; V879-I979 HydrophobicContact CG2-CD1 3.7Å
880	C	96.4	Very high	92.5	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.014	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	165.4	-174.3	71.8	0	0	0	0	113.5	L866 L956 P959	L866-C880 PolarHBondContact N-O 2.76Å; L866-C880 PolarHBondContact O-N 3.38Å; C880-L956 HydrophobicContact CB-CB 4.49Å; C880-P959 HydrophobicContact CB-CG 4.5Å
881	K	96.1	Very high	92.2	Very high	100 Å²	100	60.3 Å²	60.3	44%	0.435	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.7	165.7	175.7	171.7	-174.3	153.3	0	109.8	Y851 F864 Y941	Y851-K881 HydrophobicContact CD2-CD 3.95Å; Y851-K881 HydrophobicContact CD2-CG 4.17Å; Y851-K881 HydrophobicContact CE1-CD 4.27Å; Y851-K881 HydrophobicContact CE2-CB 4.37Å; Y851-K881 HydrophobicContact CE2-CD 3.5Å; Y851-K881 VanDerWaalsContact CE2-CD 3.5Å; Y851-K881 VanDerWaalsContact CE2-CE 3.44Å; Y851-K881 HydrophobicContact CE2-CG 3.66Å; F864-K881 CarbonylContact O-C 3.22Å; F864-K881 VanDerWaalsContact O-CA 3.31Å; F864-K881 WeakPolarHBondContact O-CA 3.48Å; K881-Y941 VanDerWaalsContact CB-OH 3.31Å; K881-Y941 WeakPolarHBondContact CB-OH 3.19Å; K881-Y941 PolarHBondContact N-OH 3.35Å
882	I	94.9	Very high	92.1	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.015	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150	-177.8	-157.5	165	0	0	0	111.6	G863 F864 L866 F886 W928 V930 P959 F961	G863-I882 CarbonylContact C-O 3.5Å; G863-I882 WeakPolarHBondContact CA-O 3.5Å; F864-I882 HydrophobicContact CB-CG2 3.98Å; F864-I882 HydrophobicContact CD2-CG2 4.35Å; F864-I882 PolarHBondContact N-O 2.59Å; F864-I882 PolarHBondContact O-N 2.82Å; L866-I882 HydrophobicContact CD1-CB 4.16Å; L866-I882 HydrophobicContact CD1-CD1 4.12Å; L866-I882 HydrophobicContact CD1-CG2 3.81Å; L866-I882 HydrophobicContact CD2-CG2 4.38Å; L866-I882 HydrophobicContact CG-CG2 4Å; I882-F886 HydrophobicContact CG1-CE2 4.33Å; I882-F886 HydrophobicContact CG1-CZ 4.49Å; I882-F886 HydrophobicContact CG2-CE2 4.22Å; I882-F886 HydrophobicContact CG2-CZ 3.93Å; I882-W928 HydrophobicContact CG2-CE3 4.43Å; I882-W928 HydrophobicContact CG2-CZ3 3.99Å; I882-V930 HydrophobicContact CD1-CG1 3.89Å; I882-V930 HydrophobicContact CD1-CG2 4.08Å; I882-P959 HydrophobicContact CD1-CB 4.19Å; I882-P959 HydrophobicContact CG1-CB 4.36Å; I882-F961 HydrophobicContact CD1-CB 4.24Å
883	G	91.4	Very high	92.2	Very high	20 Å²	20	57.4 Å²	57.4	21%	0.206	30%	0.297	C	S	.	.			trans	-156.4	13.3	176.3	0	0	0	0	0	114.2	R857	R857-G883 PolarHBondContact NH1-O 3.35Å
884	T	89	Confident	92.2	Very high	82 Å²	82	52.7 Å²	52.7	50%	0.503	27%	0.271	S	S	.	.			trans	-142.4	146.3	-164.3	35.6	0	0	0	0	110.5	P959 R960 F961	T884-P959 PolarHBondContact OG1-O 2.68Å; T884-P959 VanDerWaalsContact OG1-O 3.09Å; T884-R960 WeakPolarHBondContact O-CA 3.49Å; T884-F961 PolarHBondContact O-N 2.72Å
885	G	86.4	Confident	92.2	Very high	47 Å²	47	48.1 Å²	48.1	49%	0.485	25%	0.248	S	C	.	.	S	Bend	trans	106.6	-32.4	-173.3	0	0	0	0	0	113.1	F961	G885-F961 WeakPolarHBondContact CA-O 3.35Å
886	F	89.4	Confident	92	Very high	19 Å²	19	52.1 Å²	52.1	8%	0.083	27%	0.265	C	S	.	.			trans	-69.4	142.5	175.5	-41	-84	0	0	0	113.2	F864 I882 D890 L891 H894 W928 F961	F864-F886 HydrophobicContact CD2-CE2 4.28Å; F864-F886 AromaticContact CD2-CZ 3.92Å; F864-F886 HydrophobicContact CD2-CZ 3.92Å; F864-F886 HydrophobicContact CE2-CE1 4.39Å; F864-F886 HydrophobicContact CE2-CE2 4.38Å; F864-F886 HydrophobicContact CE2-CZ 4.11Å; I882-F886 HydrophobicContact CG1-CE2 4.33Å; I882-F886 HydrophobicContact CG1-CZ 4.49Å; I882-F886 HydrophobicContact CG2-CE2 4.22Å; I882-F886 HydrophobicContact CG2-CZ 3.93Å; F886-D890 HydrophobicContact CB-CB 4.23Å; F886-L891 HydrophobicContact CB-CD1 4.37Å; F886-L891 HydrophobicContact CB-CD2 3.73Å; F886-L891 HydrophobicContact CB-CG 3.7Å; F886-L891 HydrophobicContact CD1-CD2 4.27Å; F886-L891 HydrophobicContact CD2-CD2 3.83Å; F886-L891 HydrophobicContact CG-CD2 3.68Å; F886-L891 HydrophobicContact CG-CG 4.23Å; F886-H894 AromaticContact CD1-CD2 3.7Å; F886-H894 AromaticContact CD1-NE2 3.56Å; F886-H894 AromaticContact CE1-CD2 3.97Å; F886-H894 AromaticContact CE1-NE2 3.76Å; F886-W928 HydrophobicContact CE1-CE3 4.02Å; F886-W928 AromaticContact CE1-CH2 3.77Å; F886-W928 HydrophobicContact CE1-CH2 3.77Å; F886-W928 HydrophobicContact CE1-CZ2 4.33Å; F886-W928 AromaticContact CE1-CZ3 3.61Å; F886-W928 HydrophobicContact CE1-CZ3 3.61Å; F886-W928 HydrophobicContact CZ-CE3 4.03Å; F886-W928 AromaticContact CZ-CH2 3.97Å; F886-W928 HydrophobicContact CZ-CH2 3.97Å; F886-W928 AromaticContact CZ-CZ3 3.46Å; F886-W928 HydrophobicContact CZ-CZ3 3.46Å; F886-W928 VanDerWaalsContact CZ-CZ3 3.46Å; F886-F961 HydrophobicContact CD1-CB 3.88Å; F886-F961 AromaticContact CD1-CD1 3.62Å; F886-F961 HydrophobicContact CD1-CD1 3.62Å; F886-F961 HydrophobicContact CD1-CD2 4.09Å; F886-F961 HydrophobicContact CD1-CE1 4.09Å; F886-F961 AromaticContact CD1-CG 3.6Å; F886-F961 HydrophobicContact CD1-CG 3.6Å; F886-F961 HydrophobicContact CD2-CB 4.49Å; F886-F961 HydrophobicContact CE1-CB 3.51Å; F886-F961 AromaticContact CE1-CD1 3.91Å; F886-F961 HydrophobicContact CE1-CD1 3.91Å; F886-F961 AromaticContact CE1-CD2 3.53Å; F886-F961 HydrophobicContact CE1-CD2 3.53Å; F886-F961 HydrophobicContact CE1-CE1 4.48Å; F886-F961 HydrophobicContact CE1-CE2 4.15Å; F886-F961 AromaticContact CE1-CG 3.38Å; F886-F961 HydrophobicContact CE1-CG 3.38Å; F886-F961 HydrophobicContact CE2-CB 4.16Å; F886-F961 HydrophobicContact CG-CB 4.36Å; F886-F961 HydrophobicContact CG-CD1 4.34Å; F886-F961 HydrophobicContact CG-CG 4.44Å; F886-F961 HydrophobicContact CZ-CB 3.65Å; F886-F961 HydrophobicContact CZ-CD2 4.29Å; F886-F961 HydrophobicContact CZ-CG 4.05Å
887	K	87.6	Confident	91.9	Very high	140 Å²	140	55.5 Å²	55.5	61%	0.609	28%	0.28	S	S	*	.			trans	-79	166.4	157.2	-57.7	162.4	-173.4	162.9	0	109.9	E889 D890 L891	K887-E889 VanDerWaalsContact C-N 3.29Å; K887-E889 PolarHBondContact O-N 3.29Å; K887-D890 VanDerWaalsContact CB-OD2 3.28Å; K887-D890 WeakPolarHBondContact CB-OD2 3.42Å; K887-D890 WeakPolarHBondContact CG-OD2 3.34Å; K887-D890 PolarHBondContact N-OD2 3.39Å; K887-D890 PolarHBondContact O-N 3.37Å; K887-D890 VanDerWaalsContact O-N 3.14Å; K887-L891 PolarHBondContact O-N 2.79Å; K887-L891 VanDerWaalsContact O-N 3.14Å
888	D	83.1	Confident	91.8	Very high	119 Å²	119	54.5 Å²	54.5	64%	0.636	28%	0.275	S	S	*	.	H	α-helix	trans	-68.2	-29.8	177.6	-79	-15.1	0	0	0	111.7	E892	D888-E892 WeakPolarHBondContact O-CB 3.49Å; D888-E892 PolarHBondContact O-N 2.91Å
889	E	87.9	Confident	91.6	Very high	126 Å²	126	58.8 Å²	58.8	59%	0.589	29%	0.294	S	S	*	.	H	α-helix	trans	-64.5	-36.4	169.4	-65.2	80.1	-176.6	0	0	112.9	K887 Q893	K887-E889 VanDerWaalsContact C-N 3.29Å; K887-E889 PolarHBondContact O-N 3.29Å; E889-Q893 VanDerWaalsContact O-CG 3.32Å; E889-Q893 WeakPolarHBondContact O-CG 3.38Å; E889-Q893 PolarHBondContact O-N 3.47Å; E889-Q893 VanDerWaalsContact O-N 3.12Å; E889-Q893 PolarHBondContact O-NE2 3.46Å
890	D	87.8	Confident	91.6	Very high	35 Å²	35	66.8 Å²	66.8	19%	0.187	33%	0.331	C	S	.	.	H	α-helix	trans	-69.7	-45.8	-179.1	-53.4	-30.7	0	0	0	109.5	F886 K887 E892 Q893 H894	F886-D890 HydrophobicContact CB-CB 4.23Å; K887-D890 VanDerWaalsContact CB-OD2 3.28Å; K887-D890 WeakPolarHBondContact CB-OD2 3.42Å; K887-D890 WeakPolarHBondContact CG-OD2 3.34Å; K887-D890 PolarHBondContact N-OD2 3.39Å; K887-D890 PolarHBondContact O-N 3.37Å; K887-D890 VanDerWaalsContact O-N 3.14Å; D890-E892 VanDerWaalsContact C-N 3.29Å; D890-E892 PolarHBondContact O-N 3.09Å; D890-Q893 WeakPolarHBondContact O-CB 3.35Å; D890-Q893 PolarHBondContact O-N 3.03Å; D890-H894 VanDerWaalsContact C-CD2 3.48Å; D890-H894 PolarHBondContact O-CD2 2.69Å; D890-H894 PolarHBondContact O-N 3.3Å
891	L	89.1	Confident	91.6	Very high	5 Å²	5	69.3 Å²	69.3	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-57.8	-40.8	176	-67.8	171.5	0	0	0	112.7	R857 F864 F886 K887 Q893 Y895	R857-L891 VanDerWaalsContact CZ-CD1 3.45Å; R857-L891 VanDerWaalsContact NE-CD1 3.33Å; F864-L891 HydrophobicContact CE2-CD2 4Å; F864-L891 HydrophobicContact CZ-CD2 4.5Å; F886-L891 HydrophobicContact CB-CD1 4.37Å; F886-L891 HydrophobicContact CB-CD2 3.73Å; F886-L891 HydrophobicContact CB-CG 3.7Å; F886-L891 HydrophobicContact CD1-CD2 4.27Å; F886-L891 HydrophobicContact CD2-CD2 3.83Å; F886-L891 HydrophobicContact CG-CD2 3.68Å; F886-L891 HydrophobicContact CG-CG 4.23Å; K887-L891 PolarHBondContact O-N 2.79Å; K887-L891 VanDerWaalsContact O-N 3.14Å; L891-Q893 VanDerWaalsContact C-N 3.29Å; L891-Q893 PolarHBondContact O-N 3.17Å; L891-Y895 VanDerWaalsContact O-CB 3.27Å; L891-Y895 WeakPolarHBondContact O-CB 3.34Å; L891-Y895 PolarHBondContact O-N 3Å
892	E	89.8	Confident	91.6	Very high	88 Å²	88	68.6 Å²	68.6	41%	0.411	34%	0.343	S	S	.	.	H	α-helix	trans	-74.7	-17.1	178.4	176.1	58	-167	0	0	113.1	D888 D890 K896	D888-E892 WeakPolarHBondContact O-CB 3.49Å; D888-E892 PolarHBondContact O-N 2.91Å; D890-E892 VanDerWaalsContact C-N 3.29Å; D890-E892 PolarHBondContact O-N 3.09Å; E892-K896 VanDerWaalsContact CG-NZ 3.28Å; E892-K896 WeakPolarHBondContact O-CG 3.33Å; E892-K896 PolarHBondContact O-NZ 3.07Å; E892-K896 WeakPolarHBondContact OE1-CE 3.49Å; E892-K896 IonicContact OE1-NZ 2.69Å; E892-K896 PolarHBondContact OE1-NZ 2.99Å
893	Q	91.7	Very high	91.7	Very high	116 Å²	116	69.9 Å²	69.9	54%	0.542	35%	0.35	S	S	.	.	H	α-helix	trans	-83.9	-51.2	168	-74.3	167.9	90.4	0	0	111.1	E889 D890 L891 Y895 K896 F897	E889-Q893 VanDerWaalsContact O-CG 3.32Å; E889-Q893 WeakPolarHBondContact O-CG 3.38Å; E889-Q893 PolarHBondContact O-N 3.47Å; E889-Q893 VanDerWaalsContact O-N 3.12Å; E889-Q893 PolarHBondContact O-NE2 3.46Å; D890-Q893 WeakPolarHBondContact O-CB 3.35Å; D890-Q893 PolarHBondContact O-N 3.03Å; L891-Q893 VanDerWaalsContact C-N 3.29Å; L891-Q893 PolarHBondContact O-N 3.17Å; Q893-Y895 VanDerWaalsContact C-N 3.28Å; Q893-Y895 PolarHBondContact O-N 2.69Å; Q893-K896 PolarHBondContact O-N 2.66Å; Q893-K896 VanDerWaalsContact O-N 3.1Å; Q893-F897 PolarHBondContact O-N 2.9Å
894	H	93.9	Very high	91.8	Very high	5 Å²	5	74 Å²	74	2%	0.023	38%	0.382	C	S	.	.	H	α-helix	trans	-57	-40.6	176.2	-63.4	-58.7	0	0	0	111.8	F864 F886 D890 F897 L898 Q926 W928 F961	F864-H894 HydrophobicContact CZ-CB 4.12Å; F886-H894 AromaticContact CD1-CD2 3.7Å; F886-H894 AromaticContact CD1-NE2 3.56Å; F886-H894 AromaticContact CE1-CD2 3.97Å; F886-H894 AromaticContact CE1-NE2 3.76Å; D890-H894 VanDerWaalsContact C-CD2 3.48Å; D890-H894 PolarHBondContact O-CD2 2.69Å; D890-H894 PolarHBondContact O-N 3.3Å; H894-F897 PolarHBondContact O-N 3.41Å; H894-L898 HydrophobicContact CB-CD1 4.25Å; H894-L898 VanDerWaalsContact O-CB 3.25Å; H894-L898 WeakPolarHBondContact O-CB 3.32Å; H894-L898 VanDerWaalsContact O-CG 3.29Å; H894-L898 WeakPolarHBondContact O-CG 3.37Å; H894-L898 PolarHBondContact O-N 3.27Å; H894-Q926 PolarHBondContact ND1-OE1 3.45Å; H894-W928 HydrophobicContact CB-CZ2 4.32Å; H894-W928 AromaticContact CE1-CE2 3.63Å; H894-W928 AromaticContact CE1-CZ2 3.55Å; H894-W928 AromaticContact CE1-NE1 3.57Å; H894-W928 AromaticContact CG-CZ2 3.73Å; H894-W928 AromaticContact ND1-CE2 3.8Å; H894-W928 AromaticContact ND1-CZ2 3.36Å; H894-W928 WeakPolarHBondContact ND1-CZ2 3.48Å; H894-W928 AromaticContact ND1-NE1 3.81Å; H894-F961 AromaticContact CE1-CE2 3.84Å; H894-F961 AromaticContact CE1-CZ 3.78Å; H894-F961 AromaticContact NE2-CE2 3.81Å; H894-F961 AromaticContact NE2-CZ 3.55Å
895	Y	93.4	Very high	92	Very high	48 Å²	48	78.1 Å²	78.1	19%	0.188	39%	0.393	C	S	.	.	H	α-helix	trans	-62.1	-42.9	175.3	174.5	-102.4	0	0	0	112.7	T860 Y861 L891 Q893 K899	T860-Y895 VanDerWaalsContact OG1-CB 3.25Å; T860-Y895 WeakPolarHBondContact OG1-CB 3.37Å; Y861-Y895 HydrophobicContact CD1-CD2 4.34Å; Y861-Y895 AromaticContact CD2-CD2 3.61Å; Y861-Y895 HydrophobicContact CD2-CD2 3.61Å; Y861-Y895 HydrophobicContact CD2-CG 4.38Å; Y861-Y895 HydrophobicContact CE1-CD2 4.33Å; Y861-Y895 HydrophobicContact CE1-CE2 4.38Å; Y861-Y895 AromaticContact CE2-CD2 3.59Å; Y861-Y895 HydrophobicContact CE2-CD2 3.59Å; Y861-Y895 HydrophobicContact CE2-CE2 4.23Å; Y861-Y895 HydrophobicContact CE2-CG 4.47Å; Y861-Y895 AromaticContact CG-CD2 3.99Å; Y861-Y895 HydrophobicContact CG-CD2 3.99Å; Y861-Y895 AromaticContact CZ-CD2 3.96Å; L891-Y895 VanDerWaalsContact O-CB 3.27Å; L891-Y895 WeakPolarHBondContact O-CB 3.34Å; L891-Y895 PolarHBondContact O-N 3Å; Q893-Y895 VanDerWaalsContact C-N 3.28Å; Q893-Y895 PolarHBondContact O-N 2.69Å; Y895-K899 HydrophobicContact CE1-CD 4.1Å; Y895-K899 HydrophobicContact CE2-CD 4.42Å; Y895-K899 WeakPolarHBondContact O-CB 3.34Å; Y895-K899 PolarHBondContact O-N 2.93Å; Y895-K899 PolarHBondContact OH-NZ 3.46Å
896	K	94.1	Very high	92.4	Very high	111 Å²	111	78.6 Å²	78.6	48%	0.483	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-48.7	177.3	-75.1	-174.4	-166.2	79.2	0	111.7	E892 Q893	E892-K896 VanDerWaalsContact CG-NZ 3.28Å; E892-K896 WeakPolarHBondContact O-CG 3.33Å; E892-K896 PolarHBondContact O-NZ 3.07Å; E892-K896 WeakPolarHBondContact OE1-CE 3.49Å; E892-K896 IonicContact OE1-NZ 2.69Å; E892-K896 PolarHBondContact OE1-NZ 2.99Å; Q893-K896 PolarHBondContact O-N 2.66Å; Q893-K896 VanDerWaalsContact O-N 3.1Å
897	F	95.3	Very high	92.7	Very high	79 Å²	79	82 Å²	82	35%	0.346	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-59.1	-178	178.4	-102.2	0	0	0	111.6	Q893 H894 K899 E900 H901 V925 Q926	Q893-F897 PolarHBondContact O-N 2.9Å; H894-F897 PolarHBondContact O-N 3.41Å; F897-K899 PolarHBondContact O-N 3.17Å; F897-K899 VanDerWaalsContact O-N 3.13Å; F897-E900 PolarHBondContact O-N 3.38Å; F897-H901 AromaticContact CE2-NE2 3.76Å; F897-H901 AromaticContact CZ-CD2 3.99Å; F897-H901 AromaticContact CZ-NE2 3.64Å; F897-H901 PolarHBondContact O-CD2 3.47Å; F897-V925 HydrophobicContact CE1-CG2 3.9Å; F897-V925 HydrophobicContact CZ-CG2 4.15Å; F897-Q926 HydrophobicContact CE1-CB 4.07Å
898	L	95.9	Very high	93.1	Very high	0 Å²	0	80.4 Å²	80.4	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-65.5	-22.9	-173.9	-62.2	170.6	0	0	0	113	V847 Y861 F864 H894 E900 H901 L922 W928	V847-L898 HydrophobicContact CG1-CD1 4.05Å; V847-L898 HydrophobicContact CG1-CD2 4.43Å; Y861-L898 HydrophobicContact CE2-CB 4.24Å; F864-L898 HydrophobicContact CD1-CD1 3.98Å; F864-L898 HydrophobicContact CE1-CD1 3.64Å; H894-L898 HydrophobicContact CB-CD1 4.25Å; H894-L898 VanDerWaalsContact O-CB 3.25Å; H894-L898 WeakPolarHBondContact O-CB 3.32Å; H894-L898 VanDerWaalsContact O-CG 3.29Å; H894-L898 WeakPolarHBondContact O-CG 3.37Å; H894-L898 PolarHBondContact O-N 3.27Å; L898-E900 PolarHBondContact O-N 3.33Å; L898-H901 CarbonylContact O-C 3.47Å; L898-H901 WeakPolarHBondContact O-CA 3.44Å; L898-H901 PolarHBondContact O-N 2.98Å; L898-L922 HydrophobicContact CB-CD1 3.9Å; L898-L922 HydrophobicContact CB-CD2 4.14Å; L898-L922 HydrophobicContact CD1-CD1 3.93Å; L898-L922 HydrophobicContact CD2-CD1 4.26Å; L898-L922 HydrophobicContact CG-CD1 4.24Å; L898-L922 VanDerWaalsContact O-CD2 3.32Å; L898-L922 WeakPolarHBondContact O-CD2 3.39Å; L898-W928 HydrophobicContact CD1-CZ2 4.24Å
899	K	94.4	Very high	93.7	Very high	90 Å²	90	78.7 Å²	78.7	39%	0.391	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-63.2	-25	173.5	178.2	174.8	-175.6	172.1	0	113.7	Y895 F897 H901 I902	Y895-K899 HydrophobicContact CE1-CD 4.1Å; Y895-K899 HydrophobicContact CE2-CD 4.42Å; Y895-K899 WeakPolarHBondContact O-CB 3.34Å; Y895-K899 PolarHBondContact O-N 2.93Å; Y895-K899 PolarHBondContact OH-NZ 3.46Å; F897-K899 PolarHBondContact O-N 3.17Å; F897-K899 VanDerWaalsContact O-N 3.13Å; K899-H901 VanDerWaalsContact C-N 3.26Å; K899-I902 HydrophobicContact CB-CD1 4.47Å; K899-I902 HydrophobicContact CG-CD1 4.14Å; K899-I902 WeakPolarHBondContact O-CD1 3.28Å; K899-I902 WeakPolarHBondContact O-CG1 3.34Å
900	E	95.8	Very high	94.1	Very high	168 Å²	168	73.3 Å²	73.3	79%	0.785	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-80.3	-11.5	174.5	-58.8	-171.1	172	0	0	112.1	F897 L898	F897-E900 PolarHBondContact O-N 3.38Å; L898-E900 PolarHBondContact O-N 3.33Å
901	H	96.3	Very high	94.5	Very high	55 Å²	55	76.9 Å²	76.9	26%	0.255	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-113	26.6	-178.2	-62.1	-78.1	0	0	0	113.5	F897 L898 K899 L922 D923 V925	F897-H901 AromaticContact CE2-NE2 3.76Å; F897-H901 AromaticContact CZ-CD2 3.99Å; F897-H901 AromaticContact CZ-NE2 3.64Å; F897-H901 PolarHBondContact O-CD2 3.47Å; L898-H901 CarbonylContact O-C 3.47Å; L898-H901 WeakPolarHBondContact O-CA 3.44Å; L898-H901 PolarHBondContact O-N 2.98Å; K899-H901 VanDerWaalsContact C-N 3.26Å; H901-L922 WeakPolarHBondContact O-CA 3.39Å; H901-D923 HydrophobicContact CB-CB 4.26Å; H901-D923 PolarHBondContact O-N 3.33Å; H901-V925 HydrophobicContact CB-CG2 4.13Å
902	I	96.9	Very high	94.8	Very high	84 Å²	84	78.2 Å²	78.2	43%	0.431	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.8	179	-65	173.9	0	0	0	111.3	K899 V920 L922	K899-I902 HydrophobicContact CB-CD1 4.47Å; K899-I902 HydrophobicContact CG-CD1 4.14Å; K899-I902 WeakPolarHBondContact O-CD1 3.28Å; K899-I902 WeakPolarHBondContact O-CG1 3.34Å; I902-V920 HydrophobicContact CB-CG1 4.33Å; I902-V920 HydrophobicContact CD1-CG1 4.06Å; I902-V920 HydrophobicContact CG1-CG1 3.78Å; I902-V920 HydrophobicContact CG2-CG1 3.79Å; I902-L922 HydrophobicContact CG1-CD2 4.02Å
903	L	95.6	Very high	95	Very high	31 Å²	31	76.2 Å²	76.2	16%	0.162	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144.2	171.3	-59.2	179.5	0	0	0	111.4	K905 R907 Y910 W921 D923	L903-K905 VanDerWaalsContact C-N 3.31Å; L903-K905 VanDerWaalsContact CB-O 3.31Å; L903-K905 WeakPolarHBondContact CB-O 3.46Å; L903-R907 HydrophobicContact CD1-CG 3.78Å; L903-Y910 HydrophobicContact CD1-CE2 4.36Å; L903-W921 HydrophobicContact CB-CB 4.11Å; L903-W921 PolarHBondContact N-O 3.33Å; L903-D923 HydrophobicContact CD1-CB 4.2Å; L903-D923 HydrophobicContact CD2-CB 4.02Å; L903-D923 HydrophobicContact CG-CB 4.05Å
904	A	93.8	Very high	94.9	Very high	107 Å²	107	78.7 Å²	78.7	88%	0.884	39%	0.386	S	S	*	.	S	Bend	trans	-78.2	-14.6	175.9	0	0	0	0	0	113.9
905	K	93.6	Very high	94.7	Very high	167 Å²	167	82.5 Å²	82.5	73%	0.726	41%	0.414	S	S	*	.	S	Bend	trans	-155.1	156.4	179	-70.9	-166.7	178.2	-173.5	0	108.6	L903	L903-K905 VanDerWaalsContact C-N 3.31Å; L903-K905 VanDerWaalsContact CB-O 3.31Å; L903-K905 WeakPolarHBondContact CB-O 3.46Å
906	P	95.7	Very high	94.6	Very high	58 Å²	58	80.5 Å²	80.5	38%	0.377	41%	0.407	S	S	.	.			trans	-60.2	155.2	172.4	25	-33.4	0	0	0	112	Y910 W921	P906-Y910 HydrophobicContact CB-CD2 4.07Å; P906-W921 HydrophobicContact CB-CD2 3.78Å; P906-W921 HydrophobicContact CB-CE3 3.78Å; P906-W921 HydrophobicContact CB-CG 4.46Å; P906-W921 HydrophobicContact CB-CH2 3.89Å; P906-W921 HydrophobicContact CB-CZ2 3.9Å; P906-W921 HydrophobicContact CB-CZ3 3.84Å; P906-W921 HydrophobicContact CG-CD2 4.32Å; P906-W921 HydrophobicContact CG-CH2 4.4Å; P906-W921 HydrophobicContact CG-CZ2 3.97Å
907	R	95.4	Very high	94.6	Very high	89 Å²	89	79.9 Å²	79.9	34%	0.336	41%	0.406	S	S	.	.			trans	-68.1	146.6	166.4	-60.9	-66.2	-168.9	173.8	3.7	109.5	L903 Y909 Y910 D923	L903-R907 HydrophobicContact CD1-CG 3.78Å; R907-Y909 HydrophobicContact CB-CD1 4.23Å; R907-Y909 HydrophobicContact CB-CD2 3.78Å; R907-Y909 HydrophobicContact CB-CE1 3.94Å; R907-Y909 HydrophobicContact CB-CE2 3.45Å; R907-Y909 VanDerWaalsContact CB-CE2 3.45Å; R907-Y909 HydrophobicContact CB-CG 4.17Å; R907-Y909 HydrophobicContact CG-CE1 4.33Å; R907-Y909 HydrophobicContact CG-CE2 3.71Å; R907-Y909 PolarHBondContact O-N 3.36Å; R907-Y910 HydrophobicContact CB-CD1 3.87Å; R907-Y910 HydrophobicContact CB-CD2 4Å; R907-Y910 HydrophobicContact CB-CE1 3.87Å; R907-Y910 HydrophobicContact CB-CE2 3.95Å; R907-Y910 HydrophobicContact CB-CG 3.95Å; R907-Y910 HydrophobicContact CG-CD1 4.43Å; R907-Y910 HydrophobicContact CG-CD2 4.33Å; R907-Y910 HydrophobicContact CG-CE1 3.92Å; R907-Y910 HydrophobicContact CG-CE2 3.76Å; R907-Y910 WeakPolarHBondContact O-CB 3.37Å; R907-Y910 PolarHBondContact O-N 3Å; R907-D923 IonicContact CZ-OD1 2.91Å; R907-D923 IonicContact CZ-OD2 3.25Å; R907-D923 IonicContact NE-OD1 2.66Å; R907-D923 PolarHBondContact NE-OD1 2.84Å; R907-D923 IonicContact NH2-OD1 3.29Å; R907-D923 PolarHBondContact NH2-OD1 2.85Å; R907-D923 IonicContact NH2-OD2 2.79Å; R907-D923 PolarHBondContact NH2-OD2 3.22Å
908	P	95.4	Very high	94.6	Very high	108 Å²	108	76.5 Å²	76.5	70%	0.701	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.5	-179.7	-25.6	35.5	0	0	0	114.6	Y910 R911	P908-Y910 VanDerWaalsContact C-N 3.31Å; P908-R911 PolarHBondContact O-NH1 3.03Å
909	Y	95.6	Very high	94.5	Very high	83 Å²	83	79.9 Å²	79.9	33%	0.325	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	13.1	177.1	52.4	-109.3	0	0	0	113.7	E875 F876 R907	E875-Y909 WeakPolarHBondContact CA-O 3.32Å; E875-Y909 WeakPolarHBondContact CB-O 3.49Å; F876-Y909 AromaticContact CD2-CD2 3.97Å; F876-Y909 HydrophobicContact CD2-CD2 3.97Å; F876-Y909 HydrophobicContact CD2-CE2 4.07Å; F876-Y909 HydrophobicContact CE2-CE2 4.38Å; F876-Y909 PolarHBondContact N-O 3.26Å; R907-Y909 HydrophobicContact CB-CD1 4.23Å; R907-Y909 HydrophobicContact CB-CD2 3.78Å; R907-Y909 HydrophobicContact CB-CE1 3.94Å; R907-Y909 HydrophobicContact CB-CE2 3.45Å; R907-Y909 VanDerWaalsContact CB-CE2 3.45Å; R907-Y909 HydrophobicContact CB-CG 4.17Å; R907-Y909 HydrophobicContact CG-CE1 4.33Å; R907-Y909 HydrophobicContact CG-CE2 3.71Å; R907-Y909 PolarHBondContact O-N 3.36Å
910	Y	97.3	Very high	94.5	Very high	13 Å²	13	76.7 Å²	76.7	5%	0.051	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121.8	170.6	-69.6	-7.9	0	0	0	110.4	I848 F876 L903 P906 R907 P908 W921 L922 A924	I848-Y910 HydrophobicContact CB-CD2 4.39Å; I848-Y910 HydrophobicContact CB-CE1 4.43Å; I848-Y910 HydrophobicContact CB-CE2 4.04Å; I848-Y910 HydrophobicContact CG2-CD1 4.42Å; I848-Y910 HydrophobicContact CG2-CE1 3.89Å; I848-Y910 HydrophobicContact CG2-CE2 4.36Å; F876-Y910 HydrophobicContact CB-CD1 3.84Å; F876-Y910 HydrophobicContact CB-CE1 4.11Å; F876-Y910 HydrophobicContact CD2-CD1 4.26Å; F876-Y910 AromaticContact CD2-CE1 3.92Å; F876-Y910 HydrophobicContact CD2-CE1 3.92Å; F876-Y910 HydrophobicContact CG-CD1 4.44Å; F876-Y910 HydrophobicContact CG-CE1 4.27Å; L903-Y910 HydrophobicContact CD1-CE2 4.36Å; P906-Y910 HydrophobicContact CB-CD2 4.07Å; R907-Y910 HydrophobicContact CB-CD1 3.87Å; R907-Y910 HydrophobicContact CB-CD2 4Å; R907-Y910 HydrophobicContact CB-CE1 3.87Å; R907-Y910 HydrophobicContact CB-CE2 3.95Å; R907-Y910 HydrophobicContact CB-CG 3.95Å; R907-Y910 HydrophobicContact CG-CD1 4.43Å; R907-Y910 HydrophobicContact CG-CD2 4.33Å; R907-Y910 HydrophobicContact CG-CE1 3.92Å; R907-Y910 HydrophobicContact CG-CE2 3.76Å; R907-Y910 WeakPolarHBondContact O-CB 3.37Å; R907-Y910 PolarHBondContact O-N 3Å; P908-Y910 VanDerWaalsContact C-N 3.31Å; Y910-W921 HydrophobicContact CD2-CE3 4.12Å; Y910-W921 HydrophobicContact CD2-CZ3 4.06Å; Y910-L922 PolarHBondContact OH-O 3.4Å; Y910-A924 HydrophobicContact CE1-CB 4.3Å; Y910-A924 WeakPolarHBondContact OH-CB 3.32Å; Y910-A924 PolarHBondContact OH-N 3.29Å
911	R	96.4	Very high	94.6	Very high	110 Å²	110	70 Å²	70	42%	0.415	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	92.2	175.8	-61.5	-57.1	-178.6	-133.3	3.6	110.7	E875 F876 Q877 S878 P908 K942	E875-R911 HydrophobicContact CB-CG 4.41Å; E875-R911 VanDerWaalsContact CD-NE 3.33Å; E875-R911 IonicContact OE1-CZ 3.49Å; E875-R911 IonicContact OE1-NE 3.03Å; E875-R911 PolarHBondContact OE1-NE 2.85Å; E875-R911 IonicContact OE1-NH1 2.81Å; E875-R911 IonicContact OE1-NH2 3.37Å; E875-R911 PolarHBondContact OE1-NH2 3.41Å; E875-R911 WeakPolarHBondContact OE2-CD 3.18Å; E875-R911 WeakPolarHBondContact OE2-CG 3.25Å; E875-R911 IonicContact OE2-CZ 3.8Å; E875-R911 IonicContact OE2-NE 3.09Å; E875-R911 PolarHBondContact OE2-NE 3.13Å; E875-R911 IonicContact OE2-NH2 3.97Å; E875-R911 PolarHBondContact OE2-NH2 3.26Å; F876-R911 PolarHBondContact O-N 3.47Å; Q877-R911 HydrophobicContact CG-CB 4.35Å; S878-R911 WeakPolarHBondContact CB-O 3.46Å; S878-R911 PolarHBondContact N-O 2.92Å; S878-R911 PolarHBondContact OG-O 3.44Å; P908-R911 PolarHBondContact O-NH1 3.03Å; R911-K942 HydrophobicContact CB-CB 4.28Å
912	V	95.1	Very high	94.7	Very high	33 Å²	33	67.3 Å²	67.3	20%	0.2	35%	0.353	C	S	.	.			trans	-127.9	136.6	-176.9	-169.6	0	0	0	0	109.5	I848 L865 A916 W921	I848-V912 HydrophobicContact CD1-CG2 3.67Å; L865-V912 HydrophobicContact CD2-CG1 3.64Å; L865-V912 HydrophobicContact CD2-CG2 4.07Å; V912-A916 HydrophobicContact CG1-CB 4.2Å; V912-W921 HydrophobicContact CB-CH2 3.89Å; V912-W921 HydrophobicContact CB-CZ3 4.48Å; V912-W921 HydrophobicContact CG1-CH2 4.05Å; V912-W921 HydrophobicContact CG2-CH2 3.8Å; V912-W921 HydrophobicContact CG2-CZ3 3.89Å
913	D	93.2	Very high	94.7	Very high	45 Å²	45	65 Å²	65	24%	0.241	34%	0.341	C	S	.	.			trans	-74.8	144.7	172.3	-164.9	-86.5	0	0	0	111.7	S915 A916 E917 V940 K942	D913-S915 PolarHBondContact O-N 3.45Å; D913-S915 VanDerWaalsContact OD1-CB 3.29Å; D913-S915 WeakPolarHBondContact OD1-CB 3.24Å; D913-S915 PolarHBondContact OD1-N 2.84Å; D913-S915 PolarHBondContact OD1-OG 2.68Å; D913-A916 CarbonylContact O-C 3.59Å; D913-A916 WeakPolarHBondContact O-CA 3.48Å; D913-A916 PolarHBondContact O-N 2.83Å; D913-E917 PolarHBondContact O-N 3.47Å; D913-V940 HydrophobicContact CB-CG1 4.15Å; D913-V940 VanDerWaalsContact CB-O 3.29Å; D913-V940 WeakPolarHBondContact CB-O 3.29Å; D913-K942 WeakPolarHBondContact OD2-CE 3.34Å; D913-K942 IonicContact OD2-NZ 3.21Å; D913-K942 PolarHBondContact OD2-NZ 3.19Å
914	Q	90.3	Very high	94.8	Very high	168 Å²	168	64.3 Å²	64.3	79%	0.785	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-61.2	-27.7	178.9	-168.9	172.4	38.7	0	0	112.8	A916 E917	Q914-A916 PolarHBondContact O-N 2.83Å; Q914-E917 PolarHBondContact O-N 3.07Å
915	S	89.3	Confident	94.9	Very high	86 Å²	86	61.7 Å²	61.7	60%	0.601	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-70.9	-14.2	173.5	65.9	0	0	0	0	114.1	D913	D913-S915 PolarHBondContact O-N 3.45Å; D913-S915 VanDerWaalsContact OD1-CB 3.29Å; D913-S915 WeakPolarHBondContact OD1-CB 3.24Å; D913-S915 PolarHBondContact OD1-N 2.84Å; D913-S915 PolarHBondContact OD1-OG 2.68Å
916	A	91.4	Very high	95	Very high	5 Å²	5	54.6 Å²	54.6	4%	0.041	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-110.5	10.4	177.2	0	0	0	0	0	113.6	Y851 V912 D913 Q914 V940 Y941	Y851-A916 PolarHBondContact OH-O 2.96Å; V912-A916 HydrophobicContact CG1-CB 4.2Å; D913-A916 CarbonylContact O-C 3.59Å; D913-A916 WeakPolarHBondContact O-CA 3.48Å; D913-A916 PolarHBondContact O-N 2.83Å; Q914-A916 PolarHBondContact O-N 2.83Å; A916-V940 HydrophobicContact CB-CG1 3.78Å; A916-Y941 HydrophobicContact CB-CE1 4.22Å
917	E	93.8	Very high	95.1	Very high	99 Å²	99	51.9 Å²	51.9	46%	0.463	27%	0.265	S	S	.	.			trans	-58.2	128.1	-179.4	177.6	160.1	-150.3	0	0	111.7	Y851 D913 Q914 W921	Y851-E917 WeakPolarHBondContact CE1-O 3.25Å; D913-E917 PolarHBondContact O-N 3.47Å; Q914-E917 PolarHBondContact O-N 3.07Å; E917-W921 HydrophobicContact CG-CZ2 3.85Å; E917-W921 PolarHBondContact OE1-NE1 2.88Å; E917-W921 VanDerWaalsContact OE1-NE1 3.11Å
918	P	95.3	Very high	95.3	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.052	25%	0.249	C	C	.	.			trans	-73.7	155.6	178	31.4	-36.6	0	0	0	112.6	A850 Y851 L865 V920 W921	A850-P918 WeakPolarHBondContact O-CB 3.23Å; Y851-P918 HydrophobicContact CE1-CB 4.36Å; L865-P918 HydrophobicContact CD2-CG 4.34Å; P918-V920 PolarHBondContact O-N 2.92Å; P918-W921 HydrophobicContact CG-CD2 3.66Å; P918-W921 HydrophobicContact CG-CE3 3.67Å; P918-W921 HydrophobicContact CG-CG 4.24Å; P918-W921 HydrophobicContact CG-CH2 4.15Å; P918-W921 HydrophobicContact CG-CZ2 4.13Å; P918-W921 HydrophobicContact CG-CZ3 3.92Å
919	D	93.4	Very high	95.3	Very high	70 Å²	70	44 Å²	44	37%	0.374	22%	0.222	S	C	.	.	S	Bend	trans	-63.8	-28.2	169.7	-68	-88.8	0	0	0	111.8	Q460 A850 Y851 L852	Q460-D919 PolarHBondContact NE2-OD1 2.93Å; A850-D919 PolarHBondContact O-N 3.01Å; A850-D919 VanDerWaalsContact O-N 3.14Å; Y851-D919 VanDerWaalsContact CA-OD2 3.24Å; Y851-D919 WeakPolarHBondContact CA-OD2 3.42Å; L852-D919 HydrophobicContact CB-CB 4.29Å; L852-D919 HydrophobicContact CD1-CB 4.03Å; L852-D919 HydrophobicContact CG-CB 3.71Å; L852-D919 PolarHBondContact N-OD2 3.43Å
920	V	95.5	Very high	95.3	Very high	23 Å²	23	40 Å²	40	14%	0.139	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	118.6	-178.2	-178.6	0	0	0	0	109.2	G849 A850 L852 Y861 I902 P918 L922	G849-V920 CarbonylContact C-O 3.52Å; G849-V920 WeakPolarHBondContact CA-O 3.14Å; A850-V920 PolarHBondContact N-O 3.22Å; A850-V920 PolarHBondContact O-N 3.44Å; L852-V920 HydrophobicContact CD2-CG2 4.36Å; Y861-V920 HydrophobicContact CE1-CB 4.28Å; Y861-V920 HydrophobicContact CE1-CG2 4.05Å; I902-V920 HydrophobicContact CB-CG1 4.33Å; I902-V920 HydrophobicContact CD1-CG1 4.06Å; I902-V920 HydrophobicContact CG1-CG1 3.78Å; I902-V920 HydrophobicContact CG2-CG1 3.79Å; P918-V920 PolarHBondContact O-N 2.92Å; V920-L922 HydrophobicContact CG1-CD2 4.09Å
921	W	97.9	Very high	95	Very high	27 Å²	27	40.7 Å²	40.7	10%	0.102	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	137.1	169.9	-70.8	103	0	0	0	110.1	L903 P906 Y910 V912 E917 P918	L903-W921 HydrophobicContact CB-CB 4.11Å; L903-W921 PolarHBondContact N-O 3.33Å; P906-W921 HydrophobicContact CB-CD2 3.78Å; P906-W921 HydrophobicContact CB-CE3 3.78Å; P906-W921 HydrophobicContact CB-CG 4.46Å; P906-W921 HydrophobicContact CB-CH2 3.89Å; P906-W921 HydrophobicContact CB-CZ2 3.9Å; P906-W921 HydrophobicContact CB-CZ3 3.84Å; P906-W921 HydrophobicContact CG-CD2 4.32Å; P906-W921 HydrophobicContact CG-CH2 4.4Å; P906-W921 HydrophobicContact CG-CZ2 3.97Å; Y910-W921 HydrophobicContact CD2-CE3 4.12Å; Y910-W921 HydrophobicContact CD2-CZ3 4.06Å; V912-W921 HydrophobicContact CB-CH2 3.89Å; V912-W921 HydrophobicContact CB-CZ3 4.48Å; V912-W921 HydrophobicContact CG1-CH2 4.05Å; V912-W921 HydrophobicContact CG2-CH2 3.8Å; V912-W921 HydrophobicContact CG2-CZ3 3.89Å; E917-W921 HydrophobicContact CG-CZ2 3.85Å; E917-W921 PolarHBondContact OE1-NE1 2.88Å; E917-W921 VanDerWaalsContact OE1-NE1 3.11Å; P918-W921 HydrophobicContact CG-CD2 3.66Å; P918-W921 HydrophobicContact CG-CE3 3.67Å; P918-W921 HydrophobicContact CG-CG 4.24Å; P918-W921 HydrophobicContact CG-CH2 4.15Å; P918-W921 HydrophobicContact CG-CZ2 4.13Å; P918-W921 HydrophobicContact CG-CZ3 3.92Å
922	L	97.9	Very high	94.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.9	-179.3	-64.2	176.8	0	0	0	109.9	V847 I848 A850 L898 H901 I902 Y910 V920	V847-L922 HydrophobicContact CG1-CD1 3.91Å; I848-L922 PolarHBondContact O-N 2.99Å; I848-L922 VanDerWaalsContact O-N 3.16Å; A850-L922 HydrophobicContact CB-CD1 3.85Å; A850-L922 HydrophobicContact CB-CG 4.46Å; L898-L922 HydrophobicContact CB-CD1 3.9Å; L898-L922 HydrophobicContact CB-CD2 4.14Å; L898-L922 HydrophobicContact CD1-CD1 3.93Å; L898-L922 HydrophobicContact CD2-CD1 4.26Å; L898-L922 HydrophobicContact CG-CD1 4.24Å; L898-L922 VanDerWaalsContact O-CD2 3.32Å; L898-L922 WeakPolarHBondContact O-CD2 3.39Å; H901-L922 WeakPolarHBondContact O-CA 3.39Å; I902-L922 HydrophobicContact CG1-CD2 4.02Å; Y910-L922 PolarHBondContact OH-O 3.4Å; V920-L922 HydrophobicContact CG1-CD2 4.09Å
923	D	97.2	Very high	94.1	Very high	35 Å²	35	35 Å²	35	19%	0.187	19%	0.19	C	C	.	.			trans	-78.5	144.6	173.1	-145.9	13.3	0	0	0	110.8	H901 L903 R907 V925	H901-D923 HydrophobicContact CB-CB 4.26Å; H901-D923 PolarHBondContact O-N 3.33Å; L903-D923 HydrophobicContact CD1-CB 4.2Å; L903-D923 HydrophobicContact CD2-CB 4.02Å; L903-D923 HydrophobicContact CG-CB 4.05Å; R907-D923 IonicContact CZ-OD1 2.91Å; R907-D923 IonicContact CZ-OD2 3.25Å; R907-D923 IonicContact NE-OD1 2.66Å; R907-D923 PolarHBondContact NE-OD1 2.84Å; R907-D923 IonicContact NH2-OD1 3.29Å; R907-D923 PolarHBondContact NH2-OD1 2.85Å; R907-D923 IonicContact NH2-OD2 2.79Å; R907-D923 PolarHBondContact NH2-OD2 3.22Å; D923-V925 HydrophobicContact CB-CG1 4.21Å; D923-V925 PolarHBondContact O-N 2.98Å
924	A	96.3	Very high	93.7	Very high	17 Å²	17	34.6 Å²	34.6	14%	0.14	19%	0.187	C	C	.	.	S	Bend	trans	-74.9	94.1	-177.6	0	0	0	0	0	109	F876 Y910 P970	F876-A924 HydrophobicContact CD2-CB 4.42Å; F876-A924 HydrophobicContact CE2-CB 4.11Å; F876-A924 HydrophobicContact CZ-CB 4.3Å; Y910-A924 HydrophobicContact CE1-CB 4.3Å; Y910-A924 WeakPolarHBondContact OH-CB 3.32Å; Y910-A924 PolarHBondContact OH-N 3.29Å; A924-P970 HydrophobicContact CB-CB 4.24Å; A924-P970 HydrophobicContact CB-CG 4.38Å; A924-P970 WeakPolarHBondContact O-CG 3.42Å
925	V	96.6	Very high	93.8	Very high	52 Å²	52	26.9 Å²	26.9	32%	0.315	15%	0.151	S	C	.	.			trans	-135.6	-7.1	-174.9	-60.8	0	0	0	0	114.8	F897 H901 D923	F897-V925 HydrophobicContact CE1-CG2 3.9Å; F897-V925 HydrophobicContact CZ-CG2 4.15Å; H901-V925 HydrophobicContact CB-CG2 4.13Å; D923-V925 HydrophobicContact CB-CG1 4.21Å; D923-V925 PolarHBondContact O-N 2.98Å
926	Q	96.7	Very high	93.8	Very high	18 Å²	18	23.9 Å²	23.9	8%	0.084	13%	0.131	C	C	.	.			trans	-142.6	133.7	-176.6	-173.4	164.7	93.3	0	0	110.9	C846 V847 H894 F897 I964	C846-Q926 WeakPolarHBondContact CA-O 3.18Å; C846-Q926 PolarHBondContact SG-O 3.42Å; V847-Q926 PolarHBondContact N-O 3.28Å; H894-Q926 PolarHBondContact ND1-OE1 3.45Å; F897-Q926 HydrophobicContact CE1-CB 4.07Å; Q926-I964 HydrophobicContact CG-CG2 3.73Å
927	V	98.1	Very high	93.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.2	175.7	178.2	0	0	0	0	109.3	D844 L845 C846 R965 K968 K969 A973	D844-V927 HydrophobicContact CB-CG1 3.76Å; L845-V927 WeakPolarHBondContact O-CA 3.4Å; C846-V927 HydrophobicContact CB-CG2 4.29Å; V927-R965 HydrophobicContact CB-CB 4.18Å; V927-R965 HydrophobicContact CG1-CB 4.1Å; V927-R965 HydrophobicContact CG1-CG 4.25Å; V927-R965 PolarHBondContact O-N 3.38Å; V927-K968 HydrophobicContact CB-CB 4.42Å; V927-K968 HydrophobicContact CG1-CB 4.48Å; V927-K969 WeakPolarHBondContact CG2-O 3.44Å; V927-A973 HydrophobicContact CG2-CB 4.48Å
928	W	97.9	Very high	93.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	139.2	178.1	-67.4	-12.6	0	0	0	110.9	D844 L845 V847 F864 L866 I882 F886 H894 L898 V930 F961 R963	D844-W928 CarbonylContact C-O 3.56Å; D844-W928 WeakPolarHBondContact CA-O 3.32Å; L845-W928 PolarHBondContact N-O 3.39Å; L845-W928 PolarHBondContact O-N 3.1Å; V847-W928 HydrophobicContact CG2-CD2 3.58Å; V847-W928 VanDerWaalsContact CG2-CE2 3.48Å; V847-W928 HydrophobicContact CG2-CE3 3.84Å; V847-W928 HydrophobicContact CG2-CG 4.14Å; V847-W928 HydrophobicContact CG2-CH2 3.93Å; V847-W928 HydrophobicContact CG2-CZ2 3.67Å; V847-W928 HydrophobicContact CG2-CZ3 3.99Å; F864-W928 HydrophobicContact CB-CH2 4.06Å; F864-W928 HydrophobicContact CB-CZ3 3.85Å; F864-W928 AromaticContact CD1-CH2 3.8Å; F864-W928 HydrophobicContact CD1-CH2 3.8Å; F864-W928 HydrophobicContact CD1-CZ3 4.45Å; F864-W928 AromaticContact CD2-CH2 3.43Å; F864-W928 HydrophobicContact CD2-CH2 3.43Å; F864-W928 VanDerWaalsContact CD2-CH2 3.43Å; F864-W928 AromaticContact CD2-CZ3 3.62Å; F864-W928 HydrophobicContact CD2-CZ3 3.62Å; F864-W928 HydrophobicContact CE1-CH2 4.07Å; F864-W928 AromaticContact CE2-CH2 3.73Å; F864-W928 HydrophobicContact CE2-CH2 3.73Å; F864-W928 HydrophobicContact CE2-CZ3 4.3Å; F864-W928 AromaticContact CG-CH2 3.47Å; F864-W928 HydrophobicContact CG-CH2 3.47Å; F864-W928 VanDerWaalsContact CG-CH2 3.47Å; F864-W928 AromaticContact CG-CZ3 3.72Å; F864-W928 HydrophobicContact CG-CZ3 3.72Å; F864-W928 HydrophobicContact CZ-CH2 4.04Å; L866-W928 HydrophobicContact CD1-CE3 4.33Å; L866-W928 HydrophobicContact CD2-CE3 3.78Å; L866-W928 HydrophobicContact CD2-CZ3 3.99Å; I882-W928 HydrophobicContact CG2-CE3 4.43Å; I882-W928 HydrophobicContact CG2-CZ3 3.99Å; F886-W928 HydrophobicContact CE1-CE3 4.02Å; F886-W928 AromaticContact CE1-CH2 3.77Å; F886-W928 HydrophobicContact CE1-CH2 3.77Å; F886-W928 HydrophobicContact CE1-CZ2 4.33Å; F886-W928 AromaticContact CE1-CZ3 3.61Å; F886-W928 HydrophobicContact CE1-CZ3 3.61Å; F886-W928 HydrophobicContact CZ-CE3 4.03Å; F886-W928 AromaticContact CZ-CH2 3.97Å; F886-W928 HydrophobicContact CZ-CH2 3.97Å; F886-W928 AromaticContact CZ-CZ3 3.46Å; F886-W928 HydrophobicContact CZ-CZ3 3.46Å; F886-W928 VanDerWaalsContact CZ-CZ3 3.46Å; H894-W928 HydrophobicContact CB-CZ2 4.32Å; H894-W928 AromaticContact CE1-CE2 3.63Å; H894-W928 AromaticContact CE1-CZ2 3.55Å; H894-W928 AromaticContact CE1-NE1 3.57Å; H894-W928 AromaticContact CG-CZ2 3.73Å; H894-W928 AromaticContact ND1-CE2 3.8Å; H894-W928 AromaticContact ND1-CZ2 3.36Å; H894-W928 WeakPolarHBondContact ND1-CZ2 3.48Å; H894-W928 AromaticContact ND1-NE1 3.81Å; L898-W928 HydrophobicContact CD1-CZ2 4.24Å; W928-V930 HydrophobicContact CB-CG2 4.36Å; W928-F961 HydrophobicContact CB-CD2 3.99Å; W928-F961 HydrophobicContact CB-CE2 4.15Å; W928-F961 AromaticContact CD1-CE2 3.81Å; W928-F961 AromaticContact CD2-CD2 3.75Å; W928-F961 HydrophobicContact CD2-CD2 3.75Å; W928-F961 AromaticContact CD2-CE2 3.85Å; W928-F961 HydrophobicContact CD2-CE2 3.85Å; W928-F961 AromaticContact CE3-CD2 3.96Å; W928-F961 HydrophobicContact CE3-CD2 3.96Å; W928-F961 HydrophobicContact CE3-CE2 4.48Å; W928-F961 AromaticContact CG-CD2 3.78Å; W928-F961 HydrophobicContact CG-CD2 3.78Å; W928-F961 AromaticContact CG-CE2 3.68Å; W928-F961 HydrophobicContact CG-CE2 3.68Å; W928-R963 WeakPolarHBondContact CA-O 3.38Å
929	E	96.2	Very high	93.6	Very high	31 Å²	31	25.8 Å²	25.8	15%	0.145	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.1	168.8	-164.9	179.3	91.5	0	0	108.5	L962 R963 R965	E929-L962 HydrophobicContact CB-CB 4.35Å; E929-L962 HydrophobicContact CG-CB 4.46Å; E929-L962 HydrophobicContact CG-CD1 4.26Å; E929-L962 PolarHBondContact O-N 2.68Å; E929-L962 WeakPolarHBondContact OE1-CD1 3.27Å; E929-R963 HydrophobicContact CB-CG 3.8Å; E929-R963 PolarHBondContact N-O 3.41Å; E929-R963 IonicContact OE1-NE 3.57Å; E929-R963 PolarHBondContact OE1-NE 2.92Å; E929-R963 IonicContact OE2-CZ 3.77Å; E929-R963 IonicContact OE2-NE 2.73Å; E929-R963 PolarHBondContact OE2-NE 2.83Å; E929-R963 IonicContact OE2-NH2 2.75Å; E929-R963 PolarHBondContact OE2-NH2 2.87Å; E929-R965 HydrophobicContact CB-CG 4.16Å; E929-R965 IonicContact OE2-NH1 3.66Å
930	V	94.8	Very high	93.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.2	-176	-179	0	0	0	0	109.5	T842 V843 L866 I882 W928 L956 P959 R960	T842-V930 WeakPolarHBondContact CA-O 3.18Å; V843-V930 HydrophobicContact CG2-CB 4.46Å; V843-V930 PolarHBondContact N-O 3.44Å; V843-V930 PolarHBondContact O-N 2.92Å; L866-V930 HydrophobicContact CD1-CG2 3.66Å; I882-V930 HydrophobicContact CD1-CG1 3.89Å; I882-V930 HydrophobicContact CD1-CG2 4.08Å; W928-V930 HydrophobicContact CB-CG2 4.36Å; V930-L956 HydrophobicContact CB-CD1 4.47Å; V930-L956 HydrophobicContact CG1-CD1 3.76Å; V930-P959 HydrophobicContact CG1-CB 3.76Å; V930-R960 WeakPolarHBondContact CA-O 3.29Å
931	K	91.1	Very high	93.6	Very high	27 Å²	27	24.9 Å²	24.9	12%	0.117	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	140.5	170.1	-156.1	172.1	-169.2	-174.5	0	110.4	D834 L836 V839 T842 P959 R960 L962	D834-K931 WeakPolarHBondContact O-CE 3.41Å; D834-K931 PolarHBondContact O-NZ 2.82Å; L836-K931 PolarHBondContact O-NZ 3.5Å; V839-K931 WeakPolarHBondContact O-CE 3.49Å; V839-K931 PolarHBondContact O-NZ 3.01Å; T842-K931 HydrophobicContact CG2-CB 4.1Å; T842-K931 HydrophobicContact CG2-CD 4.31Å; T842-K931 HydrophobicContact CG2-CG 3.9Å; K931-P959 WeakPolarHBondContact O-CA 3.45Å; K931-R960 PolarHBondContact N-O 2.83Å; K931-R960 PolarHBondContact O-N 3.42Å; K931-L962 HydrophobicContact CB-CD1 3.98Å; K931-L962 HydrophobicContact CB-CD2 4.2Å; K931-L962 HydrophobicContact CB-CG 4.1Å
932	C	89.5	Confident	93.5	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.02	15%	0.147	C	C	.	.			trans	-117.9	173	172.1	68.3	0	0	0	0	110.8	D841 L956	D841-C932 PolarHBondContact O-N 3.16Å; D841-C932 PolarHBondContact O-SG 2.83Å; C932-L956 HydrophobicContact CB-CB 3.88Å; C932-L956 HydrophobicContact CB-CD1 4.36Å; C932-L956 HydrophobicContact CB-CD2 4.09Å; C932-L956 HydrophobicContact CB-CG 4.32Å
933	A	83.8	Confident	93.4	Very high	20 Å²	20	25.7 Å²	25.7	17%	0.165	15%	0.147	C	C	.	.	S	Bend	trans	-90	-47.2	165.8	0	0	0	0	0	111	R957 F958	A933-R957 PolarHBondContact N-O 3.11Å; A933-F958 HydrophobicContact CB-CD2 3.98Å
934	D	85.6	Confident	93.3	Very high	37 Å²	37	24 Å²	24	20%	0.198	14%	0.138	C	C	.	.			trans	-147.4	166.8	-176	-48.3	-74.8	0	0	0	109.2	R957	D934-R957 HydrophobicContact CB-CB 3.98Å; D934-R957 VanDerWaalsContact O-CB 3.3Å; D934-R957 WeakPolarHBondContact O-CB 3.36Å; D934-R957 PolarHBondContact O-N 2.6Å; D934-R957 WeakPolarHBondContact OD2-CD 3.38Å; D934-R957 IonicContact OD2-CZ 2.71Å; D934-R957 IonicContact OD2-NE 2.73Å; D934-R957 IonicContact OD2-NH1 2.65Å; D934-R957 PolarHBondContact OD2-NH1 2.92Å
935	L	91.1	Very high	93.2	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.8	169.1	-63.7	92.5	0	0	0	110.2	I954 L956 I979 L982 Y983 Q986	L935-I954 HydrophobicContact CB-CG2 4.04Å; L935-I954 HydrophobicContact CD2-CG2 4.13Å; L935-L956 HydrophobicContact CD2-CD2 4.24Å; L935-L956 HydrophobicContact CG-CD2 4.17Å; L935-I979 HydrophobicContact CD2-CG2 4Å; L935-L982 HydrophobicContact CD1-CB 3.94Å; L935-L982 HydrophobicContact CD2-CB 3.86Å; L935-Y983 HydrophobicContact CB-CD2 3.96Å; L935-Y983 WeakPolarHBondContact O-CD2 3.44Å; L935-Y983 WeakPolarHBondContact O-CE2 3.28Å; L935-Q986 PolarHBondContact O-NE2 3.47Å; L935-Q986 PolarHBondContact O-OE1 2.9Å
936	S	90.3	Very high	92.9	Very high	24 Å²	24	26.5 Å²	26.5	17%	0.168	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.8	-166.6	59.3	0	0	0	0	112.3	Q722 I954 S955	Q722-S936 VanDerWaalsContact OE1-CA 3.31Å; S936-I954 CarbonylContact O-C 3.57Å; S936-I954 WeakPolarHBondContact O-CA 3.29Å; S936-S955 PolarHBondContact N-O 3.13Å; S936-S955 PolarHBondContact O-N 3.48Å; S936-S955 PolarHBondContact OG-O 3.08Å
937	L	91.9	Very high	92.7	Very high	40 Å²	40	28.6 Å²	28.6	21%	0.209	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	138.1	173.7	-72.8	175.5	0	0	0	110.4	Q722 V948 D949 K952 I954 Y983	Q722-L937 PolarHBondContact NE2-O 2.91Å; Q722-L937 VanDerWaalsContact NE2-O 3.07Å; L937-V948 HydrophobicContact CD2-CB 4.49Å; L937-V948 HydrophobicContact CD2-CG1 3.99Å; L937-D949 HydrophobicContact CD1-CB 4.31Å; L937-D949 HydrophobicContact CD2-CB 3.85Å; L937-K952 HydrophobicContact CB-CD 4.49Å; L937-I954 HydrophobicContact CD2-CG1 4.35Å; L937-Y983 HydrophobicContact CG-CE2 4.2Å
938	S	92.6	Very high	92.3	Very high	12 Å²	12	31 Å²	31	8%	0.084	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126	-172.9	-168.2	0	0	0	0	112.5	V940 Y941 K952 G953	S938-V940 PolarHBondContact O-N 3.28Å; S938-V940 PolarHBondContact OG-N 2.94Å; S938-Y941 WeakPolarHBondContact OG-CD2 3.5Å; S938-Y941 PolarHBondContact OG-N 3.45Å; S938-K952 WeakPolarHBondContact O-CA 3.42Å; S938-K952 WeakPolarHBondContact O-CB 3.32Å; S938-G953 PolarHBondContact N-O 3Å; S938-G953 PolarHBondContact O-N 2.64Å
939	P	90.6	Very high	92	Very high	99 Å²	99	32.6 Å²	32.6	64%	0.643	19%	0.192	S	C	*	.	S	Bend	trans	-76.5	-8.8	171.1	32.7	-35.1	0	0	0	113
940	V	93.7	Very high	91.7	Very high	41 Å²	41	35.4 Å²	35.4	25%	0.248	22%	0.221	C	C	.	.	S	Bend	trans	-101.5	-59	-176.6	173.2	0	0	0	0	110.4	D913 A916 S938 K942	D913-V940 HydrophobicContact CB-CG1 4.15Å; D913-V940 VanDerWaalsContact CB-O 3.29Å; D913-V940 WeakPolarHBondContact CB-O 3.29Å; A916-V940 HydrophobicContact CB-CG1 3.78Å; S938-V940 PolarHBondContact O-N 3.28Å; S938-V940 PolarHBondContact OG-N 2.94Å; V940-K942 WeakPolarHBondContact O-CE 3.38Å; V940-K942 PolarHBondContact O-NZ 2.93Å
941	Y	96.6	Very high	91.5	Very high	34 Å²	34	42.4 Å²	42.4	13%	0.133	25%	0.254	C	S	.	.			trans	-71.6	148.6	-173.5	-65.7	-64.5	0	0	0	111.8	L865 S878 V879 K881 A916 S938 G953 S955	L865-Y941 HydrophobicContact CD1-CE1 4.01Å; S878-Y941 WeakPolarHBondContact O-CB 3.27Å; V879-Y941 WeakPolarHBondContact O-CB 3.35Å; V879-Y941 WeakPolarHBondContact O-CD2 3.49Å; K881-Y941 VanDerWaalsContact CB-OH 3.31Å; K881-Y941 WeakPolarHBondContact CB-OH 3.19Å; K881-Y941 PolarHBondContact N-OH 3.35Å; A916-Y941 HydrophobicContact CB-CE1 4.22Å; S938-Y941 WeakPolarHBondContact OG-CD2 3.5Å; S938-Y941 PolarHBondContact OG-N 3.45Å; Y941-G953 VanDerWaalsContact O-CA 3.31Å; Y941-G953 WeakPolarHBondContact O-CA 3.48Å; Y941-G953 PolarHBondContact O-N 3.27Å; Y941-S955 WeakPolarHBondContact CD2-OG 3.47Å; Y941-S955 WeakPolarHBondContact CE2-OG 3.05Å
942	K	95.7	Very high	91.6	Very high	43 Å²	43	44.7 Å²	44.7	19%	0.187	26%	0.263	C	S	.	.			trans	-105.6	-11.3	-169.2	-55.2	-51.5	-176	-143.2	0	114	Q877 S878 R911 D913 V940 A944 M945	Q877-K942 PolarHBondContact OE1-O 3.33Å; S878-K942 PolarHBondContact O-N 2.85Å; R911-K942 HydrophobicContact CB-CB 4.28Å; D913-K942 WeakPolarHBondContact OD2-CE 3.34Å; D913-K942 IonicContact OD2-NZ 3.21Å; D913-K942 PolarHBondContact OD2-NZ 3.19Å; V940-K942 WeakPolarHBondContact O-CE 3.38Å; V940-K942 PolarHBondContact O-NZ 2.93Å; K942-A944 PolarHBondContact O-N 3.36Å; K942-M945 HydrophobicContact CD-CE 3.51Å; K942-M945 HydrophobicContact CD-SD 4.13Å; K942-M945 VanDerWaalsContact O-CB 3.32Å; K942-M945 WeakPolarHBondContact O-CB 3.28Å; K942-M945 PolarHBondContact O-N 3.37Å
943	A	96.4	Very high	91.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	126.4	175.9	0	0	0	0	0	112.4	C868 Q877 S878 V879 M945 G953 I954	C868-A943 WeakPolarHBondContact SG-CB 3.44Å; Q877-A943 HydrophobicContact CB-CB 4.46Å; Q877-A943 VanDerWaalsContact OE1-CA 3.23Å; S878-A943 PolarHBondContact O-N 3.16Å; V879-A943 HydrophobicContact CB-CB 4.23Å; V879-A943 HydrophobicContact CG2-CB 3.47Å; V879-A943 VanDerWaalsContact CG2-CB 3.47Å; A943-M945 PolarHBondContact O-N 3.45Å; A943-M945 VanDerWaalsContact O-N 3.14Å; A943-G953 CarbonylContact O-C 3.48Å; A943-G953 WeakPolarHBondContact O-CA 3.22Å; A943-I954 PolarHBondContact O-N 3.31Å
944	A	94.8	Very high	92.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	21.4	176.9	0	0	0	0	0	115.6	K942 G946 M947 I954 G976 I979 A980	K942-A944 PolarHBondContact O-N 3.36Å; A944-G946 PolarHBondContact O-N 3.08Å; A944-M947 HydrophobicContact CB-CB 4.35Å; A944-M947 HydrophobicContact CB-CG 4.48Å; A944-M947 HydrophobicContact CB-SD 3.96Å; A944-M947 WeakPolarHBondContact O-CB 3.28Å; A944-M947 PolarHBondContact O-N 3.29Å; A944-I954 HydrophobicContact CB-CD1 3.77Å; A944-I954 HydrophobicContact CB-CG1 4.14Å; A944-G976 WeakPolarHBondContact CB-O 3.2Å; A944-I979 HydrophobicContact CB-CG2 4.48Å; A944-A980 HydrophobicContact CB-CB 4.15Å
945	M	93.5	Very high	92.9	Very high	67 Å²	67	42.3 Å²	42.3	33%	0.33	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	133.3	173.8	-177.6	168	-74	0	0	110.4	K942 A943 M947 E951	K942-M945 HydrophobicContact CD-CE 3.51Å; K942-M945 HydrophobicContact CD-SD 4.13Å; K942-M945 VanDerWaalsContact O-CB 3.32Å; K942-M945 WeakPolarHBondContact O-CB 3.28Å; K942-M945 PolarHBondContact O-N 3.37Å; A943-M945 PolarHBondContact O-N 3.45Å; A943-M945 VanDerWaalsContact O-N 3.14Å; M945-M947 VanDerWaalsContact C-N 3.3Å; M945-M947 PolarHBondContact O-N 3.05Å; M945-E951 WeakPolarHBondContact CE-O 3.5Å
946	G	90.6	Very high	93	Very high	55 Å²	55	42.6 Å²	42.6	57%	0.567	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-15.7	-173.5	0	0	0	0	0	115.5	A944 D949	A944-G946 PolarHBondContact O-N 3.08Å; G946-D949 VanDerWaalsContact CA-O 3.28Å; G946-D949 WeakPolarHBondContact CA-O 3.44Å; G946-D949 PolarHBondContact N-O 2.78Å
947	M	91.6	Very high	92.9	Very high	61 Å²	61	43.4 Å²	43.4	30%	0.3	25%	0.249	S	C	.	.	S	Bend	trans	-88.5	-12.2	-178.2	-57.7	-178.7	173.1	0	0	114.5	A944 M945 A977 A980 K984	A944-M947 HydrophobicContact CB-CB 4.35Å; A944-M947 HydrophobicContact CB-CG 4.48Å; A944-M947 HydrophobicContact CB-SD 3.96Å; A944-M947 WeakPolarHBondContact O-CB 3.28Å; A944-M947 PolarHBondContact O-N 3.29Å; M945-M947 VanDerWaalsContact C-N 3.3Å; M945-M947 PolarHBondContact O-N 3.05Å; M947-A977 HydrophobicContact SD-CB 4.47Å; M947-A980 HydrophobicContact CB-CB 3.89Å; M947-A980 HydrophobicContact SD-CB 4.29Å; M947-K984 WeakPolarHBondContact O-CE 3.24Å; M947-K984 PolarHBondContact O-NZ 3.17Å
948	V	89.9	Confident	92.8	Very high	52 Å²	52	47.2 Å²	47.2	32%	0.315	26%	0.264	S	S	.	.	S	Bend	trans	-141.9	-44.6	-178.7	177.4	0	0	0	0	111	L937 I954 A980 Y983	L937-V948 HydrophobicContact CD2-CB 4.49Å; L937-V948 HydrophobicContact CD2-CG1 3.99Å; V948-I954 HydrophobicContact CB-CD1 4.31Å; V948-I954 HydrophobicContact CG2-CD1 3.75Å; V948-A980 HydrophobicContact CG2-CB 3.93Å; V948-Y983 HydrophobicContact CG1-CD1 3.71Å; V948-Y983 HydrophobicContact CG1-CE1 3.53Å; V948-Y983 HydrophobicContact CG2-CD1 4.19Å
949	D	91.2	Very high	92.8	Very high	33 Å²	33	47.4 Å²	47.4	18%	0.176	27%	0.266	C	S	.	.			trans	-132.8	138.6	178.4	-175.4	-62.4	0	0	0	108	L937 G946 E951 K952	L937-D949 HydrophobicContact CD1-CB 4.31Å; L937-D949 HydrophobicContact CD2-CB 3.85Å; G946-D949 VanDerWaalsContact CA-O 3.28Å; G946-D949 WeakPolarHBondContact CA-O 3.44Å; G946-D949 PolarHBondContact N-O 2.78Å; D949-E951 VanDerWaalsContact C-N 3.3Å; D949-E951 PolarHBondContact O-N 2.78Å; D949-E951 PolarHBondContact OD1-N 3.1Å; D949-K952 HydrophobicContact CB-CB 3.95Å; D949-K952 WeakPolarHBondContact OD1-CB 3.35Å; D949-K952 WeakPolarHBondContact OD1-CG 3.24Å; D949-K952 PolarHBondContact OD1-N 3.49Å; D949-K952 IonicContact OD1-NZ 3.95Å; D949-K952 PolarHBondContact OD1-NZ 2.74Å; D949-K952 WeakPolarHBondContact OD2-CD 3.37Å; D949-K952 WeakPolarHBondContact OD2-CE 3.45Å; D949-K952 IonicContact OD2-NZ 3.71Å; D949-K952 PolarHBondContact OD2-NZ 3.09Å
950	A	90	Very high	92.8	Very high	90 Å²	90	47.4 Å²	47.4	74%	0.744	25%	0.253	S	S	*	.	S	Bend	trans	-68	-27.6	-173.2	0	0	0	0	0	113.6
951	E	90.6	Very high	92.8	Very high	148 Å²	148	46.2 Å²	46.2	69%	0.692	24%	0.244	S	C	*	.	S	Bend	trans	-119.9	-10.5	-174.7	-62.1	-168.8	150.3	0	0	113.7	M945 D949	M945-E951 WeakPolarHBondContact CE-O 3.5Å; D949-E951 VanDerWaalsContact C-N 3.3Å; D949-E951 PolarHBondContact O-N 2.78Å; D949-E951 PolarHBondContact OD1-N 3.1Å
952	K	92.7	Very high	92.6	Very high	74 Å²	74	48.6 Å²	48.6	32%	0.322	26%	0.259	S	S	.	.			trans	-115.8	136.6	-175.5	-57.2	171.8	-149.3	69	0	110.5	L937 S938 D949	L937-K952 HydrophobicContact CB-CD 4.49Å; S938-K952 WeakPolarHBondContact O-CA 3.42Å; S938-K952 WeakPolarHBondContact O-CB 3.32Å; D949-K952 HydrophobicContact CB-CB 3.95Å; D949-K952 WeakPolarHBondContact OD1-CB 3.35Å; D949-K952 WeakPolarHBondContact OD1-CG 3.24Å; D949-K952 PolarHBondContact OD1-N 3.49Å; D949-K952 IonicContact OD1-NZ 3.95Å; D949-K952 PolarHBondContact OD1-NZ 2.74Å; D949-K952 WeakPolarHBondContact OD2-CD 3.37Å; D949-K952 WeakPolarHBondContact OD2-CE 3.45Å; D949-K952 IonicContact OD2-NZ 3.71Å; D949-K952 PolarHBondContact OD2-NZ 3.09Å
953	G	94.9	Very high	92.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-169.5	165.8	0	0	0	0	0	111.4	S938 Y941 A943	S938-G953 PolarHBondContact N-O 3Å; S938-G953 PolarHBondContact O-N 2.64Å; Y941-G953 VanDerWaalsContact O-CA 3.31Å; Y941-G953 WeakPolarHBondContact O-CA 3.48Å; Y941-G953 PolarHBondContact O-N 3.27Å; A943-G953 CarbonylContact O-C 3.48Å; A943-G953 WeakPolarHBondContact O-CA 3.22Å
954	I	95.8	Very high	92.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.4	-177.6	-56	177.8	0	0	0	109.6	L935 S936 L937 A943 A944 V948 I979 A980 Y983	L935-I954 HydrophobicContact CB-CG2 4.04Å; L935-I954 HydrophobicContact CD2-CG2 4.13Å; S936-I954 CarbonylContact O-C 3.57Å; S936-I954 WeakPolarHBondContact O-CA 3.29Å; L937-I954 HydrophobicContact CD2-CG1 4.35Å; A943-I954 PolarHBondContact O-N 3.31Å; A944-I954 HydrophobicContact CB-CD1 3.77Å; A944-I954 HydrophobicContact CB-CG1 4.14Å; V948-I954 HydrophobicContact CB-CD1 4.31Å; V948-I954 HydrophobicContact CG2-CD1 3.75Å; I954-I979 HydrophobicContact CB-CG2 3.71Å; I954-I979 HydrophobicContact CD1-CG2 4.17Å; I954-I979 HydrophobicContact CG2-CG2 3.59Å; I954-A980 HydrophobicContact CD1-CB 4.37Å; I954-Y983 HydrophobicContact CD1-CG 4.14Å; I954-Y983 HydrophobicContact CG2-CD2 4.28Å
955	S	95.6	Very high	92.6	Very high	10 Å²	10	55.2 Å²	55.2	7%	0.07	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.7	178.8	-161.8	0	0	0	0	112.2	V879 S936 Y941	V879-S955 WeakPolarHBondContact O-CA 3.25Å; V879-S955 VanDerWaalsContact O-CB 3.29Å; V879-S955 WeakPolarHBondContact O-CB 3.26Å; V879-S955 PolarHBondContact O-OG 3.01Å; S936-S955 PolarHBondContact N-O 3.13Å; S936-S955 PolarHBondContact O-N 3.48Å; S936-S955 PolarHBondContact OG-O 3.08Å; Y941-S955 WeakPolarHBondContact CD2-OG 3.47Å; Y941-S955 WeakPolarHBondContact CE2-OG 3.05Å
956	L	93.8	Very high	92.6	Very high	11 Å²	11	58.7 Å²	58.7	6%	0.058	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	133.6	-176	-55.9	-177.1	0	0	0	111.9	V843 L845 V879 C880 V930 C932 L935 P959	V843-L956 HydrophobicContact CG2-CD1 3.66Å; V843-L956 HydrophobicContact CG2-CD2 4.12Å; V843-L956 HydrophobicContact CG2-CG 4.5Å; L845-L956 HydrophobicContact CD1-CD1 3.96Å; V879-L956 HydrophobicContact CG1-CD1 4.4Å; V879-L956 HydrophobicContact CG1-CD2 4.45Å; V879-L956 HydrophobicContact CG1-CG 3.94Å; C880-L956 HydrophobicContact CB-CB 4.49Å; V930-L956 HydrophobicContact CB-CD1 4.47Å; V930-L956 HydrophobicContact CG1-CD1 3.76Å; C932-L956 HydrophobicContact CB-CB 3.88Å; C932-L956 HydrophobicContact CB-CD1 4.36Å; C932-L956 HydrophobicContact CB-CD2 4.09Å; C932-L956 HydrophobicContact CB-CG 4.32Å; L935-L956 HydrophobicContact CD2-CD2 4.24Å; L935-L956 HydrophobicContact CG-CD2 4.17Å; L956-P959 HydrophobicContact CB-CB 4.04Å; L956-P959 HydrophobicContact CB-CG 4.41Å; L956-P959 HydrophobicContact CD1-CB 4.17Å; L956-P959 WeakPolarHBondContact O-CD 3.4Å
957	R	89.4	Confident	92.8	Very high	40 Å²	40	60.8 Å²	60.8	15%	0.151	30%	0.304	C	S	.	.	S	Bend	trans	-83	126.6	169.5	-157.3	-165.8	-170.9	175.9	2.4	109.6	D656 A933 D934	D656-R957 IonicContact OD1-CZ 3.64Å; D656-R957 IonicContact OD1-NH1 3.49Å; D656-R957 PolarHBondContact OD1-NH1 3.07Å; D656-R957 IonicContact OD1-NH2 2.76Å; D656-R957 PolarHBondContact OD1-NH2 2.9Å; D656-R957 IonicContact OD2-CZ 3.82Å; D656-R957 IonicContact OD2-NH1 2.74Å; D656-R957 PolarHBondContact OD2-NH1 2.91Å; D656-R957 IonicContact OD2-NH2 2.83Å; D656-R957 PolarHBondContact OD2-NH2 2.92Å; A933-R957 PolarHBondContact N-O 3.11Å; D934-R957 HydrophobicContact CB-CB 3.98Å; D934-R957 VanDerWaalsContact O-CB 3.3Å; D934-R957 WeakPolarHBondContact O-CB 3.36Å; D934-R957 PolarHBondContact O-N 2.6Å; D934-R957 WeakPolarHBondContact OD2-CD 3.38Å; D934-R957 IonicContact OD2-CZ 2.71Å; D934-R957 IonicContact OD2-NE 2.73Å; D934-R957 IonicContact OD2-NH1 2.65Å; D934-R957 PolarHBondContact OD2-NH1 2.92Å
958	F	88.2	Confident	93.1	Very high	120 Å²	120	60.7 Å²	60.7	53%	0.526	30%	0.302	S	S	.	.	S	Bend	trans	51.5	50.8	-179.7	-51.1	-56.5	0	0	0	115.9	A933 R960	A933-F958 HydrophobicContact CB-CD2 3.98Å; F958-R960 WeakPolarHBondContact O-CG 3.46Å
959	P	92.6	Very high	93.4	Very high	17 Å²	17	64.7 Å²	64.7	11%	0.11	32%	0.315	C	S	.	.			trans	-62.2	136.9	-177	26.9	-34.8	0	0	0	112.6	C880 I882 T884 V930 K931 L956	C880-P959 HydrophobicContact CB-CG 4.5Å; I882-P959 HydrophobicContact CD1-CB 4.19Å; I882-P959 HydrophobicContact CG1-CB 4.36Å; T884-P959 PolarHBondContact OG1-O 2.68Å; T884-P959 VanDerWaalsContact OG1-O 3.09Å; V930-P959 HydrophobicContact CG1-CB 3.76Å; K931-P959 WeakPolarHBondContact O-CA 3.45Å; L956-P959 HydrophobicContact CB-CB 4.04Å; L956-P959 HydrophobicContact CB-CG 4.41Å; L956-P959 HydrophobicContact CD1-CB 4.17Å; L956-P959 WeakPolarHBondContact O-CD 3.4Å
960	R	91.3	Very high	93.6	Very high	98 Å²	98	63.8 Å²	63.8	37%	0.37	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.5	177.1	-49.3	-176.1	-153	151.9	24.3	110.1	D834 T884 V930 K931 F958	D834-R960 IonicContact OD2-CZ 2.76Å; D834-R960 IonicContact OD2-NH2 3.38Å; D834-R960 PolarHBondContact OD2-NH2 2.86Å; T884-R960 WeakPolarHBondContact O-CA 3.49Å; V930-R960 WeakPolarHBondContact CA-O 3.29Å; K931-R960 PolarHBondContact N-O 2.83Å; K931-R960 PolarHBondContact O-N 3.42Å; F958-R960 WeakPolarHBondContact O-CG 3.46Å
961	F	94.3	Very high	93.9	Very high	17 Å²	17	64.1 Å²	64.1	8%	0.075	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	132.4	168.8	170.1	-95.7	0	0	0	109.3	I882 T884 G885 F886 H894 W928 R963 I964	I882-F961 HydrophobicContact CD1-CB 4.24Å; T884-F961 PolarHBondContact O-N 2.72Å; G885-F961 WeakPolarHBondContact CA-O 3.35Å; F886-F961 HydrophobicContact CD1-CB 3.88Å; F886-F961 AromaticContact CD1-CD1 3.62Å; F886-F961 HydrophobicContact CD1-CD1 3.62Å; F886-F961 HydrophobicContact CD1-CD2 4.09Å; F886-F961 HydrophobicContact CD1-CE1 4.09Å; F886-F961 AromaticContact CD1-CG 3.6Å; F886-F961 HydrophobicContact CD1-CG 3.6Å; F886-F961 HydrophobicContact CD2-CB 4.49Å; F886-F961 HydrophobicContact CE1-CB 3.51Å; F886-F961 AromaticContact CE1-CD1 3.91Å; F886-F961 HydrophobicContact CE1-CD1 3.91Å; F886-F961 AromaticContact CE1-CD2 3.53Å; F886-F961 HydrophobicContact CE1-CD2 3.53Å; F886-F961 HydrophobicContact CE1-CE1 4.48Å; F886-F961 HydrophobicContact CE1-CE2 4.15Å; F886-F961 AromaticContact CE1-CG 3.38Å; F886-F961 HydrophobicContact CE1-CG 3.38Å; F886-F961 HydrophobicContact CE2-CB 4.16Å; F886-F961 HydrophobicContact CG-CB 4.36Å; F886-F961 HydrophobicContact CG-CD1 4.34Å; F886-F961 HydrophobicContact CG-CG 4.44Å; F886-F961 HydrophobicContact CZ-CB 3.65Å; F886-F961 HydrophobicContact CZ-CD2 4.29Å; F886-F961 HydrophobicContact CZ-CG 4.05Å; H894-F961 AromaticContact CE1-CE2 3.84Å; H894-F961 AromaticContact CE1-CZ 3.78Å; H894-F961 AromaticContact NE2-CE2 3.81Å; H894-F961 AromaticContact NE2-CZ 3.55Å; W928-F961 HydrophobicContact CB-CD2 3.99Å; W928-F961 HydrophobicContact CB-CE2 4.15Å; W928-F961 AromaticContact CD1-CE2 3.81Å; W928-F961 AromaticContact CD2-CD2 3.75Å; W928-F961 HydrophobicContact CD2-CD2 3.75Å; W928-F961 AromaticContact CD2-CE2 3.85Å; W928-F961 HydrophobicContact CD2-CE2 3.85Å; W928-F961 AromaticContact CE3-CD2 3.96Å; W928-F961 HydrophobicContact CE3-CD2 3.96Å; W928-F961 HydrophobicContact CE3-CE2 4.48Å; W928-F961 AromaticContact CG-CD2 3.78Å; W928-F961 HydrophobicContact CG-CD2 3.78Å; W928-F961 AromaticContact CG-CE2 3.68Å; W928-F961 HydrophobicContact CG-CE2 3.68Å; F961-R963 WeakPolarHBondContact CE2-O 3.49Å; F961-I964 HydrophobicContact CE2-CG1 4.23Å; F961-I964 HydrophobicContact CZ-CG1 4.12Å
962	L	90.9	Very high	94.2	Very high	83 Å²	83	60.8 Å²	60.8	44%	0.435	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-54	169.5	-63.3	-173	0	0	0	111.1	T842 E929 K931	T842-L962 HydrophobicContact CG2-CD1 3.91Å; E929-L962 HydrophobicContact CB-CB 4.35Å; E929-L962 HydrophobicContact CG-CB 4.46Å; E929-L962 HydrophobicContact CG-CD1 4.26Å; E929-L962 PolarHBondContact O-N 2.68Å; E929-L962 WeakPolarHBondContact OE1-CD1 3.27Å; K931-L962 HydrophobicContact CB-CD1 3.98Å; K931-L962 HydrophobicContact CB-CD2 4.2Å; K931-L962 HydrophobicContact CB-CG 4.1Å
963	R	93.4	Very high	94.4	Very high	103 Å²	103	57.5 Å²	57.5	39%	0.389	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	167.2	-176.8	61.8	176.9	-175.4	110.1	-1.7	112.4	W928 E929 F961 R965 D967	W928-R963 WeakPolarHBondContact CA-O 3.38Å; E929-R963 HydrophobicContact CB-CG 3.8Å; E929-R963 PolarHBondContact N-O 3.41Å; E929-R963 IonicContact OE1-NE 3.57Å; E929-R963 PolarHBondContact OE1-NE 2.92Å; E929-R963 IonicContact OE2-CZ 3.77Å; E929-R963 IonicContact OE2-NE 2.73Å; E929-R963 PolarHBondContact OE2-NE 2.83Å; E929-R963 IonicContact OE2-NH2 2.75Å; E929-R963 PolarHBondContact OE2-NH2 2.87Å; F961-R963 WeakPolarHBondContact CE2-O 3.49Å; R963-R965 VanDerWaalsContact NH2-CD 3.26Å; R963-R965 VanDerWaalsContact NH2-NE 3.13Å; R963-D967 IonicContact NH1-OD1 3.63Å; R963-D967 PolarHBondContact NH1-OD1 3.05Å
964	I	96.6	Very high	94.5	Very high	46 Å²	46	58 Å²	58	24%	0.236	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	146.1	163.8	-51.9	173.2	0	0	0	108.9	Q926 F961 D966	Q926-I964 HydrophobicContact CG-CG2 3.73Å; F961-I964 HydrophobicContact CE2-CG1 4.23Å; F961-I964 HydrophobicContact CZ-CG1 4.12Å; I964-D966 VanDerWaalsContact CG2-OD1 3.26Å; I964-D966 WeakPolarHBondContact CG2-OD1 3.33Å
965	R	96.8	Very high	94.6	Very high	33 Å²	33	58.2 Å²	58.2	13%	0.125	28%	0.275	C	S	.	.			trans	-102.2	72.9	169.4	-63.4	-60.3	-60.4	-93.7	-3.2	110	D844 V927 E929 R963 D967 K968	D844-R965 WeakPolarHBondContact OD1-CG 3.5Å; D844-R965 IonicContact OD1-CZ 3.68Å; D844-R965 IonicContact OD1-NE 2.75Å; D844-R965 IonicContact OD1-NH1 2.67Å; D844-R965 PolarHBondContact OD1-NH1 2.95Å; D844-R965 IonicContact OD2-CZ 2.68Å; D844-R965 IonicContact OD2-NH1 3.17Å; D844-R965 PolarHBondContact OD2-NH1 3.22Å; V927-R965 HydrophobicContact CB-CB 4.18Å; V927-R965 HydrophobicContact CG1-CB 4.1Å; V927-R965 HydrophobicContact CG1-CG 4.25Å; V927-R965 PolarHBondContact O-N 3.38Å; E929-R965 HydrophobicContact CB-CG 4.16Å; E929-R965 IonicContact OE2-NH1 3.66Å; R963-R965 VanDerWaalsContact NH2-CD 3.26Å; R963-R965 VanDerWaalsContact NH2-NE 3.13Å; R965-D967 WeakPolarHBondContact CA-OD1 3.28Å; R965-D967 IonicContact CZ-OD1 3.28Å; R965-D967 IonicContact CZ-OD2 2.64Å; R965-D967 IonicContact NE-OD1 3.45Å; R965-D967 PolarHBondContact NE-OD1 3.1Å; R965-D967 IonicContact NE-OD2 2.8Å; R965-D967 PolarHBondContact NE-OD2 3.34Å; R965-D967 IonicContact NH2-OD1 2.78Å; R965-D967 IonicContact NH2-OD2 3.48Å; R965-D967 PolarHBondContact NH2-OD2 2.78Å; R965-D967 PolarHBondContact O-N 3.43Å; R965-D967 VanDerWaalsContact O-N 3.1Å; R965-K968 HydrophobicContact CB-CB 3.96Å; R965-K968 HydrophobicContact CB-CG 4.39Å; R965-K968 PolarHBondContact O-N 3.25Å
966	D	94.5	Very high	94.5	Very high	140 Å²	140	57.8 Å²	57.8	75%	0.749	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.2	173.3	-54.1	-58.4	0	0	0	112.3	I964	I964-D966 VanDerWaalsContact CG2-OD1 3.26Å; I964-D966 WeakPolarHBondContact CG2-OD1 3.33Å
967	D	95.8	Very high	94.6	Very high	100 Å²	100	59.7 Å²	59.7	54%	0.535	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0.2	173.3	63.5	-60.8	0	0	0	114.6	R963 R965	R963-D967 IonicContact NH1-OD1 3.63Å; R963-D967 PolarHBondContact NH1-OD1 3.05Å; R965-D967 WeakPolarHBondContact CA-OD1 3.28Å; R965-D967 IonicContact CZ-OD1 3.28Å; R965-D967 IonicContact CZ-OD2 2.64Å; R965-D967 IonicContact NE-OD1 3.45Å; R965-D967 PolarHBondContact NE-OD1 3.1Å; R965-D967 IonicContact NE-OD2 2.8Å; R965-D967 PolarHBondContact NE-OD2 3.34Å; R965-D967 IonicContact NH2-OD1 2.78Å; R965-D967 IonicContact NH2-OD2 3.48Å; R965-D967 PolarHBondContact NH2-OD2 2.78Å; R965-D967 PolarHBondContact O-N 3.43Å; R965-D967 VanDerWaalsContact O-N 3.1Å
968	K	96.7	Very high	94.8	Very high	58 Å²	58	62.3 Å²	62.3	25%	0.252	30%	0.303	S	S	.	.			trans	-131	143.2	179.7	-77.8	-169	155.4	-164.4	0	113	D844 V927 R965 D972	D844-K968 HydrophobicContact CB-CD 4.1Å; D844-K968 WeakPolarHBondContact OD2-CD 3.46Å; D844-K968 VanDerWaalsContact OD2-CE 3.29Å; D844-K968 WeakPolarHBondContact OD2-CE 3.41Å; D844-K968 IonicContact OD2-NZ 2.67Å; D844-K968 PolarHBondContact OD2-NZ 3.5Å; V927-K968 HydrophobicContact CB-CB 4.42Å; V927-K968 HydrophobicContact CG1-CB 4.48Å; R965-K968 HydrophobicContact CB-CB 3.96Å; R965-K968 HydrophobicContact CB-CG 4.39Å; R965-K968 PolarHBondContact O-N 3.25Å; K968-D972 HydrophobicContact CB-CB 3.97Å; K968-D972 HydrophobicContact CD-CB 4.13Å; K968-D972 WeakPolarHBondContact CD-O 3.48Å; K968-D972 WeakPolarHBondContact CE-O 3.38Å; K968-D972 HydrophobicContact CG-CB 3.92Å; K968-D972 PolarHBondContact NZ-O 2.88Å
969	K	96.6	Very high	95.1	Very high	136 Å²	136	56.6 Å²	56.6	59%	0.591	28%	0.278	S	S	*	.			trans	-85.6	165.9	166	-56.3	177.5	-177.7	170.2	0	111.3	V927 E971 D972	V927-K969 WeakPolarHBondContact CG2-O 3.44Å; K969-E971 WeakPolarHBondContact CB-OE2 3.49Å; K969-E971 PolarHBondContact O-N 3.3Å; K969-D972 VanDerWaalsContact CB-OD2 3.26Å; K969-D972 WeakPolarHBondContact CB-OD2 3.38Å; K969-D972 WeakPolarHBondContact CG-OD2 3.45Å; K969-D972 PolarHBondContact N-OD2 3.4Å; K969-D972 WeakPolarHBondContact O-CB 3.33Å; K969-D972 PolarHBondContact O-N 2.89Å
970	P	96.2	Very high	95.2	Very high	15 Å²	15	55.9 Å²	55.9	10%	0.097	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-49.9	-38.5	171.9	-28.6	36.6	0	0	0	114.4	F876 A924 D972 A973	F876-P970 HydrophobicContact CE1-CB 3.97Å; F876-P970 WeakPolarHBondContact CE1-O 3.38Å; F876-P970 HydrophobicContact CE2-CB 4.48Å; F876-P970 HydrophobicContact CZ-CB 3.5Å; F876-P970 VanDerWaalsContact CZ-CB 3.5Å; A924-P970 HydrophobicContact CB-CB 4.24Å; A924-P970 HydrophobicContact CB-CG 4.38Å; A924-P970 WeakPolarHBondContact O-CG 3.42Å; P970-D972 VanDerWaalsContact C-N 3.31Å; P970-A973 WeakPolarHBondContact O-CB 3.05Å; P970-A973 PolarHBondContact O-N 2.66Å
971	E	95.9	Very high	95.3	Very high	96 Å²	96	55 Å²	55	45%	0.449	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-75.3	-20.8	-179.3	-51.1	77	-164.8	0	0	112.4	Y869 K969 A973	Y869-E971 HydrophobicContact CE1-CB 4.39Å; K969-E971 WeakPolarHBondContact CB-OE2 3.49Å; K969-E971 PolarHBondContact O-N 3.3Å; E971-A973 PolarHBondContact O-N 3.49Å
972	D	96.3	Very high	95.1	Very high	79 Å²	79	55.8 Å²	55.8	42%	0.422	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-83.1	5.8	173.5	-53.2	-54.9	0	0	0	112.3	K968 K969 P970	K968-D972 HydrophobicContact CB-CB 3.97Å; K968-D972 HydrophobicContact CD-CB 4.13Å; K968-D972 WeakPolarHBondContact CD-O 3.48Å; K968-D972 WeakPolarHBondContact CE-O 3.38Å; K968-D972 HydrophobicContact CG-CB 3.92Å; K968-D972 PolarHBondContact NZ-O 2.88Å; K969-D972 VanDerWaalsContact CB-OD2 3.26Å; K969-D972 WeakPolarHBondContact CB-OD2 3.38Å; K969-D972 WeakPolarHBondContact CG-OD2 3.45Å; K969-D972 PolarHBondContact N-OD2 3.4Å; K969-D972 WeakPolarHBondContact O-CB 3.33Å; K969-D972 PolarHBondContact O-N 2.89Å; P970-D972 VanDerWaalsContact C-N 3.31Å
973	A	97.1	Very high	95.1	Very high	4 Å²	4	52.9 Å²	52.9	3%	0.033	27%	0.265	C	S	.	.	S	Bend	trans	-63.3	159.5	176.9	0	0	0	0	0	112	D844 V927 P970 E971 T975	D844-A973 CarbonylContact O-C 3.57Å; D844-A973 WeakPolarHBondContact O-CA 3.43Å; D844-A973 WeakPolarHBondContact O-CB 3.5Å; V927-A973 HydrophobicContact CG2-CB 4.48Å; P970-A973 WeakPolarHBondContact O-CB 3.05Å; P970-A973 PolarHBondContact O-N 2.66Å; E971-A973 PolarHBondContact O-N 3.49Å; A973-T975 PolarHBondContact O-N 2.95Å
974	T	97.6	Very high	95	Very high	11 Å²	11	52.7 Å²	52.7	7%	0.067	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-56.5	135.4	171.4	-64.2	0	0	0	0	109.6	V843 D844 C868 Y869 Q978 I979	V843-T974 HydrophobicContact CB-CG2 4.08Å; V843-T974 HydrophobicContact CG1-CG2 3.9Å; D844-T974 PolarHBondContact N-OG1 3.38Å; D844-T974 PolarHBondContact O-N 3.13Å; C868-T974 WeakPolarHBondContact CA-O 3.41Å; C868-T974 WeakPolarHBondContact CB-O 3.45Å; Y869-T974 PolarHBondContact N-O 2.95Å; T974-Q978 HydrophobicContact CG2-CB 3.77Å; T974-I979 HydrophobicContact CG2-CD1 4.49Å; T974-I979 HydrophobicContact CG2-CG1 3.88Å
975	T	97.5	Very high	94.6	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.037	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-89.6	161.2	-172.4	73.9	0	0	0	0	112.9	Y869 E871 A973 A977 Q978 I979	Y869-T975 CarbonylContact O-C 3.58Å; Y869-T975 WeakPolarHBondContact O-CA 3.21Å; E871-T975 HydrophobicContact CG-CG2 3.96Å; A973-T975 PolarHBondContact O-N 2.95Å; T975-A977 VanDerWaalsContact C-N 3.29Å; T975-A977 PolarHBondContact O-N 3.24Å; T975-Q978 VanDerWaalsContact N-OE1 3.13Å; T975-Q978 PolarHBondContact O-N 2.96Å; T975-Q978 VanDerWaalsContact O-N 3.15Å; T975-Q978 WeakPolarHBondContact OG1-CG 3.22Å; T975-Q978 PolarHBondContact OG1-N 3.27Å; T975-I979 PolarHBondContact O-N 2.63Å
976	G	93.9	Very high	94	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-53.9	-45.1	172.8	0	0	0	0	0	112.5	Y869 A944 Q978 I979 A980	Y869-G976 PolarHBondContact O-N 3.33Å; A944-G976 WeakPolarHBondContact CB-O 3.2Å; G976-Q978 PolarHBondContact O-N 3.26Å; G976-I979 PolarHBondContact O-N 3.48Å; G976-A980 PolarHBondContact O-N 2.82Å
977	A	94.1	Very high	93.3	Very high	51 Å²	51	51.8 Å²	51.8	42%	0.421	26%	0.257	S	S	.	.	H	α-helix	trans	-60.5	-43.2	175.6	0	0	0	0	0	112.4	M947 T975 I979 A980 D981	M947-A977 HydrophobicContact SD-CB 4.47Å; T975-A977 VanDerWaalsContact C-N 3.29Å; T975-A977 PolarHBondContact O-N 3.24Å; A977-I979 VanDerWaalsContact C-N 3.31Å; A977-I979 PolarHBondContact O-N 2.89Å; A977-A980 WeakPolarHBondContact O-CB 3.35Å; A977-A980 PolarHBondContact O-N 3.31Å; A977-D981 WeakPolarHBondContact O-CB 3.24Å; A977-D981 PolarHBondContact O-N 3.27Å
978	Q	95	Very high	92.3	Very high	94 Å²	94	48.3 Å²	48.3	44%	0.439	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-37.1	175.7	-70.8	167.1	8	0	0	112.3	T974 T975 G976 D981 L982	T974-Q978 HydrophobicContact CG2-CB 3.77Å; T975-Q978 VanDerWaalsContact N-OE1 3.13Å; T975-Q978 PolarHBondContact O-N 2.96Å; T975-Q978 VanDerWaalsContact O-N 3.15Å; T975-Q978 WeakPolarHBondContact OG1-CG 3.22Å; T975-Q978 PolarHBondContact OG1-N 3.27Å; G976-Q978 PolarHBondContact O-N 3.26Å; Q978-D981 WeakPolarHBondContact O-CB 3.29Å; Q978-D981 PolarHBondContact O-N 3.35Å; Q978-L982 VanDerWaalsContact O-CG 3.32Å; Q978-L982 WeakPolarHBondContact O-CG 3.25Å; Q978-L982 PolarHBondContact O-N 2.86Å
979	I	94.9	Very high	91.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-40	175.3	-70.5	-178.2	0	0	0	111.6	L845 C868 V879 L935 A944 I954 T974 T975 G976 A977 D981 L982 Y983	L845-I979 HydrophobicContact CD2-CD1 4.32Å; C868-I979 HydrophobicContact CB-CD1 3.57Å; V879-I979 HydrophobicContact CG1-CD1 4.26Å; V879-I979 HydrophobicContact CG2-CD1 3.7Å; L935-I979 HydrophobicContact CD2-CG2 4Å; A944-I979 HydrophobicContact CB-CG2 4.48Å; I954-I979 HydrophobicContact CB-CG2 3.71Å; I954-I979 HydrophobicContact CD1-CG2 4.17Å; I954-I979 HydrophobicContact CG2-CG2 3.59Å; T974-I979 HydrophobicContact CG2-CD1 4.49Å; T974-I979 HydrophobicContact CG2-CG1 3.88Å; T975-I979 PolarHBondContact O-N 2.63Å; G976-I979 PolarHBondContact O-N 3.48Å; A977-I979 VanDerWaalsContact C-N 3.31Å; A977-I979 PolarHBondContact O-N 2.89Å; I979-D981 VanDerWaalsContact C-N 3.33Å; I979-L982 PolarHBondContact O-N 3.11Å; I979-Y983 WeakPolarHBondContact O-CB 3.44Å; I979-Y983 PolarHBondContact O-N 2.99Å
980	A	93.6	Very high	91.1	Very high	3 Å²	3	45.8 Å²	45.8	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-41.8	172.6	0	0	0	0	0	111.9	A944 M947 V948 I954 G976 A977 Y983 K984	A944-A980 HydrophobicContact CB-CB 4.15Å; M947-A980 HydrophobicContact CB-CB 3.89Å; M947-A980 HydrophobicContact SD-CB 4.29Å; V948-A980 HydrophobicContact CG2-CB 3.93Å; I954-A980 HydrophobicContact CD1-CB 4.37Å; G976-A980 PolarHBondContact O-N 2.82Å; A977-A980 WeakPolarHBondContact O-CB 3.35Å; A977-A980 PolarHBondContact O-N 3.31Å; A980-Y983 PolarHBondContact O-N 3.29Å; A980-K984 VanDerWaalsContact O-CG 3.29Å; A980-K984 WeakPolarHBondContact O-CG 3.46Å; A980-K984 PolarHBondContact O-N 2.95Å
981	D	92.8	Very high	90.2	Very high	78 Å²	78	47.9 Å²	47.9	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-44.6	177.9	-111.8	36.5	0	0	0	112.8	A977 Q978 I979 K984 K985	A977-D981 WeakPolarHBondContact O-CB 3.24Å; A977-D981 PolarHBondContact O-N 3.27Å; Q978-D981 WeakPolarHBondContact O-CB 3.29Å; Q978-D981 PolarHBondContact O-N 3.35Å; I979-D981 VanDerWaalsContact C-N 3.33Å; D981-K984 PolarHBondContact O-N 3.3Å; D981-K985 WeakPolarHBondContact O-CB 3.36Å; D981-K985 VanDerWaalsContact O-CD 3.26Å; D981-K985 WeakPolarHBondContact O-CD 3.13Å; D981-K985 WeakPolarHBondContact O-CG 3.45Å; D981-K985 PolarHBondContact O-N 2.83Å; D981-K985 VanDerWaalsContact O-N 3.11Å; D981-K985 IonicContact OD2-NZ 2.66Å; D981-K985 PolarHBondContact OD2-NZ 2.85Å
982	L	91.8	Very high	89	Confident	34 Å²	34	46 Å²	46	18%	0.178	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-44.6	174.6	-71.1	173.5	0	0	0	110.8	D841 V843 L935 Q978 I979 K984 K985 Q986	D841-L982 HydrophobicContact CB-CD2 4.4Å; V843-L982 HydrophobicContact CG1-CD1 3.57Å; L935-L982 HydrophobicContact CD1-CB 3.94Å; L935-L982 HydrophobicContact CD2-CB 3.86Å; Q978-L982 VanDerWaalsContact O-CG 3.32Å; Q978-L982 WeakPolarHBondContact O-CG 3.25Å; Q978-L982 PolarHBondContact O-N 2.86Å; I979-L982 PolarHBondContact O-N 3.11Å; L982-K984 VanDerWaalsContact C-N 3.35Å; L982-K984 PolarHBondContact O-N 3.39Å; L982-K985 PolarHBondContact O-N 2.66Å; L982-K985 VanDerWaalsContact O-N 3.15Å; L982-Q986 PolarHBondContact O-N 3.39Å
983	Y	91.1	Very high	87.1	Confident	22 Å²	22	44.3 Å²	44.3	9%	0.086	23%	0.233	C	C	.	.	H	α-helix	trans	-58.1	-44.3	176.5	178.8	-88.3	0	0	0	112.6	L935 L937 V948 I954 I979 A980 K985 Q986 I989	L935-Y983 HydrophobicContact CB-CD2 3.96Å; L935-Y983 WeakPolarHBondContact O-CD2 3.44Å; L935-Y983 WeakPolarHBondContact O-CE2 3.28Å; L937-Y983 HydrophobicContact CG-CE2 4.2Å; V948-Y983 HydrophobicContact CG1-CD1 3.71Å; V948-Y983 HydrophobicContact CG1-CE1 3.53Å; V948-Y983 HydrophobicContact CG2-CD1 4.19Å; I954-Y983 HydrophobicContact CD1-CG 4.14Å; I954-Y983 HydrophobicContact CG2-CD2 4.28Å; I979-Y983 WeakPolarHBondContact O-CB 3.44Å; I979-Y983 PolarHBondContact O-N 2.99Å; A980-Y983 PolarHBondContact O-N 3.29Å; Y983-K985 VanDerWaalsContact C-N 3.3Å; Y983-K985 PolarHBondContact O-N 3.18Å; Y983-Q986 VanDerWaalsContact CD2-NE2 3.26Å; Y983-Q986 WeakPolarHBondContact O-CB 3.47Å; Y983-Q986 WeakPolarHBondContact O-CG 3.32Å; Y983-Q986 PolarHBondContact O-N 3.25Å; Y983-Q986 PolarHBondContact O-NE2 2.83Å; Y983-Q986 VanDerWaalsContact O-NE2 3.09Å; Y983-I989 HydrophobicContact CE1-CD1 4.07Å; Y983-I989 HydrophobicContact CE1-CG1 4.01Å; Y983-I989 HydrophobicContact CE1-CG2 4.11Å; Y983-I989 HydrophobicContact CE2-CD1 4.25Å; Y983-I989 HydrophobicContact CE2-CG1 4.4Å; Y983-I989 VanDerWaalsContact OH-CD1 3.31Å; Y983-I989 WeakPolarHBondContact OH-CD1 3.14Å
984	K	89.8	Confident	84.7	Confident	99 Å²	99	53.8 Å²	53.8	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-68.7	-23	178.4	-69.3	170.6	-168.2	179.1	0	113.5	M947 A980 D981 L982 Q990	M947-K984 WeakPolarHBondContact O-CE 3.24Å; M947-K984 PolarHBondContact O-NZ 3.17Å; A980-K984 VanDerWaalsContact O-CG 3.29Å; A980-K984 WeakPolarHBondContact O-CG 3.46Å; A980-K984 PolarHBondContact O-N 2.95Å; D981-K984 PolarHBondContact O-N 3.3Å; L982-K984 VanDerWaalsContact C-N 3.35Å; L982-K984 PolarHBondContact O-N 3.39Å; K984-Q990 WeakPolarHBondContact O-CG 3.06Å
985	K	88.9	Confident	82	Confident	113 Å²	113	61.6 Å²	61.6	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-83.3	-10.1	179	-73.2	161.6	-164.9	162.8	0	113.9	D981 L982 Y983 Q987	D981-K985 WeakPolarHBondContact O-CB 3.36Å; D981-K985 VanDerWaalsContact O-CD 3.26Å; D981-K985 WeakPolarHBondContact O-CD 3.13Å; D981-K985 WeakPolarHBondContact O-CG 3.45Å; D981-K985 PolarHBondContact O-N 2.83Å; D981-K985 VanDerWaalsContact O-N 3.11Å; D981-K985 IonicContact OD2-NZ 2.66Å; D981-K985 PolarHBondContact OD2-NZ 2.85Å; L982-K985 PolarHBondContact O-N 2.66Å; L982-K985 VanDerWaalsContact O-N 3.15Å; Y983-K985 VanDerWaalsContact C-N 3.3Å; Y983-K985 PolarHBondContact O-N 3.18Å; K985-Q987 PolarHBondContact O-N 2.74Å
986	Q	83.7	Confident	79	Confident	22 Å²	22	65.1 Å²	65.1	10%	0.103	34%	0.339	C	S	.	.			trans	-64.4	129.2	176.7	-62.1	-179.7	107.3	0	0	111.1	L935 L982 Y983 Q988 I989 Q990	L935-Q986 PolarHBondContact O-NE2 3.47Å; L935-Q986 PolarHBondContact O-OE1 2.9Å; L982-Q986 PolarHBondContact O-N 3.39Å; Y983-Q986 VanDerWaalsContact CD2-NE2 3.26Å; Y983-Q986 WeakPolarHBondContact O-CB 3.47Å; Y983-Q986 WeakPolarHBondContact O-CG 3.32Å; Y983-Q986 PolarHBondContact O-N 3.25Å; Y983-Q986 PolarHBondContact O-NE2 2.83Å; Y983-Q986 VanDerWaalsContact O-NE2 3.09Å; Q986-Q988 VanDerWaalsContact C-N 3.26Å; Q986-Q988 PolarHBondContact O-N 3.42Å; Q986-I989 HydrophobicContact CB-CB 4.38Å; Q986-I989 HydrophobicContact CB-CG1 3.99Å; Q986-I989 WeakPolarHBondContact O-CA 3.42Å; Q986-I989 PolarHBondContact O-N 2.96Å; Q986-Q990 PolarHBondContact O-N 3.05Å
987	Q	79.9	Confident	76.1	Confident	66 Å²	66	69.7 Å²	69.7	31%	0.308	36%	0.363	S	S	.	.	H	α-helix	trans	-54.9	-42.1	179.7	-65.4	-63.6	-78.8	0	0	112.1	V801 K985 I989 Q990 N991	V801-Q987 HydrophobicContact CG1-CG 4.31Å; V801-Q987 WeakPolarHBondContact O-CB 3.46Å; K985-Q987 PolarHBondContact O-N 2.74Å; Q987-I989 PolarHBondContact O-N 3.06Å; Q987-I989 VanDerWaalsContact O-N 3.14Å; Q987-Q990 PolarHBondContact O-N 3.08Å; Q987-N991 WeakPolarHBondContact O-CB 3.22Å; Q987-N991 PolarHBondContact O-N 3.32Å; Q987-N991 PolarHBondContact O-ND2 2.83Å
988	Q	75.9	Confident	73.6	Confident	27 Å²	27	72.1 Å²	72.1	13%	0.126	38%	0.375	C	S	.	.	H	α-helix	trans	-56.5	-28.4	175.2	-71.7	-169.1	-6.9	0	0	113.9	D656 P720 S804 Q986 Q992	D656-Q988 PolarHBondContact OD2-NE2 2.94Å; P720-Q988 HydrophobicContact CG-CB 4.31Å; S804-Q988 PolarHBondContact O-NE2 3.13Å; Q986-Q988 VanDerWaalsContact C-N 3.26Å; Q986-Q988 PolarHBondContact O-N 3.42Å; Q988-Q992 PolarHBondContact O-NE2 3.44Å
989	I	82.4	Confident	70.7	Confident	40 Å²	40	75.7 Å²	75.7	21%	0.205	39%	0.391	C	S	.	.	H	α-helix	trans	-87.9	-43.9	177.7	-57.4	-54.9	0	0	0	110.4	Y983 Q986 Q987 N991 Q992	Y983-I989 HydrophobicContact CE1-CD1 4.07Å; Y983-I989 HydrophobicContact CE1-CG1 4.01Å; Y983-I989 HydrophobicContact CE1-CG2 4.11Å; Y983-I989 HydrophobicContact CE2-CD1 4.25Å; Y983-I989 HydrophobicContact CE2-CG1 4.4Å; Y983-I989 VanDerWaalsContact OH-CD1 3.31Å; Y983-I989 WeakPolarHBondContact OH-CD1 3.14Å; Q986-I989 HydrophobicContact CB-CB 4.38Å; Q986-I989 HydrophobicContact CB-CG1 3.99Å; Q986-I989 WeakPolarHBondContact O-CA 3.42Å; Q986-I989 PolarHBondContact O-N 2.96Å; Q987-I989 PolarHBondContact O-N 3.06Å; Q987-I989 VanDerWaalsContact O-N 3.14Å; I989-N991 VanDerWaalsContact C-N 3.29Å; I989-N991 PolarHBondContact O-N 3.4Å; I989-Q992 PolarHBondContact O-N 2.68Å
990	Q	84.1	Confident	67.8	Low	101 Å²	101	81.9 Å²	81.9	47%	0.472	42%	0.424	S	S	.	.	H	α-helix	trans	-58.2	-41.4	176.4	-65.9	-174.9	-23.7	0	0	112	K984 Q986 Q987 Q992 G993	K984-Q990 WeakPolarHBondContact O-CG 3.06Å; Q986-Q990 PolarHBondContact O-N 3.05Å; Q987-Q990 PolarHBondContact O-N 3.08Å; Q990-Q992 PolarHBondContact O-N 3.43Å; Q990-G993 PolarHBondContact O-N 3.11Å; Q990-G993 VanDerWaalsContact O-N 3.11Å
991	N	78.8	Confident	65.4	Low	58 Å²	58	89.8 Å²	89.8	31%	0.31	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.2	176.9	-69.1	-12.8	0	0	0	113.9	Q717 R802 S804 Q987 I989 G993	Q717-N991 PolarHBondContact NE2-O 3.08Å; Q717-N991 PolarHBondContact OE1-O 2.84Å; R802-N991 PolarHBondContact O-ND2 3.44Å; S804-N991 PolarHBondContact OG-ND2 2.82Å; S804-N991 VanDerWaalsContact OG-ND2 3.09Å; Q987-N991 WeakPolarHBondContact O-CB 3.22Å; Q987-N991 PolarHBondContact O-N 3.32Å; Q987-N991 PolarHBondContact O-ND2 2.83Å; I989-N991 VanDerWaalsContact C-N 3.29Å; I989-N991 PolarHBondContact O-N 3.4Å; N991-G993 VanDerWaalsContact C-N 3.35Å
992	Q	69.8	Low	62.6	Low	56 Å²	56	97.8 Å²	97.8	26%	0.262	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-19.6	176.4	-72.8	171.6	79.8	0	0	112.9	K715 P720 Q988 I989 Q990	K715-Q992 PolarHBondContact NZ-O 2.84Å; P720-Q992 VanDerWaalsContact CG-NE2 3.33Å; Q988-Q992 PolarHBondContact O-NE2 3.44Å; I989-Q992 PolarHBondContact O-N 2.68Å; Q990-Q992 PolarHBondContact O-N 3.43Å
993	G	57.4	Low	61.1	Low	45 Å²	45	101 Å²	101	46%	0.464	50%	0.496	S	S	.	.			trans	84.3	153.2	175.7	0	0	0	0	0	114.6	Q990 N991 K995	Q990-G993 PolarHBondContact O-N 3.11Å; Q990-G993 VanDerWaalsContact O-N 3.11Å; N991-G993 VanDerWaalsContact C-N 3.35Å; G993-K995 PolarHBondContact O-N 2.73Å
994	E	45.3	Very low	59.6	Low	203 Å²	203	105.1 Å²	105.1	95%	0.949	52%	0.517	S	S	*	.	S	Bend	trans	-74.6	64.6	175.8	-67.4	-167.6	145.6	0	0	112.5
995	K	42.5	Very low	57.9	Low	175 Å²	175	105.4 Å²	105.4	76%	0.761	52%	0.522	S	S	*	.			trans	-178	100	153.1	-103.7	165.7	-175.7	-170.9	0	109.4	G993	G993-K995 PolarHBondContact O-N 2.73Å
996	A	33.7	Very low	56.1	Low	79 Å²	79	105 Å²	105	65%	0.653	52%	0.524	S	S	*	.			trans	-99.5	115.8	143.1	0	0	0	0	0	105.3
997	D	33.8	Very low	54.3	Low	98 Å²	98	110.2 Å²	110.2	52%	0.524	55%	0.55	S	S	.	*			trans	-74.6	134	173.4	-129.2	-47.3	0	0	0	108	E999 D1000	D997-E999 PolarHBondContact O-N 2.66Å; D997-D1000 PolarHBondContact O-N 2.74Å
998	P	40.3	Very low	52.6	Low	102 Å²	102	113.1 Å²	113.1	66%	0.662	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-61.8	-14	-173.2	-27.2	36.8	0	0	0	115.5
999	E	34.3	Very low	51	Low	169 Å²	169	119.3 Å²	119.3	79%	0.79	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-76.9	-22.2	-178.8	-58.2	-156.7	148.1	0	0	114	D997 Y1001	D997-E999 PolarHBondContact O-N 2.66Å; E999-Y1001 PolarHBondContact O-N 2.76Å
1000	D	35	Very low	48.6	Very low	130 Å²	130	125.4 Å²	125.4	70%	0.695	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-68.6	-4.9	-176.6	-80.9	-30.2	0	0	0	114.8	D997	D997-D1000 PolarHBondContact O-N 2.74Å
1001	Y	41.7	Very low	45.6	Very low	169 Å²	169	127.4 Å²	127.4	66%	0.663	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-106.9	4.4	-169.2	-88.2	-82.2	0	0	0	116.8	E999	E999-Y1001 PolarHBondContact O-N 2.76Å
1002	Y	34.8	Very low	42.6	Very low	245 Å²	245	133.7 Å²	133.7	96%	0.961	67%	0.671	S	S	*	*			trans	-90.8	0	178.4	-75.6	-81.9	0	0	0	115.1	K738	K738-Y1002 PolarHBondContact NZ-O 2.89Å

Retrieved 1,002 of 1,002 residues in 1727.3 ms (Link to these results)

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