A0A087YJS3_POEFO Loading...

Tight junction protein 2a (zona occludens 2)

AlphaFold DB , UniProt , Accession A0A087YJS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,263 aa.

						>A0A087YJS3_POEFO|A0A087YJS3
MQAAMGVVPLNKRELMPPGRKLWRPPGDQGCSDQTSTDLLKSSRKFCWSREAQYLYLRRLSSRSLSAITMNPVMEQTVWEQYTVTLQRDSKMGFGIAVSGGRDNPNEDTGETSIVVSDVLQGGPAEGLLFEKDRVVLVNNTPMEGALHSFAVQTLRKCGKTAKITVKRAKRVPVSVMPRPASPEVFSNDNYSDYNYEPDRRSMTSGRDNSLERRGYDDRNYDRNYDRGRSAERDLSPNRGYRRDGSRGRTLDRDYSPDRRYRSERTLDRDYSPDRRYRSERTLDRDYSPEPRYRSERALDRAPSPEPRYRSERALDRAPSPEPRYGRDGYSPGRGQRRDPSFERGRDRDRDPRYNEPVRRTASRDRLDRSPSPPAAPIPLPRPGRDQEPLEKPVNVLLLKNHPNEEYGLRLGSQLFIKEMTSSGLAGRDGNLQEGDIILKINGTVTENLSLGDAGKLIEKSRGRLQLVVQRDRRQILIRIPPMVDSDSELDDISEIESYRSYSPQERGHPSDLSSHSSNERLRDKPRDDPSSRLAKMGAMPTPLKSLERHEDSSPLPPERDETRSVSPPAAAVAPRVQVPPKVPLKPSLEDQEVYGPNTIMVRFKKGDSVGLRLAGGNDVGIFIAGVQEDSAAEQEGLRTGDQIVKVNSVDFRGMVREDAVLYLLDIPKGEDVTILAQSKPEVYEDVLASGRGDSFYIRTHFEYEKEAPQSLPFGRGEIFKVTDTLYDGKLGHWLAIRMDQDNQSPEVKKGIIPNKSRAEQMANVQNAARAASGNDRGDFWRLRGQRAAKKKDLRKSREDLSTAPVTTKFPAYERVVLREAGFRRPVVIFGPISDVVNEKLANDLPNEFVIAKTEPKDAGSEKSSGVVRLNTIREIIEQDLHALLDVTPKAVDTLNYTQWYPIVVFLNPDSKQGVKTMRTRLIPGSNRSARKLYEQAVRLKKTCSHLFTATIDLNSSNDAWYGSVKDSIREQQQKAVWVSEGKMDGSEEDLDLQDDRMSYLSAMSADYLSMDSRLTSDYDDTADEGGAYTDNELDEPLDDPTPVSAISRSSEPVLPEEPRRAKRPGSREVLNRDPSPPPSFVPEPPKVRAQARTDSVRSYESHSSSTISSIDAVAASRPAPPPVALKPNIARLHQAPEEPAPANPQEEEDPANKSFLGKIKAFEKMDHLARAQRLLELQEAENARLEIAQKHPDIYAVPVKLPKPNQNRPQPIGSNAEPQTMSRPAYSETRGNEDTEAEYRRQLADQTRRGYYNPQKYKDTEL
					

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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	35.8	Very low	31	Very low	213 Å²	213	128.7 Å²	128.7	100%	1.049	77%	0.773	S	S	*	*				0	-82.7	0	-66.6	176.8	-173.8	0	0	111.4	A3 A4	M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.34Å; M1-A3 VanDerWaalsContact O-N 3.09Å; M1-A4 WeakPolarHBondContact O-CB 3.43Å; M1-A4 PolarHBondContact O-N 3.13Å
2	Q	30.1	Very low	31.1	Very low	169 Å²	169	135.9 Å²	135.9	79%	0.79	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-51.2	-40.7	-172.4	-73.8	177.9	-12.5	0	0	115.6	A4 M5	Q2-A4 PolarHBondContact O-N 3.34Å; Q2-A4 VanDerWaalsContact O-N 3.15Å; Q2-M5 PolarHBondContact O-N 3.31Å
3	A	27.3	Very low	31	Very low	107 Å²	107	143.5 Å²	143.5	88%	0.884	79%	0.794	S	S	*	*	G	3₁₀ helix	trans	-61.1	-20.4	176.7	0	0	0	0	0	114.7	M1	M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.34Å; M1-A3 VanDerWaalsContact O-N 3.09Å
4	A	34	Very low	31	Very low	94 Å²	94	146.4 Å²	146.4	78%	0.777	80%	0.798	S	S	*	*	G	3₁₀ helix	trans	-86.8	-3	177.2	0	0	0	0	0	113.7	M1 Q2	M1-A4 WeakPolarHBondContact O-CB 3.43Å; M1-A4 PolarHBondContact O-N 3.13Å; Q2-A4 PolarHBondContact O-N 3.34Å; Q2-A4 VanDerWaalsContact O-N 3.15Å
5	M	36.8	Very low	30.9	Very low	113 Å²	113	148.1 Å²	148.1	56%	0.557	81%	0.806	S	S	*	*	S	Bend	trans	-99.6	-10.1	-177.6	-51.7	-158.3	-36.2	0	0	114.5	Q2 V7	Q2-M5 PolarHBondContact O-N 3.31Å; M5-V7 HydrophobicContact CB-CG2 4.14Å; M5-V7 HydrophobicContact CE-CG2 4.45Å; M5-V7 PolarHBondContact O-N 3.48Å
6	G	31.2	Very low	30.9	Very low	64 Å²	64	149.7 Å²	149.7	66%	0.66	81%	0.808	S	S	*	*			trans	60.3	37.6	176.1	0	0	0	0	0	114.9
7	V	32	Very low	31	Very low	100 Å²	100	147.4 Å²	147.4	61%	0.606	80%	0.803	S	S	*	*			trans	-104.1	107.8	-177.3	-174.8	0	0	0	0	111.4	M5	M5-V7 HydrophobicContact CB-CG2 4.14Å; M5-V7 HydrophobicContact CE-CG2 4.45Å; M5-V7 PolarHBondContact O-N 3.48Å
8	V	27.9	Very low	31.2	Very low	120 Å²	120	146.3 Å²	146.3	73%	0.727	81%	0.805	S	S	*	*			trans	-93	133.5	160.7	179	0	0	0	0	107.9	L10	V8-L10 PolarHBondContact O-N 2.87Å
9	P	28.2	Very low	31.1	Very low	119 Å²	119	142.8 Å²	142.8	77%	0.773	81%	0.806	S	S	*	*			trans	-73.1	116.5	-179	28.4	-34	0	0	0	111.5
10	L	29.6	Very low	31.1	Very low	162 Å²	162	148.3 Å²	148.3	85%	0.848	81%	0.813	S	S	*	*			trans	-109.5	133.4	169.1	-87.2	165.2	0	0	0	110.5	V8 K12	V8-L10 PolarHBondContact O-N 2.87Å; L10-K12 PolarHBondContact O-N 2.87Å
11	N	27.9	Very low	31.1	Very low	155 Å²	155	150.8 Å²	150.8	83%	0.829	82%	0.816	S	S	*	*			trans	-73.8	120.3	-174.1	-72.6	-52.7	0	0	0	111.8	R13	N11-R13 VanDerWaalsContact C-N 3.29Å; N11-R13 PolarHBondContact O-N 2.95Å
12	K	32	Very low	30.8	Very low	215 Å²	215	148.4 Å²	148.4	94%	0.935	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	79.2	169.6	-71.4	-173	176	-177.2	0	111.3	L10	L10-K12 PolarHBondContact O-N 2.87Å
13	R	29.8	Very low	30.6	Very low	234 Å²	234	152.4 Å²	152.4	88%	0.883	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142	-8.2	172.3	-110.7	-177.3	-173.6	-175.5	2.4	117.2	N11	N11-R13 VanDerWaalsContact C-N 3.29Å; N11-R13 PolarHBondContact O-N 2.95Å
14	E	31.2	Very low	30.7	Very low	184 Å²	184	157.7 Å²	157.7	86%	0.86	81%	0.812	S	S	*	*	S	Bend	trans	-125.1	89.2	-179.5	-68.8	179.7	-174.6	0	0	110.6
15	L	30.4	Very low	30.4	Very low	173 Å²	173	158.7 Å²	158.7	91%	0.906	81%	0.81	S	S	*	*			trans	171.1	77.4	151.5	-96	163	0	0	0	110
16	M	30	Very low	30.5	Very low	173 Å²	173	159.5 Å²	159.5	85%	0.852	82%	0.824	S	S	*	*			trans	-144.6	122	164.6	-84.4	-64.2	-71.9	0	0	108.7
17	P	33.2	Very low	30.3	Very low	111 Å²	111	159.8 Å²	159.8	72%	0.721	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-72.5	153.5	172.7	30.2	-33.5	0	0	0	111.4
18	P	34	Very low	30.2	Very low	128 Å²	128	161.9 Å²	161.9	83%	0.831	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-75.4	134	-172	29.4	-35.1	0	0	0	113.2
19	G	30.1	Very low	30.2	Very low	80 Å²	80	164.6 Å²	164.6	83%	0.825	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-69.2	138.3	-178.5	0	0	0	0	0	114.4
20	R	30.1	Very low	30.1	Very low	251 Å²	251	162.6 Å²	162.6	95%	0.947	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-90.7	150.6	170.2	-70.4	-172.6	172.4	-142.8	-1.5	111.3
21	K	30.9	Very low	29.8	Very low	201 Å²	201	160.6 Å²	160.6	87%	0.874	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-90	161.2	-177.8	-66.9	179.9	179.8	176.4	0	112.1
22	L	29.5	Very low	29.9	Very low	164 Å²	164	159 Å²	159	86%	0.859	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-56.7	152.1	-176.5	-67.2	73.2	0	0	0	113.7
23	W	26.2	Very low	29.7	Very low	252 Å²	252	154.4 Å²	154.4	96%	0.955	83%	0.826	S	S	*	*			trans	-125.5	153.8	148.7	-103.7	70.9	0	0	0	109.8
24	R	28.8	Very low	29.6	Very low	219 Å²	219	150.7 Å²	150.7	83%	0.826	82%	0.818	S	S	*	*			trans	-98	156.2	175.3	-62.8	-177	-179.1	-177	0.9	110.7
25	P	29.3	Very low	29.5	Very low	114 Å²	114	147.4 Å²	147.4	74%	0.74	81%	0.811	S	S	*	*			trans	-71	150.5	152.2	33.1	-33.6	0	0	0	111
26	P	37.9	Very low	29.2	Very low	131 Å²	131	143.9 Å²	143.9	85%	0.851	80%	0.801	S	S	*	*			trans	-76.2	-170.4	160.9	36.3	-35.2	0	0	0	110.2
27	G	27.7	Very low	29.1	Very low	70 Å²	70	140.9 Å²	140.9	72%	0.722	79%	0.792	S	S	*	*			trans	-160.2	-153.4	175.1	0	0	0	0	0	113.2
28	D	29.2	Very low	28.7	Very low	144 Å²	144	141.5 Å²	141.5	77%	0.77	79%	0.79	S	S	*	*			trans	90.5	150.5	172.3	-156.9	28.7	0	0	0	118.5
29	Q	27.9	Very low	28.5	Very low	176 Å²	176	142 Å²	142	82%	0.822	79%	0.785	S	S	*	*			trans	68	137.2	169.4	-73	157.8	58.2	0	0	120.8
30	G	26.6	Very low	28.4	Very low	78 Å²	78	143.8 Å²	143.8	80%	0.804	78%	0.775	S	S	*	*			trans	147.6	60.6	172.4	0	0	0	0	0	116.1
31	C	23.9	Very low	28.6	Very low	119 Å²	119	141 Å²	141	80%	0.804	77%	0.769	S	S	*	*			trans	-79.9	146.4	178.6	-73.1	0	0	0	0	113.9
32	S	28.3	Very low	28.4	Very low	122 Å²	122	136 Å²	136	85%	0.853	76%	0.76	S	S	*	*			trans	-155.3	78.6	149.7	-14	0	0	0	0	111.1
33	D	28	Very low	28.2	Very low	118 Å²	118	133.8 Å²	133.8	63%	0.631	76%	0.758	S	S	*	*			trans	13.7	136.1	143.5	-75.3	-71.7	0	0	0	123.8
34	Q	28.9	Very low	28.2	Very low	156 Å²	156	132.1 Å²	132.1	73%	0.729	75%	0.752	S	S	*	*			trans	75.5	145.2	131.5	-65.5	169.7	47.2	0	0	118.9
35	T	27.7	Very low	28.1	Very low	115 Å²	115	130.8 Å²	130.8	71%	0.706	75%	0.752	S	S	*	*			cis	-155.1	154	9.3	-9.9	0	0	0	0	112.6
36	S	25.5	Very low	27.9	Very low	100 Å²	100	134.4 Å²	134.4	70%	0.699	76%	0.756	S	S	*	*			trans	55.6	141.3	145.5	-96.8	0	0	0	0	122.9
37	T	27.4	Very low	27.5	Very low	109 Å²	109	133.6 Å²	133.6	67%	0.669	75%	0.752	S	S	*	*			cis	-164.2	162.5	-17.2	1.3	0	0	0	0	110.5
38	D	25.6	Very low	27.4	Very low	125 Å²	125	140.9 Å²	140.9	67%	0.668	76%	0.758	S	S	*	*			trans	84	109.6	141.1	-76.1	4.4	0	0	0	125.6
39	L	28.7	Very low	27.4	Very low	138 Å²	138	137.3 Å²	137.3	72%	0.723	74%	0.744	S	S	*	*				70.1	145	129.7	-49.5	178.1	0	0	0	119.9
40	L	29.3	Very low	27.7	Very low	118 Å²	118	138.9 Å²	138.9	62%	0.618	74%	0.743	S	S	*	*			cis	-159.4	138.4	-9.9	-113.9	169.8	0	0	0	112.1
41	K	33.2	Very low	28.1	Very low	192 Å²	192	141.6 Å²	141.6	84%	0.835	73%	0.734	S	S	*	*			trans	21.8	149.1	145.1	-68.5	170.3	-158.4	161.8	0	120.7
42	S	26.1	Very low	28.7	Very low	97 Å²	97	137.6 Å²	137.6	68%	0.678	71%	0.71	S	S	*	*			cis	-154.8	132	40.1	179.8	0	0	0	0	115.3
43	S	25.8	Very low	29	Very low	116 Å²	116	138.5 Å²	138.5	81%	0.811	70%	0.701	S	S	*	*			trans	-127.1	145.3	156.5	-178	0	0	0	0	108.2
44	R	26.6	Very low	29.2	Very low	218 Å²	218	141.7 Å²	141.7	82%	0.823	71%	0.705	S	S	*	*			trans	-121.7	98.2	-177.5	-75.2	-166.5	-179.4	-167.5	2.3	112.5
45	K	27.3	Very low	29.7	Very low	191 Å²	191	141.6 Å²	141.6	83%	0.83	71%	0.709	S	S	*	*			trans	-78.2	140.8	154.1	-60.4	176.8	-178.8	178.8	0	108.3
46	F	25.5	Very low	29.8	Very low	190 Å²	190	146.2 Å²	146.2	83%	0.833	72%	0.715	S	S	*	*			trans	-92.6	109.5	163.4	-104.1	-85.2	0	0	0	109.3
47	C	27.8	Very low	30.1	Very low	114 Å²	114	148.6 Å²	148.6	77%	0.77	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-83.8	134.3	162.4	-71	0	0	0	0	109
48	W	27	Very low	30.3	Very low	223 Å²	223	154.4 Å²	154.4	85%	0.845	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-77.5	144.6	156.9	-78.6	78.6	0	0	0	109.2	A52	W48-A52 HydrophobicContact CE3-CB 3.66Å; W48-A52 HydrophobicContact CZ3-CB 4.34Å
49	S	29.6	Very low	30.6	Very low	68 Å²	68	159.6 Å²	159.6	48%	0.476	74%	0.739	S	S	.	*	P	Polyproline II helix	trans	-72.5	160.4	-178.7	60.1	0	0	0	0	112.5	E51 A52	S49-E51 PolarHBondContact O-N 3.05Å; S49-A52 WeakPolarHBondContact O-CB 3.47Å; S49-A52 PolarHBondContact O-N 3.39Å; S49-A52 VanDerWaalsContact O-N 3.08Å
50	R	33.1	Very low	30.6	Very low	209 Å²	209	161.5 Å²	161.5	79%	0.789	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-22.9	-176.1	-150.4	173.6	-175	-173.1	0.6	112.6
51	E	34.5	Very low	30.6	Very low	135 Å²	135	161.3 Å²	161.3	63%	0.631	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-28.5	171	-66.4	81.2	-176.8	0	0	113.7	S49 Q53 Y54	S49-E51 PolarHBondContact O-N 3.05Å; E51-Q53 PolarHBondContact O-N 3.13Å; E51-Y54 WeakPolarHBondContact O-CB 3.44Å; E51-Y54 PolarHBondContact O-N 3.1Å
52	A	36.8	Very low	30.1	Very low	36 Å²	36	157.6 Å²	157.6	30%	0.298	76%	0.756	S	S	.	*	H	α-helix	trans	-66	-30	-178.7	0	0	0	0	0	112.4	W48 S49 Y54	W48-A52 HydrophobicContact CE3-CB 3.66Å; W48-A52 HydrophobicContact CZ3-CB 4.34Å; S49-A52 WeakPolarHBondContact O-CB 3.47Å; S49-A52 PolarHBondContact O-N 3.39Å; S49-A52 VanDerWaalsContact O-N 3.08Å; A52-Y54 VanDerWaalsContact C-N 3.25Å; A52-Y54 PolarHBondContact O-N 3.41Å
53	Q	34.8	Very low	30.2	Very low	141 Å²	141	164.8 Å²	164.8	66%	0.659	77%	0.768	S	S	*	*	H	α-helix	trans	-69.8	-21.1	172.9	-67.4	-179.8	-29.2	0	0	112.8	E51	E51-Q53 PolarHBondContact O-N 3.13Å
54	Y	32.9	Very low	30.2	Very low	184 Å²	184	163.4 Å²	163.4	72%	0.722	76%	0.758	S	S	*	*	H	α-helix	trans	-88.2	-15.4	-175.6	-96.7	-91.3	0	0	0	115	E51 A52	E51-Y54 WeakPolarHBondContact O-CB 3.44Å; E51-Y54 PolarHBondContact O-N 3.1Å; A52-Y54 VanDerWaalsContact C-N 3.25Å; A52-Y54 PolarHBondContact O-N 3.41Å
55	L	38.1	Very low	30.3	Very low	154 Å²	154	160.2 Å²	160.2	81%	0.806	76%	0.757	S	S	*	*	H	α-helix	trans	-98	-17.9	-178.9	-72.3	176.3	0	0	0	114.9
56	Y	30.9	Very low	30.2	Very low	212 Å²	212	157 Å²	157	83%	0.831	76%	0.758	S	S	*	*	H	α-helix	trans	-80.4	-28.4	171.8	-155.9	-105.3	0	0	0	112.5	R58	Y56-R58 PolarHBondContact O-N 3.32Å
57	L	31.8	Very low	30.4	Very low	151 Å²	151	152.6 Å²	152.6	79%	0.791	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	33.8	178.1	-73.6	171.9	0	0	0	114.4
58	R	30.2	Very low	30.6	Very low	231 Å²	231	154.2 Å²	154.2	87%	0.872	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141	21.9	174.9	-136.1	-178.8	-173.4	-159.3	1.1	116.9	Y56	Y56-R58 PolarHBondContact O-N 3.32Å
59	R	32.4	Very low	31	Very low	233 Å²	233	149.9 Å²	149.9	88%	0.879	76%	0.755	S	S	*	*	S	Bend	trans	-129.8	135	155	-75.2	-170.4	174	-178.7	-0.8	110.1
60	L	29	Very low	30.8	Very low	179 Å²	179	155.3 Å²	155.3	94%	0.937	78%	0.775	S	S	*	*	S	Bend	trans	79.6	63.6	-174.3	-52.9	177.1	0	0	0	116.8
61	S	28.7	Very low	30.6	Very low	114 Å²	114	152.4 Å²	152.4	80%	0.797	78%	0.775	S	S	*	*			trans	-154.6	107.7	147.4	-174.1	0	0	0	0	112.5
62	S	24	Very low	30.5	Very low	114 Å²	114	151.8 Å²	151.8	80%	0.797	78%	0.783	S	S	*	*			trans	-169.4	132.9	154.9	48.3	0	0	0	0	108.6
63	R	28.2	Very low	30.4	Very low	248 Å²	248	154.6 Å²	154.6	94%	0.936	80%	0.796	S	S	*	*	S	Bend	trans	58.9	76.2	-160.6	-56.3	-175.2	178.1	-150.2	-2	112.2
64	S	24.6	Very low	30.8	Very low	86 Å²	86	155.4 Å²	155.4	60%	0.601	80%	0.801	S	S	*	*			cis	66.3	108.3	26.7	-172.6	0	0	0	0	115.4
65	L	29	Very low	31.6	Very low	152 Å²	152	151.3 Å²	151.3	80%	0.796	79%	0.789	S	S	*	*			trans	43.3	93.8	140.9	-66.8	159.2	0	0	0	118.6
66	S	26.4	Very low	31.9	Very low	123 Å²	123	150.1 Å²	150.1	86%	0.86	78%	0.779	S	S	*	*			trans	-152.4	49.1	154.6	69.3	0	0	0	0	112.4
67	A	28.1	Very low	33.7	Very low	97 Å²	97	143.3 Å²	143.3	80%	0.802	76%	0.76	S	S	*	*	S	Bend	trans	-139.8	4.1	-178.8	0	0	0	0	0	115.1
68	I	32.8	Very low	35.6	Very low	149 Å²	149	138.8 Å²	138.8	76%	0.764	74%	0.738	S	S	*	*	S	Bend	trans	-116.6	66.6	172.4	-51.2	179.4	0	0	0	108.7
69	T	35.1	Very low	38.1	Very low	131 Å²	131	132.7 Å²	132.7	80%	0.804	72%	0.715	S	S	*	*			trans	177	64.5	159.5	28.4	0	0	0	0	110.4
70	M	25.5	Very low	40.6	Very low	183 Å²	183	124.5 Å²	124.5	90%	0.901	69%	0.687	S	S	*	*			trans	-133.5	127.9	157.5	-77.9	-63.4	151.1	0	0	108.5
71	N	28.3	Very low	43.4	Very low	148 Å²	148	121.3 Å²	121.3	79%	0.791	67%	0.668	S	S	*	*			trans	-64.5	147.5	172	-70.3	-48.9	0	0	0	109.3	V73	N71-V73 PolarHBondContact O-N 3.15Å
72	P	33	Very low	46.3	Very low	122 Å²	122	120 Å²	120	79%	0.792	65%	0.646	S	S	*	*			trans	-66.3	98.6	172.9	28.1	-33.5	0	0	0	109.4	M74	P72-M74 PolarHBondContact O-N 3.38Å
73	V	35.7	Very low	49.4	Very low	94 Å²	94	118.3 Å²	118.3	57%	0.57	63%	0.631	S	S	*	*			trans	-58.7	122.1	164.2	177.2	0	0	0	0	106.7	N71 E75 P173	N71-V73 PolarHBondContact O-N 3.15Å; V73-E75 VanDerWaalsContact C-N 3.35Å; V73-E75 PolarHBondContact O-N 3.11Å; V73-P173 HydrophobicContact CG1-CB 4.47Å
74	M	43.2	Very low	52.4	Low	158 Å²	158	107.3 Å²	107.3	78%	0.778	59%	0.591	S	S	*	*			trans	-69.1	95.2	175.3	-70.1	-174	176.6	0	0	109	P72 Q76 V174	P72-M74 PolarHBondContact O-N 3.38Å; M74-Q76 PolarHBondContact O-N 3.19Å; M74-V174 VanDerWaalsContact O-CG2 3.23Å; M74-V174 WeakPolarHBondContact O-CG2 3.45Å
75	E	48.5	Very low	55.5	Low	99 Å²	99	108.3 Å²	108.3	46%	0.463	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.7	102.1	172.9	-64.6	-177.2	108.9	0	0	109.4	V73 T77 R171	V73-E75 VanDerWaalsContact C-N 3.35Å; V73-E75 PolarHBondContact O-N 3.11Å; E75-T77 PolarHBondContact O-N 3.27Å; E75-R171 IonicContact OE1-CZ 3.92Å; E75-R171 IonicContact OE1-NH1 3.93Å; E75-R171 PolarHBondContact OE1-NH1 2.81Å; E75-R171 IonicContact OE1-NH2 2.8Å; E75-R171 IonicContact OE2-CZ 3.31Å; E75-R171 IonicContact OE2-NH1 3.55Å; E75-R171 PolarHBondContact OE2-NH1 3.14Å; E75-R171 IonicContact OE2-NH2 2.63Å; E75-R171 PolarHBondContact OE2-NH2 2.99Å
76	Q	45.7	Very low	58.4	Low	129 Å²	129	101.1 Å²	101.1	60%	0.603	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.3	124.7	176.6	-161	170.6	23.1	0	0	109.3	M74 V78 V172 V174	M74-Q76 PolarHBondContact O-N 3.19Å; Q76-V78 PolarHBondContact O-N 3.35Å; Q76-V172 PolarHBondContact N-O 3.26Å; Q76-V172 VanDerWaalsContact N-O 3.15Å; Q76-V172 PolarHBondContact O-N 2.71Å; Q76-V174 HydrophobicContact CB-CG2 4.04Å
77	T	67.5	Low	61.3	Low	68 Å²	68	102.1 Å²	102.1	42%	0.417	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	101.2	172.9	-59.4	0	0	0	0	108.6	E75 A169	E75-T77 PolarHBondContact O-N 3.27Å; T77-A169 HydrophobicContact CG2-CB 3.91Å
78	V	72.5	Confident	64.1	Low	57 Å²	57	102.8 Å²	102.8	35%	0.345	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.9	176.7	-177.5	0	0	0	0	108.3	Q76 K170 V172	Q76-V78 PolarHBondContact O-N 3.35Å; V78-K170 PolarHBondContact N-O 3.17Å; V78-K170 PolarHBondContact O-N 2.88Å; V78-K170 VanDerWaalsContact O-O 3.14Å; V78-V172 HydrophobicContact CB-CG2 4.14Å; V78-V172 HydrophobicContact CG2-CB 4.19Å; V78-V172 HydrophobicContact CG2-CG2 3.92Å
79	W	81.9	Confident	66.6	Low	102 Å²	102	98.4 Å²	98.4	39%	0.386	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	107.3	175.7	-68.5	89.7	0	0	0	109.6	R134 K167 R168 A169	W79-R134 VanDerWaalsContact CZ2-NH1 3.31Å; W79-R134 HydrophobicContact CZ3-CG 4.23Å; W79-K167 HydrophobicContact CE3-CB 3.92Å; W79-R168 WeakPolarHBondContact CA-O 3.22Å; W79-A169 HydrophobicContact CD2-CB 4.37Å; W79-A169 HydrophobicContact CE3-CB 4.04Å; W79-A169 HydrophobicContact CH2-CB 3.89Å; W79-A169 HydrophobicContact CZ2-CB 4.19Å; W79-A169 HydrophobicContact CZ3-CB 3.81Å
80	E	85.6	Confident	68.6	Low	62 Å²	62	98.1 Å²	98.1	29%	0.29	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.6	174.2	-71.7	-170.4	171.3	0	0	110.1	Y82 K167 R168 K170	E80-Y82 HydrophobicContact CB-CD2 4.46Å; E80-Y82 HydrophobicContact CB-CE2 3.69Å; E80-Y82 PolarHBondContact OE2-OH 2.6Å; E80-K167 WeakPolarHBondContact O-CA 3.47Å; E80-R168 PolarHBondContact N-O 3.09Å; E80-R168 PolarHBondContact O-N 2.91Å; E80-K170 HydrophobicContact CG-CD 4.03Å; E80-K170 VanDerWaalsContact OE1-CD 3.27Å; E80-K170 WeakPolarHBondContact OE1-CD 3.45Å; E80-K170 WeakPolarHBondContact OE1-CE 3.47Å; E80-K170 IonicContact OE1-NZ 2.87Å; E80-K170 PolarHBondContact OE1-NZ 2.67Å; E80-K170 WeakPolarHBondContact OE2-CD 3.48Å; E80-K170 IonicContact OE2-NZ 3.26Å; E80-K170 PolarHBondContact OE2-NZ 3.43Å
81	Q	88.4	Confident	71	Confident	112 Å²	112	98.9 Å²	98.9	52%	0.523	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.6	-174.8	-170.9	171.8	4.5	0	0	110.8	T165 V166	Q81-T165 HydrophobicContact CG-CG2 3.53Å; Q81-V166 CarbonylContact C-O 3.58Å; Q81-V166 VanDerWaalsContact CA-O 3.29Å; Q81-V166 WeakPolarHBondContact CA-O 3.45Å
82	Y	88.4	Confident	73.4	Confident	87 Å²	87	95.7 Å²	95.7	34%	0.341	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.1	-179.4	-63.6	-87.5	0	0	0	110.5	E80 T165 V166 R168	E80-Y82 HydrophobicContact CB-CD2 4.46Å; E80-Y82 HydrophobicContact CB-CE2 3.69Å; E80-Y82 PolarHBondContact OE2-OH 2.6Å; Y82-T165 CarbonylContact O-C 3.58Å; Y82-T165 VanDerWaalsContact O-CA 3.29Å; Y82-T165 WeakPolarHBondContact O-CA 3.5Å; Y82-V166 PolarHBondContact N-O 2.64Å; Y82-V166 PolarHBondContact O-N 3.29Å; Y82-R168 HydrophobicContact CD2-CB 3.88Å; Y82-R168 HydrophobicContact CE2-CB 3.77Å
83	T	89.1	Confident	75.9	Confident	78 Å²	78	90.9 Å²	90.9	48%	0.479	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.3	173.4	-63	0	0	0	0	110.1	K163 I164 T165	T83-K163 HydrophobicContact CG2-CD 4.23Å; T83-K163 VanDerWaalsContact CG2-CE 3.43Å; T83-K163 HydrophobicContact CG2-CG 3.72Å; T83-I164 WeakPolarHBondContact CA-O 3.46Å; T83-T165 WeakPolarHBondContact CG2-OG1 3.28Å; T83-T165 WeakPolarHBondContact OG1-CG2 3.36Å; T83-T165 PolarHBondContact OG1-OG1 2.84Å
84	V	91.1	Very high	78.5	Confident	17 Å²	17	87.3 Å²	87.3	10%	0.103	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.6	-175.5	175.3	0	0	0	0	109.1	L86 L128 L129 K163 I164	V84-L86 HydrophobicContact CG1-CD2 3.49Å; V84-L86 VanDerWaalsContact CG1-CD2 3.49Å; V84-L86 HydrophobicContact CG1-CG 4.03Å; V84-L128 HydrophobicContact CG1-CB 3.7Å; V84-L128 HydrophobicContact CG1-CD1 4Å; V84-L128 HydrophobicContact CG1-CG 4.41Å; V84-L128 HydrophobicContact CG2-CB 4.29Å; V84-L129 HydrophobicContact CB-CD2 4.16Å; V84-L129 HydrophobicContact CB-CG 4.49Å; V84-L129 HydrophobicContact CG1-CG 4.45Å; V84-L129 HydrophobicContact CG2-CD2 3.8Å; V84-L129 HydrophobicContact CG2-CG 4.39Å; V84-K163 CarbonylContact O-C 3.47Å; V84-K163 WeakPolarHBondContact O-CA 3.49Å; V84-I164 PolarHBondContact N-O 2.77Å; V84-I164 PolarHBondContact O-N 3.39Å
85	T	89.6	Confident	80.6	Confident	106 Å²	106	79.8 Å²	79.8	65%	0.65	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	102.2	171	49.5	0	0	0	0	109.9	K163	T85-K163 HydrophobicContact CG2-CB 4.14Å; T85-K163 HydrophobicContact CG2-CG 4.04Å
86	L	90.1	Very high	82.6	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.005	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141.3	175.3	-55.8	-178.9	0	0	0	110.5	V84 F94 I96 P124 A125 L128 L129 T161 A162 I164	V84-L86 HydrophobicContact CG1-CD2 3.49Å; V84-L86 VanDerWaalsContact CG1-CD2 3.49Å; V84-L86 HydrophobicContact CG1-CG 4.03Å; L86-F94 HydrophobicContact CB-CD1 3.72Å; L86-F94 HydrophobicContact CB-CE1 4.38Å; L86-F94 HydrophobicContact CD1-CB 4.02Å; L86-F94 HydrophobicContact CD1-CD1 4.48Å; L86-I96 HydrophobicContact CD1-CD1 4.28Å; L86-P124 WeakPolarHBondContact CD2-O 3.49Å; L86-A125 HydrophobicContact CD1-CB 3.95Å; L86-A125 HydrophobicContact CD2-CB 3.71Å; L86-L128 HydrophobicContact CD2-CD1 4.2Å; L86-L129 HydrophobicContact CD1-CD1 3.97Å; L86-T161 CarbonylContact O-C 3.56Å; L86-T161 VanDerWaalsContact O-CA 3.27Å; L86-T161 WeakPolarHBondContact O-CA 3.45Å; L86-A162 PolarHBondContact N-O 3.43Å; L86-A162 PolarHBondContact O-N 3.07Å; L86-I164 HydrophobicContact CD1-CD1 3.64Å; L86-I164 HydrophobicContact CD1-CG1 4.5Å; L86-I164 HydrophobicContact CG-CD1 4.42Å
87	Q	87.4	Confident	84.7	Confident	145 Å²	145	72.3 Å²	72.3	68%	0.678	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	139	167.9	-175.1	169	-31.6	0	0	109.3	D89 P124 T161	Q87-D89 PolarHBondContact O-N 2.91Å; Q87-P124 WeakPolarHBondContact O-CB 3.3Å; Q87-P124 WeakPolarHBondContact O-CG 3.29Å; Q87-T161 HydrophobicContact CB-CG2 4.48Å; Q87-T161 HydrophobicContact CG-CG2 4.46Å
88	R	86.6	Confident	85.8	Confident	111 Å²	111	70 Å²	70	42%	0.419	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-79.4	117.7	-177.5	-167.6	176.6	177.7	156.3	-5.5	110.5	G93 F94 R156 C158 G159 K160	R88-G93 CarbonylContact C-O 3.24Å; R88-G93 WeakPolarHBondContact CA-O 3.43Å; R88-F94 HydrophobicContact CB-CD1 4.12Å; R88-F94 HydrophobicContact CB-CE1 3.59Å; R88-F94 HydrophobicContact CB-CE2 4.39Å; R88-F94 HydrophobicContact CB-CZ 3.74Å; R88-F94 HydrophobicContact CG-CE1 4.28Å; R88-F94 HydrophobicContact CG-CE2 4.28Å; R88-F94 HydrophobicContact CG-CZ 4.12Å; R88-R156 PolarHBondContact NH1-O 3.07Å; R88-C158 PolarHBondContact NH1-O 3.45Å; R88-G159 WeakPolarHBondContact CD-O 3.26Å; R88-K160 PolarHBondContact N-O 2.86Å
89	D	86.1	Confident	86.5	Confident	56 Å²	56	69 Å²	69	30%	0.299	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-76.5	150.2	166	177.9	-108.9	0	0	0	111.5	Q87 K91 M92 G93 P124	Q87-D89 PolarHBondContact O-N 2.91Å; D89-K91 VanDerWaalsContact C-N 3.33Å; D89-K91 PolarHBondContact O-N 2.93Å; D89-K91 WeakPolarHBondContact OD1-CA 3.45Å; D89-K91 WeakPolarHBondContact OD1-CB 3.42Å; D89-K91 PolarHBondContact OD1-N 3.45Å; D89-M92 HydrophobicContact CB-CB 4.42Å; D89-M92 PolarHBondContact OD1-N 3.2Å; D89-G93 PolarHBondContact N-O 3.34Å; D89-G93 WeakPolarHBondContact O-CA 3.48Å; D89-G93 PolarHBondContact O-N 2.9Å; D89-G93 VanDerWaalsContact O-N 3.16Å; D89-P124 HydrophobicContact CB-CG 3.77Å
90	S	76.1	Confident	86.8	Confident	125 Å²	125	64.2 Å²	64.2	87%	0.874	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.5	-177.2	-60.5	0	0	0	0	114.1
91	K	76.3	Confident	86.8	Confident	199 Å²	199	61.3 Å²	61.3	87%	0.865	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-42	178.6	-62.6	-179.1	179	-179.2	0	112.3	D89	D89-K91 VanDerWaalsContact C-N 3.33Å; D89-K91 PolarHBondContact O-N 2.93Å; D89-K91 WeakPolarHBondContact OD1-CA 3.45Å; D89-K91 WeakPolarHBondContact OD1-CB 3.42Å; D89-K91 PolarHBondContact OD1-N 3.45Å
92	M	77.9	Confident	86.6	Confident	81 Å²	81	65.1 Å²	65.1	40%	0.399	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	1	-171.7	-60.6	-179.6	-68	0	0	113.8	D89 F94 G95 G122	D89-M92 HydrophobicContact CB-CB 4.42Å; D89-M92 PolarHBondContact OD1-N 3.2Å; M92-F94 PolarHBondContact O-N 2.94Å; M92-G95 PolarHBondContact O-N 3.29Å; M92-G95 VanDerWaalsContact O-N 3.08Å; M92-G122 VanDerWaalsContact CE-O 3.28Å; M92-G122 WeakPolarHBondContact CE-O 3.45Å
93	G	86.6	Confident	86.5	Confident	21 Å²	21	64.6 Å²	64.6	22%	0.216	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	62.5	-125.5	-179.8	0	0	0	0	0	111.4	R88 D89	R88-G93 CarbonylContact C-O 3.24Å; R88-G93 WeakPolarHBondContact CA-O 3.43Å; D89-G93 PolarHBondContact N-O 3.34Å; D89-G93 WeakPolarHBondContact O-CA 3.48Å; D89-G93 PolarHBondContact O-N 2.9Å; D89-G93 VanDerWaalsContact O-N 3.16Å
94	F	88.9	Confident	86.2	Confident	19 Å²	19	64.4 Å²	64.4	8%	0.083	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.2	175.5	-69.9	-66.9	0	0	0	113.9	L86 R88 M92 I96 A125 L155 C158 A162	L86-F94 HydrophobicContact CB-CD1 3.72Å; L86-F94 HydrophobicContact CB-CE1 4.38Å; L86-F94 HydrophobicContact CD1-CB 4.02Å; L86-F94 HydrophobicContact CD1-CD1 4.48Å; R88-F94 HydrophobicContact CB-CD1 4.12Å; R88-F94 HydrophobicContact CB-CE1 3.59Å; R88-F94 HydrophobicContact CB-CE2 4.39Å; R88-F94 HydrophobicContact CB-CZ 3.74Å; R88-F94 HydrophobicContact CG-CE1 4.28Å; R88-F94 HydrophobicContact CG-CE2 4.28Å; R88-F94 HydrophobicContact CG-CZ 4.12Å; M92-F94 PolarHBondContact O-N 2.94Å; F94-I96 VanDerWaalsContact C-N 3.33Å; F94-I96 HydrophobicContact CB-CG1 4.39Å; F94-I96 PolarHBondContact O-N 3.4Å; F94-A125 WeakPolarHBondContact O-CB 3.34Å; F94-L155 WeakPolarHBondContact CE2-O 3.15Å; F94-C158 HydrophobicContact CE2-CB 4.05Å; F94-C158 HydrophobicContact CZ-CB 3.96Å; F94-C158 WeakPolarHBondContact CZ-O 3.49Å; F94-A162 HydrophobicContact CD1-CB 4.04Å; F94-A162 HydrophobicContact CE1-CB 3.57Å; F94-A162 HydrophobicContact CE2-CB 4.12Å; F94-A162 HydrophobicContact CG-CB 4.49Å; F94-A162 HydrophobicContact CZ-CB 3.62Å
95	G	87.4	Confident	85.7	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.01	35%	0.346	C	S	.	.	S	Bend	trans	72	17.8	178.9	0	0	0	0	0	115.6	M92 V119 L120	M92-G95 PolarHBondContact O-N 3.29Å; M92-G95 VanDerWaalsContact O-N 3.08Å; G95-V119 CarbonylContact O-C 3.55Å; G95-V119 WeakPolarHBondContact O-CA 3.48Å; G95-L120 PolarHBondContact O-N 3.22Å
96	I	92.1	Very high	85.1	Confident	33 Å²	33	63.5 Å²	63.5	17%	0.169	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.9	176.1	58.3	176	0	0	0	112.1	L86 F94 V98 V116 V119 A125 L129 I164	L86-I96 HydrophobicContact CD1-CD1 4.28Å; F94-I96 VanDerWaalsContact C-N 3.33Å; F94-I96 HydrophobicContact CB-CG1 4.39Å; F94-I96 PolarHBondContact O-N 3.4Å; I96-V98 HydrophobicContact CD1-CG1 4.29Å; I96-V116 HydrophobicContact CG2-CG1 4.41Å; I96-V119 HydrophobicContact CG2-CG1 4.48Å; I96-V119 HydrophobicContact CG2-CG2 4.29Å; I96-A125 HydrophobicContact CG2-CB 3.38Å; I96-L129 HydrophobicContact CD1-CD1 4.08Å; I96-L129 HydrophobicContact CG2-CB 4.4Å; I96-L129 HydrophobicContact CG2-CD1 3.96Å; I96-I164 HydrophobicContact CD1-CD1 3.6Å
97	A	89.6	Confident	83.9	Confident	37 Å²	37	72.8 Å²	72.8	31%	0.306	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	149.2	156.3	0	0	0	0	0	109.8	S117 D118	A97-S117 VanDerWaalsContact CB-OG 3.31Å; A97-S117 WeakPolarHBondContact CB-OG 3.28Å; A97-S117 PolarHBondContact O-N 3.4Å; A97-S117 PolarHBondContact O-OG 2.98Å; A97-D118 HydrophobicContact CB-CB 4.05Å; A97-D118 PolarHBondContact N-O 3.02Å
98	V	90.6	Very high	82.6	Confident	21 Å²	21	73.3 Å²	73.3	13%	0.127	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.4	174.1	-68	0	0	0	0	110	I96 I114 V115 V135 H148 V152 L155	I96-V98 HydrophobicContact CD1-CG1 4.29Å; V98-I114 HydrophobicContact CB-CG2 4.05Å; V98-I114 HydrophobicContact CG1-CG2 4.37Å; V98-V115 CarbonylContact C-O 3.58Å; V98-V115 VanDerWaalsContact CA-O 3.23Å; V98-V115 WeakPolarHBondContact CA-O 3.36Å; V98-V135 HydrophobicContact CG1-CG2 4.36Å; V98-H148 PolarHBondContact O-CE1 2.96Å; V98-H148 VanDerWaalsContact O-CE1 3.29Å; V98-V152 HydrophobicContact CG2-CG2 4.01Å; V98-L155 HydrophobicContact CG1-CD1 4.15Å; V98-L155 HydrophobicContact CG2-CD1 3.97Å
99	S	87.5	Confident	81.5	Confident	36 Å²	36	71.8 Å²	71.8	25%	0.252	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-178.6	173.3	69.6	0	0	0	0	110.2	I114 V115	S99-I114 WeakPolarHBondContact O-CA 3.46Å; S99-V115 PolarHBondContact N-O 3Å; S99-V115 PolarHBondContact O-N 3.41Å
100	G	87	Confident	80.8	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.01	39%	0.393	C	S	.	.			trans	76	171.1	-176.8	0	0	0	0	0	113.2	N104 S113 I114 H148	G100-N104 CarbonylContact C-O 3.46Å; G100-N104 WeakPolarHBondContact CA-O 3.25Å; G100-S113 WeakPolarHBondContact CA-O 3.46Å; G100-I114 WeakPolarHBondContact O-CD1 3.36Å; G100-H148 WeakPolarHBondContact O-CB 3.44Å; G100-H148 PolarHBondContact O-ND1 2.85Å
101	G	86.1	Confident	80.7	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.364	C	S	.	.			trans	141.4	170.7	-177.2	0	0	0	0	0	111.8	N104 P105 T112 A146	G101-N104 PolarHBondContact N-O 2.84Å; G101-N104 VanDerWaalsContact N-O 3.14Å; G101-N104 CarbonylContact O-C 3.06Å; G101-N104 VanDerWaalsContact O-C 3.26Å; G101-N104 PolarHBondContact O-N 3.48Å; G101-P105 WeakPolarHBondContact O-CA 3.46Å; G101-P105 VanDerWaalsContact O-N 3.15Å; G101-T112 CarbonylContact C-O 2.95Å; G101-T112 VanDerWaalsContact C-O 3.3Å; G101-T112 WeakPolarHBondContact CA-O 3.31Å; G101-T112 WeakPolarHBondContact O-CA 3.22Å; G101-A146 WeakPolarHBondContact CA-O 3.43Å
102	R	84.3	Confident	81	Confident	192 Å²	192	62.2 Å²	62.2	73%	0.725	34%	0.342	S	S	*	.	S	Bend	trans	-71.9	-29.4	178.4	-177.4	175.4	175.7	-177.8	-1.1	113.8	A146 L147	R102-A146 PolarHBondContact N-O 3.38Å; R102-L147 HydrophobicContact CB-CD2 4.32Å
103	D	85.5	Confident	81.5	Confident	77 Å²	77	59.7 Å²	59.7	41%	0.412	33%	0.333	S	S	.	.	S	Bend	trans	-88.8	-14.2	173.9	50	-13.7	0	0	0	113.2	L147 H148 S149	D103-L147 HydrophobicContact CB-CD2 3.65Å; D103-L147 VanDerWaalsContact OD1-CA 3.29Å; D103-L147 WeakPolarHBondContact OD1-CA 3.46Å; D103-H148 VanDerWaalsContact OD1-CB 3.26Å; D103-H148 WeakPolarHBondContact OD1-CB 3.47Å; D103-H148 PolarHBondContact OD1-N 3.25Å; D103-S149 PolarHBondContact OD2-OG 3.28Å
104	N	83.3	Confident	81.7	Confident	74 Å²	74	58.8 Å²	58.8	40%	0.396	32%	0.323	S	S	.	.	S	Bend	trans	-146.4	67.5	-177.9	-171.8	16.9	0	0	0	110.5	G100 G101 H148	G100-N104 CarbonylContact C-O 3.46Å; G100-N104 WeakPolarHBondContact CA-O 3.25Å; G101-N104 PolarHBondContact N-O 2.84Å; G101-N104 VanDerWaalsContact N-O 3.14Å; G101-N104 CarbonylContact O-C 3.06Å; G101-N104 VanDerWaalsContact O-C 3.26Å; G101-N104 PolarHBondContact O-N 3.48Å; N104-H148 HydrophobicContact CB-CB 3.93Å
105	P	82	Confident	81.9	Confident	58 Å²	58	58.4 Å²	58.4	38%	0.377	32%	0.322	S	S	.	.			trans	-64	150.2	178.5	28	-34.8	0	0	0	111	G101 E107 T112	G101-P105 WeakPolarHBondContact O-CA 3.46Å; G101-P105 VanDerWaalsContact O-N 3.15Å; P105-E107 PolarHBondContact O-N 3.5Å; P105-T112 HydrophobicContact CB-CG2 4.06Å
106	N	75.5	Confident	82.1	Confident	46 Å²	46	58.4 Å²	58.4	25%	0.246	32%	0.322	C	S	.	.			trans	-64.6	124.2	178.2	-176.4	-27.4	0	0	0	111.1	D108 T109 G110 E111	N106-D108 VanDerWaalsContact C-N 3.32Å; N106-D108 PolarHBondContact O-N 3.1Å; N106-D108 PolarHBondContact OD1-N 3.16Å; N106-T109 PolarHBondContact O-N 3.19Å; N106-G110 WeakPolarHBondContact O-CA 3.45Å; N106-G110 PolarHBondContact O-N 3.38Å; N106-E111 PolarHBondContact N-O 3.29Å
107	E	65.4	Low	82	Confident	196 Å²	196	59.3 Å²	59.3	92%	0.916	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-34.6	-176.1	-61.2	-176.6	142.7	0	0	113.3	P105	P105-E107 PolarHBondContact O-N 3.5Å
108	D	59.5	Low	81.9	Confident	155 Å²	155	61 Å²	61	83%	0.829	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-26.2	-178.9	-77.4	-37.9	0	0	0	113.7	N106	N106-D108 VanDerWaalsContact C-N 3.32Å; N106-D108 PolarHBondContact O-N 3.1Å; N106-D108 PolarHBondContact OD1-N 3.16Å
109	T	65	Low	81.9	Confident	79 Å²	79	61.2 Å²	61.2	49%	0.485	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-10.7	-166.9	64.1	0	0	0	0	115.1	N106 E111	N106-T109 PolarHBondContact O-N 3.19Å; T109-E111 PolarHBondContact O-N 3.44Å; T109-E111 WeakPolarHBondContact OG1-CB 3.35Å; T109-E111 WeakPolarHBondContact OG1-CG 3.43Å; T109-E111 PolarHBondContact OG1-N 3.04Å
110	G	69.8	Low	81.9	Confident	53 Å²	53	63.1 Å²	63.1	55%	0.546	34%	0.344	S	S	.	.			trans	67.2	8	-172.4	0	0	0	0	0	114.4	N106 T112	N106-G110 WeakPolarHBondContact O-CA 3.45Å; N106-G110 PolarHBondContact O-N 3.38Å; G110-T112 PolarHBondContact O-N 3.39Å
111	E	73.9	Confident	81.6	Confident	59 Å²	59	71.3 Å²	71.3	28%	0.276	38%	0.382	S	S	.	.			trans	-73.7	119.5	-174.1	-71.3	-176.6	-165.3	0	0	112.1	N106 T109 S113 R134	N106-E111 PolarHBondContact N-O 3.29Å; T109-E111 PolarHBondContact O-N 3.44Å; T109-E111 WeakPolarHBondContact OG1-CB 3.35Å; T109-E111 WeakPolarHBondContact OG1-CG 3.43Å; T109-E111 PolarHBondContact OG1-N 3.04Å; E111-S113 VanDerWaalsContact C-N 3.25Å; E111-S113 PolarHBondContact O-N 3.07Å; E111-R134 IonicContact OE1-CZ 3.58Å; E111-R134 IonicContact OE1-NH2 2.75Å; E111-R134 PolarHBondContact OE1-NH2 3.39Å; E111-R134 IonicContact OE2-CZ 3.46Å; E111-R134 IonicContact OE2-NE 2.81Å; E111-R134 PolarHBondContact OE2-NE 3.07Å; E111-R134 IonicContact OE2-NH2 3.32Å; E111-R134 PolarHBondContact OE2-NH2 2.84Å
112	T	84.1	Confident	81.3	Confident	67 Å²	67	73.8 Å²	73.8	41%	0.411	41%	0.407	S	S	.	.			trans	-83.3	5.7	175.2	51.5	0	0	0	0	113.9	G101 P105 G110	G101-T112 CarbonylContact C-O 2.95Å; G101-T112 VanDerWaalsContact C-O 3.3Å; G101-T112 WeakPolarHBondContact CA-O 3.31Å; G101-T112 WeakPolarHBondContact O-CA 3.22Å; P105-T112 HydrophobicContact CB-CG2 4.06Å; G110-T112 PolarHBondContact O-N 3.39Å
113	S	87	Confident	81.4	Confident	28 Å²	28	65 Å²	65	20%	0.196	38%	0.376	C	S	.	.	S	Bend	trans	-77	148.4	174.2	-66.3	0	0	0	0	110.7	G100 E111 V115	G100-S113 WeakPolarHBondContact CA-O 3.46Å; E111-S113 VanDerWaalsContact C-N 3.25Å; E111-S113 PolarHBondContact O-N 3.07Å; S113-V115 WeakPolarHBondContact O-CG2 3.35Å
114	I	92.3	Very high	81.5	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.01	37%	0.368	C	S	.	.			trans	-71.9	132.6	167.9	-51.4	-59.8	0	0	0	108.7	V98 S99 G100 R134 V135 M143 A146 A151	V98-I114 HydrophobicContact CB-CG2 4.05Å; V98-I114 HydrophobicContact CG1-CG2 4.37Å; S99-I114 WeakPolarHBondContact O-CA 3.46Å; G100-I114 WeakPolarHBondContact O-CD1 3.36Å; I114-R134 CarbonylContact O-C 3.55Å; I114-R134 WeakPolarHBondContact O-CA 3.23Å; I114-V135 HydrophobicContact CB-CB 4.13Å; I114-V135 HydrophobicContact CG2-CB 3.96Å; I114-V135 HydrophobicContact CG2-CG2 4.18Å; I114-V135 PolarHBondContact O-N 2.94Å; I114-M143 HydrophobicContact CG1-CB 4.14Å; I114-A146 HydrophobicContact CG1-CB 4.43Å; I114-A151 HydrophobicContact CD1-CB 3.65Å; I114-A151 HydrophobicContact CG1-CB 3.78Å; I114-A151 HydrophobicContact CG2-CB 4.11Å
115	V	92	Very high	81.7	Confident	11 Å²	11	59.6 Å²	59.6	7%	0.067	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.8	-176.8	-165	0	0	0	0	110.1	V98 S99 S113 S117 D133 R134	V98-V115 CarbonylContact C-O 3.58Å; V98-V115 VanDerWaalsContact CA-O 3.23Å; V98-V115 WeakPolarHBondContact CA-O 3.36Å; S99-V115 PolarHBondContact N-O 3Å; S99-V115 PolarHBondContact O-N 3.41Å; S113-V115 WeakPolarHBondContact O-CG2 3.35Å; V115-S117 PolarHBondContact O-N 3.43Å; V115-D133 CarbonylContact C-O 3.51Å; V115-D133 WeakPolarHBondContact CA-O 3.49Å; V115-R134 HydrophobicContact CG2-CG 4.26Å
116	V	92.1	Very high	81.9	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	118.1	169	179.5	0	0	0	0	108.9	I96 V119 L129 K132 D133 V135	I96-V116 HydrophobicContact CG2-CG1 4.41Å; V116-V119 HydrophobicContact CG1-CG2 3.55Å; V116-L129 HydrophobicContact CG2-CD1 4.5Å; V116-K132 PolarHBondContact O-N 2.89Å; V116-D133 HydrophobicContact CB-CB 4.2Å; V116-D133 HydrophobicContact CG2-CB 3.98Å; V116-D133 PolarHBondContact N-O 3.34Å; V116-V135 HydrophobicContact CG2-CG2 4Å
117	S	89.8	Confident	82.3	Confident	53 Å²	53	61.7 Å²	61.7	37%	0.371	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-29.3	-175.8	60	0	0	0	0	113.8	A97 V115	A97-S117 VanDerWaalsContact CB-OG 3.31Å; A97-S117 WeakPolarHBondContact CB-OG 3.28Å; A97-S117 PolarHBondContact O-N 3.4Å; A97-S117 PolarHBondContact O-OG 2.98Å; V115-S117 PolarHBondContact O-N 3.43Å
118	D	88.2	Confident	83.3	Confident	71 Å²	71	56.5 Å²	56.5	38%	0.38	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	151.5	179.8	176.6	28.7	0	0	0	109	A97	A97-D118 HydrophobicContact CB-CB 4.05Å; A97-D118 PolarHBondContact N-O 3.02Å
119	V	90.8	Very high	84.7	Confident	26 Å²	26	49.2 Å²	49.2	16%	0.158	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	109.6	179.6	-176	0	0	0	0	108.3	G95 I96 V116 Q121 A125	G95-V119 CarbonylContact O-C 3.55Å; G95-V119 WeakPolarHBondContact O-CA 3.48Å; I96-V119 HydrophobicContact CG2-CG1 4.48Å; I96-V119 HydrophobicContact CG2-CG2 4.29Å; V116-V119 HydrophobicContact CG1-CG2 3.55Å; V119-Q121 PolarHBondContact O-N 2.85Å; V119-A125 HydrophobicContact CG1-CB 4Å
120	L	87.3	Confident	85.9	Confident	77 Å²	77	50.3 Å²	50.3	40%	0.403	30%	0.304	S	S	.	.			trans	-64.1	122.6	-172.8	-63.5	179.4	0	0	0	111.2	G95 G122 G123	G95-L120 PolarHBondContact O-N 3.22Å; L120-G122 PolarHBondContact O-N 3.44Å; L120-G123 VanDerWaalsContact O-CA 3.3Å; L120-G123 WeakPolarHBondContact O-CA 3.44Å; L120-G123 PolarHBondContact O-N 2.99Å
121	Q	80.1	Confident	86.8	Confident	173 Å²	173	53.7 Å²	53.7	81%	0.808	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	131.8	172.6	176.9	158.3	80.2	0	0	111.2	V119 G123	V119-Q121 PolarHBondContact O-N 2.85Å; Q121-G123 PolarHBondContact O-N 3.3Å
122	G	80.1	Confident	87.4	Confident	51 Å²	51	58.7 Å²	58.7	53%	0.526	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	-2.1	-168.4	0	0	0	0	0	114.8	M92 L120 E126	M92-G122 VanDerWaalsContact CE-O 3.28Å; M92-G122 WeakPolarHBondContact CE-O 3.45Å; L120-G122 PolarHBondContact O-N 3.44Å; G122-E126 WeakPolarHBondContact CA-OE2 3.41Å; G122-E126 PolarHBondContact N-OE2 3.49Å
123	G	86.9	Confident	87.7	Confident	7 Å²	7	55.5 Å²	55.5	7%	0.072	31%	0.307	C	S	.	.	S	Bend	trans	-84.9	160.1	-178.3	0	0	0	0	0	113.8	L120 Q121 A125 E126	L120-G123 VanDerWaalsContact O-CA 3.3Å; L120-G123 WeakPolarHBondContact O-CA 3.44Å; L120-G123 PolarHBondContact O-N 2.99Å; Q121-G123 PolarHBondContact O-N 3.3Å; G123-A125 PolarHBondContact O-N 3.11Å; G123-E126 PolarHBondContact O-N 3.39Å; G123-E126 VanDerWaalsContact O-N 3.1Å
124	P	87.3	Confident	87.9	Confident	39 Å²	39	56.9 Å²	56.9	25%	0.253	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-6.7	-175.3	-26.9	36.3	0	0	0	117.5	L86 Q87 D89	L86-P124 WeakPolarHBondContact CD2-O 3.49Å; Q87-P124 WeakPolarHBondContact O-CB 3.3Å; Q87-P124 WeakPolarHBondContact O-CG 3.29Å; D89-P124 HydrophobicContact CB-CG 3.77Å
125	A	87	Confident	87.9	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-7.3	179.7	0	0	0	0	0	114.5	L86 F94 I96 V119 G123 G127 L128 L129	L86-A125 HydrophobicContact CD1-CB 3.95Å; L86-A125 HydrophobicContact CD2-CB 3.71Å; F94-A125 WeakPolarHBondContact O-CB 3.34Å; I96-A125 HydrophobicContact CG2-CB 3.38Å; V119-A125 HydrophobicContact CG1-CB 4Å; G123-A125 PolarHBondContact O-N 3.11Å; A125-G127 PolarHBondContact O-N 2.89Å; A125-L128 PolarHBondContact O-N 3.48Å; A125-L129 HydrophobicContact CB-CB 4.43Å; A125-L129 PolarHBondContact O-N 3.43Å
126	E	86.7	Confident	87.8	Confident	94 Å²	94	57.1 Å²	57.1	44%	0.439	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	128.9	179.7	-174.9	173.9	-153.9	0	0	110.7	G122 G123 L128	G122-E126 WeakPolarHBondContact CA-OE2 3.41Å; G122-E126 PolarHBondContact N-OE2 3.49Å; G123-E126 PolarHBondContact O-N 3.39Å; G123-E126 VanDerWaalsContact O-N 3.1Å; E126-L128 PolarHBondContact O-N 3.07Å; E126-L128 VanDerWaalsContact O-N 3.16Å
127	G	82.9	Confident	87.8	Confident	54 Å²	54	59.4 Å²	59.4	56%	0.557	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-5	-177.8	0	0	0	0	0	115.9	A125 F130	A125-G127 PolarHBondContact O-N 2.89Å; G127-F130 WeakPolarHBondContact O-CE2 3.14Å
128	L	86.6	Confident	87.8	Confident	86 Å²	86	57 Å²	57	45%	0.45	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-50	176.6	-59.9	176.5	0	0	0	111.4	V84 L86 A125 E126 R168	V84-L128 HydrophobicContact CG1-CB 3.7Å; V84-L128 HydrophobicContact CG1-CD1 4Å; V84-L128 HydrophobicContact CG1-CG 4.41Å; V84-L128 HydrophobicContact CG2-CB 4.29Å; L86-L128 HydrophobicContact CD2-CD1 4.2Å; A125-L128 PolarHBondContact O-N 3.48Å; E126-L128 PolarHBondContact O-N 3.07Å; E126-L128 VanDerWaalsContact O-N 3.16Å; L128-R168 PolarHBondContact O-NH2 2.88Å
129	L	89.8	Confident	87.7	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	30%	0.303	C	S	.	.	S	Bend	trans	-107.2	152.8	169.9	-63.2	-179.8	0	0	0	109.6	V84 L86 I96 V116 A125 I164 V166	V84-L129 HydrophobicContact CB-CD2 4.16Å; V84-L129 HydrophobicContact CB-CG 4.49Å; V84-L129 HydrophobicContact CG1-CG 4.45Å; V84-L129 HydrophobicContact CG2-CD2 3.8Å; V84-L129 HydrophobicContact CG2-CG 4.39Å; L86-L129 HydrophobicContact CD1-CD1 3.97Å; I96-L129 HydrophobicContact CD1-CD1 4.08Å; I96-L129 HydrophobicContact CG2-CB 4.4Å; I96-L129 HydrophobicContact CG2-CD1 3.96Å; V116-L129 HydrophobicContact CG2-CD1 4.5Å; A125-L129 HydrophobicContact CB-CB 4.43Å; A125-L129 PolarHBondContact O-N 3.43Å; L129-I164 HydrophobicContact CD1-CD1 4.23Å; L129-I164 HydrophobicContact CD1-CG2 4.45Å; L129-V166 HydrophobicContact CD2-CB 4.49Å; L129-V166 HydrophobicContact CD2-CG1 3.74Å; L129-V166 HydrophobicContact CD2-CG2 3.87Å
130	F	89.1	Confident	87.3	Confident	103 Å²	103	61.4 Å²	61.4	45%	0.452	33%	0.327	S	S	.	.			trans	-133.8	155.5	-175.6	-68.2	-108.3	0	0	0	109	G127 D133 R168	G127-F130 WeakPolarHBondContact O-CE2 3.14Å; F130-D133 PolarHBondContact N-OD2 3.37Å; F130-D133 VanDerWaalsContact O-CB 3.29Å; F130-D133 WeakPolarHBondContact O-CB 3.33Å; F130-D133 PolarHBondContact O-N 2.59Å; F130-R168 VanDerWaalsContact CD2-CZ 3.49Å; F130-R168 VanDerWaalsContact CD2-NH2 3.32Å
131	E	88.4	Confident	87.3	Confident	123 Å²	123	60 Å²	60	58%	0.575	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	143.5	170.1	-66	170.8	-146.6	0	0	111.1	D133	E131-D133 PolarHBondContact O-N 3.25Å
132	K	86.5	Confident	87.7	Confident	164 Å²	164	56 Å²	56	71%	0.713	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	7	179	-49.2	175.9	-172.8	179.3	0	114.8	V116 R134	V116-K132 PolarHBondContact O-N 2.89Å; K132-R134 PolarHBondContact O-N 2.9Å
133	D	92.1	Very high	88.1	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-63.7	118.9	163.4	-84.7	-23.8	0	0	0	110.6	V115 V116 F130 E131 V166 R168	V115-D133 CarbonylContact C-O 3.51Å; V115-D133 WeakPolarHBondContact CA-O 3.49Å; V116-D133 HydrophobicContact CB-CB 4.2Å; V116-D133 HydrophobicContact CG2-CB 3.98Å; V116-D133 PolarHBondContact N-O 3.34Å; F130-D133 PolarHBondContact N-OD2 3.37Å; F130-D133 VanDerWaalsContact O-CB 3.29Å; F130-D133 WeakPolarHBondContact O-CB 3.33Å; F130-D133 PolarHBondContact O-N 2.59Å; E131-D133 PolarHBondContact O-N 3.25Å; D133-V166 HydrophobicContact CB-CB 3.97Å; D133-V166 HydrophobicContact CB-CG1 4.16Å; D133-V166 HydrophobicContact CB-CG2 4.06Å; D133-R168 VanDerWaalsContact OD1-CB 3.3Å; D133-R168 WeakPolarHBondContact OD1-CB 3.49Å; D133-R168 VanDerWaalsContact OD1-CG 3.31Å; D133-R168 WeakPolarHBondContact OD1-CG 3.41Å; D133-R168 IonicContact OD1-CZ 3.52Å; D133-R168 IonicContact OD1-NE 3.51Å; D133-R168 PolarHBondContact OD1-NE 2.97Å; D133-R168 IonicContact OD1-NH2 2.72Å; D133-R168 PolarHBondContact OD1-NH2 3.24Å; D133-R168 IonicContact OD2-CZ 3.74Å; D133-R168 IonicContact OD2-NE 3.59Å; D133-R168 IonicContact OD2-NH2 2.72Å; D133-R168 PolarHBondContact OD2-NH2 3.02Å
134	R	90.8	Very high	87.8	Confident	56 Å²	56	59.1 Å²	59.1	21%	0.211	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	120	176.4	-66.5	-169.2	-177.2	147.4	5	110.5	W79 E111 I114 V115 K132 V136 V166 K167	W79-R134 VanDerWaalsContact CZ2-NH1 3.31Å; W79-R134 HydrophobicContact CZ3-CG 4.23Å; E111-R134 IonicContact OE1-CZ 3.58Å; E111-R134 IonicContact OE1-NH2 2.75Å; E111-R134 PolarHBondContact OE1-NH2 3.39Å; E111-R134 IonicContact OE2-CZ 3.46Å; E111-R134 IonicContact OE2-NE 2.81Å; E111-R134 PolarHBondContact OE2-NE 3.07Å; E111-R134 IonicContact OE2-NH2 3.32Å; E111-R134 PolarHBondContact OE2-NH2 2.84Å; I114-R134 CarbonylContact O-C 3.55Å; I114-R134 WeakPolarHBondContact O-CA 3.23Å; V115-R134 HydrophobicContact CG2-CG 4.26Å; K132-R134 PolarHBondContact O-N 2.9Å; R134-V136 PolarHBondContact O-N 3.29Å; R134-V166 CarbonylContact O-C 3.57Å; R134-V166 WeakPolarHBondContact O-CA 3.35Å; R134-V166 WeakPolarHBondContact O-CB 3.41Å; R134-K167 HydrophobicContact CB-CB 4.41Å; R134-K167 PolarHBondContact N-O 2.65Å; R134-K167 PolarHBondContact O-N 3.26Å
135	V	91.9	Very high	87.5	Confident	6 Å²	6	59.4 Å²	59.4	4%	0.036	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	121	179.8	-176.3	0	0	0	0	110.6	V98 I114 V116 V138 M143 I164 V166	V98-V135 HydrophobicContact CG1-CG2 4.36Å; I114-V135 HydrophobicContact CB-CB 4.13Å; I114-V135 HydrophobicContact CG2-CB 3.96Å; I114-V135 HydrophobicContact CG2-CG2 4.18Å; I114-V135 PolarHBondContact O-N 2.94Å; V116-V135 HydrophobicContact CG2-CG2 4Å; V135-V138 HydrophobicContact CG1-CG2 3.73Å; V135-M143 HydrophobicContact CG1-CB 4.29Å; V135-M143 HydrophobicContact CG1-CG 4.13Å; V135-M143 WeakPolarHBondContact O-CB 3.28Å; V135-I164 HydrophobicContact CG1-CG2 3.91Å; V135-I164 HydrophobicContact CG2-CG2 4.46Å; V135-V166 HydrophobicContact CG2-CG1 4.18Å
136	V	90.8	Very high	87.4	Confident	13 Å²	13	60 Å²	60	8%	0.079	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-37.8	-176.9	-172.1	0	0	0	0	112	R134 P142 M143 T165 K167	R134-V136 PolarHBondContact O-N 3.29Å; V136-P142 CarbonylContact O-C 3.53Å; V136-P142 WeakPolarHBondContact O-CA 3.34Å; V136-M143 PolarHBondContact O-N 2.91Å; V136-T165 PolarHBondContact N-O 2.69Å; V136-K167 HydrophobicContact CG2-CB 4.09Å; V136-K167 HydrophobicContact CG2-CD 3.54Å; V136-K167 HydrophobicContact CG2-CG 3.62Å
137	L	90.5	Very high	87.6	Confident	49 Å²	49	59.4 Å²	59.4	26%	0.257	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.1	172.6	-54.8	93.9	0	0	0	112	T141 I164 T165	L137-T141 CarbonylContact C-O 3.49Å; L137-T141 VanDerWaalsContact CA-O 3.23Å; L137-T141 WeakPolarHBondContact CA-O 3.32Å; L137-I164 WeakPolarHBondContact O-CA 3.46Å; L137-T165 HydrophobicContact CD1-CG2 3.88Å; L137-T165 PolarHBondContact N-O 2.83Å; L137-T165 VanDerWaalsContact N-O 3.09Å; L137-T165 PolarHBondContact O-N 2.94Å
138	V	90.9	Very high	87.9	Confident	1 Å²	1	59 Å²	59	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	117.3	168.5	178.5	0	0	0	0	108.4	V135 N140 T141 M143 T154 L155 C158 I164	V135-V138 HydrophobicContact CG1-CG2 3.73Å; V138-N140 VanDerWaalsContact C-N 3.29Å; V138-N140 PolarHBondContact O-N 2.85Å; V138-T141 PolarHBondContact N-O 3.11Å; V138-T141 VanDerWaalsContact O-CB 3.25Å; V138-T141 WeakPolarHBondContact O-CB 3.27Å; V138-T141 PolarHBondContact O-N 3.1Å; V138-T141 PolarHBondContact O-OG1 3.49Å; V138-M143 HydrophobicContact CB-CE 3.95Å; V138-M143 HydrophobicContact CG2-CE 4.15Å; V138-M143 HydrophobicContact CG2-CG 4.03Å; V138-T154 HydrophobicContact CB-CG2 4.24Å; V138-T154 HydrophobicContact CG1-CG2 4.11Å; V138-L155 HydrophobicContact CG1-CD2 3.65Å; V138-L155 HydrophobicContact CG1-CG 4.17Å; V138-L155 HydrophobicContact CG2-CD2 3.97Å; V138-L155 HydrophobicContact CG2-CG 4.28Å; V138-C158 VanDerWaalsContact CG1-SG 3.57Å; V138-I164 HydrophobicContact CG2-CG1 4.46Å; V138-I164 HydrophobicContact CG2-CG2 4.39Å
139	N	86	Confident	88.1	Confident	65 Å²	65	57.5 Å²	57.5	35%	0.348	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	53.1	-176.2	-81.9	-14.2	0	0	0	112.3	T141 C158 T161 K163	N139-T141 PolarHBondContact O-N 3.22Å; N139-T141 VanDerWaalsContact O-N 3.11Å; N139-C158 PolarHBondContact ND2-SG 3.25Å; N139-T161 PolarHBondContact ND2-O 3.2Å; N139-K163 PolarHBondContact N-O 3.02Å; N139-K163 WeakPolarHBondContact OD1-CB 3.17Å; N139-K163 PolarHBondContact OD1-N 3.07Å
140	N	81.8	Confident	88.2	Confident	126 Å²	126	61.6 Å²	61.6	67%	0.674	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	1.8	-176.4	-53.7	-13.4	0	0	0	116.2	V138	V138-N140 VanDerWaalsContact C-N 3.29Å; V138-N140 PolarHBondContact O-N 2.85Å
141	T	87.7	Confident	88.3	Confident	47 Å²	47	56.8 Å²	56.8	29%	0.288	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.3	170.8	-51.9	0	0	0	0	109.2	L137 V138 N139 M143 F150 T154	L137-T141 CarbonylContact C-O 3.49Å; L137-T141 VanDerWaalsContact CA-O 3.23Å; L137-T141 WeakPolarHBondContact CA-O 3.32Å; V138-T141 PolarHBondContact N-O 3.11Å; V138-T141 VanDerWaalsContact O-CB 3.25Å; V138-T141 WeakPolarHBondContact O-CB 3.27Å; V138-T141 PolarHBondContact O-N 3.1Å; V138-T141 PolarHBondContact O-OG1 3.49Å; N139-T141 PolarHBondContact O-N 3.22Å; N139-T141 VanDerWaalsContact O-N 3.11Å; T141-M143 HydrophobicContact CG2-CE 3.82Å; T141-F150 HydrophobicContact CG2-CE1 3.74Å; T141-F150 HydrophobicContact CG2-CZ 3.71Å; T141-T154 HydrophobicContact CG2-CG2 4.29Å
142	P	89.1	Confident	88.4	Confident	88 Å²	88	52.8 Å²	52.8	57%	0.571	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	146.7	177.1	30	-34.8	0	0	0	111.8	V136	V136-P142 CarbonylContact O-C 3.53Å; V136-P142 WeakPolarHBondContact O-CA 3.34Å
143	M	86.9	Confident	88.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.274	C	S	.	.			trans	-120.1	-2.3	-179.4	-65.8	-60.4	156.7	0	0	113.6	I114 V135 V136 V138 T141 G145 A146 F150 A151 T154	I114-M143 HydrophobicContact CG1-CB 4.14Å; V135-M143 HydrophobicContact CG1-CB 4.29Å; V135-M143 HydrophobicContact CG1-CG 4.13Å; V135-M143 WeakPolarHBondContact O-CB 3.28Å; V136-M143 PolarHBondContact O-N 2.91Å; V138-M143 HydrophobicContact CB-CE 3.95Å; V138-M143 HydrophobicContact CG2-CE 4.15Å; V138-M143 HydrophobicContact CG2-CG 4.03Å; T141-M143 HydrophobicContact CG2-CE 3.82Å; M143-G145 PolarHBondContact O-N 3.08Å; M143-A146 WeakPolarHBondContact O-CB 3.36Å; M143-A146 PolarHBondContact O-N 3.34Å; M143-A146 VanDerWaalsContact O-N 3.16Å; M143-A146 HydrophobicContact SD-CB 4.1Å; M143-F150 HydrophobicContact CE-CD1 4.3Å; M143-F150 HydrophobicContact CE-CE1 3.95Å; M143-F150 HydrophobicContact SD-CD1 4.16Å; M143-F150 HydrophobicContact SD-CE1 4.22Å; M143-A151 HydrophobicContact SD-CB 3.77Å; M143-T154 HydrophobicContact CE-CG2 3.54Å
144	E	81.5	Confident	88.2	Confident	125 Å²	125	50.5 Å²	50.5	58%	0.584	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	114.2	177.4	-160.4	147.4	-124.2	0	0	109.6	A146 K167	E144-A146 VanDerWaalsContact C-N 3.32Å; E144-A146 PolarHBondContact O-N 3.2Å; E144-K167 IonicContact OE1-NZ 2.8Å; E144-K167 PolarHBondContact OE1-NZ 3.33Å; E144-K167 IonicContact OE2-NZ 2.63Å
145	G	80.1	Confident	88.1	Confident	44 Å²	44	48.7 Å²	48.7	45%	0.454	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	11.5	-173.3	0	0	0	0	0	115.6	M143	M143-G145 PolarHBondContact O-N 3.08Å
146	A	86.6	Confident	87.7	Confident	13 Å²	13	57.3 Å²	57.3	11%	0.107	31%	0.305	C	S	.	.			trans	-70.5	159.9	179.7	0	0	0	0	0	113.4	G101 R102 I114 M143 E144 F150	G101-A146 WeakPolarHBondContact CA-O 3.43Å; R102-A146 PolarHBondContact N-O 3.38Å; I114-A146 HydrophobicContact CG1-CB 4.43Å; M143-A146 WeakPolarHBondContact O-CB 3.36Å; M143-A146 PolarHBondContact O-N 3.34Å; M143-A146 VanDerWaalsContact O-N 3.16Å; M143-A146 HydrophobicContact SD-CB 4.1Å; E144-A146 VanDerWaalsContact C-N 3.32Å; E144-A146 PolarHBondContact O-N 3.2Å; A146-F150 HydrophobicContact CB-CD1 4.11Å
147	L	89.4	Confident	87.4	Confident	81 Å²	81	63.5 Å²	63.5	42%	0.424	33%	0.33	S	S	.	.			trans	-72.8	138	165.2	-62.4	167.6	0	0	0	109.4	R102 D103 S149 F150 A151	R102-L147 HydrophobicContact CB-CD2 4.32Å; D103-L147 HydrophobicContact CB-CD2 3.65Å; D103-L147 VanDerWaalsContact OD1-CA 3.29Å; D103-L147 WeakPolarHBondContact OD1-CA 3.46Å; L147-S149 VanDerWaalsContact C-N 3.26Å; L147-S149 PolarHBondContact O-N 3.36Å; L147-F150 HydrophobicContact CB-CB 3.94Å; L147-F150 WeakPolarHBondContact O-CA 3.49Å; L147-F150 WeakPolarHBondContact O-CB 3.48Å; L147-F150 PolarHBondContact O-N 3.07Å; L147-A151 PolarHBondContact O-N 3.14Å
148	H	90.6	Very high	86.8	Confident	46 Å²	46	61.5 Å²	61.5	21%	0.213	32%	0.32	C	S	.	.	H	α-helix	trans	-50	-49.2	170.8	-178.8	85.1	0	0	0	110.9	V98 G100 D103 N104 F150 A151 V152	V98-H148 PolarHBondContact O-CE1 2.96Å; V98-H148 VanDerWaalsContact O-CE1 3.29Å; G100-H148 WeakPolarHBondContact O-CB 3.44Å; G100-H148 PolarHBondContact O-ND1 2.85Å; D103-H148 VanDerWaalsContact OD1-CB 3.26Å; D103-H148 WeakPolarHBondContact OD1-CB 3.47Å; D103-H148 PolarHBondContact OD1-N 3.25Å; N104-H148 HydrophobicContact CB-CB 3.93Å; H148-F150 VanDerWaalsContact C-N 3.29Å; H148-F150 PolarHBondContact O-N 3.27Å; H148-A151 PolarHBondContact O-N 3.01Å; H148-V152 WeakPolarHBondContact O-CG2 3.46Å; H148-V152 PolarHBondContact O-N 2.74Å
149	S	90.3	Very high	86.2	Confident	55 Å²	55	63.8 Å²	63.8	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-56	-39.6	174.3	52.3	0	0	0	0	113	D103 L147 Q153	D103-S149 PolarHBondContact OD2-OG 3.28Å; L147-S149 VanDerWaalsContact C-N 3.26Å; L147-S149 PolarHBondContact O-N 3.36Å; S149-Q153 WeakPolarHBondContact O-CB 3.16Å; S149-Q153 VanDerWaalsContact O-CG 3.3Å; S149-Q153 WeakPolarHBondContact O-CG 3.42Å; S149-Q153 PolarHBondContact O-N 3.28Å
150	F	92.4	Very high	86	Confident	88 Å²	88	69.2 Å²	69.2	39%	0.386	36%	0.364	S	S	.	.	H	α-helix	trans	-71.9	-39.9	176	176.5	-92.4	0	0	0	112.7	T141 M143 A146 L147 H148 Q153 T154	T141-F150 HydrophobicContact CG2-CE1 3.74Å; T141-F150 HydrophobicContact CG2-CZ 3.71Å; M143-F150 HydrophobicContact CE-CD1 4.3Å; M143-F150 HydrophobicContact CE-CE1 3.95Å; M143-F150 HydrophobicContact SD-CD1 4.16Å; M143-F150 HydrophobicContact SD-CE1 4.22Å; A146-F150 HydrophobicContact CB-CD1 4.11Å; L147-F150 HydrophobicContact CB-CB 3.94Å; L147-F150 WeakPolarHBondContact O-CA 3.49Å; L147-F150 WeakPolarHBondContact O-CB 3.48Å; L147-F150 PolarHBondContact O-N 3.07Å; H148-F150 VanDerWaalsContact C-N 3.29Å; H148-F150 PolarHBondContact O-N 3.27Å; F150-Q153 PolarHBondContact O-N 2.91Å; F150-T154 WeakPolarHBondContact O-CB 3.49Å; F150-T154 PolarHBondContact O-N 2.85Å; F150-T154 PolarHBondContact O-OG1 3.49Å
151	A	89.7	Confident	86.1	Confident	2 Å²	2	67 Å²	67	2%	0.017	36%	0.356	C	S	.	.	H	α-helix	trans	-64.2	-48	177.3	0	0	0	0	0	111.6	I114 M143 L147 H148 Q153 T154 L155	I114-A151 HydrophobicContact CD1-CB 3.65Å; I114-A151 HydrophobicContact CG1-CB 3.78Å; I114-A151 HydrophobicContact CG2-CB 4.11Å; M143-A151 HydrophobicContact SD-CB 3.77Å; L147-A151 PolarHBondContact O-N 3.14Å; H148-A151 PolarHBondContact O-N 3.01Å; A151-Q153 PolarHBondContact O-N 3.12Å; A151-T154 PolarHBondContact O-N 2.9Å; A151-L155 PolarHBondContact O-N 2.84Å
152	V	90.4	Very high	86.2	Confident	39 Å²	39	64.9 Å²	64.9	24%	0.236	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-41.9	175	174.9	0	0	0	0	111.2	V98 H148 T154 R156	V98-V152 HydrophobicContact CG2-CG2 4.01Å; H148-V152 WeakPolarHBondContact O-CG2 3.46Å; H148-V152 PolarHBondContact O-N 2.74Å; V152-T154 VanDerWaalsContact C-N 3.35Å; V152-T154 PolarHBondContact O-N 3.02Å; V152-R156 WeakPolarHBondContact O-CB 3.47Å; V152-R156 VanDerWaalsContact O-CG 3.3Å; V152-R156 WeakPolarHBondContact O-CG 3.49Å; V152-R156 PolarHBondContact O-N 2.92Å
153	Q	86.6	Confident	86.3	Confident	101 Å²	101	65.3 Å²	65.3	47%	0.472	34%	0.336	S	S	.	.	H	α-helix	trans	-61	-41.7	172.9	-83.4	-168.4	38.3	0	0	112.6	S149 F150 A151 R156 K157	S149-Q153 WeakPolarHBondContact O-CB 3.16Å; S149-Q153 VanDerWaalsContact O-CG 3.3Å; S149-Q153 WeakPolarHBondContact O-CG 3.42Å; S149-Q153 PolarHBondContact O-N 3.28Å; F150-Q153 PolarHBondContact O-N 2.91Å; A151-Q153 PolarHBondContact O-N 3.12Å; Q153-R156 PolarHBondContact O-N 3.39Å; Q153-K157 WeakPolarHBondContact O-CB 3.42Å; Q153-K157 WeakPolarHBondContact O-CD 3.37Å; Q153-K157 WeakPolarHBondContact O-CG 3.45Å; Q153-K157 PolarHBondContact O-N 3.24Å
154	T	89.1	Confident	86.6	Confident	15 Å²	15	65.3 Å²	65.3	9%	0.092	34%	0.336	C	S	.	.	H	α-helix	trans	-67.1	-44.7	-178.8	-57.3	0	0	0	0	110.8	V138 T141 M143 F150 A151 V152 R156 K157 C158	V138-T154 HydrophobicContact CB-CG2 4.24Å; V138-T154 HydrophobicContact CG1-CG2 4.11Å; T141-T154 HydrophobicContact CG2-CG2 4.29Å; M143-T154 HydrophobicContact CE-CG2 3.54Å; F150-T154 WeakPolarHBondContact O-CB 3.49Å; F150-T154 PolarHBondContact O-N 2.85Å; F150-T154 PolarHBondContact O-OG1 3.49Å; A151-T154 PolarHBondContact O-N 2.9Å; V152-T154 VanDerWaalsContact C-N 3.35Å; V152-T154 PolarHBondContact O-N 3.02Å; T154-R156 VanDerWaalsContact C-N 3.35Å; T154-R156 PolarHBondContact O-N 3.08Å; T154-K157 PolarHBondContact O-N 2.53Å; T154-C158 PolarHBondContact O-N 2.93Å; T154-C158 PolarHBondContact O-SG 3.05Å
155	L	87.3	Confident	87.1	Confident	18 Å²	18	60 Å²	60	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-59.3	-41.4	171.5	-73.3	165.3	0	0	0	112.2	F94 V98 V138 A151 K157 C158 I164	F94-L155 WeakPolarHBondContact CE2-O 3.15Å; V98-L155 HydrophobicContact CG1-CD1 4.15Å; V98-L155 HydrophobicContact CG2-CD1 3.97Å; V138-L155 HydrophobicContact CG1-CD2 3.65Å; V138-L155 HydrophobicContact CG1-CG 4.17Å; V138-L155 HydrophobicContact CG2-CD2 3.97Å; V138-L155 HydrophobicContact CG2-CG 4.28Å; A151-L155 PolarHBondContact O-N 2.84Å; L155-K157 VanDerWaalsContact C-N 3.35Å; L155-K157 PolarHBondContact O-N 2.65Å; L155-C158 WeakPolarHBondContact O-CB 3.27Å; L155-C158 PolarHBondContact O-N 3.4Å; L155-I164 HydrophobicContact CD2-CD1 3.59Å; L155-I164 HydrophobicContact CD2-CG1 4.22Å
156	R	84.7	Confident	87.8	Confident	188 Å²	188	57.9 Å²	57.9	71%	0.709	29%	0.29	S	S	*	.	H	α-helix	trans	-67.1	-32.6	176.2	-73.8	177	-177.9	-127.8	1.5	113.5	R88 V152 Q153 T154 C158	R88-R156 PolarHBondContact NH1-O 3.07Å; V152-R156 WeakPolarHBondContact O-CB 3.47Å; V152-R156 VanDerWaalsContact O-CG 3.3Å; V152-R156 WeakPolarHBondContact O-CG 3.49Å; V152-R156 PolarHBondContact O-N 2.92Å; Q153-R156 PolarHBondContact O-N 3.39Å; T154-R156 VanDerWaalsContact C-N 3.35Å; T154-R156 PolarHBondContact O-N 3.08Å; R156-C158 VanDerWaalsContact C-N 3.33Å
157	K	83.9	Confident	88	Confident	143 Å²	143	59.7 Å²	59.7	62%	0.622	30%	0.296	S	S	*	.	H	α-helix	trans	-75.7	-17.8	175	-71.9	165.4	-169.3	169.1	0	112.7	Q153 T154 L155 G159	Q153-K157 WeakPolarHBondContact O-CB 3.42Å; Q153-K157 WeakPolarHBondContact O-CD 3.37Å; Q153-K157 WeakPolarHBondContact O-CG 3.45Å; Q153-K157 PolarHBondContact O-N 3.24Å; T154-K157 PolarHBondContact O-N 2.53Å; L155-K157 VanDerWaalsContact C-N 3.35Å; L155-K157 PolarHBondContact O-N 2.65Å; K157-G159 PolarHBondContact O-N 3.2Å; K157-G159 VanDerWaalsContact O-N 3.11Å
158	C	77	Confident	88	Confident	6 Å²	6	58.8 Å²	58.8	4%	0.041	29%	0.287	C	S	.	.			trans	-67.9	107.7	168.8	-63.1	0	0	0	0	109.1	R88 F94 V138 N139 T154 L155 R156 A162	R88-C158 PolarHBondContact NH1-O 3.45Å; F94-C158 HydrophobicContact CE2-CB 4.05Å; F94-C158 HydrophobicContact CZ-CB 3.96Å; F94-C158 WeakPolarHBondContact CZ-O 3.49Å; V138-C158 VanDerWaalsContact CG1-SG 3.57Å; N139-C158 PolarHBondContact ND2-SG 3.25Å; T154-C158 PolarHBondContact O-N 2.93Å; T154-C158 PolarHBondContact O-SG 3.05Å; L155-C158 WeakPolarHBondContact O-CB 3.27Å; L155-C158 PolarHBondContact O-N 3.4Å; R156-C158 VanDerWaalsContact C-N 3.33Å; C158-A162 HydrophobicContact CB-CB 3.85Å
159	G	78.4	Confident	87.6	Confident	49 Å²	49	59.1 Å²	59.1	51%	0.505	30%	0.297	S	S	.	.			trans	-63.6	-85.9	-166	0	0	0	0	0	114.2	R88 K157	R88-G159 WeakPolarHBondContact CD-O 3.26Å; K157-G159 PolarHBondContact O-N 3.2Å; K157-G159 VanDerWaalsContact O-N 3.11Å
160	K	82.3	Confident	86.9	Confident	179 Å²	179	60.9 Å²	60.9	78%	0.778	30%	0.298	S	S	*	.	S	Bend	trans	-99.7	-18.5	178.3	-67.2	-174.2	178.2	-177.9	0	113.5	R88	R88-K160 PolarHBondContact N-O 2.86Å
161	T	84.8	Confident	85.7	Confident	81 Å²	81	64 Å²	64	50%	0.497	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.5	-177.8	47.1	0	0	0	0	111.3	L86 Q87 N139	L86-T161 CarbonylContact O-C 3.56Å; L86-T161 VanDerWaalsContact O-CA 3.27Å; L86-T161 WeakPolarHBondContact O-CA 3.45Å; Q87-T161 HydrophobicContact CB-CG2 4.48Å; Q87-T161 HydrophobicContact CG-CG2 4.46Å; N139-T161 PolarHBondContact ND2-O 3.2Å
162	A	90.1	Very high	84.3	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.008	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	115.5	175.5	0	0	0	0	0	109.9	L86 F94 C158 I164	L86-A162 PolarHBondContact N-O 3.43Å; L86-A162 PolarHBondContact O-N 3.07Å; F94-A162 HydrophobicContact CD1-CB 4.04Å; F94-A162 HydrophobicContact CE1-CB 3.57Å; F94-A162 HydrophobicContact CE2-CB 4.12Å; F94-A162 HydrophobicContact CG-CB 4.49Å; F94-A162 HydrophobicContact CZ-CB 3.62Å; C158-A162 HydrophobicContact CB-CB 3.85Å; A162-I164 HydrophobicContact CB-CD1 4.4Å; A162-I164 HydrophobicContact CB-CG1 4.1Å; A162-I164 PolarHBondContact O-N 3.26Å
163	K	90.6	Very high	82.2	Confident	97 Å²	97	69.1 Å²	69.1	42%	0.422	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	100.5	168.4	-175.4	179	177.6	-175.8	0	108.2	T83 V84 T85 N139	T83-K163 HydrophobicContact CG2-CD 4.23Å; T83-K163 VanDerWaalsContact CG2-CE 3.43Å; T83-K163 HydrophobicContact CG2-CG 3.72Å; V84-K163 CarbonylContact O-C 3.47Å; V84-K163 WeakPolarHBondContact O-CA 3.49Å; T85-K163 HydrophobicContact CG2-CB 4.14Å; T85-K163 HydrophobicContact CG2-CG 4.04Å; N139-K163 PolarHBondContact N-O 3.02Å; N139-K163 WeakPolarHBondContact OD1-CB 3.17Å; N139-K163 PolarHBondContact OD1-N 3.07Å
164	I	93.3	Very high	80.4	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.1	-178.8	-53.7	-175.7	0	0	0	108.3	T83 V84 L86 I96 L129 V135 L137 V138 L155 A162 V166	T83-I164 WeakPolarHBondContact CA-O 3.46Å; V84-I164 PolarHBondContact N-O 2.77Å; V84-I164 PolarHBondContact O-N 3.39Å; L86-I164 HydrophobicContact CD1-CD1 3.64Å; L86-I164 HydrophobicContact CD1-CG1 4.5Å; L86-I164 HydrophobicContact CG-CD1 4.42Å; I96-I164 HydrophobicContact CD1-CD1 3.6Å; L129-I164 HydrophobicContact CD1-CD1 4.23Å; L129-I164 HydrophobicContact CD1-CG2 4.45Å; V135-I164 HydrophobicContact CG1-CG2 3.91Å; V135-I164 HydrophobicContact CG2-CG2 4.46Å; L137-I164 WeakPolarHBondContact O-CA 3.46Å; V138-I164 HydrophobicContact CG2-CG1 4.46Å; V138-I164 HydrophobicContact CG2-CG2 4.39Å; L155-I164 HydrophobicContact CD2-CD1 3.59Å; L155-I164 HydrophobicContact CD2-CG1 4.22Å; A162-I164 HydrophobicContact CB-CD1 4.4Å; A162-I164 HydrophobicContact CB-CG1 4.1Å; A162-I164 PolarHBondContact O-N 3.26Å; I164-V166 HydrophobicContact CG2-CG1 3.9Å
165	T	92	Very high	77.8	Confident	13 Å²	13	72.4 Å²	72.4	8%	0.08	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123	174.5	-60.4	0	0	0	0	109.2	Q81 Y82 T83 V136 L137	Q81-T165 HydrophobicContact CG-CG2 3.53Å; Y82-T165 CarbonylContact O-C 3.58Å; Y82-T165 VanDerWaalsContact O-CA 3.29Å; Y82-T165 WeakPolarHBondContact O-CA 3.5Å; T83-T165 WeakPolarHBondContact CG2-OG1 3.28Å; T83-T165 WeakPolarHBondContact OG1-CG2 3.36Å; T83-T165 PolarHBondContact OG1-OG1 2.84Å; V136-T165 PolarHBondContact N-O 2.69Å; L137-T165 HydrophobicContact CD1-CG2 3.88Å; L137-T165 PolarHBondContact N-O 2.83Å; L137-T165 VanDerWaalsContact N-O 3.09Å; L137-T165 PolarHBondContact O-N 2.94Å
166	V	93.6	Very high	75.5	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	151.5	-176.2	-57.1	0	0	0	0	112.1	Q81 Y82 L129 D133 R134 V135 I164	Q81-V166 CarbonylContact C-O 3.58Å; Q81-V166 VanDerWaalsContact CA-O 3.29Å; Q81-V166 WeakPolarHBondContact CA-O 3.45Å; Y82-V166 PolarHBondContact N-O 2.64Å; Y82-V166 PolarHBondContact O-N 3.29Å; L129-V166 HydrophobicContact CD2-CB 4.49Å; L129-V166 HydrophobicContact CD2-CG1 3.74Å; L129-V166 HydrophobicContact CD2-CG2 3.87Å; D133-V166 HydrophobicContact CB-CB 3.97Å; D133-V166 HydrophobicContact CB-CG1 4.16Å; D133-V166 HydrophobicContact CB-CG2 4.06Å; R134-V166 CarbonylContact O-C 3.57Å; R134-V166 WeakPolarHBondContact O-CA 3.35Å; R134-V166 WeakPolarHBondContact O-CB 3.41Å; V135-V166 HydrophobicContact CG2-CG1 4.18Å; I164-V166 HydrophobicContact CG2-CG1 3.9Å
167	K	91.4	Very high	72.9	Confident	51 Å²	51	76.9 Å²	76.9	22%	0.222	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	121.8	165.9	-80.4	163.4	-169.6	172.2	0	108.1	W79 E80 R134 V136 E144	W79-K167 HydrophobicContact CE3-CB 3.92Å; E80-K167 WeakPolarHBondContact O-CA 3.47Å; R134-K167 HydrophobicContact CB-CB 4.41Å; R134-K167 PolarHBondContact N-O 2.65Å; R134-K167 PolarHBondContact O-N 3.26Å; V136-K167 HydrophobicContact CG2-CB 4.09Å; V136-K167 HydrophobicContact CG2-CD 3.54Å; V136-K167 HydrophobicContact CG2-CG 3.62Å; E144-K167 IonicContact OE1-NZ 2.8Å; E144-K167 PolarHBondContact OE1-NZ 3.33Å; E144-K167 IonicContact OE2-NZ 2.63Å
168	R	89.6	Confident	71.9	Confident	62 Å²	62	75.2 Å²	75.2	23%	0.234	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.2	174.6	-169.7	176.3	-63	157.6	10.1	109.8	W79 E80 Y82 L128 F130 D133	W79-R168 WeakPolarHBondContact CA-O 3.22Å; E80-R168 PolarHBondContact N-O 3.09Å; E80-R168 PolarHBondContact O-N 2.91Å; Y82-R168 HydrophobicContact CD2-CB 3.88Å; Y82-R168 HydrophobicContact CE2-CB 3.77Å; L128-R168 PolarHBondContact O-NH2 2.88Å; F130-R168 VanDerWaalsContact CD2-CZ 3.49Å; F130-R168 VanDerWaalsContact CD2-NH2 3.32Å; D133-R168 VanDerWaalsContact OD1-CB 3.3Å; D133-R168 WeakPolarHBondContact OD1-CB 3.49Å; D133-R168 VanDerWaalsContact OD1-CG 3.31Å; D133-R168 WeakPolarHBondContact OD1-CG 3.41Å; D133-R168 IonicContact OD1-CZ 3.52Å; D133-R168 IonicContact OD1-NE 3.51Å; D133-R168 PolarHBondContact OD1-NE 2.97Å; D133-R168 IonicContact OD1-NH2 2.72Å; D133-R168 PolarHBondContact OD1-NH2 3.24Å; D133-R168 IonicContact OD2-CZ 3.74Å; D133-R168 IonicContact OD2-NE 3.59Å; D133-R168 IonicContact OD2-NH2 2.72Å; D133-R168 PolarHBondContact OD2-NH2 3.02Å
169	A	81.8	Confident	69.3	Low	52 Å²	52	85.5 Å²	85.5	43%	0.43	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	129.7	177.6	0	0	0	0	0	111	T77 W79	T77-A169 HydrophobicContact CG2-CB 3.91Å; W79-A169 HydrophobicContact CD2-CB 4.37Å; W79-A169 HydrophobicContact CE3-CB 4.04Å; W79-A169 HydrophobicContact CH2-CB 3.89Å; W79-A169 HydrophobicContact CZ2-CB 4.19Å; W79-A169 HydrophobicContact CZ3-CB 3.81Å
170	K	76.8	Confident	67.2	Low	92 Å²	92	88.5 Å²	88.5	40%	0.4	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.9	175.9	-171.9	178.3	-176.1	177.7	0	109.4	V78 E80 V172	V78-K170 PolarHBondContact N-O 3.17Å; V78-K170 PolarHBondContact O-N 2.88Å; V78-K170 VanDerWaalsContact O-O 3.14Å; E80-K170 HydrophobicContact CG-CD 4.03Å; E80-K170 VanDerWaalsContact OE1-CD 3.27Å; E80-K170 WeakPolarHBondContact OE1-CD 3.45Å; E80-K170 WeakPolarHBondContact OE1-CE 3.47Å; E80-K170 IonicContact OE1-NZ 2.87Å; E80-K170 PolarHBondContact OE1-NZ 2.67Å; E80-K170 WeakPolarHBondContact OE2-CD 3.48Å; E80-K170 IonicContact OE2-NZ 3.26Å; E80-K170 PolarHBondContact OE2-NZ 3.43Å; K170-V172 HydrophobicContact CD-CG2 4.45Å; K170-V172 HydrophobicContact CG-CG2 4.18Å
171	R	66.6	Low	64.6	Low	153 Å²	153	84.2 Å²	84.2	58%	0.577	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.8	-178.8	-49.1	-175.8	83.6	-112.7	-5.6	107.3	E75	E75-R171 IonicContact OE1-CZ 3.92Å; E75-R171 IonicContact OE1-NH1 3.93Å; E75-R171 PolarHBondContact OE1-NH1 2.81Å; E75-R171 IonicContact OE1-NH2 2.8Å; E75-R171 IonicContact OE2-CZ 3.31Å; E75-R171 IonicContact OE2-NH1 3.55Å; E75-R171 PolarHBondContact OE2-NH1 3.14Å; E75-R171 IonicContact OE2-NH2 2.63Å; E75-R171 PolarHBondContact OE2-NH2 2.99Å
172	V	60.2	Low	62.2	Low	54 Å²	54	85.5 Å²	85.5	33%	0.327	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.3	-175.8	-175.9	0	0	0	0	109	Q76 V78 K170	Q76-V172 PolarHBondContact N-O 3.26Å; Q76-V172 VanDerWaalsContact N-O 3.15Å; Q76-V172 PolarHBondContact O-N 2.71Å; V78-V172 HydrophobicContact CB-CG2 4.14Å; V78-V172 HydrophobicContact CG2-CB 4.19Å; V78-V172 HydrophobicContact CG2-CG2 3.92Å; K170-V172 HydrophobicContact CD-CG2 4.45Å; K170-V172 HydrophobicContact CG-CG2 4.18Å
173	P	46.1	Very low	59.9	Low	96 Å²	96	91.7 Å²	91.7	62%	0.623	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	128.8	174.6	29.5	-33.2	0	0	0	110.1	V73 S175	V73-P173 HydrophobicContact CG1-CB 4.47Å; P173-S175 PolarHBondContact O-N 2.97Å
174	V	48.3	Very low	57.2	Low	72 Å²	72	94.4 Å²	94.4	44%	0.436	53%	0.527	S	S	.	.			trans	-72.7	127	178.2	173.1	0	0	0	0	110.3	M74 Q76 V176	M74-V174 VanDerWaalsContact O-CG2 3.23Å; M74-V174 WeakPolarHBondContact O-CG2 3.45Å; Q76-V174 HydrophobicContact CB-CG2 4.04Å; V174-V176 HydrophobicContact CG1-CG2 4.13Å
175	S	35.7	Very low	54.3	Low	113 Å²	113	101.4 Å²	101.4	79%	0.79	57%	0.569	S	S	*	*			trans	-104.3	135.6	172.3	-176.2	0	0	0	0	109.9	P173	P173-S175 PolarHBondContact O-N 2.97Å
176	V	37.8	Very low	51.2	Low	123 Å²	123	108.3 Å²	108.3	75%	0.745	60%	0.599	S	S	*	*			trans	-121.7	128.8	-175.1	-177.4	0	0	0	0	110	V174	V174-V176 HydrophobicContact CG1-CG2 4.13Å
177	M	31.2	Very low	48.2	Very low	177 Å²	177	113.5 Å²	113.5	87%	0.872	64%	0.635	S	S	*	*			trans	-144.6	148.4	171.2	-94	-81.2	161.8	0	0	110.6
178	P	63.2	Low	45.2	Very low	108 Å²	108	117.1 Å²	117.1	70%	0.701	66%	0.657	S	S	*	*			trans	-132.8	169.7	-155.5	41.7	-25.3	0	0	0	117
179	R	22.7	Very low	42.3	Very low	221 Å²	221	120.1 Å²	120.1	83%	0.834	68%	0.677	S	S	*	*			trans	166	167.7	151.8	-100.8	174.1	-178.7	-166.4	0.7	111.7
180	P	33.7	Very low	39.6	Very low	112 Å²	112	124.1 Å²	124.1	73%	0.727	69%	0.692	S	S	*	*			cis	-138.7	157.4	-20.1	36.1	-17.1	0	0	0	118
181	A	26.7	Very low	37.3	Very low	89 Å²	89	129.6 Å²	129.6	74%	0.736	71%	0.711	S	S	*	*			trans	47.1	108.3	138	0	0	0	0	0	125.5
182	S	34.2	Very low	35.5	Very low	109 Å²	109	126.9 Å²	126.9	76%	0.762	72%	0.716	S	S	*	*				26.6	159.4	112.6	62.9	0	0	0	0	124
183	P	41.6	Very low	34	Very low	130 Å²	130	130.6 Å²	130.6	84%	0.844	73%	0.734	S	S	*	*				-144.4	171	94.5	40.3	-25.6	0	0	0	117.3
184	E	33.8	Very low	33.2	Very low	155 Å²	155	135 Å²	135	72%	0.724	74%	0.739	S	S	*	*			trans	-131.7	161.3	179.4	-56.2	176.2	127.4	0	0	112.4	F186	E184-F186 HydrophobicContact CB-CD2 4.36Å; E184-F186 HydrophobicContact CB-CE2 4.34Å
185	V	33.6	Very low	32.4	Very low	147 Å²	147	137.7 Å²	137.7	89%	0.891	75%	0.751	S	S	*	*			trans	-155.5	159.7	156.5	-162.5	0	0	0	0	109.6
186	F	27.2	Very low	32	Very low	158 Å²	158	142.5 Å²	142.5	69%	0.693	75%	0.754	S	S	*	*				-168.2	169	-78.1	-121.1	-80.2	0	0	0	109.5	E184	E184-F186 HydrophobicContact CB-CD2 4.36Å; E184-F186 HydrophobicContact CB-CE2 4.34Å
187	S	29.9	Very low	31.3	Very low	109 Å²	109	143.5 Å²	143.5	76%	0.762	75%	0.75	S	S	*	*			trans	117.5	133.9	163.1	-55.8	0	0	0	0	115.5
188	N	28.7	Very low	31.9	Very low	127 Å²	127	139.5 Å²	139.5	68%	0.679	74%	0.737	S	S	*	*			cis	-160.3	-178.6	-19	-143.4	56.2	0	0	0	112.3
189	D	27.9	Very low	30.2	Very low	125 Å²	125	139.4 Å²	139.4	67%	0.668	73%	0.731	S	S	*	*			trans	71.1	120.1	166.7	-51.5	-24.7	0	0	0	116.7
190	N	26.5	Very low	30.4	Very low	136 Å²	136	137.7 Å²	137.7	73%	0.727	73%	0.725	S	S	*	*			cis	-147.8	139	34.4	-91	-66.8	0	0	0	115.6
191	Y	28.3	Very low	30.1	Very low	208 Å²	208	142.3 Å²	142.3	82%	0.816	73%	0.727	S	S	*	*			trans	67.6	111.7	150	-81.5	-90.4	0	0	0	125
192	S	27.5	Very low	30.1	Very low	96 Å²	96	142.9 Å²	142.9	67%	0.671	73%	0.726	S	S	*	*			trans	78.3	102.7	132.7	63.7	0	0	0	0	124.1
193	D	29.7	Very low	29.7	Very low	132 Å²	132	145.8 Å²	145.8	71%	0.706	73%	0.73	S	S	*	*				82.5	102.9	117.7	-70.8	26.3	0	0	0	124.8
194	Y	30	Very low	29	Very low	187 Å²	187	145.1 Å²	145.1	73%	0.733	72%	0.723	S	S	*	*				68.6	113.1	124.8	-66.8	-53.6	0	0	0	124.3
195	N	29.6	Very low	28.8	Very low	130 Å²	130	143.2 Å²	143.2	70%	0.695	73%	0.727	S	S	*	*				116.6	123.5	111.1	-85.2	-17.4	0	0	0	121.8
196	Y	28.1	Very low	28.7	Very low	214 Å²	214	139.6 Å²	139.6	84%	0.839	72%	0.72	S	S	*	*			trans	88.4	134	138.5	-98.5	-97.1	0	0	0	124.9
197	E	22.3	Very low	29.2	Very low	144 Å²	144	142.7 Å²	142.7	67%	0.673	73%	0.727	S	S	*	*			trans	-64.7	-177	160.5	-103.1	-158.6	168.4	0	0	113.5
198	P	43.9	Very low	29.5	Very low	92 Å²	92	142.2 Å²	142.2	60%	0.597	72%	0.716	S	S	*	*			cis	-143.4	-154.9	-30.4	36.3	-14.1	0	0	0	113.5
199	D	28.4	Very low	29.9	Very low	107 Å²	107	141.5 Å²	141.5	57%	0.572	71%	0.712	S	S	*	*			trans	97.2	123.6	134.2	-108.8	0.3	0	0	0	123.8
200	R	27.1	Very low	30.4	Very low	185 Å²	185	138.7 Å²	138.7	70%	0.698	70%	0.702	S	S	*	*			trans	66	130.8	131.3	-79.1	170.3	-146.1	-175.7	16.3	125.4
201	R	27.7	Very low	31.5	Very low	209 Å²	209	140.3 Å²	140.3	79%	0.789	71%	0.71	S	S	*	*				86.2	118	127.3	-81.6	178	173.5	176.1	-3.3	122.5
202	S	25.8	Very low	31.7	Very low	101 Å²	101	137 Å²	137	71%	0.706	70%	0.702	S	S	*	*				95.4	130.1	113.7	74.8	0	0	0	0	124.1
203	M	25.6	Very low	32.1	Very low	170 Å²	170	142.2 Å²	142.2	84%	0.837	71%	0.706	S	S	*	*				73.3	109.3	129.4	-64.1	-79.8	177.4	0	0	124.4
204	T	26.2	Very low	32.3	Very low	115 Å²	115	145 Å²	145	71%	0.706	71%	0.707	S	S	*	*				89.3	119.9	109.6	-56.1	0	0	0	0	125.3
205	S	30	Very low	32.4	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	70%	0.702	S	S	*	*			trans	66.4	128	142.8	72.6	0	0	0	0	128.3
206	G	31.5	Very low	32.5	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	70%	0.7	S	S	*	*				108.5	123.3	106.7	0	0	0	0	0	126.7
207	R	37.8	Very low	32.8	Very low	223 Å²	223	137.2 Å²	137.2	84%	0.842	70%	0.695	S	S	*	*			trans	74.6	161	143.2	-48.1	-153.6	68.3	157.4	-3.1	121.8
208	D	36.4	Very low	33.4	Very low	99 Å²	99	135.9 Å²	135.9	53%	0.529	69%	0.693	S	S	.	*			cis	-148.8	-97.6	-8.6	-131.5	56.7	0	0	0	123.4
209	N	36.8	Very low	32.9	Very low	112 Å²	112	141 Å²	141	60%	0.599	70%	0.7	S	S	*	*			trans	-141	178.9	-141.4	-116.7	-67.5	0	0	0	117.1
210	S	39.1	Very low	33.1	Very low	66 Å²	66	140.7 Å²	140.7	46%	0.462	70%	0.698	S	S	.	*			cis	-156.9	-147.3	10	52.1	0	0	0	0	115.1	R233	S210-R233 PolarHBondContact OG-N 2.83Å
211	L	48.9	Very low	33.9	Very low	170 Å²	170	142.2 Å²	142.2	89%	0.89	71%	0.706	S	S	*	*			trans	-148.5	153.2	-169.9	-77.1	170.3	0	0	0	117.2
212	E	33.2	Very low	34.3	Very low	139 Å²	139	138.1 Å²	138.1	65%	0.65	70%	0.699	S	S	*	*			trans	166.6	132.9	138.3	-87	-107.3	121.3	0	0	118.5
213	R	35.8	Very low	34.7	Very low	204 Å²	204	143.1 Å²	143.1	77%	0.77	70%	0.703	S	S	*	*			trans	51.9	-171.4	144.4	-61	-173.4	-158	163.2	28	122.9
214	R	34.1	Very low	35	Very low	190 Å²	190	141.4 Å²	141.4	72%	0.717	70%	0.697	S	S	*	*				-175.1	130.5	-79.7	178.9	-169.8	176.1	-77.3	2.2	115.2	Y216	R214-Y216 VanDerWaalsContact NH2-CE2 3.27Å
215	G	31.1	Very low	35.3	Very low	60 Å²	60	145.2 Å²	145.2	62%	0.619	70%	0.7	S	S	*	*			trans	138.8	110.3	158.6	0	0	0	0	0	113.9
216	Y	32.6	Very low	35.4	Very low	171 Å²	171	146.2 Å²	146.2	67%	0.671	70%	0.696	S	S	*	*				79.3	114.2	62.8	-73	21.6	0	0	0	112.6	R214	R214-Y216 VanDerWaalsContact NH2-CE2 3.27Å
217	D	34.9	Very low	35.3	Very low	137 Å²	137	154.2 Å²	154.2	73%	0.733	70%	0.704	S	S	*	*			cis	-126.8	-103.7	-14	-76.4	-67.2	0	0	0	109.9
218	D	33.4	Very low	34.7	Very low	116 Å²	116	147.2 Å²	147.2	62%	0.62	70%	0.702	S	S	*	*			cis	-171.5	116.6	-18.3	-156.5	45.9	0	0	0	105.4
219	R	35.1	Very low	34.3	Very low	201 Å²	201	154 Å²	154	76%	0.758	72%	0.72	S	S	*	*			cis	-149.5	-159.5	-6.6	-53.4	179.7	-163.3	132.6	28.7	105.9
220	N	33	Very low	33.8	Very low	99 Å²	99	153.9 Å²	153.9	53%	0.529	73%	0.728	S	S	.	*			cis	-166.7	138	-5	-143.6	38.3	0	0	0	106.4
221	Y	43.9	Very low	33.1	Very low	217 Å²	217	155 Å²	155	85%	0.851	74%	0.741	S	S	*	*	S	Bend	cis	-110.7	43.1	-25.5	-67	-75	0	0	0	108.5
222	D	35.6	Very low	32	Very low	123 Å²	123	152.3 Å²	152.3	66%	0.658	72%	0.724	S	S	*	*			trans	-93.6	176.3	-143.2	-150.4	9.9	0	0	0	117
223	R	32.8	Very low	31.7	Very low	206 Å²	206	152.6 Å²	152.6	78%	0.777	72%	0.719	S	S	*	*			trans	-41.7	146.2	-176.5	-67.3	143.7	-155.4	-153.4	-1.5	116
224	N	33.3	Very low	31.3	Very low	135 Å²	135	148.8 Å²	148.8	72%	0.722	71%	0.714	S	S	*	*			cis	89.4	130.5	43.2	-154.7	22.7	0	0	0	113.5
225	Y	31.5	Very low	31.1	Very low	194 Å²	194	147.4 Å²	147.4	76%	0.761	72%	0.72	S	S	*	*			trans	87.2	128.5	174	-75.8	-87.7	0	0	0	124
226	D	32.5	Very low	31	Very low	137 Å²	137	149.4 Å²	149.4	73%	0.733	72%	0.724	S	S	*	*			trans	89	135.9	138.6	-86.6	-45.1	0	0	0	127.3
227	R	29.5	Very low	31.4	Very low	239 Å²	239	146.6 Å²	146.6	90%	0.902	73%	0.727	S	S	*	*			trans	60.4	106.4	152.1	-69.3	176.9	171.7	164.5	-1.7	124.2
228	G	26.3	Very low	31.2	Very low	76 Å²	76	146.2 Å²	146.2	78%	0.784	73%	0.725	S	S	*	*				105.5	144.4	107.2	0	0	0	0	0	123.4
229	R	27.2	Very low	30.9	Very low	242 Å²	242	151.5 Å²	151.5	91%	0.913	74%	0.736	S	S	*	*			trans	63.4	136.4	150.3	-80.4	-169.1	173.5	-158.2	0.2	124
230	S	25.4	Very low	30.6	Very low	109 Å²	109	145.7 Å²	145.7	76%	0.762	74%	0.739	S	S	*	*			trans	60.2	148.9	153.2	36.5	0	0	0	0	119.1
231	A	26.3	Very low	30.4	Very low	90 Å²	90	151.4 Å²	151.4	74%	0.744	75%	0.754	S	S	*	*			cis	103.9	122.7	12.3	0	0	0	0	0	116.7
232	E	24.8	Very low	29.6	Very low	113 Å²	113	152.2 Å²	152.2	53%	0.528	76%	0.756	S	S	.	*			trans	68.6	134.7	155.4	-65.2	-163.9	137.2	0	0	123.6
233	R	26.6	Very low	29.3	Very low	146 Å²	146	157.4 Å²	157.4	55%	0.551	77%	0.766	S	S	*	*				88.5	140.5	126.9	-89.2	-170.8	-103.6	-136.8	-6.2	124	S210	S210-R233 PolarHBondContact OG-N 2.83Å
234	D	27.4	Very low	29.1	Very low	123 Å²	123	154.4 Å²	154.4	66%	0.658	77%	0.766	S	S	*	*			trans	63	125.2	135.1	-61.8	-7.3	0	0	0	120.6
235	L	29.3	Very low	28.8	Very low	162 Å²	162	151.5 Å²	151.5	85%	0.848	77%	0.768	S	S	*	*				-167.7	149.3	50.5	-112.6	134.7	0	0	0	114
236	S	30.7	Very low	28.8	Very low	101 Å²	101	147 Å²	147	71%	0.706	76%	0.764	S	S	*	*			trans	-75.7	163.3	157.6	-56.9	0	0	0	0	111
237	P	41.1	Very low	28.7	Very low	113 Å²	113	152.4 Å²	152.4	73%	0.734	77%	0.774	S	S	*	*				-152.5	139.7	107.7	34.2	-15.3	0	0	0	118.7
238	N	29.2	Very low	28.5	Very low	128 Å²	128	144.2 Å²	144.2	68%	0.684	77%	0.765	S	S	*	*			trans	81.1	124.2	133.3	-81.6	-46.3	0	0	0	124.6
239	R	27.9	Very low	28.8	Very low	228 Å²	228	152 Å²	152	86%	0.86	77%	0.771	S	S	*	*			trans	74.7	126.5	133.9	-65.7	170.6	-175.8	-166.4	-1.6	120.4
240	G	28.7	Very low	28.8	Very low	78 Å²	78	145.9 Å²	145.9	80%	0.804	76%	0.76	S	S	*	*			trans	175.6	90.1	164.2	0	0	0	0	0	112.3
241	Y	27.8	Very low	29	Very low	220 Å²	220	147.6 Å²	147.6	86%	0.863	76%	0.76	S	S	*	*			trans	-72.8	151.6	-179.3	-82.7	-101.3	0	0	0	113.1
242	R	28.2	Very low	29.1	Very low	234 Å²	234	149.5 Å²	149.5	88%	0.883	76%	0.757	S	S	*	*			trans	30.9	127.3	144.5	-58.1	-101.8	-164.3	175.4	3.5	116.7
243	R	29	Very low	29.4	Very low	231 Å²	231	154.9 Å²	154.9	87%	0.872	77%	0.773	S	S	*	*				174.3	143.8	78.8	-178.4	172.2	-167.1	172.5	4.6	112.1
244	D	28	Very low	29.5	Very low	144 Å²	144	155.4 Å²	155.4	77%	0.77	79%	0.787	S	S	*	*			trans	-9.1	139	151.5	-177.9	25.7	0	0	0	119.3
245	G	28.2	Very low	29.5	Very low	74 Å²	74	160 Å²	160	76%	0.763	80%	0.796	S	S	*	*			trans	179.4	89.1	-179.7	0	0	0	0	0	116.6
246	S	30.4	Very low	29.7	Very low	98 Å²	98	156.7 Å²	156.7	69%	0.685	79%	0.787	S	S	*	*			trans	-61.5	164.4	179.6	-56.5	0	0	0	0	117.8
247	R	29.8	Very low	30.8	Very low	251 Å²	251	157.1 Å²	157.1	95%	0.947	79%	0.787	S	S	*	*			trans	81.9	154	167.5	-49.8	155.9	-179.9	164.3	-1.2	115.2
248	G	27	Very low	30.3	Very low	68 Å²	68	156.6 Å²	156.6	70%	0.701	78%	0.778	S	S	*	*			cis	146.6	139.9	-12.8	0	0	0	0	0	114.9
249	R	30.8	Very low	30.6	Very low	240 Å²	240	159.3 Å²	159.3	91%	0.906	78%	0.779	S	S	*	*			trans	85.2	132.6	169.5	-55.4	-172.2	177.2	-169.4	0.8	120.3
250	T	27.3	Very low	30.7	Very low	112 Å²	112	156.3 Å²	156.3	69%	0.687	77%	0.768	S	S	*	*			trans	59.3	119.4	134.3	57.6	0	0	0	0	124.4
251	L	30.7	Very low	30.7	Very low	146 Å²	146	161 Å²	161	76%	0.764	76%	0.762	S	S	*	*				84.1	153.2	121.1	-70.9	174	0	0	0	123
252	D	27.9	Very low	30.6	Very low	129 Å²	129	160.5 Å²	160.5	69%	0.69	76%	0.759	S	S	*	*			trans	63.1	93.7	154.4	-55	-29.4	0	0	0	122.1
253	R	31.9	Very low	30.6	Very low	226 Å²	226	153.7 Å²	153.7	85%	0.853	75%	0.747	S	S	*	*				31.7	118.9	101.8	-169.8	-171.2	-151.2	172.6	5.1	117.3
254	D	27.2	Very low	30.7	Very low	158 Å²	158	150 Å²	150	85%	0.845	74%	0.74	S	S	*	*				-164.3	-167	126.5	-109.3	-13.1	0	0	0	114.4
255	Y	27.7	Very low	30.7	Very low	218 Å²	218	153.2 Å²	153.2	86%	0.855	74%	0.741	S	S	*	*			trans	-109.7	177.5	-143.3	-142.1	-113.3	0	0	0	117
256	S	33.7	Very low	30.9	Very low	93 Å²	93	154.5 Å²	154.5	65%	0.65	73%	0.734	S	S	*	*			trans	-67.1	-170	175.3	-39.9	0	0	0	0	113.2
257	P	55.3	Low	31	Very low	111 Å²	111	156.7 Å²	156.7	72%	0.721	74%	0.738	S	S	*	*			cis	-148.8	-172.7	10.9	45.8	-25.4	0	0	0	117.9
258	D	30.5	Very low	31.1	Very low	101 Å²	101	151.3 Å²	151.3	54%	0.54	73%	0.728	S	S	.	*				-172.4	129.9	123.1	-116.4	33.3	0	0	0	110.5
259	R	33.7	Very low	31.1	Very low	185 Å²	185	158 Å²	158	70%	0.698	73%	0.732	S	S	*	*				75	148.7	91.1	-70.7	-165.9	-122.8	-141.1	2.7	115.7
260	R	30.8	Very low	30.9	Very low	165 Å²	165	151.8 Å²	151.8	62%	0.623	72%	0.717	S	S	*	*			cis	-161.1	162.4	11.6	-139.3	178.4	-79.6	-147.3	-0.3	114.6
261	Y	28.8	Very low	30.9	Very low	177 Å²	177	156.8 Å²	156.8	69%	0.694	73%	0.725	S	S	*	*			trans	113.6	127.8	132.3	-100.4	-48	0	0	0	125
262	R	26.2	Very low	30.7	Very low	209 Å²	209	154.8 Å²	154.8	79%	0.789	72%	0.723	S	S	*	*			trans	73.3	108.3	147.6	-98.3	150.3	-174.4	-99.6	-5.5	118.4
263	S	28.6	Very low	31.5	Very low	92 Å²	92	154.4 Å²	154.4	64%	0.643	73%	0.727	S	S	*	*			cis	91	147.3	41.4	86	0	0	0	0	113.4
264	E	30.1	Very low	31.4	Very low	154 Å²	154	150.4 Å²	150.4	72%	0.72	72%	0.723	S	S	*	*			cis	-167	-175.9	11.3	-149.4	178.7	-113	0	0	112.4
265	R	28.3	Very low	31.3	Very low	210 Å²	210	152.7 Å²	152.7	79%	0.792	72%	0.719	S	S	*	*			trans	91.6	138.4	158.2	-54.2	-149.1	171.2	-178.9	-1.2	118.9
266	T	31.9	Very low	31.2	Very low	101 Å²	101	152.4 Å²	152.4	62%	0.62	72%	0.717	S	S	*	*			cis	-167.8	139.6	-12.1	21	0	0	0	0	112.2
267	L	33.2	Very low	31.1	Very low	144 Å²	144	159 Å²	159	75%	0.754	73%	0.729	S	S	*	*			trans	63.2	149	140.1	-52.8	169.3	0	0	0	119.4
268	D	31.3	Very low	29.7	Very low	138 Å²	138	164.5 Å²	164.5	74%	0.738	74%	0.736	S	S	*	*			cis	-168.2	175.7	-11.4	-118	-0.6	0	0	0	114.3
269	R	27.6	Very low	29.3	Very low	209 Å²	209	163.8 Å²	163.8	79%	0.789	74%	0.739	S	S	*	*			trans	105.3	109.1	151.9	-56.7	-153.2	91.6	133.1	7.7	122
270	D	26.7	Very low	28.9	Very low	110 Å²	110	162.7 Å²	162.7	59%	0.588	74%	0.742	S	S	*	*				88.9	95.5	120.6	-58.1	-2.6	0	0	0	123.8
271	Y	28	Very low	28.7	Very low	217 Å²	217	165.7 Å²	165.7	85%	0.851	75%	0.753	S	S	*	*				60	113.7	121	-94	-103.4	0	0	0	123.9
272	S	26.3	Very low	28.5	Very low	104 Å²	104	162.8 Å²	162.8	73%	0.727	75%	0.754	S	S	*	*				26.2	159.9	110	-76	0	0	0	0	122.7
273	P	43.9	Very low	28.5	Very low	120 Å²	120	159.5 Å²	159.5	78%	0.779	75%	0.751	S	S	*	*			cis	-140.5	-166.7	4.3	39.2	-17.6	0	0	0	116.4
274	D	29.6	Very low	28.6	Very low	143 Å²	143	160.4 Å²	160.4	77%	0.765	75%	0.748	S	S	*	*			trans	-53.1	155.1	169.4	-60.3	-66.7	0	0	0	117
275	R	26.2	Very low	28.4	Very low	205 Å²	205	162.6 Å²	162.6	77%	0.774	75%	0.75	S	S	*	*				170.8	149.9	101.8	-92.8	-175.5	-172.7	-159.4	0.7	117
276	R	25.4	Very low	28.2	Very low	213 Å²	213	158 Å²	158	80%	0.804	74%	0.741	S	S	*	*			trans	78.5	121.3	146.7	-85.4	-172.6	-97.7	-133.8	2.9	121.7
277	Y	30.2	Very low	28	Very low	231 Å²	231	163.6 Å²	163.6	91%	0.906	75%	0.753	S	S	*	*			trans	-31.7	141.9	144.7	-105.3	-113.3	0	0	0	115.2
278	R	25.8	Very low	28	Very low	226 Å²	226	161.3 Å²	161.3	85%	0.853	75%	0.749	S	S	*	*			trans	-146.8	164.2	137.8	-154.4	161.8	-167.2	-131.4	-4.4	111.6
279	S	23.4	Very low	28.1	Very low	87 Å²	87	160.6 Å²	160.6	61%	0.608	75%	0.752	S	S	*	*			trans	-89.3	-177.8	-167.4	47.5	0	0	0	0	115.2
280	E	25.5	Very low	28.4	Very low	162 Å²	162	158.1 Å²	158.1	76%	0.757	75%	0.749	S	S	*	*			trans	107.2	82.7	157.1	-64.6	172.7	-151.7	0	0	118.1
281	R	24.8	Very low	29	Very low	228 Å²	228	156.9 Å²	156.9	86%	0.86	75%	0.747	S	S	*	*				2.5	155.4	112.5	-160.1	-175	-63	-155.8	2.4	116.7
282	T	25.6	Very low	28.8	Very low	116 Å²	116	156.1 Å²	156.1	71%	0.712	74%	0.742	S	S	*	*			trans	91.6	142.4	174.5	75.6	0	0	0	0	114.5
283	L	26.6	Very low	28.8	Very low	139 Å²	139	160.6 Å²	160.6	73%	0.728	75%	0.745	S	S	*	*			cis	-154.6	-167.9	-12.2	-120.2	170.6	0	0	0	110.2
284	D	29.5	Very low	27.9	Very low	111 Å²	111	165.2 Å²	165.2	59%	0.594	75%	0.747	S	S	*	*			trans	77.1	123.7	171	-74.4	16	0	0	0	117.1
285	R	27.1	Very low	27.7	Very low	201 Å²	201	163 Å²	163	76%	0.758	74%	0.743	S	S	*	*			cis	-156.2	136.1	-4.9	-139	164.3	-176	147.4	-10.3	116.3
286	D	24.1	Very low	27.7	Very low	112 Å²	112	160.2 Å²	160.2	60%	0.599	74%	0.738	S	S	*	*			trans	-13.8	127.9	156.1	-33	-50.1	0	0	0	117.5
287	Y	27.1	Very low	27.7	Very low	220 Å²	220	160.2 Å²	160.2	86%	0.863	74%	0.738	S	S	*	*				-171.9	143.5	87	-116.7	-93	0	0	0	111.9
288	S	34.1	Very low	27.4	Very low	96 Å²	96	153.5 Å²	153.5	67%	0.671	73%	0.731	S	S	*	*			trans	-104.9	144	161.4	-175.7	0	0	0	0	108.3	E290	S288-E290 PolarHBondContact OG-N 2.89Å
289	P	32.5	Very low	27.6	Very low	123 Å²	123	150.3 Å²	150.3	80%	0.799	73%	0.729	S	S	*	*				-145.7	119.9	106.3	32.6	-14.7	0	0	0	115.4
290	E	34.8	Very low	27.7	Very low	157 Å²	157	151.5 Å²	151.5	73%	0.734	73%	0.729	S	S	*	*			trans	-60.8	163.4	135.6	-128.2	-141.8	-118.6	0	0	108.5	S288 R292	S288-E290 PolarHBondContact OG-N 2.89Å; E290-R292 PolarHBondContact OE2-N 2.89Å
291	P	38.1	Very low	27.7	Very low	83 Å²	83	152.4 Å²	152.4	54%	0.539	73%	0.726	S	S	.	*			cis	-159.9	-178.8	47.8	40.4	-15.3	0	0	0	120.5
292	R	25.1	Very low	27.8	Very low	202 Å²	202	142.6 Å²	142.6	76%	0.762	69%	0.693	S	S	*	*			trans	72	151.1	160.6	-39.7	-179.4	-175	147.6	5.6	115.8	E290	E290-R292 PolarHBondContact OE2-N 2.89Å
293	Y	25.9	Very low	28.1	Very low	197 Å²	197	140.6 Å²	140.6	77%	0.773	68%	0.682	S	S	*	*			cis	-139.8	162.6	17.6	-107.3	-85.5	0	0	0	107.9
294	R	24.4	Very low	28.3	Very low	218 Å²	218	138 Å²	138	82%	0.823	68%	0.676	S	S	*	*			cis	-158.2	155.8	13.8	-175.9	159.2	-165.4	163.7	5.9	110.8
295	S	25.1	Very low	28.6	Very low	97 Å²	97	138.6 Å²	138.6	68%	0.678	69%	0.686	S	S	*	*			trans	-112.7	168.2	164.4	54.1	0	0	0	0	113.2
296	E	25.6	Very low	28.6	Very low	146 Å²	146	136.3 Å²	136.3	68%	0.682	68%	0.684	S	S	*	*			trans	83.7	152.7	168.7	-52.8	-161.8	151.4	0	0	121.7
297	R	27.1	Very low	29.2	Very low	212 Å²	212	135.2 Å²	135.2	80%	0.8	68%	0.682	S	S	*	*			trans	81.6	117.9	161.3	-46.9	-163.2	-173.1	-165.5	-4	115.1
298	A	23.8	Very low	29.2	Very low	91 Å²	91	136 Å²	136	75%	0.752	68%	0.684	S	S	*	*			cis	70	101	23.7	0	0	0	0	0	115.8
299	L	28.3	Very low	28.7	Very low	158 Å²	158	142 Å²	142	83%	0.827	69%	0.693	S	S	*	*			trans	45	149	143.2	-66.3	177.7	0	0	0	123.5
300	D	25.7	Very low	28.4	Very low	113 Å²	113	146.8 Å²	146.8	60%	0.604	70%	0.696	S	S	*	*			trans	72.2	103.6	150.3	-58.8	-14.2	0	0	0	123
301	R	25.7	Very low	28	Very low	181 Å²	181	144.6 Å²	144.6	68%	0.683	70%	0.698	S	S	*	*				-159.3	161.8	128	-128.4	46.4	-132.3	135.1	1.9	108.9	P1056	R301-P1056 CarbonylContact C-O 3.51Å; R301-P1056 CarbonylContact O-C 3.6Å; R301-P1056 WeakPolarHBondContact O-CA 3.48Å; R301-P1056 VanDerWaalsContact O-O 3.08Å
302	A	26.8	Very low	27.8	Very low	22 Å²	22	149.1 Å²	149.1	18%	0.182	71%	0.712	C	S	.	*			cis	158.1	23.3	-15	0	0	0	0	0	118	V1054 P1056	A302-V1054 HydrophobicContact CB-CB 4.42Å; A302-V1054 HydrophobicContact CB-CG1 3.93Å; A302-V1054 WeakPolarHBondContact CB-O 3.42Å; A302-P1056 PolarHBondContact N-O 2.84Å
303	P	32.3	Very low	28.2	Very low	73 Å²	73	149.9 Å²	149.9	47%	0.474	71%	0.714	S	S	.	*				-154.8	136.7	123.5	36.9	-18.5	0	0	0	118.5	L1055 P1056	P303-L1055 CarbonylContact C-O 3.59Å; P303-L1055 WeakPolarHBondContact CA-O 3.49Å; P303-P1056 VanDerWaalsContact C-CD 3.43Å; P303-P1056 WeakPolarHBondContact CD-O 3.29Å; P303-P1056 WeakPolarHBondContact O-CD 3.44Å
304	S	30.1	Very low	28.1	Very low	85 Å²	85	144.9 Å²	144.9	59%	0.594	71%	0.714	S	S	*	*			trans	-74.3	155	156.4	-175.7	0	0	0	0	110.4	L1055	S304-L1055 PolarHBondContact N-O 3.41Å; S304-L1055 VanDerWaalsContact N-O 3.09Å
305	P	37.7	Very low	28.5	Very low	123 Å²	123	141.1 Å²	141.1	80%	0.799	71%	0.71	S	S	*	*				-145.6	147.7	106.8	37.1	-22	0	0	0	117.5
306	E	26.5	Very low	28.6	Very low	154 Å²	154	142 Å²	142	72%	0.72	71%	0.707	S	S	*	*			trans	-52.7	-179.9	154.6	-107.1	-152.9	137.4	0	0	114.7
307	P	35.8	Very low	28.6	Very low	88 Å²	88	144.8 Å²	144.8	57%	0.571	71%	0.711	S	S	*	*			cis	-136.7	165.9	2	28	-5.5	0	0	0	116.2
308	R	27.6	Very low	28.8	Very low	238 Å²	238	138.7 Å²	138.7	90%	0.898	71%	0.706	S	S	*	*				172.4	132.7	107.6	-91.3	170.6	-171.6	176.2	4.4	114.5
309	Y	24.2	Very low	29.6	Very low	220 Å²	220	140 Å²	140	86%	0.863	71%	0.707	S	S	*	*			trans	-73.2	175.6	175.4	-120.7	-103.2	0	0	0	114.4
310	R	25.2	Very low	29.7	Very low	225 Å²	225	137.6 Å²	137.6	85%	0.849	70%	0.703	S	S	*	*			trans	90.8	112.6	146.1	-175.9	-169	-92.9	-172.3	-5.3	118.5
311	S	26.4	Very low	30.7	Very low	111 Å²	111	137.6 Å²	137.6	78%	0.776	71%	0.709	S	S	*	*				-164.8	119.4	91.3	55.1	0	0	0	0	115.4
312	E	34.3	Very low	30.8	Very low	178 Å²	178	136.1 Å²	136.1	83%	0.832	71%	0.71	S	S	*	*			trans	-92.4	169.2	136.2	-73.1	-168.3	142.1	0	0	108.9
313	R	32.4	Very low	31.7	Very low	217 Å²	217	139 Å²	139	82%	0.819	73%	0.727	S	S	*	*			trans	81.6	129.9	169.7	-51.9	177.5	177.9	-177.5	-2.6	118.7
314	A	25.5	Very low	31.6	Very low	93 Å²	93	143.5 Å²	143.5	77%	0.769	74%	0.735	S	S	*	*				-111.5	128.5	107.1	0	0	0	0	0	106.2
315	L	32.9	Very low	31.7	Very low	139 Å²	139	149.1 Å²	149.1	73%	0.728	74%	0.744	S	S	*	*				65	127.7	68.7	-60.3	173.8	0	0	0	111
316	D	26.9	Very low	31.2	Very low	116 Å²	116	146.5 Å²	146.5	62%	0.62	74%	0.739	S	S	*	*			cis	-124.5	178.4	36.9	-115.6	-17.8	0	0	0	113.8
317	R	26	Very low	31.3	Very low	203 Å²	203	150 Å²	150	77%	0.766	75%	0.746	S	S	*	*			cis	-153.5	135.4	18.4	-164.3	68.9	176.8	175.4	3.2	113.4
318	A	29.6	Very low	31.1	Very low	85 Å²	85	152.1 Å²	152.1	70%	0.702	75%	0.753	S	S	*	*			trans	46.2	156.9	151.8	0	0	0	0	0	124.1
319	P	42.5	Very low	31.1	Very low	118 Å²	118	144.1 Å²	144.1	77%	0.766	74%	0.744	S	S	*	*			trans	-138	-173.7	-158.5	40.3	-19.2	0	0	0	118.9
320	S	30.4	Very low	31.5	Very low	107 Å²	107	144.4 Å²	144.4	75%	0.748	75%	0.745	S	S	*	*			trans	96.6	158.4	151.9	-54	0	0	0	0	119.6
321	P	44.8	Very low	31.9	Very low	113 Å²	113	138.7 Å²	138.7	73%	0.734	74%	0.74	S	S	*	*				-145.4	153.8	-51.3	40.9	-24.5	0	0	0	117.5
322	E	29.6	Very low	32.8	Very low	151 Å²	151	139.6 Å²	139.6	71%	0.706	74%	0.743	S	S	*	*			trans	59.3	168.5	145.2	-81.3	-135.4	153.1	0	0	122.7	R324	E322-R324 IonicContact OE1-NH2 3.57Å; E322-R324 IonicContact OE2-CZ 2.85Å; E322-R324 IonicContact OE2-NH2 2.65Å; E322-R324 PolarHBondContact OE2-NH2 2.9Å
323	P	43.8	Very low	32.6	Very low	83 Å²	83	134.9 Å²	134.9	54%	0.539	74%	0.742	S	S	.	*			cis	-145.3	156.8	-29.4	33.9	-14.1	0	0	0	120.3
324	R	31.5	Very low	32.4	Very low	166 Å²	166	136.8 Å²	136.8	63%	0.626	75%	0.749	S	S	*	*			trans	64.9	171.2	150.4	-56.8	151.8	-142.6	175.2	13.4	116.5	E322	E322-R324 IonicContact OE1-NH2 3.57Å; E322-R324 IonicContact OE2-CZ 2.85Å; E322-R324 IonicContact OE2-NH2 2.65Å; E322-R324 PolarHBondContact OE2-NH2 2.9Å
325	Y	31.6	Very low	32.5	Very low	204 Å²	204	136 Å²	136	80%	0.8	75%	0.751	S	S	*	*			cis	-141.1	-178.7	0	-73.5	-77	0	0	0	108.5
326	G	28.3	Very low	32.4	Very low	67 Å²	67	137.1 Å²	137.1	69%	0.691	75%	0.752	S	S	*	*			cis	139.9	143.1	-10.4	0	0	0	0	0	115.7
327	R	28.4	Very low	32.5	Very low	227 Å²	227	140.8 Å²	140.8	86%	0.857	76%	0.757	S	S	*	*			trans	84.1	146.6	156.9	-145.5	177	-168.1	-131	-12.7	121.1
328	D	31.6	Very low	32.7	Very low	134 Å²	134	141.3 Å²	141.3	72%	0.717	76%	0.759	S	S	*	*			cis	-161	158.9	-36.2	-87.5	-16.2	0	0	0	109.4
329	G	26.9	Very low	32.6	Very low	70 Å²	70	143.5 Å²	143.5	72%	0.722	76%	0.759	S	S	*	*			trans	168.2	138.7	161.9	0	0	0	0	0	116.3
330	Y	32.8	Very low	32.6	Very low	225 Å²	225	143.4 Å²	143.4	88%	0.882	76%	0.759	S	S	*	*			trans	-149.7	122.9	-170	-104.4	-90.6	0	0	0	116.2
331	S	32.9	Very low	32.6	Very low	105 Å²	105	142.7 Å²	142.7	73%	0.734	75%	0.754	S	S	*	*			trans	50.8	-178.3	145.9	-52.4	0	0	0	0	120.6
332	P	45.8	Very low	31.8	Very low	131 Å²	131	146.4 Å²	146.4	85%	0.851	76%	0.759	S	S	*	*			cis	-127	-174	-18.6	41.8	-26.4	0	0	0	114.2
333	G	29.2	Very low	31.8	Very low	79 Å²	79	145.3 Å²	145.3	81%	0.814	75%	0.754	S	S	*	*			trans	146.9	156.7	153.9	0	0	0	0	0	119.1
334	R	29.2	Very low	31	Very low	256 Å²	256	151.7 Å²	151.7	97%	0.966	77%	0.767	S	S	*	*			trans	-122.9	147.6	-177.4	-69.1	177.2	171.8	-126.6	6.4	114.2
335	G	26.6	Very low	30.9	Very low	78 Å²	78	147.5 Å²	147.5	80%	0.804	78%	0.776	S	S	*	*			trans	85	167.4	149.2	0	0	0	0	0	118.2
336	Q	32.4	Very low	30.6	Very low	161 Å²	161	148.8 Å²	148.8	75%	0.752	78%	0.779	S	S	*	*			cis	-167.9	145.1	-6.6	-149.1	-162.9	72	0	0	112.2
337	R	29.3	Very low	30.6	Very low	193 Å²	193	151 Å²	151	73%	0.728	78%	0.775	S	S	*	*			trans	68.8	167.3	166.2	-54.9	-176.1	176.2	-91.7	3	117.3
338	R	28.7	Very low	30.5	Very low	214 Å²	214	149.7 Å²	149.7	81%	0.808	77%	0.77	S	S	*	*			cis	-155.9	175.3	11.8	-149.6	164.3	-174.4	-179.1	2.8	113.5
339	D	28.3	Very low	30.4	Very low	131 Å²	131	150 Å²	150	70%	0.701	77%	0.771	S	S	*	*			trans	-63.9	-179	-179.3	-37.8	-93.8	0	0	0	115.6
340	P	41.5	Very low	30.6	Very low	117 Å²	117	156.6 Å²	156.6	76%	0.76	78%	0.775	S	S	*	*			cis	-150.4	174	16.1	45.3	-23.5	0	0	0	121.9
341	S	31	Very low	31.1	Very low	92 Å²	92	151.6 Å²	151.6	64%	0.643	76%	0.763	S	S	*	*			trans	-15.8	144.5	161.5	60.2	0	0	0	0	124.3
342	F	28.7	Very low	31.9	Very low	190 Å²	190	151.6 Å²	151.6	83%	0.833	76%	0.76	S	S	*	*				172.2	146.9	99.8	-114.6	-77.2	0	0	0	117.1
343	E	29.5	Very low	31.5	Very low	129 Å²	129	155.9 Å²	155.9	60%	0.603	76%	0.76	S	S	*	*			trans	65.3	137.9	148.4	-107	-166.8	179.7	0	0	127.4
344	R	27.5	Very low	32	Very low	217 Å²	217	162.3 Å²	162.3	82%	0.819	76%	0.761	S	S	*	*			trans	36.4	134.4	147.4	-75.8	179.9	-132.1	-139.5	1.8	122.3
345	G	28	Very low	32.3	Very low	78 Å²	78	157.3 Å²	157.3	80%	0.804	75%	0.753	S	S	*	*			trans	171.2	107.1	142.4	0	0	0	0	0	119.1
346	R	26.9	Very low	32.4	Very low	231 Å²	231	161.8 Å²	161.8	87%	0.872	75%	0.753	S	S	*	*			trans	-73.6	167.1	149.2	-67.3	-178	-171	-170.9	4.3	109.4
347	D	26.7	Very low	33.2	Very low	112 Å²	112	159.1 Å²	159.1	60%	0.599	75%	0.75	S	S	*	*			cis	-161.8	155.1	3.1	-122.7	-46.6	0	0	0	106.9
348	R	27.9	Very low	33.2	Very low	201 Å²	201	155.1 Å²	155.1	76%	0.758	75%	0.747	S	S	*	*			trans	48.5	139	143.6	-70.8	176.4	-173	-140.4	-2.9	125
349	D	28.2	Very low	33.4	Very low	139 Å²	139	155.2 Å²	155.2	74%	0.743	75%	0.747	S	S	*	*			trans	62	156.8	140.1	-59	-38.7	0	0	0	120.6
350	R	32.3	Very low	33.4	Very low	210 Å²	210	159.3 Å²	159.3	79%	0.792	75%	0.753	S	S	*	*			cis	-176.4	133.8	-36.5	-171.2	-176.6	-178.6	-172.4	6.1	109.4
351	D	43.5	Very low	32.9	Very low	120 Å²	120	160.1 Å²	160.1	64%	0.642	76%	0.756	S	S	*	*			trans	62.4	176.5	164.6	-99.6	-59.1	0	0	0	117.2
352	P	48.1	Very low	32.8	Very low	104 Å²	104	160 Å²	160	68%	0.675	76%	0.76	S	S	*	*			cis	-136	159	-18.3	30.1	-8.8	0	0	0	117.7
353	R	38.8	Very low	32.9	Very low	221 Å²	221	156.3 Å²	156.3	83%	0.834	76%	0.758	S	S	*	*			trans	34.8	129.8	138.6	-56	-176.9	-171.5	-165.7	0.2	124.3
354	Y	38.5	Very low	32.9	Very low	215 Å²	215	160.8 Å²	160.8	84%	0.843	77%	0.77	S	S	*	*			trans	63.8	107	141.8	-87.8	-92.2	0	0	0	121.9
355	N	35.5	Very low	33.2	Very low	151 Å²	151	155.4 Å²	155.4	81%	0.807	76%	0.757	S	S	*	*			trans	16.7	110.9	154.8	-61.3	10.4	0	0	0	121.1
356	E	30.3	Very low	33.3	Very low	171 Å²	171	161.6 Å²	161.6	80%	0.799	76%	0.756	S	S	*	*			trans	18.3	156.7	134.1	-77.7	-138.5	104.8	0	0	123.7
357	P	47.4	Very low	33.4	Very low	106 Å²	106	157.4 Å²	157.4	69%	0.688	75%	0.75	S	S	*	*			cis	-132.2	150.2	11.3	17.3	8.8	0	0	0	118.6
358	V	30.3	Very low	33.6	Very low	109 Å²	109	157.3 Å²	157.3	66%	0.661	75%	0.75	S	S	*	*			trans	72	109	135.8	178.1	0	0	0	0	122.2
359	R	32.9	Very low	33.5	Very low	215 Å²	215	158.3 Å²	158.3	81%	0.811	75%	0.754	S	S	*	*			trans	91.7	115	141.7	-78.3	170.2	-173.9	-165.9	1	124.3
360	R	28.8	Very low	34	Very low	217 Å²	217	156.8 Å²	156.8	82%	0.819	75%	0.754	S	S	*	*			trans	92.2	108.3	136	-73.1	-177.5	172.6	176.1	-2.9	122.5
361	T	30	Very low	34.3	Very low	134 Å²	134	153 Å²	153	82%	0.822	76%	0.756	S	S	*	*			trans	76.1	121.8	132.7	51.5	0	0	0	0	124.9
362	A	28.1	Very low	33.7	Very low	89 Å²	89	152.8 Å²	152.8	74%	0.736	76%	0.764	S	S	*	*			trans	97.5	107.5	130.8	0	0	0	0	0	124.7
363	S	31.9	Very low	34.3	Very low	114 Å²	114	152.9 Å²	152.9	80%	0.797	77%	0.765	S	S	*	*			trans	74.2	135.6	130.5	66.6	0	0	0	0	126.3
364	R	30.2	Very low	34.1	Very low	223 Å²	223	148.6 Å²	148.6	84%	0.842	77%	0.766	S	S	*	*			trans	99	128.9	135.3	-98.1	-172.8	141.3	131.7	2.1	125.5
365	D	31.8	Very low	33.7	Very low	104 Å²	104	143.3 Å²	143.3	56%	0.556	77%	0.766	S	S	*	*			trans	68.4	122.1	137.7	-85	-65.1	0	0	0	125.6
366	R	30.1	Very low	33.9	Very low	208 Å²	208	141 Å²	141	79%	0.785	77%	0.769	S	S	*	*			trans	88.2	123	132.7	-68.3	169	-173.5	-152.4	-4.6	127.5
367	L	30.6	Very low	34.1	Very low	142 Å²	142	139 Å²	139	74%	0.743	77%	0.77	S	S	*	*			trans	76.4	137.1	130.2	-64.4	167.4	0	0	0	125.9
368	D	29.3	Very low	33.5	Very low	111 Å²	111	141.8 Å²	141.8	59%	0.594	78%	0.778	S	S	*	*			trans	67.3	165.5	151.4	-67.8	15.2	0	0	0	121.3
369	R	27.3	Very low	34.3	Very low	221 Å²	221	142.2 Å²	142.2	83%	0.834	78%	0.783	S	S	*	*			cis	-152.5	-157.2	-0	-142.4	157.2	-111.9	-108.5	-8.4	114.2
370	S	37.6	Very low	34.1	Very low	108 Å²	108	140 Å²	140	76%	0.755	79%	0.786	S	S	*	*			trans	-152.3	151.7	174.9	-45.3	0	0	0	0	113
371	P	38.6	Very low	34.8	Very low	129 Å²	129	135.2 Å²	135.2	84%	0.838	78%	0.783	S	S	*	*				-154.9	-150.6	118.7	39.8	-18.1	0	0	0	116.4
372	S	32.3	Very low	34.8	Very low	116 Å²	116	140.3 Å²	140.3	81%	0.811	79%	0.787	S	S	*	*			trans	-145.6	-139.1	-165.5	-56.7	0	0	0	0	118.5
373	P	60.8	Low	35.2	Very low	107 Å²	107	142.2 Å²	142.2	70%	0.695	79%	0.792	S	S	*	*				-135.1	-178.4	-122.8	44.2	-23.5	0	0	0	120.2
374	P	34.5	Very low	35.6	Very low	131 Å²	131	140.5 Å²	140.5	85%	0.851	79%	0.792	S	S	*	*			trans	-142.5	-171	147.9	31.7	-11.3	0	0	0	113.1
375	A	30.1	Very low	35.9	Very low	103 Å²	103	141.4 Å²	141.4	85%	0.851	80%	0.796	S	S	*	*			cis	-165.5	179	-33.9	0	0	0	0	0	109.6
376	A	38.5	Very low	36.2	Very low	103 Å²	103	143.9 Å²	143.9	85%	0.851	81%	0.809	S	S	*	*			trans	-154.7	168.9	-171.9	0	0	0	0	0	119.1
377	P	35.2	Very low	36.8	Very low	128 Å²	128	142.6 Å²	142.6	83%	0.831	81%	0.812	S	S	*	*			trans	-122.8	-178	168.6	40.6	-27.7	0	0	0	116.8
378	I	35.3	Very low	37.7	Very low	166 Å²	166	142.6 Å²	142.6	85%	0.851	81%	0.808	S	S	*	*			trans	-117.3	158	-159.2	-73	173.8	0	0	0	114.3
379	P	45.8	Very low	39	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	82%	0.818	S	S	*	*			trans	-111.1	-180	-163.1	42	-34.2	0	0	0	117.9
380	L	30	Very low	40.6	Very low	170 Å²	170	136.7 Å²	136.7	89%	0.89	80%	0.799	S	S	*	*			trans	-134.6	154.8	171.1	-82	171.2	0	0	0	112.3
381	P	42.6	Very low	42.1	Very low	116 Å²	116	135.3 Å²	135.3	75%	0.753	78%	0.781	S	S	*	*			trans	-96.2	165.9	-170	37.7	-36.9	0	0	0	116
382	R	29.3	Very low	43.8	Very low	241 Å²	241	137.8 Å²	137.8	91%	0.909	78%	0.778	S	S	*	*			trans	-143.7	157.9	168.8	-84	-167.8	176.2	-171.1	-1.2	111.8
383	P	37.3	Very low	46.3	Very low	129 Å²	129	135.3 Å²	135.3	84%	0.838	76%	0.759	S	S	*	*			trans	-84.4	173.2	-164.9	34.3	-37.8	0	0	0	115.4
384	G	41.4	Very low	47.6	Very low	77 Å²	77	132.5 Å²	132.5	79%	0.794	74%	0.74	S	S	*	*			trans	-77.5	-172.6	-172.6	0	0	0	0	0	116.8
385	R	35.7	Very low	50.1	Low	243 Å²	243	131.8 Å²	131.8	92%	0.917	73%	0.729	S	S	*	*			trans	-138.7	150	-179.2	-77.8	-176.3	169.3	-168.9	-4.4	111.4
386	D	38.5	Very low	52.9	Low	155 Å²	155	127.1 Å²	127.1	83%	0.829	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-70.9	162.6	179.4	-47.9	-84.4	0	0	0	113.4
387	Q	42.9	Very low	55.3	Low	182 Å²	182	125.4 Å²	125.4	85%	0.85	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-95.2	127.5	177.5	-59.3	-176.1	19.4	0	0	110.5
388	E	48.6	Very low	57.7	Low	142 Å²	142	119.5 Å²	119.5	66%	0.664	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-82.7	143.9	166.1	-67.4	171.9	123.6	0	0	109.4	R474	E388-R474 IonicContact OE2-CZ 2.69Å; E388-R474 IonicContact OE2-NH2 2.83Å; E388-R474 PolarHBondContact OE2-NH2 2.8Å
389	P	56.9	Low	59.9	Low	123 Å²	123	115.9 Å²	115.9	80%	0.799	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-68.3	157	176.8	29.7	-35.4	0	0	0	112.2
390	L	60.5	Low	61.6	Low	85 Å²	85	113.1 Å²	113.1	45%	0.445	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-61.8	151.2	175.5	-69.5	170.1	0	0	0	112	L477	L390-L477 HydrophobicContact CD1-CD1 4.25Å; L390-L477 HydrophobicContact CD1-CD2 4.39Å; L390-L477 HydrophobicContact CD1-CG 4.46Å
391	E	68.9	Low	63.7	Low	78 Å²	78	111 Å²	111	36%	0.364	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-65.2	152.2	177	-171.5	163.4	-151.3	0	0	111.2	Q470 R473	E391-Q470 PolarHBondContact O-NE2 2.81Å; E391-Q470 PolarHBondContact O-OE1 2.94Å; E391-R473 IonicContact OE1-CZ 3.96Å; E391-R473 IonicContact OE1-NE 3.54Å; E391-R473 IonicContact OE1-NH2 3.82Å; E391-R473 PolarHBondContact OE1-NH2 3.05Å; E391-R473 IonicContact OE2-CZ 3.02Å; E391-R473 VanDerWaalsContact OE2-CZ 3.25Å; E391-R473 IonicContact OE2-NE 3.18Å; E391-R473 PolarHBondContact OE2-NE 2.85Å; E391-R473 IonicContact OE2-NH2 3.61Å; E391-R473 PolarHBondContact OE2-NH2 3.39Å
392	K	74.9	Confident	65	Low	181 Å²	181	111.7 Å²	111.7	79%	0.787	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-70.2	143.2	-179	-66.4	-177.4	-179.8	-179.7	0	111
393	P	85.5	Confident	66.6	Low	64 Å²	64	105.4 Å²	105.4	42%	0.416	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-63.2	139.5	179.1	25.3	-34.3	0	0	0	111.6	L439 V468 V469	P393-L439 HydrophobicContact CB-CD1 4.32Å; P393-V468 HydrophobicContact CB-CG1 4.25Å; P393-V469 CarbonylContact C-O 3.59Å; P393-V469 VanDerWaalsContact CA-O 3.26Å; P393-V469 WeakPolarHBondContact CA-O 3.37Å
394	V	87.6	Confident	67.9	Low	48 Å²	48	106.5 Å²	106.5	29%	0.291	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99	132.5	-175	-176.2	0	0	0	0	109.6	V396 V468 V469	V394-V396 HydrophobicContact CG1-CG2 3.96Å; V394-V468 WeakPolarHBondContact O-CA 3.47Å; V394-V469 HydrophobicContact CB-CG2 3.99Å; V394-V469 PolarHBondContact N-O 2.94Å; V394-V469 PolarHBondContact O-N 3.06Å
395	N	87.3	Confident	69.5	Low	116 Å²	116	104.5 Å²	104.5	62%	0.62	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.5	173.5	-60.7	-57.2	0	0	0	109.1	V468	N395-V468 WeakPolarHBondContact OD1-CG2 3.44Å
396	V	88.7	Confident	71.6	Confident	5 Å²	5	99.9 Å²	99.9	3%	0.03	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.4	177.5	-176.9	0	0	0	0	110.2	V394 L398 D429 N431 L432 Q466 L467	V394-V396 HydrophobicContact CG1-CG2 3.96Å; V396-L398 HydrophobicContact CG1-CD2 4.06Å; V396-L398 HydrophobicContact CG1-CG 4.38Å; V396-D429 WeakPolarHBondContact CG1-OD2 3.45Å; V396-N431 HydrophobicContact CG1-CB 4.16Å; V396-N431 HydrophobicContact CG2-CB 3.83Å; V396-L432 HydrophobicContact CB-CD2 4Å; V396-L432 HydrophobicContact CB-CG 4.25Å; V396-L432 HydrophobicContact CG1-CD1 4.2Å; V396-L432 HydrophobicContact CG1-CD2 4.31Å; V396-L432 HydrophobicContact CG1-CG 4Å; V396-L432 HydrophobicContact CG2-CD2 3.65Å; V396-L432 HydrophobicContact CG2-CG 4.06Å; V396-Q466 WeakPolarHBondContact O-CA 3.44Å; V396-L467 PolarHBondContact N-O 2.62Å; V396-L467 PolarHBondContact O-N 2.91Å
397	L	87.7	Confident	73.7	Confident	67 Å²	67	93.3 Å²	93.3	35%	0.351	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	100.6	179.5	-173.6	71.1	0	0	0	111.5	L399 R464 Q466	L397-L399 HydrophobicContact CD2-CD2 4.43Å; L397-L399 HydrophobicContact CG-CD2 4.41Å; L397-R464 HydrophobicContact CD1-CG 3.78Å; L397-Q466 HydrophobicContact CD1-CB 3.66Å; L397-Q466 HydrophobicContact CD1-CG 4.12Å
398	L	85.4	Confident	75.6	Confident	4 Å²	4	85.1 Å²	85.1	2%	0.021	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120.2	176.8	-55.8	179.3	0	0	0	110.2	V396 Y407 L409 A426 D429 L432 L465	V396-L398 HydrophobicContact CG1-CD2 4.06Å; V396-L398 HydrophobicContact CG1-CG 4.38Å; L398-Y407 HydrophobicContact CB-CD1 3.77Å; L398-Y407 HydrophobicContact CB-CE1 3.73Å; L398-Y407 HydrophobicContact CD1-CD1 4.01Å; L398-L409 HydrophobicContact CD1-CD1 4.31Å; L398-A426 HydrophobicContact CD1-CB 3.74Å; L398-D429 HydrophobicContact CD2-CB 3.47Å; L398-D429 VanDerWaalsContact CD2-CB 3.47Å; L398-L432 HydrophobicContact CD1-CD1 4.01Å; L398-L465 HydrophobicContact CB-CB 4.38Å; L398-L465 HydrophobicContact CD1-CD2 4.42Å; L398-L465 PolarHBondContact N-O 3.01Å; L398-L465 PolarHBondContact O-N 3.44Å
399	L	81.8	Confident	77.4	Confident	91 Å²	91	79.7 Å²	79.7	48%	0.476	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.2	174.7	-63.5	175.8	0	0	0	109.7	L397 L425 R464	L397-L399 HydrophobicContact CD2-CD2 4.43Å; L397-L399 HydrophobicContact CG-CD2 4.41Å; L399-L425 WeakPolarHBondContact O-CD2 3.28Å; L399-R464 HydrophobicContact CD2-CB 3.9Å; L399-R464 HydrophobicContact CD2-CG 3.74Å
400	K	82.6	Confident	78.7	Confident	58 Å²	58	80.8 Å²	80.8	25%	0.252	41%	0.408	S	S	.	.			trans	-106.6	112.1	-176.2	162	176.8	174.3	154.2	0	108.6	H402 P403 E405 Y407 L425 G463	K400-H402 WeakPolarHBondContact CE-O 3.41Å; K400-H402 VanDerWaalsContact CG-O 3.28Å; K400-H402 WeakPolarHBondContact CG-O 3.44Å; K400-P403 VanDerWaalsContact CE-C 3.5Å; K400-P403 WeakPolarHBondContact CE-O 3.27Å; K400-P403 PolarHBondContact NZ-O 3.46Å; K400-E405 WeakPolarHBondContact CD-O 3.33Å; K400-E405 WeakPolarHBondContact CE-O 3.36Å; K400-E405 HydrophobicContact CG-CB 4.29Å; K400-E405 PolarHBondContact NZ-O 2.83Å; K400-Y407 HydrophobicContact CB-CE1 4.11Å; K400-Y407 HydrophobicContact CD-CE2 4.27Å; K400-L425 HydrophobicContact CB-CD1 3.54Å; K400-L425 HydrophobicContact CG-CD1 4.2Å; K400-G463 PolarHBondContact N-O 3.12Å
401	N	72.6	Confident	80.1	Confident	127 Å²	127	77.9 Å²	77.9	68%	0.679	39%	0.393	S	S	*	.			trans	-88.1	-19.5	-168.7	-66.4	-40.3	0	0	0	112.7	E405	N401-E405 PolarHBondContact N-OE2 2.9Å; N401-E405 VanDerWaalsContact N-OE2 3.13Å
402	H	70.6	Confident	80.7	Confident	129 Å²	129	74.4 Å²	74.4	60%	0.597	38%	0.378	S	S	*	.	S	Bend	trans	-128.5	143.4	176.2	-60.7	-54.1	0	0	0	111.7	K400 N404 E405	K400-H402 WeakPolarHBondContact CE-O 3.41Å; K400-H402 VanDerWaalsContact CG-O 3.28Å; K400-H402 WeakPolarHBondContact CG-O 3.44Å; H402-N404 PolarHBondContact O-N 3.38Å; H402-N404 VanDerWaalsContact O-N 3.12Å; H402-E405 HydrophobicContact CB-CB 4.31Å; H402-E405 WeakPolarHBondContact O-CB 3.33Å; H402-E405 PolarHBondContact O-N 3.37Å
403	P	62.8	Low	80.8	Confident	109 Å²	109	70 Å²	70	71%	0.708	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.3	-174.8	23.9	-34.2	0	0	0	114	K400	K400-P403 VanDerWaalsContact CE-C 3.5Å; K400-P403 WeakPolarHBondContact CE-O 3.27Å; K400-P403 PolarHBondContact NZ-O 3.46Å
404	N	64.7	Low	80.3	Confident	153 Å²	153	73.5 Å²	73.5	82%	0.818	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-0.3	-179.7	-61.9	14.9	0	0	0	113.5	H402	H402-N404 PolarHBondContact O-N 3.38Å; H402-N404 VanDerWaalsContact O-N 3.12Å
405	E	76.1	Confident	80.3	Confident	35 Å²	35	71.8 Å²	71.8	16%	0.164	37%	0.369	C	S	.	.			trans	-83.1	134.6	-178.4	-176.6	171.3	-133.2	0	0	111	K400 N401 H402 L425 R428	K400-E405 WeakPolarHBondContact CD-O 3.33Å; K400-E405 WeakPolarHBondContact CE-O 3.36Å; K400-E405 HydrophobicContact CG-CB 4.29Å; K400-E405 PolarHBondContact NZ-O 2.83Å; N401-E405 PolarHBondContact N-OE2 2.9Å; N401-E405 VanDerWaalsContact N-OE2 3.13Å; H402-E405 HydrophobicContact CB-CB 4.31Å; H402-E405 WeakPolarHBondContact O-CB 3.33Å; H402-E405 PolarHBondContact O-N 3.37Å; E405-L425 HydrophobicContact CG-CD1 3.98Å; E405-L425 HydrophobicContact CG-CD2 4.13Å; E405-L425 HydrophobicContact CG-CG 3.88Å; E405-R428 IonicContact OE1-NH1 2.9Å; E405-R428 PolarHBondContact OE1-NH1 2.97Å
406	E	79.8	Confident	80.3	Confident	145 Å²	145	67.2 Å²	67.2	68%	0.678	34%	0.344	S	S	*	.			trans	-100.6	149.1	-175	-69.1	-174.3	-174.2	0	0	112.8	G408 G424 L425	E406-G408 VanDerWaalsContact C-N 3.27Å; E406-G408 PolarHBondContact O-N 3.4Å; E406-G424 WeakPolarHBondContact O-CA 3.26Å; E406-L425 PolarHBondContact O-N 2.87Å
407	Y	82.1	Confident	80.4	Confident	18 Å²	18	67 Å²	67	7%	0.071	34%	0.343	C	S	.	.			trans	-68.8	-25.2	175.9	-71.6	-66.9	0	0	0	113.1	L398 K400 L409 L425 A426 I458 S461 G463 R464 L465	L398-Y407 HydrophobicContact CB-CD1 3.77Å; L398-Y407 HydrophobicContact CB-CE1 3.73Å; L398-Y407 HydrophobicContact CD1-CD1 4.01Å; K400-Y407 HydrophobicContact CB-CE1 4.11Å; K400-Y407 HydrophobicContact CD-CE2 4.27Å; Y407-L409 VanDerWaalsContact C-N 3.34Å; Y407-L409 PolarHBondContact O-N 2.79Å; Y407-L425 HydrophobicContact CD1-CB 4.26Å; Y407-L425 HydrophobicContact CD1-CD1 3.78Å; Y407-L425 HydrophobicContact CE1-CD1 3.82Å; Y407-A426 WeakPolarHBondContact O-CB 2.89Å; Y407-A426 PolarHBondContact O-N 3.08Å; Y407-I458 HydrophobicContact CD2-CG2 4.19Å; Y407-S461 WeakPolarHBondContact CE2-OG 3.39Å; Y407-G463 WeakPolarHBondContact OH-CA 3.44Å; Y407-G463 PolarHBondContact OH-O 2.65Å; Y407-R464 PolarHBondContact OH-N 3.02Å; Y407-L465 HydrophobicContact CD1-CB 4.14Å; Y407-L465 HydrophobicContact CD1-CD2 3.79Å; Y407-L465 HydrophobicContact CD2-CD2 4Å; Y407-L465 HydrophobicContact CE1-CB 3.63Å; Y407-L465 HydrophobicContact CE1-CD2 4.15Å; Y407-L465 HydrophobicContact CE2-CB 4.2Å; Y407-L465 HydrophobicContact CE2-CD2 4.34Å; Y407-L465 HydrophobicContact CG-CD2 3.72Å
408	G	82.1	Confident	80.2	Confident	9 Å²	9	68 Å²	68	9%	0.093	35%	0.345	C	S	.	.			trans	74.7	14.7	172.1	0	0	0	0	0	116.1	E406 M420 T421	E406-G408 VanDerWaalsContact C-N 3.27Å; E406-G408 PolarHBondContact O-N 3.4Å; G408-M420 WeakPolarHBondContact O-CA 3.41Å; G408-T421 WeakPolarHBondContact CA-OG1 3.37Å; G408-T421 PolarHBondContact O-N 3.47Å
409	L	87.3	Confident	80.1	Confident	29 Å²	29	69.8 Å²	69.8	15%	0.152	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.9	-178.4	-68.5	170.4	0	0	0	111.6	L398 Y407 I417 M420 A426 L432 L465 L467	L398-L409 HydrophobicContact CD1-CD1 4.31Å; Y407-L409 VanDerWaalsContact C-N 3.34Å; Y407-L409 PolarHBondContact O-N 2.79Å; L409-I417 HydrophobicContact CD2-CD1 3.79Å; L409-I417 HydrophobicContact CD2-CG1 4.13Å; L409-I417 HydrophobicContact CD2-CG2 3.95Å; L409-M420 HydrophobicContact CD2-CG 4.27Å; L409-A426 HydrophobicContact CD1-CB 4.34Å; L409-A426 HydrophobicContact CD2-CB 3.43Å; L409-A426 VanDerWaalsContact CD2-CB 3.43Å; L409-A426 HydrophobicContact CG-CB 3.67Å; L409-L432 HydrophobicContact CD2-CD1 4.24Å; L409-L465 HydrophobicContact CD1-CD2 4.33Å; L409-L467 HydrophobicContact CD1-CD1 3.68Å
410	R	84.8	Confident	80.2	Confident	145 Å²	145	67.1 Å²	67.1	55%	0.547	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.3	163.2	-66.6	175.7	171	178.6	0.6	108.9	K418 E419	R410-K418 PolarHBondContact O-N 2.8Å; R410-E419 HydrophobicContact CB-CB 4.02Å; R410-E419 WeakPolarHBondContact CD-OE2 3.46Å; R410-E419 HydrophobicContact CG-CB 4.43Å; R410-E419 IonicContact CZ-OE2 3.77Å; R410-E419 PolarHBondContact N-O 3.19Å; R410-E419 IonicContact NE-OE2 2.67Å; R410-E419 IonicContact NH1-OE2 3.63Å; R410-E419 PolarHBondContact NH1-OE2 3.41Å; R410-E419 PolarHBondContact O-N 2.9Å
411	L	89.1	Confident	80.2	Confident	25 Å²	25	66.4 Å²	66.4	13%	0.131	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	145.4	-179.6	-55.2	-173.2	0	0	0	111.7	L415 F416 I417 I438 L451 A454 I458	L411-L415 HydrophobicContact CD1-CD2 4.05Å; L411-F416 CarbonylContact C-O 3.6Å; L411-F416 WeakPolarHBondContact CA-O 3.35Å; L411-I417 HydrophobicContact CD2-CG1 4.35Å; L411-I438 HydrophobicContact CD1-CD1 4.31Å; L411-I438 HydrophobicContact CD2-CD1 3.52Å; L411-L451 HydrophobicContact CB-CG 4.43Å; L411-A454 HydrophobicContact CD1-CB 4.05Å; L411-I458 HydrophobicContact CD1-CD1 3.97Å
412	G	81.4	Confident	80.2	Confident	5 Å²	5	65.9 Å²	65.9	5%	0.052	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-89.8	171.5	170	0	0	0	0	0	112.9	Q414 L415 F416 L451	G412-Q414 PolarHBondContact O-N 3.03Å; G412-L415 PolarHBondContact O-N 3.06Å; G412-F416 PolarHBondContact N-O 2.91Å; G412-L451 WeakPolarHBondContact O-CD1 3.36Å
413	S	76.1	Confident	80.4	Confident	89 Å²	89	63.5 Å²	63.5	62%	0.622	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	134.6	163.3	49.2	0	0	0	0	109.7	F416	S413-F416 WeakPolarHBondContact O-CD1 3.39Å; S413-F416 WeakPolarHBondContact O-CE1 3.45Å
414	Q	76.3	Confident	81.2	Confident	137 Å²	137	58.5 Å²	58.5	64%	0.64	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	18.7	-167.3	-47.5	173.7	-63.8	0	0	115.1	G412 F416 I478	G412-Q414 PolarHBondContact O-N 3.03Å; Q414-F416 PolarHBondContact O-N 3.49Å; Q414-F416 VanDerWaalsContact O-N 3.1Å; Q414-I478 HydrophobicContact CB-CD1 3.88Å
415	L	86.6	Confident	82	Confident	11 Å²	11	52 Å²	52	6%	0.058	28%	0.276	C	S	.	.	S	Bend	trans	59.4	24.8	166.6	-57.1	178.7	0	0	0	115.7	L411 G412 I438 T446 L449 L451 A454	L411-L415 HydrophobicContact CD1-CD2 4.05Å; G412-L415 PolarHBondContact O-N 3.06Å; L415-I438 WeakPolarHBondContact O-CB 3Å; L415-I438 WeakPolarHBondContact O-CG1 3.2Å; L415-I438 PolarHBondContact O-N 3.17Å; L415-I438 VanDerWaalsContact O-N 3.12Å; L415-T446 HydrophobicContact CD1-CG2 4.23Å; L415-L449 HydrophobicContact CD1-CB 4.08Å; L415-L451 HydrophobicContact CD2-CB 4.33Å; L415-A454 HydrophobicContact CD1-CB 4.16Å; L415-A454 HydrophobicContact CD2-CB 3.51Å; L415-A454 HydrophobicContact CG-CB 4.48Å
416	F	88.6	Confident	82.4	Confident	20 Å²	20	50.3 Å²	50.3	9%	0.088	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-78.4	155.6	164.9	73.2	-91.4	0	0	0	111.3	L411 G412 S413 Q414 K418 D436 I437 I478 I480	L411-F416 CarbonylContact C-O 3.6Å; L411-F416 WeakPolarHBondContact CA-O 3.35Å; G412-F416 PolarHBondContact N-O 2.91Å; S413-F416 WeakPolarHBondContact O-CD1 3.39Å; S413-F416 WeakPolarHBondContact O-CE1 3.45Å; Q414-F416 PolarHBondContact O-N 3.49Å; Q414-F416 VanDerWaalsContact O-N 3.1Å; F416-K418 HydrophobicContact CE2-CB 3.96Å; F416-K418 HydrophobicContact CE2-CG 4.34Å; F416-K418 PolarHBondContact O-N 3.2Å; F416-D436 CarbonylContact C-O 3.37Å; F416-D436 WeakPolarHBondContact CA-O 3.19Å; F416-I437 HydrophobicContact CB-CG1 4.25Å; F416-I478 HydrophobicContact CB-CD1 4.35Å; F416-I478 HydrophobicContact CD1-CD1 4Å; F416-I478 HydrophobicContact CD1-CG2 4.48Å; F416-I478 HydrophobicContact CE1-CG2 4.48Å; F416-I480 HydrophobicContact CD2-CD1 3.56Å; F416-I480 HydrophobicContact CD2-CG1 4.46Å; F416-I480 HydrophobicContact CE2-CD1 3.56Å; F416-I480 HydrophobicContact CE2-CG1 4.06Å; F416-I480 HydrophobicContact CE2-CG2 4.5Å; F416-I480 HydrophobicContact CG-CD1 4.15Å; F416-I480 HydrophobicContact CZ-CD1 4.12Å; F416-I480 HydrophobicContact CZ-CG1 4.16Å
417	I	89.4	Confident	82.3	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	108.9	173.9	-60.6	178	0	0	0	108.2	L409 L411 M420 L432 E434 G435 D436 I438	L409-I417 HydrophobicContact CD2-CD1 3.79Å; L409-I417 HydrophobicContact CD2-CG1 4.13Å; L409-I417 HydrophobicContact CD2-CG2 3.95Å; L411-I417 HydrophobicContact CD2-CG1 4.35Å; I417-M420 HydrophobicContact CG2-CG 3.41Å; I417-M420 VanDerWaalsContact CG2-CG 3.41Å; I417-M420 HydrophobicContact CG2-SD 3.79Å; I417-L432 HydrophobicContact CD1-CB 3.93Å; I417-L432 HydrophobicContact CD1-CD1 4.11Å; I417-L432 HydrophobicContact CD1-CD2 3.9Å; I417-L432 HydrophobicContact CD1-CG 4.18Å; I417-E434 WeakPolarHBondContact O-CA 3.44Å; I417-G435 PolarHBondContact O-N 2.71Å; I417-D436 HydrophobicContact CD1-CB 4.21Å; I417-D436 PolarHBondContact N-O 3.05Å; I417-I438 HydrophobicContact CG1-CD1 4.16Å; I417-I438 HydrophobicContact CG1-CG1 4.22Å
418	K	83.8	Confident	82.2	Confident	90 Å²	90	51.7 Å²	51.7	39%	0.391	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-46.1	-177.4	-178.9	179.7	-175.2	-81.8	0	112.2	R410 F416	R410-K418 PolarHBondContact O-N 2.8Å; F416-K418 HydrophobicContact CE2-CB 3.96Å; F416-K418 HydrophobicContact CE2-CG 4.34Å; F416-K418 PolarHBondContact O-N 3.2Å
419	E	82.8	Confident	82	Confident	41 Å²	41	54.2 Å²	54.2	19%	0.192	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.5	-177.7	-76.4	153.7	-139.2	0	0	109.1	R410 E434 M483	R410-E419 HydrophobicContact CB-CB 4.02Å; R410-E419 WeakPolarHBondContact CD-OE2 3.46Å; R410-E419 HydrophobicContact CG-CB 4.43Å; R410-E419 IonicContact CZ-OE2 3.77Å; R410-E419 PolarHBondContact N-O 3.19Å; R410-E419 IonicContact NE-OE2 2.67Å; R410-E419 IonicContact NH1-OE2 3.63Å; R410-E419 PolarHBondContact NH1-OE2 3.41Å; R410-E419 PolarHBondContact O-N 2.9Å; E419-E434 VanDerWaalsContact CA-OE1 3.25Å; E419-E434 WeakPolarHBondContact CA-OE1 3.33Å; E419-M483 HydrophobicContact CG-CE 4.22Å
420	M	85.1	Confident	81.4	Confident	35 Å²	35	55.1 Å²	55.1	17%	0.172	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.2	177.4	-67	174.7	54.9	0	0	110.3	G408 L409 I417 S422 A426 L432 E434	G408-M420 WeakPolarHBondContact O-CA 3.41Å; L409-M420 HydrophobicContact CD2-CG 4.27Å; I417-M420 HydrophobicContact CG2-CG 3.41Å; I417-M420 VanDerWaalsContact CG2-CG 3.41Å; I417-M420 HydrophobicContact CG2-SD 3.79Å; M420-S422 PolarHBondContact O-N 3.18Å; M420-A426 VanDerWaalsContact CE-C 3.43Å; M420-A426 HydrophobicContact CE-CB 3.99Å; M420-A426 WeakPolarHBondContact CE-O 3.46Å; M420-L432 HydrophobicContact CE-CB 3.92Å; M420-L432 WeakPolarHBondContact CE-O 3.47Å; M420-L432 HydrophobicContact SD-CB 4.23Å; M420-E434 HydrophobicContact CB-CG 4.35Å; M420-E434 HydrophobicContact CG-CG 3.96Å; M420-E434 PolarHBondContact N-OE1 2.79Å; M420-E434 HydrophobicContact SD-CG 4.13Å
421	T	83.1	Confident	81.2	Confident	42 Å²	42	52.4 Å²	52.4	26%	0.258	30%	0.302	S	S	.	.			trans	-72.1	126.5	176.9	65.6	0	0	0	0	110.4	G408 S423 G424	G408-T421 WeakPolarHBondContact CA-OG1 3.37Å; G408-T421 PolarHBondContact O-N 3.47Å; T421-S423 PolarHBondContact O-N 3.31Å; T421-S423 VanDerWaalsContact O-N 3.11Å; T421-G424 PolarHBondContact O-N 3.38Å; T421-G424 PolarHBondContact OG1-N 3.42Å
422	S	70.8	Confident	81.1	Confident	117 Å²	117	51.5 Å²	51.5	82%	0.818	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.6	178.1	55.1	0	0	0	0	113.7	M420	M420-S422 PolarHBondContact O-N 3.18Å
423	S	75.1	Confident	81.2	Confident	79 Å²	79	55.8 Å²	55.8	55%	0.552	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.7	173.7	55.1	0	0	0	0	114.5	T421 R428	T421-S423 PolarHBondContact O-N 3.31Å; T421-S423 VanDerWaalsContact O-N 3.11Å; S423-R428 VanDerWaalsContact O-CZ 3.27Å; S423-R428 PolarHBondContact O-NE 2.98Å; S423-R428 PolarHBondContact O-NH2 2.89Å; S423-R428 VanDerWaalsContact O-NH2 3.09Å
424	G	81.1	Confident	81.6	Confident	3 Å²	3	56.9 Å²	56.9	3%	0.031	31%	0.311	C	S	.	.	S	Bend	trans	-91.9	164.3	-172.3	0	0	0	0	0	114.8	E406 T421 A426 G427 R428	E406-G424 WeakPolarHBondContact O-CA 3.26Å; T421-G424 PolarHBondContact O-N 3.38Å; T421-G424 PolarHBondContact OG1-N 3.42Å; G424-A426 VanDerWaalsContact C-N 3.35Å; G424-A426 PolarHBondContact O-N 3.3Å; G424-G427 PolarHBondContact O-N 3.18Å; G424-R428 WeakPolarHBondContact O-CG 3.43Å; G424-R428 PolarHBondContact O-N 2.92Å
425	L	81.7	Confident	81.7	Confident	17 Å²	17	51.4 Å²	51.4	9%	0.089	29%	0.292	C	S	.	.	H	α-helix	trans	-59	-40.2	-174.8	-71.3	161.8	0	0	0	113.7	L399 K400 E405 E406 Y407 G427 R428 D429	L399-L425 WeakPolarHBondContact O-CD2 3.28Å; K400-L425 HydrophobicContact CB-CD1 3.54Å; K400-L425 HydrophobicContact CG-CD1 4.2Å; E405-L425 HydrophobicContact CG-CD1 3.98Å; E405-L425 HydrophobicContact CG-CD2 4.13Å; E405-L425 HydrophobicContact CG-CG 3.88Å; E406-L425 PolarHBondContact O-N 2.87Å; Y407-L425 HydrophobicContact CD1-CB 4.26Å; Y407-L425 HydrophobicContact CD1-CD1 3.78Å; Y407-L425 HydrophobicContact CE1-CD1 3.82Å; L425-G427 VanDerWaalsContact C-N 3.35Å; L425-G427 PolarHBondContact O-N 3.46Å; L425-R428 PolarHBondContact O-N 3.29Å; L425-D429 WeakPolarHBondContact O-CB 3.32Å; L425-D429 PolarHBondContact O-N 2.9Å
426	A	82.9	Confident	81.7	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-40.5	179.3	0	0	0	0	0	112.4	L398 Y407 L409 M420 G424 R428 G430 L432	L398-A426 HydrophobicContact CD1-CB 3.74Å; Y407-A426 WeakPolarHBondContact O-CB 2.89Å; Y407-A426 PolarHBondContact O-N 3.08Å; L409-A426 HydrophobicContact CD1-CB 4.34Å; L409-A426 HydrophobicContact CD2-CB 3.43Å; L409-A426 VanDerWaalsContact CD2-CB 3.43Å; L409-A426 HydrophobicContact CG-CB 3.67Å; M420-A426 VanDerWaalsContact CE-C 3.43Å; M420-A426 HydrophobicContact CE-CB 3.99Å; M420-A426 WeakPolarHBondContact CE-O 3.46Å; G424-A426 VanDerWaalsContact C-N 3.35Å; G424-A426 PolarHBondContact O-N 3.3Å; A426-R428 VanDerWaalsContact C-N 3.31Å; A426-R428 PolarHBondContact O-N 2.84Å; A426-G430 PolarHBondContact O-N 3.01Å; A426-L432 HydrophobicContact CB-CD1 4.04Å
427	G	79.2	Confident	81.8	Confident	34 Å²	34	51 Å²	51	35%	0.351	29%	0.29	S	S	.	.	H	α-helix	trans	-67.6	-29.4	176	0	0	0	0	0	113.4	G424 L425	G424-G427 PolarHBondContact O-N 3.18Å; L425-G427 VanDerWaalsContact C-N 3.35Å; L425-G427 PolarHBondContact O-N 3.46Å
428	R	79	Confident	81.8	Confident	158 Å²	158	51 Å²	51	60%	0.596	29%	0.29	S	S	*	.	H	α-helix	trans	-81.2	-31.5	176.9	-67.2	174.7	-178.8	172.1	1.9	113.9	E405 S423 G424 L425 A426	E405-R428 IonicContact OE1-NH1 2.9Å; E405-R428 PolarHBondContact OE1-NH1 2.97Å; S423-R428 VanDerWaalsContact O-CZ 3.27Å; S423-R428 PolarHBondContact O-NE 2.98Å; S423-R428 PolarHBondContact O-NH2 2.89Å; S423-R428 VanDerWaalsContact O-NH2 3.09Å; G424-R428 WeakPolarHBondContact O-CG 3.43Å; G424-R428 PolarHBondContact O-N 2.92Å; L425-R428 PolarHBondContact O-N 3.29Å; A426-R428 VanDerWaalsContact C-N 3.31Å; A426-R428 PolarHBondContact O-N 2.84Å
429	D	78.1	Confident	82.1	Confident	62 Å²	62	49.3 Å²	49.3	33%	0.332	29%	0.285	S	S	.	.	H	α-helix	trans	-75.4	-28.9	-178.8	-175.3	71	0	0	0	112.7	V396 L398 L425 N431	V396-D429 WeakPolarHBondContact CG1-OD2 3.45Å; L398-D429 HydrophobicContact CD2-CB 3.47Å; L398-D429 VanDerWaalsContact CD2-CB 3.47Å; L425-D429 WeakPolarHBondContact O-CB 3.32Å; L425-D429 PolarHBondContact O-N 2.9Å; D429-N431 VanDerWaalsContact CG-ND2 3.29Å; D429-N431 PolarHBondContact O-N 2.81Å; D429-N431 PolarHBondContact O-ND2 2.87Å; D429-N431 PolarHBondContact OD1-ND2 3.48Å; D429-N431 WeakPolarHBondContact OD2-CB 3.09Å; D429-N431 PolarHBondContact OD2-ND2 2.78Å
430	G	73.9	Confident	82.5	Confident	48 Å²	48	51.5 Å²	51.5	50%	0.495	29%	0.294	S	S	.	.			trans	69.5	-8.9	169.6	0	0	0	0	0	116.6	A426	A426-G430 PolarHBondContact O-N 3.01Å
431	N	81.7	Confident	82.8	Confident	88 Å²	88	49.9 Å²	49.9	47%	0.471	29%	0.286	S	S	.	.	S	Bend	trans	-73.2	-29.2	177	-64.3	-62.4	0	0	0	112.6	V396 D429 R471	V396-N431 HydrophobicContact CG1-CB 4.16Å; V396-N431 HydrophobicContact CG2-CB 3.83Å; D429-N431 VanDerWaalsContact CG-ND2 3.29Å; D429-N431 PolarHBondContact O-N 2.81Å; D429-N431 PolarHBondContact O-ND2 2.87Å; D429-N431 PolarHBondContact OD1-ND2 3.48Å; D429-N431 WeakPolarHBondContact OD2-CB 3.09Å; D429-N431 PolarHBondContact OD2-ND2 2.78Å; N431-R471 PolarHBondContact O-NH2 2.77Å
432	L	86.5	Confident	83.1	Confident	5 Å²	5	51 Å²	51	3%	0.026	29%	0.29	C	S	.	.			trans	-88.5	147.8	175.3	-62.7	170	0	0	0	110.9	V396 L398 L409 I417 M420 A426 L467 V469	V396-L432 HydrophobicContact CB-CD2 4Å; V396-L432 HydrophobicContact CB-CG 4.25Å; V396-L432 HydrophobicContact CG1-CD1 4.2Å; V396-L432 HydrophobicContact CG1-CD2 4.31Å; V396-L432 HydrophobicContact CG1-CG 4Å; V396-L432 HydrophobicContact CG2-CD2 3.65Å; V396-L432 HydrophobicContact CG2-CG 4.06Å; L398-L432 HydrophobicContact CD1-CD1 4.01Å; L409-L432 HydrophobicContact CD2-CD1 4.24Å; I417-L432 HydrophobicContact CD1-CB 3.93Å; I417-L432 HydrophobicContact CD1-CD1 4.11Å; I417-L432 HydrophobicContact CD1-CD2 3.9Å; I417-L432 HydrophobicContact CD1-CG 4.18Å; M420-L432 HydrophobicContact CE-CB 3.92Å; M420-L432 WeakPolarHBondContact CE-O 3.47Å; M420-L432 HydrophobicContact SD-CB 4.23Å; A426-L432 HydrophobicContact CB-CD1 4.04Å; L432-L467 HydrophobicContact CD1-CD1 3.93Å; L432-V469 HydrophobicContact CD2-CG1 3.76Å; L432-V469 HydrophobicContact CD2-CG2 3.97Å
433	Q	82.8	Confident	83.7	Confident	96 Å²	96	48.2 Å²	48.2	45%	0.449	28%	0.28	S	S	.	.			trans	-134.2	151.7	178	-66.9	178.9	-6.8	0	0	110.6	G435 D436 R471	Q433-G435 PolarHBondContact O-N 2.73Å; Q433-D436 PolarHBondContact N-OD2 3.26Å; Q433-D436 VanDerWaalsContact O-CB 3.29Å; Q433-D436 WeakPolarHBondContact O-CB 3.46Å; Q433-D436 PolarHBondContact O-N 2.96Å; Q433-R471 VanDerWaalsContact CD-CZ 3.45Å; Q433-R471 VanDerWaalsContact OE1-CZ 3.26Å
434	E	84.3	Confident	84.2	Confident	111 Å²	111	47.5 Å²	47.5	52%	0.519	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	130	172.2	-64.5	177.6	166.4	0	0	109.4	I417 E419 M420	I417-E434 WeakPolarHBondContact O-CA 3.44Å; E419-E434 VanDerWaalsContact CA-OE1 3.25Å; E419-E434 WeakPolarHBondContact CA-OE1 3.33Å; M420-E434 HydrophobicContact CB-CG 4.35Å; M420-E434 HydrophobicContact CG-CG 3.96Å; M420-E434 PolarHBondContact N-OE1 2.79Å; M420-E434 HydrophobicContact SD-CG 4.13Å
435	G	78.3	Confident	84.6	Confident	23 Å²	23	50.2 Å²	50.2	24%	0.237	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-8.5	-169.2	0	0	0	0	0	115.9	I417 Q433 I437	I417-G435 PolarHBondContact O-N 2.71Å; Q433-G435 PolarHBondContact O-N 2.73Å; G435-I437 PolarHBondContact O-N 3.32Å
436	D	88.6	Confident	84.8	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.011	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-66.2	128.1	173	-79.6	-23.4	0	0	0	111.6	F416 I417 Q433 V469 R471	F416-D436 CarbonylContact C-O 3.37Å; F416-D436 WeakPolarHBondContact CA-O 3.19Å; I417-D436 HydrophobicContact CD1-CB 4.21Å; I417-D436 PolarHBondContact N-O 3.05Å; Q433-D436 PolarHBondContact N-OD2 3.26Å; Q433-D436 VanDerWaalsContact O-CB 3.29Å; Q433-D436 WeakPolarHBondContact O-CB 3.46Å; Q433-D436 PolarHBondContact O-N 2.96Å; D436-V469 HydrophobicContact CB-CB 4.14Å; D436-V469 HydrophobicContact CB-CG2 4.23Å; D436-R471 WeakPolarHBondContact OD1-CB 3.36Å; D436-R471 WeakPolarHBondContact OD1-CG 3.33Å; D436-R471 IonicContact OD1-CZ 3.92Å; D436-R471 IonicContact OD1-NE 3.89Å; D436-R471 PolarHBondContact OD1-NE 3.21Å; D436-R471 IonicContact OD1-NH2 3.66Å; D436-R471 PolarHBondContact OD1-NH2 3.35Å; D436-R471 IonicContact OD2-CZ 3.09Å; D436-R471 IonicContact OD2-NE 2.71Å; D436-R471 IonicContact OD2-NH2 2.79Å; D436-R471 PolarHBondContact OD2-NH2 3.42Å
437	I	89	Confident	84.6	Confident	20 Å²	20	57.3 Å²	57.3	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.9	-179	-51.8	176.4	0	0	0	109.5	F416 G435 L439 V469 Q470 L477 I478	F416-I437 HydrophobicContact CB-CG1 4.25Å; G435-I437 PolarHBondContact O-N 3.32Å; I437-L439 PolarHBondContact O-N 2.84Å; I437-V469 CarbonylContact O-C 3.51Å; I437-V469 VanDerWaalsContact O-CA 3.22Å; I437-V469 WeakPolarHBondContact O-CA 3.39Å; I437-Q470 PolarHBondContact N-O 3.1Å; I437-Q470 PolarHBondContact O-N 3.27Å; I437-L477 HydrophobicContact CD1-CB 3.8Å; I437-L477 HydrophobicContact CD1-CD1 3.9Å; I437-I478 HydrophobicContact CD1-CD1 3.66Å; I437-I478 HydrophobicContact CD1-CG1 3.82Å; I437-I478 HydrophobicContact CG1-CD1 3.89Å
438	I	90.9	Very high	84.4	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	116.2	178.9	-52.2	177.5	0	0	0	109.7	L411 L415 I417 K440 I441 T446 L467 V469	L411-I438 HydrophobicContact CD1-CD1 4.31Å; L411-I438 HydrophobicContact CD2-CD1 3.52Å; L415-I438 WeakPolarHBondContact O-CB 3Å; L415-I438 WeakPolarHBondContact O-CG1 3.2Å; L415-I438 PolarHBondContact O-N 3.17Å; L415-I438 VanDerWaalsContact O-N 3.12Å; I417-I438 HydrophobicContact CG1-CD1 4.16Å; I417-I438 HydrophobicContact CG1-CG1 4.22Å; I438-K440 WeakPolarHBondContact CG2-O 2.97Å; I438-I441 HydrophobicContact CG2-CD1 4.39Å; I438-I441 HydrophobicContact CG2-CG1 3.7Å; I438-T446 HydrophobicContact CG2-CG2 4.03Å; I438-T446 WeakPolarHBondContact O-CB 3.38Å; I438-T446 PolarHBondContact O-OG1 2.85Å; I438-L467 HydrophobicContact CD1-CD1 4.26Å; I438-L467 HydrophobicContact CD1-CD2 4.38Å; I438-L467 HydrophobicContact CG2-CD2 4.09Å; I438-V469 HydrophobicContact CB-CG1 4.5Å; I438-V469 HydrophobicContact CG1-CG1 4.05Å
439	L	89.4	Confident	84.7	Confident	54 Å²	54	58.4 Å²	58.4	28%	0.283	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-31.8	175.7	-61.5	-173.9	0	0	0	113.5	P393 I437 T446 V468 Q470	P393-L439 HydrophobicContact CB-CD1 4.32Å; I437-L439 PolarHBondContact O-N 2.84Å; L439-T446 VanDerWaalsContact CA-OG1 3.24Å; L439-T446 WeakPolarHBondContact CA-OG1 3.33Å; L439-T446 PolarHBondContact O-N 2.62Å; L439-T446 PolarHBondContact O-OG1 2.94Å; L439-V468 PolarHBondContact N-O 3.25Å; L439-Q470 HydrophobicContact CD1-CB 3.9Å; L439-Q470 HydrophobicContact CD2-CB 4.25Å; L439-Q470 HydrophobicContact CG-CB 3.97Å
440	K	91.6	Very high	85.1	Confident	87 Å²	87	58.1 Å²	58.1	38%	0.378	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	143.7	177	-49.3	-169.2	-178.8	-159.9	0	112.4	I438 T444 V445 L467 V468	I438-K440 WeakPolarHBondContact CG2-O 2.97Å; K440-T444 CarbonylContact C-O 3.55Å; K440-T444 WeakPolarHBondContact CA-O 3.4Å; K440-T444 WeakPolarHBondContact CB-O 3.46Å; K440-V445 HydrophobicContact CD-CG2 4.23Å; K440-V445 HydrophobicContact CG-CG2 4.4Å; K440-L467 WeakPolarHBondContact O-CA 3.37Å; K440-V468 HydrophobicContact CB-CB 3.89Å; K440-V468 HydrophobicContact CB-CG2 3.82Å; K440-V468 HydrophobicContact CD-CG2 4.43Å; K440-V468 HydrophobicContact CG-CB 4.18Å; K440-V468 HydrophobicContact CG-CG2 4.27Å; K440-V468 PolarHBondContact N-O 3.48Å; K440-V468 PolarHBondContact O-N 2.85Å
441	I	91.8	Very high	85.6	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118	174	-57.6	171.1	0	0	0	108.5	I438 G443 T444 T446 A454 L457 I458 L465 L467	I438-I441 HydrophobicContact CG2-CD1 4.39Å; I438-I441 HydrophobicContact CG2-CG1 3.7Å; I441-G443 PolarHBondContact O-N 3.32Å; I441-G443 VanDerWaalsContact O-N 3.1Å; I441-T444 PolarHBondContact N-O 2.81Å; I441-T444 WeakPolarHBondContact O-CB 3.32Å; I441-T444 PolarHBondContact O-N 3.43Å; I441-T444 PolarHBondContact O-OG1 2.86Å; I441-T446 HydrophobicContact CD1-CG2 3.99Å; I441-T446 HydrophobicContact CG1-CG2 3.83Å; I441-A454 HydrophobicContact CD1-CB 3.72Å; I441-L457 HydrophobicContact CB-CD1 4.47Å; I441-L457 HydrophobicContact CG2-CB 3.82Å; I441-I458 HydrophobicContact CG2-CG1 4.35Å; I441-L465 HydrophobicContact CG2-CD1 3.92Å; I441-L467 HydrophobicContact CB-CD2 4.3Å; I441-L467 HydrophobicContact CG1-CD2 3.86Å; I441-L467 HydrophobicContact CG2-CD2 4.16Å
442	N	88.1	Confident	85.7	Confident	66 Å²	66	57.7 Å²	57.7	35%	0.353	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	32.9	-179.3	-65.8	-39.3	0	0	0	114.2	S461 L465 Q466	N442-S461 WeakPolarHBondContact ND2-CB 3.44Å; N442-L465 WeakPolarHBondContact OD1-CA 3.28Å; N442-Q466 PolarHBondContact N-O 3.3Å; N442-Q466 PolarHBondContact OD1-N 2.86Å
443	G	82.9	Confident	85.8	Confident	59 Å²	59	60.6 Å²	60.6	61%	0.608	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-23.2	-177.2	0	0	0	0	0	114.7	I441	I441-G443 PolarHBondContact O-N 3.32Å; I441-G443 VanDerWaalsContact O-N 3.1Å
444	T	87.4	Confident	86	Confident	64 Å²	64	56 Å²	56	39%	0.393	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.7	176.3	-47.4	0	0	0	0	110.7	K440 I441 L449 L457	K440-T444 CarbonylContact C-O 3.55Å; K440-T444 WeakPolarHBondContact CA-O 3.4Å; K440-T444 WeakPolarHBondContact CB-O 3.46Å; I441-T444 PolarHBondContact N-O 2.81Å; I441-T444 WeakPolarHBondContact O-CB 3.32Å; I441-T444 PolarHBondContact O-N 3.43Å; I441-T444 PolarHBondContact O-OG1 2.86Å; T444-L449 HydrophobicContact CG2-CD1 4.27Å; T444-L457 HydrophobicContact CG2-CD1 4.27Å
445	V	88.8	Confident	85.9	Confident	60 Å²	60	52.2 Å²	52.2	36%	0.364	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	141	175.6	-174.3	0	0	0	0	110.4	K440 E447	K440-V445 HydrophobicContact CD-CG2 4.23Å; K440-V445 HydrophobicContact CG-CG2 4.4Å; V445-E447 HydrophobicContact CG1-CB 4.26Å; V445-E447 HydrophobicContact CG1-CG 3.9Å
446	T	86.4	Confident	86.3	Confident	10 Å²	10	55.6 Å²	55.6	6%	0.061	32%	0.322	C	S	.	.			trans	-92.8	-13.4	-172.4	52.9	0	0	0	0	115.6	L415 I438 L439 I441 N448 L449	L415-T446 HydrophobicContact CD1-CG2 4.23Å; I438-T446 HydrophobicContact CG2-CG2 4.03Å; I438-T446 WeakPolarHBondContact O-CB 3.38Å; I438-T446 PolarHBondContact O-OG1 2.85Å; L439-T446 VanDerWaalsContact CA-OG1 3.24Å; L439-T446 WeakPolarHBondContact CA-OG1 3.33Å; L439-T446 PolarHBondContact O-N 2.62Å; L439-T446 PolarHBondContact O-OG1 2.94Å; I441-T446 HydrophobicContact CD1-CG2 3.99Å; I441-T446 HydrophobicContact CG1-CG2 3.83Å; T446-N448 PolarHBondContact O-N 2.7Å; T446-L449 HydrophobicContact CG2-CD1 4.36Å; T446-L449 PolarHBondContact O-N 3.12Å
447	E	78.4	Confident	86.2	Confident	156 Å²	156	57.7 Å²	57.7	73%	0.729	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-32.8	-169.2	-68.5	164	-174.6	0	0	114.2	V445	V445-E447 HydrophobicContact CG1-CB 4.26Å; V445-E447 HydrophobicContact CG1-CG 3.9Å
448	N	75.3	Confident	86.1	Confident	164 Å²	164	57.7 Å²	57.7	88%	0.877	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	15.6	178.7	-66.7	-42.8	0	0	0	114	T446	T446-N448 PolarHBondContact O-N 2.7Å
449	L	84.6	Confident	85.7	Confident	50 Å²	50	65.3 Å²	65.3	26%	0.262	37%	0.369	S	S	.	.			trans	-93.2	137.3	-178	-64.6	-175.2	0	0	0	112.7	L415 T444 T446 L457	L415-L449 HydrophobicContact CD1-CB 4.08Å; T444-L449 HydrophobicContact CG2-CD1 4.27Å; T446-L449 HydrophobicContact CG2-CD1 4.36Å; T446-L449 PolarHBondContact O-N 3.12Å; L449-L457 HydrophobicContact CD1-CD1 3.59Å
450	S	86.6	Confident	85.3	Confident	57 Å²	57	70 Å²	70	40%	0.399	39%	0.387	S	S	.	.			trans	-71.2	155	168.5	93	0	0	0	0	111.2	G452 D453 A454	S450-G452 PolarHBondContact O-N 2.88Å; S450-G452 PolarHBondContact OG-N 3.43Å; S450-D453 WeakPolarHBondContact CB-OD2 3.4Å; S450-D453 PolarHBondContact O-N 3.1Å; S450-D453 PolarHBondContact OG-N 3.35Å; S450-D453 PolarHBondContact OG-OD2 3Å; S450-A454 PolarHBondContact O-N 3.39Å
451	L	84.4	Confident	84.8	Confident	88 Å²	88	66.4 Å²	66.4	46%	0.461	37%	0.373	S	S	.	.	H	α-helix	trans	-56.4	-37.1	173.9	-166	157.9	0	0	0	111.7	L411 G412 L415 G455	L411-L451 HydrophobicContact CB-CG 4.43Å; G412-L451 WeakPolarHBondContact O-CD1 3.36Å; L415-L451 HydrophobicContact CD2-CB 4.33Å; L451-G455 PolarHBondContact O-N 3.19Å
452	G	83.3	Confident	83.8	Confident	39 Å²	39	78.4 Å²	78.4	40%	0.402	42%	0.418	S	S	.	.	H	α-helix	trans	-68	-33.7	175.2	0	0	0	0	0	113.5	S450 K456	S450-G452 PolarHBondContact O-N 2.88Å; S450-G452 PolarHBondContact OG-N 3.43Å; G452-K456 WeakPolarHBondContact O-CE 3.25Å; G452-K456 VanDerWaalsContact O-CG 3.23Å; G452-K456 WeakPolarHBondContact O-CG 3.48Å; G452-K456 PolarHBondContact O-N 3.39Å
453	D	88.6	Confident	83.1	Confident	65 Å²	65	76.3 Å²	76.3	35%	0.348	41%	0.412	S	S	.	.	H	α-helix	trans	-83.1	-35.7	-179.8	-63.3	-58.4	0	0	0	112.6	S450 G455 K456 L457	S450-D453 WeakPolarHBondContact CB-OD2 3.4Å; S450-D453 PolarHBondContact O-N 3.1Å; S450-D453 PolarHBondContact OG-N 3.35Å; S450-D453 PolarHBondContact OG-OD2 3Å; D453-G455 VanDerWaalsContact C-N 3.32Å; D453-K456 PolarHBondContact O-N 3.36Å; D453-K456 WeakPolarHBondContact OD1-CD 3.12Å; D453-K456 WeakPolarHBondContact OD1-CE 3.24Å; D453-K456 IonicContact OD1-NZ 2.71Å; D453-K456 PolarHBondContact OD1-NZ 3.47Å; D453-L457 WeakPolarHBondContact O-CG 3.44Å; D453-L457 PolarHBondContact O-N 3.22Å
454	A	86.8	Confident	83.3	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-58.8	-43.8	165.5	0	0	0	0	0	111.3	L411 L415 I441 S450 L457 I458	L411-A454 HydrophobicContact CD1-CB 4.05Å; L415-A454 HydrophobicContact CD1-CB 4.16Å; L415-A454 HydrophobicContact CD2-CB 3.51Å; L415-A454 HydrophobicContact CG-CB 4.48Å; I441-A454 HydrophobicContact CD1-CB 3.72Å; S450-A454 PolarHBondContact O-N 3.39Å; A454-L457 PolarHBondContact O-N 3.11Å; A454-I458 WeakPolarHBondContact O-CG1 3.43Å; A454-I458 PolarHBondContact O-N 3.26Å
455	G	83.6	Confident	83.4	Confident	31 Å²	31	77.5 Å²	77.5	32%	0.32	39%	0.391	S	S	.	.	H	α-helix	trans	-57.3	-48.4	171.7	0	0	0	0	0	112.7	L451 D453 L457 I458 E459	L451-G455 PolarHBondContact O-N 3.19Å; D453-G455 VanDerWaalsContact C-N 3.32Å; G455-L457 VanDerWaalsContact C-N 3.3Å; G455-L457 PolarHBondContact O-N 3.33Å; G455-I458 PolarHBondContact O-N 3.46Å; G455-E459 WeakPolarHBondContact O-CB 3.47Å; G455-E459 PolarHBondContact O-N 2.8Å
456	K	87	Confident	83.4	Confident	95 Å²	95	78.2 Å²	78.2	41%	0.413	39%	0.391	S	S	.	.	H	α-helix	trans	-60.2	-35	174.3	-69.8	163.9	-148.4	164.5	0	112.8	G452 D453 K460	G452-K456 WeakPolarHBondContact O-CE 3.25Å; G452-K456 VanDerWaalsContact O-CG 3.23Å; G452-K456 WeakPolarHBondContact O-CG 3.48Å; G452-K456 PolarHBondContact O-N 3.39Å; D453-K456 PolarHBondContact O-N 3.36Å; D453-K456 WeakPolarHBondContact OD1-CD 3.12Å; D453-K456 WeakPolarHBondContact OD1-CE 3.24Å; D453-K456 IonicContact OD1-NZ 2.71Å; D453-K456 PolarHBondContact OD1-NZ 3.47Å; K456-K460 WeakPolarHBondContact O-CB 3.48Å; K456-K460 WeakPolarHBondContact O-CD 3.34Å; K456-K460 WeakPolarHBondContact O-CG 3.22Å; K456-K460 PolarHBondContact O-N 3.39Å
457	L	85	Confident	83.7	Confident	45 Å²	45	77.8 Å²	77.8	24%	0.236	39%	0.388	C	S	.	.	H	α-helix	trans	-70.8	-33.8	177	-73.3	175.1	0	0	0	112.5	I441 T444 L449 D453 A454 G455 S461	I441-L457 HydrophobicContact CB-CD1 4.47Å; I441-L457 HydrophobicContact CG2-CB 3.82Å; T444-L457 HydrophobicContact CG2-CD1 4.27Å; L449-L457 HydrophobicContact CD1-CD1 3.59Å; D453-L457 WeakPolarHBondContact O-CG 3.44Å; D453-L457 PolarHBondContact O-N 3.22Å; A454-L457 PolarHBondContact O-N 3.11Å; G455-L457 VanDerWaalsContact C-N 3.3Å; G455-L457 PolarHBondContact O-N 3.33Å; L457-S461 PolarHBondContact O-N 3.12Å
458	I	86.3	Confident	84.3	Confident	20 Å²	20	71.4 Å²	71.4	10%	0.103	36%	0.359	C	S	.	.	H	α-helix	trans	-68.4	-48.5	171.7	-70.8	169	0	0	0	110.1	Y407 L411 I441 A454 G455 S461 L465	Y407-I458 HydrophobicContact CD2-CG2 4.19Å; L411-I458 HydrophobicContact CD1-CD1 3.97Å; I441-I458 HydrophobicContact CG2-CG1 4.35Å; A454-I458 WeakPolarHBondContact O-CG1 3.43Å; A454-I458 PolarHBondContact O-N 3.26Å; G455-I458 PolarHBondContact O-N 3.46Å; I458-S461 WeakPolarHBondContact O-CB 3.36Å; I458-S461 PolarHBondContact O-N 3.32Å; I458-S461 PolarHBondContact O-OG 2.68Å; I458-L465 HydrophobicContact CB-CD2 4.46Å; I458-L465 HydrophobicContact CG1-CD1 4.09Å; I458-L465 HydrophobicContact CG1-CD2 4.14Å; I458-L465 HydrophobicContact CG2-CD2 3.96Å
459	E	82.9	Confident	85	Confident	162 Å²	162	63.6 Å²	63.6	76%	0.757	32%	0.318	S	S	*	.	H	α-helix	trans	-65.9	-40.7	-179.7	-171.8	-176.8	-163.2	0	0	113	G455 S461	G455-E459 WeakPolarHBondContact O-CB 3.47Å; G455-E459 PolarHBondContact O-N 2.8Å; E459-S461 PolarHBondContact O-N 2.74Å
460	K	82.2	Confident	85.2	Confident	151 Å²	151	62.2 Å²	62.2	66%	0.657	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-12	175.4	-73.8	170.6	-178.9	179.8	0	113.6	K456 R462	K456-K460 WeakPolarHBondContact O-CB 3.48Å; K456-K460 WeakPolarHBondContact O-CD 3.34Å; K456-K460 WeakPolarHBondContact O-CG 3.22Å; K456-K460 PolarHBondContact O-N 3.39Å; K460-R462 PolarHBondContact O-N 3.35Å; K460-R462 VanDerWaalsContact O-N 3.12Å
461	S	80.3	Confident	85.1	Confident	12 Å²	12	61.3 Å²	61.3	8%	0.084	30%	0.298	C	S	.	.			trans	-68.8	111.6	-178.1	75.3	0	0	0	0	110.3	Y407 N442 L457 I458 E459 G463 R464	Y407-S461 WeakPolarHBondContact CE2-OG 3.39Å; N442-S461 WeakPolarHBondContact ND2-CB 3.44Å; L457-S461 PolarHBondContact O-N 3.12Å; I458-S461 WeakPolarHBondContact O-CB 3.36Å; I458-S461 PolarHBondContact O-N 3.32Å; I458-S461 PolarHBondContact O-OG 2.68Å; E459-S461 PolarHBondContact O-N 2.74Å; S461-G463 PolarHBondContact O-N 2.75Å; S461-R464 WeakPolarHBondContact CB-O 3.24Å
462	R	70.3	Confident	84.8	Confident	252 Å²	252	58.1 Å²	58.1	95%	0.951	28%	0.281	S	S	*	.			trans	-78.7	64	-171.7	-68	-173.1	177.6	-178.5	-0.2	112	K460 R464	K460-R462 PolarHBondContact O-N 3.35Å; K460-R462 VanDerWaalsContact O-N 3.12Å; R462-R464 VanDerWaalsContact C-N 3.34Å; R462-R464 PolarHBondContact O-N 3.38Å
463	G	74.4	Confident	83.8	Confident	23 Å²	23	65 Å²	65	24%	0.237	30%	0.295	C	S	.	.	S	Bend	trans	87.6	-5.8	176.8	0	0	0	0	0	115.2	K400 Y407 S461	K400-G463 PolarHBondContact N-O 3.12Å; Y407-G463 WeakPolarHBondContact OH-CA 3.44Å; Y407-G463 PolarHBondContact OH-O 2.65Å; S461-G463 PolarHBondContact O-N 2.75Å
464	R	86.2	Confident	82.5	Confident	148 Å²	148	68.1 Å²	68.1	56%	0.558	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	116.5	177.7	178.3	174.6	176.3	171.4	2.6	110	L397 L399 Y407 S461 R462	L397-R464 HydrophobicContact CD1-CG 3.78Å; L399-R464 HydrophobicContact CD2-CB 3.9Å; L399-R464 HydrophobicContact CD2-CG 3.74Å; Y407-R464 PolarHBondContact OH-N 3.02Å; S461-R464 WeakPolarHBondContact CB-O 3.24Å; R462-R464 VanDerWaalsContact C-N 3.34Å; R462-R464 PolarHBondContact O-N 3.38Å
465	L	89.5	Confident	81.3	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	111.4	179.4	177.1	61	0	0	0	110	L398 Y407 L409 I441 N442 I458 L467	L398-L465 HydrophobicContact CB-CB 4.38Å; L398-L465 HydrophobicContact CD1-CD2 4.42Å; L398-L465 PolarHBondContact N-O 3.01Å; L398-L465 PolarHBondContact O-N 3.44Å; Y407-L465 HydrophobicContact CD1-CB 4.14Å; Y407-L465 HydrophobicContact CD1-CD2 3.79Å; Y407-L465 HydrophobicContact CD2-CD2 4Å; Y407-L465 HydrophobicContact CE1-CB 3.63Å; Y407-L465 HydrophobicContact CE1-CD2 4.15Å; Y407-L465 HydrophobicContact CE2-CB 4.2Å; Y407-L465 HydrophobicContact CE2-CD2 4.34Å; Y407-L465 HydrophobicContact CG-CD2 3.72Å; L409-L465 HydrophobicContact CD1-CD2 4.33Å; I441-L465 HydrophobicContact CG2-CD1 3.92Å; N442-L465 WeakPolarHBondContact OD1-CA 3.28Å; I458-L465 HydrophobicContact CB-CD2 4.46Å; I458-L465 HydrophobicContact CG1-CD1 4.09Å; I458-L465 HydrophobicContact CG1-CD2 4.14Å; I458-L465 HydrophobicContact CG2-CD2 3.96Å; L465-L467 HydrophobicContact CD1-CD2 3.97Å; L465-L467 HydrophobicContact CG-CD2 4.16Å; L465-L467 HydrophobicContact CG-CG 4.19Å
466	Q	88.6	Confident	80.2	Confident	75 Å²	75	75.8 Å²	75.8	35%	0.35	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.9	173.7	-171.8	171.6	-18.8	0	0	109.9	V396 L397 N442	V396-Q466 WeakPolarHBondContact O-CA 3.44Å; L397-Q466 HydrophobicContact CD1-CB 3.66Å; L397-Q466 HydrophobicContact CD1-CG 4.12Å; N442-Q466 PolarHBondContact N-O 3.3Å; N442-Q466 PolarHBondContact OD1-N 2.86Å
467	L	92.4	Very high	78.9	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.7	175.5	-59.5	179.3	0	0	0	109.7	V396 L409 L432 I438 K440 I441 L465 V469	V396-L467 PolarHBondContact N-O 2.62Å; V396-L467 PolarHBondContact O-N 2.91Å; L409-L467 HydrophobicContact CD1-CD1 3.68Å; L432-L467 HydrophobicContact CD1-CD1 3.93Å; I438-L467 HydrophobicContact CD1-CD1 4.26Å; I438-L467 HydrophobicContact CD1-CD2 4.38Å; I438-L467 HydrophobicContact CG2-CD2 4.09Å; K440-L467 WeakPolarHBondContact O-CA 3.37Å; I441-L467 HydrophobicContact CB-CD2 4.3Å; I441-L467 HydrophobicContact CG1-CD2 3.86Å; I441-L467 HydrophobicContact CG2-CD2 4.16Å; L465-L467 HydrophobicContact CD1-CD2 3.97Å; L465-L467 HydrophobicContact CG-CD2 4.16Å; L465-L467 HydrophobicContact CG-CG 4.19Å; L467-V469 HydrophobicContact CB-CG1 4.15Å
468	V	91.1	Very high	77.8	Confident	22 Å²	22	74.3 Å²	74.3	13%	0.133	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.4	165.8	-174.7	0	0	0	0	106.3	P393 V394 N395 L439 K440	P393-V468 HydrophobicContact CB-CG1 4.25Å; V394-V468 WeakPolarHBondContact O-CA 3.47Å; N395-V468 WeakPolarHBondContact OD1-CG2 3.44Å; L439-V468 PolarHBondContact N-O 3.25Å; K440-V468 HydrophobicContact CB-CB 3.89Å; K440-V468 HydrophobicContact CB-CG2 3.82Å; K440-V468 HydrophobicContact CD-CG2 4.43Å; K440-V468 HydrophobicContact CG-CB 4.18Å; K440-V468 HydrophobicContact CG-CG2 4.27Å; K440-V468 PolarHBondContact N-O 3.48Å; K440-V468 PolarHBondContact O-N 2.85Å
469	V	91.4	Very high	76.3	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145	-173.5	-54.3	0	0	0	0	112.4	P393 V394 L432 D436 I437 I438 L467	P393-V469 CarbonylContact C-O 3.59Å; P393-V469 VanDerWaalsContact CA-O 3.26Å; P393-V469 WeakPolarHBondContact CA-O 3.37Å; V394-V469 HydrophobicContact CB-CG2 3.99Å; V394-V469 PolarHBondContact N-O 2.94Å; V394-V469 PolarHBondContact O-N 3.06Å; L432-V469 HydrophobicContact CD2-CG1 3.76Å; L432-V469 HydrophobicContact CD2-CG2 3.97Å; D436-V469 HydrophobicContact CB-CB 4.14Å; D436-V469 HydrophobicContact CB-CG2 4.23Å; I437-V469 CarbonylContact O-C 3.51Å; I437-V469 VanDerWaalsContact O-CA 3.22Å; I437-V469 WeakPolarHBondContact O-CA 3.39Å; I438-V469 HydrophobicContact CB-CG1 4.5Å; I438-V469 HydrophobicContact CG1-CG1 4.05Å; L467-V469 HydrophobicContact CB-CG1 4.15Å
470	Q	88.9	Confident	74.9	Confident	22 Å²	22	74 Å²	74	10%	0.103	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.8	174	-178	57.5	56.2	0	0	109.2	E391 I437 L439 L477	E391-Q470 PolarHBondContact O-NE2 2.81Å; E391-Q470 PolarHBondContact O-OE1 2.94Å; I437-Q470 PolarHBondContact N-O 3.1Å; I437-Q470 PolarHBondContact O-N 3.27Å; L439-Q470 HydrophobicContact CD1-CB 3.9Å; L439-Q470 HydrophobicContact CD2-CB 4.25Å; L439-Q470 HydrophobicContact CG-CB 3.97Å; Q470-L477 HydrophobicContact CG-CD1 4.15Å
471	R	84.8	Confident	73.4	Confident	38 Å²	38	71.7 Å²	71.7	14%	0.143	32%	0.322	C	S	.	.			trans	-88	131.6	174.3	-167	161.9	-66.9	159.1	5.9	109.6	N431 Q433 D436 R473	N431-R471 PolarHBondContact O-NH2 2.77Å; Q433-R471 VanDerWaalsContact CD-CZ 3.45Å; Q433-R471 VanDerWaalsContact OE1-CZ 3.26Å; D436-R471 WeakPolarHBondContact OD1-CB 3.36Å; D436-R471 WeakPolarHBondContact OD1-CG 3.33Å; D436-R471 IonicContact OD1-CZ 3.92Å; D436-R471 IonicContact OD1-NE 3.89Å; D436-R471 PolarHBondContact OD1-NE 3.21Å; D436-R471 IonicContact OD1-NH2 3.66Å; D436-R471 PolarHBondContact OD1-NH2 3.35Å; D436-R471 IonicContact OD2-CZ 3.09Å; D436-R471 IonicContact OD2-NE 2.71Å; D436-R471 IonicContact OD2-NH2 2.79Å; D436-R471 PolarHBondContact OD2-NH2 3.42Å; R471-R473 HydrophobicContact CG-CG 4.21Å
472	D	76.9	Confident	71.8	Confident	21 Å²	21	77.1 Å²	77.1	11%	0.112	36%	0.357	C	S	.	.			trans	-122.2	87.9	176.9	175.2	14.2	0	0	0	110.5	R474 Q475 I476 L477	D472-R474 PolarHBondContact O-N 2.75Å; D472-R474 VanDerWaalsContact O-N 3.1Å; D472-R474 PolarHBondContact OD1-N 2.88Å; D472-Q475 PolarHBondContact O-N 2.74Å; D472-Q475 PolarHBondContact OD1-N 2.98Å; D472-Q475 VanDerWaalsContact OD2-C 3.31Å; D472-Q475 VanDerWaalsContact OD2-CA 3.25Å; D472-Q475 WeakPolarHBondContact OD2-CA 3.36Å; D472-Q475 PolarHBondContact OD2-N 3.39Å; D472-I476 PolarHBondContact OD1-N 3.1Å; D472-I476 PolarHBondContact OD2-N 3.39Å; D472-L477 HydrophobicContact CB-CD1 4.29Å; D472-L477 HydrophobicContact CB-CG 4.47Å; D472-L477 WeakPolarHBondContact OD2-CB 3.43Å; D472-L477 PolarHBondContact OD2-N 2.84Å
473	R	62.7	Low	70.5	Confident	184 Å²	184	70.9 Å²	70.9	69%	0.694	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.4	-179.4	-52.9	-172.7	-170	-152.8	6	114.1	E391 R471	E391-R473 IonicContact OE1-CZ 3.96Å; E391-R473 IonicContact OE1-NE 3.54Å; E391-R473 IonicContact OE1-NH2 3.82Å; E391-R473 PolarHBondContact OE1-NH2 3.05Å; E391-R473 IonicContact OE2-CZ 3.02Å; E391-R473 VanDerWaalsContact OE2-CZ 3.25Å; E391-R473 IonicContact OE2-NE 3.18Å; E391-R473 PolarHBondContact OE2-NE 2.85Å; E391-R473 IonicContact OE2-NH2 3.61Å; E391-R473 PolarHBondContact OE2-NH2 3.39Å; R471-R473 HydrophobicContact CG-CG 4.21Å
474	R	61.2	Low	68.7	Low	129 Å²	129	76 Å²	76	49%	0.487	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-3.9	-177.7	-70.7	-173.4	177.5	-157.6	3.6	113.7	E388 D472 I476	E388-R474 IonicContact OE2-CZ 2.69Å; E388-R474 IonicContact OE2-NH2 2.83Å; E388-R474 PolarHBondContact OE2-NH2 2.8Å; D472-R474 PolarHBondContact O-N 2.75Å; D472-R474 VanDerWaalsContact O-N 3.1Å; D472-R474 PolarHBondContact OD1-N 2.88Å; R474-I476 VanDerWaalsContact C-N 3.26Å; R474-I476 HydrophobicContact CB-CD1 3.65Å; R474-I476 HydrophobicContact CB-CG1 3.72Å; R474-I476 HydrophobicContact CG-CD1 4.35Å; R474-I476 PolarHBondContact O-N 3.06Å
475	Q	61.3	Low	66.3	Low	84 Å²	84	76.1 Å²	76.1	39%	0.393	38%	0.378	S	S	.	.			trans	52.2	43.2	-173.5	-64.6	-165.8	-5.4	0	0	113.1	D472 I478 R479 I480	D472-Q475 PolarHBondContact O-N 2.74Å; D472-Q475 PolarHBondContact OD1-N 2.98Å; D472-Q475 VanDerWaalsContact OD2-C 3.31Å; D472-Q475 VanDerWaalsContact OD2-CA 3.25Å; D472-Q475 WeakPolarHBondContact OD2-CA 3.36Å; D472-Q475 PolarHBondContact OD2-N 3.39Å; Q475-I478 WeakPolarHBondContact CA-O 3.44Å; Q475-I478 VanDerWaalsContact CB-O 3.29Å; Q475-I478 WeakPolarHBondContact CB-O 3.45Å; Q475-I478 WeakPolarHBondContact CG-O 3.35Å; Q475-R479 HydrophobicContact CB-CG 4.09Å; Q475-I480 PolarHBondContact NE2-O 3.43Å
476	I	59.7	Low	63.5	Low	108 Å²	108	81.4 Å²	81.4	55%	0.554	42%	0.415	S	S	*	.	S	Bend	trans	-80.7	-38.7	174.7	-66.2	169.3	0	0	0	110.6	D472 R474	D472-I476 PolarHBondContact OD1-N 3.1Å; D472-I476 PolarHBondContact OD2-N 3.39Å; R474-I476 VanDerWaalsContact C-N 3.26Å; R474-I476 HydrophobicContact CB-CD1 3.65Å; R474-I476 HydrophobicContact CB-CG1 3.72Å; R474-I476 HydrophobicContact CG-CD1 4.35Å; R474-I476 PolarHBondContact O-N 3.06Å
477	L	60.7	Low	61.1	Low	88 Å²	88	85.3 Å²	85.3	46%	0.461	44%	0.438	S	S	.	.	S	Bend	trans	-84.6	-46.1	-179.9	-58.4	178.8	0	0	0	111.4	L390 I437 Q470 D472	L390-L477 HydrophobicContact CD1-CD1 4.25Å; L390-L477 HydrophobicContact CD1-CD2 4.39Å; L390-L477 HydrophobicContact CD1-CG 4.46Å; I437-L477 HydrophobicContact CD1-CB 3.8Å; I437-L477 HydrophobicContact CD1-CD1 3.9Å; Q470-L477 HydrophobicContact CG-CD1 4.15Å; D472-L477 HydrophobicContact CB-CD1 4.29Å; D472-L477 HydrophobicContact CB-CG 4.47Å; D472-L477 WeakPolarHBondContact OD2-CB 3.43Å; D472-L477 PolarHBondContact OD2-N 2.84Å
478	I	62.6	Low	58.2	Low	21 Å²	21	90.9 Å²	90.9	11%	0.108	48%	0.478	C	S	.	.			trans	-140.7	129.1	179.8	-52.8	-179	0	0	0	110.1	Q414 F416 I437 Q475 I480	Q414-I478 HydrophobicContact CB-CD1 3.88Å; F416-I478 HydrophobicContact CB-CD1 4.35Å; F416-I478 HydrophobicContact CD1-CD1 4Å; F416-I478 HydrophobicContact CD1-CG2 4.48Å; F416-I478 HydrophobicContact CE1-CG2 4.48Å; I437-I478 HydrophobicContact CD1-CD1 3.66Å; I437-I478 HydrophobicContact CD1-CG1 3.82Å; I437-I478 HydrophobicContact CG1-CD1 3.89Å; Q475-I478 WeakPolarHBondContact CA-O 3.44Å; Q475-I478 VanDerWaalsContact CB-O 3.29Å; Q475-I478 WeakPolarHBondContact CB-O 3.45Å; Q475-I478 WeakPolarHBondContact CG-O 3.35Å; I478-I480 HydrophobicContact CG2-CG1 3.93Å
479	R	54	Low	55.4	Low	129 Å²	129	99.4 Å²	99.4	49%	0.487	52%	0.516	S	S	.	.			trans	-91.4	108.1	170.6	-85.4	174.8	158.4	-114.2	-2.1	111.1	Q475 S517 N519	Q475-R479 HydrophobicContact CB-CG 4.09Å; R479-S517 VanDerWaalsContact CD-OG 3.28Å; R479-S517 WeakPolarHBondContact CD-OG 3.27Å; R479-N519 PolarHBondContact NH1-OD1 3.05Å; R479-N519 PolarHBondContact NH2-OD1 2.84Å; R479-N519 VanDerWaalsContact NH2-OD1 3.08Å
480	I	53.7	Low	52.9	Low	46 Å²	46	107 Å²	107	24%	0.236	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-102.9	116.3	177.7	-57	171.4	0	0	0	107.9	F416 Q475 I478	F416-I480 HydrophobicContact CD2-CD1 3.56Å; F416-I480 HydrophobicContact CD2-CG1 4.46Å; F416-I480 HydrophobicContact CE2-CD1 3.56Å; F416-I480 HydrophobicContact CE2-CG1 4.06Å; F416-I480 HydrophobicContact CE2-CG2 4.5Å; F416-I480 HydrophobicContact CG-CD1 4.15Å; F416-I480 HydrophobicContact CZ-CD1 4.12Å; F416-I480 HydrophobicContact CZ-CG1 4.16Å; Q475-I480 PolarHBondContact NE2-O 3.43Å; I478-I480 HydrophobicContact CG2-CG1 3.93Å
481	P	50.4	Low	50.3	Low	104 Å²	104	113.1 Å²	113.1	68%	0.675	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-61.7	141.6	174.7	-21.9	33.6	0	0	0	111.3	M483	P481-M483 PolarHBondContact O-N 2.71Å
482	P	47.7	Very low	47.8	Very low	125 Å²	125	118.8 Å²	118.8	81%	0.812	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-64.7	126.7	176.4	27.5	-33.8	0	0	0	110.1
483	M	43.1	Very low	45.4	Very low	122 Å²	122	125.8 Å²	125.8	60%	0.601	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-72.8	140.2	170.2	-72.1	169.4	51.7	0	0	109.1	E419 P481	E419-M483 HydrophobicContact CG-CE 4.22Å; P481-M483 PolarHBondContact O-N 2.71Å
484	V	36.6	Very low	43.9	Very low	130 Å²	130	122.4 Å²	122.4	79%	0.788	66%	0.662	S	S	*	*			trans	-112	130.9	172.4	-84.1	0	0	0	0	108.4
485	D	35.4	Very low	42.6	Very low	150 Å²	150	124.9 Å²	124.9	80%	0.802	68%	0.68	S	S	*	*			trans	-62.9	146	-177	-53.4	-63.3	0	0	0	111.3
486	S	30.8	Very low	41.3	Very low	111 Å²	111	128 Å²	128	78%	0.776	70%	0.697	S	S	*	*			trans	-150.8	82.4	171.7	-74	0	0	0	0	108.5	S488	S486-S488 PolarHBondContact O-N 3.42Å
487	D	37	Very low	39.8	Very low	157 Å²	157	130.1 Å²	130.1	84%	0.84	71%	0.705	S	S	*	*			trans	-56.8	125	168.9	-65.8	-48.4	0	0	0	111
488	S	32.9	Very low	38.3	Very low	118 Å²	118	129.3 Å²	129.3	83%	0.825	71%	0.707	S	S	*	*			trans	-155.9	128.7	161.8	-74.2	0	0	0	0	107.9	S486	S486-S488 PolarHBondContact O-N 3.42Å
489	E	31.3	Very low	36.5	Very low	201 Å²	201	137.4 Å²	137.4	94%	0.939	74%	0.737	S	S	*	*			trans	-82.6	-177.5	-166.8	-61.9	-176.8	114.2	0	0	113.4
490	L	40	Very low	35.3	Very low	158 Å²	158	141 Å²	141	83%	0.827	75%	0.751	S	S	*	*			trans	-81.2	171.7	-177.3	-74.5	162.5	0	0	0	113.4
491	D	33	Very low	34.1	Very low	152 Å²	152	143.2 Å²	143.2	81%	0.813	77%	0.77	S	S	*	*			trans	64.8	100.4	165.1	-58.8	-19.7	0	0	0	118
492	D	31.9	Very low	33	Very low	156 Å²	156	149.3 Å²	149.3	83%	0.834	78%	0.781	S	S	*	*				-168.4	103.9	112.7	-140.8	-7.7	0	0	0	112.8
493	I	26.4	Very low	32.2	Very low	168 Å²	168	148.5 Å²	148.5	86%	0.862	78%	0.779	S	S	*	*			trans	-168.3	100.4	156.7	28.3	170.9	0	0	0	113
494	S	32.5	Very low	31.9	Very low	113 Å²	113	148.7 Å²	148.7	79%	0.79	79%	0.789	S	S	*	*			trans	-168.6	146.8	142.2	-84.9	0	0	0	0	111.6
495	E	33.4	Very low	31.5	Very low	182 Å²	182	150.4 Å²	150.4	85%	0.85	79%	0.788	S	S	*	*			trans	76.4	135.5	176.2	-65.8	-170.7	-160.6	0	0	116.4
496	I	33.9	Very low	31	Very low	149 Å²	149	149.4 Å²	149.4	76%	0.764	78%	0.779	S	S	*	*			cis	-161.1	166.9	-6.8	-143.4	160.5	0	0	0	108
497	E	29.5	Very low	30.8	Very low	153 Å²	153	154 Å²	154	72%	0.715	78%	0.779	S	S	*	*			cis	-140	-78.6	7.7	-175.6	-134.5	-147.5	0	0	113
498	S	27.5	Very low	30.2	Very low	71 Å²	71	150.3 Å²	150.3	50%	0.497	78%	0.779	S	S	.	*			trans	-150.6	167.2	-166.1	84.8	0	0	0	0	113.2
499	Y	26.5	Very low	30.3	Very low	190 Å²	190	152.7 Å²	152.7	75%	0.745	78%	0.776	S	S	*	*				-147.7	127.1	68	-107.8	-101.8	0	0	0	114.7
500	R	28.7	Very low	30.5	Very low	205 Å²	205	148.2 Å²	148.2	77%	0.774	77%	0.765	S	S	*	*			trans	48.4	92.7	144.4	-64.5	-174.4	-175.4	-102	-2.3	121
501	S	28.3	Very low	29.8	Very low	93 Å²	93	145.9 Å²	145.9	65%	0.65	76%	0.762	S	S	*	*				55.3	123	116.7	65.8	0	0	0	0	121.6
502	Y	26.9	Very low	29.5	Very low	231 Å²	231	145.2 Å²	145.2	91%	0.906	76%	0.758	S	S	*	*				-150.4	150.3	107.2	-106.1	-78.4	0	0	0	110.1
503	S	29.9	Very low	29.3	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	76%	0.759	S	S	*	*			trans	-103.8	161.6	171.9	-49.2	0	0	0	0	109.3
504	P	37.7	Very low	29.4	Very low	126 Å²	126	142.8 Å²	142.8	82%	0.818	76%	0.755	S	S	*	*				-137.5	-170.6	74.7	39.3	-23.3	0	0	0	115
505	Q	27.1	Very low	29.2	Very low	166 Å²	166	142 Å²	142	78%	0.776	75%	0.749	S	S	*	*			trans	-80.4	168.8	-166.8	-68.7	143.7	-111.7	0	0	116.3
506	E	25.7	Very low	28.9	Very low	129 Å²	129	142.6 Å²	142.6	60%	0.603	75%	0.752	S	S	*	*			trans	98.5	141.6	133.4	-113.4	-179.4	-96.2	0	0	121.5
507	R	26.2	Very low	28.4	Very low	208 Å²	208	139 Å²	139	79%	0.785	74%	0.74	S	S	*	*			trans	61.7	125.5	165.4	-57.6	-178.4	-161.8	-154.6	0	118.2
508	G	25.8	Very low	28.3	Very low	80 Å²	80	137.4 Å²	137.4	83%	0.825	75%	0.745	S	S	*	*			trans	-173.9	58.1	-176.7	0	0	0	0	0	111.8
509	H	33.2	Very low	28.2	Very low	167 Å²	167	138.5 Å²	138.5	77%	0.773	75%	0.746	S	S	*	*			trans	-68.4	179.6	162.2	-45.6	-100.8	0	0	0	109.5
510	P	36.4	Very low	28.1	Very low	107 Å²	107	135.4 Å²	135.4	70%	0.695	74%	0.738	S	S	*	*			cis	-124.8	-157.6	-7.3	38.6	-19.2	0	0	0	111.1
511	S	26.4	Very low	28	Very low	110 Å²	110	135.7 Å²	135.7	77%	0.769	74%	0.739	S	S	*	*				-172	143.9	86.1	25.4	0	0	0	0	113
512	D	25.6	Very low	28	Very low	137 Å²	137	138.3 Å²	138.3	73%	0.733	75%	0.745	S	S	*	*			trans	-65.8	168.3	162.7	-44.5	-91.8	0	0	0	110.4
513	L	27.8	Very low	28	Very low	165 Å²	165	136.3 Å²	136.3	86%	0.864	74%	0.736	S	S	*	*				-164.5	150.7	58.2	-79.3	167.6	0	0	0	113.4
514	S	27.6	Very low	27.9	Very low	109 Å²	109	135.1 Å²	135.1	76%	0.762	72%	0.721	S	S	*	*			trans	29.8	127.6	140.6	-161.8	0	0	0	0	121.1
515	S	29.7	Very low	27.5	Very low	96 Å²	96	136.9 Å²	136.9	67%	0.671	72%	0.716	S	S	*	*			trans	-56.4	148.5	157.4	-47.4	0	0	0	0	113
516	H	27.2	Very low	28.2	Very low	195 Å²	195	133.8 Å²	133.8	90%	0.903	71%	0.71	S	S	*	*				176.8	155.9	107.5	-95.2	-75	0	0	0	111.2
517	S	23.3	Very low	28.3	Very low	74 Å²	74	138.4 Å²	138.4	52%	0.517	72%	0.722	S	S	.	*			trans	-125.4	129.4	-175.4	148	0	0	0	0	112.4	R479	R479-S517 VanDerWaalsContact CD-OG 3.28Å; R479-S517 WeakPolarHBondContact CD-OG 3.27Å
518	S	27.8	Very low	28.3	Very low	119 Å²	119	136.1 Å²	136.1	83%	0.832	73%	0.725	S	S	*	*			trans	-168.7	164.8	134.4	52	0	0	0	0	113.2
519	N	24.8	Very low	28.5	Very low	94 Å²	94	139.4 Å²	139.4	50%	0.503	72%	0.724	S	S	.	*			trans	-73.4	145.9	-158.9	-97.9	23.4	0	0	0	119.2	R479	R479-N519 PolarHBondContact NH1-OD1 3.05Å; R479-N519 PolarHBondContact NH2-OD1 2.84Å; R479-N519 VanDerWaalsContact NH2-OD1 3.08Å
520	E	23.9	Very low	28.9	Very low	125 Å²	125	136.6 Å²	136.6	58%	0.584	72%	0.72	S	S	*	*				84.3	133.8	127.4	-75.8	-177.7	104	0	0	125.8
521	R	26.3	Very low	28.5	Very low	211 Å²	211	137 Å²	137	80%	0.796	73%	0.726	S	S	*	*			trans	79.7	84.1	143.2	-71.3	172.8	-156.1	-136	3.3	121.1
522	L	27.8	Very low	28.6	Very low	147 Å²	147	137.2 Å²	137.2	77%	0.77	73%	0.727	S	S	*	*				-24.5	149.8	117.6	-57	172.4	0	0	0	112.9
523	R	28.2	Very low	28.8	Very low	190 Å²	190	141.7 Å²	141.7	72%	0.717	73%	0.734	S	S	*	*			cis	-172.5	-177.6	14.7	-122.9	172.2	-170.9	-85	0.5	107.4
524	D	26.7	Very low	29.1	Very low	83 Å²	83	142.3 Å²	142.3	44%	0.444	74%	0.737	S	S	.	*			cis	-166	170.1	7	-138.9	-19.7	0	0	0	112.3
525	K	30.1	Very low	29.3	Very low	163 Å²	163	141.6 Å²	141.6	71%	0.709	74%	0.738	S	S	*	*			trans	77.9	158	141.2	-81.3	160.9	-172.6	138.9	0	122.9
526	P	40.7	Very low	29.3	Very low	100 Å²	100	145.7 Å²	145.7	65%	0.649	74%	0.743	S	S	*	*				-145.3	-167.5	-128.6	47.4	-27.7	0	0	0	117.2
527	R	29.6	Very low	29.4	Very low	227 Å²	227	144.6 Å²	144.6	86%	0.857	74%	0.741	S	S	*	*			trans	69.8	140.8	161.4	-77.1	-174.9	175.6	170.4	-2.2	115.7
528	D	25.6	Very low	29.6	Very low	159 Å²	159	144.5 Å²	144.5	85%	0.85	75%	0.752	S	S	*	*				-143.6	167.2	55.8	-90	-40.7	0	0	0	116.5
529	D	30.2	Very low	29.7	Very low	149 Å²	149	144 Å²	144	80%	0.797	76%	0.755	S	S	*	*			trans	-108.6	166.8	163.7	-128.8	-13.8	0	0	0	106.3
530	P	41.1	Very low	29.8	Very low	109 Å²	109	147.7 Å²	147.7	71%	0.708	77%	0.771	S	S	*	*			cis	-141.6	172.3	23.9	43.1	-25.1	0	0	0	117
531	S	28	Very low	30.7	Very low	116 Å²	116	147.1 Å²	147.1	81%	0.811	78%	0.779	S	S	*	*				-173	118.9	121.4	-85.5	0	0	0	0	113.6
532	S	29.1	Very low	30.8	Very low	114 Å²	114	142.7 Å²	142.7	80%	0.797	78%	0.775	S	S	*	*			trans	-83.7	129.9	167.6	172.8	0	0	0	0	110.9
533	R	29.8	Very low	31.3	Very low	231 Å²	231	140.8 Å²	140.8	87%	0.872	77%	0.771	S	S	*	*			trans	166.4	99.5	138.3	-90.6	157.4	-174.5	-162.3	3.4	112.5
534	L	34.3	Very low	31.2	Very low	178 Å²	178	138.6 Å²	138.6	93%	0.932	77%	0.773	S	S	*	*				-169.8	156.1	113.3	-127.4	68.1	0	0	0	110.1
535	A	30.4	Very low	31.2	Very low	94 Å²	94	143.4 Å²	143.4	78%	0.777	79%	0.79	S	S	*	*			trans	-139	131	176.7	0	0	0	0	0	110.7
536	K	31.2	Very low	30.8	Very low	181 Å²	181	140.6 Å²	140.6	79%	0.787	79%	0.791	S	S	*	*			trans	-159.9	109.6	152.1	-126.5	168	-178.7	179.6	0	114.1
537	M	28.1	Very low	30.1	Very low	172 Å²	172	143.4 Å²	143.4	85%	0.847	80%	0.8	S	S	*	*			trans	43.7	125.1	131.1	-55.6	167.4	-174.6	0	0	119.7
538	G	28.5	Very low	29.9	Very low	73 Å²	73	139.3 Å²	139.3	75%	0.753	79%	0.79	S	S	*	*				132.3	110.2	97.8	0	0	0	0	0	119.6
539	A	29.7	Very low	30	Very low	109 Å²	109	141.4 Å²	141.4	90%	0.901	79%	0.786	S	S	*	*			trans	74.9	144.8	143.7	0	0	0	0	0	122.2
540	M	27.1	Very low	29.9	Very low	170 Å²	170	141.6 Å²	141.6	84%	0.837	78%	0.782	S	S	*	*			trans	-90.3	-173.8	167.1	-63.2	-82.5	-73.4	0	0	108.6
541	P	41.5	Very low	29.2	Very low	114 Å²	114	144.1 Å²	144.1	74%	0.74	78%	0.784	S	S	*	*			cis	-143.2	-169.3	9.8	39.5	-15.9	0	0	0	117.4
542	T	28.1	Very low	29.1	Very low	117 Å²	117	145.4 Å²	145.4	72%	0.718	78%	0.782	S	S	*	*			trans	-61.8	178.4	157.1	46.3	0	0	0	0	112
543	P	39.8	Very low	29.1	Very low	107 Å²	107	145.2 Å²	145.2	70%	0.695	78%	0.781	S	S	*	*			cis	-159.6	-175.5	32.3	47	-23.8	0	0	0	121.6
544	L	25.3	Very low	28.9	Very low	144 Å²	144	139.5 Å²	139.5	75%	0.754	78%	0.776	S	S	*	*			trans	55	137.5	141.7	-100.7	70.8	0	0	0	125.5
545	K	26.6	Very low	28.8	Very low	184 Å²	184	137 Å²	137	80%	0.8	77%	0.771	S	S	*	*			trans	38.9	158.8	130.5	-67.6	-179.5	178.2	-176.3	0	121.1
546	S	22.2	Very low	28.6	Very low	105 Å²	105	140.1 Å²	140.1	73%	0.734	77%	0.774	S	S	*	*			cis	-157	150	9.9	0.8	0	0	0	0	108.2
547	L	26.2	Very low	29.4	Very low	159 Å²	159	136.8 Å²	136.8	83%	0.832	77%	0.771	S	S	*	*				77.8	102.5	62.2	-159.9	175.2	0	0	0	114.8
548	E	24.1	Very low	30.3	Very low	140 Å²	140	133.6 Å²	133.6	65%	0.654	76%	0.763	S	S	*	*			trans	-174.1	129.8	146.5	-105.1	-176.1	157	0	0	110.9
549	R	28.1	Very low	30.2	Very low	203 Å²	203	136.8 Å²	136.8	77%	0.766	76%	0.758	S	S	*	*				70.7	143.3	97.5	-84.8	-161.5	-102.7	-117.5	1.3	116.5
550	H	28.9	Very low	30.3	Very low	154 Å²	154	140.1 Å²	140.1	71%	0.713	75%	0.747	S	S	*	*			cis	-170.5	-178.6	-19.4	-146.1	-108.6	0	0	0	109.6
551	E	27.3	Very low	30.4	Very low	161 Å²	161	137.6 Å²	137.6	75%	0.752	74%	0.737	S	S	*	*			trans	65.1	157.6	171.4	-37.7	-70.4	80.3	0	0	117.5
552	D	26	Very low	29.7	Very low	144 Å²	144	140 Å²	140	77%	0.77	74%	0.739	S	S	*	*			cis	-168.2	170.2	-39	-173.7	25.6	0	0	0	108.4
553	S	27.3	Very low	29.8	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	75%	0.75	S	S	*	*			trans	76	152.8	165.2	81	0	0	0	0	119.5
554	S	25.8	Very low	29.1	Very low	110 Å²	110	147.3 Å²	147.3	77%	0.769	76%	0.757	S	S	*	*			trans	-142.9	157.6	171.7	61.9	0	0	0	0	109.3
555	P	33.4	Very low	29.2	Very low	126 Å²	126	145.7 Å²	145.7	82%	0.818	76%	0.757	S	S	*	*				-147.4	169.4	103.3	38.5	-22.7	0	0	0	116.2
556	L	25.6	Very low	29.3	Very low	160 Å²	160	143.4 Å²	143.4	84%	0.838	76%	0.758	S	S	*	*			trans	-77.5	-179.8	165.5	-69.7	168.3	0	0	0	111.5
557	P	47.8	Very low	29.6	Very low	111 Å²	111	143.2 Å²	143.2	72%	0.721	76%	0.757	S	S	*	*			cis	-124.9	-134.7	-34.2	31	-6.9	0	0	0	107.2
558	P	46.6	Very low	30.5	Very low	105 Å²	105	141 Å²	141	68%	0.682	75%	0.752	S	S	*	*			cis	-136.7	-170	-16.8	29.7	-4	0	0	0	115.7
559	E	27.9	Very low	31.3	Very low	140 Å²	140	140.1 Å²	140.1	65%	0.654	76%	0.759	S	S	*	*			trans	78.2	138.9	158.4	-56.6	-147.2	128.4	0	0	117.5
560	R	30.1	Very low	31.3	Very low	179 Å²	179	134.9 Å²	134.9	68%	0.675	76%	0.758	S	S	*	*			cis	-155.7	162.4	1.1	-125.4	-179.6	-153.2	167.1	23.5	113.6
561	D	29.3	Very low	31.5	Very low	117 Å²	117	132.4 Å²	132.4	63%	0.626	77%	0.765	S	S	*	*			trans	42.3	108.3	143.1	-60.5	-7.1	0	0	0	119.2
562	E	26.9	Very low	31.9	Very low	165 Å²	165	129.8 Å²	129.8	77%	0.771	77%	0.77	S	S	*	*				82.9	118.3	81.1	-78.6	-148.2	129.2	0	0	114.4
563	T	29.9	Very low	32.3	Very low	155 Å²	155	129.6 Å²	129.6	95%	0.951	78%	0.775	S	S	*	*				-158.1	153.5	121.7	6.9	0	0	0	0	109.4
564	R	25.7	Very low	32.7	Very low	222 Å²	222	128.4 Å²	128.4	84%	0.838	77%	0.771	S	S	*	*			trans	-140.7	154.5	-163.1	-178	178.6	176.7	-174.7	-0.4	111.8
565	S	27.1	Very low	33.3	Very low	109 Å²	109	128.9 Å²	128.9	76%	0.762	77%	0.772	S	S	*	*			trans	73.2	153.3	177.8	81	0	0	0	0	114.3
566	V	29.4	Very low	33.5	Very low	136 Å²	136	134.3 Å²	134.3	82%	0.824	78%	0.776	S	S	*	*			cis	-126.8	165.1	18	-176.7	0	0	0	0	111.7
567	S	29.1	Very low	33.9	Very low	101 Å²	101	133 Å²	133	71%	0.706	77%	0.774	S	S	*	*			trans	-119.2	-171.9	-175.2	60.2	0	0	0	0	111.9
568	P	44.1	Very low	33.4	Very low	114 Å²	114	136.1 Å²	136.1	74%	0.74	78%	0.779	S	S	*	*			cis	-115.5	-145.9	-36.7	41.8	-25.6	0	0	0	107.8
569	P	42.3	Very low	33	Very low	121 Å²	121	137 Å²	137	79%	0.786	78%	0.782	S	S	*	*			cis	-120.1	-145.2	-23.9	44.7	-28.5	0	0	0	109.1
570	A	27.7	Very low	33.5	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	78%	0.782	S	S	*	*			cis	-153.6	141.5	-9.5	0	0	0	0	0	109.4
571	A	32.7	Very low	34	Very low	102 Å²	102	132.3 Å²	132.3	84%	0.843	79%	0.787	S	S	*	*			trans	-163.2	145.5	156.9	0	0	0	0	0	110
572	A	36.1	Very low	34.9	Very low	106 Å²	106	133.4 Å²	133.4	88%	0.876	79%	0.786	S	S	*	*			trans	-88.6	138.4	-178.5	0	0	0	0	0	112.4
573	V	34.5	Very low	35.8	Very low	141 Å²	141	131.6 Å²	131.6	86%	0.855	79%	0.786	S	S	*	*			trans	-129	130.9	165.5	-179.7	0	0	0	0	107.7
574	A	34.5	Very low	37	Very low	84 Å²	84	129.3 Å²	129.3	69%	0.694	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-66.4	148.2	-179.1	0	0	0	0	0	111.7	R576	A574-R576 PolarHBondContact O-N 2.91Å
575	P	38.8	Very low	38.5	Very low	121 Å²	121	122.1 Å²	122.1	79%	0.786	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-65.8	130.1	-179.4	27.2	-34.3	0	0	0	111.1	V577	P575-V577 PolarHBondContact O-N 2.74Å
576	R	36.9	Very low	40	Very low	239 Å²	239	125.3 Å²	125.3	90%	0.902	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-63.9	126.6	160.8	-75.7	-178.7	171.1	179.9	-3.7	108	A574 Q578	A574-R576 PolarHBondContact O-N 2.91Å; R576-Q578 PolarHBondContact O-N 2.83Å
577	V	35.2	Very low	41.7	Very low	133 Å²	133	119.5 Å²	119.5	81%	0.806	72%	0.717	S	S	*	*			trans	-65.1	107.3	169.6	178.1	0	0	0	0	108	P575 V579	P575-V577 PolarHBondContact O-N 2.74Å; V577-V579 PolarHBondContact O-N 2.78Å
578	Q	35.9	Very low	43.4	Very low	177 Å²	177	117 Å²	117	83%	0.827	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-74.9	117	164.2	-69.3	-177.9	-9.4	0	0	107.3	R576	R576-Q578 PolarHBondContact O-N 2.83Å
579	V	38.5	Very low	44.1	Very low	122 Å²	122	117.9 Å²	117.9	74%	0.739	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-66.8	127	168.8	-177	0	0	0	0	107.1	V577	V577-V579 PolarHBondContact O-N 2.78Å
580	P	39	Very low	45	Very low	101 Å²	101	119.5 Å²	119.5	66%	0.656	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-59.5	143.3	175.7	-22.5	33.4	0	0	0	110.6	K582	P580-K582 PolarHBondContact O-N 3.4Å; P580-K582 VanDerWaalsContact O-N 3.16Å
581	P	41	Very low	46.9	Very low	120 Å²	120	116.6 Å²	116.6	78%	0.779	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-60.4	122.6	171.4	26.5	-33	0	0	0	108.7	V583	P581-V583 PolarHBondContact O-N 3.28Å
582	K	47	Very low	48.5	Very low	140 Å²	140	115.3 Å²	115.3	61%	0.609	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-58.9	123.1	172.6	-73.3	-175	-179.3	-179.7	0	108.1	P580 P584 E636	P580-K582 PolarHBondContact O-N 3.4Å; P580-K582 VanDerWaalsContact O-N 3.16Å; K582-P584 WeakPolarHBondContact O-CD 3.12Å; K582-E636 WeakPolarHBondContact CD-OE1 3.11Å; K582-E636 IonicContact NZ-OE1 3.86Å; K582-E636 PolarHBondContact NZ-OE1 3.37Å
583	V	46.7	Very low	49.7	Very low	127 Å²	127	118.1 Å²	118.1	77%	0.77	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-68.1	121.5	171.6	179.1	0	0	0	0	106.9	P581 L585	P581-V583 PolarHBondContact O-N 3.28Å; V583-L585 PolarHBondContact O-N 2.93Å
584	P	54.1	Low	51.3	Low	107 Å²	107	116 Å²	116	70%	0.695	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-57.8	130.2	177.3	-24.4	34.6	0	0	0	110.1	K582 K586	K582-P584 WeakPolarHBondContact O-CD 3.12Å; P584-K586 PolarHBondContact O-N 2.92Å
585	L	58.6	Low	52.9	Low	71 Å²	71	113.9 Å²	113.9	37%	0.372	60%	0.599	S	S	.	*			trans	-65.9	107.8	172	-72.4	174.5	0	0	0	107.9	V583 M601 R603	V583-L585 PolarHBondContact O-N 2.93Å; L585-M601 HydrophobicContact CB-CE 4.05Å; L585-M601 WeakPolarHBondContact CB-O 3.48Å; L585-M601 VanDerWaalsContact O-O 3.09Å; L585-R603 HydrophobicContact CD1-CB 3.45Å; L585-R603 VanDerWaalsContact CD1-CB 3.45Å
586	K	57.8	Low	54.3	Low	176 Å²	176	109 Å²	109	77%	0.765	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-65.5	136.8	168.7	-65.5	-173.1	176.9	-173.8	0	108.2	P584 M601	P584-K586 PolarHBondContact O-N 2.92Å; K586-M601 VanDerWaalsContact O-CE 3.23Å; K586-M601 WeakPolarHBondContact O-CE 3.48Å
587	P	64.2	Low	55.4	Low	14 Å²	14	103 Å²	103	9%	0.091	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-54	158.5	165.4	26.5	-34.8	0	0	0	109.8	D591 Q592 L676	P587-D591 HydrophobicContact CB-CB 3.95Å; P587-Q592 HydrophobicContact CG-CB 4.2Å; P587-L676 HydrophobicContact CB-CD1 4.14Å
588	S	65.9	Low	57.2	Low	48 Å²	48	101.7 Å²	101.7	34%	0.336	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-62	159.7	173	73.5	0	0	0	0	110.3	E590 D591 Q592	S588-E590 PolarHBondContact O-N 3.43Å; S588-D591 WeakPolarHBondContact CB-OD2 3.41Å; S588-D591 PolarHBondContact N-OD2 3.19Å; S588-D591 PolarHBondContact O-N 2.91Å; S588-D591 WeakPolarHBondContact OG-CB 3.37Å; S588-D591 PolarHBondContact OG-N 3.46Å; S588-D591 PolarHBondContact OG-OD2 3.46Å; S588-Q592 WeakPolarHBondContact O-CB 3.28Å; S588-Q592 PolarHBondContact O-N 3.1Å
589	L	59.4	Low	59.4	Low	134 Å²	134	93.7 Å²	93.7	70%	0.702	52%	0.515	S	S	*	.	H	α-helix	trans	-60.4	-38.6	175.9	-68.2	172.3	0	0	0	110.6	Q592 E593	L589-Q592 PolarHBondContact O-N 2.82Å; L589-E593 WeakPolarHBondContact O-CB 3.49Å; L589-E593 WeakPolarHBondContact O-CG 3.41Å; L589-E593 PolarHBondContact O-N 3.11Å
590	E	61	Low	61.7	Low	154 Å²	154	90.9 Å²	90.9	72%	0.72	49%	0.494	S	S	*	.	H	α-helix	trans	-60.8	-47.9	173.9	-62.6	170.1	-170.7	0	0	111.8	S588 Q592 E593 V594	S588-E590 PolarHBondContact O-N 3.43Å; E590-Q592 VanDerWaalsContact C-N 3.33Å; E590-Q592 PolarHBondContact O-N 2.92Å; E590-E593 PolarHBondContact O-N 2.93Å; E590-V594 VanDerWaalsContact O-CB 3.31Å; E590-V594 WeakPolarHBondContact O-CB 3.45Å; E590-V594 VanDerWaalsContact O-CG2 3.22Å; E590-V594 WeakPolarHBondContact O-CG2 3.38Å; E590-V594 PolarHBondContact O-N 3.33Å
591	D	67.6	Low	64.1	Low	32 Å²	32	88 Å²	88	17%	0.171	47%	0.473	C	S	.	.	H	α-helix	trans	-60.6	-42.3	174.2	-67.9	-61.6	0	0	0	111.3	P587 S588 E593 V594 Y595 L676	P587-D591 HydrophobicContact CB-CB 3.95Å; S588-D591 WeakPolarHBondContact CB-OD2 3.41Å; S588-D591 PolarHBondContact N-OD2 3.19Å; S588-D591 PolarHBondContact O-N 2.91Å; S588-D591 WeakPolarHBondContact OG-CB 3.37Å; S588-D591 PolarHBondContact OG-N 3.46Å; S588-D591 PolarHBondContact OG-OD2 3.46Å; D591-E593 VanDerWaalsContact C-N 3.35Å; D591-E593 PolarHBondContact O-N 2.92Å; D591-V594 PolarHBondContact O-N 2.87Å; D591-Y595 HydrophobicContact CB-CD2 4Å; D591-Y595 HydrophobicContact CB-CE2 4.3Å; D591-Y595 WeakPolarHBondContact O-CB 3.39Å; D591-Y595 WeakPolarHBondContact O-CD2 3.39Å; D591-Y595 PolarHBondContact O-N 3.32Å; D591-Y595 WeakPolarHBondContact OD1-CE2 3.22Å; D591-L676 HydrophobicContact CB-CD2 4.48Å
592	Q	65.7	Low	66.5	Low	74 Å²	74	82.6 Å²	82.6	35%	0.346	44%	0.438	S	S	.	.	H	α-helix	trans	-71.7	-29.4	-176.9	-169	143.2	58.7	0	0	112.6	P587 S588 L589 E590 G596	P587-Q592 HydrophobicContact CG-CB 4.2Å; S588-Q592 WeakPolarHBondContact O-CB 3.28Å; S588-Q592 PolarHBondContact O-N 3.1Å; L589-Q592 PolarHBondContact O-N 2.82Å; E590-Q592 VanDerWaalsContact C-N 3.33Å; E590-Q592 PolarHBondContact O-N 2.92Å; Q592-G596 VanDerWaalsContact O-CA 3.29Å; Q592-G596 WeakPolarHBondContact O-CA 3.46Å; Q592-G596 PolarHBondContact O-N 3.45Å
593	E	60.9	Low	68.7	Low	165 Å²	165	81.6 Å²	81.6	77%	0.771	43%	0.43	S	S	*	.	H	α-helix	trans	-74.9	-39.2	170.6	-73.3	175.5	-168.6	0	0	112.4	L589 E590 D591	L589-E593 WeakPolarHBondContact O-CB 3.49Å; L589-E593 WeakPolarHBondContact O-CG 3.41Å; L589-E593 PolarHBondContact O-N 3.11Å; E590-E593 PolarHBondContact O-N 2.93Å; D591-E593 VanDerWaalsContact C-N 3.35Å; D591-E593 PolarHBondContact O-N 2.92Å
594	V	67.9	Low	70.9	Confident	98 Å²	98	75.9 Å²	75.9	59%	0.594	40%	0.395	S	S	*	.	H	α-helix	trans	-75.8	-37.8	-179.2	169.1	0	0	0	0	113.1	E590 D591	E590-V594 VanDerWaalsContact O-CB 3.31Å; E590-V594 WeakPolarHBondContact O-CB 3.45Å; E590-V594 VanDerWaalsContact O-CG2 3.22Å; E590-V594 WeakPolarHBondContact O-CG2 3.38Å; E590-V594 PolarHBondContact O-N 3.33Å; D591-V594 PolarHBondContact O-N 2.87Å
595	Y	68	Low	72.7	Confident	39 Å²	39	76.3 Å²	76.3	15%	0.153	39%	0.386	C	S	.	.	H	α-helix	trans	-107.5	-18	-173.3	-58.8	-68.9	0	0	0	114	D591 T599 V645 R653 L676 Q678	D591-Y595 HydrophobicContact CB-CD2 4Å; D591-Y595 HydrophobicContact CB-CE2 4.3Å; D591-Y595 WeakPolarHBondContact O-CB 3.39Å; D591-Y595 WeakPolarHBondContact O-CD2 3.39Å; D591-Y595 PolarHBondContact O-N 3.32Å; D591-Y595 WeakPolarHBondContact OD1-CE2 3.22Å; Y595-T599 VanDerWaalsContact CB-CG2 3.45Å; Y595-T599 HydrophobicContact CG-CG2 4.42Å; Y595-V645 HydrophobicContact CD1-CG1 3.69Å; Y595-V645 HydrophobicContact CE1-CG1 3.36Å; Y595-V645 HydrophobicContact CE2-CG1 4.43Å; Y595-V645 HydrophobicContact CG-CG1 4.34Å; Y595-R653 PolarHBondContact OH-NH2 3.2Å; Y595-L676 HydrophobicContact CD2-CD2 3.69Å; Y595-L676 HydrophobicContact CE2-CD2 3.67Å; Y595-L676 HydrophobicContact CG-CD2 4.44Å; Y595-Q678 PolarHBondContact O-NE2 2.79Å
596	G	69.2	Low	74.3	Confident	17 Å²	17	73.4 Å²	73.4	18%	0.175	37%	0.37	C	S	.	.			trans	88.6	-179.7	172.6	0	0	0	0	0	116	Q592 N598 T599	Q592-G596 VanDerWaalsContact O-CA 3.29Å; Q592-G596 WeakPolarHBondContact O-CA 3.46Å; Q592-G596 PolarHBondContact O-N 3.45Å; G596-N598 VanDerWaalsContact C-N 3.29Å; G596-N598 PolarHBondContact O-N 2.97Å; G596-T599 PolarHBondContact O-N 2.85Å; G596-T599 PolarHBondContact O-OG1 2.77Å
597	P	60.3	Low	75.9	Confident	115 Å²	115	67 Å²	67	75%	0.747	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.3	-154.8	24.6	-35.2	0	0	0	117.3
598	N	71.6	Confident	77.1	Confident	105 Å²	105	73 Å²	73	56%	0.561	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	25	-175.8	-69.1	0.4	0	0	0	113.8	G596 S679	G596-N598 VanDerWaalsContact C-N 3.29Å; G596-N598 PolarHBondContact O-N 2.97Å; N598-S679 PolarHBondContact O-N 3.25Å
599	T	84	Confident	78.2	Confident	9 Å²	9	73.6 Å²	73.6	6%	0.055	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	133.1	172.9	47	0	0	0	0	113	Y595 G596 L676 A677 Q678	Y595-T599 VanDerWaalsContact CB-CG2 3.45Å; Y595-T599 HydrophobicContact CG-CG2 4.42Å; G596-T599 PolarHBondContact O-N 2.85Å; G596-T599 PolarHBondContact O-OG1 2.77Å; T599-L676 HydrophobicContact CG2-CD1 4.45Å; T599-A677 CarbonylContact C-O 3.07Å; T599-A677 WeakPolarHBondContact CA-O 3.29Å; T599-Q678 HydrophobicContact CG2-CB 4.18Å; T599-Q678 HydrophobicContact CG2-CG 4.18Å
600	I	86.8	Confident	79.7	Confident	62 Å²	62	67.8 Å²	67.8	32%	0.318	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139	166.9	58.1	176.9	0	0	0	109.4	L638 A677	I600-L638 HydrophobicContact CD1-CD2 4Å; I600-A677 HydrophobicContact CG1-CB 4.1Å; I600-A677 PolarHBondContact N-O 2.87Å; I600-A677 PolarHBondContact O-N 3.35Å; I600-A677 VanDerWaalsContact O-O 3.14Å
601	M	89.1	Confident	81.2	Confident	41 Å²	41	60.8 Å²	60.8	20%	0.202	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.2	169	-173.9	168.9	67.1	0	0	108.3	L585 K586 T674 I675 L676	L585-M601 HydrophobicContact CB-CE 4.05Å; L585-M601 WeakPolarHBondContact CB-O 3.48Å; L585-M601 VanDerWaalsContact O-O 3.09Å; K586-M601 VanDerWaalsContact O-CE 3.23Å; K586-M601 WeakPolarHBondContact O-CE 3.48Å; M601-T674 HydrophobicContact CG-CG2 3.8Å; M601-T674 HydrophobicContact SD-CG2 3.93Å; M601-I675 WeakPolarHBondContact CA-O 3.4Å; M601-L676 HydrophobicContact CB-CD1 4.15Å
602	V	91.1	Very high	82.5	Confident	6 Å²	6	60.6 Å²	60.6	4%	0.036	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	153.6	178.9	-61.8	0	0	0	0	110.4	F604 E636 L638 T674 I675	V602-F604 HydrophobicContact CG2-CD1 4.23Å; V602-F604 HydrophobicContact CG2-CE1 4.08Å; V602-E636 HydrophobicContact CB-CB 3.64Å; V602-E636 HydrophobicContact CB-CG 4.37Å; V602-E636 HydrophobicContact CG1-CB 3.73Å; V602-E636 WeakPolarHBondContact CG1-O 3.13Å; V602-L638 HydrophobicContact CG1-CD2 4.2Å; V602-L638 HydrophobicContact CG1-CG 4.17Å; V602-L638 HydrophobicContact CG2-CD1 3.79Å; V602-L638 HydrophobicContact CG2-CD2 3.88Å; V602-L638 HydrophobicContact CG2-CG 3.76Å; V602-T674 CarbonylContact O-C 3.57Å; V602-T674 VanDerWaalsContact O-CA 3.27Å; V602-T674 WeakPolarHBondContact O-CA 3.48Å; V602-I675 HydrophobicContact CG2-CB 3.75Å; V602-I675 HydrophobicContact CG2-CG1 4.47Å; V602-I675 PolarHBondContact N-O 3.28Å; V602-I675 PolarHBondContact O-N 3.37Å
603	R	92.8	Very high	83.9	Confident	120 Å²	120	64.4 Å²	64.4	45%	0.453	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	122.4	168.8	-175.5	-178.7	-65.8	165.1	2	111.4	L585 D672 V673 T674	L585-R603 HydrophobicContact CD1-CB 3.45Å; L585-R603 VanDerWaalsContact CD1-CB 3.45Å; R603-D672 HydrophobicContact CG-CB 4.12Å; R603-V673 VanDerWaalsContact CA-O 3.28Å; R603-V673 WeakPolarHBondContact CA-O 3.38Å; R603-T674 PolarHBondContact NE-OG1 2.91Å
604	F	93.3	Very high	85.5	Confident	7 Å²	7	57.8 Å²	57.8	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151.3	178.1	57.6	-90.4	0	0	0	111.4	V602 V610 A632 A633 E636 L638 V673 I675	V602-F604 HydrophobicContact CG2-CD1 4.23Å; V602-F604 HydrophobicContact CG2-CE1 4.08Å; F604-V610 HydrophobicContact CE2-CB 4.18Å; F604-V610 HydrophobicContact CE2-CG1 4.29Å; F604-V610 HydrophobicContact CZ-CB 4.37Å; F604-A632 HydrophobicContact CB-CB 3.85Å; F604-A632 HydrophobicContact CD2-CB 4.06Å; F604-A632 HydrophobicContact CG-CB 4.19Å; F604-A633 HydrophobicContact CE1-CB 3.96Å; F604-A633 HydrophobicContact CE2-CB 4.3Å; F604-A633 HydrophobicContact CZ-CB 3.84Å; F604-E636 HydrophobicContact CB-CG 3.9Å; F604-E636 HydrophobicContact CD1-CG 4.24Å; F604-L638 HydrophobicContact CE1-CD1 4.08Å; F604-V673 HydrophobicContact CE2-CB 4.21Å; F604-V673 HydrophobicContact CE2-CG2 4.43Å; F604-V673 HydrophobicContact CZ-CB 4.3Å; F604-V673 HydrophobicContact CZ-CG1 4.49Å; F604-V673 PolarHBondContact N-O 2.92Å; F604-V673 PolarHBondContact O-N 3.03Å; F604-I675 HydrophobicContact CE1-CD1 3.96Å; F604-I675 HydrophobicContact CE1-CG1 4.32Å; F604-I675 HydrophobicContact CZ-CD1 3.87Å
605	K	92.2	Very high	86.7	Confident	115 Å²	115	53.9 Å²	53.9	50%	0.5	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.8	171.6	-70.7	-173.5	170.5	-64.5	0	110.8	G607 G670 E671 D672	K605-G607 PolarHBondContact O-N 2.93Å; K605-G670 WeakPolarHBondContact CD-O 3.2Å; K605-G670 PolarHBondContact NZ-O 2.91Å; K605-G670 VanDerWaalsContact NZ-O 3.07Å; K605-E671 CarbonylContact C-O 3.47Å; K605-E671 VanDerWaalsContact CA-O 3.28Å; K605-E671 WeakPolarHBondContact CA-O 3.16Å; K605-D672 WeakPolarHBondContact CE-OD2 3.25Å; K605-D672 WeakPolarHBondContact CG-OD1 3.48Å; K605-D672 IonicContact NZ-OD1 3.11Å; K605-D672 IonicContact NZ-OD2 3.41Å; K605-D672 PolarHBondContact NZ-OD2 3.3Å
606	K	92.5	Very high	88	Confident	11 Å²	11	52 Å²	52	5%	0.048	28%	0.279	C	S	.	.			trans	-65.7	125.6	175.4	-178.1	171.6	171.4	176.9	0	110.1	V610 L664 L665 I667 G670 E671 V673	K606-V610 HydrophobicContact CD-CG1 3.86Å; K606-V610 HydrophobicContact CG-CG1 3.96Å; K606-L664 PolarHBondContact NZ-O 3.28Å; K606-L665 VanDerWaalsContact NZ-C 3.34Å; K606-L665 PolarHBondContact NZ-O 3.32Å; K606-I667 HydrophobicContact CD-CB 3.97Å; K606-I667 HydrophobicContact CD-CG2 3.84Å; K606-I667 WeakPolarHBondContact CD-O 3.33Å; K606-I667 VanDerWaalsContact CE-O 3.28Å; K606-I667 WeakPolarHBondContact CE-O 3.29Å; K606-I667 PolarHBondContact NZ-O 3.48Å; K606-G670 PolarHBondContact O-N 3.11Å; K606-E671 PolarHBondContact N-O 3.12Å; K606-V673 HydrophobicContact CB-CG2 3.85Å
607	G	90.1	Very high	89.2	Confident	42 Å²	42	51.2 Å²	51.2	43%	0.433	27%	0.271	S	S	.	.			trans	-82.3	-137.9	172.8	0	0	0	0	0	111.5	K605 S609 K669	K605-G607 PolarHBondContact O-N 2.93Å; G607-S609 PolarHBondContact N-O 3.28Å; G607-S609 PolarHBondContact O-N 3.43Å; G607-K669 WeakPolarHBondContact O-CG 3.09Å
608	D	88.7	Confident	90.8	Very high	139 Å²	139	47.4 Å²	47.4	74%	0.743	24%	0.244	S	C	*	.	S	Bend	trans	-64.4	-26.8	167.8	-83.7	-46.9	0	0	0	112.9	K669	D608-K669 IonicContact OD1-NZ 2.7Å; D608-K669 PolarHBondContact OD1-NZ 2.71Å
609	S	90.5	Very high	91.8	Very high	61 Å²	61	45.1 Å²	45.1	43%	0.427	23%	0.232	S	C	.	.	S	Bend	trans	-145.3	178.5	169.2	83.1	0	0	0	0	110.2	G607 G611	G607-S609 PolarHBondContact N-O 3.28Å; G607-S609 PolarHBondContact O-N 3.43Å; S609-G611 VanDerWaalsContact C-N 3.33Å; S609-G611 PolarHBondContact OG-N 3.09Å
610	V	91.3	Very high	92.3	Very high	12 Å²	12	46.2 Å²	46.2	7%	0.073	24%	0.238	C	C	.	.			trans	-83.2	-5.1	169.7	-63.5	0	0	0	0	113.5	F604 K606 L612 A633 L664 V673	F604-V610 HydrophobicContact CE2-CB 4.18Å; F604-V610 HydrophobicContact CE2-CG1 4.29Å; F604-V610 HydrophobicContact CZ-CB 4.37Å; K606-V610 HydrophobicContact CD-CG1 3.86Å; K606-V610 HydrophobicContact CG-CG1 3.96Å; V610-L612 VanDerWaalsContact C-N 3.3Å; V610-L612 HydrophobicContact CG2-CB 4.08Å; V610-L612 HydrophobicContact CG2-CD1 4.4Å; V610-L612 HydrophobicContact CG2-CG 4.2Å; V610-L612 PolarHBondContact O-N 3.26Å; V610-A633 WeakPolarHBondContact O-CB 3.43Å; V610-L664 HydrophobicContact CG2-CB 4.27Å; V610-L664 HydrophobicContact CG2-CD1 4.31Å; V610-V673 HydrophobicContact CG1-CG2 4.43Å
611	G	92.2	Very high	92.6	Very high	6 Å²	6	43.5 Å²	43.5	6%	0.062	23%	0.226	C	C	.	.			trans	72.7	12.8	-180	0	0	0	0	0	115.6	S609 V627 Q628	S609-G611 VanDerWaalsContact C-N 3.33Å; S609-G611 PolarHBondContact OG-N 3.09Å; G611-V627 CarbonylContact O-C 3.46Å; G611-V627 WeakPolarHBondContact O-CA 3.26Å; G611-Q628 WeakPolarHBondContact O-CB 3.45Å; G611-Q628 PolarHBondContact O-N 3.38Å
612	L	94.9	Very high	93	Very high	28 Å²	28	41.5 Å²	41.5	15%	0.147	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.1	-175.3	-59.7	179.5	0	0	0	112.9	V610 I624 V627 A633 L638 I644 I675	V610-L612 VanDerWaalsContact C-N 3.3Å; V610-L612 HydrophobicContact CG2-CB 4.08Å; V610-L612 HydrophobicContact CG2-CD1 4.4Å; V610-L612 HydrophobicContact CG2-CG 4.2Å; V610-L612 PolarHBondContact O-N 3.26Å; L612-I624 HydrophobicContact CD1-CD1 4.3Å; L612-I624 HydrophobicContact CD2-CD1 4.02Å; L612-I624 HydrophobicContact CD2-CG1 4.46Å; L612-I624 HydrophobicContact CD2-CG2 4.14Å; L612-V627 HydrophobicContact CD2-CB 4.48Å; L612-V627 HydrophobicContact CD2-CG1 4.17Å; L612-V627 HydrophobicContact CD2-CG2 3.94Å; L612-A633 HydrophobicContact CD2-CB 3.89Å; L612-A633 HydrophobicContact CG-CB 4.31Å; L612-L638 HydrophobicContact CD1-CD1 4.17Å; L612-L638 HydrophobicContact CD2-CD1 4.3Å; L612-I644 HydrophobicContact CD1-CD1 4.3Å; L612-I675 HydrophobicContact CD1-CD1 3.95Å
613	R	93.5	Very high	93.2	Very high	154 Å²	154	41.2 Å²	41.2	58%	0.581	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.1	163.9	-65.7	178.3	173.7	167.2	-1	108.7	A625 G626	R613-A625 HydrophobicContact CB-CB 4.46Å; R613-A625 PolarHBondContact O-N 3.44Å; R613-G626 PolarHBondContact N-O 3.12Å
614	L	95	Very high	93.4	Very high	27 Å²	27	35.5 Å²	35.5	14%	0.141	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.4	-176.3	-59	-172.6	0	0	0	113.2	I622 F623 I644 A660 V661 L664	L614-I622 HydrophobicContact CB-CG2 4.43Å; L614-I622 HydrophobicContact CD1-CG2 3.82Å; L614-I622 HydrophobicContact CD2-CG2 3.91Å; L614-I622 HydrophobicContact CG-CG2 4.28Å; L614-F623 CarbonylContact C-O 3.51Å; L614-F623 WeakPolarHBondContact CA-O 3.31Å; L614-I644 HydrophobicContact CD2-CD1 3.68Å; L614-A660 HydrophobicContact CD1-CB 3.91Å; L614-V661 HydrophobicContact CB-CG2 4.44Å; L614-V661 HydrophobicContact CD1-CG2 3.92Å; L614-V661 HydrophobicContact CG-CG2 4.43Å; L614-L664 HydrophobicContact CD1-CD1 3.95Å; L614-L664 HydrophobicContact CD2-CD1 4.22Å; L614-L664 HydrophobicContact CG-CD1 4.39Å
615	A	93.8	Very high	93.4	Very high	15 Å²	15	36.8 Å²	36.8	12%	0.124	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	-174.6	166	0	0	0	0	0	110.3	F623 A625 Y684	A615-F623 PolarHBondContact N-O 3.13Å; A615-F623 PolarHBondContact O-N 2.79Å; A615-A625 HydrophobicContact CB-CB 3.71Å; A615-Y684 HydrophobicContact CB-CE2 4.25Å
616	G	94.1	Very high	93.5	Very high	1 Å²	1	32 Å²	32	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.4	-142.1	-171.5	0	0	0	0	0	111.6	G621 R657 G693	G616-G621 CarbonylContact C-O 3.29Å; G616-G621 WeakPolarHBondContact CA-O 3.43Å; G616-R657 VanDerWaalsContact O-CZ 3.26Å; G616-R657 PolarHBondContact O-NE 3.01Å; G616-R657 PolarHBondContact O-NH2 3.25Å; G616-G693 VanDerWaalsContact C-CA 3.43Å; G616-G693 CarbonylContact O-C 3.54Å; G616-G693 WeakPolarHBondContact O-CA 3.3Å
617	G	94.6	Very high	93.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.6	-166.6	-174.2	0	0	0	0	0	111.5	D619 V620 G621 M655 G693 D694	G617-D619 PolarHBondContact O-N 3.25Å; G617-D619 VanDerWaalsContact O-N 3.11Å; G617-V620 PolarHBondContact O-N 2.88Å; G617-G621 PolarHBondContact N-O 3.3Å; G617-G621 CarbonylContact O-C 3.49Å; G617-G621 WeakPolarHBondContact O-CA 3.15Å; G617-G621 PolarHBondContact O-N 2.99Å; G617-M655 CarbonylContact C-O 3.26Å; G617-G693 CarbonylContact C-O 3.58Å; G617-G693 WeakPolarHBondContact CA-O 3.34Å; G617-D694 WeakPolarHBondContact CA-OD1 3.19Å
618	N	94.6	Very high	93.8	Very high	34 Å²	34	36.4 Å²	36.4	18%	0.182	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.5	-170.5	81.9	-82.2	0	0	0	115.3	G654 M655 V656 G693 D694 S695 F696	N618-G654 VanDerWaalsContact CB-O 3.26Å; N618-G654 WeakPolarHBondContact CB-O 3.38Å; N618-M655 WeakPolarHBondContact CA-O 3.45Å; N618-M655 PolarHBondContact N-O 2.96Å; N618-V656 HydrophobicContact CB-CG1 3.8Å; N618-G693 PolarHBondContact N-O 3.43Å; N618-D694 PolarHBondContact N-OD1 2.79Å; N618-D694 VanDerWaalsContact N-OD1 3.12Å; N618-D694 VanDerWaalsContact OD1-CA 3.28Å; N618-D694 WeakPolarHBondContact OD1-CA 3.46Å; N618-S695 PolarHBondContact ND2-O 3.07Å; N618-S695 PolarHBondContact OD1-N 3.3Å; N618-F696 WeakPolarHBondContact OD1-CD1 3.19Å
619	D	93.8	Very high	93.9	Very high	58 Å²	58	37.4 Å²	37.4	31%	0.31	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-24	-178.1	-163.2	57.8	0	0	0	113.2	G617 R692 G693 S695	G617-D619 PolarHBondContact O-N 3.25Å; G617-D619 VanDerWaalsContact O-N 3.11Å; D619-R692 IonicContact OD1-NH2 2.96Å; D619-R692 IonicContact OD2-CZ 2.73Å; D619-R692 IonicContact OD2-NE 2.62Å; D619-R692 PolarHBondContact OD2-NE 3.42Å; D619-R692 IonicContact OD2-NH2 3.25Å; D619-R692 PolarHBondContact OD2-NH2 2.99Å; D619-G693 WeakPolarHBondContact CB-O 3.24Å; D619-G693 PolarHBondContact N-O 2.97Å; D619-S695 WeakPolarHBondContact OD1-CB 3.33Å; D619-S695 PolarHBondContact OD1-OG 2.85Å
620	V	93.4	Very high	93.8	Very high	31 Å²	31	41.3 Å²	41.3	19%	0.188	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-13.7	-166.7	-64.7	0	0	0	0	113.7	G617 F623 V687 R692	G617-V620 PolarHBondContact O-N 2.88Å; V620-F623 WeakPolarHBondContact O-CE2 2.91Å; V620-V687 HydrophobicContact CB-CG2 3.79Å; V620-V687 HydrophobicContact CG1-CG2 4.01Å; V620-V687 HydrophobicContact CG2-CG1 4.16Å; V620-V687 HydrophobicContact CG2-CG2 3.84Å; V620-R692 HydrophobicContact CG1-CB 4Å
621	G	93.8	Very high	93.8	Very high	5 Å²	5	41.5 Å²	41.5	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.7	162.6	-170.8	0	0	0	0	0	112.9	G616 G617 F623	G616-G621 CarbonylContact C-O 3.29Å; G616-G621 WeakPolarHBondContact CA-O 3.43Å; G617-G621 PolarHBondContact N-O 3.3Å; G617-G621 CarbonylContact O-C 3.49Å; G617-G621 WeakPolarHBondContact O-CA 3.15Å; G617-G621 PolarHBondContact O-N 2.99Å; G621-F623 WeakPolarHBondContact O-CD2 3.47Å
622	I	96.6	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	129.1	175.3	-59.4	-61.2	0	0	0	109.4	L614 Q643 I644 F652 A660	L614-I622 HydrophobicContact CB-CG2 4.43Å; L614-I622 HydrophobicContact CD1-CG2 3.82Å; L614-I622 HydrophobicContact CD2-CG2 3.91Å; L614-I622 HydrophobicContact CG-CG2 4.28Å; I622-Q643 CarbonylContact O-C 3.43Å; I622-Q643 WeakPolarHBondContact O-CA 3.24Å; I622-Q643 WeakPolarHBondContact O-CG 3.38Å; I622-I644 HydrophobicContact CB-CB 4.46Å; I622-I644 HydrophobicContact CG2-CB 4.27Å; I622-I644 HydrophobicContact CG2-CD1 4.27Å; I622-I644 PolarHBondContact O-N 2.69Å; I622-F652 HydrophobicContact CB-CD1 4.2Å; I622-F652 HydrophobicContact CG1-CD1 4.09Å; I622-F652 HydrophobicContact CG2-CD1 4.17Å; I622-A660 HydrophobicContact CD1-CB 3.68Å; I622-A660 HydrophobicContact CG1-CB 3.87Å; I622-A660 HydrophobicContact CG2-CB 4.37Å
623	F	96.1	Very high	93.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.7	179.5	-70.3	-97.2	0	0	0	112.1	L614 A615 V620 G621 A625 D642 Q643 K680 V683 Y684 V687	L614-F623 CarbonylContact C-O 3.51Å; L614-F623 WeakPolarHBondContact CA-O 3.31Å; A615-F623 PolarHBondContact N-O 3.13Å; A615-F623 PolarHBondContact O-N 2.79Å; V620-F623 WeakPolarHBondContact O-CE2 2.91Å; G621-F623 WeakPolarHBondContact O-CD2 3.47Å; F623-A625 PolarHBondContact O-N 2.91Å; F623-D642 WeakPolarHBondContact CA-O 2.92Å; F623-Q643 HydrophobicContact CD1-CB 3.93Å; F623-Q643 HydrophobicContact CD1-CG 4.41Å; F623-Q643 HydrophobicContact CE1-CB 3.74Å; F623-Q643 HydrophobicContact CE1-CG 4.16Å; F623-Q643 HydrophobicContact CE2-CG 4.37Å; F623-Q643 HydrophobicContact CZ-CB 4.2Å; F623-Q643 HydrophobicContact CZ-CG 4.13Å; F623-K680 HydrophobicContact CE1-CB 4.14Å; F623-V683 HydrophobicContact CE1-CB 4.47Å; F623-V683 HydrophobicContact CZ-CB 4.27Å; F623-V683 HydrophobicContact CZ-CG1 3.84Å; F623-Y684 HydrophobicContact CB-CD2 3.69Å; F623-Y684 HydrophobicContact CB-CE2 4.2Å; F623-Y684 HydrophobicContact CD1-CD2 4.12Å; F623-Y684 HydrophobicContact CD1-CG 4.4Å; F623-Y684 HydrophobicContact CG-CD2 4.01Å; F623-V687 HydrophobicContact CE2-CG2 4.24Å
624	I	96	Very high	93.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	111.7	169.4	-60.7	-179.4	0	0	0	108.5	L612 V627 L638 R639 T640 G641 D642 I644	L612-I624 HydrophobicContact CD1-CD1 4.3Å; L612-I624 HydrophobicContact CD2-CD1 4.02Å; L612-I624 HydrophobicContact CD2-CG1 4.46Å; L612-I624 HydrophobicContact CD2-CG2 4.14Å; I624-V627 HydrophobicContact CG2-CG2 3.63Å; I624-L638 HydrophobicContact CD1-CB 3.93Å; I624-L638 HydrophobicContact CD1-CD1 4.06Å; I624-L638 HydrophobicContact CD1-CD2 4.04Å; I624-L638 HydrophobicContact CD1-CG 4.24Å; I624-R639 WeakPolarHBondContact CB-O 3.28Å; I624-R639 WeakPolarHBondContact CG2-O 3.15Å; I624-T640 WeakPolarHBondContact O-CA 3.29Å; I624-G641 PolarHBondContact O-N 2.94Å; I624-D642 HydrophobicContact CD1-CB 4.27Å; I624-D642 PolarHBondContact N-O 2.7Å; I624-I644 HydrophobicContact CD1-CD1 4.5Å; I624-I644 HydrophobicContact CD1-CG1 4.29Å; I624-I644 HydrophobicContact CG1-CD1 4.01Å; I624-I644 HydrophobicContact CG1-CG1 3.9Å
625	A	94	Very high	93.2	Very high	34 Å²	34	43.7 Å²	43.7	28%	0.281	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-9.5	178.8	0	0	0	0	0	113.7	R613 A615 F623 Y684	R613-A625 HydrophobicContact CB-CB 4.46Å; R613-A625 PolarHBondContact O-N 3.44Å; A615-A625 HydrophobicContact CB-CB 3.71Å; F623-A625 PolarHBondContact O-N 2.91Å; A625-Y684 VanDerWaalsContact CA-OH 3.31Å; A625-Y684 WeakPolarHBondContact CA-OH 3.45Å; A625-Y684 HydrophobicContact CB-CE2 4.39Å
626	G	93.7	Very high	93	Very high	13 Å²	13	45.3 Å²	45.3	13%	0.134	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.6	143.6	177.6	0	0	0	0	0	110.5	R613	R613-G626 PolarHBondContact N-O 3.12Å
627	V	94.9	Very high	92.6	Very high	32 Å²	32	46.6 Å²	46.6	19%	0.194	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	147.1	172.1	-170	0	0	0	0	108.1	G611 L612 I624 A633 E634	G611-V627 CarbonylContact O-C 3.46Å; G611-V627 WeakPolarHBondContact O-CA 3.26Å; L612-V627 HydrophobicContact CD2-CB 4.48Å; L612-V627 HydrophobicContact CD2-CG1 4.17Å; L612-V627 HydrophobicContact CD2-CG2 3.94Å; I624-V627 HydrophobicContact CG2-CG2 3.63Å; V627-A633 HydrophobicContact CG1-CB 4.28Å; V627-E634 HydrophobicContact CG1-CB 3.72Å; V627-E634 HydrophobicContact CG1-CG 4.48Å
628	Q	93.9	Very high	92.5	Very high	114 Å²	114	46.7 Å²	46.7	53%	0.533	26%	0.257	S	S	.	.			trans	-79.6	128.9	174.3	178.8	175.9	-3	0	0	109.7	G611 S631	G611-Q628 WeakPolarHBondContact O-CB 3.45Å; G611-Q628 PolarHBondContact O-N 3.38Å; Q628-S631 WeakPolarHBondContact O-CB 3.2Å; Q628-S631 PolarHBondContact O-N 3.1Å; Q628-S631 VanDerWaalsContact O-N 3.12Å; Q628-S631 PolarHBondContact O-OG 2.74Å
629	E	91	Very high	92.5	Very high	161 Å²	161	53.6 Å²	53.6	75%	0.752	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	140.9	174.3	-64.1	172.3	177.5	0	0	111.2	S631 E634	E629-S631 PolarHBondContact O-N 3.08Å; E629-S631 VanDerWaalsContact O-N 3.11Å; E629-E634 WeakPolarHBondContact CA-OE2 3.19Å
630	D	88.1	Confident	92.5	Very high	142 Å²	142	54.4 Å²	54.4	76%	0.759	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	3.2	-175	-68.8	-44.4	0	0	0	115.4	E634 Q635	D630-E634 PolarHBondContact N-OE2 3.07Å; D630-Q635 PolarHBondContact O-NE2 3.39Å
631	S	92	Very high	92.4	Very high	16 Å²	16	53 Å²	53	11%	0.112	28%	0.279	C	S	.	.			trans	-71.3	153.6	-178.4	72.7	0	0	0	0	113.3	Q628 E629 A633 E634 Q635	Q628-S631 WeakPolarHBondContact O-CB 3.2Å; Q628-S631 PolarHBondContact O-N 3.1Å; Q628-S631 VanDerWaalsContact O-N 3.12Å; Q628-S631 PolarHBondContact O-OG 2.74Å; E629-S631 PolarHBondContact O-N 3.08Å; E629-S631 VanDerWaalsContact O-N 3.11Å; S631-A633 PolarHBondContact O-N 3.49Å; S631-E634 WeakPolarHBondContact O-CB 3.24Å; S631-E634 PolarHBondContact O-N 3.43Å; S631-E634 PolarHBondContact OG-N 2.86Å; S631-Q635 WeakPolarHBondContact O-CG 3.39Å; S631-Q635 PolarHBondContact O-N 2.81Å
632	A	90.3	Very high	92.5	Very high	38 Å²	38	52.9 Å²	52.9	31%	0.314	28%	0.277	S	S	.	.	H	α-helix	trans	-62.3	-26	177.6	0	0	0	0	0	113	F604 E636	F604-A632 HydrophobicContact CB-CB 3.85Å; F604-A632 HydrophobicContact CD2-CB 4.06Å; F604-A632 HydrophobicContact CG-CB 4.19Å; A632-E636 PolarHBondContact O-N 2.88Å
633	A	90.9	Very high	92.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-67.6	-40.6	172.6	0	0	0	0	0	112.7	F604 V610 L612 V627 S631 G637 L638	F604-A633 HydrophobicContact CE1-CB 3.96Å; F604-A633 HydrophobicContact CE2-CB 4.3Å; F604-A633 HydrophobicContact CZ-CB 3.84Å; V610-A633 WeakPolarHBondContact O-CB 3.43Å; L612-A633 HydrophobicContact CD2-CB 3.89Å; L612-A633 HydrophobicContact CG-CB 4.31Å; V627-A633 HydrophobicContact CG1-CB 4.28Å; S631-A633 PolarHBondContact O-N 3.49Å; A633-G637 PolarHBondContact O-N 2.65Å; A633-L638 HydrophobicContact CB-CD1 4.11Å; A633-L638 WeakPolarHBondContact O-CB 3.46Å; A633-L638 PolarHBondContact O-N 2.9Å; A633-L638 VanDerWaalsContact O-N 3.14Å
634	E	91.5	Very high	92.4	Very high	87 Å²	87	53.9 Å²	53.9	41%	0.407	28%	0.282	S	S	.	.	H	α-helix	trans	-66.5	-41.6	174.3	-170.9	175.2	-136	0	0	111.3	V627 E629 D630 S631 E636 G637	V627-E634 HydrophobicContact CG1-CB 3.72Å; V627-E634 HydrophobicContact CG1-CG 4.48Å; E629-E634 WeakPolarHBondContact CA-OE2 3.19Å; D630-E634 PolarHBondContact N-OE2 3.07Å; S631-E634 WeakPolarHBondContact O-CB 3.24Å; S631-E634 PolarHBondContact O-N 3.43Å; S631-E634 PolarHBondContact OG-N 2.86Å; E634-E636 VanDerWaalsContact C-N 3.33Å; E634-E636 PolarHBondContact O-N 3.23Å; E634-G637 WeakPolarHBondContact O-CA 3.41Å; E634-G637 PolarHBondContact O-N 2.87Å
635	Q	90	Very high	92.2	Very high	135 Å²	135	54 Å²	54	63%	0.631	28%	0.283	S	S	*	.	H	α-helix	trans	-65.1	-31.2	-178.7	-67.6	176.5	31.3	0	0	113.6	D630 S631 G637	D630-Q635 PolarHBondContact O-NE2 3.39Å; S631-Q635 WeakPolarHBondContact O-CG 3.39Å; S631-Q635 PolarHBondContact O-N 2.81Å; Q635-G637 VanDerWaalsContact C-N 3.3Å
636	E	89	Confident	92.2	Very high	49 Å²	49	55.7 Å²	55.7	23%	0.229	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.4	170.1	-58.8	-55.7	132.5	0	0	113.4	K582 V602 F604 A632 E634	K582-E636 WeakPolarHBondContact CD-OE1 3.11Å; K582-E636 IonicContact NZ-OE1 3.86Å; K582-E636 PolarHBondContact NZ-OE1 3.37Å; V602-E636 HydrophobicContact CB-CB 3.64Å; V602-E636 HydrophobicContact CB-CG 4.37Å; V602-E636 HydrophobicContact CG1-CB 3.73Å; V602-E636 WeakPolarHBondContact CG1-O 3.13Å; F604-E636 HydrophobicContact CB-CG 3.9Å; F604-E636 HydrophobicContact CD1-CG 4.24Å; A632-E636 PolarHBondContact O-N 2.88Å; E634-E636 VanDerWaalsContact C-N 3.33Å; E634-E636 PolarHBondContact O-N 3.23Å
637	G	87.3	Confident	92.2	Very high	28 Å²	28	55 Å²	55	29%	0.289	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.9	14.2	169.4	0	0	0	0	0	117.1	A633 E634 Q635	A633-G637 PolarHBondContact O-N 2.65Å; E634-G637 WeakPolarHBondContact O-CA 3.41Å; E634-G637 PolarHBondContact O-N 2.87Å; Q635-G637 VanDerWaalsContact C-N 3.3Å
638	L	92.8	Very high	92.1	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.016	28%	0.281	C	S	.	.			trans	-65.7	144	170	-69	177	0	0	0	111.3	I600 V602 F604 L612 I624 A633 I675 A677	I600-L638 HydrophobicContact CD1-CD2 4Å; V602-L638 HydrophobicContact CG1-CD2 4.2Å; V602-L638 HydrophobicContact CG1-CG 4.17Å; V602-L638 HydrophobicContact CG2-CD1 3.79Å; V602-L638 HydrophobicContact CG2-CD2 3.88Å; V602-L638 HydrophobicContact CG2-CG 3.76Å; F604-L638 HydrophobicContact CE1-CD1 4.08Å; L612-L638 HydrophobicContact CD1-CD1 4.17Å; L612-L638 HydrophobicContact CD2-CD1 4.3Å; I624-L638 HydrophobicContact CD1-CB 3.93Å; I624-L638 HydrophobicContact CD1-CD1 4.06Å; I624-L638 HydrophobicContact CD1-CD2 4.04Å; I624-L638 HydrophobicContact CD1-CG 4.24Å; A633-L638 HydrophobicContact CB-CD1 4.11Å; A633-L638 WeakPolarHBondContact O-CB 3.46Å; A633-L638 PolarHBondContact O-N 2.9Å; A633-L638 VanDerWaalsContact O-N 3.14Å; L638-I675 HydrophobicContact CD1-CD1 4.06Å; L638-A677 HydrophobicContact CD2-CB 3.8Å
639	R	92.6	Very high	91.8	Very high	178 Å²	178	55.5 Å²	55.5	67%	0.672	29%	0.29	S	S	*	.			trans	-136.9	160.3	-175.5	-61.5	-178.7	-177.7	-148.8	-6.1	112.9	I624 G641 D642	I624-R639 WeakPolarHBondContact CB-O 3.28Å; I624-R639 WeakPolarHBondContact CG2-O 3.15Å; R639-G641 PolarHBondContact O-N 3.41Å; R639-D642 PolarHBondContact N-OD2 2.82Å; R639-D642 WeakPolarHBondContact O-CB 3.41Å; R639-D642 PolarHBondContact O-N 3.48Å
640	T	94.4	Very high	91.9	Very high	76 Å²	76	50.1 Å²	50.1	47%	0.466	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	131.4	167.8	-52.3	0	0	0	0	110.2	I624 Y684	I624-T640 WeakPolarHBondContact O-CA 3.29Å; T640-Y684 HydrophobicContact CG2-CE1 3.77Å
641	G	92.1	Very high	92.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.01	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	-3.7	-175.9	0	0	0	0	0	115.1	I624 R639 K680	I624-G641 PolarHBondContact O-N 2.94Å; R639-G641 PolarHBondContact O-N 3.41Å; G641-K680 CarbonylContact O-C 3.41Å; G641-K680 VanDerWaalsContact O-C 3.29Å; G641-K680 PolarHBondContact O-N 2.67Å; G641-K680 VanDerWaalsContact O-N 3.17Å
642	D	94.6	Very high	92.3	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.8	169.7	-62.9	-26.1	0	0	0	110.6	F623 I624 R639 A677 S679	F623-D642 WeakPolarHBondContact CA-O 2.92Å; I624-D642 HydrophobicContact CD1-CB 4.27Å; I624-D642 PolarHBondContact N-O 2.7Å; R639-D642 PolarHBondContact N-OD2 2.82Å; R639-D642 WeakPolarHBondContact O-CB 3.41Å; R639-D642 PolarHBondContact O-N 3.48Å; D642-A677 HydrophobicContact CB-CB 4.27Å; D642-S679 VanDerWaalsContact OD1-CA 3.27Å; D642-S679 WeakPolarHBondContact OD1-CA 3.37Å; D642-S679 WeakPolarHBondContact OD1-CB 3.14Å; D642-S679 PolarHBondContact OD1-OG 3.35Å
643	Q	95.1	Very high	92.1	Very high	21 Å²	21	49.7 Å²	49.7	10%	0.098	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125	171.3	-171	-174.1	-4.5	0	0	109.3	I622 F623 V645 A677 Q678 K680	I622-Q643 CarbonylContact O-C 3.43Å; I622-Q643 WeakPolarHBondContact O-CA 3.24Å; I622-Q643 WeakPolarHBondContact O-CG 3.38Å; F623-Q643 HydrophobicContact CD1-CB 3.93Å; F623-Q643 HydrophobicContact CD1-CG 4.41Å; F623-Q643 HydrophobicContact CE1-CB 3.74Å; F623-Q643 HydrophobicContact CE1-CG 4.16Å; F623-Q643 HydrophobicContact CE2-CG 4.37Å; F623-Q643 HydrophobicContact CZ-CB 4.2Å; F623-Q643 HydrophobicContact CZ-CG 4.13Å; Q643-V645 PolarHBondContact O-N 2.9Å; Q643-A677 CarbonylContact O-C 3.2Å; Q643-A677 WeakPolarHBondContact O-CA 3.43Å; Q643-A677 WeakPolarHBondContact O-CB 3.11Å; Q643-Q678 PolarHBondContact N-O 3.09Å; Q643-Q678 PolarHBondContact O-N 3.29Å; Q643-K680 HydrophobicContact CB-CD 4.5Å
644	I	95.2	Very high	92	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.1	169.5	-59.3	-178.5	0	0	0	108	L612 L614 I622 I624 V647 F652 I675	L612-I644 HydrophobicContact CD1-CD1 4.3Å; L614-I644 HydrophobicContact CD2-CD1 3.68Å; I622-I644 HydrophobicContact CB-CB 4.46Å; I622-I644 HydrophobicContact CG2-CB 4.27Å; I622-I644 HydrophobicContact CG2-CD1 4.27Å; I622-I644 PolarHBondContact O-N 2.69Å; I624-I644 HydrophobicContact CD1-CD1 4.5Å; I624-I644 HydrophobicContact CD1-CG1 4.29Å; I624-I644 HydrophobicContact CG1-CD1 4.01Å; I624-I644 HydrophobicContact CG1-CG1 3.9Å; I644-V647 HydrophobicContact CG2-CG2 3.61Å; I644-F652 HydrophobicContact CB-CD1 4.27Å; I644-F652 HydrophobicContact CG2-CB 4.02Å; I644-F652 HydrophobicContact CG2-CD1 3.6Å; I644-F652 HydrophobicContact CG2-CE1 4.25Å; I644-F652 HydrophobicContact CG2-CG 3.84Å; I644-I675 HydrophobicContact CG1-CG2 4.48Å; I644-I675 HydrophobicContact CG2-CG2 4.08Å
645	V	93.6	Very high	92.1	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-45.2	179.5	179.8	0	0	0	0	110.4	Y595 Q643 D651 F652 R653 L676 Q678	Y595-V645 HydrophobicContact CD1-CG1 3.69Å; Y595-V645 HydrophobicContact CE1-CG1 3.36Å; Y595-V645 HydrophobicContact CE2-CG1 4.43Å; Y595-V645 HydrophobicContact CG-CG1 4.34Å; Q643-V645 PolarHBondContact O-N 2.9Å; V645-D651 VanDerWaalsContact O-OD1 3.07Å; V645-F652 PolarHBondContact O-N 3.45Å; V645-R653 HydrophobicContact CG1-CG 4.32Å; V645-L676 HydrophobicContact CB-CD2 4.3Å; V645-L676 HydrophobicContact CB-CG 4.32Å; V645-L676 HydrophobicContact CG1-CD2 4.09Å; V645-L676 PolarHBondContact N-O 2.94Å; V645-Q678 HydrophobicContact CG2-CB 4.01Å
646	K	93.8	Very high	92.3	Very high	69 Å²	69	43.1 Å²	43.1	30%	0.3	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	142	-177.1	-168.1	179.9	179	175.3	0	110.2	N648 S649 V650 L676	K646-N648 WeakPolarHBondContact CE-O 3.26Å; K646-S649 VanDerWaalsContact CE-O 3.32Å; K646-S649 WeakPolarHBondContact CE-O 3.39Å; K646-V650 CarbonylContact C-O 3.54Å; K646-V650 WeakPolarHBondContact CA-O 3.22Å; K646-V650 VanDerWaalsContact CG-O 3.28Å; K646-V650 WeakPolarHBondContact CG-O 3.25Å; K646-L676 HydrophobicContact CB-CB 4Å; K646-L676 HydrophobicContact CB-CD2 4.42Å; K646-L676 PolarHBondContact N-O 3.34Å; K646-L676 PolarHBondContact O-N 2.86Å
647	V	94	Very high	92.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.4	170.8	-176	0	0	0	0	108.6	I644 S649 V650 F652 Y663 L664 I667 V673 T674 I675	I644-V647 HydrophobicContact CG2-CG2 3.61Å; V647-S649 PolarHBondContact O-N 3.46Å; V647-S649 VanDerWaalsContact O-N 3.08Å; V647-V650 PolarHBondContact N-O 2.85Å; V647-V650 PolarHBondContact O-N 3.3Å; V647-F652 HydrophobicContact CB-CD2 4.19Å; V647-F652 HydrophobicContact CB-CE2 3.63Å; V647-F652 HydrophobicContact CB-CZ 3.95Å; V647-F652 HydrophobicContact CG2-CD1 4.2Å; V647-F652 HydrophobicContact CG2-CD2 3.9Å; V647-F652 HydrophobicContact CG2-CE1 3.85Å; V647-F652 HydrophobicContact CG2-CE2 3.54Å; V647-F652 HydrophobicContact CG2-CG 4.24Å; V647-F652 HydrophobicContact CG2-CZ 3.53Å; V647-Y663 HydrophobicContact CB-CD1 4.43Å; V647-Y663 HydrophobicContact CB-CE1 4Å; V647-Y663 HydrophobicContact CG1-CD1 4.35Å; V647-Y663 HydrophobicContact CG1-CE1 3.82Å; V647-L664 HydrophobicContact CG1-CD2 3.96Å; V647-L664 HydrophobicContact CG2-CD2 4.18Å; V647-I667 HydrophobicContact CG1-CD1 4.16Å; V647-V673 HydrophobicContact CG1-CG1 3.75Å; V647-T674 WeakPolarHBondContact CA-O 3.47Å; V647-I675 HydrophobicContact CG1-CG1 4.25Å; V647-I675 HydrophobicContact CG2-CG1 4.28Å; V647-I675 HydrophobicContact CG2-CG2 4.4Å
648	N	91.3	Very high	93	Very high	50 Å²	50	41.2 Å²	41.2	27%	0.267	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-111.1	-169	-60.7	-20.4	0	0	0	110.2	K646 V673 T674	K646-N648 WeakPolarHBondContact CE-O 3.26Å; N648-V673 WeakPolarHBondContact OD1-CA 3.37Å; N648-T674 PolarHBondContact N-O 3.07Å; N648-T674 PolarHBondContact OD1-N 3.36Å; N648-T674 PolarHBondContact OD1-O 3.15Å
649	S	89	Confident	93.1	Very high	106 Å²	106	44.8 Å²	44.8	74%	0.741	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-11.8	175.6	-57.4	0	0	0	0	113.9	K646 V647	K646-S649 VanDerWaalsContact CE-O 3.32Å; K646-S649 WeakPolarHBondContact CE-O 3.39Å; V647-S649 PolarHBondContact O-N 3.46Å; V647-S649 VanDerWaalsContact O-N 3.08Å
650	V	93.2	Very high	93.3	Very high	48 Å²	48	36.3 Å²	36.3	29%	0.291	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.9	-168.9	176.5	0	0	0	0	111.5	K646 V647 F652 M655 Y663	K646-V650 CarbonylContact C-O 3.54Å; K646-V650 WeakPolarHBondContact CA-O 3.22Å; K646-V650 VanDerWaalsContact CG-O 3.28Å; K646-V650 WeakPolarHBondContact CG-O 3.25Å; V647-V650 PolarHBondContact N-O 2.85Å; V647-V650 PolarHBondContact O-N 3.3Å; V650-F652 HydrophobicContact CG1-CD2 4.42Å; V650-F652 HydrophobicContact CG1-CE2 4.25Å; V650-M655 HydrophobicContact CG1-CE 3.64Å; V650-Y663 HydrophobicContact CB-CE1 4.46Å; V650-Y663 HydrophobicContact CB-CE2 4.12Å; V650-Y663 HydrophobicContact CG1-CE2 4.38Å; V650-Y663 HydrophobicContact CG2-CE2 3.66Å; V650-Y663 WeakPolarHBondContact CG2-OH 3.24Å
651	D	92.3	Very high	93.3	Very high	61 Å²	61	34.6 Å²	34.6	33%	0.326	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.4	175.8	-159.8	-24.5	0	0	0	111.3	V645 R653 M655	V645-D651 VanDerWaalsContact O-OD1 3.07Å; D651-R653 WeakPolarHBondContact OD1-CB 3.47Å; D651-R653 WeakPolarHBondContact OD1-CG 3.43Å; D651-R653 PolarHBondContact OD1-N 3.28Å; D651-R653 IonicContact OD1-NE 3.96Å; D651-R653 PolarHBondContact OD1-NE 3.39Å; D651-R653 VanDerWaalsContact OD1-NE 3.09Å; D651-R653 IonicContact OD2-CZ 3.11Å; D651-R653 IonicContact OD2-NE 2.77Å; D651-R653 PolarHBondContact OD2-NE 3Å; D651-R653 IonicContact OD2-NH2 3.58Å; D651-R653 PolarHBondContact OD2-NH2 3.12Å; D651-M655 WeakPolarHBondContact O-CE 3.47Å
652	F	94.7	Very high	93.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.			trans	-105.9	-4.2	178.4	-87.3	-131.1	0	0	0	112.2	I622 I644 V645 V647 V650 G654 M655 A660 Y663 L664	I622-F652 HydrophobicContact CB-CD1 4.2Å; I622-F652 HydrophobicContact CG1-CD1 4.09Å; I622-F652 HydrophobicContact CG2-CD1 4.17Å; I644-F652 HydrophobicContact CB-CD1 4.27Å; I644-F652 HydrophobicContact CG2-CB 4.02Å; I644-F652 HydrophobicContact CG2-CD1 3.6Å; I644-F652 HydrophobicContact CG2-CE1 4.25Å; I644-F652 HydrophobicContact CG2-CG 3.84Å; V645-F652 PolarHBondContact O-N 3.45Å; V647-F652 HydrophobicContact CB-CD2 4.19Å; V647-F652 HydrophobicContact CB-CE2 3.63Å; V647-F652 HydrophobicContact CB-CZ 3.95Å; V647-F652 HydrophobicContact CG2-CD1 4.2Å; V647-F652 HydrophobicContact CG2-CD2 3.9Å; V647-F652 HydrophobicContact CG2-CE1 3.85Å; V647-F652 HydrophobicContact CG2-CE2 3.54Å; V647-F652 HydrophobicContact CG2-CG 4.24Å; V647-F652 HydrophobicContact CG2-CZ 3.53Å; V650-F652 HydrophobicContact CG1-CD2 4.42Å; V650-F652 HydrophobicContact CG1-CE2 4.25Å; F652-G654 PolarHBondContact O-N 3.28Å; F652-M655 HydrophobicContact CD1-SD 4.29Å; F652-M655 HydrophobicContact CD2-CE 4.01Å; F652-M655 HydrophobicContact CD2-SD 4.11Å; F652-M655 HydrophobicContact CE1-SD 4.18Å; F652-M655 HydrophobicContact CE2-CE 3.96Å; F652-M655 HydrophobicContact CE2-SD 3.97Å; F652-M655 HydrophobicContact CG-SD 4.26Å; F652-M655 HydrophobicContact CZ-SD 3.99Å; F652-M655 PolarHBondContact O-N 2.83Å; F652-A660 HydrophobicContact CD1-CB 4.1Å; F652-A660 HydrophobicContact CE1-CB 3.75Å; F652-Y663 AromaticContact CE2-CD1 3.82Å; F652-Y663 HydrophobicContact CE2-CD1 3.82Å; F652-Y663 HydrophobicContact CE2-CE1 4.24Å; F652-Y663 HydrophobicContact CE2-CG 4.33Å; F652-Y663 AromaticContact CZ-CD1 3.68Å; F652-Y663 HydrophobicContact CZ-CD1 3.68Å; F652-Y663 HydrophobicContact CZ-CE1 4.46Å; F652-Y663 HydrophobicContact CZ-CG 4.21Å; F652-L664 HydrophobicContact CE1-CG 4.44Å; F652-L664 HydrophobicContact CZ-CG 4.41Å
653	R	87.1	Confident	93.4	Very high	126 Å²	126	40.4 Å²	40.4	48%	0.475	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	116.9	170.9	-59.8	177.2	-65.9	172.5	1.1	109.1	Y595 V645 D651 M655	Y595-R653 PolarHBondContact OH-NH2 3.2Å; V645-R653 HydrophobicContact CG1-CG 4.32Å; D651-R653 WeakPolarHBondContact OD1-CB 3.47Å; D651-R653 WeakPolarHBondContact OD1-CG 3.43Å; D651-R653 PolarHBondContact OD1-N 3.28Å; D651-R653 IonicContact OD1-NE 3.96Å; D651-R653 PolarHBondContact OD1-NE 3.39Å; D651-R653 VanDerWaalsContact OD1-NE 3.09Å; D651-R653 IonicContact OD2-CZ 3.11Å; D651-R653 IonicContact OD2-NE 2.77Å; D651-R653 PolarHBondContact OD2-NE 3Å; D651-R653 IonicContact OD2-NH2 3.58Å; D651-R653 PolarHBondContact OD2-NH2 3.12Å; R653-M655 VanDerWaalsContact C-N 3.31Å; R653-M655 PolarHBondContact O-N 2.96Å
654	G	88.2	Confident	93.4	Very high	47 Å²	47	39.9 Å²	39.9	49%	0.485	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	2.1	-178	0	0	0	0	0	115.4	N618 F652	N618-G654 VanDerWaalsContact CB-O 3.26Å; N618-G654 WeakPolarHBondContact CB-O 3.38Å; F652-G654 PolarHBondContact O-N 3.28Å
655	M	93.2	Very high	93.3	Very high	35 Å²	35	45.1 Å²	45.1	17%	0.172	24%	0.242	C	C	.	.			trans	-71.3	140.6	169.9	-169.5	175	-74.7	0	0	110.4	G617 N618 V650 D651 F652 R653 D659 A660	G617-M655 CarbonylContact C-O 3.26Å; N618-M655 WeakPolarHBondContact CA-O 3.45Å; N618-M655 PolarHBondContact N-O 2.96Å; V650-M655 HydrophobicContact CG1-CE 3.64Å; D651-M655 WeakPolarHBondContact O-CE 3.47Å; F652-M655 HydrophobicContact CD1-SD 4.29Å; F652-M655 HydrophobicContact CD2-CE 4.01Å; F652-M655 HydrophobicContact CD2-SD 4.11Å; F652-M655 HydrophobicContact CE1-SD 4.18Å; F652-M655 HydrophobicContact CE2-CE 3.96Å; F652-M655 HydrophobicContact CE2-SD 3.97Å; F652-M655 HydrophobicContact CG-SD 4.26Å; F652-M655 HydrophobicContact CZ-SD 3.99Å; F652-M655 PolarHBondContact O-N 2.83Å; R653-M655 VanDerWaalsContact C-N 3.31Å; R653-M655 PolarHBondContact O-N 2.96Å; M655-D659 HydrophobicContact CG-CB 3.87Å; M655-D659 HydrophobicContact SD-CB 4.32Å; M655-A660 HydrophobicContact CG-CB 4.13Å; M655-A660 WeakPolarHBondContact SD-CA 3.4Å; M655-A660 HydrophobicContact SD-CB 3.74Å
656	V	95.6	Very high	93.3	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	27%	0.273	C	S	.	.			trans	-78.3	155.4	174.4	-64.3	0	0	0	0	111.2	N618 E658 D659 A660 D694 F696 T725	N618-V656 HydrophobicContact CB-CG1 3.8Å; V656-E658 VanDerWaalsContact C-N 3.33Å; V656-E658 PolarHBondContact O-N 2.9Å; V656-D659 HydrophobicContact CG2-CB 3.79Å; V656-D659 VanDerWaalsContact CG2-OD2 3.24Å; V656-D659 WeakPolarHBondContact CG2-OD2 3.09Å; V656-D659 PolarHBondContact O-N 2.91Å; V656-A660 PolarHBondContact O-N 2.8Å; V656-D694 VanDerWaalsContact CA-OD1 3.24Å; V656-D694 WeakPolarHBondContact CA-OD1 3.22Å; V656-D694 WeakPolarHBondContact CB-OD1 3.36Å; V656-F696 HydrophobicContact CG1-CD1 3.89Å; V656-F696 HydrophobicContact CG1-CE1 3.55Å; V656-F696 HydrophobicContact CG1-CZ 4.36Å; V656-T725 HydrophobicContact CB-CG2 4Å; V656-T725 HydrophobicContact CG1-CG2 4.37Å; V656-T725 HydrophobicContact CG2-CG2 4.32Å
657	R	95.6	Very high	93.3	Very high	30 Å²	30	48.2 Å²	48.2	11%	0.113	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-37.4	-173.9	-159.1	-169	-58.6	151.8	4	113.8	G616 V661 D694 D724 T725	G616-R657 VanDerWaalsContact O-CZ 3.26Å; G616-R657 PolarHBondContact O-NE 3.01Å; G616-R657 PolarHBondContact O-NH2 3.25Å; R657-V661 WeakPolarHBondContact O-CG2 3.14Å; R657-V661 PolarHBondContact O-N 2.97Å; R657-V661 VanDerWaalsContact O-N 3.12Å; R657-D694 PolarHBondContact N-OD1 3.13Å; R657-D724 IonicContact CZ-OD1 3.51Å; R657-D724 IonicContact CZ-OD2 3.17Å; R657-D724 IonicContact NH1-OD1 2.71Å; R657-D724 PolarHBondContact NH1-OD1 3.29Å; R657-D724 IonicContact NH1-OD2 2.72Å; R657-D724 PolarHBondContact NH1-OD2 2.96Å; R657-D724 IonicContact NH2-OD2 3.71Å; R657-D724 PolarHBondContact NH2-OD2 3.13Å; R657-T725 PolarHBondContact N-OG1 3.12Å
658	E	95.6	Very high	93.2	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-62.1	-53	175.6	177.3	163.1	-126.5	0	0	111.7	V656 A660 V661 L662 T725 L731 W734 N755	V656-E658 VanDerWaalsContact C-N 3.33Å; V656-E658 PolarHBondContact O-N 2.9Å; E658-A660 VanDerWaalsContact C-N 3.29Å; E658-A660 PolarHBondContact O-N 3.5Å; E658-V661 PolarHBondContact O-N 3.04Å; E658-V661 VanDerWaalsContact O-N 3.11Å; E658-L662 HydrophobicContact CG-CD1 3.91Å; E658-L662 HydrophobicContact CG-CG 4.43Å; E658-L662 WeakPolarHBondContact O-CG 3.46Å; E658-L662 PolarHBondContact O-N 2.99Å; E658-T725 PolarHBondContact N-OG1 3.21Å; E658-L731 HydrophobicContact CG-CD2 3.7Å; E658-W734 PolarHBondContact OE2-NE1 3.11Å; E658-N755 PolarHBondContact OE1-ND2 2.81Å
659	D	94.8	Very high	93.3	Very high	77 Å²	77	55.4 Å²	55.4	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-59.5	-39.2	179.9	-65.7	-8.2	0	0	0	111.6	M655 V656 L662 Y663	M655-D659 HydrophobicContact CG-CB 3.87Å; M655-D659 HydrophobicContact SD-CB 4.32Å; V656-D659 HydrophobicContact CG2-CB 3.79Å; V656-D659 VanDerWaalsContact CG2-OD2 3.24Å; V656-D659 WeakPolarHBondContact CG2-OD2 3.09Å; V656-D659 PolarHBondContact O-N 2.91Å; D659-L662 PolarHBondContact O-N 2.86Å; D659-Y663 WeakPolarHBondContact O-CB 3.48Å; D659-Y663 PolarHBondContact O-N 2.83Å
660	A	95.5	Very high	93.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-36.7	176.4	0	0	0	0	0	113.4	L614 I622 F652 M655 V656 E658 L664	L614-A660 HydrophobicContact CD1-CB 3.91Å; I622-A660 HydrophobicContact CD1-CB 3.68Å; I622-A660 HydrophobicContact CG1-CB 3.87Å; I622-A660 HydrophobicContact CG2-CB 4.37Å; F652-A660 HydrophobicContact CD1-CB 4.1Å; F652-A660 HydrophobicContact CE1-CB 3.75Å; M655-A660 HydrophobicContact CG-CB 4.13Å; M655-A660 WeakPolarHBondContact SD-CA 3.4Å; M655-A660 HydrophobicContact SD-CB 3.74Å; V656-A660 PolarHBondContact O-N 2.8Å; E658-A660 VanDerWaalsContact C-N 3.29Å; E658-A660 PolarHBondContact O-N 3.5Å; A660-L664 WeakPolarHBondContact O-CG 3.48Å; A660-L664 PolarHBondContact O-N 3Å
661	V	95.1	Very high	93.3	Very high	41 Å²	41	54.8 Å²	54.8	25%	0.248	29%	0.29	C	S	.	.	H	α-helix	trans	-70.7	-40.9	174	167.8	0	0	0	0	111.2	L614 R657 E658 L665 L726	L614-V661 HydrophobicContact CB-CG2 4.44Å; L614-V661 HydrophobicContact CD1-CG2 3.92Å; L614-V661 HydrophobicContact CG-CG2 4.43Å; R657-V661 WeakPolarHBondContact O-CG2 3.14Å; R657-V661 PolarHBondContact O-N 2.97Å; R657-V661 VanDerWaalsContact O-N 3.12Å; E658-V661 PolarHBondContact O-N 3.04Å; E658-V661 VanDerWaalsContact O-N 3.11Å; V661-L665 WeakPolarHBondContact O-CB 3.34Å; V661-L665 PolarHBondContact O-N 3.19Å; V661-L726 HydrophobicContact CG2-CD2 4.06Å
662	L	94.1	Very high	93.3	Very high	57 Å²	57	55.5 Å²	55.5	30%	0.298	29%	0.294	S	S	.	.	H	α-helix	trans	-64.5	-46.9	177.3	-68.8	172.7	0	0	0	111.3	E658 D659 L664 L665 D666 L731	E658-L662 HydrophobicContact CG-CD1 3.91Å; E658-L662 HydrophobicContact CG-CG 4.43Å; E658-L662 WeakPolarHBondContact O-CG 3.46Å; E658-L662 PolarHBondContact O-N 2.99Å; D659-L662 PolarHBondContact O-N 2.86Å; L662-L664 PolarHBondContact O-N 3.29Å; L662-L665 WeakPolarHBondContact O-CA 3.14Å; L662-L665 WeakPolarHBondContact O-CB 3.22Å; L662-L665 PolarHBondContact O-N 2.91Å; L662-D666 PolarHBondContact O-N 3.06Å; L662-L731 HydrophobicContact CD2-CD1 4.01Å; L662-L731 HydrophobicContact CD2-CD2 4.21Å; L662-L731 HydrophobicContact CG-CD2 4.34Å
663	Y	95	Very high	93.3	Very high	68 Å²	68	55.5 Å²	55.5	27%	0.267	29%	0.294	S	S	.	.	H	α-helix	trans	-57.1	-47.5	176.9	-172	-90.7	0	0	0	112.2	V647 V650 F652 D659 L665 D666 I667	V647-Y663 HydrophobicContact CB-CD1 4.43Å; V647-Y663 HydrophobicContact CB-CE1 4Å; V647-Y663 HydrophobicContact CG1-CD1 4.35Å; V647-Y663 HydrophobicContact CG1-CE1 3.82Å; V650-Y663 HydrophobicContact CB-CE1 4.46Å; V650-Y663 HydrophobicContact CB-CE2 4.12Å; V650-Y663 HydrophobicContact CG1-CE2 4.38Å; V650-Y663 HydrophobicContact CG2-CE2 3.66Å; V650-Y663 WeakPolarHBondContact CG2-OH 3.24Å; F652-Y663 AromaticContact CE2-CD1 3.82Å; F652-Y663 HydrophobicContact CE2-CD1 3.82Å; F652-Y663 HydrophobicContact CE2-CE1 4.24Å; F652-Y663 HydrophobicContact CE2-CG 4.33Å; F652-Y663 AromaticContact CZ-CD1 3.68Å; F652-Y663 HydrophobicContact CZ-CD1 3.68Å; F652-Y663 HydrophobicContact CZ-CE1 4.46Å; F652-Y663 HydrophobicContact CZ-CG 4.21Å; D659-Y663 WeakPolarHBondContact O-CB 3.48Å; D659-Y663 PolarHBondContact O-N 2.83Å; Y663-L665 PolarHBondContact O-N 3.44Å; Y663-D666 PolarHBondContact O-N 2.86Å; Y663-I667 HydrophobicContact CD1-CD1 4.25Å; Y663-I667 HydrophobicContact CE1-CD1 4.01Å; Y663-I667 HydrophobicContact CE1-CG1 4.34Å; Y663-I667 WeakPolarHBondContact O-CG1 2.94Å; Y663-I667 PolarHBondContact O-N 3.3Å
664	L	94	Very high	93.6	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.058	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-22.9	176.6	-70.4	-178.4	0	0	0	113.6	K606 V610 L614 V647 F652 A660 L662 I667	K606-L664 PolarHBondContact NZ-O 3.28Å; V610-L664 HydrophobicContact CG2-CB 4.27Å; V610-L664 HydrophobicContact CG2-CD1 4.31Å; L614-L664 HydrophobicContact CD1-CD1 3.95Å; L614-L664 HydrophobicContact CD2-CD1 4.22Å; L614-L664 HydrophobicContact CG-CD1 4.39Å; V647-L664 HydrophobicContact CG1-CD2 3.96Å; V647-L664 HydrophobicContact CG2-CD2 4.18Å; F652-L664 HydrophobicContact CE1-CG 4.44Å; F652-L664 HydrophobicContact CZ-CG 4.41Å; A660-L664 WeakPolarHBondContact O-CG 3.48Å; A660-L664 PolarHBondContact O-N 3Å; L662-L664 PolarHBondContact O-N 3.29Å; L664-I667 HydrophobicContact CD2-CD1 4.18Å
665	L	93.2	Very high	93.9	Very high	110 Å²	110	48.5 Å²	48.5	58%	0.576	26%	0.256	S	S	*	.	H	α-helix	trans	-77.4	-42.6	174.3	-176.3	62.8	0	0	0	111.8	K606 V661 L662 Y663	K606-L665 VanDerWaalsContact NZ-C 3.34Å; K606-L665 PolarHBondContact NZ-O 3.32Å; V661-L665 WeakPolarHBondContact O-CB 3.34Å; V661-L665 PolarHBondContact O-N 3.19Å; L662-L665 WeakPolarHBondContact O-CA 3.14Å; L662-L665 WeakPolarHBondContact O-CB 3.22Å; L662-L665 PolarHBondContact O-N 2.91Å; Y663-L665 PolarHBondContact O-N 3.44Å
666	D	93.9	Very high	93.9	Very high	121 Å²	121	47.1 Å²	47.1	65%	0.647	25%	0.25	S	C	*	.	H	α-helix	trans	-75.8	-23	-171.2	-71	-13.4	0	0	0	114.3	L662 Y663 P668	L662-D666 PolarHBondContact O-N 3.06Å; Y663-D666 PolarHBondContact O-N 2.86Å; D666-P668 WeakPolarHBondContact O-CD 3.06Å
667	I	93.1	Very high	93.8	Very high	14 Å²	14	47 Å²	47	7%	0.072	25%	0.249	C	C	.	.	S	Bend	trans	-51.2	127.6	172	-65.8	164.9	0	0	0	110.2	K606 V647 Y663 L664 V673	K606-I667 HydrophobicContact CD-CB 3.97Å; K606-I667 HydrophobicContact CD-CG2 3.84Å; K606-I667 WeakPolarHBondContact CD-O 3.33Å; K606-I667 VanDerWaalsContact CE-O 3.28Å; K606-I667 WeakPolarHBondContact CE-O 3.29Å; K606-I667 PolarHBondContact NZ-O 3.48Å; V647-I667 HydrophobicContact CG1-CD1 4.16Å; Y663-I667 HydrophobicContact CD1-CD1 4.25Å; Y663-I667 HydrophobicContact CE1-CD1 4.01Å; Y663-I667 HydrophobicContact CE1-CG1 4.34Å; Y663-I667 WeakPolarHBondContact O-CG1 2.94Å; Y663-I667 PolarHBondContact O-N 3.3Å; L664-I667 HydrophobicContact CD2-CD1 4.18Å; I667-V673 HydrophobicContact CD1-CG1 4.15Å; I667-V673 HydrophobicContact CD1-CG2 4.31Å; I667-V673 HydrophobicContact CG2-CG2 3.98Å
668	P	92.9	Very high	93.7	Very high	65 Å²	65	47 Å²	47	42%	0.422	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-60.3	156.3	178.3	-27.9	36.8	0	0	0	114.9	D666 E671	D666-P668 WeakPolarHBondContact O-CD 3.06Å; P668-E671 HydrophobicContact CB-CG 4.12Å; P668-E671 WeakPolarHBondContact CB-OE1 3.28Å; P668-E671 WeakPolarHBondContact CD-OE2 3.22Å; P668-E671 VanDerWaalsContact CG-OE1 3.27Å; P668-E671 WeakPolarHBondContact CG-OE1 3.46Å
669	K	93.8	Very high	93.5	Very high	137 Å²	137	49.1 Å²	49.1	60%	0.596	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	135.2	177.4	-59	-172.5	178.8	179.8	0	110.5	G607 D608	G607-K669 WeakPolarHBondContact O-CG 3.09Å; D608-K669 IonicContact OD1-NZ 2.7Å; D608-K669 PolarHBondContact OD1-NZ 2.71Å
670	G	89.2	Confident	93.3	Very high	40 Å²	40	48.4 Å²	48.4	41%	0.412	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-13.6	-178.3	0	0	0	0	0	115.1	K605 K606	K605-G670 WeakPolarHBondContact CD-O 3.2Å; K605-G670 PolarHBondContact NZ-O 2.91Å; K605-G670 VanDerWaalsContact NZ-O 3.07Å; K606-G670 PolarHBondContact O-N 3.11Å
671	E	92.9	Very high	93.1	Very high	100 Å²	100	51.7 Å²	51.7	47%	0.467	28%	0.28	S	S	.	.	S	Bend	trans	-73.6	151.7	172.9	-73.1	-176.6	-164.2	0	0	112.2	K605 K606 P668	K605-E671 CarbonylContact C-O 3.47Å; K605-E671 VanDerWaalsContact CA-O 3.28Å; K605-E671 WeakPolarHBondContact CA-O 3.16Å; K606-E671 PolarHBondContact N-O 3.12Å; P668-E671 HydrophobicContact CB-CG 4.12Å; P668-E671 WeakPolarHBondContact CB-OE1 3.28Å; P668-E671 WeakPolarHBondContact CD-OE2 3.22Å; P668-E671 VanDerWaalsContact CG-OE1 3.27Å; P668-E671 WeakPolarHBondContact CG-OE1 3.46Å
672	D	91.7	Very high	92.9	Very high	77 Å²	77	57.5 Å²	57.5	41%	0.412	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	115.9	177.4	-72.1	-75.4	0	0	0	111.2	R603 K605	R603-D672 HydrophobicContact CG-CB 4.12Å; K605-D672 WeakPolarHBondContact CE-OD2 3.25Å; K605-D672 WeakPolarHBondContact CG-OD1 3.48Å; K605-D672 IonicContact NZ-OD1 3.11Å; K605-D672 IonicContact NZ-OD2 3.41Å; K605-D672 PolarHBondContact NZ-OD2 3.3Å
673	V	94.3	Very high	92.8	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.5	171.8	-167.6	0	0	0	0	108.3	R603 F604 K606 V610 V647 N648 I667 I675	R603-V673 VanDerWaalsContact CA-O 3.28Å; R603-V673 WeakPolarHBondContact CA-O 3.38Å; F604-V673 HydrophobicContact CE2-CB 4.21Å; F604-V673 HydrophobicContact CE2-CG2 4.43Å; F604-V673 HydrophobicContact CZ-CB 4.3Å; F604-V673 HydrophobicContact CZ-CG1 4.49Å; F604-V673 PolarHBondContact N-O 2.92Å; F604-V673 PolarHBondContact O-N 3.03Å; K606-V673 HydrophobicContact CB-CG2 3.85Å; V610-V673 HydrophobicContact CG1-CG2 4.43Å; V647-V673 HydrophobicContact CG1-CG1 3.75Å; N648-V673 WeakPolarHBondContact OD1-CA 3.37Å; I667-V673 HydrophobicContact CD1-CG1 4.15Å; I667-V673 HydrophobicContact CD1-CG2 4.31Å; I667-V673 HydrophobicContact CG2-CG2 3.98Å; V673-I675 HydrophobicContact CG1-CD1 4.12Å; V673-I675 HydrophobicContact CG1-CG1 3.8Å
674	T	94.1	Very high	92.8	Very high	25 Å²	25	56 Å²	56	15%	0.153	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.1	168.2	-54	0	0	0	0	108.4	M601 V602 R603 V647 N648	M601-T674 HydrophobicContact CG-CG2 3.8Å; M601-T674 HydrophobicContact SD-CG2 3.93Å; V602-T674 CarbonylContact O-C 3.57Å; V602-T674 VanDerWaalsContact O-CA 3.27Å; V602-T674 WeakPolarHBondContact O-CA 3.48Å; R603-T674 PolarHBondContact NE-OG1 2.91Å; V647-T674 WeakPolarHBondContact CA-O 3.47Å; N648-T674 PolarHBondContact N-O 3.07Å; N648-T674 PolarHBondContact OD1-N 3.36Å; N648-T674 PolarHBondContact OD1-O 3.15Å
675	I	94.8	Very high	92.7	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.6	177	-55.2	-173.2	0	0	0	109	M601 V602 F604 L612 L638 I644 V647 V673 A677	M601-I675 WeakPolarHBondContact CA-O 3.4Å; V602-I675 HydrophobicContact CG2-CB 3.75Å; V602-I675 HydrophobicContact CG2-CG1 4.47Å; V602-I675 PolarHBondContact N-O 3.28Å; V602-I675 PolarHBondContact O-N 3.37Å; F604-I675 HydrophobicContact CE1-CD1 3.96Å; F604-I675 HydrophobicContact CE1-CG1 4.32Å; F604-I675 HydrophobicContact CZ-CD1 3.87Å; L612-I675 HydrophobicContact CD1-CD1 3.95Å; L638-I675 HydrophobicContact CD1-CD1 4.06Å; I644-I675 HydrophobicContact CG1-CG2 4.48Å; I644-I675 HydrophobicContact CG2-CG2 4.08Å; V647-I675 HydrophobicContact CG1-CG1 4.25Å; V647-I675 HydrophobicContact CG2-CG1 4.28Å; V647-I675 HydrophobicContact CG2-CG2 4.4Å; V673-I675 HydrophobicContact CG1-CD1 4.12Å; V673-I675 HydrophobicContact CG1-CG1 3.8Å; I675-A677 HydrophobicContact CG2-CB 4.4Å
676	L	93.1	Very high	92.7	Very high	7 Å²	7	62.3 Å²	62.3	4%	0.037	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118.3	164.3	-175.4	69.2	0	0	0	107.7	P587 D591 Y595 T599 M601 V645 K646	P587-L676 HydrophobicContact CB-CD1 4.14Å; D591-L676 HydrophobicContact CB-CD2 4.48Å; Y595-L676 HydrophobicContact CD2-CD2 3.69Å; Y595-L676 HydrophobicContact CE2-CD2 3.67Å; Y595-L676 HydrophobicContact CG-CD2 4.44Å; T599-L676 HydrophobicContact CG2-CD1 4.45Å; M601-L676 HydrophobicContact CB-CD1 4.15Å; V645-L676 HydrophobicContact CB-CD2 4.3Å; V645-L676 HydrophobicContact CB-CG 4.32Å; V645-L676 HydrophobicContact CG1-CD2 4.09Å; V645-L676 PolarHBondContact N-O 2.94Å; K646-L676 HydrophobicContact CB-CB 4Å; K646-L676 HydrophobicContact CB-CD2 4.42Å; K646-L676 PolarHBondContact N-O 3.34Å; K646-L676 PolarHBondContact O-N 2.86Å
677	A	93.7	Very high	92.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.4	178.6	0	0	0	0	0	111.1	T599 I600 L638 D642 Q643 I675	T599-A677 CarbonylContact C-O 3.07Å; T599-A677 WeakPolarHBondContact CA-O 3.29Å; I600-A677 HydrophobicContact CG1-CB 4.1Å; I600-A677 PolarHBondContact N-O 2.87Å; I600-A677 PolarHBondContact O-N 3.35Å; I600-A677 VanDerWaalsContact O-O 3.14Å; L638-A677 HydrophobicContact CD2-CB 3.8Å; D642-A677 HydrophobicContact CB-CB 4.27Å; Q643-A677 CarbonylContact O-C 3.2Å; Q643-A677 WeakPolarHBondContact O-CA 3.43Å; Q643-A677 WeakPolarHBondContact O-CB 3.11Å; I675-A677 HydrophobicContact CG2-CB 4.4Å
678	Q	92.3	Very high	92.4	Very high	28 Å²	28	61 Å²	61	13%	0.131	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	121.6	179.4	-170.1	175.3	27.9	0	0	109.9	Y595 T599 Q643 V645 K680	Y595-Q678 PolarHBondContact O-NE2 2.79Å; T599-Q678 HydrophobicContact CG2-CB 4.18Å; T599-Q678 HydrophobicContact CG2-CG 4.18Å; Q643-Q678 PolarHBondContact N-O 3.09Å; Q643-Q678 PolarHBondContact O-N 3.29Å; V645-Q678 HydrophobicContact CG2-CB 4.01Å; Q678-K680 HydrophobicContact CG-CG 4.47Å; Q678-K680 PolarHBondContact O-N 2.58Å
679	S	92.1	Very high	92.3	Very high	53 Å²	53	62.1 Å²	62.1	37%	0.371	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	118.7	-175.9	-152.2	0	0	0	0	111.3	N598 D642	N598-S679 PolarHBondContact O-N 3.25Å; D642-S679 VanDerWaalsContact OD1-CA 3.27Å; D642-S679 WeakPolarHBondContact OD1-CA 3.37Å; D642-S679 WeakPolarHBondContact OD1-CB 3.14Å; D642-S679 PolarHBondContact OD1-OG 3.35Å
680	K	91.2	Very high	92	Very high	63 Å²	63	59 Å²	59	27%	0.274	34%	0.335	S	S	.	.			trans	-142.5	60	-177.2	-70.6	-178.2	-175	156.6	0	111.5	F623 G641 Q643 Q678 E682 V683 Y684	F623-K680 HydrophobicContact CE1-CB 4.14Å; G641-K680 CarbonylContact O-C 3.41Å; G641-K680 VanDerWaalsContact O-C 3.29Å; G641-K680 PolarHBondContact O-N 2.67Å; G641-K680 VanDerWaalsContact O-N 3.17Å; Q643-K680 HydrophobicContact CB-CD 4.5Å; Q678-K680 HydrophobicContact CG-CG 4.47Å; Q678-K680 PolarHBondContact O-N 2.58Å; K680-E682 VanDerWaalsContact C-N 3.32Å; K680-E682 PolarHBondContact O-N 3.3Å; K680-V683 HydrophobicContact CB-CB 4.23Å; K680-V683 HydrophobicContact CB-CG2 4.26Å; K680-V683 HydrophobicContact CD-CG2 4.5Å; K680-V683 PolarHBondContact O-N 3.06Å; K680-Y684 PolarHBondContact O-N 2.9Å
681	P	90.4	Very high	91.7	Very high	68 Å²	68	60.2 Å²	60.2	44%	0.442	35%	0.348	S	S	.	.	H	α-helix	trans	-59	-39.7	-176	24	-34.2	0	0	0	113.1	V683 Y684 E685	P681-V683 PolarHBondContact O-N 2.88Å; P681-Y684 WeakPolarHBondContact O-CB 3.42Å; P681-Y684 PolarHBondContact O-N 3.26Å; P681-E685 PolarHBondContact O-N 3.12Å
682	E	91.2	Very high	91.4	Very high	164 Å²	164	61.6 Å²	61.6	77%	0.766	35%	0.348	S	S	*	.	H	α-helix	trans	-59.6	-46.7	178.6	-61.2	174.9	177.4	0	0	112	K680 Y684 E685 D686	K680-E682 VanDerWaalsContact C-N 3.32Å; K680-E682 PolarHBondContact O-N 3.3Å; E682-Y684 VanDerWaalsContact C-N 3.32Å; E682-Y684 PolarHBondContact O-N 3.47Å; E682-E685 PolarHBondContact O-N 2.87Å; E682-D686 PolarHBondContact O-N 3.27Å; E682-D686 VanDerWaalsContact O-N 3.1Å
683	V	92.1	Very high	91.3	Very high	68 Å²	68	57.9 Å²	57.9	41%	0.412	33%	0.329	S	S	.	.	H	α-helix	trans	-67.2	-35.8	177.7	-173.8	0	0	0	0	110.9	F623 K680 P681 D686 V687	F623-V683 HydrophobicContact CE1-CB 4.47Å; F623-V683 HydrophobicContact CZ-CB 4.27Å; F623-V683 HydrophobicContact CZ-CG1 3.84Å; K680-V683 HydrophobicContact CB-CB 4.23Å; K680-V683 HydrophobicContact CB-CG2 4.26Å; K680-V683 HydrophobicContact CD-CG2 4.5Å; K680-V683 PolarHBondContact O-N 3.06Å; P681-V683 PolarHBondContact O-N 2.88Å; V683-D686 PolarHBondContact O-N 3.01Å; V683-V687 WeakPolarHBondContact O-CB 3.48Å; V683-V687 VanDerWaalsContact O-CG2 3.24Å; V683-V687 WeakPolarHBondContact O-CG2 3.48Å; V683-V687 PolarHBondContact O-N 2.97Å
684	Y	93.8	Very high	91.3	Very high	26 Å²	26	58.1 Å²	58.1	10%	0.102	33%	0.33	C	S	.	.	H	α-helix	trans	-65.3	-40.9	175.5	172.5	-108.1	0	0	0	112.4	A615 F623 A625 T640 K680 P681 E682 V687 L688	A615-Y684 HydrophobicContact CB-CE2 4.25Å; F623-Y684 HydrophobicContact CB-CD2 3.69Å; F623-Y684 HydrophobicContact CB-CE2 4.2Å; F623-Y684 HydrophobicContact CD1-CD2 4.12Å; F623-Y684 HydrophobicContact CD1-CG 4.4Å; F623-Y684 HydrophobicContact CG-CD2 4.01Å; A625-Y684 VanDerWaalsContact CA-OH 3.31Å; A625-Y684 WeakPolarHBondContact CA-OH 3.45Å; A625-Y684 HydrophobicContact CB-CE2 4.39Å; T640-Y684 HydrophobicContact CG2-CE1 3.77Å; K680-Y684 PolarHBondContact O-N 2.9Å; P681-Y684 WeakPolarHBondContact O-CB 3.42Å; P681-Y684 PolarHBondContact O-N 3.26Å; E682-Y684 VanDerWaalsContact C-N 3.32Å; E682-Y684 PolarHBondContact O-N 3.47Å; Y684-V687 PolarHBondContact O-N 2.82Å; Y684-L688 HydrophobicContact CD1-CD1 4.26Å; Y684-L688 HydrophobicContact CE1-CD1 3.6Å; Y684-L688 HydrophobicContact CE1-CG 4.25Å; Y684-L688 HydrophobicContact CE2-CD1 4.28Å; Y684-L688 HydrophobicContact CE2-CD2 4.2Å; Y684-L688 HydrophobicContact CE2-CG 4.09Å; Y684-L688 WeakPolarHBondContact O-CG 3.41Å; Y684-L688 PolarHBondContact O-N 3.24Å
685	E	93.1	Very high	91.3	Very high	135 Å²	135	58 Å²	58	63%	0.631	33%	0.33	S	S	*	.	H	α-helix	trans	-63.3	-42.8	173.8	-72.1	-171.8	178.6	0	0	111.9	P681 E682 V687 L688 A689	P681-E685 PolarHBondContact O-N 3.12Å; E682-E685 PolarHBondContact O-N 2.87Å; E685-V687 VanDerWaalsContact C-N 3.35Å; E685-V687 PolarHBondContact O-N 3.24Å; E685-L688 PolarHBondContact O-N 2.88Å; E685-A689 WeakPolarHBondContact O-CB 3.29Å; E685-A689 PolarHBondContact O-N 3.19Å
686	D	92.2	Very high	91.4	Very high	118 Å²	118	58.4 Å²	58.4	63%	0.631	33%	0.332	S	S	*	.	H	α-helix	trans	-62.3	-38.5	173.3	-96.8	-8.9	0	0	0	112.7	E682 V683 A689 S690	E682-D686 PolarHBondContact O-N 3.27Å; E682-D686 VanDerWaalsContact O-N 3.1Å; V683-D686 PolarHBondContact O-N 3.01Å; D686-A689 PolarHBondContact O-N 3.04Å; D686-S690 VanDerWaalsContact O-CB 3.24Å; D686-S690 WeakPolarHBondContact O-CB 3.41Å; D686-S690 PolarHBondContact O-N 3.35Å; D686-S690 PolarHBondContact O-OG 3.18Å
687	V	91.9	Very high	91.5	Very high	9 Å²	9	61.4 Å²	61.4	6%	0.055	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-43.8	174.8	164.2	0	0	0	0	111.1	V620 F623 V683 Y684 E685 S690 G691 R692	V620-V687 HydrophobicContact CB-CG2 3.79Å; V620-V687 HydrophobicContact CG1-CG2 4.01Å; V620-V687 HydrophobicContact CG2-CG1 4.16Å; V620-V687 HydrophobicContact CG2-CG2 3.84Å; F623-V687 HydrophobicContact CE2-CG2 4.24Å; V683-V687 WeakPolarHBondContact O-CB 3.48Å; V683-V687 VanDerWaalsContact O-CG2 3.24Å; V683-V687 WeakPolarHBondContact O-CG2 3.48Å; V683-V687 PolarHBondContact O-N 2.97Å; Y684-V687 PolarHBondContact O-N 2.82Å; E685-V687 VanDerWaalsContact C-N 3.35Å; E685-V687 PolarHBondContact O-N 3.24Å; V687-S690 PolarHBondContact O-OG 2.83Å; V687-G691 PolarHBondContact O-N 2.96Å; V687-R692 PolarHBondContact O-N 2.83Å
688	L	89.6	Confident	91.6	Very high	98 Å²	98	61.5 Å²	61.5	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-64.7	-44.6	174.4	-71	-178.6	0	0	0	112.5	Y684 E685 G691	Y684-L688 HydrophobicContact CD1-CD1 4.26Å; Y684-L688 HydrophobicContact CE1-CD1 3.6Å; Y684-L688 HydrophobicContact CE1-CG 4.25Å; Y684-L688 HydrophobicContact CE2-CD1 4.28Å; Y684-L688 HydrophobicContact CE2-CD2 4.2Å; Y684-L688 HydrophobicContact CE2-CG 4.09Å; Y684-L688 WeakPolarHBondContact O-CG 3.41Å; Y684-L688 PolarHBondContact O-N 3.24Å; E685-L688 PolarHBondContact O-N 2.88Å; L688-G691 PolarHBondContact O-N 3.2Å
689	A	90.1	Very high	91.7	Very high	89 Å²	89	61.8 Å²	61.8	74%	0.736	34%	0.344	S	S	*	.	H	α-helix	trans	-69.1	-37.2	-177.2	0	0	0	0	0	112.6	E685 D686	E685-A689 WeakPolarHBondContact O-CB 3.29Å; E685-A689 PolarHBondContact O-N 3.19Å; D686-A689 PolarHBondContact O-N 3.04Å
690	S	87.3	Confident	91.9	Very high	71 Å²	71	59.3 Å²	59.3	50%	0.497	33%	0.326	S	S	.	.	H	α-helix	trans	-82.3	-18.6	176.9	63.9	0	0	0	0	113.9	D686 V687 R692	D686-S690 VanDerWaalsContact O-CB 3.24Å; D686-S690 WeakPolarHBondContact O-CB 3.41Å; D686-S690 PolarHBondContact O-N 3.35Å; D686-S690 PolarHBondContact O-OG 3.18Å; V687-S690 PolarHBondContact O-OG 2.83Å; S690-R692 PolarHBondContact O-N 3.39Å; S690-R692 WeakPolarHBondContact OG-CG 3.31Å
691	G	84.3	Confident	91.9	Very high	65 Å²	65	57.1 Å²	57.1	67%	0.67	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	25.4	-174.7	0	0	0	0	0	113.6	V687 L688	V687-G691 PolarHBondContact O-N 2.96Å; L688-G691 PolarHBondContact O-N 3.2Å
692	R	85.6	Confident	92	Very high	129 Å²	129	54 Å²	54	49%	0.487	30%	0.296	S	S	.	.			trans	-77.6	158.5	176.1	-71.6	174.6	70.2	-172.9	0.9	111	D619 V620 V687 S690	D619-R692 IonicContact OD1-NH2 2.96Å; D619-R692 IonicContact OD2-CZ 2.73Å; D619-R692 IonicContact OD2-NE 2.62Å; D619-R692 PolarHBondContact OD2-NE 3.42Å; D619-R692 IonicContact OD2-NH2 3.25Å; D619-R692 PolarHBondContact OD2-NH2 2.99Å; V620-R692 HydrophobicContact CG1-CB 4Å; V687-R692 PolarHBondContact O-N 2.83Å; S690-R692 PolarHBondContact O-N 3.39Å; S690-R692 WeakPolarHBondContact OG-CG 3.31Å
693	G	89.3	Confident	92	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.28	C	S	.	.			trans	-171.4	-92.7	-179.2	0	0	0	0	0	111.8	G616 G617 N618 D619	G616-G693 VanDerWaalsContact C-CA 3.43Å; G616-G693 CarbonylContact O-C 3.54Å; G616-G693 WeakPolarHBondContact O-CA 3.3Å; G617-G693 CarbonylContact C-O 3.58Å; G617-G693 WeakPolarHBondContact CA-O 3.34Å; N618-G693 PolarHBondContact N-O 3.43Å; D619-G693 WeakPolarHBondContact CB-O 3.24Å; D619-G693 PolarHBondContact N-O 2.97Å
694	D	95.7	Very high	92	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.027	26%	0.262	C	S	.	.			trans	-90	154.8	173.4	-58.8	-54.9	0	0	0	110.8	G617 N618 V656 R657 F696 T723 T725	G617-D694 WeakPolarHBondContact CA-OD1 3.19Å; N618-D694 PolarHBondContact N-OD1 2.79Å; N618-D694 VanDerWaalsContact N-OD1 3.12Å; N618-D694 VanDerWaalsContact OD1-CA 3.28Å; N618-D694 WeakPolarHBondContact OD1-CA 3.46Å; V656-D694 VanDerWaalsContact CA-OD1 3.24Å; V656-D694 WeakPolarHBondContact CA-OD1 3.22Å; V656-D694 WeakPolarHBondContact CB-OD1 3.36Å; R657-D694 PolarHBondContact N-OD1 3.13Å; D694-F696 HydrophobicContact CB-CE1 4.31Å; D694-T723 PolarHBondContact N-O 3.1Å; D694-T723 CarbonylContact O-C 3.3Å; D694-T723 VanDerWaalsContact O-CA 3.31Å; D694-T723 WeakPolarHBondContact O-CA 3.44Å; D694-T725 HydrophobicContact CB-CG2 4.24Å; D694-T725 WeakPolarHBondContact OD2-CB 3.08Å; D694-T725 WeakPolarHBondContact OD2-CG2 3.11Å; D694-T725 PolarHBondContact OD2-N 3.11Å; D694-T725 PolarHBondContact OD2-OG1 3.02Å
695	S	94.3	Very high	91.8	Very high	21 Å²	21	54.1 Å²	54.1	15%	0.147	29%	0.293	C	S	.	.			trans	-165.3	91.9	-176.6	-177.5	0	0	0	0	108.6	N618 D619 K721 V722	N618-S695 PolarHBondContact ND2-O 3.07Å; N618-S695 PolarHBondContact OD1-N 3.3Å; D619-S695 WeakPolarHBondContact OD1-CB 3.33Å; D619-S695 PolarHBondContact OD1-OG 2.85Å; S695-K721 WeakPolarHBondContact OG-CE 3.42Å; S695-K721 PolarHBondContact OG-NZ 2.89Å; S695-V722 WeakPolarHBondContact CA-O 3.23Å
696	F	95.4	Very high	91.3	Very high	10 Å²	10	53.2 Å²	53.2	4%	0.044	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	163.3	172.6	61.3	-83.5	0	0	0	109.6	N618 V656 D694 I698 K721 V722 T725 W734 R815	N618-F696 WeakPolarHBondContact OD1-CD1 3.19Å; V656-F696 HydrophobicContact CG1-CD1 3.89Å; V656-F696 HydrophobicContact CG1-CE1 3.55Å; V656-F696 HydrophobicContact CG1-CZ 4.36Å; D694-F696 HydrophobicContact CB-CE1 4.31Å; F696-I698 HydrophobicContact CD2-CG2 3.8Å; F696-I698 HydrophobicContact CE2-CG2 3.63Å; F696-K721 CarbonylContact O-C 3.52Å; F696-K721 WeakPolarHBondContact O-CA 3.21Å; F696-V722 HydrophobicContact CD1-CB 4.1Å; F696-V722 HydrophobicContact CD1-CG1 4.46Å; F696-V722 HydrophobicContact CD2-CB 4.28Å; F696-V722 HydrophobicContact CD2-CG2 4.25Å; F696-V722 HydrophobicContact CE1-CB 3.7Å; F696-V722 HydrophobicContact CE1-CG1 3.67Å; F696-V722 HydrophobicContact CE1-CG2 4.36Å; F696-V722 HydrophobicContact CE2-CB 3.91Å; F696-V722 HydrophobicContact CE2-CG1 4.42Å; F696-V722 HydrophobicContact CE2-CG2 3.69Å; F696-V722 HydrophobicContact CG-CB 4.37Å; F696-V722 HydrophobicContact CZ-CB 3.61Å; F696-V722 HydrophobicContact CZ-CG1 3.65Å; F696-V722 HydrophobicContact CZ-CG2 3.76Å; F696-V722 PolarHBondContact N-O 2.79Å; F696-V722 PolarHBondContact O-N 2.87Å; F696-T725 HydrophobicContact CE1-CG2 3.66Å; F696-T725 HydrophobicContact CZ-CG2 3.87Å; F696-W734 HydrophobicContact CE2-CH2 4.13Å; F696-W734 AromaticContact CE2-CZ3 3.94Å; F696-W734 HydrophobicContact CE2-CZ3 3.94Å; F696-W734 HydrophobicContact CZ-CE3 4.36Å; F696-W734 AromaticContact CZ-CH2 3.85Å; F696-W734 HydrophobicContact CZ-CH2 3.85Å; F696-W734 HydrophobicContact CZ-CZ2 4.4Å; F696-W734 AromaticContact CZ-CZ3 3.85Å; F696-W734 HydrophobicContact CZ-CZ3 3.85Å; F696-R815 HydrophobicContact CD2-CG 4.21Å
697	Y	95.8	Very high	90.7	Very high	70 Å²	70	52 Å²	52	28%	0.275	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.7	179.4	-60.2	-98.4	0	0	0	110.8	F720 K721 M739 R815 V816 W978	Y697-F720 CarbonylContact C-O 3.49Å; Y697-F720 VanDerWaalsContact CA-O 3.29Å; Y697-F720 WeakPolarHBondContact CA-O 3.45Å; Y697-K721 HydrophobicContact CD1-CB 3.76Å; Y697-K721 HydrophobicContact CD1-CG 4.21Å; Y697-K721 HydrophobicContact CE1-CB 3.62Å; Y697-K721 HydrophobicContact CE1-CD 4.02Å; Y697-K721 HydrophobicContact CE1-CG 3.94Å; Y697-K721 HydrophobicContact CE2-CD 4.39Å; Y697-M739 HydrophobicContact CD1-CG 4.02Å; Y697-M739 HydrophobicContact CE1-CE 4.06Å; Y697-M739 HydrophobicContact CE1-CG 3.96Å; Y697-M739 HydrophobicContact CE1-SD 3.92Å; Y697-R815 WeakPolarHBondContact O-CA 3.17Å; Y697-V816 WeakPolarHBondContact CB-O 3.19Å; Y697-V816 PolarHBondContact O-N 3.03Å; Y697-W978 AromaticContact CD1-CH2 3.48Å; Y697-W978 HydrophobicContact CD1-CH2 3.48Å; Y697-W978 VanDerWaalsContact CD1-CH2 3.48Å; Y697-W978 HydrophobicContact CD1-CZ2 4.41Å; Y697-W978 AromaticContact CD1-CZ3 3.84Å; Y697-W978 HydrophobicContact CD1-CZ3 3.84Å; Y697-W978 HydrophobicContact CD2-CH2 4.28Å; Y697-W978 HydrophobicContact CD2-CZ3 4.08Å; Y697-W978 AromaticContact CE1-CH2 3.77Å; Y697-W978 HydrophobicContact CE1-CH2 3.77Å; Y697-W978 HydrophobicContact CE1-CZ3 4.46Å; Y697-W978 AromaticContact CG-CH2 3.75Å; Y697-W978 HydrophobicContact CG-CH2 3.75Å; Y697-W978 AromaticContact CG-CZ3 3.62Å; Y697-W978 HydrophobicContact CG-CZ3 3.62Å
698	I	96.6	Very high	90.2	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.7	176.7	60.5	176.4	0	0	0	111.2	F696 I719 F720 V722 W734 I753 Y813 E814 R815	F696-I698 HydrophobicContact CD2-CG2 3.8Å; F696-I698 HydrophobicContact CE2-CG2 3.63Å; I698-I719 WeakPolarHBondContact O-CA 3.2Å; I698-F720 HydrophobicContact CD1-CB 4.31Å; I698-F720 HydrophobicContact CG1-CB 3.85Å; I698-F720 PolarHBondContact N-O 3.41Å; I698-F720 PolarHBondContact O-N 3.32Å; I698-V722 HydrophobicContact CD1-CG2 3.81Å; I698-V722 HydrophobicContact CG1-CG2 4.13Å; I698-V722 HydrophobicContact CG2-CG2 4.35Å; I698-W734 HydrophobicContact CD1-CE3 4.44Å; I698-W734 HydrophobicContact CD1-CZ3 4.28Å; I698-I753 HydrophobicContact CD1-CD1 3.71Å; I698-Y813 HydrophobicContact CD1-CD1 3.86Å; I698-Y813 HydrophobicContact CD1-CD2 4.01Å; I698-Y813 HydrophobicContact CD1-CE1 4.15Å; I698-Y813 HydrophobicContact CD1-CE2 4.29Å; I698-Y813 HydrophobicContact CD1-CG 3.79Å; I698-E814 CarbonylContact C-O 3.58Å; I698-E814 WeakPolarHBondContact CA-O 3.02Å; I698-R815 HydrophobicContact CG2-CG 4.36Å
699	R	94.6	Very high	89.9	Confident	35 Å²	35	54.4 Å²	54.4	13%	0.132	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.3	163.4	179.7	-174	-71.5	121.8	-8	109.6	E718 I719 Y813 E814 V816 W978	R699-E718 WeakPolarHBondContact CA-O 3.48Å; R699-I719 HydrophobicContact CB-CD1 3.71Å; R699-I719 HydrophobicContact CG-CD1 3.95Å; R699-Y813 WeakPolarHBondContact O-CA 3.32Å; R699-E814 HydrophobicContact CB-CB 4.36Å; R699-E814 WeakPolarHBondContact CD-OE2 3.37Å; R699-E814 IonicContact CZ-OE2 2.82Å; R699-E814 PolarHBondContact N-O 3Å; R699-E814 IonicContact NE-OE2 3.86Å; R699-E814 VanDerWaalsContact NH1-CD 3.32Å; R699-E814 IonicContact NH1-OE1 3Å; R699-E814 PolarHBondContact NH1-OE1 3.22Å; R699-E814 IonicContact NH1-OE2 3.85Å; R699-E814 PolarHBondContact NH1-OE2 3.19Å; R699-E814 PolarHBondContact O-N 3.16Å; R699-V816 HydrophobicContact CB-CG1 3.92Å; R699-V816 HydrophobicContact CB-CG2 4.5Å; R699-W978 PolarHBondContact NH1-O 2.89Å; R699-W978 PolarHBondContact NH2-O 3.32Å
700	T	95.1	Very high	89.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	138.9	175.7	59.7	0	0	0	0	111.6	F714 G715 G717 E718 F720 Y813	T700-F714 HydrophobicContact CG2-CB 4.46Å; T700-F714 HydrophobicContact CG2-CD1 4.32Å; T700-F714 HydrophobicContact CG2-CD2 3.46Å; T700-F714 VanDerWaalsContact CG2-CD2 3.46Å; T700-F714 HydrophobicContact CG2-CE1 4.44Å; T700-F714 HydrophobicContact CG2-CE2 3.6Å; T700-F714 HydrophobicContact CG2-CG 3.84Å; T700-F714 HydrophobicContact CG2-CZ 4.1Å; T700-G715 PolarHBondContact OG1-O 3.46Å; T700-G717 PolarHBondContact O-N 3.18Å; T700-E718 PolarHBondContact N-O 2.85Å; T700-E718 PolarHBondContact OG1-N 3.28Å; T700-E718 VanDerWaalsContact OG1-N 3.12Å; T700-E718 PolarHBondContact OG1-O 3.41Å; T700-F720 HydrophobicContact CG2-CD2 3.89Å; T700-F720 HydrophobicContact CG2-CE2 3.9Å; T700-Y813 HydrophobicContact CG2-CD1 4.3Å; T700-Y813 HydrophobicContact CG2-CE1 4.24Å
701	H	92.6	Very high	89.7	Confident	18 Å²	18	52.2 Å²	52.2	8%	0.083	27%	0.269	C	S	.	.			trans	-121.2	4.4	177.5	-73.5	-79	0	0	0	114.4	R716 F810 P811 A812 E814	H701-R716 PolarHBondContact O-NE 3Å; H701-F810 HydrophobicContact CB-CB 3.91Å; H701-F810 AromaticContact CD2-CG 3.88Å; H701-F810 AromaticContact CE1-CD1 3.5Å; H701-F810 VanDerWaalsContact CE1-CD1 3.5Å; H701-F810 WeakPolarHBondContact CE1-CD1 3.33Å; H701-F810 AromaticContact CE1-CD2 3.35Å; H701-F810 WeakPolarHBondContact CE1-CD2 3.34Å; H701-F810 AromaticContact CE1-CE1 3.79Å; H701-F810 AromaticContact CE1-CE2 3.67Å; H701-F810 AromaticContact CE1-CG 3.25Å; H701-F810 WeakPolarHBondContact CE1-CG 3.45Å; H701-F810 AromaticContact CE1-CZ 3.86Å; H701-F810 AromaticContact CG-CG 3.83Å; H701-F810 AromaticContact ND1-CD2 3.42Å; H701-F810 WeakPolarHBondContact ND1-CD2 3.45Å; H701-F810 AromaticContact ND1-CG 3.47Å; H701-F810 WeakPolarHBondContact ND1-CG 3.48Å; H701-F810 AromaticContact NE2-CD1 3.45Å; H701-F810 WeakPolarHBondContact NE2-CD1 3.28Å; H701-F810 AromaticContact NE2-CE1 3.94Å; H701-F810 AromaticContact NE2-CG 3.52Å; H701-P811 WeakPolarHBondContact CB-O 3.26Å; H701-P811 PolarHBondContact CD2-O 3.22Å; H701-A812 PolarHBondContact N-O 3.33Å; H701-E814 IonicContact CD2-OE2 3.55Å; H701-E814 IonicContact CE1-OE2 3.09Å; H701-E814 WeakPolarHBondContact NE2-CB 3.49Å; H701-E814 IonicContact NE2-OE2 2.73Å; H701-E814 PolarHBondContact NE2-OE2 2.75Å
702	F	91.8	Very high	90.1	Very high	3 Å²	3	50 Å²	50	1%	0.013	24%	0.242	C	C	.	.	S	Bend	trans	-128.5	175.3	170.5	75.9	-69.9	0	0	0	110.4	Y704 F714 G715 A759 M762 A763 A812 Y813	F702-Y704 HydrophobicContact CE2-CD2 4.47Å; F702-F714 HydrophobicContact CD1-CE2 4.13Å; F702-F714 AromaticContact CE1-CE2 3.65Å; F702-F714 HydrophobicContact CE1-CE2 3.65Å; F702-F714 AromaticContact CE1-CZ 3.82Å; F702-F714 HydrophobicContact CE1-CZ 3.82Å; F702-F714 HydrophobicContact CE2-CE2 4.17Å; F702-F714 HydrophobicContact CE2-CZ 4.32Å; F702-F714 AromaticContact CZ-CE2 3.68Å; F702-F714 HydrophobicContact CZ-CE2 3.68Å; F702-F714 AromaticContact CZ-CZ 3.59Å; F702-F714 HydrophobicContact CZ-CZ 3.59Å; F702-G715 CarbonylContact O-C 3.51Å; F702-A759 HydrophobicContact CE1-CB 3.76Å; F702-A759 HydrophobicContact CZ-CB 3.77Å; F702-M762 HydrophobicContact CD2-CB 4.44Å; F702-M762 HydrophobicContact CE2-CB 3.95Å; F702-A763 HydrophobicContact CB-CB 3.74Å; F702-A763 HydrophobicContact CD1-CB 4.15Å; F702-A763 HydrophobicContact CD2-CB 4.37Å; F702-A763 HydrophobicContact CG-CB 3.84Å; F702-A812 HydrophobicContact CD1-CB 3.76Å; F702-A812 HydrophobicContact CE1-CB 3.88Å; F702-Y813 HydrophobicContact CE1-CD1 4.26Å; F702-Y813 AromaticContact CE1-CE1 3.8Å; F702-Y813 HydrophobicContact CE1-CE1 3.8Å; F702-Y813 HydrophobicContact CZ-CE1 4.4Å
703	E	91.3	Very high	90.4	Very high	91 Å²	91	47 Å²	47	43%	0.425	24%	0.239	S	C	.	.			trans	-109.1	119.6	-177.8	176.6	174.4	-146.8	0	0	108.5	Q766 R770	E703-Q766 PolarHBondContact O-NE2 3.33Å; E703-R770 IonicContact OE2-CZ 3.16Å; E703-R770 IonicContact OE2-NH1 2.7Å; E703-R770 IonicContact OE2-NH2 2.78Å; E703-R770 PolarHBondContact OE2-NH2 2.71Å
704	Y	92.1	Very high	90.5	Very high	6 Å²	6	47.3 Å²	47.3	2%	0.024	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-115.9	121.3	-176.1	173.6	-109.4	0	0	0	110.9	F702 E707 L712 P713 F714 P754 M762	F702-Y704 HydrophobicContact CE2-CD2 4.47Å; Y704-E707 HydrophobicContact CE2-CG 3.92Å; Y704-E707 WeakPolarHBondContact OH-CG 3.5Å; Y704-E707 PolarHBondContact OH-OE2 3.41Å; Y704-L712 WeakPolarHBondContact CD1-O 3.46Å; Y704-L712 WeakPolarHBondContact CE1-O 2.88Å; Y704-P713 VanDerWaalsContact O-CA 3.31Å; Y704-P713 WeakPolarHBondContact O-CA 3.44Å; Y704-P713 WeakPolarHBondContact O-CB 3.45Å; Y704-F714 AromaticContact CD1-CD1 3.92Å; Y704-F714 HydrophobicContact CD1-CD1 3.92Å; Y704-F714 AromaticContact CD1-CE1 3.57Å; Y704-F714 HydrophobicContact CD1-CE1 3.57Å; Y704-F714 HydrophobicContact CD1-CZ 4.07Å; Y704-F714 HydrophobicContact CE1-CE1 4.48Å; Y704-F714 HydrophobicContact CG-CD1 4.42Å; Y704-F714 AromaticContact CG-CE1 3.88Å; Y704-F714 HydrophobicContact CG-CE1 3.88Å; Y704-F714 HydrophobicContact CG-CE2 4.4Å; Y704-F714 AromaticContact CG-CZ 3.87Å; Y704-F714 HydrophobicContact CG-CZ 3.87Å; Y704-F714 PolarHBondContact N-O 3.29Å; Y704-F714 PolarHBondContact O-N 2.81Å; Y704-P754 HydrophobicContact CD2-CG 3.84Å; Y704-P754 HydrophobicContact CE1-CG 4.35Å; Y704-P754 HydrophobicContact CE2-CG 3.4Å; Y704-P754 HydrophobicContact CG-CG 4.49Å; Y704-M762 HydrophobicContact CD2-CE 3.72Å; Y704-M762 HydrophobicContact CD2-SD 4.11Å; Y704-M762 HydrophobicContact CE2-CE 3.8Å; Y704-M762 HydrophobicContact CE2-SD 4.12Å
705	E	89.9	Confident	90.2	Very high	163 Å²	163	48.3 Å²	48.3	76%	0.762	25%	0.252	S	S	*	.			trans	-88.9	155.1	173.5	-65.9	-173.5	169.3	0	0	111.5	E707	E705-E707 PolarHBondContact O-N 3.45Å
706	K	82.6	Confident	90.1	Very high	116 Å²	116	49.1 Å²	49.1	50%	0.504	25%	0.251	S	S	.	.			trans	-75.7	104.7	-168.8	-172	175.7	-179.3	160.1	0	112.4	A708 P709 S711 P713	K706-A708 WeakPolarHBondContact CE-O 3.48Å; K706-A708 WeakPolarHBondContact CG-O 3.39Å; K706-P709 WeakPolarHBondContact CE-O 3.37Å; K706-P709 PolarHBondContact NZ-O 3.38Å; K706-S711 VanDerWaalsContact CE-O 3.22Å; K706-S711 WeakPolarHBondContact CE-O 3.25Å; K706-S711 VanDerWaalsContact CG-OG 3.3Å; K706-S711 WeakPolarHBondContact CG-OG 3.46Å; K706-P713 HydrophobicContact CB-CB 4.12Å; K706-P713 HydrophobicContact CB-CG 4.19Å
707	E	79.6	Confident	89.8	Confident	91 Å²	91	49.9 Å²	49.9	43%	0.425	26%	0.263	S	S	.	.			trans	-75.4	-37.2	178.3	-63.9	171.8	139.7	0	0	113.3	Y704 E705 S711 R758	Y704-E707 HydrophobicContact CE2-CG 3.92Å; Y704-E707 WeakPolarHBondContact OH-CG 3.5Å; Y704-E707 PolarHBondContact OH-OE2 3.41Å; E705-E707 PolarHBondContact O-N 3.45Å; E707-S711 PolarHBondContact N-OG 3.29Å; E707-R758 IonicContact OE1-CZ 3.2Å; E707-R758 IonicContact OE1-NE 3.04Å; E707-R758 IonicContact OE1-NH2 3.41Å; E707-R758 PolarHBondContact OE1-NH2 3.34Å; E707-R758 IonicContact OE2-CZ 2.76Å; E707-R758 IonicContact OE2-NE 3.35Å; E707-R758 IonicContact OE2-NH2 3.13Å; E707-R758 PolarHBondContact OE2-NH2 3.04Å
708	A	81.1	Confident	89.6	Confident	35 Å²	35	48.7 Å²	48.7	29%	0.289	26%	0.259	S	S	.	.	S	Bend	trans	-133.1	154.2	-174	0	0	0	0	0	112.5	K706 Q710 S711	K706-A708 WeakPolarHBondContact CE-O 3.48Å; K706-A708 WeakPolarHBondContact CG-O 3.39Å; A708-Q710 HydrophobicContact CB-CG 4.4Å; A708-Q710 PolarHBondContact O-N 3.2Å; A708-S711 PolarHBondContact N-OG 2.76Å; A708-S711 PolarHBondContact O-N 2.99Å; A708-S711 PolarHBondContact O-OG 2.88Å
709	P	82.8	Confident	89.4	Confident	123 Å²	123	49.5 Å²	49.5	80%	0.799	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-30.8	-179.2	-29.3	36.2	0	0	0	115.2	K706	K706-P709 WeakPolarHBondContact CE-O 3.37Å; K706-P709 PolarHBondContact NZ-O 3.38Å
710	Q	84.9	Confident	89.5	Confident	111 Å²	111	47.8 Å²	47.8	52%	0.519	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-1.7	179.3	59.3	-176.9	-3.4	0	0	114.7	A708 G751 I752	A708-Q710 HydrophobicContact CB-CG 4.4Å; A708-Q710 PolarHBondContact O-N 3.2Å; Q710-G751 WeakPolarHBondContact O-CA 3.3Å; Q710-I752 VanDerWaalsContact CD-CD1 3.42Å; Q710-I752 HydrophobicContact CG-CD1 3.67Å; Q710-I752 HydrophobicContact CG-CG1 4.26Å; Q710-I752 PolarHBondContact O-N 3.37Å
711	S	89.5	Confident	89.5	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.028	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-85.1	148.4	176.8	64.3	0	0	0	0	112.2	K706 E707 A708 I752	K706-S711 VanDerWaalsContact CE-O 3.22Å; K706-S711 WeakPolarHBondContact CE-O 3.25Å; K706-S711 VanDerWaalsContact CG-OG 3.3Å; K706-S711 WeakPolarHBondContact CG-OG 3.46Å; E707-S711 PolarHBondContact N-OG 3.29Å; A708-S711 PolarHBondContact N-OG 2.76Å; A708-S711 PolarHBondContact O-N 2.99Å; A708-S711 PolarHBondContact O-OG 2.88Å; S711-I752 CarbonylContact C-O 3.54Å; S711-I752 WeakPolarHBondContact CA-O 3.45Å; S711-I752 WeakPolarHBondContact CB-O 3.36Å
712	L	90.9	Very high	89.6	Confident	19 Å²	19	49.3 Å²	49.3	10%	0.099	26%	0.263	C	S	.	.			trans	-98.6	111.3	177.8	-58.1	-177	0	0	0	109.3	Y704 F714 F720 I752 I753	Y704-L712 WeakPolarHBondContact CD1-O 3.46Å; Y704-L712 WeakPolarHBondContact CE1-O 2.88Å; L712-F714 WeakPolarHBondContact O-CD1 3.39Å; L712-F720 HydrophobicContact CB-CE1 4.18Å; L712-F720 HydrophobicContact CD1-CD1 4.28Å; L712-F720 HydrophobicContact CD1-CE1 3.75Å; L712-I752 PolarHBondContact N-O 2.75Å; L712-I753 HydrophobicContact CB-CG2 4.2Å
713	P	91.9	Very high	89.7	Confident	65 Å²	65	50.3 Å²	50.3	42%	0.422	27%	0.27	S	S	.	.			trans	-69	151.5	168.5	30.7	-33.4	0	0	0	110.3	Y704 K706	Y704-P713 VanDerWaalsContact O-CA 3.31Å; Y704-P713 WeakPolarHBondContact O-CA 3.44Å; Y704-P713 WeakPolarHBondContact O-CB 3.45Å; K706-P713 HydrophobicContact CB-CB 4.12Å; K706-P713 HydrophobicContact CB-CG 4.19Å
714	F	92.4	Very high	89.9	Confident	7 Å²	7	47.3 Å²	47.3	3%	0.031	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-150.4	146.5	178.4	51.5	-103.2	0	0	0	113.1	T700 F702 Y704 L712 E718 F720 I753 Y813	T700-F714 HydrophobicContact CG2-CB 4.46Å; T700-F714 HydrophobicContact CG2-CD1 4.32Å; T700-F714 HydrophobicContact CG2-CD2 3.46Å; T700-F714 VanDerWaalsContact CG2-CD2 3.46Å; T700-F714 HydrophobicContact CG2-CE1 4.44Å; T700-F714 HydrophobicContact CG2-CE2 3.6Å; T700-F714 HydrophobicContact CG2-CG 3.84Å; T700-F714 HydrophobicContact CG2-CZ 4.1Å; F702-F714 HydrophobicContact CD1-CE2 4.13Å; F702-F714 AromaticContact CE1-CE2 3.65Å; F702-F714 HydrophobicContact CE1-CE2 3.65Å; F702-F714 AromaticContact CE1-CZ 3.82Å; F702-F714 HydrophobicContact CE1-CZ 3.82Å; F702-F714 HydrophobicContact CE2-CE2 4.17Å; F702-F714 HydrophobicContact CE2-CZ 4.32Å; F702-F714 AromaticContact CZ-CE2 3.68Å; F702-F714 HydrophobicContact CZ-CE2 3.68Å; F702-F714 AromaticContact CZ-CZ 3.59Å; F702-F714 HydrophobicContact CZ-CZ 3.59Å; Y704-F714 AromaticContact CD1-CD1 3.92Å; Y704-F714 HydrophobicContact CD1-CD1 3.92Å; Y704-F714 AromaticContact CD1-CE1 3.57Å; Y704-F714 HydrophobicContact CD1-CE1 3.57Å; Y704-F714 HydrophobicContact CD1-CZ 4.07Å; Y704-F714 HydrophobicContact CE1-CE1 4.48Å; Y704-F714 HydrophobicContact CG-CD1 4.42Å; Y704-F714 AromaticContact CG-CE1 3.88Å; Y704-F714 HydrophobicContact CG-CE1 3.88Å; Y704-F714 HydrophobicContact CG-CE2 4.4Å; Y704-F714 AromaticContact CG-CZ 3.87Å; Y704-F714 HydrophobicContact CG-CZ 3.87Å; Y704-F714 PolarHBondContact N-O 3.29Å; Y704-F714 PolarHBondContact O-N 2.81Å; L712-F714 WeakPolarHBondContact O-CD1 3.39Å; F714-E718 WeakPolarHBondContact CA-OE1 3.49Å; F714-E718 HydrophobicContact CB-CB 4.38Å; F714-E718 HydrophobicContact CB-CG 4.45Å; F714-F720 HydrophobicContact CB-CE2 3.74Å; F714-F720 HydrophobicContact CB-CZ 3.79Å; F714-F720 HydrophobicContact CD1-CE2 4.05Å; F714-F720 AromaticContact CD1-CZ 4Å; F714-F720 HydrophobicContact CD1-CZ 4Å; F714-F720 HydrophobicContact CG-CE2 4.05Å; F714-F720 HydrophobicContact CG-CZ 4.25Å; F714-I753 HydrophobicContact CD1-CG2 4.16Å; F714-I753 HydrophobicContact CE1-CB 4.14Å; F714-I753 HydrophobicContact CE1-CG2 3.83Å; F714-Y813 HydrophobicContact CE1-CE1 4.46Å; F714-Y813 HydrophobicContact CE2-CE1 4.34Å; F714-Y813 AromaticContact CZ-CE1 3.76Å; F714-Y813 HydrophobicContact CZ-CE1 3.76Å
715	G	90.1	Very high	90.1	Very high	25 Å²	25	47 Å²	47	26%	0.258	26%	0.256	S	S	.	.			trans	-81.7	-176.6	163.6	0	0	0	0	0	112.5	T700 F702 E718	T700-G715 PolarHBondContact OG1-O 3.46Å; F702-G715 CarbonylContact O-C 3.51Å; G715-E718 PolarHBondContact N-OE1 2.82Å
716	R	90.6	Very high	90.3	Very high	38 Å²	38	40.1 Å²	40.1	14%	0.143	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	149.9	167.9	-60.8	-174.2	173.8	-155.2	-11.3	110.6	H701 E718 H946	H701-R716 PolarHBondContact O-NE 3Å; R716-E718 VanDerWaalsContact C-N 3.27Å; R716-E718 PolarHBondContact O-N 2.88Å; R716-H946 HydrophobicContact CB-CB 3.85Å; R716-H946 WeakPolarHBondContact O-CB 3.14Å
717	G	89.3	Confident	90.6	Very high	27 Å²	27	38.1 Å²	38.1	28%	0.278	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-4.6	175.7	0	0	0	0	0	115.3	T700	T700-G717 PolarHBondContact O-N 3.18Å
718	E	92.1	Very high	91	Very high	44 Å²	44	39.1 Å²	39.1	21%	0.206	22%	0.222	C	C	.	.			trans	-71.2	146.4	178.6	-69.2	-168.5	-148.5	0	0	111.7	R699 T700 F714 G715 R716 F720 R738	R699-E718 WeakPolarHBondContact CA-O 3.48Å; T700-E718 PolarHBondContact N-O 2.85Å; T700-E718 PolarHBondContact OG1-N 3.28Å; T700-E718 VanDerWaalsContact OG1-N 3.12Å; T700-E718 PolarHBondContact OG1-O 3.41Å; F714-E718 WeakPolarHBondContact CA-OE1 3.49Å; F714-E718 HydrophobicContact CB-CB 4.38Å; F714-E718 HydrophobicContact CB-CG 4.45Å; G715-E718 PolarHBondContact N-OE1 2.82Å; R716-E718 VanDerWaalsContact C-N 3.27Å; R716-E718 PolarHBondContact O-N 2.88Å; E718-F720 HydrophobicContact CB-CD2 4.39Å; E718-F720 HydrophobicContact CB-CE2 3.72Å; E718-R738 IonicContact OE1-NH1 2.73Å; E718-R738 PolarHBondContact OE1-NH1 3.18Å; E718-R738 VanDerWaalsContact OE1-NH1 3.17Å; E718-R738 IonicContact OE2-CZ 2.72Å; E718-R738 IonicContact OE2-NE 3.55Å; E718-R738 IonicContact OE2-NH1 2.89Å; E718-R738 PolarHBondContact OE2-NH1 3.37Å
719	I	93.3	Very high	91.3	Very high	18 Å²	18	40 Å²	40	9%	0.092	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.5	-178.1	-51.6	-61.8	0	0	0	110.1	I698 R699 M739 V816 W978	I698-I719 WeakPolarHBondContact O-CA 3.2Å; R699-I719 HydrophobicContact CB-CD1 3.71Å; R699-I719 HydrophobicContact CG-CD1 3.95Å; I719-M739 HydrophobicContact CB-CB 4.14Å; I719-M739 HydrophobicContact CG2-CB 4.02Å; I719-M739 HydrophobicContact CG2-CG 4.19Å; I719-M739 WeakPolarHBondContact O-CB 3.48Å; I719-M739 PolarHBondContact O-N 3.05Å; I719-V816 HydrophobicContact CD1-CG2 4.41Å; I719-W978 HydrophobicContact CD1-CB 4.2Å; I719-W978 HydrophobicContact CD1-CD2 4.48Å; I719-W978 HydrophobicContact CD1-CG 3.99Å; I719-W978 HydrophobicContact CG1-CD2 4.48Å; I719-W978 HydrophobicContact CG1-CG 4.17Å; I719-W978 HydrophobicContact CG2-CD2 4.07Å; I719-W978 HydrophobicContact CG2-CE3 4.41Å; I719-W978 HydrophobicContact CG2-CH2 4.29Å; I719-W978 HydrophobicContact CG2-CZ2 3.94Å
720	F	95.2	Very high	91.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139	177.3	-71.3	-96.7	0	0	0	110.8	Y697 I698 T700 L712 F714 E718 A736 I737 R738 I753	Y697-F720 CarbonylContact C-O 3.49Å; Y697-F720 VanDerWaalsContact CA-O 3.29Å; Y697-F720 WeakPolarHBondContact CA-O 3.45Å; I698-F720 HydrophobicContact CD1-CB 4.31Å; I698-F720 HydrophobicContact CG1-CB 3.85Å; I698-F720 PolarHBondContact N-O 3.41Å; I698-F720 PolarHBondContact O-N 3.32Å; T700-F720 HydrophobicContact CG2-CD2 3.89Å; T700-F720 HydrophobicContact CG2-CE2 3.9Å; L712-F720 HydrophobicContact CB-CE1 4.18Å; L712-F720 HydrophobicContact CD1-CD1 4.28Å; L712-F720 HydrophobicContact CD1-CE1 3.75Å; F714-F720 HydrophobicContact CB-CE2 3.74Å; F714-F720 HydrophobicContact CB-CZ 3.79Å; F714-F720 HydrophobicContact CD1-CE2 4.05Å; F714-F720 AromaticContact CD1-CZ 4Å; F714-F720 HydrophobicContact CD1-CZ 4Å; F714-F720 HydrophobicContact CG-CE2 4.05Å; F714-F720 HydrophobicContact CG-CZ 4.25Å; E718-F720 HydrophobicContact CB-CD2 4.39Å; E718-F720 HydrophobicContact CB-CE2 3.72Å; F720-A736 HydrophobicContact CB-CB 4.26Å; F720-A736 HydrophobicContact CD1-CB 4Å; F720-I737 CarbonylContact C-O 3.51Å; F720-I737 WeakPolarHBondContact CA-O 3.15Å; F720-R738 HydrophobicContact CD1-CB 4.06Å; F720-R738 HydrophobicContact CE1-CB 3.62Å; F720-R738 HydrophobicContact CE1-CG 4.22Å; F720-R738 HydrophobicContact CZ-CB 4.17Å; F720-R738 HydrophobicContact CZ-CG 4.27Å; F720-I753 HydrophobicContact CE1-CG2 4.47Å
721	K	94.9	Very high	91.9	Very high	49 Å²	49	38.3 Å²	38.3	21%	0.213	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.8	161.3	-174.7	174.2	-177.9	163.7	0	109.1	S695 F696 Y697 T723 A736 I737 M739	S695-K721 WeakPolarHBondContact OG-CE 3.42Å; S695-K721 PolarHBondContact OG-NZ 2.89Å; F696-K721 CarbonylContact O-C 3.52Å; F696-K721 WeakPolarHBondContact O-CA 3.21Å; Y697-K721 HydrophobicContact CD1-CB 3.76Å; Y697-K721 HydrophobicContact CD1-CG 4.21Å; Y697-K721 HydrophobicContact CE1-CB 3.62Å; Y697-K721 HydrophobicContact CE1-CD 4.02Å; Y697-K721 HydrophobicContact CE1-CG 3.94Å; Y697-K721 HydrophobicContact CE2-CD 4.39Å; K721-T723 HydrophobicContact CD-CG2 4.47Å; K721-T723 HydrophobicContact CG-CG2 4.28Å; K721-A736 CarbonylContact O-C 3.06Å; K721-A736 VanDerWaalsContact O-CA 3.31Å; K721-A736 WeakPolarHBondContact O-CA 3.27Å; K721-I737 HydrophobicContact CB-CB 4.45Å; K721-I737 PolarHBondContact N-O 3.33Å; K721-I737 PolarHBondContact O-N 2.72Å; K721-M739 HydrophobicContact CB-CG 4.36Å; K721-M739 HydrophobicContact CB-SD 4.08Å
722	V	95.8	Very high	91.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	136.5	169.2	-175.9	0	0	0	0	108.7	S695 F696 I698 T725 W734	S695-V722 WeakPolarHBondContact CA-O 3.23Å; F696-V722 HydrophobicContact CD1-CB 4.1Å; F696-V722 HydrophobicContact CD1-CG1 4.46Å; F696-V722 HydrophobicContact CD2-CB 4.28Å; F696-V722 HydrophobicContact CD2-CG2 4.25Å; F696-V722 HydrophobicContact CE1-CB 3.7Å; F696-V722 HydrophobicContact CE1-CG1 3.67Å; F696-V722 HydrophobicContact CE1-CG2 4.36Å; F696-V722 HydrophobicContact CE2-CB 3.91Å; F696-V722 HydrophobicContact CE2-CG1 4.42Å; F696-V722 HydrophobicContact CE2-CG2 3.69Å; F696-V722 HydrophobicContact CG-CB 4.37Å; F696-V722 HydrophobicContact CZ-CB 3.61Å; F696-V722 HydrophobicContact CZ-CG1 3.65Å; F696-V722 HydrophobicContact CZ-CG2 3.76Å; F696-V722 PolarHBondContact N-O 2.79Å; F696-V722 PolarHBondContact O-N 2.87Å; I698-V722 HydrophobicContact CD1-CG2 3.81Å; I698-V722 HydrophobicContact CG1-CG2 4.13Å; I698-V722 HydrophobicContact CG2-CG2 4.35Å; V722-T725 HydrophobicContact CG1-CG2 3.91Å; V722-W734 HydrophobicContact CG1-CB 4.31Å; V722-W734 HydrophobicContact CG1-CD2 4.24Å; V722-W734 HydrophobicContact CG1-CE3 4.1Å; V722-W734 HydrophobicContact CG1-CG 4.4Å; V722-W734 HydrophobicContact CG2-CE3 3.72Å; V722-W734 HydrophobicContact CG2-CZ3 4.04Å
723	T	93.9	Very high	92.1	Very high	24 Å²	24	40.9 Å²	40.9	15%	0.147	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	-17.4	-176.8	58.5	0	0	0	0	114.3	D694 K721 L735 I737	D694-T723 PolarHBondContact N-O 3.1Å; D694-T723 CarbonylContact O-C 3.3Å; D694-T723 VanDerWaalsContact O-CA 3.31Å; D694-T723 WeakPolarHBondContact O-CA 3.44Å; K721-T723 HydrophobicContact CD-CG2 4.47Å; K721-T723 HydrophobicContact CG-CG2 4.28Å; T723-L735 PolarHBondContact N-O 3.13Å; T723-L735 PolarHBondContact OG1-O 3.3Å; T723-I737 HydrophobicContact CG2-CD1 3.8Å; T723-I737 HydrophobicContact CG2-CG1 4.09Å
724	D	94.6	Very high	92.3	Very high	28 Å²	28	38.4 Å²	38.4	15%	0.15	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	125.9	170.3	-158.7	-47.3	0	0	0	108.5	R657 L726 W734 L735	R657-D724 IonicContact CZ-OD1 3.51Å; R657-D724 IonicContact CZ-OD2 3.17Å; R657-D724 IonicContact NH1-OD1 2.71Å; R657-D724 PolarHBondContact NH1-OD1 3.29Å; R657-D724 IonicContact NH1-OD2 2.72Å; R657-D724 PolarHBondContact NH1-OD2 2.96Å; R657-D724 IonicContact NH2-OD2 3.71Å; R657-D724 PolarHBondContact NH2-OD2 3.13Å; D724-L726 VanDerWaalsContact OD1-C 3.29Å; D724-L726 WeakPolarHBondContact OD1-CA 3Å; D724-L726 PolarHBondContact OD1-N 3.45Å; D724-W734 CarbonylContact O-C 3.51Å; D724-W734 WeakPolarHBondContact O-CA 3.44Å; D724-L735 HydrophobicContact CB-CB 3.78Å; D724-L735 HydrophobicContact CB-CD2 4.25Å; D724-L735 PolarHBondContact N-O 3.26Å; D724-L735 PolarHBondContact O-N 3.28Å
725	T	96.3	Very high	92.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-90.4	-6.5	177.2	53.9	0	0	0	0	113.6	V656 R657 E658 D694 F696 V722 W734	V656-T725 HydrophobicContact CB-CG2 4Å; V656-T725 HydrophobicContact CG1-CG2 4.37Å; V656-T725 HydrophobicContact CG2-CG2 4.32Å; R657-T725 PolarHBondContact N-OG1 3.12Å; E658-T725 PolarHBondContact N-OG1 3.21Å; D694-T725 HydrophobicContact CB-CG2 4.24Å; D694-T725 WeakPolarHBondContact OD2-CB 3.08Å; D694-T725 WeakPolarHBondContact OD2-CG2 3.11Å; D694-T725 PolarHBondContact OD2-N 3.11Å; D694-T725 PolarHBondContact OD2-OG1 3.02Å; F696-T725 HydrophobicContact CE1-CG2 3.66Å; F696-T725 HydrophobicContact CZ-CG2 3.87Å; V722-T725 HydrophobicContact CG1-CG2 3.91Å; T725-W734 VanDerWaalsContact CA-CD1 3.45Å; T725-W734 HydrophobicContact CG2-CD2 4.26Å; T725-W734 HydrophobicContact CG2-CG 4.46Å; T725-W734 HydrophobicContact CG2-CZ2 4.19Å; T725-W734 PolarHBondContact O-NE1 3.43Å
726	L	93.7	Very high	92.6	Very high	18 Å²	18	38.1 Å²	38.1	9%	0.094	21%	0.206	C	C	.	.	S	Bend	trans	-131.3	58.8	-177.4	-165.4	77.5	0	0	0	110.4	V661 D724 D728 G729 L731	V661-L726 HydrophobicContact CG2-CD2 4.06Å; D724-L726 VanDerWaalsContact OD1-C 3.29Å; D724-L726 WeakPolarHBondContact OD1-CA 3Å; D724-L726 PolarHBondContact OD1-N 3.45Å; L726-D728 PolarHBondContact O-N 2.93Å; L726-G729 WeakPolarHBondContact O-CA 3.37Å; L726-G729 PolarHBondContact O-N 2.79Å; L726-L731 HydrophobicContact CD1-CD2 3.55Å; L726-L731 HydrophobicContact CD1-CG 3.88Å
727	Y	90.5	Very high	92.6	Very high	74 Å²	74	38.6 Å²	38.6	29%	0.29	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-58.7	135.2	-173.3	-178.1	-105.2	0	0	0	112.3	G729 K730 H733 L735 I752	Y727-G729 PolarHBondContact O-N 2.63Å; Y727-G729 VanDerWaalsContact O-N 3.11Å; Y727-K730 PolarHBondContact O-N 3.02Å; Y727-H733 WeakPolarHBondContact CB-O 3.36Å; Y727-H733 PolarHBondContact N-O 2.59Å; Y727-L735 HydrophobicContact CD2-CB 3.81Å; Y727-L735 HydrophobicContact CD2-CD1 3.92Å; Y727-L735 HydrophobicContact CD2-CD2 3.89Å; Y727-L735 HydrophobicContact CD2-CG 4.08Å; Y727-L735 HydrophobicContact CE2-CD1 3.77Å; Y727-L735 HydrophobicContact CE2-CD2 4Å; Y727-L735 HydrophobicContact CE2-CG 4.3Å; Y727-L735 HydrophobicContact CG-CB 4.47Å; Y727-I752 HydrophobicContact CD1-CD1 3.57Å; Y727-I752 HydrophobicContact CD1-CG1 4.15Å; Y727-I752 HydrophobicContact CE1-CD1 3.27Å; Y727-I752 HydrophobicContact CE1-CG1 4Å; Y727-I752 HydrophobicContact CG-CD1 4.48Å
728	D	87.1	Confident	92.7	Very high	112 Å²	112	41.5 Å²	41.5	60%	0.599	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	53.4	27	-174.8	-164.7	42	0	0	0	113.6	L726 K730	L726-D728 PolarHBondContact O-N 2.93Å; D728-K730 VanDerWaalsContact C-N 3.3Å; D728-K730 HydrophobicContact CB-CD 4.41Å; D728-K730 PolarHBondContact O-N 3.21Å; D728-K730 WeakPolarHBondContact OD2-CE 3.29Å; D728-K730 IonicContact OD2-NZ 3.36Å; D728-K730 PolarHBondContact OD2-NZ 2.94Å
729	G	87.2	Confident	92.5	Very high	54 Å²	54	43.2 Å²	43.2	56%	0.557	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	69.7	22	-178.1	0	0	0	0	0	114.2	L726 Y727	L726-G729 WeakPolarHBondContact O-CA 3.37Å; L726-G729 PolarHBondContact O-N 2.79Å; Y727-G729 PolarHBondContact O-N 2.63Å; Y727-G729 VanDerWaalsContact O-N 3.11Å
730	K	90.5	Very high	91.3	Very high	121 Å²	121	45.4 Å²	45.4	53%	0.526	24%	0.235	S	C	.	.			trans	-125.1	139.8	-173.3	-66.8	157.5	-171.4	167.2	0	111.4	Y727 D728	Y727-K730 PolarHBondContact O-N 3.02Å; D728-K730 VanDerWaalsContact C-N 3.3Å; D728-K730 HydrophobicContact CB-CD 4.41Å; D728-K730 PolarHBondContact O-N 3.21Å; D728-K730 WeakPolarHBondContact OD2-CE 3.29Å; D728-K730 IonicContact OD2-NZ 3.36Å; D728-K730 PolarHBondContact OD2-NZ 2.94Å
731	L	90.6	Very high	89.5	Confident	78 Å²	78	53.2 Å²	53.2	41%	0.408	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	154.7	171	-65.8	167.9	0	0	0	110.9	E658 L662 L726	E658-L731 HydrophobicContact CG-CD2 3.7Å; L662-L731 HydrophobicContact CD2-CD1 4.01Å; L662-L731 HydrophobicContact CD2-CD2 4.21Å; L662-L731 HydrophobicContact CG-CD2 4.34Å; L726-L731 HydrophobicContact CD1-CD2 3.55Å; L726-L731 HydrophobicContact CD1-CG 3.88Å
732	G	89.8	Confident	87.4	Confident	16 Å²	16	56.3 Å²	56.3	17%	0.165	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	-13.4	173.9	0	0	0	0	0	116	N755	G732-N755 VanDerWaalsContact CA-CG 3.47Å; G732-N755 PolarHBondContact O-N 2.88Å
733	H	94.2	Very high	85.1	Confident	60 Å²	60	63.7 Å²	63.7	28%	0.278	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130.3	-176.9	-75.8	-63.8	0	0	0	112.7	Y727 I752 R758	Y727-H733 WeakPolarHBondContact CB-O 3.36Å; Y727-H733 PolarHBondContact N-O 2.59Å; H733-I752 HydrophobicContact CB-CG2 3.76Å; H733-I752 WeakPolarHBondContact ND1-CG2 3.21Å; H733-R758 PolarHBondContact CE1-NH1 2.79Å; H733-R758 VanDerWaalsContact CE1-NH1 3.27Å; H733-R758 PolarHBondContact NE2-NH1 2.86Å
734	W	96.1	Very high	82.6	Confident	14 Å²	14	70 Å²	70	5%	0.053	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.1	177.5	-70.1	-0.3	0	0	0	111.1	E658 F696 I698 V722 D724 T725 I752 I753 N755 K756 Y813	E658-W734 PolarHBondContact OE2-NE1 3.11Å; F696-W734 HydrophobicContact CE2-CH2 4.13Å; F696-W734 AromaticContact CE2-CZ3 3.94Å; F696-W734 HydrophobicContact CE2-CZ3 3.94Å; F696-W734 HydrophobicContact CZ-CE3 4.36Å; F696-W734 AromaticContact CZ-CH2 3.85Å; F696-W734 HydrophobicContact CZ-CH2 3.85Å; F696-W734 HydrophobicContact CZ-CZ2 4.4Å; F696-W734 AromaticContact CZ-CZ3 3.85Å; F696-W734 HydrophobicContact CZ-CZ3 3.85Å; I698-W734 HydrophobicContact CD1-CE3 4.44Å; I698-W734 HydrophobicContact CD1-CZ3 4.28Å; V722-W734 HydrophobicContact CG1-CB 4.31Å; V722-W734 HydrophobicContact CG1-CD2 4.24Å; V722-W734 HydrophobicContact CG1-CE3 4.1Å; V722-W734 HydrophobicContact CG1-CG 4.4Å; V722-W734 HydrophobicContact CG2-CE3 3.72Å; V722-W734 HydrophobicContact CG2-CZ3 4.04Å; D724-W734 CarbonylContact O-C 3.51Å; D724-W734 WeakPolarHBondContact O-CA 3.44Å; T725-W734 VanDerWaalsContact CA-CD1 3.45Å; T725-W734 HydrophobicContact CG2-CD2 4.26Å; T725-W734 HydrophobicContact CG2-CG 4.46Å; T725-W734 HydrophobicContact CG2-CZ2 4.19Å; T725-W734 PolarHBondContact O-NE1 3.43Å; W734-I752 WeakPolarHBondContact O-CA 3.46Å; W734-I753 HydrophobicContact CB-CG1 3.89Å; W734-I753 HydrophobicContact CE3-CD1 4.39Å; W734-I753 PolarHBondContact N-O 2.73Å; W734-I753 PolarHBondContact O-N 3Å; W734-N755 HydrophobicContact CD2-CB 4.43Å; W734-N755 HydrophobicContact CG-CB 4.26Å; W734-K756 HydrophobicContact CH2-CB 3.76Å; W734-K756 HydrophobicContact CZ2-CB 3.81Å; W734-Y813 HydrophobicContact CE3-CD2 4.28Å; W734-Y813 HydrophobicContact CE3-CE2 4.08Å; W734-Y813 HydrophobicContact CH2-CD2 4.36Å; W734-Y813 AromaticContact CZ3-CD2 3.73Å; W734-Y813 HydrophobicContact CZ3-CD2 3.73Å; W734-Y813 HydrophobicContact CZ3-CE2 4Å
735	L	94	Very high	80.2	Confident	26 Å²	26	71.7 Å²	71.7	14%	0.136	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	109.2	174.4	-173	62.3	0	0	0	109.8	T723 D724 Y727 K750	T723-L735 PolarHBondContact N-O 3.13Å; T723-L735 PolarHBondContact OG1-O 3.3Å; D724-L735 HydrophobicContact CB-CB 3.78Å; D724-L735 HydrophobicContact CB-CD2 4.25Å; D724-L735 PolarHBondContact N-O 3.26Å; D724-L735 PolarHBondContact O-N 3.28Å; Y727-L735 HydrophobicContact CD2-CB 3.81Å; Y727-L735 HydrophobicContact CD2-CD1 3.92Å; Y727-L735 HydrophobicContact CD2-CD2 3.89Å; Y727-L735 HydrophobicContact CD2-CG 4.08Å; Y727-L735 HydrophobicContact CE2-CD1 3.77Å; Y727-L735 HydrophobicContact CE2-CD2 4Å; Y727-L735 HydrophobicContact CE2-CG 4.3Å; Y727-L735 HydrophobicContact CG-CB 4.47Å; L735-K750 HydrophobicContact CD1-CG 4.24Å
736	A	94.6	Very high	78	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	159	-171.9	0	0	0	0	0	112.9	F720 K721 K750 G751 I753	F720-A736 HydrophobicContact CB-CB 4.26Å; F720-A736 HydrophobicContact CD1-CB 4Å; K721-A736 CarbonylContact O-C 3.06Å; K721-A736 VanDerWaalsContact O-CA 3.31Å; K721-A736 WeakPolarHBondContact O-CA 3.27Å; A736-K750 WeakPolarHBondContact O-CA 3.45Å; A736-G751 PolarHBondContact N-O 3.46Å; A736-G751 PolarHBondContact O-N 2.72Å; A736-G751 VanDerWaalsContact O-O 3.13Å; A736-I753 HydrophobicContact CB-CD1 3.63Å; A736-I753 HydrophobicContact CB-CG1 3.9Å; A736-I753 HydrophobicContact CB-CG2 4.31Å
737	I	92.1	Very high	75.8	Confident	48 Å²	48	85 Å²	85	25%	0.246	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.6	174.5	-55	178.3	0	0	0	108.6	F720 K721 T723 M739 K749 K750	F720-I737 CarbonylContact C-O 3.51Å; F720-I737 WeakPolarHBondContact CA-O 3.15Å; K721-I737 HydrophobicContact CB-CB 4.45Å; K721-I737 PolarHBondContact N-O 3.33Å; K721-I737 PolarHBondContact O-N 2.72Å; T723-I737 HydrophobicContact CG2-CD1 3.8Å; T723-I737 HydrophobicContact CG2-CG1 4.09Å; I737-M739 PolarHBondContact O-N 3.26Å; I737-K749 CarbonylContact C-O 3.52Å; I737-K749 WeakPolarHBondContact CA-O 3.32Å; I737-K749 HydrophobicContact CG2-CB 4.19Å; I737-K750 HydrophobicContact CD1-CD 4.25Å; I737-K750 HydrophobicContact CG1-CB 4.1Å; I737-K750 HydrophobicContact CG1-CD 4.06Å; I737-K750 HydrophobicContact CG1-CG 3.89Å
738	R	91.5	Very high	74.2	Confident	88 Å²	88	86.2 Å²	86.2	33%	0.332	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	121	174.5	178.3	170.4	149.8	139	-8.6	109.9	E718 F720 D740 K749	E718-R738 IonicContact OE1-NH1 2.73Å; E718-R738 PolarHBondContact OE1-NH1 3.18Å; E718-R738 VanDerWaalsContact OE1-NH1 3.17Å; E718-R738 IonicContact OE2-CZ 2.72Å; E718-R738 IonicContact OE2-NE 3.55Å; E718-R738 IonicContact OE2-NH1 2.89Å; E718-R738 PolarHBondContact OE2-NH1 3.37Å; F720-R738 HydrophobicContact CD1-CB 4.06Å; F720-R738 HydrophobicContact CE1-CB 3.62Å; F720-R738 HydrophobicContact CE1-CG 4.22Å; F720-R738 HydrophobicContact CZ-CB 4.17Å; F720-R738 HydrophobicContact CZ-CG 4.27Å; R738-D740 VanDerWaalsContact C-N 3.27Å; R738-D740 IonicContact CZ-OD2 2.82Å; R738-D740 VanDerWaalsContact CZ-OD2 3.24Å; R738-D740 IonicContact NE-OD2 2.69Å; R738-D740 PolarHBondContact NE-OD2 3.31Å; R738-D740 IonicContact NH2-OD2 3.73Å; R738-D740 PolarHBondContact NH2-OD2 2.72Å; R738-D740 PolarHBondContact O-N 3.48Å; R738-D740 VanDerWaalsContact O-N 3.09Å; R738-K749 PolarHBondContact N-O 2.94Å
739	M	87.3	Confident	73.5	Confident	79 Å²	79	83.2 Å²	83.2	39%	0.389	44%	0.44	S	S	.	.			trans	-87.1	69.7	177.8	-61.9	-58.2	-59.2	0	0	109.5	Y697 I719 K721 I737	Y697-M739 HydrophobicContact CD1-CG 4.02Å; Y697-M739 HydrophobicContact CE1-CE 4.06Å; Y697-M739 HydrophobicContact CE1-CG 3.96Å; Y697-M739 HydrophobicContact CE1-SD 3.92Å; I719-M739 HydrophobicContact CB-CB 4.14Å; I719-M739 HydrophobicContact CG2-CB 4.02Å; I719-M739 HydrophobicContact CG2-CG 4.19Å; I719-M739 WeakPolarHBondContact O-CB 3.48Å; I719-M739 PolarHBondContact O-N 3.05Å; K721-M739 HydrophobicContact CB-CG 4.36Å; K721-M739 HydrophobicContact CB-SD 4.08Å; I737-M739 PolarHBondContact O-N 3.26Å
740	D	67.5	Low	73.5	Confident	64 Å²	64	85.9 Å²	85.9	34%	0.342	44%	0.436	S	S	.	.			trans	-66	140.5	178	-146.4	-54.4	0	0	0	111.6	R738 D742	R738-D740 VanDerWaalsContact C-N 3.27Å; R738-D740 IonicContact CZ-OD2 2.82Å; R738-D740 VanDerWaalsContact CZ-OD2 3.24Å; R738-D740 IonicContact NE-OD2 2.69Å; R738-D740 PolarHBondContact NE-OD2 3.31Å; R738-D740 IonicContact NH2-OD2 3.73Å; R738-D740 PolarHBondContact NH2-OD2 2.72Å; R738-D740 PolarHBondContact O-N 3.48Å; R738-D740 VanDerWaalsContact O-N 3.09Å; D740-D742 PolarHBondContact OD1-N 3.42Å
741	Q	56.6	Low	73.6	Confident	164 Å²	164	80.5 Å²	80.5	77%	0.766	42%	0.415	S	S	*	.	S	Bend	trans	-82.2	-22.1	-177.4	-151.9	164.8	22.5	0	0	111.6
742	D	51.9	Low	73.7	Confident	114 Å²	114	77.2 Å²	77.2	61%	0.61	40%	0.397	S	S	*	.	S	Bend	trans	-107.1	143.1	172.4	-86.4	-51.1	0	0	0	112.4	D740 Q744	D740-D742 PolarHBondContact OD1-N 3.42Å; D742-Q744 PolarHBondContact O-N 3.04Å
743	N	48	Very low	74	Confident	155 Å²	155	76.4 Å²	76.4	83%	0.829	39%	0.39	S	S	*	.			trans	-85.6	41.5	-165.5	-113.1	-27	0	0	0	114.7
744	Q	41.2	Very low	74.1	Confident	157 Å²	157	73.6 Å²	73.6	73%	0.734	38%	0.376	S	S	*	.			trans	-93.2	116.1	-175.9	-60.6	-165.6	33.7	0	0	113.3	D742	D742-Q744 PolarHBondContact O-N 3.04Å
745	S	44.5	Very low	74	Confident	64 Å²	64	73.7 Å²	73.7	45%	0.448	38%	0.378	S	S	.	.			trans	62.6	135.4	174.8	78	0	0	0	0	117	K749	S745-K749 VanDerWaalsContact O-CE 3.32Å; S745-K749 WeakPolarHBondContact O-CE 3.31Å
746	P	49.7	Very low	74.1	Confident	115 Å²	115	77.7 Å²	77.7	75%	0.747	39%	0.394	S	S	*	.	S	Bend	trans	-85.6	-28	175	32.3	-33.1	0	0	0	113.5	V748 K749	P746-V748 PolarHBondContact O-N 3.37Å; P746-K749 PolarHBondContact O-N 2.98Å
747	E	47.7	Very low	74	Confident	182 Å²	182	80.6 Å²	80.6	85%	0.85	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-27.2	-167.8	-62.9	-175.6	138.6	0	0	114.2
748	V	57.1	Low	74.1	Confident	100 Å²	100	82.1 Å²	82.1	61%	0.606	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.4	-178.1	-168.9	0	0	0	0	112.1	P746	P746-V748 PolarHBondContact O-N 3.37Å
749	K	71.3	Confident	74.3	Confident	48 Å²	48	77.9 Å²	77.9	21%	0.209	40%	0.402	C	S	.	.	S	Bend	trans	-74.6	-31.3	-168.8	-64.2	-161.4	174.4	-164.2	0	114.4	I737 R738 S745 P746	I737-K749 CarbonylContact C-O 3.52Å; I737-K749 WeakPolarHBondContact CA-O 3.32Å; I737-K749 HydrophobicContact CG2-CB 4.19Å; R738-K749 PolarHBondContact N-O 2.94Å; S745-K749 VanDerWaalsContact O-CE 3.32Å; S745-K749 WeakPolarHBondContact O-CE 3.31Å; P746-K749 PolarHBondContact O-N 2.98Å
750	K	88	Confident	74.6	Confident	110 Å²	110	77 Å²	77	48%	0.478	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.5	-176.1	-170.9	169.4	-172.4	178.7	0	112.2	L735 A736 I737	L735-K750 HydrophobicContact CD1-CG 4.24Å; A736-K750 WeakPolarHBondContact O-CA 3.45Å; I737-K750 HydrophobicContact CD1-CD 4.25Å; I737-K750 HydrophobicContact CG1-CB 4.1Å; I737-K750 HydrophobicContact CG1-CD 4.06Å; I737-K750 HydrophobicContact CG1-CG 3.89Å
751	G	91.3	Very high	75.8	Confident	8 Å²	8	79.8 Å²	79.8	8%	0.082	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	-169.5	-179.9	0	0	0	0	0	112.9	Q710 A736	Q710-G751 WeakPolarHBondContact O-CA 3.3Å; A736-G751 PolarHBondContact N-O 3.46Å; A736-G751 PolarHBondContact O-N 2.72Å; A736-G751 VanDerWaalsContact O-O 3.13Å
752	I	94.1	Very high	77.4	Confident	9 Å²	9	74.7 Å²	74.7	5%	0.046	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.7	-173.8	-54.7	-177.9	0	0	0	111.5	Q710 S711 L712 Y727 H733 W734	Q710-I752 VanDerWaalsContact CD-CD1 3.42Å; Q710-I752 HydrophobicContact CG-CD1 3.67Å; Q710-I752 HydrophobicContact CG-CG1 4.26Å; Q710-I752 PolarHBondContact O-N 3.37Å; S711-I752 CarbonylContact C-O 3.54Å; S711-I752 WeakPolarHBondContact CA-O 3.45Å; S711-I752 WeakPolarHBondContact CB-O 3.36Å; L712-I752 PolarHBondContact N-O 2.75Å; Y727-I752 HydrophobicContact CD1-CD1 3.57Å; Y727-I752 HydrophobicContact CD1-CG1 4.15Å; Y727-I752 HydrophobicContact CE1-CD1 3.27Å; Y727-I752 HydrophobicContact CE1-CG1 4Å; Y727-I752 HydrophobicContact CG-CD1 4.48Å; H733-I752 HydrophobicContact CB-CG2 3.76Å; H733-I752 WeakPolarHBondContact ND1-CG2 3.21Å; W734-I752 WeakPolarHBondContact O-CA 3.46Å
753	I	95.8	Very high	79.2	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	161.7	163.8	63.2	176.9	0	0	0	109.9	I698 L712 F714 F720 W734 A736 Y813	I698-I753 HydrophobicContact CD1-CD1 3.71Å; L712-I753 HydrophobicContact CB-CG2 4.2Å; F714-I753 HydrophobicContact CD1-CG2 4.16Å; F714-I753 HydrophobicContact CE1-CB 4.14Å; F714-I753 HydrophobicContact CE1-CG2 3.83Å; F720-I753 HydrophobicContact CE1-CG2 4.47Å; W734-I753 HydrophobicContact CB-CG1 3.89Å; W734-I753 HydrophobicContact CE3-CD1 4.39Å; W734-I753 PolarHBondContact N-O 2.73Å; W734-I753 PolarHBondContact O-N 3Å; A736-I753 HydrophobicContact CB-CD1 3.63Å; A736-I753 HydrophobicContact CB-CG1 3.9Å; A736-I753 HydrophobicContact CB-CG2 4.31Å; I753-Y813 HydrophobicContact CD1-CE2 4.43Å
754	P	95.9	Very high	81.1	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	148.4	168.9	-25.3	35.6	0	0	0	111.9	Y704 R758 A759 M762 Y813	Y704-P754 HydrophobicContact CD2-CG 3.84Å; Y704-P754 HydrophobicContact CE1-CG 4.35Å; Y704-P754 HydrophobicContact CE2-CG 3.4Å; Y704-P754 HydrophobicContact CG-CG 4.49Å; P754-R758 HydrophobicContact CB-CB 4.04Å; P754-R758 HydrophobicContact CB-CG 3.95Å; P754-A759 HydrophobicContact CB-CB 4.41Å; P754-M762 HydrophobicContact CG-SD 4.13Å; P754-Y813 VanDerWaalsContact O-CE2 3.25Å; P754-Y813 WeakPolarHBondContact O-CE2 3.32Å; P754-Y813 PolarHBondContact O-OH 3.48Å
755	N	95.2	Very high	83.4	Confident	17 Å²	17	64.9 Å²	64.9	9%	0.091	34%	0.341	C	S	.	.			trans	-66.5	169.6	167.7	79.2	-17.4	0	0	0	111.8	E658 G732 W734 S757 R758 A759	E658-N755 PolarHBondContact OE1-ND2 2.81Å; G732-N755 VanDerWaalsContact CA-CG 3.47Å; G732-N755 PolarHBondContact O-N 2.88Å; W734-N755 HydrophobicContact CD2-CB 4.43Å; W734-N755 HydrophobicContact CG-CB 4.26Å; N755-S757 PolarHBondContact O-N 3.26Å; N755-R758 PolarHBondContact O-N 3.49Å; N755-R758 VanDerWaalsContact OD1-CB 3.26Å; N755-R758 WeakPolarHBondContact OD1-CB 3.37Å; N755-R758 PolarHBondContact OD1-N 3.09Å; N755-A759 WeakPolarHBondContact O-CB 3.35Å; N755-A759 PolarHBondContact O-N 3.11Å
756	K	94.4	Very high	85.2	Confident	109 Å²	109	63.5 Å²	63.5	47%	0.474	33%	0.328	S	S	.	.	H	α-helix	trans	-50.2	-51.2	-179.1	-179.1	-177.2	171	-171.3	0	113	W734 R758 A759 E760	W734-K756 HydrophobicContact CH2-CB 3.76Å; W734-K756 HydrophobicContact CZ2-CB 3.81Å; K756-R758 PolarHBondContact O-N 2.95Å; K756-A759 WeakPolarHBondContact O-CB 3.3Å; K756-A759 PolarHBondContact O-N 3.31Å; K756-E760 WeakPolarHBondContact CE-OE1 3.4Å; K756-E760 WeakPolarHBondContact CG-OE1 3.44Å; K756-E760 WeakPolarHBondContact O-CG 3.4Å; K756-E760 PolarHBondContact O-N 2.91Å
757	S	93.8	Very high	86.6	Confident	62 Å²	62	60.5 Å²	60.5	43%	0.434	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-45.4	-176.7	-178.7	0	0	0	0	112.5	N755 E760 Q761	N755-S757 PolarHBondContact O-N 3.26Å; S757-E760 PolarHBondContact O-N 2.96Å; S757-Q761 VanDerWaalsContact O-CG 3.32Å; S757-Q761 WeakPolarHBondContact O-CG 3.25Å; S757-Q761 PolarHBondContact O-N 3.31Å
758	R	94.5	Very high	87.9	Confident	79 Å²	79	54.8 Å²	54.8	30%	0.298	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-40	175.8	-175.9	175.6	175.4	164.2	4	111.8	E707 H733 P754 N755 K756 Q761 M762	E707-R758 IonicContact OE1-CZ 3.2Å; E707-R758 IonicContact OE1-NE 3.04Å; E707-R758 IonicContact OE1-NH2 3.41Å; E707-R758 PolarHBondContact OE1-NH2 3.34Å; E707-R758 IonicContact OE2-CZ 2.76Å; E707-R758 IonicContact OE2-NE 3.35Å; E707-R758 IonicContact OE2-NH2 3.13Å; E707-R758 PolarHBondContact OE2-NH2 3.04Å; H733-R758 PolarHBondContact CE1-NH1 2.79Å; H733-R758 VanDerWaalsContact CE1-NH1 3.27Å; H733-R758 PolarHBondContact NE2-NH1 2.86Å; P754-R758 HydrophobicContact CB-CB 4.04Å; P754-R758 HydrophobicContact CB-CG 3.95Å; N755-R758 PolarHBondContact O-N 3.49Å; N755-R758 VanDerWaalsContact OD1-CB 3.26Å; N755-R758 WeakPolarHBondContact OD1-CB 3.37Å; N755-R758 PolarHBondContact OD1-N 3.09Å; K756-R758 PolarHBondContact O-N 2.95Å; R758-Q761 PolarHBondContact O-N 2.63Å; R758-M762 HydrophobicContact CG-CG 4.5Å; R758-M762 HydrophobicContact CG-SD 4.11Å; R758-M762 VanDerWaalsContact O-CG 3.28Å; R758-M762 WeakPolarHBondContact O-CG 3.35Å; R758-M762 PolarHBondContact O-N 3.14Å
759	A	94.9	Very high	88.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-43.2	176	0	0	0	0	0	112.3	F702 P754 N755 K756 M762 A763 A812 Y813	F702-A759 HydrophobicContact CE1-CB 3.76Å; F702-A759 HydrophobicContact CZ-CB 3.77Å; P754-A759 HydrophobicContact CB-CB 4.41Å; N755-A759 WeakPolarHBondContact O-CB 3.35Å; N755-A759 PolarHBondContact O-N 3.11Å; K756-A759 WeakPolarHBondContact O-CB 3.3Å; K756-A759 PolarHBondContact O-N 3.31Å; A759-M762 PolarHBondContact O-N 2.9Å; A759-A763 WeakPolarHBondContact O-CB 3.35Å; A759-A763 PolarHBondContact O-N 3Å; A759-A812 VanDerWaalsContact C-CB 3.49Å; A759-A812 HydrophobicContact CB-CB 4Å; A759-A812 WeakPolarHBondContact O-CB 3.05Å; A759-Y813 HydrophobicContact CB-CD1 4.46Å; A759-Y813 HydrophobicContact CB-CD2 3.96Å; A759-Y813 HydrophobicContact CB-CE1 4Å; A759-Y813 HydrophobicContact CB-CE2 3.44Å; A759-Y813 VanDerWaalsContact CB-CE2 3.44Å; A759-Y813 HydrophobicContact CB-CG 4.44Å; A759-Y813 VanDerWaalsContact CB-CZ 3.46Å
760	E	93.5	Very high	88.1	Confident	61 Å²	61	55.1 Å²	55.1	29%	0.285	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-41.6	175.5	-73.4	170.9	176.8	0	0	112	K756 S757 N764 A812	K756-E760 WeakPolarHBondContact CE-OE1 3.4Å; K756-E760 WeakPolarHBondContact CG-OE1 3.44Å; K756-E760 WeakPolarHBondContact O-CG 3.4Å; K756-E760 PolarHBondContact O-N 2.91Å; S757-E760 PolarHBondContact O-N 2.96Å; E760-N764 VanDerWaalsContact O-CB 3.32Å; E760-N764 WeakPolarHBondContact O-CB 3.36Å; E760-N764 PolarHBondContact O-N 2.81Å; E760-N764 PolarHBondContact O-ND2 2.9Å; E760-N764 VanDerWaalsContact O-ND2 3.12Å; E760-A812 HydrophobicContact CB-CB 4.48Å; E760-A812 HydrophobicContact CG-CB 3.92Å
761	Q	92.4	Very high	86.5	Confident	121 Å²	121	52.7 Å²	52.7	57%	0.565	29%	0.29	S	S	*	.	H	α-helix	trans	-60.6	-47	172.9	-69	169.9	18.9	0	0	112	S757 R758 N764 V765	S757-Q761 VanDerWaalsContact O-CG 3.32Å; S757-Q761 WeakPolarHBondContact O-CG 3.25Å; S757-Q761 PolarHBondContact O-N 3.31Å; R758-Q761 PolarHBondContact O-N 2.63Å; Q761-N764 PolarHBondContact O-N 3.43Å; Q761-V765 WeakPolarHBondContact O-CG2 3.35Å; Q761-V765 PolarHBondContact O-N 2.72Å
762	M	90.9	Very high	84.7	Confident	58 Å²	58	55.5 Å²	55.5	29%	0.286	31%	0.312	S	S	.	.	H	α-helix	trans	-65.2	-42.1	179.5	-67.8	178.7	86.6	0	0	112.3	F702 Y704 P754 R758 A759 V765 Q766	F702-M762 HydrophobicContact CD2-CB 4.44Å; F702-M762 HydrophobicContact CE2-CB 3.95Å; Y704-M762 HydrophobicContact CD2-CE 3.72Å; Y704-M762 HydrophobicContact CD2-SD 4.11Å; Y704-M762 HydrophobicContact CE2-CE 3.8Å; Y704-M762 HydrophobicContact CE2-SD 4.12Å; P754-M762 HydrophobicContact CG-SD 4.13Å; R758-M762 HydrophobicContact CG-CG 4.5Å; R758-M762 HydrophobicContact CG-SD 4.11Å; R758-M762 VanDerWaalsContact O-CG 3.28Å; R758-M762 WeakPolarHBondContact O-CG 3.35Å; R758-M762 PolarHBondContact O-N 3.14Å; A759-M762 PolarHBondContact O-N 2.9Å; M762-V765 PolarHBondContact O-N 3.12Å; M762-Q766 WeakPolarHBondContact O-CB 3.47Å; M762-Q766 PolarHBondContact O-N 3.35Å
763	A	90.1	Very high	82.7	Confident	8 Å²	8	59.8 Å²	59.8	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-42.3	174.7	0	0	0	0	0	112.1	F702 A759 Q766 N767 A812	F702-A763 HydrophobicContact CB-CB 3.74Å; F702-A763 HydrophobicContact CD1-CB 4.15Å; F702-A763 HydrophobicContact CD2-CB 4.37Å; F702-A763 HydrophobicContact CG-CB 3.84Å; A759-A763 WeakPolarHBondContact O-CB 3.35Å; A759-A763 PolarHBondContact O-N 3Å; A763-Q766 PolarHBondContact O-N 3.09Å; A763-N767 WeakPolarHBondContact O-CB 3.42Å; A763-N767 VanDerWaalsContact O-CG 3.3Å; A763-N767 PolarHBondContact O-N 3.11Å; A763-N767 PolarHBondContact O-ND2 3.09Å; A763-A812 HydrophobicContact CB-CB 3.73Å
764	N	87.7	Confident	80.5	Confident	107 Å²	107	62.4 Å²	62.4	57%	0.572	37%	0.37	S	S	*	.	H	α-helix	trans	-64.2	-41.7	176.8	-75.8	-28.6	0	0	0	112.2	E760 Q761 N767 A768	E760-N764 VanDerWaalsContact O-CB 3.32Å; E760-N764 WeakPolarHBondContact O-CB 3.36Å; E760-N764 PolarHBondContact O-N 2.81Å; E760-N764 PolarHBondContact O-ND2 2.9Å; E760-N764 VanDerWaalsContact O-ND2 3.12Å; Q761-N764 PolarHBondContact O-N 3.43Å; N764-N767 PolarHBondContact O-N 3.36Å; N764-A768 VanDerWaalsContact O-CB 3.29Å; N764-A768 WeakPolarHBondContact O-CB 3.42Å; N764-A768 PolarHBondContact O-N 2.9Å
765	V	88.1	Confident	78	Confident	104 Å²	104	68.9 Å²	68.9	63%	0.63	41%	0.405	S	S	*	.	H	α-helix	trans	-63.2	-44.1	173.8	171.5	0	0	0	0	111.4	Q761 M762 N767 A768 A769	Q761-V765 WeakPolarHBondContact O-CG2 3.35Å; Q761-V765 PolarHBondContact O-N 2.72Å; M762-V765 PolarHBondContact O-N 3.12Å; V765-N767 PolarHBondContact O-N 3.09Å; V765-A768 PolarHBondContact O-N 3.45Å; V765-A769 WeakPolarHBondContact O-CB 3.42Å; V765-A769 PolarHBondContact O-N 2.95Å
766	Q	83.3	Confident	75.4	Confident	36 Å²	36	72.9 Å²	72.9	17%	0.168	43%	0.426	C	S	.	.	H	α-helix	trans	-62.4	-41.2	177.5	-175.3	174.8	99.2	0	0	112.1	E703 M762 A763 R770	E703-Q766 PolarHBondContact O-NE2 3.33Å; M762-Q766 WeakPolarHBondContact O-CB 3.47Å; M762-Q766 PolarHBondContact O-N 3.35Å; A763-Q766 PolarHBondContact O-N 3.09Å; Q766-R770 WeakPolarHBondContact O-CB 3.36Å; Q766-R770 WeakPolarHBondContact O-CG 3.35Å; Q766-R770 PolarHBondContact O-N 2.83Å; Q766-R770 VanDerWaalsContact O-N 3.14Å
767	N	78.1	Confident	73.1	Confident	52 Å²	52	78.1 Å²	78.1	28%	0.278	44%	0.443	S	S	.	.	H	α-helix	trans	-68.2	-43	176.3	-73.2	-27.7	0	0	0	111.8	A763 N764 V765 R770 A771	A763-N767 WeakPolarHBondContact O-CB 3.42Å; A763-N767 VanDerWaalsContact O-CG 3.3Å; A763-N767 PolarHBondContact O-N 3.11Å; A763-N767 PolarHBondContact O-ND2 3.09Å; N764-N767 PolarHBondContact O-N 3.36Å; V765-N767 PolarHBondContact O-N 3.09Å; N767-R770 PolarHBondContact O-N 2.8Å; N767-A771 WeakPolarHBondContact O-CB 3.25Å; N767-A771 PolarHBondContact O-N 3.47Å
768	A	74.8	Confident	71	Confident	61 Å²	61	76.6 Å²	76.6	50%	0.504	44%	0.437	S	S	.	.	H	α-helix	trans	-64.7	-42.6	177.8	0	0	0	0	0	112.5	N764 V765 A771 A772	N764-A768 VanDerWaalsContact O-CB 3.29Å; N764-A768 WeakPolarHBondContact O-CB 3.42Å; N764-A768 PolarHBondContact O-N 2.9Å; V765-A768 PolarHBondContact O-N 3.45Å; A768-A771 PolarHBondContact O-N 2.94Å; A768-A772 PolarHBondContact O-N 2.97Å
769	A	69.8	Low	68.7	Low	54 Å²	54	74.4 Å²	74.4	45%	0.446	43%	0.431	S	S	.	.	H	α-helix	trans	-61.9	-47.6	175.8	0	0	0	0	0	111.7	V765 A771 A772 S773	V765-A769 WeakPolarHBondContact O-CB 3.42Å; V765-A769 PolarHBondContact O-N 2.95Å; A769-A771 VanDerWaalsContact C-N 3.3Å; A769-A771 PolarHBondContact O-N 2.76Å; A769-A772 PolarHBondContact O-N 3.5Å; A769-S773 PolarHBondContact O-N 3.4Å; A769-S773 VanDerWaalsContact O-N 3.09Å; A769-S773 PolarHBondContact O-OG 3.28Å
770	R	62.9	Low	66.1	Low	102 Å²	102	81 Å²	81	39%	0.385	46%	0.46	S	S	.	.	H	α-helix	trans	-64.6	-31.9	177	-70.5	176.5	179.8	177	2.3	112.4	E703 Q766 N767 P805	E703-R770 IonicContact OE2-CZ 3.16Å; E703-R770 IonicContact OE2-NH1 2.7Å; E703-R770 IonicContact OE2-NH2 2.78Å; E703-R770 PolarHBondContact OE2-NH2 2.71Å; Q766-R770 WeakPolarHBondContact O-CB 3.36Å; Q766-R770 WeakPolarHBondContact O-CG 3.35Å; Q766-R770 PolarHBondContact O-N 2.83Å; Q766-R770 VanDerWaalsContact O-N 3.14Å; N767-R770 PolarHBondContact O-N 2.8Å; R770-P805 HydrophobicContact CB-CG 4.41Å
771	A	55.7	Low	63.8	Low	58 Å²	58	86.2 Å²	86.2	48%	0.479	48%	0.478	S	S	.	.	H	α-helix	trans	-70.5	-38.4	172.9	0	0	0	0	0	113	N767 A768 A769 G774	N767-A771 WeakPolarHBondContact O-CB 3.25Å; N767-A771 PolarHBondContact O-N 3.47Å; A768-A771 PolarHBondContact O-N 2.94Å; A769-A771 VanDerWaalsContact C-N 3.3Å; A769-A771 PolarHBondContact O-N 2.76Å; A771-G774 PolarHBondContact O-N 3.05Å
772	A	53	Low	62.2	Low	67 Å²	67	85.7 Å²	85.7	55%	0.554	47%	0.47	S	S	*	.	H	α-helix	trans	-64.4	-42.9	176.2	0	0	0	0	0	112	A768 A769 G774 N775	A768-A772 PolarHBondContact O-N 2.97Å; A769-A772 PolarHBondContact O-N 3.5Å; A772-G774 PolarHBondContact O-N 3.3Å; A772-N775 PolarHBondContact O-N 2.87Å
773	S	52.8	Low	60.2	Low	100 Å²	100	89 Å²	89	70%	0.699	49%	0.488	S	S	*	.	H	α-helix	trans	-61.1	-23.5	176.7	-58.4	0	0	0	0	114.3	A769	A769-S773 PolarHBondContact O-N 3.4Å; A769-S773 VanDerWaalsContact O-N 3.09Å; A769-S773 PolarHBondContact O-OG 3.28Å
774	G	47.8	Very low	58.3	Low	54 Å²	54	97.2 Å²	97.2	56%	0.557	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.5	178.9	0	0	0	0	0	115.2	A771 A772	A771-G774 PolarHBondContact O-N 3.05Å; A772-G774 PolarHBondContact O-N 3.3Å
775	N	44.4	Very low	56.4	Low	137 Å²	137	95 Å²	95	73%	0.733	52%	0.52	S	S	*	.			trans	-134.9	28.5	-164	-140.8	42.5	0	0	0	113.9	A772 R777	A772-N775 PolarHBondContact O-N 2.87Å; N775-R777 PolarHBondContact O-N 3.4Å
776	D	40.6	Very low	54.5	Low	100 Å²	100	95.9 Å²	95.9	54%	0.535	52%	0.517	S	S	.	.			trans	-68.9	110.5	-177.7	-170.3	-6.1	0	0	0	112.2	G778 D779	D776-G778 PolarHBondContact O-N 3.08Å; D776-G778 VanDerWaalsContact O-N 3.14Å; D776-G778 PolarHBondContact OD1-N 2.79Å; D776-D779 PolarHBondContact O-N 2.82Å
777	R	46.4	Very low	52.7	Low	219 Å²	219	105.9 Å²	105.9	83%	0.826	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-14.4	176	-75.2	177.5	165.8	141.9	-6.7	113.4	N775 D779	N775-R777 PolarHBondContact O-N 3.4Å; R777-D779 VanDerWaalsContact C-N 3.28Å; R777-D779 PolarHBondContact O-N 2.86Å
778	G	48.5	Very low	51.1	Low	30 Å²	30	108.3 Å²	108.3	31%	0.309	58%	0.581	S	S	.	*	H	α-helix	trans	-59.7	-35.5	172.1	0	0	0	0	0	113.1	D776 F780 W781 R782	D776-G778 PolarHBondContact O-N 3.08Å; D776-G778 VanDerWaalsContact O-N 3.14Å; D776-G778 PolarHBondContact OD1-N 2.79Å; G778-F780 VanDerWaalsContact C-N 3.34Å; G778-F780 PolarHBondContact O-N 2.82Å; G778-W781 PolarHBondContact O-N 2.84Å; G778-R782 WeakPolarHBondContact O-CB 3.46Å; G778-R782 PolarHBondContact O-N 3.3Å
779	D	47.5	Very low	49.4	Very low	34 Å²	34	109.8 Å²	109.8	18%	0.182	59%	0.593	C	S	.	*	H	α-helix	trans	-60	-40.6	-176.6	-85.1	54.1	0	0	0	113.1	D776 R777 W781 R782 L783	D776-D779 PolarHBondContact O-N 2.82Å; R777-D779 VanDerWaalsContact C-N 3.28Å; R777-D779 PolarHBondContact O-N 2.86Å; D779-W781 VanDerWaalsContact C-N 3.31Å; D779-W781 PolarHBondContact O-N 2.82Å; D779-R782 PolarHBondContact O-N 3.39Å; D779-R782 IonicContact OD1-CZ 3.58Å; D779-R782 IonicContact OD1-NH1 3.69Å; D779-R782 PolarHBondContact OD1-NH1 2.93Å; D779-R782 IonicContact OD1-NH2 3.13Å; D779-R782 PolarHBondContact OD1-NH2 2.78Å; D779-R782 IonicContact OD2-CZ 3.7Å; D779-R782 IonicContact OD2-NH2 2.74Å; D779-R782 PolarHBondContact OD2-NH2 2.81Å; D779-L783 PolarHBondContact O-N 2.8Å
780	F	39.6	Very low	47.9	Very low	139 Å²	139	117.1 Å²	117.1	61%	0.61	62%	0.615	S	S	*	*	H	α-helix	trans	-58.8	-41.2	180	-178.3	-99.3	0	0	0	112.5	G778	G778-F780 VanDerWaalsContact C-N 3.34Å; G778-F780 PolarHBondContact O-N 2.82Å
781	W	45.1	Very low	47.3	Very low	170 Å²	170	122.7 Å²	122.7	64%	0.644	64%	0.642	S	S	*	*	H	α-helix	trans	-78.6	-37.2	176.7	-64.8	107	0	0	0	112	G778 D779 L783 R784 G785	G778-W781 PolarHBondContact O-N 2.84Å; D779-W781 VanDerWaalsContact C-N 3.31Å; D779-W781 PolarHBondContact O-N 2.82Å; W781-L783 VanDerWaalsContact C-N 3.33Å; W781-L783 PolarHBondContact O-N 2.79Å; W781-R784 PolarHBondContact O-N 2.75Å; W781-R784 VanDerWaalsContact O-N 3.15Å; W781-G785 PolarHBondContact O-N 3.41Å
782	R	58.9	Low	46.9	Very low	110 Å²	110	128 Å²	128	42%	0.415	65%	0.654	S	S	.	*	H	α-helix	trans	-62.5	-37.6	178.6	-148.3	162.5	68.1	-112.8	-4.4	112.1	G778 D779 G785	G778-R782 WeakPolarHBondContact O-CB 3.46Å; G778-R782 PolarHBondContact O-N 3.3Å; D779-R782 PolarHBondContact O-N 3.39Å; D779-R782 IonicContact OD1-CZ 3.58Å; D779-R782 IonicContact OD1-NH1 3.69Å; D779-R782 PolarHBondContact OD1-NH1 2.93Å; D779-R782 IonicContact OD1-NH2 3.13Å; D779-R782 PolarHBondContact OD1-NH2 2.78Å; D779-R782 IonicContact OD2-CZ 3.7Å; D779-R782 IonicContact OD2-NH2 2.74Å; D779-R782 PolarHBondContact OD2-NH2 2.81Å; R782-G785 PolarHBondContact O-N 3.01Å
783	L	48.8	Very low	46	Very low	127 Å²	127	131.3 Å²	131.3	67%	0.665	66%	0.663	S	S	*	*	H	α-helix	trans	-68.4	-30.1	174.7	-99.5	64.6	0	0	0	113.8	D779 W781 G785	D779-L783 PolarHBondContact O-N 2.8Å; W781-L783 VanDerWaalsContact C-N 3.33Å; W781-L783 PolarHBondContact O-N 2.79Å; L783-G785 VanDerWaalsContact C-N 3.32Å; L783-G785 PolarHBondContact O-N 3.41Å
784	R	51.6	Low	45.2	Very low	180 Å²	180	133.1 Å²	133.1	68%	0.679	66%	0.664	S	S	*	*	H	α-helix	trans	-70	-29	177.5	-174.2	174.6	-79.1	-158.5	-2.3	112.3	W781	W781-R784 PolarHBondContact O-N 2.75Å; W781-R784 VanDerWaalsContact O-N 3.15Å
785	G	46.1	Very low	45	Very low	60 Å²	60	141.4 Å²	141.4	62%	0.619	68%	0.678	S	S	*	*	H	α-helix	trans	-79.2	-24.9	-179	0	0	0	0	0	115.8	W781 R782 L783 R787	W781-G785 PolarHBondContact O-N 3.41Å; R782-G785 PolarHBondContact O-N 3.01Å; L783-G785 VanDerWaalsContact C-N 3.32Å; L783-G785 PolarHBondContact O-N 3.41Å; G785-R787 PolarHBondContact O-N 3.44Å
786	Q	48.7	Very low	44.6	Very low	124 Å²	124	143.8 Å²	143.8	58%	0.579	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	60.9	-169.2	-66.8	-167.7	6.7	0	0	114.5
787	R	45.6	Very low	44.3	Very low	245 Å²	245	143 Å²	143	93%	0.925	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	-2.3	167	-65.1	-165.5	-176.8	-150	1.2	115.2	G785	G785-R787 PolarHBondContact O-N 3.44Å
788	A	44.4	Very low	43.8	Very low	103 Å²	103	139.1 Å²	139.1	85%	0.851	67%	0.67	S	S	*	*	S	Bend	trans	-118.6	-3.5	-171.2	0	0	0	0	0	115.9
789	A	38.7	Very low	43.3	Very low	92 Å²	92	142.1 Å²	142.1	76%	0.76	68%	0.676	S	S	*	*	S	Bend	trans	-115.5	141.1	-174.8	0	0	0	0	0	112.8
790	K	39.6	Very low	42.7	Very low	208 Å²	208	146 Å²	146	90%	0.904	70%	0.697	S	S	*	*			trans	-65.1	149.5	-163.5	-65	178	177.5	178.9	0	115	K792	K790-K792 PolarHBondContact O-N 2.74Å
791	K	49.9	Very low	42.5	Very low	219 Å²	219	144.5 Å²	144.5	95%	0.952	69%	0.694	S	S	*	*	S	Bend	trans	-49	98.9	165.2	-76.3	-180	172.8	177.6	0	112.6
792	K	46.4	Very low	42.1	Very low	169 Å²	169	137.9 Å²	137.9	74%	0.735	67%	0.674	S	S	*	*	S	Bend	trans	-161.1	160.3	143.4	-138.4	175.6	177.1	177.6	0	110.4	K790 L794	K790-K792 PolarHBondContact O-N 2.74Å; K792-L794 VanDerWaalsContact C-N 3.27Å; K792-L794 PolarHBondContact O-N 3.31Å
793	D	35.3	Very low	41.4	Very low	138 Å²	138	136.9 Å²	136.9	74%	0.738	68%	0.68	S	S	*	*			trans	62.8	11.3	165.8	-49.6	-37.4	0	0	0	118.7	R795	D793-R795 PolarHBondContact O-N 2.88Å
794	L	36	Very low	41	Very low	138 Å²	138	134.1 Å²	134.1	72%	0.723	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	29.1	174.3	-124.3	169.2	0	0	0	114.8	K792	K792-L794 VanDerWaalsContact C-N 3.27Å; K792-L794 PolarHBondContact O-N 3.31Å
795	R	42.2	Very low	40.6	Very low	228 Å²	228	128 Å²	128	86%	0.86	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	14.8	-169.4	-87.4	-172.1	175.4	158.9	0.8	115.8	D793	D793-R795 PolarHBondContact O-N 2.88Å
796	K	37.7	Very low	40.7	Very low	187 Å²	187	126.7 Å²	126.7	81%	0.813	64%	0.639	S	S	*	*	S	Bend	trans	-134.5	10	-178.1	-79.8	-171.3	171.5	-174.7	0	115.9
797	S	33.3	Very low	40.8	Very low	84 Å²	84	125.1 Å²	125.1	59%	0.587	64%	0.638	S	S	*	*	S	Bend	trans	-131.5	-5.9	-177.5	167.2	0	0	0	0	113.6
798	R	35.1	Very low	41.5	Very low	136 Å²	136	114.6 Å²	114.6	51%	0.513	60%	0.601	S	S	.	*	S	Bend	trans	-91	-9	179	-168.1	171.2	-177.5	-167.3	0.5	112.8
799	E	38.6	Very low	43	Very low	93 Å²	93	114.2 Å²	114.2	44%	0.435	58%	0.58	S	S	.	*	S	Bend	trans	-81.3	-36.8	-171.1	-62.6	178	95.8	0	0	111.8	L801 S802 R939	E799-L801 VanDerWaalsContact C-N 3.34Å; E799-L801 PolarHBondContact O-N 2.81Å; E799-S802 PolarHBondContact O-N 2.91Å; E799-S802 PolarHBondContact O-OG 3.44Å; E799-R939 IonicContact OE1-CZ 3.02Å; E799-R939 IonicContact OE1-NH2 3.55Å; E799-R939 PolarHBondContact OE1-NH2 3.08Å
800	D	34.3	Very low	45.3	Very low	117 Å²	117	111 Å²	111	63%	0.626	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-68.3	-30.4	-179.9	-49.8	-58.6	0	0	0	113	S802 T803	D800-S802 PolarHBondContact O-N 3.26Å; D800-T803 PolarHBondContact O-N 3.04Å; D800-T803 PolarHBondContact O-OG1 2.63Å
801	L	37	Very low	47.8	Very low	107 Å²	107	104 Å²	104	56%	0.56	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-63	-11.7	175.2	-76.8	168.4	0	0	0	113.8	E799	E799-L801 VanDerWaalsContact C-N 3.34Å; E799-L801 PolarHBondContact O-N 2.81Å
802	S	36	Very low	49.9	Very low	30 Å²	30	93.9 Å²	93.9	21%	0.21	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-93.3	-11	176	71.2	0	0	0	0	114.1	E799 D800 A804	E799-S802 PolarHBondContact O-N 2.91Å; E799-S802 PolarHBondContact O-OG 3.44Å; D800-S802 PolarHBondContact O-N 3.26Å; S802-A804 VanDerWaalsContact C-N 3.31Å; S802-A804 PolarHBondContact O-N 3.44Å
803	T	44.4	Very low	52.2	Low	89 Å²	89	86.4 Å²	86.4	55%	0.546	45%	0.449	S	S	.	.			trans	-90.5	58.9	179.3	47.5	0	0	0	0	112.5	D800 P805	D800-T803 PolarHBondContact O-N 3.04Å; D800-T803 PolarHBondContact O-OG1 2.63Å; T803-P805 WeakPolarHBondContact O-CD 3.45Å
804	A	39.7	Very low	55	Low	70 Å²	70	80.2 Å²	80.2	58%	0.579	42%	0.416	S	S	*	.			trans	-59	116.2	163.8	0	0	0	0	0	108.4	S802 L1015	S802-A804 VanDerWaalsContact C-N 3.31Å; S802-A804 PolarHBondContact O-N 3.44Å; A804-L1015 HydrophobicContact CB-CD2 4.28Å
805	P	43.5	Very low	57.8	Low	50 Å²	50	77.9 Å²	77.9	33%	0.325	40%	0.398	S	S	.	.			trans	-66.6	146.8	-169.4	25.5	-34	0	0	0	111.3	R770 T803 T807	R770-P805 HydrophobicContact CB-CG 4.41Å; T803-P805 WeakPolarHBondContact O-CD 3.45Å; P805-T807 VanDerWaalsContact C-N 3.35Å; P805-T807 PolarHBondContact O-N 2.9Å
806	V	48	Very low	60.3	Low	33 Å²	33	67 Å²	67	20%	0.2	36%	0.357	C	S	.	.			trans	-69.3	100.5	163.9	-173.3	0	0	0	0	107.4	T808 K890 D893	V806-T808 HydrophobicContact CG1-CG2 4.19Å; V806-T808 PolarHBondContact O-N 3.42Å; V806-K890 HydrophobicContact CG1-CB 4.16Å; V806-K890 HydrophobicContact CG1-CG 4.02Å; V806-K890 HydrophobicContact CG2-CB 4.04Å; V806-D893 HydrophobicContact CG1-CB 3.98Å; V806-D893 VanDerWaalsContact CG1-OD2 3.24Å; V806-D893 WeakPolarHBondContact CG1-OD2 3.41Å
807	T	51.9	Low	62.9	Low	91 Å²	91	60 Å²	60	56%	0.558	33%	0.329	S	S	*	.			trans	-71	78.5	173.1	55.6	0	0	0	0	109.1	P805	P805-T807 VanDerWaalsContact C-N 3.35Å; P805-T807 PolarHBondContact O-N 2.9Å
808	T	59.7	Low	65.7	Low	24 Å²	24	60.4 Å²	60.4	15%	0.147	33%	0.325	C	S	.	.			trans	-60.7	136.6	174.4	42.9	0	0	0	0	110.5	V806 F810 D893	V806-T808 HydrophobicContact CG1-CG2 4.19Å; V806-T808 PolarHBondContact O-N 3.42Å; T808-F810 VanDerWaalsContact C-N 3.32Å; T808-F810 HydrophobicContact CG2-CD2 4.32Å; T808-D893 HydrophobicContact CG2-CB 4.34Å
809	K	76.1	Confident	68.4	Low	96 Å²	96	60.2 Å²	60.2	42%	0.417	32%	0.324	S	S	.	.			trans	-92.4	5.5	177.4	-60.6	171.8	176.7	-175.1	0	112.9	Y897 Y1000 M1004	K809-Y897 HydrophobicContact CB-CD2 4.28Å; K809-Y897 HydrophobicContact CB-CE2 3.9Å; K809-Y1000 HydrophobicContact CD-CE1 3.75Å; K809-Y1000 VanDerWaalsContact CD-OH 3.27Å; K809-Y1000 WeakPolarHBondContact CD-OH 3.48Å; K809-Y1000 WeakPolarHBondContact CE-OH 3.34Å; K809-Y1000 VanDerWaalsContact NZ-CZ 3.31Å; K809-Y1000 PolarHBondContact NZ-OH 3.18Å; K809-M1004 PolarHBondContact NZ-SD 2.89Å
810	F	86.7	Confident	70.8	Confident	24 Å²	24	64 Å²	64	11%	0.105	34%	0.342	C	S	.	.	S	Bend	trans	-69.9	145.1	175.5	-71.1	-77.9	0	0	0	111.3	H701 T808 E814 N896 Y897	H701-F810 HydrophobicContact CB-CB 3.91Å; H701-F810 AromaticContact CD2-CG 3.88Å; H701-F810 AromaticContact CE1-CD1 3.5Å; H701-F810 VanDerWaalsContact CE1-CD1 3.5Å; H701-F810 WeakPolarHBondContact CE1-CD1 3.33Å; H701-F810 AromaticContact CE1-CD2 3.35Å; H701-F810 WeakPolarHBondContact CE1-CD2 3.34Å; H701-F810 AromaticContact CE1-CE1 3.79Å; H701-F810 AromaticContact CE1-CE2 3.67Å; H701-F810 AromaticContact CE1-CG 3.25Å; H701-F810 WeakPolarHBondContact CE1-CG 3.45Å; H701-F810 AromaticContact CE1-CZ 3.86Å; H701-F810 AromaticContact CG-CG 3.83Å; H701-F810 AromaticContact ND1-CD2 3.42Å; H701-F810 WeakPolarHBondContact ND1-CD2 3.45Å; H701-F810 AromaticContact ND1-CG 3.47Å; H701-F810 WeakPolarHBondContact ND1-CG 3.48Å; H701-F810 AromaticContact NE2-CD1 3.45Å; H701-F810 WeakPolarHBondContact NE2-CD1 3.28Å; H701-F810 AromaticContact NE2-CE1 3.94Å; H701-F810 AromaticContact NE2-CG 3.52Å; T808-F810 VanDerWaalsContact C-N 3.32Å; T808-F810 HydrophobicContact CG2-CD2 4.32Å; F810-E814 HydrophobicContact CD1-CG 4.49Å; F810-N896 HydrophobicContact CE2-CB 4.42Å; F810-N896 HydrophobicContact CZ-CB 4.02Å; F810-Y897 AromaticContact CD1-CD2 3.88Å; F810-Y897 HydrophobicContact CD1-CD2 3.88Å; F810-Y897 HydrophobicContact CD2-CD2 4.32Å; F810-Y897 AromaticContact CE1-CD2 3.9Å; F810-Y897 HydrophobicContact CE1-CD2 3.9Å; F810-Y897 HydrophobicContact CE2-CD2 4.34Å; F810-Y897 HydrophobicContact CG-CD2 4.11Å; F810-Y897 VanDerWaalsContact CZ-CA 3.45Å; F810-Y897 HydrophobicContact CZ-CD2 4.14Å; F810-Y897 HydrophobicContact CZ-CG 4.47Å
811	P	91.9	Very high	73.4	Confident	61 Å²	61	59.9 Å²	59.9	40%	0.396	32%	0.323	S	S	.	.			trans	-63.6	159.2	165	30.5	-35.9	0	0	0	110.4	H701 Y813 E814	H701-P811 WeakPolarHBondContact CB-O 3.26Å; H701-P811 PolarHBondContact CD2-O 3.22Å; P811-Y813 WeakPolarHBondContact CG-O 3.41Å; P811-Y813 PolarHBondContact O-N 2.8Å; P811-Y813 VanDerWaalsContact O-N 3.16Å; P811-E814 HydrophobicContact CG-CB 4.45Å
812	A	93.9	Very high	75.9	Confident	6 Å²	6	58.8 Å²	58.8	5%	0.05	34%	0.338	C	S	.	.	S	Bend	trans	-55.5	-36.7	-178.5	0	0	0	0	0	113	H701 F702 A759 E760 A763	H701-A812 PolarHBondContact N-O 3.33Å; F702-A812 HydrophobicContact CD1-CB 3.76Å; F702-A812 HydrophobicContact CE1-CB 3.88Å; A759-A812 VanDerWaalsContact C-CB 3.49Å; A759-A812 HydrophobicContact CB-CB 4Å; A759-A812 WeakPolarHBondContact O-CB 3.05Å; E760-A812 HydrophobicContact CB-CB 4.48Å; E760-A812 HydrophobicContact CG-CB 3.92Å; A763-A812 HydrophobicContact CB-CB 3.73Å
813	Y	95.8	Very high	78.6	Confident	13 Å²	13	60.7 Å²	60.7	5%	0.051	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.1	164.6	-58	-37.2	0	0	0	109.8	I698 R699 T700 F702 F714 W734 I753 P754 A759 P811	I698-Y813 HydrophobicContact CD1-CD1 3.86Å; I698-Y813 HydrophobicContact CD1-CD2 4.01Å; I698-Y813 HydrophobicContact CD1-CE1 4.15Å; I698-Y813 HydrophobicContact CD1-CE2 4.29Å; I698-Y813 HydrophobicContact CD1-CG 3.79Å; R699-Y813 WeakPolarHBondContact O-CA 3.32Å; T700-Y813 HydrophobicContact CG2-CD1 4.3Å; T700-Y813 HydrophobicContact CG2-CE1 4.24Å; F702-Y813 HydrophobicContact CE1-CD1 4.26Å; F702-Y813 AromaticContact CE1-CE1 3.8Å; F702-Y813 HydrophobicContact CE1-CE1 3.8Å; F702-Y813 HydrophobicContact CZ-CE1 4.4Å; F714-Y813 HydrophobicContact CE1-CE1 4.46Å; F714-Y813 HydrophobicContact CE2-CE1 4.34Å; F714-Y813 AromaticContact CZ-CE1 3.76Å; F714-Y813 HydrophobicContact CZ-CE1 3.76Å; W734-Y813 HydrophobicContact CE3-CD2 4.28Å; W734-Y813 HydrophobicContact CE3-CE2 4.08Å; W734-Y813 HydrophobicContact CH2-CD2 4.36Å; W734-Y813 AromaticContact CZ3-CD2 3.73Å; W734-Y813 HydrophobicContact CZ3-CD2 3.73Å; W734-Y813 HydrophobicContact CZ3-CE2 4Å; I753-Y813 HydrophobicContact CD1-CE2 4.43Å; P754-Y813 VanDerWaalsContact O-CE2 3.25Å; P754-Y813 WeakPolarHBondContact O-CE2 3.32Å; P754-Y813 PolarHBondContact O-OH 3.48Å; A759-Y813 HydrophobicContact CB-CD1 4.46Å; A759-Y813 HydrophobicContact CB-CD2 3.96Å; A759-Y813 HydrophobicContact CB-CE1 4Å; A759-Y813 HydrophobicContact CB-CE2 3.44Å; A759-Y813 VanDerWaalsContact CB-CE2 3.44Å; A759-Y813 HydrophobicContact CB-CG 4.44Å; A759-Y813 VanDerWaalsContact CB-CZ 3.46Å; P811-Y813 WeakPolarHBondContact CG-O 3.41Å; P811-Y813 PolarHBondContact O-N 2.8Å; P811-Y813 VanDerWaalsContact O-N 3.16Å
814	E	93.8	Very high	81	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.037	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.6	167.6	174	-167.1	-168.5	0	0	107.8	I698 R699 H701 F810 P811 V816 Y901 S980	I698-E814 CarbonylContact C-O 3.58Å; I698-E814 WeakPolarHBondContact CA-O 3.02Å; R699-E814 HydrophobicContact CB-CB 4.36Å; R699-E814 WeakPolarHBondContact CD-OE2 3.37Å; R699-E814 IonicContact CZ-OE2 2.82Å; R699-E814 PolarHBondContact N-O 3Å; R699-E814 IonicContact NE-OE2 3.86Å; R699-E814 VanDerWaalsContact NH1-CD 3.32Å; R699-E814 IonicContact NH1-OE1 3Å; R699-E814 PolarHBondContact NH1-OE1 3.22Å; R699-E814 IonicContact NH1-OE2 3.85Å; R699-E814 PolarHBondContact NH1-OE2 3.19Å; R699-E814 PolarHBondContact O-N 3.16Å; H701-E814 IonicContact CD2-OE2 3.55Å; H701-E814 IonicContact CE1-OE2 3.09Å; H701-E814 WeakPolarHBondContact NE2-CB 3.49Å; H701-E814 IonicContact NE2-OE2 2.73Å; H701-E814 PolarHBondContact NE2-OE2 2.75Å; F810-E814 HydrophobicContact CD1-CG 4.49Å; P811-E814 HydrophobicContact CG-CB 4.45Å; E814-V816 HydrophobicContact CG-CG1 3.89Å; E814-Y901 PolarHBondContact OE1-OH 2.71Å; E814-S980 WeakPolarHBondContact OE1-CB 3.4Å; E814-S980 PolarHBondContact OE1-OG 3.16Å
815	R	94.3	Very high	83.7	Confident	88 Å²	88	56.9 Å²	56.9	33%	0.332	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	137	168.1	-75.2	-158.2	-177.7	-174.7	2.5	109.6	F696 Y697 I698 S980 E981	F696-R815 HydrophobicContact CD2-CG 4.21Å; Y697-R815 WeakPolarHBondContact O-CA 3.17Å; I698-R815 HydrophobicContact CG2-CG 4.36Å; R815-S980 CarbonylContact O-C 3.57Å; R815-S980 WeakPolarHBondContact O-CA 3.34Å; R815-E981 HydrophobicContact CB-CB 3.87Å; R815-E981 WeakPolarHBondContact CD-OE2 3.41Å; R815-E981 IonicContact CZ-OE2 2.69Å; R815-E981 IonicContact NE-OE2 3.24Å; R815-E981 IonicContact NH1-OE2 2.91Å; R815-E981 PolarHBondContact NH1-OE2 3.03Å; R815-E981 PolarHBondContact O-N 3.43Å
816	V	94.4	Very high	86.2	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	151.3	-174.6	-67.4	0	0	0	0	112.6	Y697 R699 I719 E814 W978 V979	Y697-V816 WeakPolarHBondContact CB-O 3.19Å; Y697-V816 PolarHBondContact O-N 3.03Å; R699-V816 HydrophobicContact CB-CG1 3.92Å; R699-V816 HydrophobicContact CB-CG2 4.5Å; I719-V816 HydrophobicContact CD1-CG2 4.41Å; E814-V816 HydrophobicContact CG-CG1 3.89Å; V816-W978 HydrophobicContact CB-CB 4.29Å; V816-W978 HydrophobicContact CB-CE3 4.15Å; V816-W978 HydrophobicContact CG2-CB 4.42Å; V816-W978 HydrophobicContact CG2-CD2 4.32Å; V816-W978 HydrophobicContact CG2-CE3 3.69Å; V816-W978 HydrophobicContact CG2-CZ3 4.35Å; V816-V979 CarbonylContact C-O 3.04Å; V816-V979 WeakPolarHBondContact CA-O 3.29Å
817	V	93	Very high	88.6	Confident	38 Å²	38	53 Å²	53	23%	0.23	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149	172.5	-70.2	0	0	0	0	109.9	R819 V979 E981	V817-R819 HydrophobicContact CG2-CG 4.17Å; V817-V979 PolarHBondContact N-O 2.91Å; V817-V979 PolarHBondContact O-N 3.02Å; V817-E981 HydrophobicContact CG1-CB 4.4Å; V817-E981 HydrophobicContact CG1-CG 4.42Å
818	L	92	Very high	90.7	Very high	94 Å²	94	48.7 Å²	48.7	49%	0.492	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	124.9	179.1	-165.8	70.9	0	0	0	109.7	A976 W978	L818-A976 HydrophobicContact CD1-CB 3.96Å; L818-A976 HydrophobicContact CD2-CB 4.13Å; L818-A976 HydrophobicContact CG-CB 3.74Å; L818-W978 HydrophobicContact CB-CE3 4.2Å; L818-W978 HydrophobicContact CB-CH2 4.3Å; L818-W978 HydrophobicContact CB-CZ3 4.07Å; L818-W978 HydrophobicContact CD1-CD2 3.94Å; L818-W978 HydrophobicContact CD1-CE3 4.42Å; L818-W978 HydrophobicContact CD1-CG 4.22Å; L818-W978 HydrophobicContact CD1-CZ2 4.22Å
819	R	91	Very high	92.5	Very high	131 Å²	131	47.6 Å²	47.6	49%	0.494	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146	-177.3	-63.1	-65.2	-172.9	172.5	0.7	111.2	V817 A976 V977 V979	V817-R819 HydrophobicContact CG2-CG 4.17Å; R819-A976 CarbonylContact O-C 3.57Å; R819-A976 WeakPolarHBondContact O-CA 3.31Å; R819-V977 PolarHBondContact N-O 2.86Å; R819-V977 PolarHBondContact O-N 3.35Å; R819-V979 HydrophobicContact CB-CB 4.44Å; R819-V979 HydrophobicContact CB-CG2 3.99Å; R819-V979 HydrophobicContact CG-CB 4.17Å; R819-V979 HydrophobicContact CG-CG2 4.26Å
820	E	90.6	Very high	93.4	Very high	174 Å²	174	43.9 Å²	43.9	81%	0.813	23%	0.23	S	C	*	.			trans	-77.6	150.2	170.9	-65.8	-178.9	173.4	0	0	110.8	G822 A976	E820-G822 PolarHBondContact O-N 3.44Å; E820-A976 HydrophobicContact CG-CB 4.29Å
821	A	88.4	Confident	93.8	Very high	29 Å²	29	43.3 Å²	43.3	24%	0.24	23%	0.231	C	C	.	.			trans	-85.6	98.3	-176.6	0	0	0	0	0	110.9	F823 R825	A821-F823 PolarHBondContact O-N 3Å; A821-R825 HydrophobicContact CB-CG 3.97Å
822	G	88.6	Confident	93.9	Very high	85 Å²	85	40.5 Å²	40.5	88%	0.876	21%	0.212	S	C	*	.	S	Bend	trans	-69	10	178.7	0	0	0	0	0	115.9	E820	E820-G822 PolarHBondContact O-N 3.44Å
823	F	93.1	Very high	93.9	Very high	69 Å²	69	40.2 Å²	40.2	30%	0.303	21%	0.21	S	C	.	.	S	Bend	trans	-154.8	163.4	179.2	66.8	-90.7	0	0	0	110.6	A821 R825 I877 W900 Q973	A821-F823 PolarHBondContact O-N 3Å; F823-R825 HydrophobicContact CE2-CG 4.34Å; F823-R825 PolarHBondContact O-N 3.23Å; F823-I877 HydrophobicContact CB-CG2 3.71Å; F823-I877 HydrophobicContact CD2-CD1 4.04Å; F823-I877 HydrophobicContact CD2-CG1 4.49Å; F823-I877 HydrophobicContact CD2-CG2 3.65Å; F823-I877 HydrophobicContact CE2-CD1 4.11Å; F823-I877 HydrophobicContact CG-CG2 3.98Å; F823-W900 AromaticContact CE2-CE3 3.78Å; F823-W900 HydrophobicContact CE2-CE3 3.78Å; F823-W900 HydrophobicContact CE2-CZ3 4.23Å; F823-W900 AromaticContact CZ-CE3 3.92Å; F823-W900 HydrophobicContact CZ-CE3 3.92Å; F823-W900 HydrophobicContact CZ-CZ3 4.46Å; F823-Q973 PolarHBondContact O-NE2 2.87Å
824	R	94.3	Very high	93.8	Very high	69 Å²	69	40.1 Å²	40.1	26%	0.26	21%	0.211	S	C	.	.			trans	-70.4	108.2	176.1	-64.4	-73.4	-178.3	145.1	11.6	110.9	D880 L881 H882	R824-D880 HydrophobicContact CG-CB 4.48Å; R824-D880 WeakPolarHBondContact CG-OD1 3.09Å; R824-D880 IonicContact CZ-OD2 3.53Å; R824-D880 IonicContact NE-OD1 2.68Å; R824-D880 PolarHBondContact NE-OD1 3.42Å; R824-D880 IonicContact NE-OD2 3.85Å; R824-D880 PolarHBondContact NE-OD2 3.33Å; R824-D880 IonicContact NH2-OD2 3.79Å; R824-D880 PolarHBondContact NH2-OD2 2.79Å; R824-L881 WeakPolarHBondContact CB-O 3.47Å; R824-H882 WeakPolarHBondContact CD-NE2 3.35Å; R824-H882 PolarHBondContact NH1-NE2 2.89Å
825	R	96.4	Very high	93.7	Very high	11 Å²	11	40.7 Å²	40.7	4%	0.042	22%	0.215	C	C	.	.			trans	-64.4	138.5	-178.4	-63.7	167	62.2	-160.8	-3.6	109.9	A821 F823 H882 Y901 P902 I903 Q972	A821-R825 HydrophobicContact CB-CG 3.97Å; F823-R825 HydrophobicContact CE2-CG 4.34Å; F823-R825 PolarHBondContact O-N 3.23Å; R825-H882 PolarHBondContact O-ND1 3.46Å; R825-Y901 VanDerWaalsContact CZ-O 3.22Å; R825-Y901 PolarHBondContact NE-O 3.1Å; R825-Y901 PolarHBondContact NH2-O 3.41Å; R825-P902 PolarHBondContact NH2-O 3.34Å; R825-P902 VanDerWaalsContact NH2-O 3.08Å; R825-I903 HydrophobicContact CB-CD1 4Å; R825-I903 HydrophobicContact CB-CG1 3.92Å; R825-Q972 PolarHBondContact NH1-O 2.83Å
826	P	96.7	Very high	93.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.			trans	-57.2	150.7	171.8	-20.6	30.1	0	0	0	111.3	I873 I877 A883 L885 P902 I903	P826-I873 HydrophobicContact CB-CG2 4.39Å; P826-I873 HydrophobicContact CG-CG2 3.68Å; P826-I877 HydrophobicContact CG-CD1 4.02Å; P826-A883 CarbonylContact C-O 3.5Å; P826-A883 WeakPolarHBondContact CA-O 3.16Å; P826-A883 HydrophobicContact CB-CB 4.38Å; P826-L885 HydrophobicContact CB-CD1 3.68Å; P826-L885 HydrophobicContact CB-CG 4.17Å; P826-P902 HydrophobicContact CB-CB 4.28Å; P826-P902 CarbonylContact O-C 3.59Å; P826-P902 WeakPolarHBondContact O-CA 3.43Å; P826-P902 WeakPolarHBondContact O-CB 3.15Å; P826-I903 PolarHBondContact O-N 2.88Å
827	V	97.6	Very high	93.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.7	-176.2	175.9	0	0	0	0	109.7	I829 F849 H882 A883 L884 L885 I903 I969	V827-I829 HydrophobicContact CG1-CD1 4.2Å; V827-I829 HydrophobicContact CG1-CG1 3.93Å; V827-F849 HydrophobicContact CG2-CE1 4.32Å; V827-H882 HydrophobicContact CG2-CB 3.95Å; V827-A883 PolarHBondContact N-O 2.91Å; V827-L884 HydrophobicContact CB-CD2 4.02Å; V827-L884 HydrophobicContact CG1-CD2 3.89Å; V827-L884 WeakPolarHBondContact O-CA 3.32Å; V827-L885 PolarHBondContact O-N 2.94Å; V827-I903 WeakPolarHBondContact CA-O 3.28Å; V827-I903 HydrophobicContact CG2-CB 4.27Å; V827-I903 HydrophobicContact CG2-CD1 4.47Å; V827-I969 HydrophobicContact CG1-CD1 3.85Å; V827-I969 HydrophobicContact CG1-CG1 4.14Å; V827-I969 HydrophobicContact CG2-CG2 3.94Å
828	V	96.7	Very high	93.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.4	178.1	-174.9	0	0	0	0	107.8	F830 L885 V887 V892 P902 I903 V904 V905	V828-F830 HydrophobicContact CG1-CD2 4.21Å; V828-F830 HydrophobicContact CG1-CE1 4.22Å; V828-F830 HydrophobicContact CG1-CE2 3.75Å; V828-F830 HydrophobicContact CG1-CZ 3.74Å; V828-L885 HydrophobicContact CG2-CB 4.18Å; V828-L885 HydrophobicContact CG2-CD1 4.18Å; V828-V887 HydrophobicContact CB-CG2 4.3Å; V828-V887 HydrophobicContact CG1-CG2 3.68Å; V828-V887 HydrophobicContact CG2-CG2 3.63Å; V828-V892 HydrophobicContact CB-CG2 4.43Å; V828-V892 HydrophobicContact CG1-CG2 3.91Å; V828-V892 HydrophobicContact CG2-CG2 4.08Å; V828-P902 HydrophobicContact CG2-CB 3.83Å; V828-P902 HydrophobicContact CG2-CG 4.28Å; V828-I903 PolarHBondContact N-O 2.9Å; V828-V904 HydrophobicContact CB-CG1 4.44Å; V828-V904 HydrophobicContact CB-CG2 4.27Å; V828-V904 WeakPolarHBondContact O-CA 3.46Å; V828-V905 PolarHBondContact O-N 3.11Å
829	I	96.6	Very high	93.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	113.9	-178.8	-53	-170.3	0	0	0	108.8	V827 S834 V837 L841 L884 V905 L907 V965	V827-I829 HydrophobicContact CG1-CD1 4.2Å; V827-I829 HydrophobicContact CG1-CG1 3.93Å; I829-S834 WeakPolarHBondContact O-CB 3.49Å; I829-V837 HydrophobicContact CD1-CB 4.12Å; I829-V837 HydrophobicContact CD1-CG1 3.49Å; I829-V837 VanDerWaalsContact CD1-CG1 3.49Å; I829-V837 HydrophobicContact CG2-CB 4.32Å; I829-V837 HydrophobicContact CG2-CG1 4.44Å; I829-L841 HydrophobicContact CD1-CD1 3.71Å; I829-L884 HydrophobicContact CD1-CD2 4.4Å; I829-V905 WeakPolarHBondContact CA-O 3.49Å; I829-L907 HydrophobicContact CG2-CD1 3.63Å; I829-L907 HydrophobicContact CG2-CG 3.93Å; I829-V965 HydrophobicContact CD1-CG1 4.36Å
830	F	95.9	Very high	94	Very high	18 Å²	18	32.9 Å²	32.9	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.2	176.4	-73.1	-55.9	0	0	0	110.7	V828 V887 P889 V892 V904 V905 F906 L907 L940 F948	V828-F830 HydrophobicContact CG1-CD2 4.21Å; V828-F830 HydrophobicContact CG1-CE1 4.22Å; V828-F830 HydrophobicContact CG1-CE2 3.75Å; V828-F830 HydrophobicContact CG1-CZ 3.74Å; F830-V887 WeakPolarHBondContact CE1-O 3.31Å; F830-V887 WeakPolarHBondContact CZ-O 3.35Å; F830-P889 HydrophobicContact CE1-CG 4.27Å; F830-P889 HydrophobicContact CZ-CG 3.99Å; F830-V892 HydrophobicContact CE2-CG2 4.03Å; F830-V892 HydrophobicContact CZ-CG2 3.87Å; F830-V904 HydrophobicContact CD2-CG1 3.69Å; F830-V904 HydrophobicContact CE2-CG1 3.76Å; F830-V905 PolarHBondContact N-O 3.43Å; F830-F906 HydrophobicContact CB-CD2 3.84Å; F830-F906 CarbonylContact O-C 3.49Å; F830-F906 WeakPolarHBondContact O-CA 3.31Å; F830-L907 PolarHBondContact O-N 2.92Å; F830-L940 HydrophobicContact CD1-CD1 4.22Å; F830-F948 HydrophobicContact CD2-CD1 4.33Å; F830-F948 AromaticContact CD2-CE1 3.9Å; F830-F948 HydrophobicContact CD2-CE1 3.9Å
831	G	94.7	Very high	94.2	Very high	12 Å²	12	24.6 Å²	24.6	12%	0.124	14%	0.143	C	C	.	.	S	Bend	trans	146	-177.9	172.1	0	0	0	0	0	112.9	I833 S834	G831-I833 PolarHBondContact O-N 2.9Å; G831-S834 PolarHBondContact O-N 3.33Å; G831-S834 PolarHBondContact O-OG 2.97Å
832	P	93.9	Very high	94.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	2.2	-169.4	32.5	-35.1	0	0	0	114.6	L907 P909 V915 R919 L933 L954	P832-L907 WeakPolarHBondContact CD-O 3.41Å; P832-P909 HydrophobicContact CG-CB 4.02Å; P832-P909 HydrophobicContact CG-CG 4.23Å; P832-V915 HydrophobicContact CB-CB 4.45Å; P832-V915 HydrophobicContact CB-CG1 3.69Å; P832-V915 HydrophobicContact CB-CG2 3.82Å; P832-V915 HydrophobicContact CG-CG1 4.37Å; P832-V915 HydrophobicContact CG-CG2 3.64Å; P832-R919 PolarHBondContact O-NH1 3.2Å; P832-L933 HydrophobicContact CB-CB 3.94Å; P832-L954 HydrophobicContact CG-CD1 4.03Å
833	I	94.3	Very high	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	16.4	176.7	64.1	171.3	0	0	0	112.5	G831 D835 V836 V837 L907 M918 R919 L954 W961	G831-I833 PolarHBondContact O-N 2.9Å; I833-D835 PolarHBondContact O-N 2.95Å; I833-V836 HydrophobicContact CB-CB 4.34Å; I833-V836 HydrophobicContact CB-CG2 3.81Å; I833-V836 HydrophobicContact CG2-CG2 4.32Å; I833-V836 WeakPolarHBondContact O-CA 3.34Å; I833-V836 VanDerWaalsContact O-CB 3.32Å; I833-V836 WeakPolarHBondContact O-CB 3.07Å; I833-V836 PolarHBondContact O-N 3.26Å; I833-V837 HydrophobicContact CD1-CG2 4.34Å; I833-V837 HydrophobicContact CG1-CG2 4.1Å; I833-V837 VanDerWaalsContact O-CG2 3.22Å; I833-V837 WeakPolarHBondContact O-CG2 3.26Å; I833-V837 PolarHBondContact O-N 3.06Å; I833-V837 VanDerWaalsContact O-N 3.08Å; I833-L907 HydrophobicContact CD1-CD1 4.31Å; I833-L907 HydrophobicContact CG1-CD1 3.76Å; I833-M918 HydrophobicContact CD1-CE 3.72Å; I833-M918 HydrophobicContact CG2-CB 4.42Å; I833-R919 HydrophobicContact CG2-CG 4.26Å; I833-L954 HydrophobicContact CD1-CD1 3.91Å; I833-L954 HydrophobicContact CD1-CD2 3.77Å; I833-L954 HydrophobicContact CG1-CD1 3.99Å; I833-W961 HydrophobicContact CD1-CD2 3.96Å; I833-W961 HydrophobicContact CD1-CE3 4.19Å; I833-W961 HydrophobicContact CD1-CG 4.45Å; I833-W961 HydrophobicContact CD1-CH2 4.46Å; I833-W961 HydrophobicContact CD1-CZ2 4.22Å; I833-W961 HydrophobicContact CD1-CZ3 4.45Å
834	S	93.9	Very high	95	Very high	12 Å²	12	27.1 Å²	27.1	8%	0.084	14%	0.138	C	C	.	.	H	α-helix	trans	-57.8	-34.9	-176.6	52.2	0	0	0	0	113.3	I829 G831 V837 N838	I829-S834 WeakPolarHBondContact O-CB 3.49Å; G831-S834 PolarHBondContact O-N 3.33Å; G831-S834 PolarHBondContact O-OG 2.97Å; S834-V837 PolarHBondContact O-N 2.9Å; S834-N838 PolarHBondContact O-N 3.34Å
835	D	91.6	Very high	95	Very high	20 Å²	20	25.7 Å²	25.7	11%	0.107	14%	0.136	C	C	.	.	H	α-helix	trans	-55.8	-52.3	170.3	44.5	9.5	0	0	0	112	I833 V837 N838 E839 R919 R928	I833-D835 PolarHBondContact O-N 2.95Å; D835-V837 PolarHBondContact O-N 3.12Å; D835-N838 PolarHBondContact O-N 2.96Å; D835-E839 WeakPolarHBondContact O-CG 3.44Å; D835-E839 PolarHBondContact O-N 3Å; D835-E839 VanDerWaalsContact O-N 3.11Å; D835-R919 IonicContact OD1-CZ 2.66Å; D835-R919 IonicContact OD1-NH1 2.82Å; D835-R919 PolarHBondContact OD1-NH1 3.3Å; D835-R919 IonicContact OD1-NH2 3.74Å; D835-R919 IonicContact OD2-CZ 2.65Å; D835-R919 IonicContact OD2-NH1 3.91Å; D835-R919 PolarHBondContact OD2-NH1 3.29Å; D835-R919 VanDerWaalsContact OD2-NH1 3.09Å; D835-R919 IonicContact OD2-NH2 3.36Å; D835-R919 PolarHBondContact OD2-NH2 2.79Å; D835-R928 WeakPolarHBondContact OD2-CD 3.46Å; D835-R928 IonicContact OD2-CZ 2.73Å; D835-R928 IonicContact OD2-NE 3.57Å; D835-R928 IonicContact OD2-NH1 3.53Å; D835-R928 PolarHBondContact OD2-NH1 3.32Å
836	V	93.3	Very high	94.9	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-56.2	-40	175.1	-160	0	0	0	0	111.9	I833 K840 L922 I923 W961	I833-V836 HydrophobicContact CB-CB 4.34Å; I833-V836 HydrophobicContact CB-CG2 3.81Å; I833-V836 HydrophobicContact CG2-CG2 4.32Å; I833-V836 WeakPolarHBondContact O-CA 3.34Å; I833-V836 VanDerWaalsContact O-CB 3.32Å; I833-V836 WeakPolarHBondContact O-CB 3.07Å; I833-V836 PolarHBondContact O-N 3.26Å; V836-K840 WeakPolarHBondContact O-CB 3.18Å; V836-K840 PolarHBondContact O-N 3.06Å; V836-L922 HydrophobicContact CG1-CB 3.94Å; V836-L922 HydrophobicContact CG1-CD1 4.26Å; V836-L922 HydrophobicContact CG1-CG 4.48Å; V836-L922 HydrophobicContact CG2-CB 4.4Å; V836-I923 HydrophobicContact CB-CD1 4.33Å; V836-I923 HydrophobicContact CG1-CD1 4.48Å; V836-I923 HydrophobicContact CG1-CG1 4.43Å; V836-I923 HydrophobicContact CG2-CD1 3.74Å; V836-I923 HydrophobicContact CG2-CG1 4.04Å; V836-W961 HydrophobicContact CG1-CH2 4.47Å
837	V	95	Very high	94.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-74.5	-43.1	-174.1	-171.2	0	0	0	0	111.3	I829 I833 S834 D835 K840 L841 L907 W961 V965	I829-V837 HydrophobicContact CD1-CB 4.12Å; I829-V837 HydrophobicContact CD1-CG1 3.49Å; I829-V837 VanDerWaalsContact CD1-CG1 3.49Å; I829-V837 HydrophobicContact CG2-CB 4.32Å; I829-V837 HydrophobicContact CG2-CG1 4.44Å; I833-V837 HydrophobicContact CD1-CG2 4.34Å; I833-V837 HydrophobicContact CG1-CG2 4.1Å; I833-V837 VanDerWaalsContact O-CG2 3.22Å; I833-V837 WeakPolarHBondContact O-CG2 3.26Å; I833-V837 PolarHBondContact O-N 3.06Å; I833-V837 VanDerWaalsContact O-N 3.08Å; S834-V837 PolarHBondContact O-N 2.9Å; D835-V837 PolarHBondContact O-N 3.12Å; V837-K840 PolarHBondContact O-N 3.07Å; V837-L841 HydrophobicContact CG1-CD1 3.96Å; V837-L841 HydrophobicContact CG1-CG 4.29Å; V837-L841 WeakPolarHBondContact O-CB 3.47Å; V837-L841 WeakPolarHBondContact O-CG 3.39Å; V837-L841 PolarHBondContact O-N 3.15Å; V837-L907 HydrophobicContact CG2-CD1 3.5Å; V837-W961 HydrophobicContact CB-CZ3 4.17Å; V837-W961 HydrophobicContact CG1-CZ3 4.12Å; V837-W961 HydrophobicContact CG2-CE3 4.01Å; V837-W961 HydrophobicContact CG2-CH2 4Å; V837-W961 HydrophobicContact CG2-CZ3 3.37Å; V837-V965 HydrophobicContact CG1-CG1 3.81Å; V837-V965 HydrophobicContact CG1-CG2 4.24Å
838	N	94.1	Very high	94.6	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.053	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-45.9	177	-70.9	-11.1	0	0	0	111	S834 D835 L841 A842	S834-N838 PolarHBondContact O-N 3.34Å; D835-N838 PolarHBondContact O-N 2.96Å; N838-L841 PolarHBondContact O-N 2.68Å; N838-A842 PolarHBondContact O-N 2.76Å
839	E	93.1	Very high	94.6	Very high	101 Å²	101	37.4 Å²	37.4	47%	0.472	20%	0.201	S	C	.	.	H	α-helix	trans	-60.9	-45.7	175.4	-71.8	174.9	-170.5	0	0	111.7	D835 N843	D835-E839 WeakPolarHBondContact O-CG 3.44Å; D835-E839 PolarHBondContact O-N 3Å; D835-E839 VanDerWaalsContact O-N 3.11Å; E839-N843 VanDerWaalsContact O-CB 3.31Å; E839-N843 WeakPolarHBondContact O-CB 3.42Å; E839-N843 VanDerWaalsContact O-CG 3.22Å; E839-N843 PolarHBondContact O-N 2.71Å; E839-N843 PolarHBondContact O-ND2 3.11Å
840	K	94.6	Very high	94.6	Very high	69 Å²	69	39.5 Å²	39.5	30%	0.3	21%	0.214	S	C	.	.	H	α-helix	trans	-64.6	-42.2	177.1	-86.5	-159.8	170.9	-164.8	0	113.8	V836 V837 N843 D844 W961 Y962	V836-K840 WeakPolarHBondContact O-CB 3.18Å; V836-K840 PolarHBondContact O-N 3.06Å; V837-K840 PolarHBondContact O-N 3.07Å; K840-N843 PolarHBondContact O-N 2.86Å; K840-D844 WeakPolarHBondContact O-CB 3.41Å; K840-D844 VanDerWaalsContact O-CG 3.27Å; K840-D844 PolarHBondContact O-N 2.88Å; K840-W961 HydrophobicContact CD-CH2 4.28Å; K840-Y962 HydrophobicContact CB-CD2 4.5Å; K840-Y962 HydrophobicContact CB-CE2 3.98Å; K840-Y962 HydrophobicContact CD-CD2 4.42Å; K840-Y962 HydrophobicContact CD-CE2 4.47Å
841	L	96.2	Very high	94.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-42.6	-179.3	-75.1	172.5	0	0	0	111.4	I829 V837 N838 L845 F849 L884 Y962 V965 K966 I969	I829-L841 HydrophobicContact CD1-CD1 3.71Å; V837-L841 HydrophobicContact CG1-CD1 3.96Å; V837-L841 HydrophobicContact CG1-CG 4.29Å; V837-L841 WeakPolarHBondContact O-CB 3.47Å; V837-L841 WeakPolarHBondContact O-CG 3.39Å; V837-L841 PolarHBondContact O-N 3.15Å; N838-L841 PolarHBondContact O-N 2.68Å; L841-L845 CarbonylContact O-C 3.53Å; L841-L845 WeakPolarHBondContact O-CA 3.16Å; L841-L845 WeakPolarHBondContact O-CB 3.39Å; L841-L845 PolarHBondContact O-N 3.4Å; L841-F849 HydrophobicContact CB-CB 4.25Å; L841-F849 HydrophobicContact CB-CD1 4.44Å; L841-F849 HydrophobicContact CB-CD2 4.25Å; L841-F849 HydrophobicContact CB-CG 4.05Å; L841-F849 HydrophobicContact CD1-CD1 4.46Å; L841-F849 HydrophobicContact CD1-CE1 4.44Å; L841-F849 HydrophobicContact CD2-CD2 4.23Å; L841-F849 HydrophobicContact CD2-CE2 4.04Å; L841-F849 HydrophobicContact CD2-CZ 4.3Å; L841-L884 HydrophobicContact CB-CD1 3.89Å; L841-L884 HydrophobicContact CB-CD2 4.46Å; L841-L884 HydrophobicContact CD1-CD2 3.83Å; L841-Y962 HydrophobicContact CD2-CE2 3.87Å; L841-Y962 HydrophobicContact CG-CE2 4.28Å; L841-V965 HydrophobicContact CD1-CG1 4.05Å; L841-K966 HydrophobicContact CD2-CD 4.24Å; L841-K966 HydrophobicContact CD2-CG 3.72Å; L841-I969 HydrophobicContact CD1-CD1 3.9Å
842	A	95.3	Very high	94.4	Very high	20 Å²	20	41.8 Å²	41.8	17%	0.165	22%	0.224	C	C	.	.	H	α-helix	trans	-71.3	-33.9	177.8	0	0	0	0	0	113.7	N838 P846 I851 L884	N838-A842 PolarHBondContact O-N 2.76Å; A842-P846 WeakPolarHBondContact O-CA 3.18Å; A842-P846 WeakPolarHBondContact O-CB 3.47Å; A842-I851 HydrophobicContact CB-CD1 3.95Å; A842-I851 HydrophobicContact CB-CG1 3.88Å; A842-L884 HydrophobicContact CB-CD1 4.26Å
843	N	95.4	Very high	94	Very high	128 Å²	128	49.9 Å²	49.9	68%	0.684	26%	0.259	S	S	*	.	H	α-helix	trans	-79.1	-42.4	178.8	-71.4	-35.9	0	0	0	113	E839 K840	E839-N843 VanDerWaalsContact O-CB 3.31Å; E839-N843 WeakPolarHBondContact O-CB 3.42Å; E839-N843 VanDerWaalsContact O-CG 3.22Å; E839-N843 PolarHBondContact O-N 2.71Å; E839-N843 PolarHBondContact O-ND2 3.11Å; K840-N843 PolarHBondContact O-N 2.86Å
844	D	95.5	Very high	93.4	Very high	88 Å²	88	53.3 Å²	53.3	47%	0.471	28%	0.28	S	S	.	.	H	α-helix	trans	-81.6	-28	-177.3	-63.7	-11.9	0	0	0	112.2	K840 Y962	K840-D844 WeakPolarHBondContact O-CB 3.41Å; K840-D844 VanDerWaalsContact O-CG 3.27Å; K840-D844 PolarHBondContact O-N 2.88Å; D844-Y962 VanDerWaalsContact CB-OH 3.28Å; D844-Y962 WeakPolarHBondContact CB-OH 3.39Å; D844-Y962 WeakPolarHBondContact OD2-CE1 3.34Å; D844-Y962 PolarHBondContact OD2-OH 3.49Å
845	L	94.4	Very high	92.5	Very high	39 Å²	39	55.8 Å²	55.8	20%	0.204	29%	0.29	C	S	.	.			trans	-138.9	57.4	-174.4	-65.9	175.6	0	0	0	113	L841 N847 E848 F849 K966	L841-L845 CarbonylContact O-C 3.53Å; L841-L845 WeakPolarHBondContact O-CA 3.16Å; L841-L845 WeakPolarHBondContact O-CB 3.39Å; L841-L845 PolarHBondContact O-N 3.4Å; L845-N847 PolarHBondContact O-N 3Å; L845-N847 VanDerWaalsContact O-N 3.09Å; L845-E848 HydrophobicContact CB-CB 4.39Å; L845-E848 PolarHBondContact O-N 3.01Å; L845-F849 HydrophobicContact CB-CD2 3.86Å; L845-F849 HydrophobicContact CB-CE2 4.38Å; L845-F849 HydrophobicContact CD1-CD2 4.34Å; L845-F849 HydrophobicContact CD1-CE2 4.05Å; L845-F849 PolarHBondContact O-N 3.12Å; L845-K966 HydrophobicContact CD1-CD 3.53Å; L845-K966 HydrophobicContact CD1-CG 4.38Å
846	P	93.9	Very high	91.5	Very high	67 Å²	67	59.4 Å²	59.4	44%	0.435	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.1	179.5	26.2	-35.8	0	0	0	113.8	A842 E848	A842-P846 WeakPolarHBondContact O-CA 3.18Å; A842-P846 WeakPolarHBondContact O-CB 3.47Å; P846-E848 VanDerWaalsContact C-N 3.32Å
847	N	94	Very high	89.9	Confident	145 Å²	145	64.6 Å²	64.6	78%	0.775	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.1	177.1	-59.2	0.2	0	0	0	113.5	L845 L881	L845-N847 PolarHBondContact O-N 3Å; L845-N847 VanDerWaalsContact O-N 3.09Å; N847-L881 VanDerWaalsContact C-CD2 3.47Å; N847-L881 VanDerWaalsContact O-CD2 3.29Å; N847-L881 WeakPolarHBondContact O-CD2 3.19Å
848	E	94.6	Very high	88.1	Confident	44 Å²	44	69.2 Å²	69.2	21%	0.206	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-25.8	171.4	-75.6	174.6	-120.8	0	0	111.9	L845 P846 H882 R970	L845-E848 HydrophobicContact CB-CB 4.39Å; L845-E848 PolarHBondContact O-N 3.01Å; P846-E848 VanDerWaalsContact C-N 3.32Å; E848-H882 WeakPolarHBondContact O-CB 3.42Å; E848-H882 PolarHBondContact O-CD2 3.05Å; E848-H882 PolarHBondContact O-N 2.87Å; E848-R970 IonicContact OE1-CZ 3.6Å; E848-R970 IonicContact OE1-NH2 2.87Å; E848-R970 PolarHBondContact OE1-NH2 3.09Å; E848-R970 IonicContact OE2-CZ 2.71Å; E848-R970 IonicContact OE2-NE 3.52Å; E848-R970 PolarHBondContact OE2-NE 3.06Å; E848-R970 VanDerWaalsContact OE2-NE 3.11Å; E848-R970 IonicContact OE2-NH2 3.7Å; E848-R970 PolarHBondContact OE2-NH2 3.39Å
849	F	96.8	Very high	85.8	Confident	2 Å²	2	74.4 Å²	74.4	1%	0.009	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.8	-168.4	-62.8	-82.4	0	0	0	114.1	V827 L841 L845 H882 L884 I969	V827-F849 HydrophobicContact CG2-CE1 4.32Å; L841-F849 HydrophobicContact CB-CB 4.25Å; L841-F849 HydrophobicContact CB-CD1 4.44Å; L841-F849 HydrophobicContact CB-CD2 4.25Å; L841-F849 HydrophobicContact CB-CG 4.05Å; L841-F849 HydrophobicContact CD1-CD1 4.46Å; L841-F849 HydrophobicContact CD1-CE1 4.44Å; L841-F849 HydrophobicContact CD2-CD2 4.23Å; L841-F849 HydrophobicContact CD2-CE2 4.04Å; L841-F849 HydrophobicContact CD2-CZ 4.3Å; L845-F849 HydrophobicContact CB-CD2 3.86Å; L845-F849 HydrophobicContact CB-CE2 4.38Å; L845-F849 HydrophobicContact CD1-CD2 4.34Å; L845-F849 HydrophobicContact CD1-CE2 4.05Å; L845-F849 PolarHBondContact O-N 3.12Å; F849-H882 WeakPolarHBondContact CA-O 3.28Å; F849-H882 HydrophobicContact CD1-CB 3.58Å; F849-H882 HydrophobicContact CE1-CB 3.74Å; F849-H882 HydrophobicContact CG-CB 4.47Å; F849-L884 HydrophobicContact CB-CD1 3.87Å; F849-L884 HydrophobicContact CB-CG 4.28Å; F849-L884 HydrophobicContact CD1-CD1 4.44Å; F849-L884 HydrophobicContact CD1-CD2 3.97Å; F849-L884 HydrophobicContact CD1-CG 4.15Å; F849-L884 HydrophobicContact CG-CD1 4.5Å; F849-I969 HydrophobicContact CE1-CD1 3.99Å; F849-I969 HydrophobicContact CE1-CG2 3.96Å; F849-I969 HydrophobicContact CZ-CD1 4.14Å; F849-I969 HydrophobicContact CZ-CG2 3.98Å
850	V	96.1	Very high	83.9	Confident	46 Å²	46	73.5 Å²	73.5	28%	0.279	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	132.5	174.3	176.6	0	0	0	0	110.1	A852 I876 L881 H882 A883 L884	V850-A852 PolarHBondContact O-N 3.09Å; V850-I876 HydrophobicContact CB-CD1 4.31Å; V850-I876 HydrophobicContact CB-CG1 4.49Å; V850-I876 HydrophobicContact CB-CG2 3.99Å; V850-I876 HydrophobicContact CG1-CD1 3.9Å; V850-I876 HydrophobicContact CG1-CG1 4.2Å; V850-L881 HydrophobicContact CG2-CB 4.29Å; V850-L881 HydrophobicContact CG2-CD1 3.63Å; V850-L881 HydrophobicContact CG2-CG 4.49Å; V850-H882 PolarHBondContact N-O 3.26Å; V850-A883 CarbonylContact O-C 3.59Å; V850-A883 WeakPolarHBondContact O-CA 3.29Å; V850-L884 PolarHBondContact O-N 3.31Å
851	I	94.3	Very high	81.8	Confident	77 Å²	77	72.6 Å²	72.6	40%	0.395	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120.8	172.5	-62	170.7	0	0	0	109.3	A842 K853 L884	A842-I851 HydrophobicContact CB-CD1 3.95Å; A842-I851 HydrophobicContact CB-CG1 3.88Å; I851-K853 PolarHBondContact O-N 2.9Å; I851-L884 HydrophobicContact CG1-CB 4.23Å; I851-L884 HydrophobicContact CG1-CD1 3.97Å
852	A	91.6	Very high	79.6	Confident	2 Å²	2	81.7 Å²	81.7	2%	0.017	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-64.1	124.7	174.8	0	0	0	0	0	109.9	V850 T854 V868 I876 L884 L885	V850-A852 PolarHBondContact O-N 3.09Å; A852-T854 PolarHBondContact O-N 3.11Å; A852-V868 HydrophobicContact CB-CG1 3.93Å; A852-V868 HydrophobicContact CB-CG2 4.17Å; A852-I876 HydrophobicContact CB-CD1 4.13Å; A852-L884 PolarHBondContact N-O 2.85Å; A852-L885 HydrophobicContact CB-CD2 3.53Å
853	K	85.8	Confident	77.3	Confident	170 Å²	170	88.2 Å²	88.2	74%	0.739	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-63.5	135	-179.1	-66.8	172.7	-175.5	165.8	0	109.6	I851 T872	I851-K853 PolarHBondContact O-N 2.9Å; K853-T872 HydrophobicContact CB-CG2 4.44Å
854	T	82.3	Confident	75.1	Confident	72 Å²	72	86.7 Å²	86.7	44%	0.442	49%	0.493	S	S	.	.			trans	-104.1	135.4	177.4	78.1	0	0	0	0	109.3	A852 V867 V868 M1011	A852-T854 PolarHBondContact O-N 3.11Å; T854-V867 WeakPolarHBondContact CA-O 3.46Å; T854-V868 HydrophobicContact CG2-CG2 3.89Å; T854-M1011 HydrophobicContact CG2-CG 4.37Å; T854-M1011 HydrophobicContact CG2-SD 3.54Å; T854-M1011 VanDerWaalsContact CG2-SD 3.54Å
855	E	74.1	Confident	73.1	Confident	65 Å²	65	84.3 Å²	84.3	30%	0.304	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.4	179.7	-67.8	-168.2	168.9	0	0	111.8	K857 G866 V867 R869	E855-K857 PolarHBondContact O-N 2.8Å; E855-G866 CarbonylContact O-C 3.55Å; E855-G866 VanDerWaalsContact O-C 3.24Å; E855-G866 WeakPolarHBondContact O-CA 3.26Å; E855-V867 PolarHBondContact N-O 2.89Å; E855-V867 PolarHBondContact O-N 3.45Å; E855-R869 IonicContact OE1-CZ 2.74Å; E855-R869 IonicContact OE1-NH1 3.42Å; E855-R869 PolarHBondContact OE1-NH1 2.99Å; E855-R869 IonicContact OE1-NH2 3.77Å; E855-R869 PolarHBondContact OE1-NH2 2.85Å; E855-R869 IonicContact OE2-CZ 2.74Å; E855-R869 IonicContact OE2-NE 3.17Å; E855-R869 IonicContact OE2-NH1 3.6Å; E855-R869 IonicContact OE2-NH2 2.7Å; E855-R869 PolarHBondContact OE2-NH2 2.79Å
856	P	71.5	Confident	71.7	Confident	95 Å²	95	82.7 Å²	82.7	62%	0.617	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	124.2	178.7	26.8	-33.9	0	0	0	110.8	D858	P856-D858 VanDerWaalsContact C-N 3.26Å; P856-D858 PolarHBondContact O-N 3.34Å
857	K	58.5	Low	70.8	Confident	116 Å²	116	79.6 Å²	79.6	50%	0.504	46%	0.455	S	S	.	.	S	Bend	trans	-61.5	-31.3	-177	-171	-177.2	175.5	-170.4	0	113.8	E855 V867	E855-K857 PolarHBondContact O-N 2.8Å; K857-V867 HydrophobicContact CB-CG2 3.86Å; K857-V867 HydrophobicContact CD-CG2 4.5Å; K857-V867 HydrophobicContact CG-CG2 4.03Å
858	D	58.2	Low	70.3	Confident	97 Å²	97	72.7 Å²	72.7	52%	0.519	42%	0.418	S	S	.	.	S	Bend	trans	-132.2	133.6	-174.7	-60.2	-77.3	0	0	0	110.2	P856 G860 S861	P856-D858 VanDerWaalsContact C-N 3.26Å; P856-D858 PolarHBondContact O-N 3.34Å; D858-G860 PolarHBondContact O-N 2.94Å; D858-S861 PolarHBondContact O-N 2.99Å; D858-S861 VanDerWaalsContact O-N 3.15Å
859	A	46.1	Very low	69.7	Low	120 Å²	120	74.3 Å²	74.3	99%	0.992	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	108.1	180	0	0	0	0	0	111.1
860	G	53.5	Low	69.2	Low	82 Å²	82	75 Å²	75	85%	0.845	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.9	1.6	-178.2	0	0	0	0	0	115.5	D858	D858-G860 PolarHBondContact O-N 2.94Å
861	S	49.3	Very low	68.7	Low	49 Å²	49	76.6 Å²	76.6	34%	0.343	43%	0.433	S	S	.	.			trans	-93.4	100.7	174.1	-171.3	0	0	0	0	112.1	D858 K863	D858-S861 PolarHBondContact O-N 2.99Å; D858-S861 VanDerWaalsContact O-N 3.15Å; S861-K863 PolarHBondContact O-N 2.84Å
862	E	50.9	Low	68.5	Low	191 Å²	191	73.7 Å²	73.7	89%	0.893	42%	0.419	S	S	*	.			trans	-71	-8.9	175.8	-60.7	-174.1	151.1	0	0	113.6	S864	E862-S864 VanDerWaalsContact C-N 3.28Å; E862-S864 PolarHBondContact O-N 2.97Å
863	K	47.6	Very low	68.4	Low	158 Å²	158	73.6 Å²	73.6	69%	0.687	42%	0.418	S	S	*	.	S	Bend	trans	-83.8	42.5	-164.5	-70.5	-170.1	174.9	-177.7	0	115.5	S861 S865 R1014	S861-K863 PolarHBondContact O-N 2.84Å; K863-S865 PolarHBondContact O-N 3.39Å; K863-R1014 PolarHBondContact O-NH1 3.12Å; K863-R1014 PolarHBondContact O-NH2 3.33Å; K863-R1014 VanDerWaalsContact O-NH2 3.16Å
864	S	49	Very low	68.6	Low	96 Å²	96	70.1 Å²	70.1	67%	0.671	40%	0.4	S	S	*	.	S	Bend	trans	51.1	13.7	160.9	63.4	0	0	0	0	118.8	E862 G866 R1014	E862-S864 VanDerWaalsContact C-N 3.28Å; E862-S864 PolarHBondContact O-N 2.97Å; S864-G866 PolarHBondContact O-N 2.91Å; S864-R1014 VanDerWaalsContact C-NH2 3.27Å; S864-R1014 PolarHBondContact O-NH2 2.7Å; S864-R1014 PolarHBondContact OG-NH2 2.86Å
865	S	52.7	Low	69.1	Low	38 Å²	38	71.4 Å²	71.4	27%	0.266	40%	0.402	S	S	.	.			trans	-88.4	67.7	168.7	55.9	0	0	0	0	108.1	K863	K863-S865 PolarHBondContact O-N 3.39Å
866	G	65.1	Low	70	Confident	4 Å²	4	68.9 Å²	68.9	4%	0.041	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-170	179.7	0	0	0	0	0	112.5	E855 S864 M1011	E855-G866 CarbonylContact O-C 3.55Å; E855-G866 VanDerWaalsContact O-C 3.24Å; E855-G866 WeakPolarHBondContact O-CA 3.26Å; S864-G866 PolarHBondContact O-N 2.91Å; G866-M1011 VanDerWaalsContact O-CB 3.23Å; G866-M1011 WeakPolarHBondContact O-CB 3.36Å; G866-M1011 WeakPolarHBondContact O-CG 3.47Å
867	V	75.6	Confident	71	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.018	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	138.8	172.4	-164	0	0	0	0	109.1	T854 E855 K857 Y1008 L1009	T854-V867 WeakPolarHBondContact CA-O 3.46Å; E855-V867 PolarHBondContact N-O 2.89Å; E855-V867 PolarHBondContact O-N 3.45Å; K857-V867 HydrophobicContact CB-CG2 3.86Å; K857-V867 HydrophobicContact CD-CG2 4.5Å; K857-V867 HydrophobicContact CG-CG2 4.03Å; V867-Y1008 HydrophobicContact CB-CD1 3.87Å; V867-Y1008 HydrophobicContact CG1-CD1 3.7Å; V867-Y1008 HydrophobicContact CG1-CG 4.19Å; V867-Y1008 HydrophobicContact CG2-CD1 4.07Å; V867-L1009 VanDerWaalsContact CG1-C 3.45Å; V867-L1009 VanDerWaalsContact CG1-N 3.35Å; V867-L1009 WeakPolarHBondContact CG1-O 3.42Å
868	V	82.4	Confident	72.7	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.8	172.4	172.8	0	0	0	0	108.9	A852 T854 I873 L885 L1009 M1011	A852-V868 HydrophobicContact CB-CG1 3.93Å; A852-V868 HydrophobicContact CB-CG2 4.17Å; T854-V868 HydrophobicContact CG2-CG2 3.89Å; V868-I873 HydrophobicContact CG1-CD1 3.83Å; V868-I873 HydrophobicContact CG1-CG1 3.67Å; V868-L885 HydrophobicContact CG1-CD2 4.4Å; V868-L1009 PolarHBondContact N-O 2.92Å; V868-L1009 WeakPolarHBondContact O-CB 3.45Å; V868-L1009 PolarHBondContact O-N 2.98Å; V868-M1011 HydrophobicContact CB-CE 4.2Å; V868-M1011 HydrophobicContact CG2-CE 3.58Å; V868-M1011 HydrophobicContact CG2-SD 4.13Å
869	R	83.6	Confident	74.4	Confident	77 Å²	77	67.6 Å²	67.6	29%	0.291	38%	0.375	S	S	.	.			trans	-83.4	147.1	171.1	-60.3	-149.6	-160.9	84.9	-4	111.9	E855 N871 T872 I873 D1007	E855-R869 IonicContact OE1-CZ 2.74Å; E855-R869 IonicContact OE1-NH1 3.42Å; E855-R869 PolarHBondContact OE1-NH1 2.99Å; E855-R869 IonicContact OE1-NH2 3.77Å; E855-R869 PolarHBondContact OE1-NH2 2.85Å; E855-R869 IonicContact OE2-CZ 2.74Å; E855-R869 IonicContact OE2-NE 3.17Å; E855-R869 IonicContact OE2-NH1 3.6Å; E855-R869 IonicContact OE2-NH2 2.7Å; E855-R869 PolarHBondContact OE2-NH2 2.79Å; R869-N871 VanDerWaalsContact C-N 3.26Å; R869-N871 PolarHBondContact O-N 2.69Å; R869-T872 PolarHBondContact O-N 3.27Å; R869-I873 PolarHBondContact O-N 2.9Å; R869-D1007 VanDerWaalsContact CA-O 3.25Å; R869-D1007 WeakPolarHBondContact CA-O 3.44Å; R869-D1007 WeakPolarHBondContact CG-O 2.93Å
870	L	84.8	Confident	76.8	Confident	17 Å²	17	65.9 Å²	65.9	9%	0.089	35%	0.349	C	S	.	.	H	α-helix	trans	-59	-38	172.4	-72.8	169.4	0	0	0	111.9	T872 I873 R874 L895 L1001 A1006 L1009	L870-T872 PolarHBondContact O-N 3.28Å; L870-I873 WeakPolarHBondContact O-CB 3.31Å; L870-I873 PolarHBondContact O-N 3.02Å; L870-I873 VanDerWaalsContact O-N 3.13Å; L870-R874 PolarHBondContact O-N 3.23Å; L870-L895 HydrophobicContact CD2-CD2 4.06Å; L870-L1001 HydrophobicContact CD1-CD1 4.47Å; L870-A1006 WeakPolarHBondContact CD1-O 3.37Å; L870-L1009 HydrophobicContact CD2-CD1 3.82Å; L870-L1009 HydrophobicContact CD2-CD2 4.47Å; L870-L1009 HydrophobicContact CD2-CG 4.27Å; L870-L1009 HydrophobicContact CG-CD1 4.42Å; L870-L1009 HydrophobicContact CG-CG 4.49Å
871	N	86.5	Confident	78.8	Confident	79 Å²	79	63.1 Å²	63.1	42%	0.422	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-38.6	176.2	-69.1	-9.3	0	0	0	112.6	R869 I873 R874 E875	R869-N871 VanDerWaalsContact C-N 3.26Å; R869-N871 PolarHBondContact O-N 2.69Å; N871-I873 PolarHBondContact O-N 3.24Å; N871-R874 WeakPolarHBondContact O-CB 3.23Å; N871-R874 PolarHBondContact O-N 3.3Å; N871-R874 VanDerWaalsContact O-N 3.13Å; N871-E875 WeakPolarHBondContact O-CB 3.27Å; N871-E875 VanDerWaalsContact O-CG 3.26Å; N871-E875 WeakPolarHBondContact O-CG 3.47Å; N871-E875 PolarHBondContact O-N 3.28Å
872	T	89.3	Confident	81.1	Confident	16 Å²	16	60.9 Å²	60.9	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-26.6	175	-53.5	0	0	0	0	112.5	K853 R869 L870 I876	K853-T872 HydrophobicContact CB-CG2 4.44Å; R869-T872 PolarHBondContact O-N 3.27Å; L870-T872 PolarHBondContact O-N 3.28Å; T872-I876 VanDerWaalsContact O-CD1 3.3Å; T872-I876 WeakPolarHBondContact O-CD1 3.24Å; T872-I876 VanDerWaalsContact O-CG1 3.3Å; T872-I876 WeakPolarHBondContact O-CG1 3.5Å
873	I	90.8	Very high	83.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-74	-46.4	171	-61.1	177.9	0	0	0	109.9	P826 V868 R869 L870 N871 E875 I876 I877 A883 L885 L895 L1009	P826-I873 HydrophobicContact CB-CG2 4.39Å; P826-I873 HydrophobicContact CG-CG2 3.68Å; V868-I873 HydrophobicContact CG1-CD1 3.83Å; V868-I873 HydrophobicContact CG1-CG1 3.67Å; R869-I873 PolarHBondContact O-N 2.9Å; L870-I873 WeakPolarHBondContact O-CB 3.31Å; L870-I873 PolarHBondContact O-N 3.02Å; L870-I873 VanDerWaalsContact O-N 3.13Å; N871-I873 PolarHBondContact O-N 3.24Å; I873-E875 PolarHBondContact O-N 3.02Å; I873-I876 PolarHBondContact O-N 2.7Å; I873-I877 HydrophobicContact CG2-CD1 3.77Å; I873-I877 HydrophobicContact CG2-CG1 4.46Å; I873-I877 WeakPolarHBondContact O-CG1 3.48Å; I873-I877 PolarHBondContact O-N 3.18Å; I873-I877 VanDerWaalsContact O-N 3.1Å; I873-A883 HydrophobicContact CG2-CB 4.35Å; I873-L885 HydrophobicContact CD1-CD1 3.87Å; I873-L885 HydrophobicContact CD1-CD2 3.92Å; I873-L885 HydrophobicContact CG1-CD2 3.93Å; I873-L895 HydrophobicContact CD1-CD2 4.06Å; I873-L1009 HydrophobicContact CD1-CD1 3.53Å
874	R	90.1	Very high	85.6	Confident	97 Å²	97	44.2 Å²	44.2	37%	0.366	22%	0.223	S	C	.	.	H	α-helix	trans	-55.4	-51	176.4	-178.4	-165.9	-66.3	-86.7	2.1	111.9	L870 N871 I876 I877 E878 W900	L870-R874 PolarHBondContact O-N 3.23Å; N871-R874 WeakPolarHBondContact O-CB 3.23Å; N871-R874 PolarHBondContact O-N 3.3Å; N871-R874 VanDerWaalsContact O-N 3.13Å; R874-I876 PolarHBondContact O-N 2.96Å; R874-I877 PolarHBondContact O-N 3.15Å; R874-E878 VanDerWaalsContact CD-OE1 3.29Å; R874-E878 WeakPolarHBondContact CD-OE1 3.35Å; R874-E878 HydrophobicContact CG-CG 4.33Å; R874-E878 WeakPolarHBondContact CG-OE1 3.48Å; R874-E878 WeakPolarHBondContact O-CG 3.41Å; R874-E878 PolarHBondContact O-N 3.43Å; R874-W900 HydrophobicContact CB-CH2 4.47Å
875	E	91.9	Very high	87.7	Confident	100 Å²	100	39.7 Å²	39.7	47%	0.467	19%	0.192	S	C	.	.	H	α-helix	trans	-54	-35.9	179	-74.5	160.9	-153.3	0	0	113.1	N871 I873 Q879	N871-E875 WeakPolarHBondContact O-CB 3.27Å; N871-E875 VanDerWaalsContact O-CG 3.26Å; N871-E875 WeakPolarHBondContact O-CG 3.47Å; N871-E875 PolarHBondContact O-N 3.28Å; I873-E875 PolarHBondContact O-N 3.02Å; E875-Q879 WeakPolarHBondContact O-CG 3.35Å; E875-Q879 PolarHBondContact O-NE2 2.91Å
876	I	93.3	Very high	89.4	Confident	11 Å²	11	41.7 Å²	41.7	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-78.4	-37.7	178.7	-64.8	167.9	0	0	0	110.8	V850 A852 T872 I873 R874 Q879 L881 A883	V850-I876 HydrophobicContact CB-CD1 4.31Å; V850-I876 HydrophobicContact CB-CG1 4.49Å; V850-I876 HydrophobicContact CB-CG2 3.99Å; V850-I876 HydrophobicContact CG1-CD1 3.9Å; V850-I876 HydrophobicContact CG1-CG1 4.2Å; A852-I876 HydrophobicContact CB-CD1 4.13Å; T872-I876 VanDerWaalsContact O-CD1 3.3Å; T872-I876 WeakPolarHBondContact O-CD1 3.24Å; T872-I876 VanDerWaalsContact O-CG1 3.3Å; T872-I876 WeakPolarHBondContact O-CG1 3.5Å; I873-I876 PolarHBondContact O-N 2.7Å; R874-I876 PolarHBondContact O-N 2.96Å; I876-Q879 WeakPolarHBondContact O-CB 3.29Å; I876-Q879 PolarHBondContact O-N 2.95Å; I876-L881 HydrophobicContact CG2-CB 3.82Å; I876-L881 PolarHBondContact O-N 2.97Å; I876-A883 HydrophobicContact CB-CB 4.08Å; I876-A883 HydrophobicContact CD1-CB 4.02Å; I876-A883 HydrophobicContact CG2-CB 3.81Å
877	I	92.8	Very high	90.5	Very high	19 Å²	19	41.8 Å²	41.8	10%	0.097	20%	0.199	C	C	.	.	H	α-helix	trans	-67.4	-37.8	177.3	-66.9	172.2	0	0	0	111.2	F823 P826 I873 R874 Q879 D880 W900	F823-I877 HydrophobicContact CB-CG2 3.71Å; F823-I877 HydrophobicContact CD2-CD1 4.04Å; F823-I877 HydrophobicContact CD2-CG1 4.49Å; F823-I877 HydrophobicContact CD2-CG2 3.65Å; F823-I877 HydrophobicContact CE2-CD1 4.11Å; F823-I877 HydrophobicContact CG-CG2 3.98Å; P826-I877 HydrophobicContact CG-CD1 4.02Å; I873-I877 HydrophobicContact CG2-CD1 3.77Å; I873-I877 HydrophobicContact CG2-CG1 4.46Å; I873-I877 WeakPolarHBondContact O-CG1 3.48Å; I873-I877 PolarHBondContact O-N 3.18Å; I873-I877 VanDerWaalsContact O-N 3.1Å; R874-I877 PolarHBondContact O-N 3.15Å; I877-Q879 PolarHBondContact O-N 3.29Å; I877-Q879 VanDerWaalsContact O-N 3.12Å; I877-D880 PolarHBondContact O-N 3.46Å; I877-W900 HydrophobicContact CD1-CE3 3.51Å; I877-W900 HydrophobicContact CD1-CH2 4.33Å; I877-W900 HydrophobicContact CD1-CZ3 3.38Å; I877-W900 HydrophobicContact CG2-CZ3 4.5Å
878	E	93.1	Very high	91.1	Very high	137 Å²	137	42.3 Å²	42.3	64%	0.64	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.7	174.7	-73.1	169.3	178	0	0	113.2	R874	R874-E878 VanDerWaalsContact CD-OE1 3.29Å; R874-E878 WeakPolarHBondContact CD-OE1 3.35Å; R874-E878 HydrophobicContact CG-CG 4.33Å; R874-E878 WeakPolarHBondContact CG-OE1 3.48Å; R874-E878 WeakPolarHBondContact O-CG 3.41Å; R874-E878 PolarHBondContact O-N 3.43Å
879	Q	94.9	Very high	91.3	Very high	125 Å²	125	43.3 Å²	43.3	58%	0.584	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	5.4	174	-64.7	166.5	47.5	0	0	113.6	E875 I876 I877 L881	E875-Q879 WeakPolarHBondContact O-CG 3.35Å; E875-Q879 PolarHBondContact O-NE2 2.91Å; I876-Q879 WeakPolarHBondContact O-CB 3.29Å; I876-Q879 PolarHBondContact O-N 2.95Å; I877-Q879 PolarHBondContact O-N 3.29Å; I877-Q879 VanDerWaalsContact O-N 3.12Å; Q879-L881 VanDerWaalsContact C-N 3.34Å; Q879-L881 HydrophobicContact CB-CD1 3.88Å; Q879-L881 HydrophobicContact CB-CG 4.1Å
880	D	95.4	Very high	91.4	Very high	84 Å²	84	44.7 Å²	44.7	45%	0.449	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	41.7	-166.7	-162.7	57.1	0	0	0	113.6	R824 I877	R824-D880 HydrophobicContact CG-CB 4.48Å; R824-D880 WeakPolarHBondContact CG-OD1 3.09Å; R824-D880 IonicContact CZ-OD2 3.53Å; R824-D880 IonicContact NE-OD1 2.68Å; R824-D880 PolarHBondContact NE-OD1 3.42Å; R824-D880 IonicContact NE-OD2 3.85Å; R824-D880 PolarHBondContact NE-OD2 3.33Å; R824-D880 IonicContact NH2-OD2 3.79Å; R824-D880 PolarHBondContact NH2-OD2 2.79Å; I877-D880 PolarHBondContact O-N 3.46Å
881	L	96.5	Very high	91.5	Very high	24 Å²	24	44.1 Å²	44.1	13%	0.126	21%	0.214	C	C	.	.			trans	-119.1	147.6	179.2	-61.3	172.2	0	0	0	112.4	R824 N847 V850 I876 Q879 A883	R824-L881 WeakPolarHBondContact CB-O 3.47Å; N847-L881 VanDerWaalsContact C-CD2 3.47Å; N847-L881 VanDerWaalsContact O-CD2 3.29Å; N847-L881 WeakPolarHBondContact O-CD2 3.19Å; V850-L881 HydrophobicContact CG2-CB 4.29Å; V850-L881 HydrophobicContact CG2-CD1 3.63Å; V850-L881 HydrophobicContact CG2-CG 4.49Å; I876-L881 HydrophobicContact CG2-CB 3.82Å; I876-L881 PolarHBondContact O-N 2.97Å; Q879-L881 VanDerWaalsContact C-N 3.34Å; Q879-L881 HydrophobicContact CB-CD1 3.88Å; Q879-L881 HydrophobicContact CB-CG 4.1Å; L881-A883 PolarHBondContact O-N 3.38Å
882	H	96.8	Very high	91.7	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	112.3	173.2	-70	-78	0	0	0	110.6	R824 R825 V827 E848 F849 V850 L884 Q973	R824-H882 WeakPolarHBondContact CD-NE2 3.35Å; R824-H882 PolarHBondContact NH1-NE2 2.89Å; R825-H882 PolarHBondContact O-ND1 3.46Å; V827-H882 HydrophobicContact CG2-CB 3.95Å; E848-H882 WeakPolarHBondContact O-CB 3.42Å; E848-H882 PolarHBondContact O-CD2 3.05Å; E848-H882 PolarHBondContact O-N 2.87Å; F849-H882 WeakPolarHBondContact CA-O 3.28Å; F849-H882 HydrophobicContact CD1-CB 3.58Å; F849-H882 HydrophobicContact CE1-CB 3.74Å; F849-H882 HydrophobicContact CG-CB 4.47Å; V850-H882 PolarHBondContact N-O 3.26Å; H882-L884 PolarHBondContact O-N 2.93Å; H882-Q973 PolarHBondContact CE1-OE1 3.35Å
883	A	96.2	Very high	91.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	113.2	172.4	0	0	0	0	0	111.2	P826 V827 V850 I873 I876 L881 L885	P826-A883 CarbonylContact C-O 3.5Å; P826-A883 WeakPolarHBondContact CA-O 3.16Å; P826-A883 HydrophobicContact CB-CB 4.38Å; V827-A883 PolarHBondContact N-O 2.91Å; V850-A883 CarbonylContact O-C 3.59Å; V850-A883 WeakPolarHBondContact O-CA 3.29Å; I873-A883 HydrophobicContact CG2-CB 4.35Å; I876-A883 HydrophobicContact CB-CB 4.08Å; I876-A883 HydrophobicContact CD1-CB 4.02Å; I876-A883 HydrophobicContact CG2-CB 3.81Å; L881-A883 PolarHBondContact O-N 3.38Å; A883-L885 HydrophobicContact CB-CD2 4.06Å
884	L	96.3	Very high	91.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.4	173.5	-66.3	164.3	0	0	0	110.2	V827 I829 L841 A842 F849 V850 I851 A852 H882	V827-L884 HydrophobicContact CB-CD2 4.02Å; V827-L884 HydrophobicContact CG1-CD2 3.89Å; V827-L884 WeakPolarHBondContact O-CA 3.32Å; I829-L884 HydrophobicContact CD1-CD2 4.4Å; L841-L884 HydrophobicContact CB-CD1 3.89Å; L841-L884 HydrophobicContact CB-CD2 4.46Å; L841-L884 HydrophobicContact CD1-CD2 3.83Å; A842-L884 HydrophobicContact CB-CD1 4.26Å; F849-L884 HydrophobicContact CB-CD1 3.87Å; F849-L884 HydrophobicContact CB-CG 4.28Å; F849-L884 HydrophobicContact CD1-CD1 4.44Å; F849-L884 HydrophobicContact CD1-CD2 3.97Å; F849-L884 HydrophobicContact CD1-CG 4.15Å; F849-L884 HydrophobicContact CG-CD1 4.5Å; V850-L884 PolarHBondContact O-N 3.31Å; I851-L884 HydrophobicContact CG1-CB 4.23Å; I851-L884 HydrophobicContact CG1-CD1 3.97Å; A852-L884 PolarHBondContact N-O 2.85Å; H882-L884 PolarHBondContact O-N 2.93Å
885	L	93.4	Very high	91.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.6	-167.3	-53.4	-173.1	0	0	0	113.9	P826 V827 V828 A852 V868 I873 A883 V887 L895	P826-L885 HydrophobicContact CB-CD1 3.68Å; P826-L885 HydrophobicContact CB-CG 4.17Å; V827-L885 PolarHBondContact O-N 2.94Å; V828-L885 HydrophobicContact CG2-CB 4.18Å; V828-L885 HydrophobicContact CG2-CD1 4.18Å; A852-L885 HydrophobicContact CB-CD2 3.53Å; V868-L885 HydrophobicContact CG1-CD2 4.4Å; I873-L885 HydrophobicContact CD1-CD1 3.87Å; I873-L885 HydrophobicContact CD1-CD2 3.92Å; I873-L885 HydrophobicContact CG1-CD2 3.93Å; A883-L885 HydrophobicContact CB-CD2 4.06Å; L885-V887 HydrophobicContact CB-CB 4.36Å; L885-V887 HydrophobicContact CB-CG1 3.93Å; L885-V887 HydrophobicContact CB-CG2 3.72Å; L885-V887 HydrophobicContact CD1-CG1 4.43Å; L885-V887 HydrophobicContact CD1-CG2 4.31Å; L885-V887 PolarHBondContact O-N 3.34Å; L885-L895 HydrophobicContact CD1-CD1 3.63Å
886	D	89.1	Confident	91.2	Very high	80 Å²	80	34.6 Å²	34.6	43%	0.428	18%	0.175	S	C	.	.			trans	-63.4	25.8	168.6	159.4	119.9	0	0	0	116	M1011	D886-M1011 VanDerWaalsContact C-CE 3.47Å; D886-M1011 VanDerWaalsContact O-CE 3.31Å; D886-M1011 WeakPolarHBondContact O-CE 3.47Å
887	V	87.5	Confident	90.9	Very high	5 Å²	5	37 Å²	37	3%	0.03	18%	0.184	C	C	.	.			trans	-86.5	150.9	-158.8	-73.1	0	0	0	0	115.8	V828 F830 L885 A891 V892 L1009 M1011	V828-V887 HydrophobicContact CB-CG2 4.3Å; V828-V887 HydrophobicContact CG1-CG2 3.68Å; V828-V887 HydrophobicContact CG2-CG2 3.63Å; F830-V887 WeakPolarHBondContact CE1-O 3.31Å; F830-V887 WeakPolarHBondContact CZ-O 3.35Å; L885-V887 HydrophobicContact CB-CB 4.36Å; L885-V887 HydrophobicContact CB-CG1 3.93Å; L885-V887 HydrophobicContact CB-CG2 3.72Å; L885-V887 HydrophobicContact CD1-CG1 4.43Å; L885-V887 HydrophobicContact CD1-CG2 4.31Å; L885-V887 PolarHBondContact O-N 3.34Å; V887-A891 HydrophobicContact CB-CB 3.9Å; V887-A891 HydrophobicContact CG1-CB 4.14Å; V887-V892 HydrophobicContact CG2-CG2 3.88Å; V887-L1009 HydrophobicContact CG1-CB 4.48Å; V887-M1011 HydrophobicContact CB-CE 4.13Å; V887-M1011 HydrophobicContact CG1-CE 3.39Å
888	T	87.9	Confident	90.5	Very high	14 Å²	14	37.5 Å²	37.5	9%	0.086	19%	0.188	C	C	.	.			trans	-69.5	155.6	171	54.5	0	0	0	0	112.9	K890 A891 V892 S1010 D1012	T888-K890 PolarHBondContact O-N 3.47Å; T888-K890 VanDerWaalsContact O-N 3.15Å; T888-A891 WeakPolarHBondContact O-CA 3.44Å; T888-A891 WeakPolarHBondContact O-CB 3.45Å; T888-A891 PolarHBondContact O-N 3.5Å; T888-A891 PolarHBondContact OG1-N 3.38Å; T888-V892 PolarHBondContact O-N 2.86Å; T888-S1010 VanDerWaalsContact CG2-O 3.27Å; T888-S1010 WeakPolarHBondContact CG2-O 3.3Å; T888-S1010 PolarHBondContact OG1-O 2.81Å; T888-D1012 VanDerWaalsContact CG2-N 3.34Å; T888-D1012 WeakPolarHBondContact CG2-O 3.45Å
889	P	88	Confident	90.3	Very high	21 Å²	21	33.8 Å²	33.8	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-51.6	-35.2	170	-29.5	36.7	0	0	0	113.9	F830 V892 D893 L940 C944 L947	F830-P889 HydrophobicContact CE1-CG 4.27Å; F830-P889 HydrophobicContact CZ-CG 3.99Å; P889-V892 WeakPolarHBondContact O-CB 3.22Å; P889-V892 PolarHBondContact O-N 2.93Å; P889-D893 PolarHBondContact O-N 3.4Å; P889-L940 HydrophobicContact CG-CD2 3.59Å; P889-C944 HydrophobicContact CB-CB 4.37Å; P889-L947 HydrophobicContact CB-CD1 3.8Å
890	K	84.3	Confident	90	Very high	107 Å²	107	30.2 Å²	30.2	47%	0.465	15%	0.152	S	C	.	.	H	α-helix	trans	-65.9	-37.1	175.6	-178.3	158.8	-175.8	172.5	0	113.1	V806 T888 T894	V806-K890 HydrophobicContact CG1-CB 4.16Å; V806-K890 HydrophobicContact CG1-CG 4.02Å; V806-K890 HydrophobicContact CG2-CB 4.04Å; T888-K890 PolarHBondContact O-N 3.47Å; T888-K890 VanDerWaalsContact O-N 3.15Å; K890-T894 PolarHBondContact O-N 2.99Å; K890-T894 VanDerWaalsContact O-N 3.1Å; K890-T894 PolarHBondContact O-OG1 2.92Å
891	A	87.1	Confident	89.9	Confident	4 Å²	4	26.7 Å²	26.7	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-71.4	-32.7	173	0	0	0	0	0	111.9	V887 T888 T894 L895 L1009	V887-A891 HydrophobicContact CB-CB 3.9Å; V887-A891 HydrophobicContact CG1-CB 4.14Å; T888-A891 WeakPolarHBondContact O-CA 3.44Å; T888-A891 WeakPolarHBondContact O-CB 3.45Å; T888-A891 PolarHBondContact O-N 3.5Å; T888-A891 PolarHBondContact OG1-N 3.38Å; A891-T894 WeakPolarHBondContact O-CB 3.46Å; A891-T894 PolarHBondContact O-N 2.69Å; A891-L895 WeakPolarHBondContact O-CG 3.01Å; A891-L895 PolarHBondContact O-N 3.36Å; A891-L1009 HydrophobicContact CB-CB 4.1Å; A891-L1009 HydrophobicContact CB-CD2 4.12Å
892	V	90.4	Very high	89.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-46.9	170.8	178.2	0	0	0	0	111.6	V828 F830 V887 T888 P889 T894 L895 N896 P902 V904 L947	V828-V892 HydrophobicContact CB-CG2 4.43Å; V828-V892 HydrophobicContact CG1-CG2 3.91Å; V828-V892 HydrophobicContact CG2-CG2 4.08Å; F830-V892 HydrophobicContact CE2-CG2 4.03Å; F830-V892 HydrophobicContact CZ-CG2 3.87Å; V887-V892 HydrophobicContact CG2-CG2 3.88Å; T888-V892 PolarHBondContact O-N 2.86Å; P889-V892 WeakPolarHBondContact O-CB 3.22Å; P889-V892 PolarHBondContact O-N 2.93Å; V892-T894 PolarHBondContact O-N 2.97Å; V892-L895 PolarHBondContact O-N 2.67Å; V892-N896 PolarHBondContact O-N 2.9Å; V892-N896 PolarHBondContact O-ND2 2.86Å; V892-P902 HydrophobicContact CG1-CG 4.13Å; V892-V904 HydrophobicContact CG1-CG2 3.76Å; V892-L947 HydrophobicContact CB-CD1 4.35Å; V892-L947 HydrophobicContact CG1-CB 4.23Å; V892-L947 HydrophobicContact CG1-CD1 4.34Å
893	D	87.1	Confident	89.9	Confident	11 Å²	11	25.5 Å²	25.5	6%	0.059	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-35.8	173.2	-95.9	-36.2	0	0	0	112.7	V806 T808 P889 N896 Y897 L947	V806-D893 HydrophobicContact CG1-CB 3.98Å; V806-D893 VanDerWaalsContact CG1-OD2 3.24Å; V806-D893 WeakPolarHBondContact CG1-OD2 3.41Å; T808-D893 HydrophobicContact CG2-CB 4.34Å; P889-D893 PolarHBondContact O-N 3.4Å; D893-N896 PolarHBondContact O-N 2.91Å; D893-Y897 WeakPolarHBondContact O-CB 3.48Å; D893-Y897 PolarHBondContact O-N 3.22Å; D893-L947 VanDerWaalsContact OD1-CD2 3.26Å; D893-L947 WeakPolarHBondContact OD1-CD2 3.41Å
894	T	85.5	Confident	89.9	Confident	54 Å²	54	25.6 Å²	25.6	33%	0.331	13%	0.127	S	C	.	.	H	α-helix	trans	-68.2	-40.3	176.4	-53.7	0	0	0	0	111.5	K890 A891 V892 Y897 T898 L1009	K890-T894 PolarHBondContact O-N 2.99Å; K890-T894 VanDerWaalsContact O-N 3.1Å; K890-T894 PolarHBondContact O-OG1 2.92Å; A891-T894 WeakPolarHBondContact O-CB 3.46Å; A891-T894 PolarHBondContact O-N 2.69Å; V892-T894 PolarHBondContact O-N 2.97Å; T894-Y897 PolarHBondContact O-N 2.95Å; T894-T898 PolarHBondContact O-N 3.38Å; T894-T898 PolarHBondContact O-OG1 2.98Å; T894-L1009 HydrophobicContact CG2-CD2 4.05Å
895	L	89.1	Confident	90	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.9	-34.7	173.9	-74.3	167.5	0	0	0	112.8	L870 I873 L885 A891 V892 T898 Q899 W900 Y901 P902 L1009	L870-L895 HydrophobicContact CD2-CD2 4.06Å; I873-L895 HydrophobicContact CD1-CD2 4.06Å; L885-L895 HydrophobicContact CD1-CD1 3.63Å; A891-L895 WeakPolarHBondContact O-CG 3.01Å; A891-L895 PolarHBondContact O-N 3.36Å; V892-L895 PolarHBondContact O-N 2.67Å; L895-T898 WeakPolarHBondContact CA-OG1 3.2Å; L895-T898 PolarHBondContact O-OG1 3.45Å; L895-Q899 PolarHBondContact O-N 3.04Å; L895-W900 HydrophobicContact CD2-CB 4.08Å; L895-W900 HydrophobicContact CD2-CG 4.21Å; L895-W900 PolarHBondContact O-N 3.45Å; L895-Y901 PolarHBondContact O-N 3.11Å; L895-P902 HydrophobicContact CB-CG 4.02Å; L895-P902 HydrophobicContact CD1-CG 4.24Å; L895-L1009 HydrophobicContact CD1-CD1 4.18Å; L895-L1009 HydrophobicContact CD2-CD1 3.82Å; L895-L1009 HydrophobicContact CG-CD1 4.02Å
896	N	90.3	Very high	90.2	Very high	27 Å²	27	25.5 Å²	25.5	14%	0.144	13%	0.126	C	C	.	.	H	α-helix	trans	-65.6	-45.2	171.8	-72	-28.7	0	0	0	111.4	F810 V892 D893 T898 Q899 Y901	F810-N896 HydrophobicContact CE2-CB 4.42Å; F810-N896 HydrophobicContact CZ-CB 4.02Å; V892-N896 PolarHBondContact O-N 2.9Å; V892-N896 PolarHBondContact O-ND2 2.86Å; D893-N896 PolarHBondContact O-N 2.91Å; N896-T898 VanDerWaalsContact C-N 3.3Å; N896-T898 PolarHBondContact O-N 3.4Å; N896-Q899 PolarHBondContact O-N 3.18Å; N896-Y901 HydrophobicContact CB-CD1 4.17Å; N896-Y901 HydrophobicContact CB-CE1 4.27Å; N896-Y901 VanDerWaalsContact O-CE1 3.3Å; N896-Y901 WeakPolarHBondContact O-CE1 3.39Å
897	Y	86.6	Confident	90.6	Very high	63 Å²	63	21.7 Å²	21.7	25%	0.247	11%	0.106	C	C	.	.	H	α-helix	trans	-65.7	-33.2	-179.8	-176.6	-94.5	0	0	0	112.9	K809 F810 D893 T894 Q899 R997	K809-Y897 HydrophobicContact CB-CD2 4.28Å; K809-Y897 HydrophobicContact CB-CE2 3.9Å; F810-Y897 AromaticContact CD1-CD2 3.88Å; F810-Y897 HydrophobicContact CD1-CD2 3.88Å; F810-Y897 HydrophobicContact CD2-CD2 4.32Å; F810-Y897 AromaticContact CE1-CD2 3.9Å; F810-Y897 HydrophobicContact CE1-CD2 3.9Å; F810-Y897 HydrophobicContact CE2-CD2 4.34Å; F810-Y897 HydrophobicContact CG-CD2 4.11Å; F810-Y897 VanDerWaalsContact CZ-CA 3.45Å; F810-Y897 HydrophobicContact CZ-CD2 4.14Å; F810-Y897 HydrophobicContact CZ-CG 4.47Å; D893-Y897 WeakPolarHBondContact O-CB 3.48Å; D893-Y897 PolarHBondContact O-N 3.22Å; T894-Y897 PolarHBondContact O-N 2.95Å; Y897-Q899 VanDerWaalsContact C-N 3.25Å; Y897-Q899 PolarHBondContact O-N 3.01Å; Y897-R997 PolarHBondContact O-NH2 2.89Å
898	T	85.7	Confident	90.9	Very high	28 Å²	28	22.8 Å²	22.8	17%	0.172	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	12.4	173	50.3	0	0	0	0	113.6	T894 L895 N896 W900 L1001	T894-T898 PolarHBondContact O-N 3.38Å; T894-T898 PolarHBondContact O-OG1 2.98Å; L895-T898 WeakPolarHBondContact CA-OG1 3.2Å; L895-T898 PolarHBondContact O-OG1 3.45Å; N896-T898 VanDerWaalsContact C-N 3.3Å; N896-T898 PolarHBondContact O-N 3.4Å; T898-W900 PolarHBondContact O-N 2.91Å; T898-W900 VanDerWaalsContact O-N 3.11Å; T898-L1001 HydrophobicContact CG2-CD1 4.4Å; T898-L1001 HydrophobicContact CG2-CD2 3.76Å
899	Q	88.5	Confident	91.3	Very high	59 Å²	59	22.6 Å²	22.6	28%	0.276	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	13.3	171.4	-56.1	-173.6	-45	0	0	116.7	L895 N896 Y897 Y901 S980 R997	L895-Q899 PolarHBondContact O-N 3.04Å; N896-Q899 PolarHBondContact O-N 3.18Å; Y897-Q899 VanDerWaalsContact C-N 3.25Å; Y897-Q899 PolarHBondContact O-N 3.01Å; Q899-Y901 VanDerWaalsContact CA-CE2 3.49Å; Q899-Y901 HydrophobicContact CB-CD2 4.22Å; Q899-Y901 HydrophobicContact CB-CE2 3.69Å; Q899-Y901 HydrophobicContact CG-CE2 3.88Å; Q899-Y901 WeakPolarHBondContact O-CD2 3.39Å; Q899-Y901 PolarHBondContact O-N 3.36Å; Q899-S980 PolarHBondContact NE2-OG 2.89Å; Q899-R997 VanDerWaalsContact CD-NH1 3.31Å
900	W	88.9	Confident	91.4	Very high	50 Å²	50	25 Å²	25	19%	0.189	12%	0.122	C	C	.	.			trans	-72.1	-18.7	169	-66.5	104.5	0	0	0	113.1	F823 R874 I877 L895 T898	F823-W900 AromaticContact CE2-CE3 3.78Å; F823-W900 HydrophobicContact CE2-CE3 3.78Å; F823-W900 HydrophobicContact CE2-CZ3 4.23Å; F823-W900 AromaticContact CZ-CE3 3.92Å; F823-W900 HydrophobicContact CZ-CE3 3.92Å; F823-W900 HydrophobicContact CZ-CZ3 4.46Å; R874-W900 HydrophobicContact CB-CH2 4.47Å; I877-W900 HydrophobicContact CD1-CE3 3.51Å; I877-W900 HydrophobicContact CD1-CH2 4.33Å; I877-W900 HydrophobicContact CD1-CZ3 3.38Å; I877-W900 HydrophobicContact CG2-CZ3 4.5Å; L895-W900 HydrophobicContact CD2-CB 4.08Å; L895-W900 HydrophobicContact CD2-CG 4.21Å; L895-W900 PolarHBondContact O-N 3.45Å; T898-W900 PolarHBondContact O-N 2.91Å; T898-W900 VanDerWaalsContact O-N 3.11Å
901	Y	93.1	Very high	91.9	Very high	11 Å²	11	22 Å²	22	4%	0.043	12%	0.115	C	C	.	.			trans	33.2	68.9	175.6	-63.6	-67.6	0	0	0	114.3	E814 R825 L895 N896 Q899 V977 V979 S980	E814-Y901 PolarHBondContact OE1-OH 2.71Å; R825-Y901 VanDerWaalsContact CZ-O 3.22Å; R825-Y901 PolarHBondContact NE-O 3.1Å; R825-Y901 PolarHBondContact NH2-O 3.41Å; L895-Y901 PolarHBondContact O-N 3.11Å; N896-Y901 HydrophobicContact CB-CD1 4.17Å; N896-Y901 HydrophobicContact CB-CE1 4.27Å; N896-Y901 VanDerWaalsContact O-CE1 3.3Å; N896-Y901 WeakPolarHBondContact O-CE1 3.39Å; Q899-Y901 VanDerWaalsContact CA-CE2 3.49Å; Q899-Y901 HydrophobicContact CB-CD2 4.22Å; Q899-Y901 HydrophobicContact CB-CE2 3.69Å; Q899-Y901 HydrophobicContact CG-CE2 3.88Å; Q899-Y901 WeakPolarHBondContact O-CD2 3.39Å; Q899-Y901 PolarHBondContact O-N 3.36Å; Y901-V977 HydrophobicContact CD2-CG1 4.25Å; Y901-V977 HydrophobicContact CG-CG1 4.03Å; Y901-V979 HydrophobicContact CD2-CG2 4.04Å; Y901-V979 HydrophobicContact CE2-CB 4.03Å; Y901-V979 HydrophobicContact CE2-CG1 4.03Å; Y901-V979 HydrophobicContact CE2-CG2 3.79Å; Y901-S980 PolarHBondContact OH-N 2.95Å; Y901-S980 PolarHBondContact OH-OG 3.03Å
902	P	95.8	Very high	92.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.13	C	C	.	.			trans	-55.1	154.6	-177.8	21.7	-34.5	0	0	0	113.4	R825 P826 V828 V892 L895 V904	R825-P902 PolarHBondContact NH2-O 3.34Å; R825-P902 VanDerWaalsContact NH2-O 3.08Å; P826-P902 HydrophobicContact CB-CB 4.28Å; P826-P902 CarbonylContact O-C 3.59Å; P826-P902 WeakPolarHBondContact O-CA 3.43Å; P826-P902 WeakPolarHBondContact O-CB 3.15Å; V828-P902 HydrophobicContact CG2-CB 3.83Å; V828-P902 HydrophobicContact CG2-CG 4.28Å; V892-P902 HydrophobicContact CG1-CG 4.13Å; L895-P902 HydrophobicContact CB-CG 4.02Å; L895-P902 HydrophobicContact CD1-CG 4.24Å; P902-V904 HydrophobicContact CB-CG2 4.28Å; P902-V904 HydrophobicContact CG-CG2 4.14Å
903	I	97.6	Very high	92.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	118.8	164.2	-63.4	167.5	0	0	0	106.7	R825 P826 V827 V828 V905 I969 Q972 Q973	R825-I903 HydrophobicContact CB-CD1 4Å; R825-I903 HydrophobicContact CB-CG1 3.92Å; P826-I903 PolarHBondContact O-N 2.88Å; V827-I903 WeakPolarHBondContact CA-O 3.28Å; V827-I903 HydrophobicContact CG2-CB 4.27Å; V827-I903 HydrophobicContact CG2-CD1 4.47Å; V828-I903 PolarHBondContact N-O 2.9Å; I903-V905 HydrophobicContact CG2-CG2 4.1Å; I903-I969 HydrophobicContact CD1-CG2 4.24Å; I903-I969 HydrophobicContact CG2-CG1 4.46Å; I903-Q972 HydrophobicContact CD1-CB 4.23Å; I903-Q972 HydrophobicContact CG1-CB 4.09Å; I903-Q972 HydrophobicContact CG2-CB 3.75Å; I903-Q972 HydrophobicContact CG2-CG 4.35Å; I903-Q973 HydrophobicContact CD1-CB 3.95Å
904	V	97	Very high	92.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	106.4	-174.1	-174.5	0	0	0	0	109.3	V828 F830 V892 P902 L947 F948 T949 A950	V828-V904 HydrophobicContact CB-CG1 4.44Å; V828-V904 HydrophobicContact CB-CG2 4.27Å; V828-V904 WeakPolarHBondContact O-CA 3.46Å; F830-V904 HydrophobicContact CD2-CG1 3.69Å; F830-V904 HydrophobicContact CE2-CG1 3.76Å; V892-V904 HydrophobicContact CG1-CG2 3.76Å; P902-V904 HydrophobicContact CB-CG2 4.28Å; P902-V904 HydrophobicContact CG-CG2 4.14Å; V904-L947 WeakPolarHBondContact CB-O 3.5Å; V904-L947 WeakPolarHBondContact CG1-O 3.44Å; V904-L947 WeakPolarHBondContact CG2-O 3.5Å; V904-F948 HydrophobicContact CG1-CD1 3.99Å; V904-T949 HydrophobicContact CB-CG2 4.42Å; V904-T949 PolarHBondContact N-OG1 2.96Å; V904-T949 PolarHBondContact O-N 2.86Å; V904-T949 PolarHBondContact O-OG1 3.1Å; V904-T949 VanDerWaalsContact O-OG1 3.11Å; V904-A950 PolarHBondContact O-N 2.87Å; V904-A950 VanDerWaalsContact O-N 3.11Å
905	V	97.5	Very high	93.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.7	-177.8	-175	0	0	0	0	109.5	V828 I829 F830 I903 L907 I952 I969	V828-V905 PolarHBondContact O-N 3.11Å; I829-V905 WeakPolarHBondContact CA-O 3.49Å; F830-V905 PolarHBondContact N-O 3.43Å; I903-V905 HydrophobicContact CG2-CG2 4.1Å; V905-L907 HydrophobicContact CG1-CD2 4Å; V905-I952 HydrophobicContact CG1-CD1 3.58Å; V905-I952 HydrophobicContact CG1-CG1 4.13Å; V905-I969 HydrophobicContact CG2-CG1 4.1Å
906	F	97.6	Very high	93.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.1	173.7	-179.7	-105	0	0	0	111.8	F830 N908 A937 L940 K941 F948 A950 T951 I952	F830-F906 HydrophobicContact CB-CD2 3.84Å; F830-F906 CarbonylContact O-C 3.49Å; F830-F906 WeakPolarHBondContact O-CA 3.31Å; F906-N908 HydrophobicContact CD1-CB 4Å; F906-N908 HydrophobicContact CE1-CB 3.62Å; F906-N908 PolarHBondContact O-N 2.93Å; F906-A937 HydrophobicContact CE2-CB 4.39Å; F906-A937 HydrophobicContact CZ-CB 4.28Å; F906-A937 WeakPolarHBondContact CZ-O 3.34Å; F906-L940 HydrophobicContact CE2-CB 4.36Å; F906-K941 HydrophobicContact CD1-CG 4.38Å; F906-K941 HydrophobicContact CE1-CB 3.88Å; F906-K941 HydrophobicContact CE1-CD 3.79Å; F906-K941 HydrophobicContact CE1-CG 3.76Å; F906-K941 HydrophobicContact CZ-CB 3.77Å; F906-K941 HydrophobicContact CZ-CD 4.42Å; F906-K941 HydrophobicContact CZ-CG 4.2Å; F906-F948 HydrophobicContact CB-CB 4.39Å; F906-F948 HydrophobicContact CB-CD1 4.06Å; F906-F948 HydrophobicContact CB-CD2 3.4Å; F906-F948 HydrophobicContact CB-CE1 4.17Å; F906-F948 HydrophobicContact CB-CE2 3.52Å; F906-F948 HydrophobicContact CB-CG 3.7Å; F906-F948 HydrophobicContact CB-CZ 3.92Å; F906-F948 HydrophobicContact CD1-CD2 4.1Å; F906-F948 AromaticContact CD1-CE2 3.67Å; F906-F948 HydrophobicContact CD1-CE2 3.67Å; F906-F948 HydrophobicContact CD1-CZ 4.4Å; F906-F948 HydrophobicContact CD2-CD2 4.36Å; F906-F948 HydrophobicContact CD2-CE1 4.13Å; F906-F948 AromaticContact CD2-CE2 3.57Å; F906-F948 HydrophobicContact CD2-CE2 3.57Å; F906-F948 AromaticContact CD2-CZ 3.44Å; F906-F948 HydrophobicContact CD2-CZ 3.44Å; F906-F948 VanDerWaalsContact CD2-CZ 3.44Å; F906-F948 HydrophobicContact CE1-CE2 4.3Å; F906-F948 HydrophobicContact CE2-CE2 4.22Å; F906-F948 HydrophobicContact CE2-CZ 4.07Å; F906-F948 AromaticContact CG-CD2 3.7Å; F906-F948 HydrophobicContact CG-CD2 3.7Å; F906-F948 HydrophobicContact CG-CE1 4.34Å; F906-F948 AromaticContact CG-CE2 3.27Å; F906-F948 HydrophobicContact CG-CE2 3.27Å; F906-F948 HydrophobicContact CG-CG 4.4Å; F906-F948 AromaticContact CG-CZ 3.65Å; F906-F948 HydrophobicContact CG-CZ 3.65Å; F906-A950 PolarHBondContact N-O 2.99Å; F906-T951 HydrophobicContact CD1-CG2 4.06Å; F906-T951 CarbonylContact O-C 3.42Å; F906-T951 WeakPolarHBondContact O-CA 3.28Å; F906-I952 PolarHBondContact O-N 3.43Å
907	L	96.4	Very high	93.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	97	177.8	-54	-178.5	0	0	0	109.3	I829 F830 P832 I833 V837 V905 P909 I952 L954 V965	I829-L907 HydrophobicContact CG2-CD1 3.63Å; I829-L907 HydrophobicContact CG2-CG 3.93Å; F830-L907 PolarHBondContact O-N 2.92Å; P832-L907 WeakPolarHBondContact CD-O 3.41Å; I833-L907 HydrophobicContact CD1-CD1 4.31Å; I833-L907 HydrophobicContact CG1-CD1 3.76Å; V837-L907 HydrophobicContact CG2-CD1 3.5Å; V905-L907 HydrophobicContact CG1-CD2 4Å; L907-P909 WeakPolarHBondContact O-CD 3.46Å; L907-I952 HydrophobicContact CD2-CB 4.07Å; L907-I952 HydrophobicContact CD2-CD1 4.13Å; L907-L954 HydrophobicContact CB-CD1 3.96Å; L907-L954 HydrophobicContact CB-CD2 4.07Å; L907-L954 HydrophobicContact CB-CG 4.05Å; L907-L954 HydrophobicContact CD2-CD2 4.45Å; L907-V965 HydrophobicContact CD2-CG2 3.77Å
908	N	95.6	Very high	93.9	Very high	28 Å²	28	34 Å²	34	15%	0.15	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	116.7	-174.6	-177.7	55.1	0	0	0	111.1	F906 K941 T951 I952 D953 L954	F906-N908 HydrophobicContact CD1-CB 4Å; F906-N908 HydrophobicContact CE1-CB 3.62Å; F906-N908 PolarHBondContact O-N 2.93Å; N908-K941 PolarHBondContact ND2-NZ 2.74Å; N908-K941 WeakPolarHBondContact OD1-CD 3.32Å; N908-K941 PolarHBondContact OD1-NZ 2.73Å; N908-T951 HydrophobicContact CB-CG2 4.03Å; N908-I952 PolarHBondContact N-O 3.04Å; N908-D953 WeakPolarHBondContact CB-OD1 3.26Å; N908-D953 PolarHBondContact ND2-OD1 2.85Å; N908-L954 WeakPolarHBondContact O-CB 3.47Å; N908-L954 PolarHBondContact O-N 2.82Å
909	P	94.5	Very high	94.3	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.058	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	141.4	179.7	26.2	-31.7	0	0	0	113.6	P832 L907 V915 Y934 A937	P832-P909 HydrophobicContact CG-CB 4.02Å; P832-P909 HydrophobicContact CG-CG 4.23Å; L907-P909 WeakPolarHBondContact O-CD 3.46Å; P909-V915 HydrophobicContact CB-CG2 3.55Å; P909-V915 HydrophobicContact CG-CG2 4.45Å; P909-Y934 HydrophobicContact CB-CD2 3.81Å; P909-Y934 HydrophobicContact CB-CE2 4.02Å; P909-Y934 HydrophobicContact CG-CD2 3.63Å; P909-Y934 HydrophobicContact CG-CE2 3.8Å; P909-A937 HydrophobicContact CG-CB 4.06Å
910	D	91.2	Very high	94.5	Very high	72 Å²	72	34.6 Å²	34.6	39%	0.385	18%	0.176	S	C	.	.	S	Bend	trans	-63	-46.2	167.9	55.8	3.5	0	0	0	112.7	G914 L954 S956	D910-G914 WeakPolarHBondContact OD1-CA 3.44Å; D910-L954 VanDerWaalsContact CB-O 3.31Å; D910-L954 WeakPolarHBondContact CB-O 3.39Å; D910-L954 PolarHBondContact N-O 2.69Å; D910-S956 WeakPolarHBondContact OD2-CB 3.43Å; D910-S956 PolarHBondContact OD2-N 3.43Å; D910-S956 PolarHBondContact OD2-OG 2.92Å
911	S	94.3	Very high	94.6	Very high	44 Å²	44	36.8 Å²	36.8	31%	0.308	19%	0.185	S	C	.	.			trans	-165	160.1	-176.2	70.3	0	0	0	0	112.9	Q913 G914 V915 Y934	S911-Q913 PolarHBondContact O-N 2.89Å; S911-G914 PolarHBondContact O-N 3.04Å; S911-G914 VanDerWaalsContact O-N 3.13Å; S911-G914 PolarHBondContact OG-N 3.11Å; S911-V915 PolarHBondContact O-N 2.86Å; S911-Y934 VanDerWaalsContact C-CE2 3.48Å
912	K	94.1	Very high	94.5	Very high	84 Å²	84	38 Å²	38	37%	0.365	19%	0.192	S	C	.	.	H	α-helix	trans	-57.7	-33	173.3	175.4	175.9	168.5	178.3	0	113.7	K916 R931 Y934	K912-K916 PolarHBondContact O-N 3.02Å; K912-R931 HydrophobicContact CD-CG 4.45Å; K912-Y934 HydrophobicContact CB-CD1 3.96Å; K912-Y934 HydrophobicContact CB-CD2 4.23Å; K912-Y934 HydrophobicContact CB-CE1 4.36Å; K912-Y934 HydrophobicContact CB-CG 3.9Å
913	Q	94	Very high	94.2	Very high	130 Å²	130	40.1 Å²	40.1	61%	0.607	20%	0.202	S	C	*	.	H	α-helix	trans	-79.2	-37.1	175.7	-62.7	-65.2	7.5	0	0	111.2	S911 V915 K916 T917	S911-Q913 PolarHBondContact O-N 2.89Å; Q913-V915 VanDerWaalsContact C-N 3.35Å; Q913-V915 PolarHBondContact O-N 2.89Å; Q913-K916 WeakPolarHBondContact O-CA 3.3Å; Q913-K916 WeakPolarHBondContact O-CB 3.49Å; Q913-K916 PolarHBondContact O-N 2.88Å; Q913-T917 PolarHBondContact O-N 3.18Å; Q913-T917 PolarHBondContact O-OG1 2.92Å
914	G	93.8	Very high	93.6	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-58.3	-44.5	173.7	0	0	0	0	0	112.6	D910 S911 K916 T917 M918 S956	D910-G914 WeakPolarHBondContact OD1-CA 3.44Å; S911-G914 PolarHBondContact O-N 3.04Å; S911-G914 VanDerWaalsContact O-N 3.13Å; S911-G914 PolarHBondContact OG-N 3.11Å; G914-K916 VanDerWaalsContact C-N 3.31Å; G914-K916 PolarHBondContact O-N 2.68Å; G914-T917 PolarHBondContact O-N 3.17Å; G914-M918 WeakPolarHBondContact O-CG 3.22Å; G914-M918 PolarHBondContact O-N 3.07Å; G914-S956 WeakPolarHBondContact CA-OG 3.36Å; G914-S956 WeakPolarHBondContact O-CB 3.07Å
915	V	95	Very high	92.9	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-56.5	-42.5	171.1	173.6	0	0	0	0	112.1	P832 P909 S911 Q913 R919 A930 Y934	P832-V915 HydrophobicContact CB-CB 4.45Å; P832-V915 HydrophobicContact CB-CG1 3.69Å; P832-V915 HydrophobicContact CB-CG2 3.82Å; P832-V915 HydrophobicContact CG-CG1 4.37Å; P832-V915 HydrophobicContact CG-CG2 3.64Å; P909-V915 HydrophobicContact CB-CG2 3.55Å; P909-V915 HydrophobicContact CG-CG2 4.45Å; S911-V915 PolarHBondContact O-N 2.86Å; Q913-V915 VanDerWaalsContact C-N 3.35Å; Q913-V915 PolarHBondContact O-N 2.89Å; V915-R919 WeakPolarHBondContact O-CG 3.38Å; V915-R919 PolarHBondContact O-N 2.7Å; V915-A930 HydrophobicContact CG1-CB 3.89Å; V915-Y934 HydrophobicContact CG2-CD2 4.13Å
916	K	94.1	Very high	92.4	Very high	118 Å²	118	49.8 Å²	49.8	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-62.6	-49.9	175.8	-171.7	-172.7	175.9	-172.5	0	110.7	K912 Q913 G914 M918 R919 T920 A930	K912-K916 PolarHBondContact O-N 3.02Å; Q913-K916 WeakPolarHBondContact O-CA 3.3Å; Q913-K916 WeakPolarHBondContact O-CB 3.49Å; Q913-K916 PolarHBondContact O-N 2.88Å; G914-K916 VanDerWaalsContact C-N 3.31Å; G914-K916 PolarHBondContact O-N 2.68Å; K916-M918 PolarHBondContact O-N 3.36Å; K916-R919 PolarHBondContact O-N 2.98Å; K916-T920 WeakPolarHBondContact O-CB 3.33Å; K916-T920 PolarHBondContact O-N 2.67Å; K916-T920 PolarHBondContact O-OG1 2.97Å; K916-A930 HydrophobicContact CB-CB 3.94Å; K916-A930 HydrophobicContact CG-CB 4.42Å
917	T	93.8	Very high	91.9	Very high	75 Å²	75	57.8 Å²	57.8	46%	0.46	32%	0.321	S	S	.	.	H	α-helix	trans	-57.8	-45.3	178.8	-58.6	0	0	0	0	112	Q913 G914 R921	Q913-T917 PolarHBondContact O-N 3.18Å; Q913-T917 PolarHBondContact O-OG1 2.92Å; G914-T917 PolarHBondContact O-N 3.17Å; T917-R921 WeakPolarHBondContact O-CB 3.46Å; T917-R921 PolarHBondContact O-N 2.72Å
918	M	93.9	Very high	91.4	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-63.4	-48.3	176.5	-69.5	-173	84.8	0	0	111.9	I833 G914 K916 T920 R921 L922 L954 W961	I833-M918 HydrophobicContact CD1-CE 3.72Å; I833-M918 HydrophobicContact CG2-CB 4.42Å; G914-M918 WeakPolarHBondContact O-CG 3.22Å; G914-M918 PolarHBondContact O-N 3.07Å; K916-M918 PolarHBondContact O-N 3.36Å; M918-T920 PolarHBondContact O-N 3.2Å; M918-R921 PolarHBondContact O-N 2.95Å; M918-R921 VanDerWaalsContact O-N 3.16Å; M918-L922 HydrophobicContact CB-CD1 4.26Å; M918-L922 HydrophobicContact CE-CD1 4.28Å; M918-L922 VanDerWaalsContact O-CB 3.29Å; M918-L922 WeakPolarHBondContact O-CB 3.33Å; M918-L922 VanDerWaalsContact O-CG 3.27Å; M918-L922 WeakPolarHBondContact O-CG 3.44Å; M918-L922 PolarHBondContact O-N 3.24Å; M918-L954 HydrophobicContact CE-CD2 4.48Å; M918-L954 HydrophobicContact SD-CB 4.21Å; M918-L954 HydrophobicContact SD-CD1 4.36Å; M918-W961 HydrophobicContact CE-CG 4.27Å; M918-W961 VanDerWaalsContact CE-NE1 3.3Å
919	R	93.2	Very high	91.2	Very high	11 Å²	11	65 Å²	65	4%	0.042	36%	0.355	C	S	.	.	H	α-helix	trans	-66.4	-37	179.9	-67.9	-168.1	76.2	86	4.8	112.3	P832 I833 D835 V915 K916 R921 L922 I923 S926 L933	P832-R919 PolarHBondContact O-NH1 3.2Å; I833-R919 HydrophobicContact CG2-CG 4.26Å; D835-R919 IonicContact OD1-CZ 2.66Å; D835-R919 IonicContact OD1-NH1 2.82Å; D835-R919 PolarHBondContact OD1-NH1 3.3Å; D835-R919 IonicContact OD1-NH2 3.74Å; D835-R919 IonicContact OD2-CZ 2.65Å; D835-R919 IonicContact OD2-NH1 3.91Å; D835-R919 PolarHBondContact OD2-NH1 3.29Å; D835-R919 VanDerWaalsContact OD2-NH1 3.09Å; D835-R919 IonicContact OD2-NH2 3.36Å; D835-R919 PolarHBondContact OD2-NH2 2.79Å; V915-R919 WeakPolarHBondContact O-CG 3.38Å; V915-R919 PolarHBondContact O-N 2.7Å; K916-R919 PolarHBondContact O-N 2.98Å; R919-R921 VanDerWaalsContact C-N 3.33Å; R919-R921 PolarHBondContact O-N 2.78Å; R919-L922 PolarHBondContact O-N 2.91Å; R919-I923 CarbonylContact O-C 3.51Å; R919-I923 WeakPolarHBondContact O-CA 3.49Å; R919-I923 PolarHBondContact O-N 2.96Å; R919-I923 VanDerWaalsContact O-O 3.07Å; R919-S926 PolarHBondContact NE-OG 3.23Å; R919-S926 PolarHBondContact NH2-OG 2.84Å; R919-L933 VanDerWaalsContact CD-CD1 3.46Å
920	T	92.5	Very high	91.1	Very high	88 Å²	88	65.4 Å²	65.4	54%	0.54	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-34	172.2	-61.9	0	0	0	0	112.6	K916 M918	K916-T920 WeakPolarHBondContact O-CB 3.33Å; K916-T920 PolarHBondContact O-N 2.67Å; K916-T920 PolarHBondContact O-OG1 2.97Å; M918-T920 PolarHBondContact O-N 3.2Å
921	R	92.2	Very high	91.2	Very high	97 Å²	97	68.5 Å²	68.5	37%	0.366	37%	0.365	S	S	.	.	H	α-helix	trans	-73.7	-40.7	174.3	-179.2	169.9	70.6	-110.2	3.2	113.1	T917 M918 R919 S956 D959	T917-R921 WeakPolarHBondContact O-CB 3.46Å; T917-R921 PolarHBondContact O-N 2.72Å; M918-R921 PolarHBondContact O-N 2.95Å; M918-R921 VanDerWaalsContact O-N 3.16Å; R919-R921 VanDerWaalsContact C-N 3.33Å; R919-R921 PolarHBondContact O-N 2.78Å; R921-S956 PolarHBondContact NH1-O 3.31Å; R921-S956 PolarHBondContact NH2-O 3.35Å; R921-D959 IonicContact CZ-OD1 2.82Å; R921-D959 IonicContact CZ-OD2 2.7Å; R921-D959 IonicContact NE-OD1 3.76Å; R921-D959 IonicContact NE-OD2 2.78Å; R921-D959 PolarHBondContact NE-OD2 3.23Å; R921-D959 VanDerWaalsContact NH2-CG 3.31Å; R921-D959 IonicContact NH2-OD1 3.86Å; R921-D959 PolarHBondContact NH2-OD1 2.7Å; R921-D959 IonicContact NH2-OD2 3.99Å; R921-D959 PolarHBondContact NH2-OD2 3.06Å
922	L	90.4	Very high	91.1	Very high	37 Å²	37	70.7 Å²	70.7	19%	0.194	37%	0.369	C	S	.	.	H	α-helix	trans	-95.9	-41.3	-166.6	-64.3	167.9	0	0	0	113.7	V836 M918 R919 W961	V836-L922 HydrophobicContact CG1-CB 3.94Å; V836-L922 HydrophobicContact CG1-CD1 4.26Å; V836-L922 HydrophobicContact CG1-CG 4.48Å; V836-L922 HydrophobicContact CG2-CB 4.4Å; M918-L922 HydrophobicContact CB-CD1 4.26Å; M918-L922 HydrophobicContact CE-CD1 4.28Å; M918-L922 VanDerWaalsContact O-CB 3.29Å; M918-L922 WeakPolarHBondContact O-CB 3.33Å; M918-L922 VanDerWaalsContact O-CG 3.27Å; M918-L922 WeakPolarHBondContact O-CG 3.44Å; M918-L922 PolarHBondContact O-N 3.24Å; R919-L922 PolarHBondContact O-N 2.91Å; L922-W961 HydrophobicContact CD1-CZ2 3.88Å; L922-W961 HydrophobicContact CD2-CZ2 4.31Å
923	I	89.4	Confident	91	Very high	44 Å²	44	67.7 Å²	67.7	23%	0.226	36%	0.357	C	S	.	.			trans	-138.5	75.7	176	-51.2	-176	0	0	0	108.9	V836 R919 G925 S926	V836-I923 HydrophobicContact CB-CD1 4.33Å; V836-I923 HydrophobicContact CG1-CD1 4.48Å; V836-I923 HydrophobicContact CG1-CG1 4.43Å; V836-I923 HydrophobicContact CG2-CD1 3.74Å; V836-I923 HydrophobicContact CG2-CG1 4.04Å; R919-I923 CarbonylContact O-C 3.51Å; R919-I923 WeakPolarHBondContact O-CA 3.49Å; R919-I923 PolarHBondContact O-N 2.96Å; R919-I923 VanDerWaalsContact O-O 3.07Å; I923-G925 PolarHBondContact O-N 3.16Å; I923-G925 VanDerWaalsContact O-N 3.11Å; I923-S926 VanDerWaalsContact O-CB 3.25Å; I923-S926 WeakPolarHBondContact O-CB 3.37Å; I923-S926 PolarHBondContact O-N 2.76Å
924	P	85.5	Confident	91.1	Very high	107 Å²	107	64.5 Å²	64.5	70%	0.695	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.5	-177.6	20.2	-31.9	0	0	0	114.5
925	G	82.2	Confident	91.1	Very high	67 Å²	67	67.7 Å²	67.7	69%	0.691	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	4.9	175.2	0	0	0	0	0	115.7	I923 N927	I923-G925 PolarHBondContact O-N 3.16Å; I923-G925 VanDerWaalsContact O-N 3.11Å; G925-N927 PolarHBondContact O-N 2.73Å
926	S	86.8	Confident	91	Very high	31 Å²	31	70.7 Å²	70.7	22%	0.217	37%	0.368	C	S	.	.			trans	-76.5	108.6	-176.1	154.6	0	0	0	0	112.7	R919 I923 R928	R919-S926 PolarHBondContact NE-OG 3.23Å; R919-S926 PolarHBondContact NH2-OG 2.84Å; I923-S926 VanDerWaalsContact O-CB 3.25Å; I923-S926 WeakPolarHBondContact O-CB 3.37Å; I923-S926 PolarHBondContact O-N 2.76Å; S926-R928 PolarHBondContact O-N 3.07Å; S926-R928 VanDerWaalsContact O-N 3.1Å; S926-R928 PolarHBondContact OG-N 3.4Å
927	N	86.3	Confident	90.9	Very high	168 Å²	168	65.1 Å²	65.1	90%	0.898	34%	0.344	S	S	*	.			trans	-66.1	-6.3	170.7	-68	-20.1	0	0	0	114.6	G925 S929	G925-N927 PolarHBondContact O-N 2.73Å; N927-S929 PolarHBondContact O-N 2.77Å
928	R	87.7	Confident	90.9	Very high	123 Å²	123	65 Å²	65	46%	0.464	34%	0.343	S	S	.	.	S	Bend	trans	-68.1	120.9	177.6	-66.3	179.3	168.4	-168.2	-7.7	111.3	D835 S926 A930 L933	D835-R928 WeakPolarHBondContact OD2-CD 3.46Å; D835-R928 IonicContact OD2-CZ 2.73Å; D835-R928 IonicContact OD2-NE 3.57Å; D835-R928 IonicContact OD2-NH1 3.53Å; D835-R928 PolarHBondContact OD2-NH1 3.32Å; S926-R928 PolarHBondContact O-N 3.07Å; S926-R928 VanDerWaalsContact O-N 3.1Å; S926-R928 PolarHBondContact OG-N 3.4Å; R928-A930 PolarHBondContact O-N 3.17Å; R928-L933 HydrophobicContact CB-CD1 3.97Å
929	S	90.8	Very high	90.8	Very high	56 Å²	56	69.7 Å²	69.7	39%	0.392	36%	0.361	S	S	.	.			trans	-66.3	114.1	-178.4	-178.6	0	0	0	0	112.7	N927 R931 K932 L933	N927-S929 PolarHBondContact O-N 2.77Å; S929-R931 PolarHBondContact O-N 3.32Å; S929-R931 PolarHBondContact OG-N 3.33Å; S929-K932 PolarHBondContact O-N 3.24Å; S929-L933 PolarHBondContact O-N 2.92Å
930	A	92.9	Very high	90.6	Very high	18 Å²	18	70.3 Å²	70.3	15%	0.149	37%	0.365	C	S	.	.	H	α-helix	trans	-52	-27.6	172.8	0	0	0	0	0	113.6	V915 K916 R928 Y934	V915-A930 HydrophobicContact CG1-CB 3.89Å; K916-A930 HydrophobicContact CB-CB 3.94Å; K916-A930 HydrophobicContact CG-CB 4.42Å; R928-A930 PolarHBondContact O-N 3.17Å; A930-Y934 WeakPolarHBondContact O-CB 3.33Å; A930-Y934 PolarHBondContact O-N 3.39Å; A930-Y934 VanDerWaalsContact O-N 3.12Å
931	R	92.1	Very high	90.5	Very high	136 Å²	136	70.1 Å²	70.1	51%	0.513	36%	0.356	S	S	.	.	H	α-helix	trans	-67.4	-56.8	172.3	178.3	178.5	-174.1	-175.4	-4.8	111.6	K912 S929 L933 Y934 E935	K912-R931 HydrophobicContact CD-CG 4.45Å; S929-R931 PolarHBondContact O-N 3.32Å; S929-R931 PolarHBondContact OG-N 3.33Å; R931-L933 PolarHBondContact O-N 3.19Å; R931-Y934 PolarHBondContact O-N 3.2Å; R931-E935 WeakPolarHBondContact CG-OE2 3.29Å; R931-E935 IonicContact CZ-OE1 2.73Å; R931-E935 VanDerWaalsContact CZ-OE1 3.26Å; R931-E935 IonicContact CZ-OE2 3.19Å; R931-E935 VanDerWaalsContact NE-CD 3.35Å; R931-E935 IonicContact NE-OE1 3.51Å; R931-E935 PolarHBondContact NE-OE1 2.95Å; R931-E935 IonicContact NE-OE2 2.66Å; R931-E935 PolarHBondContact NE-OE2 3.19Å; R931-E935 IonicContact NH2-OE1 3.43Å; R931-E935 PolarHBondContact NH2-OE1 2.68Å; R931-E935 IonicContact NH2-OE2 2.76Å; R931-E935 WeakPolarHBondContact O-CG 3.45Å; R931-E935 PolarHBondContact O-N 3.14Å
932	K	92.1	Very high	90.4	Very high	91 Å²	91	74.2 Å²	74.2	40%	0.396	38%	0.377	S	S	.	.	H	α-helix	trans	-56.9	-42.7	-178.7	-66.9	-174	-179.5	-178.1	0	109.6	S929 E935 Q936 D1021	S929-K932 PolarHBondContact O-N 3.24Å; K932-E935 PolarHBondContact O-N 3.09Å; K932-Q936 VanDerWaalsContact O-CB 3.23Å; K932-Q936 WeakPolarHBondContact O-CB 3.32Å; K932-Q936 PolarHBondContact O-N 3.14Å; K932-D1021 IonicContact NZ-OD1 2.88Å; K932-D1021 PolarHBondContact NZ-OD1 3.2Å; K932-D1021 IonicContact NZ-OD2 3.08Å; K932-D1021 PolarHBondContact NZ-OD2 3.42Å
933	L	92.9	Very high	90.1	Very high	20 Å²	20	75.9 Å²	75.9	11%	0.105	39%	0.389	C	S	.	.	H	α-helix	trans	-63.9	-41.9	177.6	-68.9	171.8	0	0	0	114.3	P832 R919 R928 S929 R931 A937	P832-L933 HydrophobicContact CB-CB 3.94Å; R919-L933 VanDerWaalsContact CD-CD1 3.46Å; R928-L933 HydrophobicContact CB-CD1 3.97Å; S929-L933 PolarHBondContact O-N 2.92Å; R931-L933 PolarHBondContact O-N 3.19Å; L933-A937 WeakPolarHBondContact O-CB 3.32Å; L933-A937 PolarHBondContact O-N 3.38Å
934	Y	94.9	Very high	90.1	Very high	64 Å²	64	74.4 Å²	74.4	25%	0.251	38%	0.382	S	S	.	.	H	α-helix	trans	-66	-45.5	175	177.4	-89.7	0	0	0	111.6	P909 S911 K912 V915 A930 R931 Q936 A937 V938	P909-Y934 HydrophobicContact CB-CD2 3.81Å; P909-Y934 HydrophobicContact CB-CE2 4.02Å; P909-Y934 HydrophobicContact CG-CD2 3.63Å; P909-Y934 HydrophobicContact CG-CE2 3.8Å; S911-Y934 VanDerWaalsContact C-CE2 3.48Å; K912-Y934 HydrophobicContact CB-CD1 3.96Å; K912-Y934 HydrophobicContact CB-CD2 4.23Å; K912-Y934 HydrophobicContact CB-CE1 4.36Å; K912-Y934 HydrophobicContact CB-CG 3.9Å; V915-Y934 HydrophobicContact CG2-CD2 4.13Å; A930-Y934 WeakPolarHBondContact O-CB 3.33Å; A930-Y934 PolarHBondContact O-N 3.39Å; A930-Y934 VanDerWaalsContact O-N 3.12Å; R931-Y934 PolarHBondContact O-N 3.2Å; Y934-Q936 VanDerWaalsContact C-N 3.31Å; Y934-Q936 PolarHBondContact O-N 3.33Å; Y934-A937 PolarHBondContact O-N 3.28Å; Y934-V938 HydrophobicContact CD1-CG2 4.28Å; Y934-V938 HydrophobicContact CE1-CG2 3.8Å; Y934-V938 HydrophobicContact CE2-CG2 4.34Å; Y934-V938 WeakPolarHBondContact O-CG2 3.26Å; Y934-V938 PolarHBondContact O-N 3.08Å
935	E	94.5	Very high	90.2	Very high	68 Å²	68	72.4 Å²	72.4	32%	0.318	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-36.2	179.3	-70.5	168.1	172.5	0	0	111.1	R931 K932 R939	R931-E935 WeakPolarHBondContact CG-OE2 3.29Å; R931-E935 IonicContact CZ-OE1 2.73Å; R931-E935 VanDerWaalsContact CZ-OE1 3.26Å; R931-E935 IonicContact CZ-OE2 3.19Å; R931-E935 VanDerWaalsContact NE-CD 3.35Å; R931-E935 IonicContact NE-OE1 3.51Å; R931-E935 PolarHBondContact NE-OE1 2.95Å; R931-E935 IonicContact NE-OE2 2.66Å; R931-E935 PolarHBondContact NE-OE2 3.19Å; R931-E935 IonicContact NH2-OE1 3.43Å; R931-E935 PolarHBondContact NH2-OE1 2.68Å; R931-E935 IonicContact NH2-OE2 2.76Å; R931-E935 WeakPolarHBondContact O-CG 3.45Å; R931-E935 PolarHBondContact O-N 3.14Å; K932-E935 PolarHBondContact O-N 3.09Å; E935-R939 VanDerWaalsContact O-CG 3.29Å; E935-R939 WeakPolarHBondContact O-CG 3.22Å; E935-R939 PolarHBondContact O-N 3.27Å; E935-R939 VanDerWaalsContact O-N 3.1Å
936	Q	92	Very high	90.6	Very high	64 Å²	64	72 Å²	72	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-47.7	170.7	-178.8	-175.5	-2.4	0	0	112.6	K932 Y934 V938 R939 L940 S1013	K932-Q936 VanDerWaalsContact O-CB 3.23Å; K932-Q936 WeakPolarHBondContact O-CB 3.32Å; K932-Q936 PolarHBondContact O-N 3.14Å; Y934-Q936 VanDerWaalsContact C-N 3.31Å; Y934-Q936 PolarHBondContact O-N 3.33Å; Q936-V938 VanDerWaalsContact C-N 3.34Å; Q936-V938 PolarHBondContact O-N 3.14Å; Q936-R939 PolarHBondContact O-N 2.89Å; Q936-L940 HydrophobicContact CG-CD1 4.16Å; Q936-L940 WeakPolarHBondContact O-CG 3.33Å; Q936-L940 PolarHBondContact O-N 3.02Å; Q936-S1013 PolarHBondContact NE2-OG 2.8Å
937	A	93.4	Very high	90.8	Very high	1 Å²	1	71 Å²	71	1%	0.008	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-41.4	179.6	0	0	0	0	0	112.1	F906 P909 L933 Y934 L940 K941	F906-A937 HydrophobicContact CE2-CB 4.39Å; F906-A937 HydrophobicContact CZ-CB 4.28Å; F906-A937 WeakPolarHBondContact CZ-O 3.34Å; P909-A937 HydrophobicContact CG-CB 4.06Å; L933-A937 WeakPolarHBondContact O-CB 3.32Å; L933-A937 PolarHBondContact O-N 3.38Å; Y934-A937 PolarHBondContact O-N 3.28Å; A937-L940 PolarHBondContact O-N 3.01Å; A937-K941 PolarHBondContact O-N 3.49Å
938	V	93.8	Very high	91.2	Very high	72 Å²	72	64.5 Å²	64.5	44%	0.436	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-39.9	174.9	173.3	0	0	0	0	111.7	Y934 Q936 K942	Y934-V938 HydrophobicContact CD1-CG2 4.28Å; Y934-V938 HydrophobicContact CE1-CG2 3.8Å; Y934-V938 HydrophobicContact CE2-CG2 4.34Å; Y934-V938 WeakPolarHBondContact O-CG2 3.26Å; Y934-V938 PolarHBondContact O-N 3.08Å; Q936-V938 VanDerWaalsContact C-N 3.34Å; Q936-V938 PolarHBondContact O-N 3.14Å; V938-K942 PolarHBondContact O-N 2.86Å; V938-K942 VanDerWaalsContact O-N 3.16Å
939	R	90.9	Very high	91.5	Very high	100 Å²	100	60.6 Å²	60.6	38%	0.377	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-49.7	174	-75.4	173.7	178.1	-169.7	1.8	111.4	E799 E935 Q936 K941 K942 T943	E799-R939 IonicContact OE1-CZ 3.02Å; E799-R939 IonicContact OE1-NH2 3.55Å; E799-R939 PolarHBondContact OE1-NH2 3.08Å; E935-R939 VanDerWaalsContact O-CG 3.29Å; E935-R939 WeakPolarHBondContact O-CG 3.22Å; E935-R939 PolarHBondContact O-N 3.27Å; E935-R939 VanDerWaalsContact O-N 3.1Å; Q936-R939 PolarHBondContact O-N 2.89Å; R939-K941 VanDerWaalsContact C-N 3.34Å; R939-K941 PolarHBondContact O-N 2.77Å; R939-K942 WeakPolarHBondContact O-CB 3.38Å; R939-K942 PolarHBondContact O-N 3.09Å; R939-T943 PolarHBondContact O-N 3.22Å; R939-T943 PolarHBondContact O-OG1 2.76Å; R939-T943 VanDerWaalsContact O-OG1 3.1Å
940	L	90.1	Very high	91.7	Very high	24 Å²	24	58.6 Å²	58.6	13%	0.126	28%	0.284	C	S	.	.	H	α-helix	trans	-56.3	-44.7	176.4	-74.2	171.3	0	0	0	112.1	F830 P889 F906 Q936 A937 K942 T943 C944	F830-L940 HydrophobicContact CD1-CD1 4.22Å; P889-L940 HydrophobicContact CG-CD2 3.59Å; F906-L940 HydrophobicContact CE2-CB 4.36Å; Q936-L940 HydrophobicContact CG-CD1 4.16Å; Q936-L940 WeakPolarHBondContact O-CG 3.33Å; Q936-L940 PolarHBondContact O-N 3.02Å; A937-L940 PolarHBondContact O-N 3.01Å; L940-K942 VanDerWaalsContact C-N 3.26Å; L940-K942 PolarHBondContact O-N 3.25Å; L940-T943 PolarHBondContact O-N 3.46Å; L940-C944 WeakPolarHBondContact O-CA 3.5Å; L940-C944 WeakPolarHBondContact O-CB 3.47Å; L940-C944 PolarHBondContact O-N 2.78Å
941	K	90.6	Very high	91.8	Very high	84 Å²	84	61.2 Å²	61.2	37%	0.365	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-32.9	176.4	-159.7	-176.3	-165.2	177.1	0	112.8	F906 N908 A937 R939 S945 F948	F906-K941 HydrophobicContact CD1-CG 4.38Å; F906-K941 HydrophobicContact CE1-CB 3.88Å; F906-K941 HydrophobicContact CE1-CD 3.79Å; F906-K941 HydrophobicContact CE1-CG 3.76Å; F906-K941 HydrophobicContact CZ-CB 3.77Å; F906-K941 HydrophobicContact CZ-CD 4.42Å; F906-K941 HydrophobicContact CZ-CG 4.2Å; N908-K941 PolarHBondContact ND2-NZ 2.74Å; N908-K941 WeakPolarHBondContact OD1-CD 3.32Å; N908-K941 PolarHBondContact OD1-NZ 2.73Å; A937-K941 PolarHBondContact O-N 3.49Å; R939-K941 VanDerWaalsContact C-N 3.34Å; R939-K941 PolarHBondContact O-N 2.77Å; K941-S945 WeakPolarHBondContact O-CB 2.96Å; K941-F948 HydrophobicContact CG-CE2 4.46Å
942	K	88.3	Confident	92	Very high	183 Å²	183	55.4 Å²	55.4	80%	0.796	28%	0.277	S	S	*	.	H	α-helix	trans	-77.6	-37.3	178.4	-169.3	-174.1	176	-167.2	0	112.8	V938 R939 L940	V938-K942 PolarHBondContact O-N 2.86Å; V938-K942 VanDerWaalsContact O-N 3.16Å; R939-K942 WeakPolarHBondContact O-CB 3.38Å; R939-K942 PolarHBondContact O-N 3.09Å; L940-K942 VanDerWaalsContact C-N 3.26Å; L940-K942 PolarHBondContact O-N 3.25Å
943	T	85.2	Confident	92.2	Very high	72 Å²	72	56.6 Å²	56.6	44%	0.442	29%	0.287	S	S	.	.	H	α-helix	trans	-102.2	-26.4	-170.4	58.2	0	0	0	0	114.8	R939 L940 H946	R939-T943 PolarHBondContact O-N 3.22Å; R939-T943 PolarHBondContact O-OG1 2.76Å; R939-T943 VanDerWaalsContact O-OG1 3.1Å; L940-T943 PolarHBondContact O-N 3.46Å; T943-H946 PolarHBondContact O-CE1 3.38Å
944	C	88.3	Confident	92.2	Very high	14 Å²	14	55.9 Å²	55.9	10%	0.095	28%	0.284	C	S	.	.	S	Bend	trans	-126.5	14.4	-166.5	-60.3	0	0	0	0	113.5	P889 L940 H946 L947 F948	P889-C944 HydrophobicContact CB-CB 4.37Å; L940-C944 WeakPolarHBondContact O-CA 3.5Å; L940-C944 WeakPolarHBondContact O-CB 3.47Å; L940-C944 PolarHBondContact O-N 2.78Å; C944-H946 PolarHBondContact O-N 2.96Å; C944-L947 HydrophobicContact CB-CD1 4.21Å; C944-L947 WeakPolarHBondContact O-CB 3.4Å; C944-L947 PolarHBondContact O-N 3.33Å; C944-F948 HydrophobicContact CB-CE1 4.4Å; C944-F948 WeakPolarHBondContact O-CE1 3.48Å
945	S	89.2	Confident	92.1	Very high	65 Å²	65	57 Å²	57	46%	0.455	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-53	-35.1	178	47.8	0	0	0	0	113.8	K941 L947 F948	K941-S945 WeakPolarHBondContact O-CB 2.96Å; S945-L947 PolarHBondContact O-N 3.28Å; S945-L947 VanDerWaalsContact O-N 3.11Å; S945-F948 PolarHBondContact O-N 3.35Å
946	H	89.5	Confident	91.9	Very high	59 Å²	59	54.5 Å²	54.5	27%	0.273	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-62.5	-11.3	176.2	59.2	-88.4	0	0	0	114.8	R716 T943 C944	R716-H946 HydrophobicContact CB-CB 3.85Å; R716-H946 WeakPolarHBondContact O-CB 3.14Å; T943-H946 PolarHBondContact O-CE1 3.38Å; C944-H946 PolarHBondContact O-N 2.96Å
947	L	91.8	Very high	91.6	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.052	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-95.2	-11.2	175.2	-53.5	-178.6	0	0	0	112.9	P889 V892 D893 V904 C944 S945	P889-L947 HydrophobicContact CB-CD1 3.8Å; V892-L947 HydrophobicContact CB-CD1 4.35Å; V892-L947 HydrophobicContact CG1-CB 4.23Å; V892-L947 HydrophobicContact CG1-CD1 4.34Å; D893-L947 VanDerWaalsContact OD1-CD2 3.26Å; D893-L947 WeakPolarHBondContact OD1-CD2 3.41Å; V904-L947 WeakPolarHBondContact CB-O 3.5Å; V904-L947 WeakPolarHBondContact CG1-O 3.44Å; V904-L947 WeakPolarHBondContact CG2-O 3.5Å; C944-L947 HydrophobicContact CB-CD1 4.21Å; C944-L947 WeakPolarHBondContact O-CB 3.4Å; C944-L947 PolarHBondContact O-N 3.33Å; S945-L947 PolarHBondContact O-N 3.28Å; S945-L947 VanDerWaalsContact O-N 3.11Å
948	F	94.2	Very high	91.3	Very high	31 Å²	31	60.7 Å²	60.7	14%	0.136	33%	0.327	C	S	.	.			trans	-85.2	122.4	-172.2	-55.6	-16.1	0	0	0	110.9	F830 V904 F906 K941 C944 S945	F830-F948 HydrophobicContact CD2-CD1 4.33Å; F830-F948 AromaticContact CD2-CE1 3.9Å; F830-F948 HydrophobicContact CD2-CE1 3.9Å; V904-F948 HydrophobicContact CG1-CD1 3.99Å; F906-F948 HydrophobicContact CB-CB 4.39Å; F906-F948 HydrophobicContact CB-CD1 4.06Å; F906-F948 HydrophobicContact CB-CD2 3.4Å; F906-F948 HydrophobicContact CB-CE1 4.17Å; F906-F948 HydrophobicContact CB-CE2 3.52Å; F906-F948 HydrophobicContact CB-CG 3.7Å; F906-F948 HydrophobicContact CB-CZ 3.92Å; F906-F948 HydrophobicContact CD1-CD2 4.1Å; F906-F948 AromaticContact CD1-CE2 3.67Å; F906-F948 HydrophobicContact CD1-CE2 3.67Å; F906-F948 HydrophobicContact CD1-CZ 4.4Å; F906-F948 HydrophobicContact CD2-CD2 4.36Å; F906-F948 HydrophobicContact CD2-CE1 4.13Å; F906-F948 AromaticContact CD2-CE2 3.57Å; F906-F948 HydrophobicContact CD2-CE2 3.57Å; F906-F948 AromaticContact CD2-CZ 3.44Å; F906-F948 HydrophobicContact CD2-CZ 3.44Å; F906-F948 VanDerWaalsContact CD2-CZ 3.44Å; F906-F948 HydrophobicContact CE1-CE2 4.3Å; F906-F948 HydrophobicContact CE2-CE2 4.22Å; F906-F948 HydrophobicContact CE2-CZ 4.07Å; F906-F948 AromaticContact CG-CD2 3.7Å; F906-F948 HydrophobicContact CG-CD2 3.7Å; F906-F948 HydrophobicContact CG-CE1 4.34Å; F906-F948 AromaticContact CG-CE2 3.27Å; F906-F948 HydrophobicContact CG-CE2 3.27Å; F906-F948 HydrophobicContact CG-CG 4.4Å; F906-F948 AromaticContact CG-CZ 3.65Å; F906-F948 HydrophobicContact CG-CZ 3.65Å; K941-F948 HydrophobicContact CG-CE2 4.46Å; C944-F948 HydrophobicContact CB-CE1 4.4Å; C944-F948 WeakPolarHBondContact O-CE1 3.48Å; S945-F948 PolarHBondContact O-N 3.35Å
949	T	94.3	Very high	91	Very high	41 Å²	41	59.8 Å²	59.8	25%	0.252	32%	0.32	S	S	.	.	S	Bend	trans	-84.2	-24.6	173.1	64.8	0	0	0	0	111.9	V904 Q972	V904-T949 HydrophobicContact CB-CG2 4.42Å; V904-T949 PolarHBondContact N-OG1 2.96Å; V904-T949 PolarHBondContact O-N 2.86Å; V904-T949 PolarHBondContact O-OG1 3.1Å; V904-T949 VanDerWaalsContact O-OG1 3.11Å; T949-Q972 PolarHBondContact O-NE2 2.69Å
950	A	94.8	Very high	91.1	Very high	14 Å²	14	57.5 Å²	57.5	12%	0.116	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.6	174.2	0	0	0	0	0	111.3	V904 F906 Q972	V904-A950 PolarHBondContact O-N 2.87Å; V904-A950 VanDerWaalsContact O-N 3.11Å; F906-A950 PolarHBondContact N-O 2.99Å; A950-Q972 HydrophobicContact CB-CG 4.36Å
951	T	95.9	Very high	91.2	Very high	73 Å²	73	56.7 Å²	56.7	45%	0.448	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.4	169.2	-70.1	0	0	0	0	109.4	F906 N908	F906-T951 HydrophobicContact CD1-CG2 4.06Å; F906-T951 CarbonylContact O-C 3.42Å; F906-T951 WeakPolarHBondContact O-CA 3.28Å; N908-T951 HydrophobicContact CB-CG2 4.03Å
952	I	96.1	Very high	91.4	Very high	13 Å²	13	53.9 Å²	53.9	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.5	178.9	-57.9	172.4	0	0	0	108	V905 F906 L907 N908 V965	V905-I952 HydrophobicContact CG1-CD1 3.58Å; V905-I952 HydrophobicContact CG1-CG1 4.13Å; F906-I952 PolarHBondContact O-N 3.43Å; L907-I952 HydrophobicContact CD2-CB 4.07Å; L907-I952 HydrophobicContact CD2-CD1 4.13Å; N908-I952 PolarHBondContact N-O 3.04Å; I952-V965 HydrophobicContact CD1-CB 4.25Å; I952-V965 HydrophobicContact CD1-CG2 3.63Å
953	D	95	Very high	91.8	Very high	116 Å²	116	46.6 Å²	46.6	62%	0.62	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	121	175.1	-69.8	-38.2	0	0	0	110.9	N908	N908-D953 WeakPolarHBondContact CB-OD1 3.26Å; N908-D953 PolarHBondContact ND2-OD1 2.85Å
954	L	93.6	Very high	92.3	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	123	178.7	-63.7	180	0	0	0	110.7	P832 I833 L907 N908 D910 M918 W961	P832-L954 HydrophobicContact CG-CD1 4.03Å; I833-L954 HydrophobicContact CD1-CD1 3.91Å; I833-L954 HydrophobicContact CD1-CD2 3.77Å; I833-L954 HydrophobicContact CG1-CD1 3.99Å; L907-L954 HydrophobicContact CB-CD1 3.96Å; L907-L954 HydrophobicContact CB-CD2 4.07Å; L907-L954 HydrophobicContact CB-CG 4.05Å; L907-L954 HydrophobicContact CD2-CD2 4.45Å; N908-L954 WeakPolarHBondContact O-CB 3.47Å; N908-L954 PolarHBondContact O-N 2.82Å; D910-L954 VanDerWaalsContact CB-O 3.31Å; D910-L954 WeakPolarHBondContact CB-O 3.39Å; D910-L954 PolarHBondContact N-O 2.69Å; M918-L954 HydrophobicContact CE-CD2 4.48Å; M918-L954 HydrophobicContact SD-CB 4.21Å; M918-L954 HydrophobicContact SD-CD1 4.36Å; L954-W961 HydrophobicContact CD2-CB 3.71Å; L954-W961 HydrophobicContact CD2-CG 4.03Å
955	N	92.7	Very high	92.7	Very high	86 Å²	86	44.9 Å²	44.9	46%	0.46	27%	0.273	S	S	.	.			trans	-96.4	113.1	167.6	-178.4	-26.6	0	0	0	109.4	S957 N958	N955-S957 PolarHBondContact O-N 3.27Å; N955-S957 VanDerWaalsContact O-N 3.08Å; N955-S957 WeakPolarHBondContact OD1-CB 3.35Å; N955-S957 PolarHBondContact OD1-N 3.07Å; N955-N958 PolarHBondContact O-N 2.82Å; N955-N958 VanDerWaalsContact O-N 3.13Å
956	S	89.5	Confident	93	Very high	16 Å²	16	44.1 Å²	44.1	11%	0.112	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.1	-176.6	54.5	0	0	0	0	115.4	D910 G914 R921	D910-S956 WeakPolarHBondContact OD2-CB 3.43Å; D910-S956 PolarHBondContact OD2-N 3.43Å; D910-S956 PolarHBondContact OD2-OG 2.92Å; G914-S956 WeakPolarHBondContact CA-OG 3.36Å; G914-S956 WeakPolarHBondContact O-CB 3.07Å; R921-S956 PolarHBondContact NH1-O 3.31Å; R921-S956 PolarHBondContact NH2-O 3.35Å
957	S	85.8	Confident	93.3	Very high	107 Å²	107	46.2 Å²	46.2	75%	0.748	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.7	178.2	-58	0	0	0	0	114.6	N955	N955-S957 PolarHBondContact O-N 3.27Å; N955-S957 VanDerWaalsContact O-N 3.08Å; N955-S957 WeakPolarHBondContact OD1-CB 3.35Å; N955-S957 PolarHBondContact OD1-N 3.07Å
958	N	88.1	Confident	93.6	Very high	88 Å²	88	46.7 Å²	46.7	47%	0.471	28%	0.279	S	S	.	.			trans	-143.4	134.2	-172.6	-174.3	0.2	0	0	0	112.2	N955 A960	N955-N958 PolarHBondContact O-N 2.82Å; N955-N958 VanDerWaalsContact O-N 3.13Å; N958-A960 VanDerWaalsContact C-N 3.28Å; N958-A960 PolarHBondContact O-N 2.83Å; N958-A960 PolarHBondContact OD1-N 3.43Å; N958-A960 VanDerWaalsContact OD1-N 3.09Å
959	D	87.8	Confident	93.7	Very high	53 Å²	53	45.2 Å²	45.2	28%	0.283	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	13.4	179.5	-67.9	-46.1	0	0	0	114.8	R921 W961 Y962	R921-D959 IonicContact CZ-OD1 2.82Å; R921-D959 IonicContact CZ-OD2 2.7Å; R921-D959 IonicContact NE-OD1 3.76Å; R921-D959 IonicContact NE-OD2 2.78Å; R921-D959 PolarHBondContact NE-OD2 3.23Å; R921-D959 VanDerWaalsContact NH2-CG 3.31Å; R921-D959 IonicContact NH2-OD1 3.86Å; R921-D959 PolarHBondContact NH2-OD1 2.7Å; R921-D959 IonicContact NH2-OD2 3.99Å; R921-D959 PolarHBondContact NH2-OD2 3.06Å; D959-W961 PolarHBondContact O-N 3.07Å; D959-W961 PolarHBondContact OD1-NE1 2.94Å; D959-Y962 PolarHBondContact O-N 3.14Å; D959-Y962 VanDerWaalsContact O-N 3.14Å
960	A	91.6	Very high	93.7	Very high	52 Å²	52	48.1 Å²	48.1	43%	0.43	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-21.6	172.2	0	0	0	0	0	114.7	N958 Y962 G963 S964	N958-A960 VanDerWaalsContact C-N 3.28Å; N958-A960 PolarHBondContact O-N 2.83Å; N958-A960 PolarHBondContact OD1-N 3.43Å; N958-A960 VanDerWaalsContact OD1-N 3.09Å; A960-Y962 PolarHBondContact O-N 3.16Å; A960-Y962 VanDerWaalsContact O-N 3.08Å; A960-G963 PolarHBondContact O-N 3.25Å; A960-S964 PolarHBondContact O-N 3.37Å
961	W	93.8	Very high	93.8	Very high	7 Å²	7	52 Å²	52	3%	0.027	30%	0.295	C	S	.	.	H	α-helix	trans	-50.9	-32	173.2	61.1	-98.1	0	0	0	112.8	I833 V836 V837 K840 M918 L922 L954 D959 S964 V965	I833-W961 HydrophobicContact CD1-CD2 3.96Å; I833-W961 HydrophobicContact CD1-CE3 4.19Å; I833-W961 HydrophobicContact CD1-CG 4.45Å; I833-W961 HydrophobicContact CD1-CH2 4.46Å; I833-W961 HydrophobicContact CD1-CZ2 4.22Å; I833-W961 HydrophobicContact CD1-CZ3 4.45Å; V836-W961 HydrophobicContact CG1-CH2 4.47Å; V837-W961 HydrophobicContact CB-CZ3 4.17Å; V837-W961 HydrophobicContact CG1-CZ3 4.12Å; V837-W961 HydrophobicContact CG2-CE3 4.01Å; V837-W961 HydrophobicContact CG2-CH2 4Å; V837-W961 HydrophobicContact CG2-CZ3 3.37Å; K840-W961 HydrophobicContact CD-CH2 4.28Å; M918-W961 HydrophobicContact CE-CG 4.27Å; M918-W961 VanDerWaalsContact CE-NE1 3.3Å; L922-W961 HydrophobicContact CD1-CZ2 3.88Å; L922-W961 HydrophobicContact CD2-CZ2 4.31Å; L954-W961 HydrophobicContact CD2-CB 3.71Å; L954-W961 HydrophobicContact CD2-CG 4.03Å; D959-W961 PolarHBondContact O-N 3.07Å; D959-W961 PolarHBondContact OD1-NE1 2.94Å; W961-S964 PolarHBondContact O-N 2.94Å; W961-V965 HydrophobicContact CE3-CG2 4.38Å; W961-V965 VanDerWaalsContact O-CG2 3.32Å; W961-V965 WeakPolarHBondContact O-CG2 3.41Å; W961-V965 PolarHBondContact O-N 3.19Å
962	Y	95.1	Very high	93.7	Very high	26 Å²	26	49.3 Å²	49.3	10%	0.102	28%	0.277	C	S	.	.	H	α-helix	trans	-72.9	-28.1	-178.9	-178	-119.7	0	0	0	113.3	K840 L841 D844 D959 A960 K966	K840-Y962 HydrophobicContact CB-CD2 4.5Å; K840-Y962 HydrophobicContact CB-CE2 3.98Å; K840-Y962 HydrophobicContact CD-CD2 4.42Å; K840-Y962 HydrophobicContact CD-CE2 4.47Å; L841-Y962 HydrophobicContact CD2-CE2 3.87Å; L841-Y962 HydrophobicContact CG-CE2 4.28Å; D844-Y962 VanDerWaalsContact CB-OH 3.28Å; D844-Y962 WeakPolarHBondContact CB-OH 3.39Å; D844-Y962 WeakPolarHBondContact OD2-CE1 3.34Å; D844-Y962 PolarHBondContact OD2-OH 3.49Å; D959-Y962 PolarHBondContact O-N 3.14Å; D959-Y962 VanDerWaalsContact O-N 3.14Å; A960-Y962 PolarHBondContact O-N 3.16Å; A960-Y962 VanDerWaalsContact O-N 3.08Å; Y962-K966 HydrophobicContact CE1-CD 4.27Å; Y962-K966 HydrophobicContact CE2-CD 4.25Å; Y962-K966 HydrophobicContact CE2-CG 4.45Å; Y962-K966 WeakPolarHBondContact O-CE 3.32Å; Y962-K966 PolarHBondContact OH-NZ 3.21Å
963	G	95.1	Very high	93.7	Very high	29 Å²	29	50.2 Å²	50.2	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-67	-55.8	167.4	0	0	0	0	0	110	A960 V965 K966 D967	A960-G963 PolarHBondContact O-N 3.25Å; G963-V965 PolarHBondContact O-N 3.33Å; G963-V965 VanDerWaalsContact O-N 3.14Å; G963-K966 PolarHBondContact O-N 2.78Å; G963-D967 PolarHBondContact O-N 3.14Å
964	S	96.3	Very high	93.6	Very high	51 Å²	51	52.6 Å²	52.6	36%	0.357	29%	0.288	S	S	.	.	H	α-helix	trans	-54.8	-35	179.9	-52.8	0	0	0	0	113.8	A960 W961 S968	A960-S964 PolarHBondContact O-N 3.37Å; W961-S964 PolarHBondContact O-N 2.94Å; S964-S968 WeakPolarHBondContact O-CB 3.42Å; S964-S968 PolarHBondContact O-N 3.34Å; S964-S968 PolarHBondContact O-OG 3.27Å
965	V	96.6	Very high	93.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.7	-51.2	173.7	164	0	0	0	0	111.4	I829 V837 L841 L907 I952 W961 G963 S968 I969	I829-V965 HydrophobicContact CD1-CG1 4.36Å; V837-V965 HydrophobicContact CG1-CG1 3.81Å; V837-V965 HydrophobicContact CG1-CG2 4.24Å; L841-V965 HydrophobicContact CD1-CG1 4.05Å; L907-V965 HydrophobicContact CD2-CG2 3.77Å; I952-V965 HydrophobicContact CD1-CB 4.25Å; I952-V965 HydrophobicContact CD1-CG2 3.63Å; W961-V965 HydrophobicContact CE3-CG2 4.38Å; W961-V965 VanDerWaalsContact O-CG2 3.32Å; W961-V965 WeakPolarHBondContact O-CG2 3.41Å; W961-V965 PolarHBondContact O-N 3.19Å; G963-V965 PolarHBondContact O-N 3.33Å; G963-V965 VanDerWaalsContact O-N 3.14Å; V965-S968 PolarHBondContact O-N 2.9Å; V965-I969 HydrophobicContact CG1-CD1 3.7Å; V965-I969 VanDerWaalsContact O-CG1 3.29Å; V965-I969 WeakPolarHBondContact O-CG1 3.36Å; V965-I969 PolarHBondContact O-N 2.98Å
966	K	95.8	Very high	93.5	Very high	49 Å²	49	53.1 Å²	53.1	21%	0.213	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-42.7	-178.3	-71.2	-175.8	-70.8	-169.7	0	111.7	L841 L845 Y962 G963 I969 R970	L841-K966 HydrophobicContact CD2-CD 4.24Å; L841-K966 HydrophobicContact CD2-CG 3.72Å; L845-K966 HydrophobicContact CD1-CD 3.53Å; L845-K966 HydrophobicContact CD1-CG 4.38Å; Y962-K966 HydrophobicContact CE1-CD 4.27Å; Y962-K966 HydrophobicContact CE2-CD 4.25Å; Y962-K966 HydrophobicContact CE2-CG 4.45Å; Y962-K966 WeakPolarHBondContact O-CE 3.32Å; Y962-K966 PolarHBondContact OH-NZ 3.21Å; G963-K966 PolarHBondContact O-N 2.78Å; K966-I969 PolarHBondContact O-N 2.7Å; K966-R970 WeakPolarHBondContact O-CB 3.44Å; K966-R970 VanDerWaalsContact O-CG 3.31Å; K966-R970 WeakPolarHBondContact O-CG 3.36Å; K966-R970 PolarHBondContact O-N 3.43Å
967	D	96.1	Very high	93.6	Very high	102 Å²	102	53.3 Å²	53.3	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-42.6	178.1	-59.9	-28.2	0	0	0	110.6	G963 I969 R970 E971	G963-D967 PolarHBondContact O-N 3.14Å; D967-I969 PolarHBondContact O-N 2.81Å; D967-R970 PolarHBondContact O-N 3.02Å; D967-E971 VanDerWaalsContact O-CB 3.28Å; D967-E971 WeakPolarHBondContact O-CB 3.3Å; D967-E971 PolarHBondContact O-N 3.23Å
968	S	96.8	Very high	94	Very high	20 Å²	20	51 Å²	51	14%	0.14	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-42.4	174.9	-61.9	0	0	0	0	112.6	S964 V965 Q972	S964-S968 WeakPolarHBondContact O-CB 3.42Å; S964-S968 PolarHBondContact O-N 3.34Å; S964-S968 PolarHBondContact O-OG 3.27Å; V965-S968 PolarHBondContact O-N 2.9Å; S968-Q972 VanDerWaalsContact O-CB 3.26Å; S968-Q972 WeakPolarHBondContact O-CB 3.42Å; S968-Q972 WeakPolarHBondContact O-CG 3.27Å; S968-Q972 PolarHBondContact O-N 2.83Å
969	I	96.8	Very high	94.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-45.3	178.4	-68.3	162.1	0	0	0	110.3	V827 L841 F849 I903 V905 V965 K966 D967 Q972 Q973	V827-I969 HydrophobicContact CG1-CD1 3.85Å; V827-I969 HydrophobicContact CG1-CG1 4.14Å; V827-I969 HydrophobicContact CG2-CG2 3.94Å; L841-I969 HydrophobicContact CD1-CD1 3.9Å; F849-I969 HydrophobicContact CE1-CD1 3.99Å; F849-I969 HydrophobicContact CE1-CG2 3.96Å; F849-I969 HydrophobicContact CZ-CD1 4.14Å; F849-I969 HydrophobicContact CZ-CG2 3.98Å; I903-I969 HydrophobicContact CD1-CG2 4.24Å; I903-I969 HydrophobicContact CG2-CG1 4.46Å; V905-I969 HydrophobicContact CG2-CG1 4.1Å; V965-I969 HydrophobicContact CG1-CD1 3.7Å; V965-I969 VanDerWaalsContact O-CG1 3.29Å; V965-I969 WeakPolarHBondContact O-CG1 3.36Å; V965-I969 PolarHBondContact O-N 2.98Å; K966-I969 PolarHBondContact O-N 2.7Å; D967-I969 PolarHBondContact O-N 2.81Å; I969-Q972 PolarHBondContact O-N 3.35Å; I969-Q973 WeakPolarHBondContact O-CB 3.44Å; I969-Q973 PolarHBondContact O-N 3.46Å
970	R	95.5	Very high	94.3	Very high	103 Å²	103	46.7 Å²	46.7	39%	0.389	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-42.6	179.6	-71.2	168.1	173.2	-176.4	-5.5	111.9	E848 K966 D967 Q973 Q974	E848-R970 IonicContact OE1-CZ 3.6Å; E848-R970 IonicContact OE1-NH2 2.87Å; E848-R970 PolarHBondContact OE1-NH2 3.09Å; E848-R970 IonicContact OE2-CZ 2.71Å; E848-R970 IonicContact OE2-NE 3.52Å; E848-R970 PolarHBondContact OE2-NE 3.06Å; E848-R970 VanDerWaalsContact OE2-NE 3.11Å; E848-R970 IonicContact OE2-NH2 3.7Å; E848-R970 PolarHBondContact OE2-NH2 3.39Å; K966-R970 WeakPolarHBondContact O-CB 3.44Å; K966-R970 VanDerWaalsContact O-CG 3.31Å; K966-R970 WeakPolarHBondContact O-CG 3.36Å; K966-R970 PolarHBondContact O-N 3.43Å; D967-R970 PolarHBondContact O-N 3.02Å; R970-Q973 PolarHBondContact O-N 3.45Å; R970-Q974 WeakPolarHBondContact O-CG 3.39Å; R970-Q974 PolarHBondContact O-N 3.08Å; R970-Q974 VanDerWaalsContact O-N 3.12Å
971	E	95.4	Very high	94	Very high	96 Å²	96	48.1 Å²	48.1	45%	0.449	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-43.1	174	-165.6	-153	-176.8	0	0	111.6	D967 Q974 K975	D967-E971 VanDerWaalsContact O-CB 3.28Å; D967-E971 WeakPolarHBondContact O-CB 3.3Å; D967-E971 PolarHBondContact O-N 3.23Å; E971-Q974 PolarHBondContact O-N 3.2Å; E971-K975 VanDerWaalsContact CD-CE 3.42Å; E971-K975 HydrophobicContact CG-CD 4.46Å; E971-K975 WeakPolarHBondContact O-CG 3.49Å; E971-K975 PolarHBondContact O-N 3.03Å; E971-K975 WeakPolarHBondContact OE1-CE 3.34Å; E971-K975 IonicContact OE1-NZ 2.85Å; E971-K975 PolarHBondContact OE1-NZ 2.82Å; E971-K975 IonicContact OE2-NZ 3.33Å; E971-K975 PolarHBondContact OE2-NZ 3.33Å
972	Q	95.4	Very high	92.6	Very high	16 Å²	16	50.1 Å²	50.1	8%	0.075	27%	0.269	C	S	.	.	H	α-helix	trans	-73.9	-25.8	179.7	-65.9	-71.9	-20.1	0	0	113.3	R825 I903 T949 A950 S968 I969	R825-Q972 PolarHBondContact NH1-O 2.83Å; I903-Q972 HydrophobicContact CD1-CB 4.23Å; I903-Q972 HydrophobicContact CG1-CB 4.09Å; I903-Q972 HydrophobicContact CG2-CB 3.75Å; I903-Q972 HydrophobicContact CG2-CG 4.35Å; T949-Q972 PolarHBondContact O-NE2 2.69Å; A950-Q972 HydrophobicContact CB-CG 4.36Å; S968-Q972 VanDerWaalsContact O-CB 3.26Å; S968-Q972 WeakPolarHBondContact O-CB 3.42Å; S968-Q972 WeakPolarHBondContact O-CG 3.27Å; S968-Q972 PolarHBondContact O-N 2.83Å; I969-Q972 PolarHBondContact O-N 3.35Å
973	Q	95.3	Very high	90.2	Very high	31 Å²	31	56.2 Å²	56.2	15%	0.145	30%	0.296	C	S	.	.	H	α-helix	trans	-71.5	-33.5	169.4	180	61	34.1	0	0	111.9	F823 H882 I903 I969 R970	F823-Q973 PolarHBondContact O-NE2 2.87Å; H882-Q973 PolarHBondContact CE1-OE1 3.35Å; I903-Q973 HydrophobicContact CD1-CB 3.95Å; I969-Q973 WeakPolarHBondContact O-CB 3.44Å; I969-Q973 PolarHBondContact O-N 3.46Å; R970-Q973 PolarHBondContact O-N 3.45Å
974	Q	93.6	Very high	87.4	Confident	167 Å²	167	62.6 Å²	62.6	78%	0.78	32%	0.32	S	S	*	.	H	α-helix	trans	-80.8	-24.3	177.4	-70	174.7	0.2	0	0	113.4	R970 E971 A976	R970-Q974 WeakPolarHBondContact O-CG 3.39Å; R970-Q974 PolarHBondContact O-N 3.08Å; R970-Q974 VanDerWaalsContact O-N 3.12Å; E971-Q974 PolarHBondContact O-N 3.2Å; Q974-A976 PolarHBondContact O-N 2.95Å
975	K	91.3	Very high	84.3	Confident	64 Å²	64	65.7 Å²	65.7	28%	0.278	33%	0.332	S	S	.	.	S	Bend	trans	-67.7	127.4	174.1	-80.9	167.6	179.2	167.2	0	111.1	E971	E971-K975 VanDerWaalsContact CD-CE 3.42Å; E971-K975 HydrophobicContact CG-CD 4.46Å; E971-K975 WeakPolarHBondContact O-CG 3.49Å; E971-K975 PolarHBondContact O-N 3.03Å; E971-K975 WeakPolarHBondContact OE1-CE 3.34Å; E971-K975 IonicContact OE1-NZ 2.85Å; E971-K975 PolarHBondContact OE1-NZ 2.82Å; E971-K975 IonicContact OE2-NZ 3.33Å; E971-K975 PolarHBondContact OE2-NZ 3.33Å
976	A	92	Very high	81.5	Confident	39 Å²	39	70 Å²	70	32%	0.322	38%	0.377	S	S	.	.			trans	-60.7	143.6	168.3	0	0	0	0	0	111.2	L818 R819 E820 Q974	L818-A976 HydrophobicContact CD1-CB 3.96Å; L818-A976 HydrophobicContact CD2-CB 4.13Å; L818-A976 HydrophobicContact CG-CB 3.74Å; R819-A976 CarbonylContact O-C 3.57Å; R819-A976 WeakPolarHBondContact O-CA 3.31Å; E820-A976 HydrophobicContact CG-CB 4.29Å; Q974-A976 PolarHBondContact O-N 2.95Å
977	V	92.4	Very high	78.4	Confident	19 Å²	19	71 Å²	71	12%	0.115	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141.6	-168.6	-176.5	0	0	0	0	110	R819 Y901 V979	R819-V977 PolarHBondContact N-O 2.86Å; R819-V977 PolarHBondContact O-N 3.35Å; Y901-V977 HydrophobicContact CD2-CG1 4.25Å; Y901-V977 HydrophobicContact CG-CG1 4.03Å; V977-V979 HydrophobicContact CB-CG2 4.47Å; V977-V979 HydrophobicContact CG1-CG2 4.39Å; V977-V979 PolarHBondContact O-N 2.83Å
978	W	92.9	Very high	75.5	Confident	58 Å²	58	74.8 Å²	74.8	22%	0.22	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	105.5	169.5	-67.5	104.2	0	0	0	110	Y697 R699 I719 V816 L818	Y697-W978 AromaticContact CD1-CH2 3.48Å; Y697-W978 HydrophobicContact CD1-CH2 3.48Å; Y697-W978 VanDerWaalsContact CD1-CH2 3.48Å; Y697-W978 HydrophobicContact CD1-CZ2 4.41Å; Y697-W978 AromaticContact CD1-CZ3 3.84Å; Y697-W978 HydrophobicContact CD1-CZ3 3.84Å; Y697-W978 HydrophobicContact CD2-CH2 4.28Å; Y697-W978 HydrophobicContact CD2-CZ3 4.08Å; Y697-W978 AromaticContact CE1-CH2 3.77Å; Y697-W978 HydrophobicContact CE1-CH2 3.77Å; Y697-W978 HydrophobicContact CE1-CZ3 4.46Å; Y697-W978 AromaticContact CG-CH2 3.75Å; Y697-W978 HydrophobicContact CG-CH2 3.75Å; Y697-W978 AromaticContact CG-CZ3 3.62Å; Y697-W978 HydrophobicContact CG-CZ3 3.62Å; R699-W978 PolarHBondContact NH1-O 2.89Å; R699-W978 PolarHBondContact NH2-O 3.32Å; I719-W978 HydrophobicContact CD1-CB 4.2Å; I719-W978 HydrophobicContact CD1-CD2 4.48Å; I719-W978 HydrophobicContact CD1-CG 3.99Å; I719-W978 HydrophobicContact CG1-CD2 4.48Å; I719-W978 HydrophobicContact CG1-CG 4.17Å; I719-W978 HydrophobicContact CG2-CD2 4.07Å; I719-W978 HydrophobicContact CG2-CE3 4.41Å; I719-W978 HydrophobicContact CG2-CH2 4.29Å; I719-W978 HydrophobicContact CG2-CZ2 3.94Å; V816-W978 HydrophobicContact CB-CB 4.29Å; V816-W978 HydrophobicContact CB-CE3 4.15Å; V816-W978 HydrophobicContact CG2-CB 4.42Å; V816-W978 HydrophobicContact CG2-CD2 4.32Å; V816-W978 HydrophobicContact CG2-CE3 3.69Å; V816-W978 HydrophobicContact CG2-CZ3 4.35Å; L818-W978 HydrophobicContact CB-CE3 4.2Å; L818-W978 HydrophobicContact CB-CH2 4.3Å; L818-W978 HydrophobicContact CB-CZ3 4.07Å; L818-W978 HydrophobicContact CD1-CD2 3.94Å; L818-W978 HydrophobicContact CD1-CE3 4.42Å; L818-W978 HydrophobicContact CD1-CG 4.22Å; L818-W978 HydrophobicContact CD1-CZ2 4.22Å
979	V	92.2	Very high	72.8	Confident	34 Å²	34	81.8 Å²	81.8	21%	0.206	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	145	-179	172.2	0	0	0	0	109.3	V816 V817 R819 Y901 V977 E981	V816-V979 CarbonylContact C-O 3.04Å; V816-V979 WeakPolarHBondContact CA-O 3.29Å; V817-V979 PolarHBondContact N-O 2.91Å; V817-V979 PolarHBondContact O-N 3.02Å; R819-V979 HydrophobicContact CB-CB 4.44Å; R819-V979 HydrophobicContact CB-CG2 3.99Å; R819-V979 HydrophobicContact CG-CB 4.17Å; R819-V979 HydrophobicContact CG-CG2 4.26Å; Y901-V979 HydrophobicContact CD2-CG2 4.04Å; Y901-V979 HydrophobicContact CE2-CB 4.03Å; Y901-V979 HydrophobicContact CE2-CG1 4.03Å; Y901-V979 HydrophobicContact CE2-CG2 3.79Å; V977-V979 HydrophobicContact CB-CG2 4.47Å; V977-V979 HydrophobicContact CG1-CG2 4.39Å; V977-V979 PolarHBondContact O-N 2.83Å; V979-E981 PolarHBondContact O-N 3.44Å
980	S	90.3	Very high	70.1	Confident	17 Å²	17	83.8 Å²	83.8	12%	0.119	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	136.5	176.5	-20.4	0	0	0	0	111.5	E814 R815 Q899 Y901 G982	E814-S980 WeakPolarHBondContact OE1-CB 3.4Å; E814-S980 PolarHBondContact OE1-OG 3.16Å; R815-S980 CarbonylContact O-C 3.57Å; R815-S980 WeakPolarHBondContact O-CA 3.34Å; Q899-S980 PolarHBondContact NE2-OG 2.89Å; Y901-S980 PolarHBondContact OH-N 2.95Å; Y901-S980 PolarHBondContact OH-OG 3.03Å; S980-G982 PolarHBondContact O-N 3.27Å
981	E	86.1	Confident	67.6	Low	82 Å²	82	85 Å²	85	38%	0.383	46%	0.459	S	S	.	.			trans	-71.7	90.1	170.2	-174.2	172.9	-102.9	0	0	109.3	R815 V817 V979	R815-E981 HydrophobicContact CB-CB 3.87Å; R815-E981 WeakPolarHBondContact CD-OE2 3.41Å; R815-E981 IonicContact CZ-OE2 2.69Å; R815-E981 IonicContact NE-OE2 3.24Å; R815-E981 IonicContact NH1-OE2 2.91Å; R815-E981 PolarHBondContact NH1-OE2 3.03Å; R815-E981 PolarHBondContact O-N 3.43Å; V817-E981 HydrophobicContact CG1-CB 4.4Å; V817-E981 HydrophobicContact CG1-CG 4.42Å; V979-E981 PolarHBondContact O-N 3.44Å
982	G	64.6	Low	65.2	Low	49 Å²	49	86.6 Å²	86.6	51%	0.505	47%	0.471	S	S	.	.			trans	-69.8	145.8	157.5	0	0	0	0	0	109.5	S980 M984	S980-G982 PolarHBondContact O-N 3.27Å; G982-M984 PolarHBondContact O-N 3.29Å
983	K	44.3	Very low	62.7	Low	155 Å²	155	90.6 Å²	90.6	67%	0.674	49%	0.492	S	S	*	.			trans	-69.7	95.5	-179.5	-74.3	-173.6	174.6	-173.9	0	110.3	D985	K983-D985 PolarHBondContact O-N 3.1Å
984	M	35.4	Very low	60.3	Low	163 Å²	163	95.3 Å²	95.3	80%	0.803	51%	0.514	S	S	*	.			trans	-80.3	54.3	172.6	-168.4	107	75.4	0	0	111.3	G982	G982-M984 PolarHBondContact O-N 3.29Å
985	D	32.6	Very low	57.7	Low	115 Å²	115	92.5 Å²	92.5	62%	0.615	50%	0.504	S	S	*	.			trans	-106.7	117.5	168.6	-71.8	-52.1	0	0	0	107.8	K983 S987	K983-D985 PolarHBondContact O-N 3.1Å; D985-S987 PolarHBondContact O-N 3.34Å
986	G	36.9	Very low	55.4	Low	91 Å²	91	94.5 Å²	94.5	94%	0.938	52%	0.518	S	S	*	.			trans	-75	41.9	-170.1	0	0	0	0	0	115.7
987	S	30.8	Very low	53.3	Low	70 Å²	70	97.1 Å²	97.1	49%	0.49	52%	0.52	S	S	.	.			trans	-85.4	136.2	167	48.7	0	0	0	0	110.3	D985 E989 D990	D985-S987 PolarHBondContact O-N 3.34Å; S987-E989 PolarHBondContact O-N 3.02Å; S987-D990 PolarHBondContact O-N 3.2Å
988	E	35.4	Very low	50.9	Low	181 Å²	181	101.3 Å²	101.3	85%	0.846	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-9.9	-170.2	-59.3	179.4	136.4	0	0	114.5	D990	E988-D990 VanDerWaalsContact C-N 3.32Å; E988-D990 PolarHBondContact O-N 2.86Å
989	E	40	Very low	48.5	Very low	168 Å²	168	100.7 Å²	100.7	79%	0.785	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.1	172.2	-83.8	-177.7	142.2	0	0	115.1	S987 L991	S987-E989 PolarHBondContact O-N 3.02Å; E989-L991 VanDerWaalsContact C-N 3.28Å; E989-L991 PolarHBondContact O-N 2.65Å
990	D	40.3	Very low	46.3	Very low	42 Å²	42	102.8 Å²	102.8	23%	0.225	55%	0.549	C	S	.	.	H	α-helix	trans	-78	-9.3	-176	-159.3	65.5	0	0	0	113.7	S987 E988 D992 L993 Q994	S987-D990 PolarHBondContact O-N 3.2Å; E988-D990 VanDerWaalsContact C-N 3.32Å; E988-D990 PolarHBondContact O-N 2.86Å; D990-D992 VanDerWaalsContact C-N 3.33Å; D990-D992 PolarHBondContact O-N 3.41Å; D990-L993 PolarHBondContact O-N 3.1Å; D990-Q994 PolarHBondContact O-N 2.79Å
991	L	42.4	Very low	44.3	Very low	127 Å²	127	103.9 Å²	103.9	67%	0.665	55%	0.553	S	S	*	*	H	α-helix	trans	-60.6	-42.6	174.4	-72.2	173.3	0	0	0	111.7	E989 L993 Q994 D995	E989-L991 VanDerWaalsContact C-N 3.28Å; E989-L991 PolarHBondContact O-N 2.65Å; L991-L993 VanDerWaalsContact C-N 3.28Å; L991-L993 PolarHBondContact O-N 3.36Å; L991-Q994 PolarHBondContact O-N 2.66Å; L991-D995 PolarHBondContact O-N 2.73Å; L991-D995 VanDerWaalsContact O-N 3.1Å
992	D	44.8	Very low	42.3	Very low	130 Å²	130	104.7 Å²	104.7	70%	0.695	57%	0.568	S	S	*	*	H	α-helix	trans	-65	-32.1	177.8	-76.3	-3.3	0	0	0	111.6	D990 D995 D996	D990-D992 VanDerWaalsContact C-N 3.33Å; D990-D992 PolarHBondContact O-N 3.41Å; D992-D995 PolarHBondContact O-N 2.95Å; D992-D996 WeakPolarHBondContact O-CB 3.35Å; D992-D996 PolarHBondContact O-N 2.88Å
993	L	43.3	Very low	41.1	Very low	101 Å²	101	106.3 Å²	106.3	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-77.4	-27.1	179.5	-70.9	177.8	0	0	0	113.5	D990 L991 R997	D990-L993 PolarHBondContact O-N 3.1Å; L991-L993 VanDerWaalsContact C-N 3.28Å; L991-L993 PolarHBondContact O-N 3.36Å; L993-R997 PolarHBondContact O-N 2.93Å
994	Q	44.3	Very low	41	Very low	129 Å²	129	103.5 Å²	103.5	60%	0.603	57%	0.567	S	S	*	*	H	α-helix	trans	-73.6	-39.5	168.5	-68	-168.3	18.9	0	0	111.6	D990 L991 R997 M998	D990-Q994 PolarHBondContact O-N 2.79Å; L991-Q994 PolarHBondContact O-N 2.66Å; Q994-R997 PolarHBondContact O-N 3.19Å; Q994-M998 PolarHBondContact O-N 2.82Å; Q994-M998 VanDerWaalsContact O-N 3.09Å
995	D	40.1	Very low	41.1	Very low	108 Å²	108	100.1 Å²	100.1	58%	0.578	56%	0.559	S	S	*	*	H	α-helix	trans	-71	-32.6	175	-159.9	39	0	0	0	112.1	L991 D992 R997 M998 S999	L991-D995 PolarHBondContact O-N 2.73Å; L991-D995 VanDerWaalsContact O-N 3.1Å; D992-D995 PolarHBondContact O-N 2.95Å; D995-R997 VanDerWaalsContact C-N 3.29Å; D995-R997 PolarHBondContact O-N 3.5Å; D995-M998 PolarHBondContact O-N 3.47Å; D995-S999 WeakPolarHBondContact O-CA 3.25Å; D995-S999 WeakPolarHBondContact O-CB 3.41Å; D995-S999 PolarHBondContact O-N 2.93Å; D995-S999 PolarHBondContact O-OG 2.84Å
996	D	43.1	Very low	41.6	Very low	107 Å²	107	95.7 Å²	95.7	57%	0.572	54%	0.539	S	S	*	.	H	α-helix	trans	-59.2	-42	169.2	-125.5	3.3	0	0	0	110.6	D992 M998 S999 Y1000	D992-D996 WeakPolarHBondContact O-CB 3.35Å; D992-D996 PolarHBondContact O-N 2.88Å; D996-M998 VanDerWaalsContact C-N 3.34Å; D996-M998 PolarHBondContact O-N 2.87Å; D996-S999 WeakPolarHBondContact CA-OG 3.23Å; D996-S999 PolarHBondContact O-OG 3.29Å; D996-Y1000 WeakPolarHBondContact O-CB 3.29Å; D996-Y1000 PolarHBondContact O-N 2.81Å
997	R	47.8	Very low	41.9	Very low	94 Å²	94	95.1 Å²	95.1	36%	0.355	51%	0.514	S	S	.	.	H	α-helix	trans	-71.3	-26.1	-179.6	-156.1	172.2	-175.7	-173.4	-0.1	113.4	Y897 Q899 L993 Q994 D995	Y897-R997 PolarHBondContact O-NH2 2.89Å; Q899-R997 VanDerWaalsContact CD-NH1 3.31Å; L993-R997 PolarHBondContact O-N 2.93Å; Q994-R997 PolarHBondContact O-N 3.19Å; D995-R997 VanDerWaalsContact C-N 3.29Å; D995-R997 PolarHBondContact O-N 3.5Å
998	M	41.7	Very low	42.9	Very low	106 Å²	106	97.7 Å²	97.7	52%	0.522	51%	0.514	S	S	.	.	H	α-helix	trans	-88.6	-46.7	175.7	-74.6	-72	-75.3	0	0	112.4	Q994 D995 D996 Y1000 L1001 S1002	Q994-M998 PolarHBondContact O-N 2.82Å; Q994-M998 VanDerWaalsContact O-N 3.09Å; D995-M998 PolarHBondContact O-N 3.47Å; D996-M998 VanDerWaalsContact C-N 3.34Å; D996-M998 PolarHBondContact O-N 2.87Å; M998-Y1000 PolarHBondContact O-N 3.3Å; M998-L1001 VanDerWaalsContact O-CB 3.27Å; M998-L1001 WeakPolarHBondContact O-CB 3.44Å; M998-L1001 PolarHBondContact O-N 2.9Å; M998-L1001 HydrophobicContact SD-CD1 4.3Å; M998-S1002 PolarHBondContact O-N 3.42Å
999	S	42.8	Very low	43.9	Very low	46 Å²	46	89.4 Å²	89.4	32%	0.322	48%	0.475	S	S	.	.	H	α-helix	trans	-61.2	-29	174.3	72.5	0	0	0	0	112	D995 D996 L1001 S1002 A1003	D995-S999 WeakPolarHBondContact O-CA 3.25Å; D995-S999 WeakPolarHBondContact O-CB 3.41Å; D995-S999 PolarHBondContact O-N 2.93Å; D995-S999 PolarHBondContact O-OG 2.84Å; D996-S999 WeakPolarHBondContact CA-OG 3.23Å; D996-S999 PolarHBondContact O-OG 3.29Å; S999-L1001 PolarHBondContact O-N 2.79Å; S999-S1002 CarbonylContact O-C 3.48Å; S999-S1002 WeakPolarHBondContact O-CB 3.19Å; S999-S1002 PolarHBondContact O-N 3.5Å; S999-S1002 VanDerWaalsContact O-N 3.13Å; S999-A1003 WeakPolarHBondContact O-CB 3.46Å; S999-A1003 PolarHBondContact O-N 3.49Å
1000	Y	44.9	Very low	44.3	Very low	78 Å²	78	83.3 Å²	83.3	31%	0.306	45%	0.451	S	S	.	.	H	α-helix	trans	-61.1	-28.2	170.3	-170.2	-111.5	0	0	0	113.7	K809 D996 M998 M1004	K809-Y1000 HydrophobicContact CD-CE1 3.75Å; K809-Y1000 VanDerWaalsContact CD-OH 3.27Å; K809-Y1000 WeakPolarHBondContact CD-OH 3.48Å; K809-Y1000 WeakPolarHBondContact CE-OH 3.34Å; K809-Y1000 VanDerWaalsContact NZ-CZ 3.31Å; K809-Y1000 PolarHBondContact NZ-OH 3.18Å; D996-Y1000 WeakPolarHBondContact O-CB 3.29Å; D996-Y1000 PolarHBondContact O-N 2.81Å; M998-Y1000 PolarHBondContact O-N 3.3Å; Y1000-M1004 HydrophobicContact CD1-CG 4.38Å; Y1000-M1004 HydrophobicContact CE1-CG 4.12Å; Y1000-M1004 HydrophobicContact CE2-CE 4.06Å; Y1000-M1004 HydrophobicContact CE2-CG 4.27Å; Y1000-M1004 VanDerWaalsContact O-CB 3.24Å; Y1000-M1004 WeakPolarHBondContact O-CB 3.23Å; Y1000-M1004 VanDerWaalsContact O-CG 3.25Å; Y1000-M1004 WeakPolarHBondContact O-CG 3.49Å; Y1000-M1004 PolarHBondContact O-N 3.41Å; Y1000-M1004 VanDerWaalsContact O-N 3.09Å
1001	L	49.4	Very low	44.6	Very low	40 Å²	40	82.2 Å²	82.2	21%	0.209	45%	0.445	C	S	.	.	H	α-helix	trans	-71.5	-44.2	172.5	-60.2	173.6	0	0	0	110.6	L870 T898 M998 S999 M1004 S1005 A1006	L870-L1001 HydrophobicContact CD1-CD1 4.47Å; T898-L1001 HydrophobicContact CG2-CD1 4.4Å; T898-L1001 HydrophobicContact CG2-CD2 3.76Å; M998-L1001 VanDerWaalsContact O-CB 3.27Å; M998-L1001 WeakPolarHBondContact O-CB 3.44Å; M998-L1001 PolarHBondContact O-N 2.9Å; M998-L1001 HydrophobicContact SD-CD1 4.3Å; S999-L1001 PolarHBondContact O-N 2.79Å; L1001-M1004 PolarHBondContact O-N 2.91Å; L1001-S1005 PolarHBondContact O-N 3.2Å; L1001-A1006 HydrophobicContact CB-CB 4.06Å; L1001-A1006 HydrophobicContact CD2-CB 3.92Å; L1001-A1006 VanDerWaalsContact O-CB 3.22Å; L1001-A1006 WeakPolarHBondContact O-CB 3.48Å; L1001-A1006 PolarHBondContact O-N 2.96Å
1002	S	43.5	Very low	44.3	Very low	99 Å²	99	79 Å²	79	69%	0.692	43%	0.428	S	S	*	.	H	α-helix	trans	-59.5	-45.5	172.7	-56.3	0	0	0	0	111.8	M998 S999 M1004 S1005	M998-S1002 PolarHBondContact O-N 3.42Å; S999-S1002 CarbonylContact O-C 3.48Å; S999-S1002 WeakPolarHBondContact O-CB 3.19Å; S999-S1002 PolarHBondContact O-N 3.5Å; S999-S1002 VanDerWaalsContact O-N 3.13Å; S1002-M1004 VanDerWaalsContact C-N 3.29Å; S1002-M1004 PolarHBondContact O-N 3.15Å; S1002-S1005 PolarHBondContact O-N 3.49Å
1003	A	39.3	Very low	44.3	Very low	82 Å²	82	75.4 Å²	75.4	68%	0.678	41%	0.413	S	S	*	.	H	α-helix	trans	-68.2	-23.9	179.4	0	0	0	0	0	113.8	S999	S999-A1003 WeakPolarHBondContact O-CB 3.46Å; S999-A1003 PolarHBondContact O-N 3.49Å
1004	M	41.2	Very low	44.3	Very low	96 Å²	96	73.9 Å²	73.9	47%	0.473	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	2.2	177.1	-79	-85.2	145.3	0	0	114	K809 Y1000 L1001 S1002 A1006	K809-M1004 PolarHBondContact NZ-SD 2.89Å; Y1000-M1004 HydrophobicContact CD1-CG 4.38Å; Y1000-M1004 HydrophobicContact CE1-CG 4.12Å; Y1000-M1004 HydrophobicContact CE2-CE 4.06Å; Y1000-M1004 HydrophobicContact CE2-CG 4.27Å; Y1000-M1004 VanDerWaalsContact O-CB 3.24Å; Y1000-M1004 WeakPolarHBondContact O-CB 3.23Å; Y1000-M1004 VanDerWaalsContact O-CG 3.25Å; Y1000-M1004 WeakPolarHBondContact O-CG 3.49Å; Y1000-M1004 PolarHBondContact O-N 3.41Å; Y1000-M1004 VanDerWaalsContact O-N 3.09Å; L1001-M1004 PolarHBondContact O-N 2.91Å; S1002-M1004 VanDerWaalsContact C-N 3.29Å; S1002-M1004 PolarHBondContact O-N 3.15Å; M1004-A1006 HydrophobicContact CB-CB 4.04Å; M1004-A1006 PolarHBondContact O-N 3.3Å
1005	S	37.9	Very low	43.9	Very low	93 Å²	93	73.2 Å²	73.2	65%	0.65	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	37.8	-169.4	-51.5	0	0	0	0	112.1	L1001 S1002 D1007	L1001-S1005 PolarHBondContact O-N 3.2Å; S1002-S1005 PolarHBondContact O-N 3.49Å; S1005-D1007 VanDerWaalsContact C-N 3.26Å; S1005-D1007 PolarHBondContact O-N 3.43Å; S1005-D1007 VanDerWaalsContact O-N 3.14Å
1006	A	42.9	Very low	43.7	Very low	22 Å²	22	71.9 Å²	71.9	18%	0.182	40%	0.396	C	S	.	.			trans	-81.9	12.6	-159.9	0	0	0	0	0	116	L870 L1001 M1004 Y1008	L870-A1006 WeakPolarHBondContact CD1-O 3.37Å; L1001-A1006 HydrophobicContact CB-CB 4.06Å; L1001-A1006 HydrophobicContact CD2-CB 3.92Å; L1001-A1006 VanDerWaalsContact O-CB 3.22Å; L1001-A1006 WeakPolarHBondContact O-CB 3.48Å; L1001-A1006 PolarHBondContact O-N 2.96Å; M1004-A1006 HydrophobicContact CB-CB 4.04Å; M1004-A1006 PolarHBondContact O-N 3.3Å; A1006-Y1008 PolarHBondContact O-N 3.31Å
1007	D	44.1	Very low	43.6	Very low	78 Å²	78	68.5 Å²	68.5	42%	0.417	38%	0.381	S	S	.	.	S	Bend	trans	-62.8	2.5	169.5	-79.3	-40.1	0	0	0	113.9	R869 S1005	R869-D1007 VanDerWaalsContact CA-O 3.25Å; R869-D1007 WeakPolarHBondContact CA-O 3.44Å; R869-D1007 WeakPolarHBondContact CG-O 2.93Å; S1005-D1007 VanDerWaalsContact C-N 3.26Å; S1005-D1007 PolarHBondContact O-N 3.43Å; S1005-D1007 VanDerWaalsContact O-N 3.14Å
1008	Y	50.9	Low	42.9	Very low	125 Å²	125	69.3 Å²	69.3	49%	0.49	39%	0.393	S	S	.	.			trans	-129.2	80.5	-163.1	-73.4	-79.3	0	0	0	113.3	V867 A1006 S1010	V867-Y1008 HydrophobicContact CB-CD1 3.87Å; V867-Y1008 HydrophobicContact CG1-CD1 3.7Å; V867-Y1008 HydrophobicContact CG1-CG 4.19Å; V867-Y1008 HydrophobicContact CG2-CD1 4.07Å; A1006-Y1008 PolarHBondContact O-N 3.31Å; Y1008-S1010 PolarHBondContact O-N 3.32Å
1009	L	57.1	Low	42.6	Very low	7 Å²	7	73.5 Å²	73.5	4%	0.037	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	91	171.6	-64.4	174.6	0	0	0	111.4	V867 V868 L870 I873 V887 A891 T894 L895 M1011	V867-L1009 VanDerWaalsContact CG1-C 3.45Å; V867-L1009 VanDerWaalsContact CG1-N 3.35Å; V867-L1009 WeakPolarHBondContact CG1-O 3.42Å; V868-L1009 PolarHBondContact N-O 2.92Å; V868-L1009 WeakPolarHBondContact O-CB 3.45Å; V868-L1009 PolarHBondContact O-N 2.98Å; L870-L1009 HydrophobicContact CD2-CD1 3.82Å; L870-L1009 HydrophobicContact CD2-CD2 4.47Å; L870-L1009 HydrophobicContact CD2-CG 4.27Å; L870-L1009 HydrophobicContact CG-CD1 4.42Å; L870-L1009 HydrophobicContact CG-CG 4.49Å; I873-L1009 HydrophobicContact CD1-CD1 3.53Å; V887-L1009 HydrophobicContact CG1-CB 4.48Å; A891-L1009 HydrophobicContact CB-CB 4.1Å; A891-L1009 HydrophobicContact CB-CD2 4.12Å; T894-L1009 HydrophobicContact CG2-CD2 4.05Å; L895-L1009 HydrophobicContact CD1-CD1 4.18Å; L895-L1009 HydrophobicContact CD2-CD1 3.82Å; L895-L1009 HydrophobicContact CG-CD1 4.02Å; L1009-M1011 PolarHBondContact O-N 2.88Å
1010	S	47.9	Very low	42.5	Very low	39 Å²	39	76.5 Å²	76.5	27%	0.273	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	129	-169.9	-167.6	0	0	0	0	114.8	T888 Y1008 D1012	T888-S1010 VanDerWaalsContact CG2-O 3.27Å; T888-S1010 WeakPolarHBondContact CG2-O 3.3Å; T888-S1010 PolarHBondContact OG1-O 2.81Å; Y1008-S1010 PolarHBondContact O-N 3.32Å; S1010-D1012 PolarHBondContact O-N 3.13Å; S1010-D1012 WeakPolarHBondContact OG-CB 3.4Å; S1010-D1012 PolarHBondContact OG-N 2.9Å
1011	M	47.2	Very low	42.1	Very low	20 Å²	20	79 Å²	79	10%	0.099	44%	0.435	C	S	.	.			trans	-76.5	11.5	171.5	-50.9	-85.6	90.5	0	0	113.4	T854 G866 V868 D886 V887 L1009 S1013	T854-M1011 HydrophobicContact CG2-CG 4.37Å; T854-M1011 HydrophobicContact CG2-SD 3.54Å; T854-M1011 VanDerWaalsContact CG2-SD 3.54Å; G866-M1011 VanDerWaalsContact O-CB 3.23Å; G866-M1011 WeakPolarHBondContact O-CB 3.36Å; G866-M1011 WeakPolarHBondContact O-CG 3.47Å; V868-M1011 HydrophobicContact CB-CE 4.2Å; V868-M1011 HydrophobicContact CG2-CE 3.58Å; V868-M1011 HydrophobicContact CG2-SD 4.13Å; D886-M1011 VanDerWaalsContact C-CE 3.47Å; D886-M1011 VanDerWaalsContact O-CE 3.31Å; D886-M1011 WeakPolarHBondContact O-CE 3.47Å; V887-M1011 HydrophobicContact CB-CE 4.13Å; V887-M1011 HydrophobicContact CG1-CE 3.39Å; L1009-M1011 PolarHBondContact O-N 2.88Å; M1011-S1013 VanDerWaalsContact C-N 3.29Å; M1011-S1013 PolarHBondContact O-N 3.2Å
1012	D	36.6	Very low	41.7	Very low	58 Å²	58	83.8 Å²	83.8	31%	0.31	47%	0.466	S	S	.	.			trans	-73.8	74.9	-170.5	-166.4	-9.2	0	0	0	114.2	T888 S1010 R1014 L1015	T888-D1012 VanDerWaalsContact CG2-N 3.34Å; T888-D1012 WeakPolarHBondContact CG2-O 3.45Å; S1010-D1012 PolarHBondContact O-N 3.13Å; S1010-D1012 WeakPolarHBondContact OG-CB 3.4Å; S1010-D1012 PolarHBondContact OG-N 2.9Å; D1012-R1014 PolarHBondContact O-N 2.91Å; D1012-R1014 WeakPolarHBondContact OD1-CA 3.38Å; D1012-R1014 WeakPolarHBondContact OD1-CB 3.31Å; D1012-R1014 PolarHBondContact OD1-N 3.08Å; D1012-L1015 PolarHBondContact OD1-N 2.75Å; D1012-L1015 WeakPolarHBondContact OD2-CD1 3.23Å
1013	S	43.3	Very low	41.4	Very low	55 Å²	55	82.8 Å²	82.8	39%	0.385	46%	0.464	S	S	.	.			trans	-80.5	13.7	163.8	-173.7	0	0	0	0	112.3	Q936 M1011	Q936-S1013 PolarHBondContact NE2-OG 2.8Å; M1011-S1013 VanDerWaalsContact C-N 3.29Å; M1011-S1013 PolarHBondContact O-N 3.2Å
1014	R	43.9	Very low	41.3	Very low	70 Å²	70	86.7 Å²	86.7	26%	0.264	47%	0.474	S	S	.	.			trans	-111.9	-1.8	-168.9	-61.5	-167.6	-158.9	161.4	7.2	115.3	K863 S864 D1012 T1016 S1017	K863-R1014 PolarHBondContact O-NH1 3.12Å; K863-R1014 PolarHBondContact O-NH2 3.33Å; K863-R1014 VanDerWaalsContact O-NH2 3.16Å; S864-R1014 VanDerWaalsContact C-NH2 3.27Å; S864-R1014 PolarHBondContact O-NH2 2.7Å; S864-R1014 PolarHBondContact OG-NH2 2.86Å; D1012-R1014 PolarHBondContact O-N 2.91Å; D1012-R1014 WeakPolarHBondContact OD1-CA 3.38Å; D1012-R1014 WeakPolarHBondContact OD1-CB 3.31Å; D1012-R1014 PolarHBondContact OD1-N 3.08Å; R1014-T1016 PolarHBondContact O-N 3.48Å; R1014-S1017 VanDerWaalsContact CA-OG 3.26Å; R1014-S1017 WeakPolarHBondContact CA-OG 3.44Å; R1014-S1017 VanDerWaalsContact CB-OG 3.28Å; R1014-S1017 WeakPolarHBondContact CB-OG 3.47Å; R1014-S1017 PolarHBondContact O-N 2.78Å; R1014-S1017 PolarHBondContact O-OG 3.15Å
1015	L	37.1	Very low	41.1	Very low	115 Å²	115	91.8 Å²	91.8	60%	0.602	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-7.3	161.8	-123.7	74.5	0	0	0	114.5	A804 D1012	A804-L1015 HydrophobicContact CB-CD2 4.28Å; D1012-L1015 PolarHBondContact OD1-N 2.75Å; D1012-L1015 WeakPolarHBondContact OD2-CD1 3.23Å
1016	T	35.8	Very low	41.2	Very low	79 Å²	79	90.8 Å²	90.8	49%	0.485	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-7.2	174.2	48.9	0	0	0	0	115.5	R1014	R1014-T1016 PolarHBondContact O-N 3.48Å
1017	S	40	Very low	40.6	Very low	37 Å²	37	93.6 Å²	93.6	26%	0.259	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-35.3	-167.4	52.6	0	0	0	0	116.5	R1014 Y1019	R1014-S1017 VanDerWaalsContact CA-OG 3.26Å; R1014-S1017 WeakPolarHBondContact CA-OG 3.44Å; R1014-S1017 VanDerWaalsContact CB-OG 3.28Å; R1014-S1017 WeakPolarHBondContact CB-OG 3.47Å; R1014-S1017 PolarHBondContact O-N 2.78Å; R1014-S1017 PolarHBondContact O-OG 3.15Å; S1017-Y1019 VanDerWaalsContact C-N 3.28Å; S1017-Y1019 PolarHBondContact O-N 2.82Å
1018	D	32.3	Very low	40.1	Very low	111 Å²	111	94 Å²	94	59%	0.594	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	47.8	-156.2	-70.8	25.3	0	0	0	113.7
1019	Y	36.3	Very low	39.3	Very low	193 Å²	193	98.5 Å²	98.5	76%	0.757	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.1	10.1	179.1	-110.9	-59.8	0	0	0	118	S1017	S1017-Y1019 VanDerWaalsContact C-N 3.28Å; S1017-Y1019 PolarHBondContact O-N 2.82Å
1020	D	40.2	Very low	38.2	Very low	109 Å²	109	104.1 Å²	104.1	58%	0.583	60%	0.598	S	S	*	*	S	Bend	trans	-124.7	-2	-179.2	-106.3	-30.6	0	0	0	114.9	T1022	D1020-T1022 PolarHBondContact O-N 3.22Å; D1020-T1022 VanDerWaalsContact O-N 3.11Å
1021	D	36.5	Very low	37.4	Very low	132 Å²	132	109 Å²	109	71%	0.706	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	26.1	-176.7	-72.7	2.6	0	0	0	113.5	K932	K932-D1021 IonicContact NZ-OD1 2.88Å; K932-D1021 PolarHBondContact NZ-OD1 3.2Å; K932-D1021 IonicContact NZ-OD2 3.08Å; K932-D1021 PolarHBondContact NZ-OD2 3.42Å
1022	T	42	Very low	36.6	Very low	140 Å²	140	114.1 Å²	114.1	86%	0.859	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	33.6	175.3	68.1	0	0	0	0	112.3	D1020	D1020-T1022 PolarHBondContact O-N 3.22Å; D1020-T1022 VanDerWaalsContact O-N 3.11Å
1023	A	37.2	Very low	36.2	Very low	78 Å²	78	119.4 Å²	119.4	65%	0.645	67%	0.672	S	S	*	*			trans	-135.3	17.1	-167	0	0	0	0	0	115.6
1024	D	36.8	Very low	35.7	Very low	164 Å²	164	124.1 Å²	124.1	88%	0.877	69%	0.692	S	S	*	*			trans	-130.4	38.3	-179.6	-153.4	15.1	0	0	0	113.8
1025	E	36.8	Very low	35.1	Very low	202 Å²	202	128.9 Å²	128.9	94%	0.944	72%	0.723	S	S	*	*			trans	-104.2	78.3	159.5	-169	164.9	-153	0	0	108.7
1026	G	40.4	Very low	35	Very low	73 Å²	73	129.8 Å²	129.8	75%	0.753	72%	0.724	S	S	*	*			trans	-116.8	51.7	-171.6	0	0	0	0	0	114
1027	G	30.5	Very low	34.7	Very low	80 Å²	80	131.9 Å²	131.9	83%	0.825	74%	0.739	S	S	*	*			trans	-83.8	120.5	176	0	0	0	0	0	112.5
1028	A	33.9	Very low	34.1	Very low	87 Å²	87	135.4 Å²	135.4	72%	0.719	75%	0.754	S	S	*	*			trans	-134.1	113.9	175	0	0	0	0	0	110.8
1029	Y	32.6	Very low	33.9	Very low	220 Å²	220	138.4 Å²	138.4	86%	0.863	77%	0.77	S	S	*	*			trans	-140.6	122.6	173	-88.7	-77.8	0	0	0	112.1
1030	T	34.3	Very low	33.4	Very low	124 Å²	124	134.5 Å²	134.5	76%	0.761	76%	0.762	S	S	*	*			trans	27.1	107.6	145.4	53.5	0	0	0	0	119.6
1031	D	30.8	Very low	33.2	Very low	142 Å²	142	135 Å²	135	76%	0.759	77%	0.772	S	S	*	*			trans	-25.9	129.3	132.4	179	17.6	0	0	0	114.4
1032	N	31.1	Very low	32.8	Very low	127 Å²	127	133.3 Å²	133.3	68%	0.679	77%	0.766	S	S	*	*				-163.3	132.8	127.8	-123.3	75.4	0	0	0	111.7
1033	E	28.7	Very low	32.6	Very low	169 Å²	169	132.2 Å²	132.2	79%	0.79	76%	0.762	S	S	*	*			trans	74.3	142.9	160.4	-76.6	159.1	-111.8	0	0	120.8
1034	L	33.2	Very low	32.1	Very low	154 Å²	154	134.3 Å²	134.3	81%	0.806	77%	0.766	S	S	*	*			trans	-100.2	162.9	-177.9	-70.2	67.5	0	0	0	109.7
1035	D	31	Very low	31.6	Very low	171 Å²	171	131.7 Å²	131.7	91%	0.914	76%	0.76	S	S	*	*				-147.2	137.9	117.6	-115.1	-21.8	0	0	0	110
1036	E	33.8	Very low	31.2	Very low	133 Å²	133	126.1 Å²	126.1	62%	0.621	75%	0.749	S	S	*	*			trans	-102.8	157.2	176.5	-133.5	-179	-163.9	0	0	108.3	L1038	E1036-L1038 HydrophobicContact CG-CD1 4.43Å; E1036-L1038 WeakPolarHBondContact OE1-CD1 3.42Å
1037	P	31	Very low	30.6	Very low	124 Å²	124	130.4 Å²	130.4	81%	0.805	75%	0.753	S	S	*	*				-141.2	162.4	75.3	35	-17.4	0	0	0	115.4
1038	L	27.3	Very low	30.5	Very low	110 Å²	110	131.1 Å²	131.1	58%	0.576	75%	0.746	S	S	*	*			trans	-71.7	161.2	169.6	-51.9	103.5	0	0	0	112.2	E1036	E1036-L1038 HydrophobicContact CG-CD1 4.43Å; E1036-L1038 WeakPolarHBondContact OE1-CD1 3.42Å
1039	D	26.7	Very low	30.4	Very low	174 Å²	174	137.7 Å²	137.7	93%	0.93	75%	0.752	S	S	*	*				-145.4	114.6	123.2	-110.7	-24.5	0	0	0	109.5
1040	D	26.9	Very low	30.3	Very low	111 Å²	111	132.5 Å²	132.5	59%	0.594	75%	0.748	S	S	*	*			trans	-89.4	169.1	172	-131.7	-28.6	0	0	0	107.9	T1042	D1040-T1042 PolarHBondContact OD1-N 3.43Å; D1040-T1042 VanDerWaalsContact OD1-N 3.16Å
1041	P	35.5	Very low	30.1	Very low	121 Å²	121	132 Å²	132	79%	0.786	75%	0.749	S	S	*	*			cis	-139.4	153.6	46.3	36	-15.1	0	0	0	117.8
1042	T	28.3	Very low	29.9	Very low	96 Å²	96	133.8 Å²	133.8	59%	0.589	75%	0.753	S	S	*	*			trans	-49.6	163.3	157.1	77.8	0	0	0	0	114.2	D1040	D1040-T1042 PolarHBondContact OD1-N 3.43Å; D1040-T1042 VanDerWaalsContact OD1-N 3.16Å
1043	P	37.2	Very low	31	Very low	117 Å²	117	133 Å²	133	76%	0.76	76%	0.755	S	S	*	*				-151.2	128.8	82.5	36.3	-15.6	0	0	0	119
1044	V	26.7	Very low	31	Very low	122 Å²	122	128.5 Å²	128.5	74%	0.739	74%	0.739	S	S	*	*				52.8	117.9	117.1	-174.2	0	0	0	0	121.9
1045	S	27.1	Very low	30.7	Very low	108 Å²	108	127.3 Å²	127.3	76%	0.755	73%	0.733	S	S	*	*			trans	79.9	108.2	142.5	-70.4	0	0	0	0	125.1
1046	A	27.5	Very low	31.3	Very low	86 Å²	86	122 Å²	122	71%	0.711	71%	0.707	S	S	*	*				77.5	141.7	105	0	0	0	0	0	124.8
1047	I	29.2	Very low	30.9	Very low	162 Å²	162	123.4 Å²	123.4	83%	0.831	71%	0.714	S	S	*	*			trans	87.2	143.6	142.9	-79.9	164	0	0	0	121.2
1048	S	28.9	Very low	30.8	Very low	96 Å²	96	125 Å²	125	67%	0.671	71%	0.711	S	S	*	*			trans	89.5	103.1	159.5	-78.7	0	0	0	0	122.9
1049	R	31.5	Very low	31.4	Very low	224 Å²	224	124.5 Å²	124.5	85%	0.845	71%	0.714	S	S	*	*				58.5	136.3	114.6	-69	175	148.6	-169.5	-8	122.4
1050	S	29.4	Very low	31.3	Very low	112 Å²	112	126.4 Å²	126.4	78%	0.783	71%	0.708	S	S	*	*			trans	66.4	153.1	153	29.8	0	0	0	0	117.8
1051	S	29.9	Very low	31.2	Very low	112 Å²	112	132.4 Å²	132.4	78%	0.783	72%	0.722	S	S	*	*			cis	-161.1	176.3	-5.1	39.1	0	0	0	0	111.6
1052	E	27.2	Very low	30.8	Very low	180 Å²	180	131 Å²	131	84%	0.841	72%	0.721	S	S	*	*			trans	-52.6	176.8	173.1	-63.6	179.6	110.3	0	0	116.7
1053	P	54.7	Low	30.7	Very low	111 Å²	111	136.8 Å²	136.8	72%	0.721	74%	0.738	S	S	*	*			cis	-139.1	-164	-40.4	36.4	-17	0	0	0	113.6
1054	V	28	Very low	30.3	Very low	75 Å²	75	142.5 Å²	142.5	46%	0.455	74%	0.744	S	S	.	*			trans	149.9	135.4	131.9	173.4	0	0	0	0	114	A302	A302-V1054 HydrophobicContact CB-CB 4.42Å; A302-V1054 HydrophobicContact CB-CG1 3.93Å; A302-V1054 WeakPolarHBondContact CB-O 3.42Å
1055	L	27.5	Very low	30.9	Very low	129 Å²	129	142.9 Å²	142.9	68%	0.675	75%	0.749	S	S	*	*			trans	-105.2	-178.2	-177.4	-80.4	170.6	0	0	0	112.7	P303 S304	P303-L1055 CarbonylContact C-O 3.59Å; P303-L1055 WeakPolarHBondContact CA-O 3.49Å; S304-L1055 PolarHBondContact N-O 3.41Å; S304-L1055 VanDerWaalsContact N-O 3.09Å
1056	P	42	Very low	30.8	Very low	58 Å²	58	140.9 Å²	140.9	38%	0.377	75%	0.745	S	S	.	*			cis	-129.2	-139	-20.4	35.7	-13.8	0	0	0	112.1	R301 A302 P303	R301-P1056 CarbonylContact C-O 3.51Å; R301-P1056 CarbonylContact O-C 3.6Å; R301-P1056 WeakPolarHBondContact O-CA 3.48Å; R301-P1056 VanDerWaalsContact O-O 3.08Å; A302-P1056 PolarHBondContact N-O 2.84Å; P303-P1056 VanDerWaalsContact C-CD 3.43Å; P303-P1056 WeakPolarHBondContact CD-O 3.29Å; P303-P1056 WeakPolarHBondContact O-CD 3.44Å
1057	E	25.6	Very low	30.7	Very low	163 Å²	163	142.5 Å²	142.5	76%	0.762	75%	0.751	S	S	*	*			trans	85.7	126.5	163.7	-57.8	-143.4	113.1	0	0	121.3
1058	E	29.4	Very low	30.7	Very low	159 Å²	159	145 Å²	145	74%	0.743	75%	0.75	S	S	*	*			trans	-81.2	-154.4	159.9	-54.1	-163.3	123.3	0	0	109.5
1059	P	39.2	Very low	30.6	Very low	98 Å²	98	147.6 Å²	147.6	64%	0.636	75%	0.752	S	S	*	*			cis	-143	163.1	-6.4	37	-14.8	0	0	0	119.9
1060	R	24.7	Very low	30.5	Very low	214 Å²	214	143.7 Å²	143.7	81%	0.808	75%	0.752	S	S	*	*			trans	57	133.1	137.8	-67.3	166.7	-169.3	-165.5	0.2	122.7
1061	R	26.3	Very low	30.5	Very low	237 Å²	237	145.9 Å²	145.9	89%	0.894	76%	0.755	S	S	*	*			trans	78.5	92.1	139.7	-76.6	-179	169.3	-177	-3.2	121.2
1062	A	26.2	Very low	30.4	Very low	91 Å²	91	148.7 Å²	148.7	75%	0.752	76%	0.761	S	S	*	*				64.5	127.7	108.7	0	0	0	0	0	122.4
1063	K	27.1	Very low	30.4	Very low	218 Å²	218	151 Å²	151	95%	0.948	76%	0.762	S	S	*	*				-154	161.5	119.9	-109.6	164.5	-174.1	176.6	0	112.7
1064	R	28.8	Very low	29.3	Very low	238 Å²	238	152.6 Å²	152.6	90%	0.898	76%	0.764	S	S	*	*			trans	-85.2	-179.8	174.6	-73.2	178.8	175.3	179.2	-2.5	110.2
1065	P	38.1	Very low	29.8	Very low	130 Å²	130	154.3 Å²	154.3	84%	0.844	78%	0.777	S	S	*	*			cis	-124.3	-176.3	1.8	41.3	-25.2	0	0	0	113.3
1066	G	25.2	Very low	29.9	Very low	65 Å²	65	153.7 Å²	153.7	67%	0.67	78%	0.784	S	S	*	*			cis	-179.6	155.2	-5.7	0	0	0	0	0	109.8
1067	S	26	Very low	30.4	Very low	120 Å²	120	156.3 Å²	156.3	84%	0.839	80%	0.801	S	S	*	*				167.9	167.6	104.1	49.8	0	0	0	0	110.5
1068	R	28.4	Very low	31.9	Very low	214 Å²	214	154 Å²	154	81%	0.808	80%	0.8	S	S	*	*			trans	59	94	162.6	-115.8	158.9	-177.2	169.7	3.4	118.1
1069	E	26.5	Very low	32.7	Very low	152 Å²	152	152.6 Å²	152.6	71%	0.71	80%	0.804	S	S	*	*				77.1	128.2	85.5	-72.6	173.3	155.4	0	0	114.1
1070	V	30.3	Very low	32.3	Very low	141 Å²	141	153 Å²	153	86%	0.855	81%	0.81	S	S	*	*			cis	-144.5	149	-31.7	144.1	0	0	0	0	106.3
1071	L	29	Very low	32.5	Very low	159 Å²	159	152.7 Å²	152.7	83%	0.832	81%	0.814	S	S	*	*			trans	-86.9	165.5	-177.8	-66.5	156.9	0	0	0	112.8
1072	N	28.1	Very low	32.9	Very low	171 Å²	171	146.8 Å²	146.8	91%	0.914	81%	0.805	S	S	*	*			trans	-150.9	160.6	141.7	-109	-19.7	0	0	0	112.7
1073	R	26.7	Very low	34	Very low	229 Å²	229	147.6 Å²	147.6	86%	0.864	80%	0.802	S	S	*	*			trans	-152	155.3	-177.7	179.7	176.5	178.3	169.5	0.7	108.2
1074	D	31.7	Very low	34.4	Very low	143 Å²	143	145.5 Å²	145.5	77%	0.765	80%	0.795	S	S	*	*			trans	-42.1	154.6	170.4	-61.8	-67	0	0	0	114
1075	P	39.9	Very low	35.5	Very low	111 Å²	111	139.1 Å²	139.1	72%	0.721	79%	0.785	S	S	*	*			cis	-154.9	173.9	37.7	44.5	-24.2	0	0	0	120.2
1076	S	29.5	Very low	36.3	Very low	117 Å²	117	137.9 Å²	137.9	82%	0.818	78%	0.777	S	S	*	*			trans	60.3	162.6	139.8	-69.8	0	0	0	0	123.2
1077	P	51.3	Low	36.5	Very low	113 Å²	113	143.6 Å²	143.6	73%	0.734	78%	0.783	S	S	*	*			trans	-119.7	-164.8	-162.6	45.5	-34.1	0	0	0	114.2
1078	P	56.9	Low	36.7	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	78%	0.784	S	S	*	*			cis	-116.7	-168.7	-40	40.3	-24.9	0	0	0	111
1079	P	47	Very low	36.6	Very low	129 Å²	129	145.2 Å²	145.2	84%	0.838	79%	0.786	S	S	*	*				-151.1	-161	81.8	40.1	-18.1	0	0	0	114.7
1080	S	30.7	Very low	36.8	Very low	107 Å²	107	142 Å²	142	75%	0.748	79%	0.785	S	S	*	*			trans	-113.9	153.4	-163.3	53.6	0	0	0	0	117.1
1081	F	29.1	Very low	36.8	Very low	207 Å²	207	143.9 Å²	143.9	91%	0.908	79%	0.785	S	S	*	*			trans	-157.9	163.8	137.5	-141.1	-105.8	0	0	0	112
1082	V	34.4	Very low	36.8	Very low	114 Å²	114	140.3 Å²	140.3	69%	0.691	78%	0.779	S	S	*	*			trans	-145.9	134.2	-162.3	163.8	0	0	0	0	111.1
1083	P	50.3	Low	36.9	Very low	107 Å²	107	142.8 Å²	142.8	70%	0.695	78%	0.775	S	S	*	*				-156	135	117.8	37.8	-18	0	0	0	118.6
1084	E	34.5	Very low	37	Very low	174 Å²	174	137 Å²	137	81%	0.813	77%	0.765	S	S	*	*				63.3	171	124.8	-65.2	-153.5	125.4	0	0	124
1085	P	52.8	Low	36.8	Very low	104 Å²	104	137 Å²	137	68%	0.675	77%	0.766	S	S	*	*			cis	-138.1	-154.3	-49.2	40.6	-21.3	0	0	0	113.5
1086	P	54.8	Low	36.2	Very low	104 Å²	104	136.5 Å²	136.5	68%	0.675	77%	0.765	S	S	*	*				-133	-172.5	-82.8	41.9	-22.9	0	0	0	114.9
1087	K	29.2	Very low	36.3	Very low	186 Å²	186	136.7 Å²	136.7	81%	0.809	76%	0.76	S	S	*	*				164.3	126	124.5	-90.3	170.4	-176.8	175.1	0	117.1
1088	V	29.7	Very low	35.3	Very low	139 Å²	139	142.7 Å²	142.7	84%	0.842	77%	0.768	S	S	*	*			trans	66.8	154.2	130.9	178.5	0	0	0	0	120.8
1089	R	27.3	Very low	33.8	Very low	229 Å²	229	142.4 Å²	142.4	86%	0.864	77%	0.769	S	S	*	*			cis	-179.2	126.5	-49.6	-178.5	-179.5	-177.1	-176.5	2.3	111.2
1090	A	29.7	Very low	32.9	Very low	83 Å²	83	146.4 Å²	146.4	69%	0.686	77%	0.769	S	S	*	*			trans	63.6	175.6	160.4	0	0	0	0	0	117.9
1091	Q	30.1	Very low	32.7	Very low	181 Å²	181	150 Å²	150	85%	0.846	77%	0.774	S	S	*	*			cis	-164.5	142.6	9.2	-151.2	163.2	-7.4	0	0	113.7
1092	A	29.5	Very low	32.6	Very low	85 Å²	85	145 Å²	145	70%	0.702	76%	0.764	S	S	*	*			trans	57.1	163	141.9	0	0	0	0	0	122
1093	R	29.5	Very low	32.3	Very low	222 Å²	222	147.3 Å²	147.3	84%	0.838	77%	0.768	S	S	*	*			cis	-167.1	170.7	-0.9	-129.9	174.7	-172.4	-166.1	1.6	113.4
1094	T	28.7	Very low	31.1	Very low	108 Å²	108	147.6 Å²	147.6	66%	0.663	77%	0.772	S	S	*	*			trans	63.9	146.7	150	50.6	0	0	0	0	120.7
1095	D	27.1	Very low	30.9	Very low	144 Å²	144	144.9 Å²	144.9	77%	0.77	77%	0.772	S	S	*	*			cis	-156.8	176.1	-6.5	-119.1	-29.9	0	0	0	115.8
1096	S	28.3	Very low	29.8	Very low	100 Å²	100	145.3 Å²	145.3	70%	0.699	78%	0.778	S	S	*	*			trans	-56.1	179	-171.6	-45.4	0	0	0	0	118.9
1097	V	31.2	Very low	28.4	Very low	121 Å²	121	147.3 Å²	147.3	73%	0.733	79%	0.788	S	S	*	*				-172.8	148.9	74.4	161.1	0	0	0	0	113.6
1098	R	29.7	Very low	28.2	Very low	239 Å²	239	145.7 Å²	145.7	90%	0.902	79%	0.787	S	S	*	*			trans	71.6	105.7	163.7	-80.6	164.3	-171.1	175.4	2.3	120.5
1099	S	26.2	Very low	28	Very low	108 Å²	108	143.1 Å²	143.1	76%	0.755	78%	0.775	S	S	*	*				-176.3	160.1	101.9	-163.6	0	0	0	0	111.4
1100	Y	28.8	Very low	27.8	Very low	212 Å²	212	138 Å²	138	83%	0.831	77%	0.774	S	S	*	*			trans	-50.4	149.2	172.7	-48.5	-101.5	0	0	0	112.3
1101	E	26.6	Very low	27.8	Very low	183 Å²	183	140.4 Å²	140.4	86%	0.855	77%	0.774	S	S	*	*			cis	-149.6	-173.6	13	-151.8	164.1	150.9	0	0	112.1
1102	S	27.1	Very low	27.6	Very low	101 Å²	101	139.4 Å²	139.4	71%	0.706	78%	0.775	S	S	*	*			trans	-84.7	137.5	-159.8	-59.3	0	0	0	0	118.2
1103	H	26.5	Very low	27.7	Very low	164 Å²	164	139.6 Å²	139.6	76%	0.759	78%	0.776	S	S	*	*			trans	30.9	120.2	133.6	-59.3	-56.7	0	0	0	120.6
1104	S	25.3	Very low	27.7	Very low	112 Å²	112	136.1 Å²	136.1	78%	0.783	78%	0.78	S	S	*	*				83.5	145	65.8	-59.3	0	0	0	0	114.6
1105	S	31.7	Very low	27.6	Very low	117 Å²	117	135.5 Å²	135.5	82%	0.818	79%	0.785	S	S	*	*	S	Bend	trans	-72.1	164.2	-170.3	-46.6	0	0	0	0	115.6
1106	S	29.5	Very low	27.7	Very low	114 Å²	114	133.6 Å²	133.6	80%	0.797	79%	0.79	S	S	*	*			trans	76.5	122.9	166.7	74.9	0	0	0	0	118.1
1107	T	23.9	Very low	27.9	Very low	146 Å²	146	134.4 Å²	134.4	90%	0.896	80%	0.795	S	S	*	*			trans	-115.8	145.1	142	39	0	0	0	0	108.4
1108	I	25.5	Very low	27.9	Very low	151 Å²	151	139.7 Å²	139.7	77%	0.774	80%	0.802	S	S	*	*			trans	-93.8	140.7	174.9	-76.9	173.1	0	0	0	108.9
1109	S	25.8	Very low	28.4	Very low	86 Å²	86	134.3 Å²	134.3	60%	0.601	80%	0.798	S	S	*	*			trans	15.4	129.6	155.2	-46.7	0	0	0	0	120.3
1110	S	23.9	Very low	28.5	Very low	120 Å²	120	133.1 Å²	133.1	84%	0.839	80%	0.795	S	S	*	*				-85.2	123.9	113.8	34	0	0	0	0	106.3
1111	I	28.1	Very low	29.8	Very low	134 Å²	134	128.7 Å²	128.7	69%	0.687	79%	0.792	S	S	*	*			cis	65.9	97.7	41.9	-53.3	177	0	0	0	110.7
1112	D	25.8	Very low	31	Very low	160 Å²	160	125.6 Å²	125.6	86%	0.856	79%	0.788	S	S	*	*				-152.5	160.4	106.2	-131.2	-29.7	0	0	0	112.8
1113	A	33	Very low	32.3	Very low	89 Å²	89	125.8 Å²	125.8	74%	0.736	79%	0.787	S	S	*	*			trans	126.6	80.1	164.4	0	0	0	0	0	117.4
1114	V	29.1	Very low	32.7	Very low	150 Å²	150	124.3 Å²	124.3	91%	0.909	79%	0.789	S	S	*	*			trans	-146	146.5	150.8	-156.6	0	0	0	0	111.5
1115	A	27.2	Very low	32.9	Very low	95 Å²	95	123.3 Å²	123.3	79%	0.785	79%	0.788	S	S	*	*			trans	85.2	55.4	152.1	0	0	0	0	0	122.3
1116	A	29.5	Very low	32.9	Very low	104 Å²	104	124.9 Å²	124.9	86%	0.86	79%	0.786	S	S	*	*			trans	-167.9	134.4	131	0	0	0	0	0	109.5
1117	S	30.5	Very low	33	Very low	116 Å²	116	128.5 Å²	128.5	81%	0.811	79%	0.787	S	S	*	*			cis	-147.3	-179.4	5.2	63.7	0	0	0	0	111.9
1118	R	33	Very low	33.9	Very low	232 Å²	232	127.1 Å²	127.1	88%	0.875	78%	0.781	S	S	*	*			trans	-63.5	168.6	167.7	-73.5	178.1	169	-173.7	-3.1	111.5
1119	P	39.9	Very low	34	Very low	126 Å²	126	126.7 Å²	126.7	82%	0.818	78%	0.78	S	S	*	*			cis	-131.7	-160.9	8.4	40.8	-21.9	0	0	0	114.2
1120	A	28.4	Very low	34.3	Very low	84 Å²	84	129.7 Å²	129.7	69%	0.694	79%	0.788	S	S	*	*			trans	-110.7	-154	168.3	0	0	0	0	0	110.5
1121	P	56.3	Low	34.4	Very low	119 Å²	119	128.3 Å²	128.3	77%	0.773	78%	0.783	S	S	*	*				-80	-157.6	-94.9	43.8	-33.7	0	0	0	111.4
1122	P	50.1	Low	34.4	Very low	117 Å²	117	132.8 Å²	132.8	76%	0.76	79%	0.792	S	S	*	*			cis	-136.8	-126.9	15.8	31.4	-1.5	0	0	0	116.2
1123	P	55.1	Low	34.7	Very low	106 Å²	106	131.2 Å²	131.2	69%	0.688	78%	0.782	S	S	*	*				-127.5	170.6	-92.9	38.6	-22.3	0	0	0	118.5
1124	V	34.3	Very low	34.6	Very low	132 Å²	132	133.9 Å²	133.9	80%	0.8	78%	0.779	S	S	*	*			trans	5.6	128.1	138.7	-174	0	0	0	0	119.3
1125	A	31	Very low	34.5	Very low	92 Å²	92	134.7 Å²	134.7	76%	0.76	77%	0.773	S	S	*	*				-175.3	116.2	128.2	0	0	0	0	0	116.6
1126	L	30.4	Very low	34.7	Very low	150 Å²	150	134.7 Å²	134.7	79%	0.785	77%	0.773	S	S	*	*			trans	18.2	133.5	132.9	-58	169.8	0	0	0	123
1127	K	33	Very low	35.4	Very low	189 Å²	189	135.4 Å²	135.4	82%	0.822	77%	0.769	S	S	*	*				31.7	142.2	125	-70.3	-179.4	177.5	179.6	0	119.8
1128	P	41.7	Very low	35.3	Very low	117 Å²	117	139.1 Å²	139.1	76%	0.76	77%	0.774	S	S	*	*				-154.3	153.5	52.5	41.1	-20.2	0	0	0	120.9
1129	N	28.4	Very low	35.3	Very low	142 Å²	142	136.7 Å²	136.7	76%	0.759	77%	0.772	S	S	*	*				18.7	130.7	127.7	-168.8	35.7	0	0	0	121.1
1130	I	30.7	Very low	35.1	Very low	150 Å²	150	136.2 Å²	136.2	77%	0.769	77%	0.77	S	S	*	*				175.2	142.1	121.4	-92.1	159.7	0	0	0	114.6
1131	A	26.3	Very low	35.2	Very low	90 Å²	90	136.5 Å²	136.5	74%	0.744	77%	0.772	S	S	*	*			trans	57.1	129.6	155.8	0	0	0	0	0	125.4
1132	R	29.2	Very low	34.2	Very low	229 Å²	229	137 Å²	137	86%	0.864	78%	0.775	S	S	*	*			trans	-43	168	147.9	-66	164.5	159.6	-179.2	-6.1	114
1133	L	30.5	Very low	33.3	Very low	126 Å²	126	135.9 Å²	135.9	66%	0.66	78%	0.776	S	S	*	*			cis	-171	148.4	41.7	-164.6	70.4	0	0	0	115.1
1134	H	31.6	Very low	32.3	Very low	145 Å²	145	138.2 Å²	138.2	67%	0.671	78%	0.782	S	S	*	*			trans	74.4	128.5	153.3	-76.9	-29.4	0	0	0	126.5
1135	Q	28.1	Very low	32.3	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	78%	0.783	S	S	*	*			trans	79.8	101.3	134	-72.6	174	-24.7	0	0	123.2
1136	A	29.8	Very low	32.5	Very low	95 Å²	95	142.4 Å²	142.4	79%	0.785	79%	0.789	S	S	*	*				43.3	151.3	107.1	0	0	0	0	0	120.9
1137	P	44.6	Very low	32.8	Very low	120 Å²	120	144.4 Å²	144.4	78%	0.779	79%	0.794	S	S	*	*			cis	-140.4	-159.1	25.8	41.7	-20.5	0	0	0	116.6
1138	E	28.3	Very low	33.3	Very low	193 Å²	193	144.5 Å²	144.5	90%	0.902	80%	0.797	S	S	*	*			trans	91	142.5	172.3	-54.5	-157.2	143.5	0	0	119.1
1139	E	34.1	Very low	33.5	Very low	181 Å²	181	145.4 Å²	145.4	85%	0.846	79%	0.791	S	S	*	*			trans	-120.5	154.4	-175.7	-122.9	-173.9	171.6	0	0	107.5
1140	P	34.6	Very low	34.8	Very low	117 Å²	117	142.8 Å²	142.8	76%	0.76	78%	0.777	S	S	*	*				-153.1	160.9	67.6	40	-20.4	0	0	0	118.3
1141	A	30.7	Very low	35.7	Very low	90 Å²	90	139.9 Å²	139.9	74%	0.744	77%	0.768	S	S	*	*			trans	70.3	157.3	150.5	0	0	0	0	0	118.4
1142	P	36.6	Very low	37	Very low	129 Å²	129	136 Å²	136	84%	0.838	74%	0.736	S	S	*	*			trans	-105.4	153.5	-144.6	38.3	-35.2	0	0	0	116.1
1143	A	29.2	Very low	38.3	Very low	94 Å²	94	131 Å²	131	78%	0.777	73%	0.727	S	S	*	*			trans	-130.6	148.8	163.1	0	0	0	0	0	110.2
1144	N	34	Very low	39.5	Very low	154 Å²	154	131.7 Å²	131.7	82%	0.824	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-56.2	133.7	-168.5	-59.6	-14.9	0	0	0	114.3
1145	P	34.9	Very low	41.5	Very low	125 Å²	125	127.5 Å²	127.5	81%	0.812	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-62	143.9	150.7	-14.8	30.1	0	0	0	109.9
1146	Q	34.7	Very low	43.1	Very low	188 Å²	188	127.6 Å²	127.6	88%	0.879	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-74.8	158.3	174.6	-62.5	171.9	-94.9	0	0	110.8	E1148	Q1146-E1148 PolarHBondContact O-N 2.99Å; Q1146-E1148 VanDerWaalsContact O-N 3.12Å
1147	E	37.9	Very low	44.7	Very low	191 Å²	191	128.9 Å²	128.9	89%	0.893	70%	0.702	S	S	*	*			trans	-63	109.3	176.4	-61.5	175.3	131.1	0	0	111.2	E1149	E1147-E1149 PolarHBondContact O-N 3.47Å
1148	E	42.6	Very low	46.1	Very low	192 Å²	192	123.7 Å²	123.7	90%	0.897	67%	0.671	S	S	*	*			trans	-71.3	109	160.3	-77.2	-161.4	127.6	0	0	108.7	Q1146 D1150	Q1146-E1148 PolarHBondContact O-N 2.99Å; Q1146-E1148 VanDerWaalsContact O-N 3.12Å; E1148-D1150 PolarHBondContact O-N 3.16Å
1149	E	46.9	Very low	48.1	Very low	135 Å²	135	119.4 Å²	119.4	63%	0.631	65%	0.649	S	S	*	*			trans	-60.5	106.1	173.6	-87.8	-172.4	93.1	0	0	111.1	E1147 K1154	E1147-E1149 PolarHBondContact O-N 3.47Å; E1149-K1154 WeakPolarHBondContact OE1-CE 3.29Å; E1149-K1154 IonicContact OE1-NZ 2.91Å; E1149-K1154 PolarHBondContact OE1-NZ 2.97Å; E1149-K1154 IonicContact OE2-NZ 2.65Å; E1149-K1154 PolarHBondContact OE2-NZ 3.36Å
1150	D	54.6	Low	50.1	Low	87 Å²	87	114.9 Å²	114.9	47%	0.465	63%	0.63	S	S	.	*			trans	-54.6	123.7	179.5	-173.6	-21.5	0	0	0	110.9	E1148 A1152 N1153	E1148-D1150 PolarHBondContact O-N 3.16Å; D1150-A1152 HydrophobicContact CB-CB 4.48Å; D1150-A1152 PolarHBondContact O-N 3.44Å; D1150-A1152 VanDerWaalsContact OD1-CB 3.22Å; D1150-A1152 WeakPolarHBondContact OD1-CB 3.13Å; D1150-A1152 PolarHBondContact OD1-N 2.84Å; D1150-N1153 PolarHBondContact O-N 2.88Å
1151	P	49.3	Very low	52	Low	90 Å²	90	115.4 Å²	115.4	58%	0.584	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-58	-14	176.7	23.9	-35.2	0	0	0	114.5	N1153 K1154 S1155	P1151-N1153 PolarHBondContact O-N 3.46Å; P1151-K1154 PolarHBondContact O-N 2.99Å; P1151-S1155 PolarHBondContact O-N 3.3Å
1152	A	54.1	Low	54.3	Low	9 Å²	9	112.4 Å²	112.4	7%	0.074	60%	0.595	C	S	.	*	G	3₁₀ helix	trans	-54.6	-36.6	165.9	0	0	0	0	0	112.9	D1150 K1154 K1159 A1162	D1150-A1152 HydrophobicContact CB-CB 4.48Å; D1150-A1152 PolarHBondContact O-N 3.44Å; D1150-A1152 VanDerWaalsContact OD1-CB 3.22Å; D1150-A1152 WeakPolarHBondContact OD1-CB 3.13Å; D1150-A1152 PolarHBondContact OD1-N 2.84Å; A1152-K1154 VanDerWaalsContact C-N 3.34Å; A1152-K1154 PolarHBondContact O-N 3.45Å; A1152-K1159 WeakPolarHBondContact O-CE 3.23Å; A1152-K1159 WeakPolarHBondContact O-CG 3.36Å; A1152-A1162 HydrophobicContact CB-CB 3.94Å
1153	N	56.7	Low	56	Low	124 Å²	124	113.1 Å²	113.1	66%	0.663	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-77.2	-18.4	-176.4	-75.4	-28.9	0	0	0	114.1	D1150 P1151	D1150-N1153 PolarHBondContact O-N 2.88Å; P1151-N1153 PolarHBondContact O-N 3.46Å
1154	K	56.8	Low	58.6	Low	140 Å²	140	114 Å²	114	61%	0.609	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-10.1	-174.6	-69.6	-180	179.1	170.5	0	115.6	E1149 P1151 A1152	E1149-K1154 WeakPolarHBondContact OE1-CE 3.29Å; E1149-K1154 IonicContact OE1-NZ 2.91Å; E1149-K1154 PolarHBondContact OE1-NZ 2.97Å; E1149-K1154 IonicContact OE2-NZ 2.65Å; E1149-K1154 PolarHBondContact OE2-NZ 3.36Å; P1151-K1154 PolarHBondContact O-N 2.99Å; A1152-K1154 VanDerWaalsContact C-N 3.34Å; A1152-K1154 PolarHBondContact O-N 3.45Å
1155	S	72.7	Confident	60.9	Low	57 Å²	57	113.9 Å²	113.9	40%	0.399	57%	0.566	S	S	.	*			trans	-151.3	146.9	176.2	71.7	0	0	0	0	114	P1151 L1157 G1158 K1159	P1151-S1155 PolarHBondContact O-N 3.3Å; S1155-L1157 PolarHBondContact O-N 3.19Å; S1155-G1158 WeakPolarHBondContact O-CA 3.31Å; S1155-G1158 PolarHBondContact O-N 3.24Å; S1155-G1158 PolarHBondContact OG-N 3.11Å; S1155-K1159 PolarHBondContact O-N 2.86Å; S1155-K1159 VanDerWaalsContact O-N 3.12Å
1156	F	60.9	Low	62.8	Low	169 Å²	169	113 Å²	113	74%	0.741	55%	0.552	S	S	*	*	H	α-helix	trans	-57.6	-37.9	174.2	-176.8	-109.7	0	0	0	112.3	G1158 K1159 I1160	F1156-G1158 VanDerWaalsContact C-N 3.33Å; F1156-G1158 PolarHBondContact O-N 3.12Å; F1156-K1159 PolarHBondContact O-N 3.23Å; F1156-I1160 HydrophobicContact CD1-CD1 3.93Å; F1156-I1160 HydrophobicContact CE1-CD1 3.63Å; F1156-I1160 HydrophobicContact CZ-CD1 4.14Å; F1156-I1160 PolarHBondContact O-N 2.83Å; F1156-I1160 VanDerWaalsContact O-N 3.12Å
1157	L	64.3	Low	64.9	Low	121 Å²	121	107.7 Å²	107.7	63%	0.634	53%	0.53	S	S	*	.	H	α-helix	trans	-68.4	-31.8	176.5	-155.6	75.6	0	0	0	112.5	S1155 K1161	S1155-L1157 PolarHBondContact O-N 3.19Å; L1157-K1161 PolarHBondContact O-N 3.03Å
1158	G	73.1	Confident	67.2	Low	12 Å²	12	104 Å²	104	12%	0.124	51%	0.512	C	S	.	.	H	α-helix	trans	-63.1	-46	170.1	0	0	0	0	0	111.8	S1155 F1156 I1160 K1161 A1162	S1155-G1158 WeakPolarHBondContact O-CA 3.31Å; S1155-G1158 PolarHBondContact O-N 3.24Å; S1155-G1158 PolarHBondContact OG-N 3.11Å; F1156-G1158 VanDerWaalsContact C-N 3.33Å; F1156-G1158 PolarHBondContact O-N 3.12Å; G1158-I1160 VanDerWaalsContact C-N 3.35Å; G1158-I1160 PolarHBondContact O-N 3.45Å; G1158-K1161 PolarHBondContact O-N 3.44Å; G1158-A1162 PolarHBondContact O-N 3.01Å
1159	K	71	Confident	69.3	Low	103 Å²	103	100.7 Å²	100.7	45%	0.448	50%	0.5	S	S	.	.	H	α-helix	trans	-59.6	-43.2	176.9	-62.4	-165.9	172.7	-171.5	0	112.2	A1152 S1155 F1156 K1161 A1162 F1163	A1152-K1159 WeakPolarHBondContact O-CE 3.23Å; A1152-K1159 WeakPolarHBondContact O-CG 3.36Å; S1155-K1159 PolarHBondContact O-N 2.86Å; S1155-K1159 VanDerWaalsContact O-N 3.12Å; F1156-K1159 PolarHBondContact O-N 3.23Å; K1159-K1161 PolarHBondContact O-N 3.47Å; K1159-A1162 PolarHBondContact O-N 3.01Å; K1159-F1163 WeakPolarHBondContact O-CD2 3.45Å; K1159-F1163 PolarHBondContact O-N 3.29Å
1160	I	77.1	Confident	71	Confident	85 Å²	85	97 Å²	97	44%	0.436	49%	0.493	S	S	.	.	H	α-helix	trans	-58.9	-46.6	175.4	-67.8	168.6	0	0	0	110.8	F1156 G1158 A1162 F1163 E1164	F1156-I1160 HydrophobicContact CD1-CD1 3.93Å; F1156-I1160 HydrophobicContact CE1-CD1 3.63Å; F1156-I1160 HydrophobicContact CZ-CD1 4.14Å; F1156-I1160 PolarHBondContact O-N 2.83Å; F1156-I1160 VanDerWaalsContact O-N 3.12Å; G1158-I1160 VanDerWaalsContact C-N 3.35Å; G1158-I1160 PolarHBondContact O-N 3.45Å; I1160-A1162 VanDerWaalsContact C-N 3.32Å; I1160-A1162 PolarHBondContact O-N 3.05Å; I1160-F1163 PolarHBondContact O-N 3.34Å; I1160-E1164 WeakPolarHBondContact O-CB 3.25Å; I1160-E1164 PolarHBondContact O-N 3.2Å
1161	K	73.6	Confident	72.2	Confident	129 Å²	129	98.2 Å²	98.2	56%	0.561	49%	0.491	S	S	*	.	H	α-helix	trans	-67.1	-28.4	177.2	-75.8	-170.4	172.2	-172.5	0	114.1	L1157 G1158 K1159 K1165	L1157-K1161 PolarHBondContact O-N 3.03Å; G1158-K1161 PolarHBondContact O-N 3.44Å; K1159-K1161 PolarHBondContact O-N 3.47Å; K1161-K1165 WeakPolarHBondContact O-CB 3.37Å; K1161-K1165 WeakPolarHBondContact O-CG 3.42Å; K1161-K1165 PolarHBondContact O-N 3.03Å; K1161-K1165 VanDerWaalsContact O-N 3.08Å
1162	A	78.3	Confident	74	Confident	26 Å²	26	96.6 Å²	96.6	22%	0.215	49%	0.485	C	S	.	.	H	α-helix	trans	-68.8	-45.4	172.5	0	0	0	0	0	111.3	A1152 G1158 K1159 I1160 K1165 M1166	A1152-A1162 HydrophobicContact CB-CB 3.94Å; G1158-A1162 PolarHBondContact O-N 3.01Å; K1159-A1162 PolarHBondContact O-N 3.01Å; I1160-A1162 VanDerWaalsContact C-N 3.32Å; I1160-A1162 PolarHBondContact O-N 3.05Å; A1162-K1165 PolarHBondContact O-N 2.88Å; A1162-M1166 WeakPolarHBondContact O-CG 3.43Å; A1162-M1166 PolarHBondContact O-N 3.34Å
1163	F	72.9	Confident	75.5	Confident	144 Å²	144	103.1 Å²	103.1	63%	0.632	51%	0.514	S	S	*	.	H	α-helix	trans	-61.4	-43.5	173.2	-87.6	-76.7	0	0	0	112.6	K1159 I1160 K1165 M1166 D1167	K1159-F1163 WeakPolarHBondContact O-CD2 3.45Å; K1159-F1163 PolarHBondContact O-N 3.29Å; I1160-F1163 PolarHBondContact O-N 3.34Å; F1163-K1165 VanDerWaalsContact C-N 3.32Å; F1163-K1165 PolarHBondContact O-N 3.19Å; F1163-M1166 HydrophobicContact CD1-CE 3.74Å; F1163-M1166 HydrophobicContact CE1-CE 3.9Å; F1163-M1166 HydrophobicContact CG-CE 4.14Å; F1163-M1166 HydrophobicContact CZ-CE 4.43Å; F1163-M1166 PolarHBondContact O-N 3.05Å; F1163-D1167 WeakPolarHBondContact O-CB 3.34Å; F1163-D1167 PolarHBondContact O-N 2.97Å
1164	E	83.5	Confident	76.6	Confident	114 Å²	114	105.6 Å²	105.6	53%	0.533	51%	0.514	S	S	.	.	H	α-helix	trans	-61	-37.7	176.6	-172.9	176	-145.4	0	0	112.4	I1160 H1168	I1160-E1164 WeakPolarHBondContact O-CB 3.25Å; I1160-E1164 PolarHBondContact O-N 3.2Å; E1164-H1168 WeakPolarHBondContact O-CB 3.42Å; E1164-H1168 PolarHBondContact O-N 2.89Å
1165	K	81.9	Confident	78	Confident	151 Å²	151	104.6 Å²	104.6	66%	0.657	52%	0.515	S	S	*	.	H	α-helix	trans	-66.3	-45.1	171.5	-79.7	178.9	174.2	-174	0	112.8	K1161 A1162 F1163 H1168 L1169	K1161-K1165 WeakPolarHBondContact O-CB 3.37Å; K1161-K1165 WeakPolarHBondContact O-CG 3.42Å; K1161-K1165 PolarHBondContact O-N 3.03Å; K1161-K1165 VanDerWaalsContact O-N 3.08Å; A1162-K1165 PolarHBondContact O-N 2.88Å; F1163-K1165 VanDerWaalsContact C-N 3.32Å; F1163-K1165 PolarHBondContact O-N 3.19Å; K1165-H1168 PolarHBondContact O-N 3.26Å; K1165-L1169 WeakPolarHBondContact O-CG 3.5Å; K1165-L1169 PolarHBondContact O-N 2.9Å
1166	M	75.3	Confident	78.9	Confident	106 Å²	106	107 Å²	107	52%	0.522	52%	0.523	S	S	.	.	H	α-helix	trans	-64.1	-42.2	178.9	-71.1	-169.1	-63	0	0	111.8	A1162 F1163 H1168 L1169 A1170	A1162-M1166 WeakPolarHBondContact O-CG 3.43Å; A1162-M1166 PolarHBondContact O-N 3.34Å; F1163-M1166 HydrophobicContact CD1-CE 3.74Å; F1163-M1166 HydrophobicContact CE1-CE 3.9Å; F1163-M1166 HydrophobicContact CG-CE 4.14Å; F1163-M1166 HydrophobicContact CZ-CE 4.43Å; F1163-M1166 PolarHBondContact O-N 3.05Å; M1166-H1168 VanDerWaalsContact C-N 3.31Å; M1166-H1168 PolarHBondContact O-N 2.8Å; M1166-L1169 PolarHBondContact O-N 2.83Å; M1166-A1170 WeakPolarHBondContact O-CB 3.17Å; M1166-A1170 PolarHBondContact O-N 3.38Å
1167	D	79.4	Confident	79.9	Confident	77 Å²	77	104.9 Å²	104.9	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-61	-38	173.5	175.5	46	0	0	0	111.9	F1163 R1171	F1163-D1167 WeakPolarHBondContact O-CB 3.34Å; F1163-D1167 PolarHBondContact O-N 2.97Å; D1167-R1171 WeakPolarHBondContact O-CB 3.46Å; D1167-R1171 WeakPolarHBondContact O-CG 3.37Å; D1167-R1171 PolarHBondContact O-N 2.85Å; D1167-R1171 IonicContact OD1-CZ 2.67Å; D1167-R1171 IonicContact OD1-NH1 3.74Å; D1167-R1171 PolarHBondContact OD1-NH1 2.84Å; D1167-R1171 IonicContact OD1-NH2 2.53Å; D1167-R1171 IonicContact OD2-CZ 3.11Å; D1167-R1171 IonicContact OD2-NH1 2.65Å; D1167-R1171 PolarHBondContact OD2-NH1 3.11Å; D1167-R1171 IonicContact OD2-NH2 2.6Å; D1167-R1171 PolarHBondContact OD2-NH2 2.89Å
1168	H	86.6	Confident	80.9	Confident	113 Å²	113	104 Å²	104	52%	0.523	51%	0.51	S	S	.	.	H	α-helix	trans	-66.6	-40.7	171.1	-103.6	-79.5	0	0	0	114.2	E1164 K1165 M1166 R1171 A1172	E1164-H1168 WeakPolarHBondContact O-CB 3.42Å; E1164-H1168 PolarHBondContact O-N 2.89Å; K1165-H1168 PolarHBondContact O-N 3.26Å; M1166-H1168 VanDerWaalsContact C-N 3.31Å; M1166-H1168 PolarHBondContact O-N 2.8Å; H1168-R1171 PolarHBondContact CD2-NH2 2.84Å; H1168-R1171 VanDerWaalsContact CD2-NH2 3.26Å; H1168-R1171 PolarHBondContact NE2-NH2 3.47Å; H1168-R1171 PolarHBondContact O-N 2.83Å; H1168-A1172 WeakPolarHBondContact O-CB 3.47Å; H1168-A1172 PolarHBondContact O-N 3.49Å
1169	L	86.9	Confident	81.6	Confident	122 Å²	122	109.2 Å²	109.2	64%	0.639	53%	0.532	S	S	*	.	H	α-helix	trans	-67.4	-43.2	176.7	-72.8	170.9	0	0	0	111.5	K1165 M1166 R1171 A1172 Q1173	K1165-L1169 WeakPolarHBondContact O-CG 3.5Å; K1165-L1169 PolarHBondContact O-N 2.9Å; M1166-L1169 PolarHBondContact O-N 2.83Å; L1169-R1171 VanDerWaalsContact C-N 3.34Å; L1169-R1171 PolarHBondContact O-N 3.09Å; L1169-A1172 PolarHBondContact O-N 3.11Å; L1169-A1172 VanDerWaalsContact O-N 3.11Å; L1169-Q1173 WeakPolarHBondContact O-CB 3.42Å; L1169-Q1173 PolarHBondContact O-N 3.41Å
1170	A	81.3	Confident	82.3	Confident	58 Å²	58	110.5 Å²	110.5	48%	0.479	54%	0.539	S	S	.	.	H	α-helix	trans	-60.7	-40.9	175.2	0	0	0	0	0	112.1	M1166 R1174	M1166-A1170 WeakPolarHBondContact O-CB 3.17Å; M1166-A1170 PolarHBondContact O-N 3.38Å; A1170-R1174 WeakPolarHBondContact O-CB 3.22Å; A1170-R1174 PolarHBondContact O-N 3.44Å
1171	R	79.7	Confident	82.4	Confident	112 Å²	112	109 Å²	109	42%	0.423	54%	0.539	S	S	.	.	H	α-helix	trans	-62.8	-40.2	171.7	-81.2	-165.5	-73.6	-89.2	-0.5	113	D1167 H1168 L1169 L1175	D1167-R1171 WeakPolarHBondContact O-CB 3.46Å; D1167-R1171 WeakPolarHBondContact O-CG 3.37Å; D1167-R1171 PolarHBondContact O-N 2.85Å; D1167-R1171 IonicContact OD1-CZ 2.67Å; D1167-R1171 IonicContact OD1-NH1 3.74Å; D1167-R1171 PolarHBondContact OD1-NH1 2.84Å; D1167-R1171 IonicContact OD1-NH2 2.53Å; D1167-R1171 IonicContact OD2-CZ 3.11Å; D1167-R1171 IonicContact OD2-NH1 2.65Å; D1167-R1171 PolarHBondContact OD2-NH1 3.11Å; D1167-R1171 IonicContact OD2-NH2 2.6Å; D1167-R1171 PolarHBondContact OD2-NH2 2.89Å; H1168-R1171 PolarHBondContact CD2-NH2 2.84Å; H1168-R1171 VanDerWaalsContact CD2-NH2 3.26Å; H1168-R1171 PolarHBondContact NE2-NH2 3.47Å; H1168-R1171 PolarHBondContact O-N 2.83Å; L1169-R1171 VanDerWaalsContact C-N 3.34Å; L1169-R1171 PolarHBondContact O-N 3.09Å; R1171-L1175 PolarHBondContact O-N 3.46Å
1172	A	87.7	Confident	82.6	Confident	56 Å²	56	109 Å²	109	46%	0.463	54%	0.541	S	S	.	.	H	α-helix	trans	-69.2	-42.8	179	0	0	0	0	0	112.1	H1168 L1169 L1175 L1176	H1168-A1172 WeakPolarHBondContact O-CB 3.47Å; H1168-A1172 PolarHBondContact O-N 3.49Å; L1169-A1172 PolarHBondContact O-N 3.11Å; L1169-A1172 VanDerWaalsContact O-N 3.11Å; A1172-L1175 WeakPolarHBondContact O-CB 3.27Å; A1172-L1175 PolarHBondContact O-N 3.27Å; A1172-L1176 PolarHBondContact O-N 2.81Å; A1172-L1176 VanDerWaalsContact O-N 3.1Å
1173	Q	86.2	Confident	82.8	Confident	147 Å²	147	112.1 Å²	112.1	69%	0.687	55%	0.554	S	S	*	*	H	α-helix	trans	-62.4	-44.4	177.1	-173.9	173.1	-0.2	0	0	111.4	L1169 L1175 L1176 E1177	L1169-Q1173 WeakPolarHBondContact O-CB 3.42Å; L1169-Q1173 PolarHBondContact O-N 3.41Å; Q1173-L1175 VanDerWaalsContact C-N 3.27Å; Q1173-L1175 PolarHBondContact O-N 3.23Å; Q1173-L1176 WeakPolarHBondContact O-CB 3.48Å; Q1173-L1176 PolarHBondContact O-N 3.14Å; Q1173-L1176 VanDerWaalsContact O-N 3.08Å; Q1173-E1177 PolarHBondContact O-N 3.21Å
1174	R	79.3	Confident	83.3	Confident	175 Å²	175	107.3 Å²	107.3	66%	0.66	54%	0.541	S	S	*	.	H	α-helix	trans	-64.9	-27.7	176.1	-168.7	175.2	-175.3	172.1	4.6	113.7	A1170 L1178	A1170-R1174 WeakPolarHBondContact O-CB 3.22Å; A1170-R1174 PolarHBondContact O-N 3.44Å; R1174-L1178 WeakPolarHBondContact O-CB 3.31Å; R1174-L1178 VanDerWaalsContact O-CG 3.3Å; R1174-L1178 WeakPolarHBondContact O-CG 3.3Å; R1174-L1178 PolarHBondContact O-N 3.11Å; R1174-L1178 VanDerWaalsContact O-N 3.14Å
1175	L	87	Confident	82.7	Confident	120 Å²	120	110.3 Å²	110.3	63%	0.628	55%	0.548	S	S	*	.	H	α-helix	trans	-71.4	-37	171.5	-93.9	163.2	0	0	0	112	R1171 A1172 Q1173 Q1179	R1171-L1175 PolarHBondContact O-N 3.46Å; A1172-L1175 WeakPolarHBondContact O-CB 3.27Å; A1172-L1175 PolarHBondContact O-N 3.27Å; Q1173-L1175 VanDerWaalsContact C-N 3.27Å; Q1173-L1175 PolarHBondContact O-N 3.23Å; L1175-Q1179 PolarHBondContact O-N 3.11Å
1176	L	90.5	Very high	82.5	Confident	108 Å²	108	108.3 Å²	108.3	57%	0.565	54%	0.544	S	S	*	.	H	α-helix	trans	-68.6	-45.5	175.9	-158.4	164.1	0	0	0	110.8	A1172 Q1173 L1178 Q1179 E1180	A1172-L1176 PolarHBondContact O-N 2.81Å; A1172-L1176 VanDerWaalsContact O-N 3.1Å; Q1173-L1176 WeakPolarHBondContact O-CB 3.48Å; Q1173-L1176 PolarHBondContact O-N 3.14Å; Q1173-L1176 VanDerWaalsContact O-N 3.08Å; L1176-L1178 VanDerWaalsContact C-N 3.33Å; L1176-L1178 PolarHBondContact O-N 3.02Å; L1176-Q1179 CarbonylContact O-C 3.59Å; L1176-Q1179 WeakPolarHBondContact O-CB 3.48Å; L1176-Q1179 PolarHBondContact O-N 3.21Å; L1176-E1180 PolarHBondContact O-N 3.44Å
1177	E	82.2	Confident	82.8	Confident	123 Å²	123	108 Å²	108	58%	0.575	54%	0.541	S	S	*	.	H	α-helix	trans	-55.8	-42.9	173.1	-176.6	-171.8	-171.4	0	0	112.3	Q1173 E1180 A1181	Q1173-E1177 PolarHBondContact O-N 3.21Å; E1177-E1180 PolarHBondContact O-N 2.62Å; E1177-A1181 WeakPolarHBondContact O-CB 3.29Å; E1177-A1181 PolarHBondContact O-N 3.14Å
1178	L	85.9	Confident	82.5	Confident	103 Å²	103	108.3 Å²	108.3	54%	0.539	54%	0.542	S	S	.	.	H	α-helix	trans	-65.6	-38.7	174	-77.6	169	0	0	0	112.6	R1174 L1176 A1181 E1182	R1174-L1178 WeakPolarHBondContact O-CB 3.31Å; R1174-L1178 VanDerWaalsContact O-CG 3.3Å; R1174-L1178 WeakPolarHBondContact O-CG 3.3Å; R1174-L1178 PolarHBondContact O-N 3.11Å; R1174-L1178 VanDerWaalsContact O-N 3.14Å; L1176-L1178 VanDerWaalsContact C-N 3.33Å; L1176-L1178 PolarHBondContact O-N 3.02Å; L1178-A1181 PolarHBondContact O-N 2.88Å; L1178-E1182 PolarHBondContact O-N 3.03Å
1179	Q	87.7	Confident	81.8	Confident	122 Å²	122	104.7 Å²	104.7	57%	0.57	53%	0.532	S	S	*	.	H	α-helix	trans	-67.7	-36.6	176.1	-175	178.3	-8.4	0	0	111.8	L1175 L1176 E1182 N1183	L1175-Q1179 PolarHBondContact O-N 3.11Å; L1176-Q1179 CarbonylContact O-C 3.59Å; L1176-Q1179 WeakPolarHBondContact O-CB 3.48Å; L1176-Q1179 PolarHBondContact O-N 3.21Å; Q1179-E1182 PolarHBondContact O-N 2.88Å; Q1179-N1183 PolarHBondContact O-N 2.96Å; Q1179-N1183 PolarHBondContact O-ND2 3.27Å
1180	E	86.1	Confident	81.2	Confident	130 Å²	130	106.6 Å²	106.6	61%	0.607	54%	0.537	S	S	*	.	H	α-helix	trans	-65.8	-42.8	173.2	-173.7	166.7	-160.1	0	0	111.3	L1176 E1177 E1182 N1183 A1184	L1176-E1180 PolarHBondContact O-N 3.44Å; E1177-E1180 PolarHBondContact O-N 2.62Å; E1180-E1182 PolarHBondContact O-N 3.49Å; E1180-N1183 PolarHBondContact O-N 3.15Å; E1180-A1184 WeakPolarHBondContact O-CB 3.45Å; E1180-A1184 PolarHBondContact O-N 2.76Å
1181	A	79.3	Confident	81	Confident	53 Å²	53	110 Å²	110	44%	0.438	54%	0.541	S	S	.	.	H	α-helix	trans	-64.1	-34.6	174.1	0	0	0	0	0	113.4	E1177 L1178 R1185	E1177-A1181 WeakPolarHBondContact O-CB 3.29Å; E1177-A1181 PolarHBondContact O-N 3.14Å; L1178-A1181 PolarHBondContact O-N 2.88Å; A1181-R1185 WeakPolarHBondContact O-CG 3.48Å; A1181-R1185 PolarHBondContact O-N 2.66Å; A1181-R1185 VanDerWaalsContact O-N 3.11Å
1182	E	76.1	Confident	80.4	Confident	129 Å²	129	109.3 Å²	109.3	60%	0.603	54%	0.543	S	S	*	.	H	α-helix	trans	-69.3	-40.9	171.3	-73.2	-160.9	146.2	0	0	112.2	L1178 Q1179 E1180 R1185 L1186	L1178-E1182 PolarHBondContact O-N 3.03Å; Q1179-E1182 PolarHBondContact O-N 2.88Å; E1180-E1182 PolarHBondContact O-N 3.49Å; E1182-R1185 PolarHBondContact O-N 2.87Å; E1182-L1186 WeakPolarHBondContact O-CG 3.39Å; E1182-L1186 PolarHBondContact O-N 2.73Å
1183	N	84.3	Confident	79	Confident	91 Å²	91	110.3 Å²	110.3	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-61.7	-45.5	174	-74.3	-22.9	0	0	0	111.9	Q1179 E1180 R1185 L1186 E1187	Q1179-N1183 PolarHBondContact O-N 2.96Å; Q1179-N1183 PolarHBondContact O-ND2 3.27Å; E1180-N1183 PolarHBondContact O-N 3.15Å; N1183-R1185 VanDerWaalsContact C-N 3.31Å; N1183-R1185 PolarHBondContact O-N 2.92Å; N1183-L1186 WeakPolarHBondContact O-CB 3.38Å; N1183-L1186 PolarHBondContact O-N 3.13Å; N1183-L1186 VanDerWaalsContact O-N 3.07Å; N1183-E1187 PolarHBondContact O-N 3.05Å
1184	A	82.1	Confident	77.7	Confident	43 Å²	43	110.7 Å²	110.7	36%	0.355	55%	0.551	S	S	.	*	H	α-helix	trans	-60.1	-39.8	176	0	0	0	0	0	111.9	E1180 L1186 E1187 I1188	E1180-A1184 WeakPolarHBondContact O-CB 3.45Å; E1180-A1184 PolarHBondContact O-N 2.76Å; A1184-L1186 PolarHBondContact O-N 2.88Å; A1184-E1187 PolarHBondContact O-N 2.72Å; A1184-I1188 WeakPolarHBondContact O-CB 3.41Å; A1184-I1188 WeakPolarHBondContact O-CD1 3.42Å; A1184-I1188 VanDerWaalsContact O-CG1 3.25Å; A1184-I1188 WeakPolarHBondContact O-CG1 3.3Å; A1184-I1188 PolarHBondContact O-N 2.87Å
1185	R	71.3	Confident	76.6	Confident	178 Å²	178	108.4 Å²	108.4	67%	0.672	55%	0.55	S	S	*	*	H	α-helix	trans	-63.6	-37.3	172.5	-80.4	-176.2	64.8	-163	-3	113.2	A1181 E1182 N1183 A1189	A1181-R1185 WeakPolarHBondContact O-CG 3.48Å; A1181-R1185 PolarHBondContact O-N 2.66Å; A1181-R1185 VanDerWaalsContact O-N 3.11Å; E1182-R1185 PolarHBondContact O-N 2.87Å; N1183-R1185 VanDerWaalsContact C-N 3.31Å; N1183-R1185 PolarHBondContact O-N 2.92Å; R1185-A1189 VanDerWaalsContact O-CB 3.28Å; R1185-A1189 WeakPolarHBondContact O-CB 3.38Å; R1185-A1189 PolarHBondContact O-N 2.82Å
1186	L	78.4	Confident	74.9	Confident	109 Å²	109	109 Å²	109	57%	0.571	55%	0.546	S	S	*	.	H	α-helix	trans	-67.9	-39.7	175.2	-71.2	169.9	0	0	0	111.5	E1182 N1183 A1184 A1189 Q1190	E1182-L1186 WeakPolarHBondContact O-CG 3.39Å; E1182-L1186 PolarHBondContact O-N 2.73Å; N1183-L1186 WeakPolarHBondContact O-CB 3.38Å; N1183-L1186 PolarHBondContact O-N 3.13Å; N1183-L1186 VanDerWaalsContact O-N 3.07Å; A1184-L1186 PolarHBondContact O-N 2.88Å; L1186-A1189 PolarHBondContact O-N 2.81Å; L1186-Q1190 WeakPolarHBondContact O-CG 3.37Å; L1186-Q1190 PolarHBondContact O-N 3.43Å
1187	E	80.9	Confident	72.4	Confident	100 Å²	100	108.3 Å²	108.3	47%	0.467	56%	0.555	S	S	.	*	H	α-helix	trans	-67.2	-43.9	177.1	-163.5	-174	150.1	0	0	112.1	N1183 A1184 A1189 Q1190 K1191	N1183-E1187 PolarHBondContact O-N 3.05Å; A1184-E1187 PolarHBondContact O-N 2.72Å; E1187-A1189 VanDerWaalsContact C-N 3.32Å; E1187-A1189 PolarHBondContact O-N 3.26Å; E1187-Q1190 PolarHBondContact O-N 2.93Å; E1187-K1191 HydrophobicContact CG-CD 4.27Å; E1187-K1191 WeakPolarHBondContact O-CB 3.4Å; E1187-K1191 WeakPolarHBondContact O-CG 3.45Å; E1187-K1191 PolarHBondContact O-N 2.72Å; E1187-K1191 VanDerWaalsContact OE1-CE 3.26Å; E1187-K1191 WeakPolarHBondContact OE1-CE 3.03Å; E1187-K1191 IonicContact OE1-NZ 2.86Å; E1187-K1191 PolarHBondContact OE1-NZ 3.27Å
1188	I	73.5	Confident	70.5	Confident	82 Å²	82	107.4 Å²	107.4	42%	0.421	56%	0.558	S	S	.	*	H	α-helix	trans	-61.2	-41.3	174	-68.6	164.3	0	0	0	110.8	A1184 Q1190 K1191 H1192 Y1196	A1184-I1188 WeakPolarHBondContact O-CB 3.41Å; A1184-I1188 WeakPolarHBondContact O-CD1 3.42Å; A1184-I1188 VanDerWaalsContact O-CG1 3.25Å; A1184-I1188 WeakPolarHBondContact O-CG1 3.3Å; A1184-I1188 PolarHBondContact O-N 2.87Å; I1188-Q1190 VanDerWaalsContact C-N 3.34Å; I1188-Q1190 PolarHBondContact O-N 2.88Å; I1188-K1191 PolarHBondContact O-N 2.89Å; I1188-H1192 PolarHBondContact O-N 3.05Å; I1188-Y1196 HydrophobicContact CG2-CD2 4.34Å; I1188-Y1196 HydrophobicContact CG2-CE2 3.93Å
1189	A	71.4	Confident	68.2	Low	38 Å²	38	107.7 Å²	107.7	31%	0.314	57%	0.566	S	S	.	*	H	α-helix	trans	-67.6	-30.5	176.4	0	0	0	0	0	113.3	R1185 L1186 E1187	R1185-A1189 VanDerWaalsContact O-CB 3.28Å; R1185-A1189 WeakPolarHBondContact O-CB 3.38Å; R1185-A1189 PolarHBondContact O-N 2.82Å; L1186-A1189 PolarHBondContact O-N 2.81Å; E1187-A1189 VanDerWaalsContact C-N 3.32Å; E1187-A1189 PolarHBondContact O-N 3.26Å
1190	Q	74.3	Confident	65.7	Low	162 Å²	162	108.4 Å²	108.4	76%	0.757	58%	0.578	S	S	*	*	H	α-helix	trans	-74.1	-36.2	171.1	-75.5	-174.5	6.1	0	0	112.7	L1186 E1187 I1188	L1186-Q1190 WeakPolarHBondContact O-CG 3.37Å; L1186-Q1190 PolarHBondContact O-N 3.43Å; E1187-Q1190 PolarHBondContact O-N 2.93Å; I1188-Q1190 VanDerWaalsContact C-N 3.34Å; I1188-Q1190 PolarHBondContact O-N 2.88Å
1191	K	76.4	Confident	63.4	Low	130 Å²	130	111.5 Å²	111.5	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-73.8	-30.2	178.7	-75.9	172.2	168.7	173.4	0	113.3	E1187 I1188	E1187-K1191 HydrophobicContact CG-CD 4.27Å; E1187-K1191 WeakPolarHBondContact O-CB 3.4Å; E1187-K1191 WeakPolarHBondContact O-CG 3.45Å; E1187-K1191 PolarHBondContact O-N 2.72Å; E1187-K1191 VanDerWaalsContact OE1-CE 3.26Å; E1187-K1191 WeakPolarHBondContact OE1-CE 3.03Å; E1187-K1191 IonicContact OE1-NZ 2.86Å; E1187-K1191 PolarHBondContact OE1-NZ 3.27Å; I1188-K1191 PolarHBondContact O-N 2.89Å
1192	H	68.6	Low	61.3	Low	97 Å²	97	116.3 Å²	116.3	45%	0.449	61%	0.607	S	S	.	*			trans	-131.6	63.2	-176.4	-56.9	-68	0	0	0	112.9	I1188 D1194 I1195 Y1196	I1188-H1192 PolarHBondContact O-N 3.05Å; H1192-D1194 VanDerWaalsContact C-N 3.26Å; H1192-D1194 PolarHBondContact O-N 3.45Å; H1192-I1195 HydrophobicContact CB-CB 4.46Å; H1192-I1195 HydrophobicContact CB-CD1 4.42Å; H1192-I1195 PolarHBondContact O-N 3.08Å; H1192-Y1196 PolarHBondContact O-N 3.31Å
1193	P	58.7	Low	59.3	Low	77 Å²	77	116.1 Å²	116.1	50%	0.5	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.8	-33.3	-175.9	26.2	-35.2	0	0	0	113	I1195 Y1196	P1193-I1195 PolarHBondContact O-N 3.44Å; P1193-Y1196 PolarHBondContact O-N 2.81Å
1194	D	57.6	Low	56.8	Low	155 Å²	155	121.2 Å²	121.2	83%	0.829	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-13.9	-176	-53.2	-39.1	0	0	0	113.5	H1192	H1192-D1194 VanDerWaalsContact C-N 3.26Å; H1192-D1194 PolarHBondContact O-N 3.45Å
1195	I	56.6	Low	54.5	Low	126 Å²	126	125 Å²	125	65%	0.646	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-27.8	-178.9	-57.3	178.9	0	0	0	111.2	H1192 P1193	H1192-I1195 HydrophobicContact CB-CB 4.46Å; H1192-I1195 HydrophobicContact CB-CD1 4.42Å; H1192-I1195 PolarHBondContact O-N 3.08Å; P1193-I1195 PolarHBondContact O-N 3.44Å
1196	Y	50.4	Low	52.7	Low	134 Å²	134	124.5 Å²	124.5	53%	0.525	67%	0.666	S	S	.	*			trans	-115.4	55.7	-174.4	-73	-73.7	0	0	0	114	I1188 H1192 P1193 V1198	I1188-Y1196 HydrophobicContact CG2-CD2 4.34Å; I1188-Y1196 HydrophobicContact CG2-CE2 3.93Å; H1192-Y1196 PolarHBondContact O-N 3.31Å; P1193-Y1196 PolarHBondContact O-N 2.81Å; Y1196-V1198 VanDerWaalsContact C-N 3.3Å; Y1196-V1198 PolarHBondContact O-N 2.85Å
1197	A	39.3	Very low	50.4	Low	92 Å²	92	127.6 Å²	127.6	76%	0.76	68%	0.678	S	S	*	*			trans	-69.1	77.3	172.4	0	0	0	0	0	112.8	P1199	A1197-P1199 WeakPolarHBondContact O-CD 3.16Å
1198	V	41.1	Very low	47.8	Very low	105 Å²	105	130.7 Å²	130.7	64%	0.636	70%	0.698	S	S	*	*			trans	-75.9	123.6	178.1	-179.2	0	0	0	0	110.9	Y1196 V1200	Y1196-V1198 VanDerWaalsContact C-N 3.3Å; Y1196-V1198 PolarHBondContact O-N 2.85Å; V1198-V1200 PolarHBondContact O-N 3.23Å; V1198-V1200 VanDerWaalsContact O-N 3.15Å
1199	P	37.4	Very low	45.7	Very low	109 Å²	109	137.7 Å²	137.7	71%	0.708	72%	0.719	S	S	*	*			trans	-67.2	112.3	-179.5	-22.8	34.7	0	0	0	113.3	A1197 K1201	A1197-P1199 WeakPolarHBondContact O-CD 3.16Å; P1199-K1201 PolarHBondContact O-N 3.29Å; P1199-K1201 VanDerWaalsContact O-N 3.1Å
1200	V	37.1	Very low	44.2	Very low	137 Å²	137	141.1 Å²	141.1	83%	0.83	74%	0.738	S	S	*	*			trans	-67.6	106.4	177.8	-179.2	0	0	0	0	110.6	V1198	V1198-V1200 PolarHBondContact O-N 3.23Å; V1198-V1200 VanDerWaalsContact O-N 3.15Å
1201	K	35.8	Very low	42.1	Very low	194 Å²	194	141.8 Å²	141.8	84%	0.843	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-90.7	117.7	168.5	-74.2	-179	178.6	173.8	0	109.9	P1199	P1199-K1201 PolarHBondContact O-N 3.29Å; P1199-K1201 VanDerWaalsContact O-N 3.1Å
1202	L	36	Very low	40.1	Very low	154 Å²	154	140.2 Å²	140.2	81%	0.806	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-61.1	144.8	176.1	-74.6	160.4	0	0	0	111.8
1203	P	34.4	Very low	38.2	Very low	125 Å²	125	143.9 Å²	143.9	81%	0.812	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-67.1	140.5	179	-16.4	30	0	0	0	112.1
1204	K	31.9	Very low	36.6	Very low	198 Å²	198	143.6 Å²	143.6	86%	0.861	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-103.2	146.3	160.5	-74.3	-170.6	175.8	-175.2	0	109.4
1205	P	33.2	Very low	35.1	Very low	122 Å²	122	141.2 Å²	141.2	79%	0.792	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-74.8	145.7	-161.7	28.5	-36.1	0	0	0	113.9	Q1207	P1205-Q1207 PolarHBondContact O-N 3.33Å
1206	N	33.2	Very low	33.6	Very low	168 Å²	168	143 Å²	143	90%	0.898	78%	0.783	S	S	*	*			trans	-72.4	114.7	172.3	-84.5	-37.2	0	0	0	111.5
1207	Q	30.1	Very low	32.4	Very low	175 Å²	175	141.1 Å²	141.1	82%	0.818	79%	0.794	S	S	*	*			trans	-140	102.6	158.1	-72.2	-168.7	-7.8	0	0	110.6	P1205	P1205-Q1207 PolarHBondContact O-N 3.33Å
1208	N	27.2	Very low	31.9	Very low	165 Å²	165	145.4 Å²	145.4	88%	0.882	80%	0.799	S	S	*	*				-169.8	106.6	122.9	-97.5	-24.3	0	0	0	112.2
1209	R	29.7	Very low	32.4	Very low	228 Å²	228	144.8 Å²	144.8	86%	0.86	80%	0.797	S	S	*	*			trans	-89.7	138.1	156.3	-177.8	-176.8	-174.7	-174.3	2.9	106.9
1210	P	39.4	Very low	31.9	Very low	110 Å²	110	147.6 Å²	147.6	71%	0.714	80%	0.801	S	S	*	*			trans	-74.3	143.9	-173.6	29.6	-36	0	0	0	112.8
1211	Q	29.2	Very low	31.5	Very low	176 Å²	176	146 Å²	146	82%	0.822	79%	0.791	S	S	*	*			trans	-149.2	164.8	161.8	-78.2	-52	-62.5	0	0	109.9
1212	P	35.9	Very low	30.9	Very low	98 Å²	98	145.4 Å²	145.4	64%	0.636	79%	0.794	S	S	*	*			trans	-120.2	171.2	-151.3	42.9	-33.5	0	0	0	116.9
1213	I	26.9	Very low	30.3	Very low	174 Å²	174	143.2 Å²	143.2	89%	0.892	79%	0.791	S	S	*	*			trans	44.4	112	149	-59.8	159.2	0	0	0	117.9
1214	G	26.3	Very low	29.8	Very low	70 Å²	70	148.2 Å²	148.2	72%	0.722	79%	0.794	S	S	*	*			trans	-179	74.9	171.4	0	0	0	0	0	118.5
1215	S	26.7	Very low	29.9	Very low	105 Å²	105	144.3 Å²	144.3	73%	0.734	79%	0.789	S	S	*	*			trans	21.8	117.1	149.8	57.8	0	0	0	0	124
1216	N	23.4	Very low	29.6	Very low	165 Å²	165	142.5 Å²	142.5	88%	0.882	78%	0.784	S	S	*	*				66.2	148.9	125.5	-66.5	2.8	0	0	0	125.8
1217	A	26.3	Very low	29.3	Very low	93 Å²	93	145.1 Å²	145.1	77%	0.769	78%	0.783	S	S	*	*			trans	94.1	86.7	147.6	0	0	0	0	0	121.7
1218	E	28.6	Very low	29.2	Very low	182 Å²	182	141.4 Å²	141.4	85%	0.85	78%	0.777	S	S	*	*				19.6	162.7	104.9	-74.4	-161.1	126	0	0	122.2
1219	P	51.7	Low	29.2	Very low	93 Å²	93	142.3 Å²	142.3	60%	0.604	78%	0.775	S	S	*	*			cis	-144.5	-148.4	-43	40.9	-19.8	0	0	0	112.5
1220	Q	27.8	Very low	29.1	Very low	167 Å²	167	137 Å²	137	78%	0.78	77%	0.769	S	S	*	*			trans	84.8	148	164.6	-50.3	-158.7	6.1	0	0	119.1
1221	T	27.1	Very low	28.5	Very low	104 Å²	104	143.7 Å²	143.7	64%	0.638	78%	0.78	S	S	*	*			cis	-164.1	143.9	-16.3	23.9	0	0	0	0	112.5
1222	M	23.4	Very low	28.3	Very low	182 Å²	182	138.8 Å²	138.8	90%	0.897	78%	0.776	S	S	*	*			trans	63.7	164.3	147.8	-60.7	175.4	77.1	0	0	118.8
1223	S	24.2	Very low	28	Very low	108 Å²	108	140.9 Å²	140.9	76%	0.755	78%	0.782	S	S	*	*			cis	-144.2	169.1	4.3	62.8	0	0	0	0	114.5
1224	R	23.9	Very low	28.1	Very low	229 Å²	229	141 Å²	141	86%	0.864	78%	0.779	S	S	*	*			trans	-68.7	179.4	162.9	-111.4	-180	159.6	-168.1	-5.7	111.6
1225	P	34.5	Very low	28.6	Very low	116 Å²	116	142.6 Å²	142.6	75%	0.753	77%	0.771	S	S	*	*			cis	-145.9	164.3	23.6	42.8	-22.2	0	0	0	120.8
1226	A	25.8	Very low	29.4	Very low	84 Å²	84	142.8 Å²	142.8	69%	0.694	77%	0.768	S	S	*	*			trans	33.4	132.3	137	0	0	0	0	0	127
1227	Y	26.1	Very low	30.1	Very low	224 Å²	224	140.6 Å²	140.6	88%	0.878	75%	0.752	S	S	*	*			trans	95.6	152.4	131.9	-110.2	-95.2	0	0	0	124.1
1228	S	28.5	Very low	31	Very low	97 Å²	97	138.8 Å²	138.8	68%	0.678	74%	0.737	S	S	*	*			trans	65.8	96.7	166.6	46.1	0	0	0	0	122
1229	E	28.1	Very low	31.7	Very low	183 Å²	183	136.1 Å²	136.1	86%	0.855	73%	0.725	S	S	*	*				55.8	151.2	123.8	-64	-165.2	122.8	0	0	125.8
1230	T	28.2	Very low	31.5	Very low	118 Å²	118	139.2 Å²	139.2	72%	0.724	73%	0.726	S	S	*	*			trans	87.9	114.3	151.1	17.3	0	0	0	0	122.5
1231	R	25.2	Very low	32.6	Very low	249 Å²	249	138.8 Å²	138.8	94%	0.94	72%	0.717	S	S	*	*			trans	59.1	127.6	141.2	-76.8	171.3	174.8	178.8	-1.7	120.6
1232	G	25.5	Very low	33.7	Very low	73 Å²	73	142.3 Å²	142.3	75%	0.753	72%	0.719	S	S	*	*			trans	161.3	122.6	153.9	0	0	0	0	0	113.7
1233	N	29.2	Very low	34.7	Very low	142 Å²	142	139.3 Å²	139.3	76%	0.759	70%	0.702	S	S	*	*			trans	-48.7	161.2	-178.5	-46.5	-6.4	0	0	0	116.1
1234	E	30.3	Very low	35.6	Very low	176 Å²	176	138.8 Å²	138.8	82%	0.822	69%	0.691	S	S	*	*				-159.1	132.7	108.3	-108.9	174.7	-158.5	0	0	111.6	T1236	E1234-T1236 PolarHBondContact O-N 3.03Å
1235	D	37.1	Very low	36.5	Very low	105 Å²	105	130.3 Å²	130.3	56%	0.561	67%	0.669	S	S	*	*			trans	-87.3	7.4	-161	-70.2	-86.7	0	0	0	115.9	E1237 A1238 E1239	D1235-E1237 PolarHBondContact O-N 3.16Å; D1235-A1238 WeakPolarHBondContact O-CB 3.27Å; D1235-A1238 PolarHBondContact O-N 3.45Å; D1235-A1238 VanDerWaalsContact O-N 3.13Å; D1235-E1239 PolarHBondContact O-N 2.85Å
1236	T	41.8	Very low	36.7	Very low	108 Å²	108	129.8 Å²	129.8	66%	0.663	66%	0.66	S	S	*	*	H	α-helix	trans	-64.6	-35.6	-164.8	51.8	0	0	0	0	114.9	E1234	E1234-T1236 PolarHBondContact O-N 3.03Å
1237	E	39.1	Very low	37.3	Very low	120 Å²	120	133.5 Å²	133.5	56%	0.561	66%	0.663	S	S	*	*	H	α-helix	trans	-83	-13	178.8	-144.7	-174.2	127.4	0	0	113.4	D1235 R1241	D1235-E1237 PolarHBondContact O-N 3.16Å; E1237-R1241 IonicContact OE1-CZ 2.68Å; E1237-R1241 IonicContact OE1-NH1 2.71Å; E1237-R1241 PolarHBondContact OE1-NH1 3Å; E1237-R1241 IonicContact OE1-NH2 2.71Å; E1237-R1241 PolarHBondContact OE1-NH2 3.1Å
1238	A	45.3	Very low	37.9	Very low	55 Å²	55	128.5 Å²	128.5	46%	0.455	66%	0.656	S	S	.	*	H	α-helix	trans	-82.6	-40	178.2	0	0	0	0	0	111.9	D1235 R1242	D1235-A1238 WeakPolarHBondContact O-CB 3.27Å; D1235-A1238 PolarHBondContact O-N 3.45Å; D1235-A1238 VanDerWaalsContact O-N 3.13Å; A1238-R1242 PolarHBondContact O-N 2.89Å; A1238-R1242 VanDerWaalsContact O-N 3.1Å
1239	E	44.1	Very low	38.2	Very low	126 Å²	126	134.3 Å²	134.3	59%	0.589	66%	0.663	S	S	*	*	H	α-helix	trans	-66.7	-40.4	174.7	-71	-158.8	124.9	0	0	112.2	D1235 R1241 R1242 Q1243	D1235-E1239 PolarHBondContact O-N 2.85Å; E1239-R1241 VanDerWaalsContact C-N 3.34Å; E1239-R1241 PolarHBondContact O-N 3.48Å; E1239-R1242 WeakPolarHBondContact O-CA 3.45Å; E1239-R1242 WeakPolarHBondContact O-CB 3.39Å; E1239-R1242 PolarHBondContact O-N 3.44Å; E1239-Q1243 WeakPolarHBondContact O-CG 3.28Å; E1239-Q1243 PolarHBondContact O-N 2.8Å
1240	Y	46.1	Very low	38.4	Very low	158 Å²	158	137.1 Å²	137.1	62%	0.62	67%	0.666	S	S	*	*	H	α-helix	trans	-61.3	-40.6	178	-169.6	-106.1	0	0	0	112.4	Q1243 L1244	Y1240-Q1243 PolarHBondContact O-N 2.81Å; Y1240-L1244 HydrophobicContact CD1-CD1 4.34Å; Y1240-L1244 HydrophobicContact CE1-CD1 3.95Å; Y1240-L1244 PolarHBondContact O-N 3.48Å
1241	R	50.5	Low	38.3	Very low	157 Å²	157	134.5 Å²	134.5	59%	0.592	66%	0.663	S	S	*	*	H	α-helix	trans	-69.8	-28.3	173.1	-73.1	-163.9	-178.7	83.7	4.2	113.5	E1237 E1239 A1245	E1237-R1241 IonicContact OE1-CZ 2.68Å; E1237-R1241 IonicContact OE1-NH1 2.71Å; E1237-R1241 PolarHBondContact OE1-NH1 3Å; E1237-R1241 IonicContact OE1-NH2 2.71Å; E1237-R1241 PolarHBondContact OE1-NH2 3.1Å; E1239-R1241 VanDerWaalsContact C-N 3.34Å; E1239-R1241 PolarHBondContact O-N 3.48Å; R1241-A1245 PolarHBondContact O-N 3.16Å
1242	R	51.7	Low	38.4	Very low	179 Å²	179	132.6 Å²	132.6	68%	0.675	66%	0.657	S	S	*	*	H	α-helix	trans	-70.8	-43.8	171.7	-80.7	179.4	168.5	-116.9	3.5	112.3	A1238 E1239 L1244 A1245 D1246	A1238-R1242 PolarHBondContact O-N 2.89Å; A1238-R1242 VanDerWaalsContact O-N 3.1Å; E1239-R1242 WeakPolarHBondContact O-CA 3.45Å; E1239-R1242 WeakPolarHBondContact O-CB 3.39Å; E1239-R1242 PolarHBondContact O-N 3.44Å; R1242-L1244 VanDerWaalsContact C-N 3.29Å; R1242-L1244 PolarHBondContact O-N 2.78Å; R1242-A1245 CarbonylContact O-C 3.58Å; R1242-A1245 WeakPolarHBondContact O-CA 3.43Å; R1242-A1245 WeakPolarHBondContact O-CB 3.39Å; R1242-A1245 PolarHBondContact O-N 2.89Å; R1242-D1246 PolarHBondContact O-N 2.95Å
1243	Q	43.8	Very low	38.5	Very low	118 Å²	118	138.5 Å²	138.5	55%	0.551	66%	0.658	S	S	*	*	H	α-helix	trans	-59.9	-38.3	179.6	-70.2	177.7	17.1	0	0	112.4	E1239 Y1240 Q1247	E1239-Q1243 WeakPolarHBondContact O-CG 3.28Å; E1239-Q1243 PolarHBondContact O-N 2.8Å; Y1240-Q1243 PolarHBondContact O-N 2.81Å; Q1243-Q1247 WeakPolarHBondContact O-CG 3.43Å; Q1243-Q1247 PolarHBondContact O-N 2.86Å; Q1243-Q1247 VanDerWaalsContact O-N 3.13Å
1244	L	43.2	Very low	38.3	Very low	98 Å²	98	138.5 Å²	138.5	51%	0.513	66%	0.658	S	S	.	*	H	α-helix	trans	-67.2	-32.2	171.8	-83	162.1	0	0	0	113.6	Y1240 R1242	Y1240-L1244 HydrophobicContact CD1-CD1 4.34Å; Y1240-L1244 HydrophobicContact CE1-CD1 3.95Å; Y1240-L1244 PolarHBondContact O-N 3.48Å; R1242-L1244 VanDerWaalsContact C-N 3.29Å; R1242-L1244 PolarHBondContact O-N 2.78Å
1245	A	42.4	Very low	38.5	Very low	50 Å²	50	134.6 Å²	134.6	41%	0.413	65%	0.648	S	S	.	*	H	α-helix	trans	-75.9	-34.6	176.3	0	0	0	0	0	112.8	R1241 R1242 T1248	R1241-A1245 PolarHBondContact O-N 3.16Å; R1242-A1245 CarbonylContact O-C 3.58Å; R1242-A1245 WeakPolarHBondContact O-CA 3.43Å; R1242-A1245 WeakPolarHBondContact O-CB 3.39Å; R1242-A1245 PolarHBondContact O-N 2.89Å; A1245-T1248 PolarHBondContact O-OG1 3.16Å; A1245-T1248 VanDerWaalsContact O-OG1 3.11Å
1246	D	38.3	Very low	38	Very low	105 Å²	105	137.3 Å²	137.3	56%	0.561	66%	0.657	S	S	*	*	H	α-helix	trans	-79.1	-29.4	-179.8	-73.2	-37.1	0	0	0	112.8	R1242 T1248 R1249	R1242-D1246 PolarHBondContact O-N 2.95Å; D1246-T1248 PolarHBondContact O-N 2.76Å; D1246-R1249 PolarHBondContact O-N 3.06Å
1247	Q	38	Very low	37.4	Very low	162 Å²	162	140.6 Å²	140.6	76%	0.757	66%	0.662	S	S	*	*	H	α-helix	trans	-61	-27.5	172	-81.5	-171.6	8.3	0	0	113.4	Q1243	Q1243-Q1247 WeakPolarHBondContact O-CG 3.43Å; Q1243-Q1247 PolarHBondContact O-N 2.86Å; Q1243-Q1247 VanDerWaalsContact O-N 3.13Å
1248	T	39.8	Very low	36.9	Very low	120 Å²	120	144.7 Å²	144.7	74%	0.736	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	7.9	179.4	50	0	0	0	0	113.9	A1245 D1246	A1245-T1248 PolarHBondContact O-OG1 3.16Å; A1245-T1248 VanDerWaalsContact O-OG1 3.11Å; D1246-T1248 PolarHBondContact O-N 2.76Å
1249	R	34.7	Very low	36.1	Very low	219 Å²	219	149 Å²	149	83%	0.826	68%	0.683	S	S	*	*	S	Bend	trans	-122.4	17	-174.1	-95	-175.3	168.9	-166.1	-3.1	116.8	D1246	D1246-R1249 PolarHBondContact O-N 3.06Å
1250	R	31.3	Very low	35.3	Very low	241 Å²	241	148.4 Å²	148.4	91%	0.909	68%	0.683	S	S	*	*			trans	-118.7	101.1	164.9	-71	-169.2	179.5	-154.9	1.8	112
1251	G	27	Very low	34.4	Very low	64 Å²	64	148 Å²	148	66%	0.66	70%	0.698	S	S	*	*			trans	-94	153	154.6	0	0	0	0	0	110.5
1252	Y	27.9	Very low	33.2	Very low	209 Å²	209	149.9 Å²	149.9	82%	0.82	71%	0.713	S	S	*	*				178	140.2	121.2	-98.3	-60.7	0	0	0	113.8
1253	Y	26.5	Very low	32	Very low	197 Å²	197	153.2 Å²	153.2	77%	0.773	74%	0.743	S	S	*	*			trans	59.1	100.3	159.5	-71.4	-69.5	0	0	0	122.2
1254	N	25.5	Very low	31.4	Very low	142 Å²	142	155 Å²	155	76%	0.759	75%	0.753	S	S	*	*				32.2	151.4	93.4	-129	8.5	0	0	0	118.4
1255	P	34.4	Very low	30.8	Very low	93 Å²	93	158 Å²	158	60%	0.604	77%	0.765	S	S	*	*			cis	-140.5	-166.7	6.1	31	-5	0	0	0	116.3
1256	Q	27.3	Very low	30.2	Very low	163 Å²	163	164 Å²	164	76%	0.762	79%	0.785	S	S	*	*			trans	85.9	101.3	158.9	-51	175.6	3.6	0	0	119.8
1257	K	29.5	Very low	29.7	Very low	177 Å²	177	167.5 Å²	167.5	77%	0.77	80%	0.798	S	S	*	*				166.9	127.5	105.5	-98.4	173.6	-176.8	174.5	0	114
1258	Y	27.6	Very low	29.2	Very low	205 Å²	205	167.8 Å²	167.8	80%	0.804	80%	0.8	S	S	*	*			trans	52.9	159.6	169.8	-64.5	-91.8	0	0	0	117.5
1259	K	28.1	Very low	28.5	Very low	147 Å²	147	171 Å²	171	64%	0.639	81%	0.805	S	S	*	*			cis	164.8	152.1	-39.9	-119.5	-178.7	142.4	-78.6	0	106.2
1260	D	27.4	Very low	28	Very low	112 Å²	112	167.6 Å²	167.6	60%	0.599	80%	0.803	S	S	*	*			trans	61.7	90.2	152.9	-47.7	-20.8	0	0	0	117.9
1261	T	28.2	Very low	27.8	Very low	151 Å²	151	161.9 Å²	161.9	93%	0.926	80%	0.795	S	S	*	*				-173.7	155.6	111.4	22.6	0	0	0	0	111.6
1262	E	25.7	Very low	27.8	Very low	195 Å²	195	170.1 Å²	170.1	91%	0.911	81%	0.806	S	S	*	*			trans	-117.6	150.3	-173.6	-62.5	171.4	137.4	0	0	111
1263	L	25.9	Very low	27.8	Very low	250 Å²	250	166.5 Å²	166.5	100%	1.309	81%	0.805	S	S	*	*			trans	-151.8	0	156.7	-110.4	174.5	0	0	0	108.6

Retrieved 1,263 of 1,263 residues in 863.3 ms (Link to these results)

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