A0A075BLT4_DROME Loading...

Piwi

AlphaFold DB , UniProt , Accession A0A075BLT4, Species DROME (Drosophila melanogaster, Fruit fly), Gene piwi, Length 843 aa.

						>A0A075BLT4_DROME|A0A075BLT4|piwi
MADDQGRGRRRPLNEDDSSTSRGSGDGPRVKVFRGSSSGDPRADPRIEASRERRALEEAPRREGGPTERKPWGDQYDYLNTRPVELVSKKGTDGVPVMLQTNFFRLKTKPEWRIVHYHVEFVPTIENPRVRMGVLSNHANLLGSGYLFDGLQLFTTRKFEQEITVLSGKSKLDIEYKISIKFVGFISCAEPRFLQVLNLILRRSMKGLNLELVGRNLFDPRAKIEIREFKMELWPGYETSIRQHEKDILLGTEITHKVMRTETIYDIMRRCSHNPARHQDEVRVNVLDLIVLTDYNNRTYRINDVDFGQTPKSTFSCKGRDISFVEYYLTKYNIRIRDHNQPLLISKNRDKALKTNASELVVLIPELCRVTGLNAEMRSNFQLMRAMSSYTRMNPKQRTDRLRAFNHRLQNTPESVKVLRDWNMELDKNVTEVQGRIIGQQNIVFHNGKVPAGENADWQRHFRDQRMLTTPSDGLDRWAVIAPQRNSHELRTLLDSLYRAASGMGLRIRSPQEFIIYDDRTGTYVRAMDDCVRSDPKLILCLVPNDNAERYSSIKKRGYVDRAVPTQVVTLKTTKNRSLMSIATKIAIQLNCKLGYTPWMIELPLSGLMTIGFDIAKSTRDRKRAYGALIASMDLQQNSTYFSTVTECSAFDVLANTLWPMIAKALRQYQHEHRKLPSRIVFYRDGVSSGSLKQLFEFEVKDIIEKLKTEYARVQLSPPQLAYIVVTRSMNTRFFLNGQNPPPGTIVDDVITLPERYDFYLVSQQVRQGTVSPTSYNVLYSSMGLSPEKMQKLTYKMCHLYYNWSGTTRVPAVCQYAKKLATLVGTNLHSIPQNALEKKFYYL
					

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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	32.5	Very low	31.3	Very low	240 Å²	240	168.5 Å²	168.5	100%	1.182	84%	0.836	S	S	*	*				0	86.7	0	-59.8	173.8	-174.1	0	0	105.3
2	A	29.6	Very low	32.6	Very low	84 Å²	84	163.1 Å²	163.1	69%	0.694	82%	0.823	S	S	*	*				73.6	132.6	52.3	0	0	0	0	0	111.8
3	D	32.8	Very low	32.4	Very low	152 Å²	152	161.8 Å²	161.8	81%	0.813	82%	0.819	S	S	*	*			cis	-158.8	156.7	-11.9	-113.4	-34.5	0	0	0	113.4
4	D	34.1	Very low	32.2	Very low	120 Å²	120	159.4 Å²	159.4	64%	0.642	81%	0.809	S	S	*	*			trans	51.8	148.8	138	-146.7	16.2	0	0	0	126.1
5	Q	35.3	Very low	32.2	Very low	170 Å²	170	159.5 Å²	159.5	79%	0.794	81%	0.805	S	S	*	*			trans	52.8	150.2	148.6	-95.4	176.1	94.3	0	0	126
6	G	28.4	Very low	32.1	Very low	75 Å²	75	158.1 Å²	158.1	77%	0.773	80%	0.801	S	S	*	*			trans	163.1	120.2	164.4	0	0	0	0	0	113.9
7	R	31.1	Very low	32	Very low	250 Å²	250	156.9 Å²	156.9	94%	0.943	80%	0.797	S	S	*	*			trans	-130.4	141.6	-175	-81.2	178.9	169.2	174	-1.9	114.5
8	G	28	Very low	31.8	Very low	74 Å²	74	153.6 Å²	153.6	76%	0.763	79%	0.791	S	S	*	*			trans	80.5	-179.5	149.6	0	0	0	0	0	117.1
9	R	30	Very low	31.8	Very low	226 Å²	226	151.1 Å²	151.1	85%	0.853	79%	0.788	S	S	*	*			cis	-169.9	155.3	-28.3	-140.5	-178.2	-176.9	-174	1.5	107.8
10	R	28.1	Very low	31.8	Very low	225 Å²	225	150.1 Å²	150.1	85%	0.849	79%	0.789	S	S	*	*			trans	75.4	121.8	160.3	-69.6	-177.7	165.4	172.6	-5.8	120.8
11	R	34.4	Very low	31.6	Very low	237 Å²	237	148 Å²	148	89%	0.894	79%	0.787	S	S	*	*			trans	-31.6	164.5	133.9	-88	-175.5	-176.9	-173.7	0.2	114.4
12	P	46.3	Very low	31.6	Very low	104 Å²	104	148.4 Å²	148.4	68%	0.675	78%	0.775	S	S	*	*				-162.1	-172.9	51.3	49.3	-28.7	0	0	0	119.8
13	L	30.6	Very low	31.6	Very low	147 Å²	147	148.1 Å²	148.1	77%	0.77	78%	0.781	S	S	*	*			trans	63	162.3	156	-67.7	167.8	0	0	0	118.4
14	N	29.4	Very low	31.5	Very low	127 Å²	127	146.9 Å²	146.9	68%	0.679	78%	0.784	S	S	*	*			cis	-172.3	-173.2	-47.3	-127.2	49.6	0	0	0	108.4
15	E	31.6	Very low	31.3	Very low	162 Å²	162	144.4 Å²	144.4	76%	0.757	79%	0.787	S	S	*	*			trans	72.7	148.9	161.2	-37.5	-164.1	159.8	0	0	116.3
16	D	31.6	Very low	31.2	Very low	137 Å²	137	144.6 Å²	144.6	73%	0.733	79%	0.793	S	S	*	*			cis	-172.4	171.6	-23.1	-99.4	-7.9	0	0	0	107
17	D	30.9	Very low	31.1	Very low	137 Å²	137	143.8 Å²	143.8	73%	0.733	79%	0.785	S	S	*	*			cis	-166.4	174.1	-27.3	177.9	37.8	0	0	0	107.5
18	S	28.4	Very low	31.5	Very low	98 Å²	98	137.5 Å²	137.5	69%	0.685	78%	0.776	S	S	*	*			trans	76.1	156.4	162.3	87	0	0	0	0	117.3
19	S	30.4	Very low	31.5	Very low	105 Å²	105	145.1 Å²	145.1	73%	0.734	78%	0.782	S	S	*	*			cis	-170.1	164.5	-32.5	63.7	0	0	0	0	107
20	T	31.5	Very low	31.4	Very low	131 Å²	131	140 Å²	140	80%	0.804	78%	0.776	S	S	*	*			cis	-132.1	-164.2	3.2	55.2	0	0	0	0	107.6
21	S	29.4	Very low	31.3	Very low	108 Å²	108	138 Å²	138	76%	0.755	77%	0.773	S	S	*	*			cis	-154.2	-177	8.6	62.9	0	0	0	0	114.4
22	R	32.6	Very low	30.9	Very low	247 Å²	247	132.3 Å²	132.3	93%	0.932	76%	0.764	S	S	*	*			trans	-51.5	155.7	179.4	-62.2	164.6	-176.9	174	0.3	116.4
23	G	28.8	Very low	29.9	Very low	79 Å²	79	135.3 Å²	135.3	81%	0.814	77%	0.767	S	S	*	*			cis	-170.9	164.9	3.5	0	0	0	0	0	116.1
24	S	31.2	Very low	29.7	Very low	125 Å²	125	139.1 Å²	139.1	87%	0.874	77%	0.771	S	S	*	*			trans	-88	172	-176.6	50.3	0	0	0	0	113.6
25	G	29.3	Very low	29.5	Very low	68 Å²	68	136.5 Å²	136.5	70%	0.701	77%	0.774	S	S	*	*			cis	131.8	134.7	-5.8	0	0	0	0	0	114.6
26	D	32.4	Very low	29.3	Very low	175 Å²	175	134 Å²	134	94%	0.936	77%	0.774	S	S	*	*			trans	67.7	155.2	167.2	-146.5	4.6	0	0	0	119.5
27	G	26.1	Very low	29.1	Very low	58 Å²	58	133 Å²	133	60%	0.598	78%	0.778	S	S	*	*			trans	-159.4	129.9	-171.5	0	0	0	0	0	114.7
28	P	40.3	Very low	29	Very low	117 Å²	117	131.9 Å²	131.9	76%	0.76	78%	0.781	S	S	*	*			trans	-109.3	145.4	-171	38.8	-33.5	0	0	0	116.6
29	R	28.1	Very low	28.8	Very low	234 Å²	234	130.8 Å²	130.8	88%	0.883	79%	0.786	S	S	*	*			trans	59.5	139.8	137.3	-73.9	-176.6	172.2	-174.5	-1.1	122.7
30	V	27.7	Very low	28.9	Very low	119 Å²	119	133.1 Å²	133.1	72%	0.721	79%	0.79	S	S	*	*			trans	99.2	116.2	130.3	152.5	0	0	0	0	122.2
31	K	26.3	Very low	29.7	Very low	182 Å²	182	130.9 Å²	130.9	79%	0.791	78%	0.778	S	S	*	*			trans	64.2	129.9	139.2	-74.3	-174.2	-178.6	179.6	0	124.8
32	V	25.6	Very low	29.6	Very low	118 Å²	118	136.9 Å²	136.9	72%	0.715	78%	0.783	S	S	*	*				91.7	120.6	121.7	165.5	0	0	0	0	123.2
33	F	25	Very low	29.4	Very low	167 Å²	167	129.7 Å²	129.7	73%	0.732	78%	0.777	S	S	*	*			trans	75.8	128.5	144.2	-92.3	-134.9	0	0	0	125.8
34	R	26.8	Very low	29.3	Very low	228 Å²	228	133.1 Å²	133.1	86%	0.86	78%	0.777	S	S	*	*			trans	65.6	135.5	135.9	-82.2	-171.4	179.4	-176.3	-1.2	123.7
35	G	25.1	Very low	30.1	Very low	72 Å²	72	131.6 Å²	131.6	74%	0.742	76%	0.764	S	S	*	*			trans	95.7	155.1	150.2	0	0	0	0	0	115.5
36	S	27	Very low	30	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	77%	0.77	S	S	*	*			cis	178.9	151	-25.4	36.1	0	0	0	0	108.8
37	S	28.4	Very low	29.9	Very low	116 Å²	116	138 Å²	138	81%	0.811	76%	0.764	S	S	*	*			trans	62.3	165.7	171.3	74.5	0	0	0	0	115.3
38	S	27.6	Very low	30	Very low	115 Å²	115	144 Å²	144	80%	0.804	78%	0.776	S	S	*	*			cis	-174.2	157.3	-29.4	50.7	0	0	0	0	108.5
39	G	25.7	Very low	29.3	Very low	75 Å²	75	142.6 Å²	142.6	77%	0.773	78%	0.775	S	S	*	*			trans	126.3	95.5	158.1	0	0	0	0	0	117.4
40	D	31	Very low	29.2	Very low	154 Å²	154	136.8 Å²	136.8	82%	0.824	77%	0.77	S	S	*	*			trans	-73.5	177.3	144.5	-153.4	44.1	0	0	0	107.8
41	P	48.5	Very low	29.2	Very low	84 Å²	84	143.2 Å²	143.2	55%	0.545	78%	0.782	S	S	.	*			cis	-155.5	-169.7	22.4	47.2	-25.3	0	0	0	119.8
42	R	28.7	Very low	29.2	Very low	233 Å²	233	142.5 Å²	142.5	88%	0.879	78%	0.781	S	S	*	*			trans	77.3	145.8	156	-68	165.6	-165.7	-177.4	2.9	118.1
43	A	27	Very low	29.4	Very low	96 Å²	96	148.5 Å²	148.5	79%	0.793	79%	0.791	S	S	*	*			cis	-159	163.8	-13.6	0	0	0	0	0	112.8
44	D	26.4	Very low	29.4	Very low	152 Å²	152	151.2 Å²	151.2	81%	0.813	80%	0.796	S	S	*	*			trans	-75	-171.3	179.1	-136.4	14.6	0	0	0	112.6
45	P	48.5	Very low	29.4	Very low	93 Å²	93	144.9 Å²	144.9	60%	0.604	79%	0.792	S	S	*	*			cis	-139.4	169.2	-5.3	30.2	-7	0	0	0	117.6
46	R	27.6	Very low	29.4	Very low	219 Å²	219	149.8 Å²	149.8	83%	0.826	80%	0.801	S	S	*	*				168.4	146	109.1	-93.5	-174.9	179.1	-167.2	-1.3	117.9
47	I	30.7	Very low	29.3	Very low	158 Å²	158	153.4 Å²	153.4	81%	0.81	81%	0.806	S	S	*	*			trans	88.2	123.8	156.6	-65.5	152.8	0	0	0	118.8
48	E	27.6	Very low	29.3	Very low	183 Å²	183	157.5 Å²	157.5	86%	0.855	81%	0.812	S	S	*	*			trans	-68.5	172.1	-176.8	-50.8	157.4	114.6	0	0	112.5
49	A	26.5	Very low	29.1	Very low	88 Å²	88	156.4 Å²	156.4	73%	0.727	81%	0.81	S	S	*	*			cis	-162.9	172.2	24.1	0	0	0	0	0	114.2
50	S	25.5	Very low	29.1	Very low	113 Å²	113	158.6 Å²	158.6	79%	0.79	81%	0.81	S	S	*	*			trans	74	87.4	153.2	73.5	0	0	0	0	120.7
51	R	27.1	Very low	28.9	Very low	254 Å²	254	163 Å²	163	96%	0.958	82%	0.816	S	S	*	*			trans	-176.5	90.5	131.8	-105.8	174.8	-179.6	-172.6	2.2	112
52	E	27.5	Very low	27.8	Very low	166 Å²	166	170.8 Å²	170.8	78%	0.776	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-92.2	141.3	165.8	-76.5	-153.9	138.3	0	0	112.3
53	R	29.2	Very low	27.6	Very low	245 Å²	245	168.8 Å²	168.8	93%	0.925	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-93.3	128.5	155.9	-64.6	170.6	174.3	165.8	-3	106.9
54	R	25.5	Very low	27.5	Very low	223 Å²	223	168.1 Å²	168.1	84%	0.842	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-95.2	137.8	160.7	-75.7	-169.5	172.8	-163.8	-3.5	110.3
55	A	25.6	Very low	27.3	Very low	95 Å²	95	163.5 Å²	163.5	79%	0.785	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-67.7	156.9	165.9	0	0	0	0	0	109.6
56	L	26.1	Very low	26.2	Very low	176 Å²	176	165.2 Å²	165.2	92%	0.921	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-103.8	137.3	168.2	-90.3	163.5	0	0	0	109.2
57	E	24.6	Very low	26.2	Very low	183 Å²	183	161.4 Å²	161.4	86%	0.855	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-79.4	162.7	-170.7	-64.2	155.8	120.2	0	0	112.5	A59	E57-A59 PolarHBondContact O-N 3.41Å
58	E	28.6	Very low	26	Very low	203 Å²	203	162.7 Å²	162.7	95%	0.949	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-72.3	121.5	171.8	-65.8	-169.5	115.1	0	0	110.8
59	A	23.8	Very low	25.9	Very low	91 Å²	91	163 Å²	163	75%	0.752	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-96.4	145.9	171.7	0	0	0	0	0	111	E57	E57-A59 PolarHBondContact O-N 3.41Å
60	P	25.6	Very low	25.8	Very low	121 Å²	121	167.2 Å²	167.2	79%	0.786	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-73.6	153.6	-160.5	27.3	-35.9	0	0	0	115.1	R62	P60-R62 PolarHBondContact O-N 3.29Å
61	R	27	Very low	25.9	Very low	248 Å²	248	165.7 Å²	165.7	94%	0.936	82%	0.823	S	S	*	*			trans	-61.8	115.8	173.3	-63.8	177.8	-178.7	173.9	1.6	110.2
62	R	25.1	Very low	26.2	Very low	247 Å²	247	165.7 Å²	165.7	93%	0.932	82%	0.823	S	S	*	*			trans	-70.9	140.1	164.2	-76.6	-174.6	171.3	-177.5	-3	110.2	P60	P60-R62 PolarHBondContact O-N 3.29Å
63	E	23.7	Very low	26.5	Very low	191 Å²	191	159 Å²	159	89%	0.893	80%	0.799	S	S	*	*			trans	-67.3	149.7	-179.8	-61.9	-179.7	120.9	0	0	112	G65	E63-G65 PolarHBondContact O-N 3.22Å
64	G	25.1	Very low	26.5	Very low	81 Å²	81	154.2 Å²	154.2	84%	0.835	79%	0.792	S	S	*	*			trans	-80.5	96.9	-175.4	0	0	0	0	0	112.6
65	G	23.2	Very low	27.2	Very low	55 Å²	55	151.1 Å²	151.1	57%	0.567	79%	0.787	S	S	*	*			trans	-56.7	149	160.2	0	0	0	0	0	111.1	E63 T67	E63-G65 PolarHBondContact O-N 3.22Å; G65-T67 PolarHBondContact O-N 2.81Å; G65-T67 VanDerWaalsContact O-N 3.11Å
66	P	24.9	Very low	28.2	Very low	130 Å²	130	150.3 Å²	150.3	84%	0.844	76%	0.764	S	S	*	*			trans	-62.3	116.5	-173.5	25	-34.1	0	0	0	111	E68	P66-E68 PolarHBondContact O-N 2.9Å; P66-E68 VanDerWaalsContact O-N 3.13Å
67	T	27.2	Very low	29.3	Very low	139 Å²	139	147.2 Å²	147.2	85%	0.853	75%	0.748	S	S	*	*			trans	-66.7	113.2	-178.5	43.7	0	0	0	0	110.9	G65 R69	G65-T67 PolarHBondContact O-N 2.81Å; G65-T67 VanDerWaalsContact O-N 3.11Å; T67-R69 PolarHBondContact O-N 2.78Å
68	E	26.7	Very low	31	Very low	184 Å²	184	141.8 Å²	141.8	86%	0.86	72%	0.72	S	S	*	*			trans	-55.8	136.2	175.5	-65.9	-167.1	123.2	0	0	111.3	P66 K70	P66-E68 PolarHBondContact O-N 2.9Å; P66-E68 VanDerWaalsContact O-N 3.13Å; E68-K70 PolarHBondContact O-N 2.79Å
69	R	25.4	Very low	33.1	Very low	191 Å²	191	133.4 Å²	133.4	72%	0.721	68%	0.682	S	S	*	*			trans	-66.4	98.7	175.3	-69	178.9	179.6	156.9	3.6	109.2	T67 P71	T67-R69 PolarHBondContact O-N 2.78Å; R69-P71 WeakPolarHBondContact O-CD 3.28Å; R69-P71 VanDerWaalsContact O-N 3.12Å
70	K	24.7	Very low	35.9	Very low	175 Å²	175	134.2 Å²	134.2	76%	0.761	67%	0.674	S	S	*	*			trans	-47.6	120.7	170	-81.5	-158.1	171.3	-161.5	0	110	E68	E68-K70 PolarHBondContact O-N 2.79Å
71	P	28.5	Very low	38.5	Very low	82 Å²	82	129.1 Å²	129.1	53%	0.532	64%	0.64	S	S	.	*			trans	-61.6	165.4	-179.4	-26.2	35.9	0	0	0	113.3	R69 G73	R69-P71 WeakPolarHBondContact O-CD 3.28Å; R69-P71 VanDerWaalsContact O-N 3.12Å; P71-G73 PolarHBondContact O-N 2.89Å
72	W	33	Very low	41.2	Very low	253 Å²	253	120.4 Å²	120.4	96%	0.958	61%	0.607	S	S	*	*	S	Bend	trans	-74.3	66.8	175.2	-76.6	40.4	0	0	0	111.6
73	G	33.6	Very low	43.8	Very low	26 Å²	26	111 Å²	111	27%	0.268	58%	0.578	S	S	.	*			trans	-113.9	-61.1	-170.8	0	0	0	0	0	117	P71 Q75 Q195	P71-G73 PolarHBondContact O-N 2.89Å; G73-Q75 VanDerWaalsContact C-N 3.29Å; G73-Q75 PolarHBondContact O-N 2.89Å; G73-Q195 PolarHBondContact O-NE2 2.94Å; G73-Q195 VanDerWaalsContact O-NE2 3.1Å
74	D	28.6	Very low	46.4	Very low	145 Å²	145	109.1 Å²	109.1	78%	0.775	58%	0.579	S	S	*	*			trans	-81.3	39.3	-145.7	-49.7	-21.2	0	0	0	116.7
75	Q	41.4	Very low	49	Very low	158 Å²	158	114 Å²	114	74%	0.738	58%	0.581	S	S	*	*	S	Bend	trans	-115.4	18.4	-178	-148.4	172.1	20.7	0	0	114.7	G73	G73-Q75 VanDerWaalsContact C-N 3.29Å; G73-Q75 PolarHBondContact O-N 2.89Å
76	Y	44.9	Very low	51.7	Low	77 Å²	77	112.9 Å²	112.9	30%	0.302	56%	0.562	S	S	.	*			trans	-137.2	46.1	-174.1	-68	-94.2	0	0	0	112.1	Y78 P191 L194 Q195	Y76-Y78 WeakPolarHBondContact O-CD2 3.26Å; Y76-Y78 PolarHBondContact O-N 2.89Å; Y76-P191 VanDerWaalsContact O-CB 3.27Å; Y76-P191 WeakPolarHBondContact O-CB 3.43Å; Y76-P191 VanDerWaalsContact O-CG 3.27Å; Y76-P191 WeakPolarHBondContact O-CG 3.46Å; Y76-L194 HydrophobicContact CD1-CD2 4.05Å; Y76-L194 HydrophobicContact CE1-CD2 3.95Å; Y76-Q195 HydrophobicContact CD2-CG 3.75Å; Y76-Q195 HydrophobicContact CE2-CG 3.74Å; Y76-Q195 HydrophobicContact CG-CG 4.21Å
77	D	49.1	Very low	54.3	Low	111 Å²	111	113.1 Å²	113.1	59%	0.594	56%	0.56	S	S	*	*			trans	-69.1	113.2	174.6	-132.8	-23.8	0	0	0	109.8	K693	D77-K693 HydrophobicContact CB-CD 3.87Å; D77-K693 VanDerWaalsContact CG-CD 3.43Å; D77-K693 IonicContact OD1-NZ 3.5Å; D77-K693 PolarHBondContact OD1-NZ 2.95Å; D77-K693 WeakPolarHBondContact OD2-CD 3.4Å; D77-K693 IonicContact OD2-NZ 3.56Å; D77-K693 PolarHBondContact OD2-NZ 3.27Å
78	Y	61.8	Low	57.1	Low	69 Å²	69	109.1 Å²	109.1	27%	0.271	54%	0.538	S	S	.	.			trans	-91.2	136.3	179.5	-80.8	-92.1	0	0	0	111.4	Y76 P191 L194 R242 E755	Y76-Y78 WeakPolarHBondContact O-CD2 3.26Å; Y76-Y78 PolarHBondContact O-N 2.89Å; Y78-P191 HydrophobicContact CD2-CB 4.37Å; Y78-P191 HydrophobicContact CD2-CG 4.14Å; Y78-P191 HydrophobicContact CE2-CB 4.43Å; Y78-L194 WeakPolarHBondContact OH-CD2 3.27Å; Y78-R242 PolarHBondContact OH-NH1 2.87Å; Y78-E755 HydrophobicContact CD1-CG 4.16Å
79	L	72.7	Confident	60.2	Low	28 Å²	28	100.5 Å²	100.5	15%	0.147	50%	0.498	C	S	.	.			trans	-101.9	113.7	166.7	-179.1	74	0	0	0	107.6	T81 F696	L79-T81 HydrophobicContact CD2-CG2 3.56Å; L79-T81 HydrophobicContact CG-CG2 3.73Å; L79-F696 HydrophobicContact CD1-CB 4.23Å; L79-F696 HydrophobicContact CD1-CD1 3.75Å; L79-F696 HydrophobicContact CD1-CE1 4.25Å; L79-F696 HydrophobicContact CD1-CG 3.97Å; L79-F696 HydrophobicContact CD2-CB 3.47Å; L79-F696 VanDerWaalsContact CD2-CB 3.47Å; L79-F696 HydrophobicContact CD2-CD1 4.38Å; L79-F696 HydrophobicContact CD2-CD2 4.06Å; L79-F696 HydrophobicContact CD2-CG 3.73Å; L79-F696 HydrophobicContact CG-CG 4.5Å
80	N	81.3	Confident	63.4	Low	108 Å²	108	95.7 Å²	95.7	58%	0.578	48%	0.482	S	S	*	.			trans	-73.6	123.1	165.9	-176.7	5.4	0	0	0	108.3	R82 E755	N80-R82 PolarHBondContact OD1-N 2.7Å; N80-R82 VanDerWaalsContact OD1-N 3.11Å; N80-E755 CarbonylContact C-O 3.49Å; N80-E755 WeakPolarHBondContact CA-O 3.42Å; N80-E755 HydrophobicContact CB-CB 4.5Å; N80-E755 PolarHBondContact OD1-O 3.44Å
81	T	81	Confident	66.6	Low	13 Å²	13	87.7 Å²	87.7	8%	0.08	45%	0.449	C	S	.	.			trans	-118.6	1.1	179.2	67.6	0	0	0	0	113.3	L79 P83 E755 R756 N777 V778 L779	L79-T81 HydrophobicContact CD2-CG2 3.56Å; L79-T81 HydrophobicContact CG-CG2 3.73Å; T81-P83 WeakPolarHBondContact O-CD 3.5Å; T81-E755 PolarHBondContact N-O 2.81Å; T81-R756 WeakPolarHBondContact OG1-CA 3.4Å; T81-N777 PolarHBondContact OG1-OD1 3.01Å; T81-N777 VanDerWaalsContact OG1-OD1 3.12Å; T81-V778 WeakPolarHBondContact CB-O 3.48Å; T81-V778 PolarHBondContact OG1-O 3.47Å; T81-L779 HydrophobicContact CG2-CB 4.44Å; T81-L779 HydrophobicContact CG2-CD2 3.79Å
82	R	83.4	Confident	69.6	Low	65 Å²	65	89.3 Å²	89.3	25%	0.245	46%	0.457	C	S	.	.	S	Bend	trans	-77.7	117.6	171.8	-171.7	174.1	-175.3	152.1	-4.3	108.7	N80 L86 V87 E245 P754 E755	N80-R82 PolarHBondContact OD1-N 2.7Å; N80-R82 VanDerWaalsContact OD1-N 3.11Å; R82-L86 PolarHBondContact NE-O 3.35Å; R82-V87 PolarHBondContact NH2-O 3.16Å; R82-E245 IonicContact NH1-OE2 3.51Å; R82-E245 PolarHBondContact NH1-OE2 2.94Å; R82-E245 VanDerWaalsContact NH1-OE2 3.12Å; R82-P754 WeakPolarHBondContact CD-O 3.44Å; R82-E755 PolarHBondContact N-O 2.66Å
83	P	80.7	Confident	72.3	Confident	50 Å²	50	79.8 Å²	79.8	33%	0.325	43%	0.425	S	S	.	.			trans	-59.8	143.6	173.6	-20.6	32.6	0	0	0	110.4	T81 E85 L86	T81-P83 WeakPolarHBondContact O-CD 3.5Å; P83-E85 PolarHBondContact O-N 2.76Å; P83-L86 HydrophobicContact CB-CB 4.09Å; P83-L86 HydrophobicContact CG-CB 4.2Å; P83-L86 WeakPolarHBondContact O-CB 3.45Å; P83-L86 PolarHBondContact O-N 2.98Å
84	V	77.4	Confident	75.1	Confident	151 Å²	151	80.4 Å²	80.4	92%	0.915	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.9	179.6	-177.5	0	0	0	0	111.2	L86	V84-L86 PolarHBondContact O-N 3.06Å
85	E	79.1	Confident	78.4	Confident	184 Å²	184	78 Å²	78	86%	0.86	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.8	174.5	-64.4	158.7	-142.5	0	0	113.7	P83 V87	P83-E85 PolarHBondContact O-N 2.76Å; E85-V87 VanDerWaalsContact C-N 3.33Å; E85-V87 PolarHBondContact O-N 3.32Å
86	L	81.3	Confident	81	Confident	32 Å²	32	74.3 Å²	74.3	17%	0.168	41%	0.412	C	S	.	.			trans	-85.1	75.1	-175.3	-168.5	69.1	0	0	0	111.5	R82 P83 V84 S88 K89 Y757 P787	R82-L86 PolarHBondContact NE-O 3.35Å; P83-L86 HydrophobicContact CB-CB 4.09Å; P83-L86 HydrophobicContact CG-CB 4.2Å; P83-L86 WeakPolarHBondContact O-CB 3.45Å; P83-L86 PolarHBondContact O-N 2.98Å; V84-L86 PolarHBondContact O-N 3.06Å; L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 WeakPolarHBondContact CD1-O 3.43Å; L86-S88 PolarHBondContact O-N 3.15Å; L86-K89 HydrophobicContact CD2-CB 4.09Å; L86-Y757 HydrophobicContact CD2-CD1 3.63Å; L86-Y757 HydrophobicContact CD2-CD2 3.67Å; L86-Y757 HydrophobicContact CD2-CE1 4.04Å; L86-Y757 HydrophobicContact CD2-CE2 4.09Å; L86-Y757 HydrophobicContact CD2-CG 3.44Å; L86-Y757 VanDerWaalsContact CD2-CG 3.44Å; L86-P787 HydrophobicContact CD1-CG 4.2Å
87	V	79.1	Confident	83.5	Confident	135 Å²	135	71.8 Å²	71.8	82%	0.818	41%	0.405	S	S	*	.	S	Bend	trans	-46.7	-49.9	176	-176.9	0	0	0	0	111.2	R82 E85	R82-V87 PolarHBondContact NH2-O 3.16Å; E85-V87 VanDerWaalsContact C-N 3.33Å; E85-V87 PolarHBondContact O-N 3.32Å
88	S	86.4	Confident	85.8	Confident	54 Å²	54	71.2 Å²	71.2	38%	0.378	40%	0.399	S	S	.	.			trans	-131.7	135.9	177.1	-178.8	0	0	0	0	111.6	L86 K90	L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 WeakPolarHBondContact CD1-O 3.43Å; L86-S88 PolarHBondContact O-N 3.15Å; S88-K90 WeakPolarHBondContact OG-CB 3.29Å; S88-K90 PolarHBondContact OG-N 3.38Å; S88-K90 VanDerWaalsContact OG-N 3.11Å
89	K	90.8	Very high	87.4	Confident	4 Å²	4	68 Å²	68	2%	0.017	39%	0.387	C	S	.	.			trans	-93.6	1.1	168.4	65.6	-177.1	174.9	-173.9	0	113.7	L86 E245 D748 L753 R756 Y757 D758 P787	L86-K89 HydrophobicContact CD2-CB 4.09Å; K89-E245 VanDerWaalsContact CE-CD 3.4Å; K89-E245 WeakPolarHBondContact CE-OE1 3.41Å; K89-E245 WeakPolarHBondContact CE-OE2 3.34Å; K89-E245 IonicContact NZ-OE1 3.99Å; K89-E245 PolarHBondContact NZ-OE1 3.41Å; K89-E245 IonicContact NZ-OE2 3.15Å; K89-D748 WeakPolarHBondContact CE-O 3.4Å; K89-L753 PolarHBondContact NZ-O 3.3Å; K89-R756 VanDerWaalsContact CD-O 3.28Å; K89-R756 WeakPolarHBondContact CD-O 3.34Å; K89-R756 PolarHBondContact NZ-O 3.38Å; K89-Y757 HydrophobicContact CB-CD2 3.91Å; K89-Y757 HydrophobicContact CB-CE2 4.32Å; K89-D758 IonicContact NZ-OD1 3.52Å; K89-D758 PolarHBondContact NZ-OD1 2.8Å; K89-P787 VanDerWaalsContact O-CB 3.23Å; K89-P787 WeakPolarHBondContact O-CB 3.46Å
90	K	93.4	Very high	88.4	Confident	90 Å²	90	68.9 Å²	68.9	39%	0.391	39%	0.39	S	S	.	.			trans	-77.9	128.7	178.7	-48.8	-173.5	-159.5	-169.8	0	110.3	S88 D748 D749	S88-K90 WeakPolarHBondContact OG-CB 3.29Å; S88-K90 PolarHBondContact OG-N 3.38Å; S88-K90 VanDerWaalsContact OG-N 3.11Å; K90-D748 WeakPolarHBondContact CA-OD2 3.49Å; K90-D749 HydrophobicContact CD-CB 4.07Å; K90-D749 VanDerWaalsContact CE-OD2 3.29Å; K90-D749 WeakPolarHBondContact CE-OD2 3.38Å; K90-D749 HydrophobicContact CG-CB 4.34Å; K90-D749 IonicContact NZ-OD1 2.63Å; K90-D749 IonicContact NZ-OD2 2.66Å; K90-D749 PolarHBondContact NZ-OD2 3.46Å
91	G	91.3	Very high	89.1	Confident	7 Å²	7	63.8 Å²	63.8	7%	0.072	36%	0.363	C	S	.	.			trans	-80.6	161.3	167.7	0	0	0	0	0	112.2	R436 D748	G91-R436 VanDerWaalsContact O-CZ 3.24Å; G91-R436 PolarHBondContact O-NE 3.21Å; G91-D748 PolarHBondContact N-OD2 2.91Å
92	T	91.4	Very high	89.7	Confident	115 Å²	115	63.2 Å²	63.2	71%	0.706	36%	0.359	S	S	*	.			trans	-107.2	-30.5	179.7	62.8	0	0	0	0	113.9	E788	T92-E788 PolarHBondContact N-OE2 2.85Å; T92-E788 PolarHBondContact OG1-OE2 2.87Å
93	D	88.9	Confident	90.3	Very high	53 Å²	53	60.4 Å²	60.4	28%	0.283	35%	0.349	S	S	.	.			trans	-53.1	141.8	179.5	-86.7	-38.7	0	0	0	114.5	R436 E788 K792	D93-R436 WeakPolarHBondContact O-CD 3.42Å; D93-R436 PolarHBondContact O-NH1 2.94Å; D93-E788 HydrophobicContact CB-CB 4.04Å; D93-E788 HydrophobicContact CB-CG 4.25Å; D93-E788 WeakPolarHBondContact OD2-CG 3.32Å; D93-K792 IonicContact OD1-NZ 2.81Å; D93-K792 PolarHBondContact OD1-NZ 2.77Å; D93-K792 WeakPolarHBondContact OD2-CE 3.34Å; D93-K792 IonicContact OD2-NZ 3.8Å; D93-K792 PolarHBondContact OD2-NZ 3.21Å
94	G	93.8	Very high	90.9	Very high	39 Å²	39	58.1 Å²	58.1	40%	0.402	33%	0.334	S	S	.	.	S	Bend	trans	96.7	176.2	163.8	0	0	0	0	0	115	I437	G94-I437 CarbonylContact C-O 3.58Å; G94-I437 WeakPolarHBondContact CA-O 3.24Å
95	V	97	Very high	91.8	Very high	95 Å²	95	55.7 Å²	55.7	58%	0.576	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	121	-172.7	-177.6	0	0	0	0	109.9	R436 I437	V95-R436 CarbonylContact O-C 3.58Å; V95-R436 VanDerWaalsContact O-CA 3.28Å; V95-R436 WeakPolarHBondContact O-CA 3.18Å; V95-I437 PolarHBondContact N-O 3.18Å; V95-I437 PolarHBondContact O-N 3.22Å
96	P	96.9	Very high	92.4	Very high	81 Å²	81	47.1 Å²	47.1	53%	0.526	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142	178.2	29.3	-34.7	0	0	0	111.4	G435	P96-G435 WeakPolarHBondContact CA-O 3.4Å
97	V	96.9	Very high	92.9	Very high	24 Å²	24	49.7 Å²	49.7	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.7	178.3	-71.5	0	0	0	0	111.1	L99 G435 I437 L736	V97-L99 HydrophobicContact CG2-CD1 4.25Å; V97-L99 HydrophobicContact CG2-CD2 4.14Å; V97-L99 HydrophobicContact CG2-CG 4.08Å; V97-G435 PolarHBondContact N-O 2.92Å; V97-G435 PolarHBondContact O-N 3.05Å; V97-I437 HydrophobicContact CG1-CD1 3.66Å; V97-I437 HydrophobicContact CG1-CG1 4.14Å; V97-I437 HydrophobicContact CG2-CD1 4.32Å; V97-I437 HydrophobicContact CG2-CG1 4.04Å; V97-L736 HydrophobicContact CB-CD1 4.02Å; V97-L736 HydrophobicContact CG1-CD1 4.31Å
98	M	96.9	Very high	93.3	Very high	99 Å²	99	46 Å²	46	49%	0.488	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.9	170.3	-163.5	57.6	65.1	0	0	109.9	E432 V433 Q434 L736	M98-E432 HydrophobicContact CG-CB 4.11Å; M98-E432 HydrophobicContact SD-CB 3.96Å; M98-V433 VanDerWaalsContact SD-C 3.52Å; M98-Q434 HydrophobicContact CE-CB 4.37Å; M98-L736 WeakPolarHBondContact O-CD1 3.45Å
99	L	96.1	Very high	93.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.2	-173.6	-62.9	167.6	0	0	0	110.7	V97 E432 V433 F734 F735 L736 P741 T745 V747	V97-L99 HydrophobicContact CG2-CD1 4.25Å; V97-L99 HydrophobicContact CG2-CD2 4.14Å; V97-L99 HydrophobicContact CG2-CG 4.08Å; L99-E432 CarbonylContact O-C 3.44Å; L99-E432 WeakPolarHBondContact O-CA 3.28Å; L99-V433 WeakPolarHBondContact CB-O 3.13Å; L99-V433 PolarHBondContact N-O 2.88Å; L99-V433 PolarHBondContact O-N 3.28Å; L99-F734 HydrophobicContact CB-CB 4.36Å; L99-F734 HydrophobicContact CD1-CD2 3.94Å; L99-F734 HydrophobicContact CD1-CE2 4.36Å; L99-F735 WeakPolarHBondContact CA-O 3.4Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4.02Å; L99-L736 HydrophobicContact CD2-CG 4.48Å; L99-P741 HydrophobicContact CD2-CG 4.46Å; L99-T745 HydrophobicContact CD1-CG2 3.67Å; L99-T745 HydrophobicContact CD2-CG2 4.23Å; L99-V747 HydrophobicContact CD1-CG2 3.5Å
100	Q	93.9	Very high	92.5	Very high	48 Å²	48	55.8 Å²	55.8	22%	0.224	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131	170.9	-75.8	172.3	-6.9	0	0	109	V430 E432 F734 F735	Q100-V430 HydrophobicContact CB-CG1 4.49Å; Q100-E432 HydrophobicContact CG-CG 3.96Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.41Å; Q100-E432 PolarHBondContact NE2-OE1 2.91Å; Q100-F734 CarbonylContact O-C 3.53Å; Q100-F734 WeakPolarHBondContact O-CA 3.48Å; Q100-F735 PolarHBondContact N-O 2.89Å; Q100-F735 VanDerWaalsContact O-CD2 3.26Å; Q100-F735 WeakPolarHBondContact O-CD2 3.47Å; Q100-F735 PolarHBondContact O-N 2.84Å
101	T	94.6	Very high	91.8	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-159.7	-176.4	68.1	0	0	0	0	112.4	F103 V430 T431 V433 R733 F734 F735 I751	T101-F103 PolarHBondContact OG1-N 3.26Å; T101-V430 WeakPolarHBondContact O-CG1 3.38Å; T101-T431 WeakPolarHBondContact CB-O 3.4Å; T101-T431 VanDerWaalsContact CG2-O 3.31Å; T101-T431 WeakPolarHBondContact CG2-O 3.43Å; T101-T431 PolarHBondContact N-O 2.96Å; T101-T431 VanDerWaalsContact N-O 3.17Å; T101-T431 PolarHBondContact OG1-O 2.82Å; T101-V433 HydrophobicContact CG2-CB 4.22Å; T101-V433 HydrophobicContact CG2-CG2 3.5Å; T101-R733 CarbonylContact C-O 3.53Å; T101-R733 WeakPolarHBondContact CA-O 3.33Å; T101-F734 HydrophobicContact CG2-CB 4.39Å; T101-F735 WeakPolarHBondContact O-CE2 3.16Å; T101-I751 HydrophobicContact CG2-CD1 4.05Å; T101-I751 HydrophobicContact CG2-CG2 4.05Å
102	N	95.1	Very high	91.6	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	28.4	159.5	69.2	-41.9	0	0	0	112.5	T252 L402 N731 R733	N102-T252 WeakPolarHBondContact CB-O 3.4Å; N102-T252 PolarHBondContact ND2-O 3.48Å; N102-T252 PolarHBondContact O-N 2.89Å; N102-L402 HydrophobicContact CB-CD1 3.59Å; N102-N731 PolarHBondContact ND2-O 3.07Å; N102-N731 PolarHBondContact OD1-O 2.83Å; N102-R733 HydrophobicContact CB-CB 4.01Å; N102-R733 PolarHBondContact N-O 2.93Å; N102-R733 PolarHBondContact OD1-N 2.87Å; N102-R733 PolarHBondContact OD1-O 3.43Å
103	F	95	Very high	91.4	Very high	7 Å²	7	61.4 Å²	61.4	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	148.3	175.9	-68.5	-106	0	0	0	109.9	T101 H244 L249 L250 T431 T732 I751	T101-F103 PolarHBondContact OG1-N 3.26Å; F103-H244 AromaticContact CE1-CE1 3.82Å; F103-H244 AromaticContact CE1-NE2 3.53Å; F103-L249 HydrophobicContact CB-CB 4.23Å; F103-L249 HydrophobicContact CB-CD1 4.19Å; F103-L249 HydrophobicContact CD1-CB 3.72Å; F103-L249 HydrophobicContact CD1-CD1 4.13Å; F103-L249 HydrophobicContact CG-CB 4.41Å; F103-L249 HydrophobicContact CG-CD1 4.34Å; F103-L250 WeakPolarHBondContact CA-O 3.37Å; F103-T431 PolarHBondContact O-N 3.48Å; F103-T431 PolarHBondContact O-OG1 3.45Å; F103-T732 HydrophobicContact CE2-CG2 3.91Å; F103-T732 HydrophobicContact CZ-CG2 4.34Å; F103-I751 HydrophobicContact CB-CG2 4.4Å; F103-I751 HydrophobicContact CD1-CG2 4.43Å; F103-I751 HydrophobicContact CD2-CB 4.45Å; F103-I751 HydrophobicContact CD2-CG2 3.72Å; F103-I751 HydrophobicContact CE2-CB 4.3Å; F103-I751 HydrophobicContact CE2-CG2 4.07Å; F103-I751 HydrophobicContact CG-CG2 3.93Å
104	F	94.8	Very high	91.5	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.1	169.6	-58.9	-81.5	0	0	0	108.2	L249 L250 L402 N406 L426 V430	F104-L249 WeakPolarHBondContact O-CA 3.35Å; F104-L250 PolarHBondContact N-O 3.23Å; F104-L250 PolarHBondContact O-N 2.94Å; F104-L402 HydrophobicContact CZ-CB 4.24Å; F104-N406 HydrophobicContact CD1-CB 4.37Å; F104-N406 VanDerWaalsContact CD1-ND2 3.26Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.38Å; F104-N406 HydrophobicContact CE1-CB 3.82Å; F104-N406 VanDerWaalsContact CE1-ND2 3.28Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.49Å; F104-N406 HydrophobicContact CE2-CB 4.31Å; F104-N406 HydrophobicContact CZ-CB 3.78Å; F104-L426 HydrophobicContact CB-CD1 3.51Å; F104-L426 HydrophobicContact CG-CD1 4.34Å; F104-V430 HydrophobicContact CD1-CG2 4.35Å; F104-V430 HydrophobicContact CE1-CB 4.49Å; F104-V430 HydrophobicContact CE1-CG2 3.6Å; F104-V430 HydrophobicContact CZ-CG2 4.01Å
105	R	94.4	Very high	91.3	Very high	100 Å²	100	57.2 Å²	57.2	38%	0.377	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	138	177.3	-173.3	-176.5	-170.5	-175.8	6.9	110.3	D247 L249 D427 T431	R105-D247 HydrophobicContact CG-CB 4.22Å; R105-D247 IonicContact CZ-OD1 3.77Å; R105-D247 IonicContact CZ-OD2 2.69Å; R105-D247 IonicContact NE-OD1 2.75Å; R105-D247 PolarHBondContact NE-OD1 2.74Å; R105-D247 IonicContact NE-OD2 2.73Å; R105-D247 IonicContact NH2-OD1 2.81Å; R105-D247 PolarHBondContact NH2-OD1 2.81Å; R105-D247 IonicContact NH2-OD2 2.67Å; R105-L249 HydrophobicContact CB-CD2 4.05Å; R105-L249 HydrophobicContact CG-CD2 4.24Å; R105-D427 HydrophobicContact CB-CB 4.16Å; R105-D427 WeakPolarHBondContact CB-OD2 3.35Å; R105-D427 PolarHBondContact O-N 3.27Å; R105-T431 PolarHBondContact N-OG1 3.08Å
106	L	92.4	Very high	91.1	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	102.3	167.4	-118.7	62.1	0	0	0	107.9	I241 I248 L250 M424 E425 L426	L106-I241 HydrophobicContact CD2-CD1 3.43Å; L106-I241 VanDerWaalsContact CD2-CD1 3.43Å; L106-I241 HydrophobicContact CD2-CG1 4.42Å; L106-I248 HydrophobicContact CB-CB 4.08Å; L106-I248 HydrophobicContact CB-CG2 3.89Å; L106-I248 HydrophobicContact CD2-CG2 4.12Å; L106-I248 PolarHBondContact N-O 2.94Å; L106-L250 HydrophobicContact CD1-CB 4.32Å; L106-M424 HydrophobicContact CD2-CE 3.78Å; L106-M424 HydrophobicContact CD2-SD 4.16Å; L106-M424 HydrophobicContact CG-CE 4.4Å; L106-E425 CarbonylContact C-O 3.58Å; L106-E425 WeakPolarHBondContact CA-O 3.23Å; L106-L426 HydrophobicContact CD1-CB 4.12Å; L106-L426 HydrophobicContact CD1-CD1 3.49Å; L106-L426 VanDerWaalsContact CD1-CD1 3.49Å; L106-L426 HydrophobicContact CD1-CG 4.39Å
107	K	91.5	Very high	90.9	Very high	87 Å²	87	49.6 Å²	49.6	38%	0.378	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	137.3	173	-76	168.7	170	160.9	0	109.2	M424 E425 D427	K107-M424 CarbonylContact O-C 3.59Å; K107-M424 WeakPolarHBondContact O-CA 3.47Å; K107-E425 HydrophobicContact CB-CB 4.33Å; K107-E425 PolarHBondContact N-O 2.86Å; K107-E425 PolarHBondContact O-N 2.87Å; K107-D427 WeakPolarHBondContact CE-OD1 3.3Å; K107-D427 WeakPolarHBondContact CE-OD2 3.27Å; K107-D427 IonicContact NZ-OD1 3.58Å; K107-D427 PolarHBondContact NZ-OD1 2.93Å; K107-D427 IonicContact NZ-OD2 3.13Å
108	T	88.1	Confident	90.7	Very high	56 Å²	56	50.7 Å²	50.7	34%	0.344	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	170.2	173.3	57.2	0	0	0	0	109.6	W112 I248 M424	T108-W112 HydrophobicContact CG2-CB 4.34Å; T108-W112 HydrophobicContact CG2-CD2 3.77Å; T108-W112 HydrophobicContact CG2-CE3 4.09Å; T108-W112 HydrophobicContact CG2-CG 3.9Å; T108-I248 HydrophobicContact CG2-CD1 4.19Å; T108-M424 HydrophobicContact CG2-CE 3.62Å; T108-M424 HydrophobicContact CG2-CG 4.33Å
109	K	83.4	Confident	90.5	Very high	123 Å²	123	46 Å²	46	54%	0.535	22%	0.217	S	C	.	.			trans	-61	152.5	166.3	-71.9	177	170.3	171.1	0	110.4	E111 W112 N423	K109-E111 VanDerWaalsContact C-N 3.32Å; K109-E111 PolarHBondContact O-N 3.06Å; K109-W112 HydrophobicContact CB-CB 4.43Å; K109-W112 WeakPolarHBondContact O-CB 3.41Å; K109-W112 PolarHBondContact O-N 2.77Å; K109-N423 HydrophobicContact CD-CB 4.17Å; K109-N423 VanDerWaalsContact CE-OD1 3.24Å; K109-N423 WeakPolarHBondContact CE-OD1 3.49Å; K109-N423 HydrophobicContact CG-CB 4.46Å; K109-N423 PolarHBondContact NZ-OD1 2.91Å
110	P	76.7	Confident	90.4	Very high	142 Å²	142	49.5 Å²	49.5	92%	0.922	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-43.1	-177.5	-28.7	36.2	0	0	0	113.9
111	E	79.2	Confident	90.3	Very high	181 Å²	181	47.7 Å²	47.7	85%	0.846	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	33	177.8	-57.5	-167.8	147	0	0	112.9	K109 R113	K109-E111 VanDerWaalsContact C-N 3.32Å; K109-E111 PolarHBondContact O-N 3.06Å; E111-R113 PolarHBondContact O-N 2.85Å
112	W	86.9	Confident	90.1	Very high	25 Å²	25	52.3 Å²	52.3	10%	0.095	25%	0.253	C	S	.	.			trans	-67.6	119.7	-179.1	-173	93.1	0	0	0	111.7	T108 K109 I114 T156 F193 L197 I248 W422 M424	T108-W112 HydrophobicContact CG2-CB 4.34Å; T108-W112 HydrophobicContact CG2-CD2 3.77Å; T108-W112 HydrophobicContact CG2-CE3 4.09Å; T108-W112 HydrophobicContact CG2-CG 3.9Å; K109-W112 HydrophobicContact CB-CB 4.43Å; K109-W112 WeakPolarHBondContact O-CB 3.41Å; K109-W112 PolarHBondContact O-N 2.77Å; W112-I114 HydrophobicContact CH2-CD1 3.67Å; W112-I114 HydrophobicContact CH2-CG1 3.67Å; W112-I114 HydrophobicContact CZ2-CD1 4.5Å; W112-I114 HydrophobicContact CZ2-CG1 4.12Å; W112-I114 HydrophobicContact CZ3-CD1 4.09Å; W112-I114 HydrophobicContact CZ3-CG1 4.06Å; W112-T156 HydrophobicContact CZ2-CG2 4.36Å; W112-F193 AromaticContact CZ3-CE2 3.77Å; W112-F193 HydrophobicContact CZ3-CE2 3.77Å; W112-F193 AromaticContact CZ3-CZ 3.81Å; W112-F193 HydrophobicContact CZ3-CZ 3.81Å; W112-L197 HydrophobicContact CH2-CD2 3.91Å; W112-I248 HydrophobicContact CE3-CD1 4.32Å; W112-I248 HydrophobicContact CH2-CD1 4.32Å; W112-I248 HydrophobicContact CZ3-CD1 3.8Å; W112-W422 HydrophobicContact CZ2-CE3 4.42Å; W112-W422 PolarHBondContact NE1-O 3.41Å; W112-M424 HydrophobicContact CH2-CE 3.74Å; W112-M424 HydrophobicContact CH2-SD 4.34Å; W112-M424 HydrophobicContact CZ2-CE 3.66Å; W112-M424 HydrophobicContact CZ2-CG 4.16Å; W112-M424 HydrophobicContact CZ2-SD 3.84Å; W112-M424 HydrophobicContact CZ3-CE 4.4Å
113	R	87	Confident	89.8	Confident	124 Å²	124	55.5 Å²	55.5	47%	0.468	27%	0.274	S	S	.	.			trans	-133.5	146.3	177.7	-57.5	-67.3	-75.7	-84.2	-1.1	109.2	E111 F185	E111-R113 PolarHBondContact O-N 2.85Å; R113-F185 HydrophobicContact CB-CD1 4.06Å
114	I	90	Very high	89.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127	167.5	-61.7	159.7	0	0	0	107.7	W112 F154 I186 F193 V196 W422	W112-I114 HydrophobicContact CH2-CD1 3.67Å; W112-I114 HydrophobicContact CH2-CG1 3.67Å; W112-I114 HydrophobicContact CZ2-CD1 4.5Å; W112-I114 HydrophobicContact CZ2-CG1 4.12Å; W112-I114 HydrophobicContact CZ3-CD1 4.09Å; W112-I114 HydrophobicContact CZ3-CG1 4.06Å; I114-F154 HydrophobicContact CG2-CB 4.14Å; I114-F154 HydrophobicContact CG2-CD1 4.48Å; I114-I186 HydrophobicContact CB-CB 4.34Å; I114-I186 HydrophobicContact CB-CD1 4.26Å; I114-I186 HydrophobicContact CB-CG1 4.36Å; I114-I186 HydrophobicContact CG2-CD1 3.65Å; I114-I186 HydrophobicContact CG2-CG1 4.1Å; I114-I186 PolarHBondContact O-N 3.22Å; I114-F193 HydrophobicContact CD1-CD2 3.77Å; I114-F193 HydrophobicContact CD1-CE2 3.92Å; I114-V196 HydrophobicContact CD1-CB 4Å; I114-V196 HydrophobicContact CD1-CG1 3.53Å; I114-V196 HydrophobicContact CG1-CG1 4.26Å; I114-V196 HydrophobicContact CG2-CG1 4.29Å; I114-W422 HydrophobicContact CG1-CZ3 4.33Å
115	V	91.1	Very high	89.1	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.3	175.4	-162.1	0	0	0	0	109.1	Y117 F154 T155 K158 F182 F185	V115-Y117 HydrophobicContact CB-CE2 3.74Å; V115-Y117 HydrophobicContact CG1-CD2 4.3Å; V115-Y117 HydrophobicContact CG1-CE1 4.26Å; V115-Y117 HydrophobicContact CG1-CE2 3.5Å; V115-Y117 VanDerWaalsContact CG1-CZ 3.49Å; V115-Y117 WeakPolarHBondContact CG1-OH 3.49Å; V115-F154 WeakPolarHBondContact O-CA 3.23Å; V115-T155 PolarHBondContact N-O 2.87Å; V115-T155 PolarHBondContact O-N 2.79Å; V115-K158 HydrophobicContact CG2-CB 4.49Å; V115-F182 HydrophobicContact CG1-CD2 3.86Å; V115-F182 HydrophobicContact CG1-CE2 3.58Å; V115-F185 HydrophobicContact CG2-CD1 4.02Å; V115-F185 HydrophobicContact CG2-CE1 3.95Å
116	H	92.4	Very high	88.6	Confident	15 Å²	15	64.8 Å²	64.8	7%	0.069	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.1	179.4	176.4	-151.4	0	0	0	110.3	Q152 F154 V183 G184 I186	H116-Q152 PolarHBondContact NE2-OE1 2.69Å; H116-F154 HydrophobicContact CB-CD1 3.97Å; H116-F154 HydrophobicContact CB-CE1 3.94Å; H116-F154 AromaticContact CD2-CD1 3.83Å; H116-F154 AromaticContact CD2-CE1 3.32Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.46Å; H116-F154 AromaticContact CG-CE1 3.55Å; H116-F154 AromaticContact NE2-CE1 3.98Å; H116-V183 WeakPolarHBondContact O-CB 3.34Å; H116-V183 PolarHBondContact O-N 3.16Å; H116-G184 PolarHBondContact N-O 2.85Å; H116-G184 PolarHBondContact O-N 2.9Å; H116-I186 HydrophobicContact CB-CD1 4.49Å; H116-I186 HydrophobicContact CB-CG1 4.14Å
117	Y	92.4	Very high	88.1	Confident	1 Å²	1	68.5 Å²	68.5	0%	0.004	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.8	175.7	-54.6	-94.3	0	0	0	111.5	V115 L153 T155 R157 K158 F159 I180 K181 F182	V115-Y117 HydrophobicContact CB-CE2 3.74Å; V115-Y117 HydrophobicContact CG1-CD2 4.3Å; V115-Y117 HydrophobicContact CG1-CE1 4.26Å; V115-Y117 HydrophobicContact CG1-CE2 3.5Å; V115-Y117 VanDerWaalsContact CG1-CZ 3.49Å; V115-Y117 WeakPolarHBondContact CG1-OH 3.49Å; Y117-L153 HydrophobicContact CD2-CD2 4.21Å; Y117-L153 HydrophobicContact CD2-CG 4.29Å; Y117-L153 HydrophobicContact CG-CD2 4.45Å; Y117-L153 PolarHBondContact N-O 2.66Å; Y117-L153 PolarHBondContact O-N 2.85Å; Y117-T155 HydrophobicContact CD2-CG2 4.15Å; Y117-T155 HydrophobicContact CE2-CG2 3.59Å; Y117-R157 PolarHBondContact OH-O 3.11Å; Y117-K158 VanDerWaalsContact OH-CA 3.26Å; Y117-K158 WeakPolarHBondContact OH-CA 3.49Å; Y117-F159 HydrophobicContact CD1-CD2 4.15Å; Y117-F159 HydrophobicContact CE1-CB 4.48Å; Y117-F159 AromaticContact CE1-CD2 3.46Å; Y117-F159 HydrophobicContact CE1-CD2 3.46Å; Y117-F159 VanDerWaalsContact CE1-CD2 3.46Å; Y117-F159 HydrophobicContact CE1-CE2 4.15Å; Y117-F159 HydrophobicContact CE1-CG 4.4Å; Y117-F159 HydrophobicContact CE2-CD2 4.19Å; Y117-F159 HydrophobicContact CE2-CE2 4.19Å; Y117-F159 AromaticContact CZ-CD2 3.45Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.45Å; Y117-F159 AromaticContact CZ-CE2 3.91Å; Y117-F159 WeakPolarHBondContact OH-CD2 3.29Å; Y117-F159 PolarHBondContact OH-N 2.84Å; Y117-I180 HydrophobicContact CD1-CG2 3.82Å; Y117-I180 HydrophobicContact CG-CG2 3.86Å; Y117-K181 CarbonylContact C-O 3.55Å; Y117-K181 WeakPolarHBondContact CA-O 3.2Å; Y117-K181 WeakPolarHBondContact CB-O 3.18Å; Y117-F182 HydrophobicContact CD1-CB 4.1Å; Y117-F182 HydrophobicContact CD1-CD2 4.42Å; Y117-F182 HydrophobicContact CE1-CB 4.07Å; Y117-F182 AromaticContact CE1-CD2 3.85Å; Y117-F182 HydrophobicContact CE1-CD2 3.85Å; Y117-F182 HydrophobicContact CE1-CG 4.46Å
118	H	93.3	Very high	87.7	Confident	47 Å²	47	66.7 Å²	66.7	22%	0.218	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	144.7	165.6	-164.9	74.3	0	0	0	109.8	E120 L151 I180 K181 V183	H118-E120 IonicContact CD2-OE1 3.41Å; H118-E120 PolarHBondContact CD2-OE1 2.63Å; H118-E120 IonicContact NE2-OE1 3.67Å; H118-L151 VanDerWaalsContact CE1-CD1 3.49Å; H118-L151 WeakPolarHBondContact CE1-CD1 3.49Å; H118-L151 VanDerWaalsContact CE1-CG 3.45Å; H118-L151 WeakPolarHBondContact CE1-CG 3.32Å; H118-I180 CarbonylContact O-C 3.57Å; H118-I180 WeakPolarHBondContact O-CA 3.18Å; H118-K181 HydrophobicContact CB-CB 4.47Å; H118-K181 PolarHBondContact N-O 2.83Å; H118-K181 PolarHBondContact O-N 2.76Å; H118-V183 HydrophobicContact CB-CG2 3.94Å
119	V	93.2	Very high	87.5	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	115	-176.6	-168.6	0	0	0	0	111.8	F121 L135 F148 L151 L153 I178 S179 I180	V119-F121 HydrophobicContact CB-CE2 4.28Å; V119-F121 HydrophobicContact CG1-CD2 4.43Å; V119-F121 HydrophobicContact CG1-CE2 3.6Å; V119-F121 HydrophobicContact CG1-CZ 3.69Å; V119-L135 HydrophobicContact CG1-CD1 4.43Å; V119-F148 HydrophobicContact CB-CE2 3.67Å; V119-F148 HydrophobicContact CB-CZ 4.04Å; V119-F148 HydrophobicContact CG1-CE2 4.24Å; V119-F148 HydrophobicContact CG1-CZ 4.19Å; V119-F148 HydrophobicContact CG2-CD2 4.21Å; V119-F148 HydrophobicContact CG2-CE2 3.66Å; V119-F148 HydrophobicContact CG2-CZ 4.42Å; V119-L151 PolarHBondContact N-O 2.7Å; V119-L153 HydrophobicContact CG2-CB 3.55Å; V119-L153 HydrophobicContact CG2-CD2 4.1Å; V119-L153 HydrophobicContact CG2-CG 4.46Å; V119-I178 HydrophobicContact CG1-CG2 3.38Å; V119-S179 WeakPolarHBondContact CA-O 3.4Å; V119-I180 HydrophobicContact CG1-CG1 4.22Å; V119-I180 HydrophobicContact CG2-CG1 4.39Å
120	E	92.8	Very high	87.6	Confident	74 Å²	74	71.5 Å²	71.5	35%	0.346	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	155.7	174.8	-73.7	157.9	-145.1	0	0	111.3	H118 I178 S179 K181	H118-E120 IonicContact CD2-OE1 3.41Å; H118-E120 PolarHBondContact CD2-OE1 2.63Å; H118-E120 IonicContact NE2-OE1 3.67Å; E120-I178 WeakPolarHBondContact O-CA 3.48Å; E120-S179 PolarHBondContact N-O 2.7Å; E120-S179 PolarHBondContact O-N 3.12Å; E120-K181 WeakPolarHBondContact OE1-CE 3.41Å; E120-K181 IonicContact OE1-NZ 2.66Å; E120-K181 PolarHBondContact OE1-NZ 2.81Å; E120-K181 WeakPolarHBondContact OE2-CE 3.45Å; E120-K181 IonicContact OE2-NZ 2.7Å; E120-K181 PolarHBondContact OE2-NZ 2.84Å
121	F	92	Very high	88.2	Confident	11 Å²	11	66.9 Å²	66.9	5%	0.048	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.1	-178.4	-61.5	-101.6	0	0	0	109.5	V119 P123 I125 R131 V134 L135 F148 K177 I178	V119-F121 HydrophobicContact CB-CE2 4.28Å; V119-F121 HydrophobicContact CG1-CD2 4.43Å; V119-F121 HydrophobicContact CG1-CE2 3.6Å; V119-F121 HydrophobicContact CG1-CZ 3.69Å; F121-P123 CarbonylContact C-O 3.35Å; F121-P123 CarbonylContact O-C 3.52Å; F121-I125 HydrophobicContact CB-CD1 4.36Å; F121-I125 HydrophobicContact CB-CG1 4.4Å; F121-I125 HydrophobicContact CD1-CD1 4.07Å; F121-I125 HydrophobicContact CG-CD1 4.39Å; F121-R131 HydrophobicContact CD2-CB 4.33Å; F121-R131 HydrophobicContact CD2-CG 3.88Å; F121-R131 HydrophobicContact CE1-CB 4.2Å; F121-R131 HydrophobicContact CE2-CB 3.79Å; F121-R131 HydrophobicContact CE2-CG 3.83Å; F121-R131 HydrophobicContact CG-CG 4.3Å; F121-R131 HydrophobicContact CZ-CB 3.71Å; F121-R131 HydrophobicContact CZ-CG 4.18Å; F121-V134 HydrophobicContact CD1-CG1 4.14Å; F121-V134 HydrophobicContact CE1-CB 4.34Å; F121-V134 HydrophobicContact CE1-CG1 3.99Å; F121-L135 HydrophobicContact CZ-CB 4.35Å; F121-F148 HydrophobicContact CE2-CE1 4.44Å; F121-F148 AromaticContact CE2-CZ 3.82Å; F121-F148 HydrophobicContact CE2-CZ 3.82Å; F121-F148 HydrophobicContact CZ-CE1 4Å; F121-F148 AromaticContact CZ-CZ 3.76Å; F121-F148 HydrophobicContact CZ-CZ 3.76Å; F121-K177 WeakPolarHBondContact CA-O 3.49Å; F121-I178 HydrophobicContact CD1-CG1 4.09Å; F121-I178 HydrophobicContact CD1-CG2 4.32Å; F121-I178 HydrophobicContact CE1-CD1 4.09Å; F121-I178 HydrophobicContact CE1-CG1 4.08Å; F121-I178 HydrophobicContact CE1-CG2 4.03Å; F121-I178 HydrophobicContact CZ-CG2 4.25Å
122	V	90.6	Very high	88.6	Confident	97 Å²	97	62.2 Å²	62.2	59%	0.588	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.1	170.8	-179.6	0	0	0	0	107.4	Y176 K177	V122-Y176 CarbonylContact O-C 3.57Å; V122-Y176 VanDerWaalsContact O-CA 3.23Å; V122-Y176 WeakPolarHBondContact O-CA 3.43Å; V122-K177 PolarHBondContact N-O 3.13Å; V122-K177 PolarHBondContact O-N 3.09Å
123	P	88.6	Confident	88.7	Confident	68 Å²	68	62.4 Å²	62.4	44%	0.442	32%	0.317	S	S	.	.	S	Bend	cis	-65.2	159.4	-4.8	29.7	-36.3	0	0	0	112.9	F121 I125 I174 E175	F121-P123 CarbonylContact C-O 3.35Å; F121-P123 CarbonylContact O-C 3.52Å; P123-I125 PolarHBondContact O-N 2.75Å; P123-I125 VanDerWaalsContact O-N 3.11Å; P123-I174 HydrophobicContact CG-CG2 4.28Å; P123-E175 WeakPolarHBondContact CD-O 3.23Å
124	T	88.3	Confident	88.8	Confident	118 Å²	118	57.2 Å²	57.2	72%	0.724	30%	0.299	S	S	*	.			trans	-66.5	108.7	-176.4	-54.7	0	0	0	0	111.9
125	I	86.2	Confident	88.7	Confident	29 Å²	29	57.2 Å²	57.2	15%	0.149	30%	0.299	C	S	.	.			trans	-86.9	117.6	175.8	-55.6	175	0	0	0	109.2	F121 P123 V130 R131 V134	F121-I125 HydrophobicContact CB-CD1 4.36Å; F121-I125 HydrophobicContact CB-CG1 4.4Å; F121-I125 HydrophobicContact CD1-CD1 4.07Å; F121-I125 HydrophobicContact CG-CD1 4.39Å; P123-I125 PolarHBondContact O-N 2.75Å; P123-I125 VanDerWaalsContact O-N 3.11Å; I125-V130 HydrophobicContact CD1-CG1 4.36Å; I125-V130 HydrophobicContact CG2-CB 3.71Å; I125-V130 HydrophobicContact CG2-CG1 3.78Å; I125-R131 HydrophobicContact CB-CG 3.84Å; I125-R131 HydrophobicContact CG2-CG 3.86Å; I125-R131 VanDerWaalsContact O-CZ 3.26Å; I125-R131 PolarHBondContact O-NE 2.82Å; I125-R131 PolarHBondContact O-NH2 3.42Å; I125-V134 HydrophobicContact CD1-CG2 4.04Å
126	E	84.1	Confident	88.6	Confident	156 Å²	156	59.6 Å²	59.6	73%	0.729	32%	0.316	S	S	*	.			trans	-73.2	-32.8	178.3	-66.6	-157.7	145.7	0	0	114.4	P128	E126-P128 WeakPolarHBondContact O-CD 3.34Å
127	N	83.3	Confident	88.3	Confident	81 Å²	81	64 Å²	64	43%	0.433	34%	0.339	S	S	.	.			trans	-87.7	113.7	-170.3	-173.5	-26.4	0	0	0	111.2	R129 V130 R131	N127-R129 PolarHBondContact O-N 2.89Å; N127-R129 VanDerWaalsContact O-N 3.16Å; N127-R129 WeakPolarHBondContact OD1-CB 3.47Å; N127-R129 PolarHBondContact OD1-N 3.25Å; N127-V130 HydrophobicContact CB-CB 4.31Å; N127-V130 HydrophobicContact CB-CG2 3.93Å; N127-V130 PolarHBondContact O-N 2.94Å; N127-R131 PolarHBondContact O-N 2.86Å
128	P	81.6	Confident	88.1	Confident	50 Å²	50	65.6 Å²	65.6	33%	0.325	35%	0.347	S	S	.	.	H	α-helix	trans	-60.2	-30	-176.8	-25.4	36.2	0	0	0	113.8	E126 V130 R131 M132	E126-P128 WeakPolarHBondContact O-CD 3.34Å; P128-V130 VanDerWaalsContact C-N 3.3Å; P128-V130 PolarHBondContact O-N 2.82Å; P128-R131 WeakPolarHBondContact O-CB 3.33Å; P128-R131 PolarHBondContact O-N 3.03Å; P128-M132 WeakPolarHBondContact O-CB 3.42Å; P128-M132 VanDerWaalsContact O-CG 3.23Å; P128-M132 WeakPolarHBondContact O-CG 3.25Å; P128-M132 PolarHBondContact O-N 2.96Å
129	R	84.5	Confident	87.5	Confident	209 Å²	209	64.8 Å²	64.8	79%	0.789	35%	0.348	S	S	*	.	H	α-helix	trans	-67	-34.1	177.3	-62	-176.7	-174.5	152	5.4	112.2	N127 G133	N127-R129 PolarHBondContact O-N 2.89Å; N127-R129 VanDerWaalsContact O-N 3.16Å; N127-R129 WeakPolarHBondContact OD1-CB 3.47Å; N127-R129 PolarHBondContact OD1-N 3.25Å; R129-G133 PolarHBondContact O-N 3.06Å
130	V	86.3	Confident	86.9	Confident	71 Å²	71	72.3 Å²	72.3	43%	0.43	39%	0.389	S	S	.	.	H	α-helix	trans	-72.3	-43.6	176.5	-178.3	0	0	0	0	109.4	I125 N127 P128 M132 G133 V134	I125-V130 HydrophobicContact CD1-CG1 4.36Å; I125-V130 HydrophobicContact CG2-CB 3.71Å; I125-V130 HydrophobicContact CG2-CG1 3.78Å; N127-V130 HydrophobicContact CB-CB 4.31Å; N127-V130 HydrophobicContact CB-CG2 3.93Å; N127-V130 PolarHBondContact O-N 2.94Å; P128-V130 VanDerWaalsContact C-N 3.3Å; P128-V130 PolarHBondContact O-N 2.82Å; V130-M132 VanDerWaalsContact C-N 3.32Å; V130-M132 PolarHBondContact O-N 3.39Å; V130-G133 PolarHBondContact O-N 3.16Å; V130-G133 VanDerWaalsContact O-N 3.17Å; V130-V134 HydrophobicContact CG1-CG2 4.33Å; V130-V134 WeakPolarHBondContact O-CB 3.22Å; V130-V134 WeakPolarHBondContact O-CG2 3.39Å; V130-V134 PolarHBondContact O-N 2.73Å
131	R	88.7	Confident	86.4	Confident	45 Å²	45	72 Å²	72	17%	0.17	39%	0.389	C	S	.	.	H	α-helix	trans	-53.7	-47	170.3	-65.2	-176.2	-174.6	-159.9	-4.8	112.3	F121 I125 N127 P128 V134 L135 F148 G150	F121-R131 HydrophobicContact CD2-CB 4.33Å; F121-R131 HydrophobicContact CD2-CG 3.88Å; F121-R131 HydrophobicContact CE1-CB 4.2Å; F121-R131 HydrophobicContact CE2-CB 3.79Å; F121-R131 HydrophobicContact CE2-CG 3.83Å; F121-R131 HydrophobicContact CG-CG 4.3Å; F121-R131 HydrophobicContact CZ-CB 3.71Å; F121-R131 HydrophobicContact CZ-CG 4.18Å; I125-R131 HydrophobicContact CB-CG 3.84Å; I125-R131 HydrophobicContact CG2-CG 3.86Å; I125-R131 VanDerWaalsContact O-CZ 3.26Å; I125-R131 PolarHBondContact O-NE 2.82Å; I125-R131 PolarHBondContact O-NH2 3.42Å; N127-R131 PolarHBondContact O-N 2.86Å; P128-R131 WeakPolarHBondContact O-CB 3.33Å; P128-R131 PolarHBondContact O-N 3.03Å; R131-V134 PolarHBondContact O-N 2.95Å; R131-L135 WeakPolarHBondContact O-CB 3.42Å; R131-L135 PolarHBondContact O-N 2.75Å; R131-F148 HydrophobicContact CB-CE1 4.18Å; R131-G150 WeakPolarHBondContact CD-O 3.31Å; R131-G150 PolarHBondContact NH1-O 3.36Å
132	M	88.1	Confident	85.8	Confident	83 Å²	83	71.4 Å²	71.4	41%	0.409	39%	0.387	S	S	.	.	H	α-helix	trans	-62.5	-41.2	177.9	-70.5	170.8	73.4	0	0	112.4	P128 V130 S136 F148	P128-M132 WeakPolarHBondContact O-CB 3.42Å; P128-M132 VanDerWaalsContact O-CG 3.23Å; P128-M132 WeakPolarHBondContact O-CG 3.25Å; P128-M132 PolarHBondContact O-N 2.96Å; V130-M132 VanDerWaalsContact C-N 3.32Å; V130-M132 PolarHBondContact O-N 3.39Å; M132-S136 VanDerWaalsContact O-CB 3.32Å; M132-S136 WeakPolarHBondContact O-CB 3.49Å; M132-S136 PolarHBondContact O-N 3.31Å; M132-S136 PolarHBondContact O-OG 2.91Å; M132-F148 HydrophobicContact CB-CD1 4.28Å; M132-F148 WeakPolarHBondContact CE-O 3.23Å; M132-F148 HydrophobicContact CG-CD1 3.72Å; M132-F148 HydrophobicContact CG-CE1 4.1Å
133	G	87.5	Confident	85	Confident	29 Å²	29	67.8 Å²	67.8	30%	0.299	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-49.1	174.7	0	0	0	0	0	112.4	R129 V130 L135 S136 N137	R129-G133 PolarHBondContact O-N 3.06Å; V130-G133 PolarHBondContact O-N 3.16Å; V130-G133 VanDerWaalsContact O-N 3.17Å; G133-L135 PolarHBondContact O-N 3.42Å; G133-S136 WeakPolarHBondContact CA-OG 3.42Å; G133-S136 PolarHBondContact O-N 3.38Å; G133-S136 VanDerWaalsContact O-N 3.1Å; G133-S136 PolarHBondContact O-OG 2.95Å; G133-N137 PolarHBondContact O-N 3.11Å
134	V	89	Confident	84.3	Confident	15 Å²	15	68 Å²	68	9%	0.091	37%	0.372	C	S	.	.	H	α-helix	trans	-57.6	-47.9	177.2	168.6	0	0	0	0	111.2	F121 I125 V130 R131 S136 N137 Y176 I178	F121-V134 HydrophobicContact CD1-CG1 4.14Å; F121-V134 HydrophobicContact CE1-CB 4.34Å; F121-V134 HydrophobicContact CE1-CG1 3.99Å; I125-V134 HydrophobicContact CD1-CG2 4.04Å; V130-V134 HydrophobicContact CG1-CG2 4.33Å; V130-V134 WeakPolarHBondContact O-CB 3.22Å; V130-V134 WeakPolarHBondContact O-CG2 3.39Å; V130-V134 PolarHBondContact O-N 2.73Å; R131-V134 PolarHBondContact O-N 2.95Å; V134-S136 VanDerWaalsContact C-N 3.31Å; V134-S136 PolarHBondContact O-N 3.22Å; V134-N137 WeakPolarHBondContact O-CB 3.41Å; V134-N137 PolarHBondContact O-N 2.88Å; V134-Y176 HydrophobicContact CG1-CD1 4.1Å; V134-Y176 HydrophobicContact CG1-CD2 3.61Å; V134-Y176 HydrophobicContact CG1-CE1 3.99Å; V134-Y176 HydrophobicContact CG1-CE2 3.52Å; V134-Y176 HydrophobicContact CG1-CG 3.93Å; V134-I178 HydrophobicContact CG1-CD1 4.01Å; V134-I178 HydrophobicContact CG1-CG1 4.43Å
135	L	89.3	Confident	84	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.1	-32.2	176.5	-170.6	68.5	0	0	0	112.4	V119 F121 R131 G133 N137 H138 L142 F148 L153 I178 I180	V119-L135 HydrophobicContact CG1-CD1 4.43Å; F121-L135 HydrophobicContact CZ-CB 4.35Å; R131-L135 WeakPolarHBondContact O-CB 3.42Å; R131-L135 PolarHBondContact O-N 2.75Å; G133-L135 PolarHBondContact O-N 3.42Å; L135-N137 PolarHBondContact O-N 2.94Å; L135-H138 PolarHBondContact O-N 3.24Å; L135-L142 HydrophobicContact CD1-CD1 4.26Å; L135-L142 HydrophobicContact CD1-CD2 4.36Å; L135-L142 HydrophobicContact CD2-CD1 4.19Å; L135-L142 HydrophobicContact CG-CD1 3.87Å; L135-F148 HydrophobicContact CB-CD1 4.21Å; L135-F148 HydrophobicContact CB-CE1 4.07Å; L135-F148 HydrophobicContact CD2-CB 4.08Å; L135-F148 HydrophobicContact CD2-CD1 3.39Å; L135-F148 HydrophobicContact CD2-CD2 3.75Å; L135-F148 HydrophobicContact CD2-CE1 3.63Å; L135-F148 HydrophobicContact CD2-CE2 4Å; L135-F148 HydrophobicContact CD2-CG 3.45Å; L135-F148 VanDerWaalsContact CD2-CG 3.45Å; L135-F148 HydrophobicContact CD2-CZ 3.93Å; L135-F148 HydrophobicContact CG-CD1 4.41Å; L135-F148 HydrophobicContact CG-CE1 4.48Å; L135-L153 HydrophobicContact CD2-CD1 4.39Å; L135-I178 HydrophobicContact CD1-CD1 3.9Å; L135-I178 HydrophobicContact CD1-CG2 4.1Å; L135-I180 HydrophobicContact CD1-CD1 4.15Å
136	S	87.9	Confident	84.2	Confident	53 Å²	53	62.6 Å²	62.6	37%	0.371	34%	0.336	S	S	.	.	H	α-helix	trans	-67.3	-21.1	179.3	72.3	0	0	0	0	114.6	M132 G133 V134 H138 A139 Y146	M132-S136 VanDerWaalsContact O-CB 3.32Å; M132-S136 WeakPolarHBondContact O-CB 3.49Å; M132-S136 PolarHBondContact O-N 3.31Å; M132-S136 PolarHBondContact O-OG 2.91Å; G133-S136 WeakPolarHBondContact CA-OG 3.42Å; G133-S136 PolarHBondContact O-N 3.38Å; G133-S136 VanDerWaalsContact O-N 3.1Å; G133-S136 PolarHBondContact O-OG 2.95Å; V134-S136 VanDerWaalsContact C-N 3.31Å; V134-S136 PolarHBondContact O-N 3.22Å; S136-H138 PolarHBondContact O-N 3.24Å; S136-A139 VanDerWaalsContact O-CB 3.31Å; S136-A139 WeakPolarHBondContact O-CB 3.29Å; S136-A139 PolarHBondContact O-N 2.88Å; S136-Y146 WeakPolarHBondContact CA-OH 3.45Å; S136-Y146 WeakPolarHBondContact CB-OH 3.5Å
137	N	87.7	Confident	84.4	Confident	106 Å²	106	56.3 Å²	56.3	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.5	169.8	-60.4	-26.3	0	0	0	112	G133 V134 L135	G133-N137 PolarHBondContact O-N 3.11Å; V134-N137 WeakPolarHBondContact O-CB 3.41Å; V134-N137 PolarHBondContact O-N 2.88Å; L135-N137 PolarHBondContact O-N 2.94Å
138	H	87.3	Confident	84.6	Confident	35 Å²	35	53.5 Å²	53.5	16%	0.162	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	12	-177.9	-62.5	-88.2	0	0	0	113.2	L135 S136 N140 L141 L166 S167 Y176	L135-H138 PolarHBondContact O-N 3.24Å; S136-H138 PolarHBondContact O-N 3.24Å; H138-N140 PolarHBondContact O-N 2.89Å; H138-L141 PolarHBondContact O-N 3.4Å; H138-L166 HydrophobicContact CB-CD1 3.81Å; H138-S167 PolarHBondContact CE1-O 2.95Å; H138-Y176 AromaticContact NE2-CE2 3.57Å; H138-Y176 AromaticContact NE2-CZ 3.77Å; H138-Y176 PolarHBondContact NE2-OH 3.01Å; H138-Y176 VanDerWaalsContact NE2-OH 3.07Å
139	A	81.5	Confident	84.6	Confident	30 Å²	30	54.8 Å²	54.8	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-52	-34.4	-173.6	0	0	0	0	0	114.2	S136 L141 L142 G143 Y146	S136-A139 VanDerWaalsContact O-CB 3.31Å; S136-A139 WeakPolarHBondContact O-CB 3.29Å; S136-A139 PolarHBondContact O-N 2.88Å; A139-L141 PolarHBondContact O-N 2.97Å; A139-L142 PolarHBondContact O-N 3.1Å; A139-G143 PolarHBondContact O-N 3.42Å; A139-Y146 HydrophobicContact CB-CE1 3.92Å
140	N	80.8	Confident	84.4	Confident	158 Å²	158	45 Å²	45	85%	0.845	26%	0.26	S	S	*	.	H	α-helix	trans	-56.5	-34.4	176.9	-63.2	-4.8	0	0	0	112.7	H138	H138-N140 PolarHBondContact O-N 2.89Å
141	L	80.9	Confident	84.4	Confident	67 Å²	67	44.4 Å²	44.4	35%	0.351	25%	0.254	S	S	.	.	H	α-helix	trans	-80.6	-37.1	179.2	-158.9	80.1	0	0	0	112.1	H138 A139 G143 R157 F159 T164 L166	H138-L141 PolarHBondContact O-N 3.4Å; A139-L141 PolarHBondContact O-N 2.97Å; L141-G143 PolarHBondContact O-N 3.3Å; L141-G143 VanDerWaalsContact O-N 3.15Å; L141-R157 VanDerWaalsContact O-CD 3.28Å; L141-R157 WeakPolarHBondContact O-CD 3.43Å; L141-R157 PolarHBondContact O-NH1 3.29Å; L141-F159 HydrophobicContact CD2-CE1 4.4Å; L141-F159 HydrophobicContact CG-CE1 4.27Å; L141-T164 HydrophobicContact CD2-CG2 4.32Å; L141-L166 HydrophobicContact CD2-CD1 4.21Å; L141-L166 HydrophobicContact CD2-CD2 3.39Å; L141-L166 HydrophobicContact CD2-CG 4.43Å
142	L	79.4	Confident	84.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-15.8	-178.3	-51	178.7	0	0	0	113.6	L135 A139 Y146 L153 T155 F159 I180	L135-L142 HydrophobicContact CD1-CD1 4.26Å; L135-L142 HydrophobicContact CD1-CD2 4.36Å; L135-L142 HydrophobicContact CD2-CD1 4.19Å; L135-L142 HydrophobicContact CG-CD1 3.87Å; A139-L142 PolarHBondContact O-N 3.1Å; L142-Y146 HydrophobicContact CB-CD1 4.02Å; L142-Y146 HydrophobicContact CB-CG 4.2Å; L142-Y146 HydrophobicContact CD1-CD1 3.94Å; L142-Y146 HydrophobicContact CD1-CD2 3.91Å; L142-Y146 HydrophobicContact CD1-CE1 3.86Å; L142-Y146 HydrophobicContact CD1-CE2 3.81Å; L142-Y146 HydrophobicContact CD1-CG 3.98Å; L142-L153 HydrophobicContact CD2-CD2 4.15Å; L142-T155 PolarHBondContact O-OG1 3.11Å; L142-F159 HydrophobicContact CD2-CZ 4.1Å; L142-I180 HydrophobicContact CD2-CD1 3.92Å
143	G	74	Confident	84.6	Confident	21 Å²	21	40.1 Å²	40.1	22%	0.216	24%	0.235	C	C	.	.			trans	88.5	163.7	-169.3	0	0	0	0	0	112.2	A139 L141 G145	A139-G143 PolarHBondContact O-N 3.42Å; L141-G143 PolarHBondContact O-N 3.3Å; L141-G143 VanDerWaalsContact O-N 3.15Å; G143-G145 VanDerWaalsContact C-N 3.27Å; G143-G145 PolarHBondContact O-N 2.91Å
144	S	73.9	Confident	84.8	Confident	71 Å²	71	40.3 Å²	40.3	50%	0.497	23%	0.228	S	C	.	.	S	Bend	trans	-53.3	-40.5	-177.1	42.5	0	0	0	0	113.8	D421	S144-D421 PolarHBondContact OG-O 2.78Å
145	G	82.1	Confident	85	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.			trans	-115.9	105.1	-174.9	0	0	0	0	0	112.5	G143 T155 D421	G143-G145 VanDerWaalsContact C-N 3.27Å; G143-G145 PolarHBondContact O-N 2.91Å; G145-T155 PolarHBondContact O-OG1 3.46Å; G145-D421 VanDerWaalsContact CA-O 3.25Å; G145-D421 WeakPolarHBondContact CA-O 3.22Å; G145-D421 PolarHBondContact N-O 3.01Å
146	Y	90.4	Very high	84.9	Confident	34 Å²	34	41.2 Å²	41.2	13%	0.133	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156.5	170	77.6	-84.3	0	0	0	112.7	S136 A139 L142 F148 L153 F154 R203	S136-Y146 WeakPolarHBondContact CA-OH 3.45Å; S136-Y146 WeakPolarHBondContact CB-OH 3.5Å; A139-Y146 HydrophobicContact CB-CE1 3.92Å; L142-Y146 HydrophobicContact CB-CD1 4.02Å; L142-Y146 HydrophobicContact CB-CG 4.2Å; L142-Y146 HydrophobicContact CD1-CD1 3.94Å; L142-Y146 HydrophobicContact CD1-CD2 3.91Å; L142-Y146 HydrophobicContact CD1-CE1 3.86Å; L142-Y146 HydrophobicContact CD1-CE2 3.81Å; L142-Y146 HydrophobicContact CD1-CG 3.98Å; Y146-F148 HydrophobicContact CD2-CB 4.08Å; Y146-F148 HydrophobicContact CE2-CB 4.04Å; Y146-L153 HydrophobicContact CD2-CD1 3.73Å; Y146-L153 HydrophobicContact CG-CD1 4.24Å; Y146-F154 CarbonylContact C-O 3.48Å; Y146-F154 VanDerWaalsContact CA-O 3.23Å; Y146-F154 WeakPolarHBondContact CA-O 3.44Å; Y146-F154 WeakPolarHBondContact CB-O 3.34Å; Y146-R203 PolarHBondContact O-NH1 3.44Å
147	L	88.9	Confident	84.9	Confident	25 Å²	25	43.6 Å²	43.6	13%	0.131	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.9	169.9	-73.9	171.5	0	0	0	107.9	L153 F154 V196 L199 I200 W422	L147-L153 WeakPolarHBondContact O-CA 3.4Å; L147-F154 HydrophobicContact CB-CB 4.4Å; L147-F154 HydrophobicContact CB-CD2 4.36Å; L147-F154 PolarHBondContact N-O 3.06Å; L147-F154 PolarHBondContact O-N 3.1Å; L147-V196 HydrophobicContact CD1-CG1 4.07Å; L147-L199 HydrophobicContact CD1-CB 3.47Å; L147-L199 VanDerWaalsContact CD1-CB 3.47Å; L147-L199 HydrophobicContact CD1-CD1 4.04Å; L147-L199 HydrophobicContact CD1-CG 4.42Å; L147-L199 HydrophobicContact CD2-CB 4.08Å; L147-L199 HydrophobicContact CG-CB 4.45Å; L147-I200 HydrophobicContact CD1-CG1 4.29Å; L147-W422 HydrophobicContact CB-CZ2 4.28Å; L147-W422 HydrophobicContact CD1-CH2 4.48Å; L147-W422 HydrophobicContact CD1-CZ2 4.21Å; L147-W422 HydrophobicContact CG-CH2 4.4Å; L147-W422 HydrophobicContact CG-CZ2 3.79Å
148	F	87.8	Confident	84.9	Confident	21 Å²	21	44.5 Å²	44.5	9%	0.092	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	134.7	179.5	-179.6	-121.4	0	0	0	109.8	V119 F121 R131 M132 L135 Y146 Q152 L153	V119-F148 HydrophobicContact CB-CE2 3.67Å; V119-F148 HydrophobicContact CB-CZ 4.04Å; V119-F148 HydrophobicContact CG1-CE2 4.24Å; V119-F148 HydrophobicContact CG1-CZ 4.19Å; V119-F148 HydrophobicContact CG2-CD2 4.21Å; V119-F148 HydrophobicContact CG2-CE2 3.66Å; V119-F148 HydrophobicContact CG2-CZ 4.42Å; F121-F148 HydrophobicContact CE2-CE1 4.44Å; F121-F148 AromaticContact CE2-CZ 3.82Å; F121-F148 HydrophobicContact CE2-CZ 3.82Å; F121-F148 HydrophobicContact CZ-CE1 4Å; F121-F148 AromaticContact CZ-CZ 3.76Å; F121-F148 HydrophobicContact CZ-CZ 3.76Å; R131-F148 HydrophobicContact CB-CE1 4.18Å; M132-F148 HydrophobicContact CB-CD1 4.28Å; M132-F148 WeakPolarHBondContact CE-O 3.23Å; M132-F148 HydrophobicContact CG-CD1 3.72Å; M132-F148 HydrophobicContact CG-CE1 4.1Å; L135-F148 HydrophobicContact CB-CD1 4.21Å; L135-F148 HydrophobicContact CB-CE1 4.07Å; L135-F148 HydrophobicContact CD2-CB 4.08Å; L135-F148 HydrophobicContact CD2-CD1 3.39Å; L135-F148 HydrophobicContact CD2-CD2 3.75Å; L135-F148 HydrophobicContact CD2-CE1 3.63Å; L135-F148 HydrophobicContact CD2-CE2 4Å; L135-F148 HydrophobicContact CD2-CG 3.45Å; L135-F148 VanDerWaalsContact CD2-CG 3.45Å; L135-F148 HydrophobicContact CD2-CZ 3.93Å; L135-F148 HydrophobicContact CG-CD1 4.41Å; L135-F148 HydrophobicContact CG-CE1 4.48Å; Y146-F148 HydrophobicContact CD2-CB 4.08Å; Y146-F148 HydrophobicContact CE2-CB 4.04Å; F148-Q152 WeakPolarHBondContact CA-O 3.46Å; F148-Q152 VanDerWaalsContact CD2-O 3.27Å; F148-Q152 WeakPolarHBondContact CD2-O 3.27Å; F148-L153 HydrophobicContact CB-CD1 4.28Å; F148-L153 HydrophobicContact CD2-CB 3.96Å
149	D	80.1	Confident	85	Confident	77 Å²	77	43.6 Å²	43.6	41%	0.412	23%	0.229	S	C	.	.			trans	-106.5	-4.7	-177.7	71.2	-5	0	0	0	114.3	L151 Q152	D149-L151 PolarHBondContact OD1-N 3.37Å; D149-Q152 PolarHBondContact N-O 2.77Å; D149-Q152 PolarHBondContact OD1-N 2.82Å
150	G	81.9	Confident	85.2	Confident	4 Å²	4	51.2 Å²	51.2	4%	0.041	26%	0.259	C	S	.	.	S	Bend	trans	109.6	-6	-170.3	0	0	0	0	0	114.2	R131	R131-G150 WeakPolarHBondContact CD-O 3.31Å; R131-G150 PolarHBondContact NH1-O 3.36Å
151	L	85.9	Confident	85.5	Confident	58 Å²	58	49.8 Å²	49.8	30%	0.304	25%	0.247	S	C	.	.	S	Bend	trans	-146.4	-43.3	177.7	-168.7	74	0	0	0	112.8	H118 V119 D149	H118-L151 VanDerWaalsContact CE1-CD1 3.49Å; H118-L151 WeakPolarHBondContact CE1-CD1 3.49Å; H118-L151 VanDerWaalsContact CE1-CG 3.45Å; H118-L151 WeakPolarHBondContact CE1-CG 3.32Å; V119-L151 PolarHBondContact N-O 2.7Å; D149-L151 PolarHBondContact OD1-N 3.37Å
152	Q	90	Very high	85.7	Confident	39 Å²	39	53.5 Å²	53.5	18%	0.182	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.3	-177.3	-50.9	-63.7	-9.9	0	0	110.1	H116 F148 D149 F154	H116-Q152 PolarHBondContact NE2-OE1 2.69Å; F148-Q152 WeakPolarHBondContact CA-O 3.46Å; F148-Q152 VanDerWaalsContact CD2-O 3.27Å; F148-Q152 WeakPolarHBondContact CD2-O 3.27Å; D149-Q152 PolarHBondContact N-O 2.77Å; D149-Q152 PolarHBondContact OD1-N 2.82Å; Q152-F154 HydrophobicContact CB-CE2 4.25Å; Q152-F154 HydrophobicContact CB-CZ 4.17Å
153	L	91	Very high	86.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.7	179.7	168.3	68.4	0	0	0	110.2	Y117 V119 L135 L142 Y146 L147 F148 I180	Y117-L153 HydrophobicContact CD2-CD2 4.21Å; Y117-L153 HydrophobicContact CD2-CG 4.29Å; Y117-L153 HydrophobicContact CG-CD2 4.45Å; Y117-L153 PolarHBondContact N-O 2.66Å; Y117-L153 PolarHBondContact O-N 2.85Å; V119-L153 HydrophobicContact CG2-CB 3.55Å; V119-L153 HydrophobicContact CG2-CD2 4.1Å; V119-L153 HydrophobicContact CG2-CG 4.46Å; L135-L153 HydrophobicContact CD2-CD1 4.39Å; L142-L153 HydrophobicContact CD2-CD2 4.15Å; Y146-L153 HydrophobicContact CD2-CD1 3.73Å; Y146-L153 HydrophobicContact CG-CD1 4.24Å; L147-L153 WeakPolarHBondContact O-CA 3.4Å; F148-L153 HydrophobicContact CB-CD1 4.28Å; F148-L153 HydrophobicContact CD2-CB 3.96Å; L153-I180 HydrophobicContact CD2-CD1 4.4Å; L153-I180 HydrophobicContact CD2-CG2 3.9Å
154	F	91.8	Very high	86.9	Confident	32 Å²	32	56.9 Å²	56.9	14%	0.14	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.8	173.4	-51.5	-71.2	0	0	0	109.9	I114 V115 H116 Y146 L147 Q152 I186 V196 W422	I114-F154 HydrophobicContact CG2-CB 4.14Å; I114-F154 HydrophobicContact CG2-CD1 4.48Å; V115-F154 WeakPolarHBondContact O-CA 3.23Å; H116-F154 HydrophobicContact CB-CD1 3.97Å; H116-F154 HydrophobicContact CB-CE1 3.94Å; H116-F154 AromaticContact CD2-CD1 3.83Å; H116-F154 AromaticContact CD2-CE1 3.32Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.46Å; H116-F154 AromaticContact CG-CE1 3.55Å; H116-F154 AromaticContact NE2-CE1 3.98Å; Y146-F154 CarbonylContact C-O 3.48Å; Y146-F154 VanDerWaalsContact CA-O 3.23Å; Y146-F154 WeakPolarHBondContact CA-O 3.44Å; Y146-F154 WeakPolarHBondContact CB-O 3.34Å; L147-F154 HydrophobicContact CB-CB 4.4Å; L147-F154 HydrophobicContact CB-CD2 4.36Å; L147-F154 PolarHBondContact N-O 3.06Å; L147-F154 PolarHBondContact O-N 3.1Å; Q152-F154 HydrophobicContact CB-CE2 4.25Å; Q152-F154 HydrophobicContact CB-CZ 4.17Å; F154-I186 HydrophobicContact CD1-CD1 3.69Å; F154-I186 HydrophobicContact CE1-CD1 3.76Å; F154-V196 HydrophobicContact CB-CG2 4.15Å; F154-V196 HydrophobicContact CD1-CG2 4.14Å; F154-V196 HydrophobicContact CD2-CG2 3.89Å; F154-V196 HydrophobicContact CE2-CG2 4.32Å; F154-V196 HydrophobicContact CG-CG2 3.78Å; F154-W422 HydrophobicContact CB-CH2 4.25Å; F154-W422 WeakPolarHBondContact O-CH2 3.33Å
155	T	91.4	Very high	87.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	170	176.7	175.3	0	0	0	0	109.8	V115 Y117 L142 G145 R157	V115-T155 PolarHBondContact N-O 2.87Å; V115-T155 PolarHBondContact O-N 2.79Å; Y117-T155 HydrophobicContact CD2-CG2 4.15Å; Y117-T155 HydrophobicContact CE2-CG2 3.59Å; L142-T155 PolarHBondContact O-OG1 3.11Å; G145-T155 PolarHBondContact O-OG1 3.46Å; T155-R157 HydrophobicContact CG2-CB 4.43Å; T155-R157 WeakPolarHBondContact CG2-O 3.42Å; T155-R157 PolarHBondContact OG1-N 3.3Å; T155-R157 VanDerWaalsContact OG1-N 3.16Å
156	T	87.9	Confident	88	Confident	34 Å²	34	58.5 Å²	58.5	21%	0.209	28%	0.282	C	S	.	.	S	Bend	trans	-90.1	-9.1	169	53.5	0	0	0	0	113	W112 W422 N423	W112-T156 HydrophobicContact CZ2-CG2 4.36Å; T156-W422 HydrophobicContact CG2-CE3 3.74Å; T156-W422 HydrophobicContact CG2-CZ3 4.15Å; T156-N423 PolarHBondContact OG1-ND2 3.46Å
157	R	87.8	Confident	88	Confident	104 Å²	104	60.5 Å²	60.5	39%	0.392	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-83.4	125.7	176.6	-170.8	177	-173.4	167.7	6.6	111	Y117 L141 T155	Y117-R157 PolarHBondContact OH-O 3.11Å; L141-R157 VanDerWaalsContact O-CD 3.28Å; L141-R157 WeakPolarHBondContact O-CD 3.43Å; L141-R157 PolarHBondContact O-NH1 3.29Å; T155-R157 HydrophobicContact CG2-CB 4.43Å; T155-R157 WeakPolarHBondContact CG2-O 3.42Å; T155-R157 PolarHBondContact OG1-N 3.3Å; T155-R157 VanDerWaalsContact OG1-N 3.16Å
158	K	88.4	Confident	87.9	Confident	124 Å²	124	60.4 Å²	60.4	54%	0.539	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-81.1	130.5	159.5	-154.7	-157.9	175.4	-166.8	0	108.7	V115 Y117 F185	V115-K158 HydrophobicContact CG2-CB 4.49Å; Y117-K158 VanDerWaalsContact OH-CA 3.26Å; Y117-K158 WeakPolarHBondContact OH-CA 3.49Å; K158-F185 HydrophobicContact CD-CZ 4.12Å; K158-F185 HydrophobicContact CG-CZ 4.4Å
159	F	89.1	Confident	87.7	Confident	16 Å²	16	64.3 Å²	64.3	7%	0.07	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-80.9	153.3	163.5	-61.4	-60.8	0	0	0	109.8	Y117 L141 L142 T164 I180	Y117-F159 HydrophobicContact CD1-CD2 4.15Å; Y117-F159 HydrophobicContact CE1-CB 4.48Å; Y117-F159 AromaticContact CE1-CD2 3.46Å; Y117-F159 HydrophobicContact CE1-CD2 3.46Å; Y117-F159 VanDerWaalsContact CE1-CD2 3.46Å; Y117-F159 HydrophobicContact CE1-CE2 4.15Å; Y117-F159 HydrophobicContact CE1-CG 4.4Å; Y117-F159 HydrophobicContact CE2-CD2 4.19Å; Y117-F159 HydrophobicContact CE2-CE2 4.19Å; Y117-F159 AromaticContact CZ-CD2 3.45Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.45Å; Y117-F159 AromaticContact CZ-CE2 3.91Å; Y117-F159 WeakPolarHBondContact OH-CD2 3.29Å; Y117-F159 PolarHBondContact OH-N 2.84Å; L141-F159 HydrophobicContact CD2-CE1 4.4Å; L141-F159 HydrophobicContact CG-CE1 4.27Å; L142-F159 HydrophobicContact CD2-CZ 4.1Å; F159-T164 WeakPolarHBondContact CB-OG1 3.49Å; F159-I180 HydrophobicContact CD2-CG2 4.36Å; F159-I180 HydrophobicContact CE2-CG2 4.04Å
160	E	86.1	Confident	87.7	Confident	190 Å²	190	62.4 Å²	62.4	89%	0.888	32%	0.316	S	S	*	.	S	Bend	trans	-74.3	-39.6	178.9	-70.1	155.4	-144.2	0	0	111.3
161	Q	86.1	Confident	87.5	Confident	128 Å²	128	72.6 Å²	72.6	60%	0.598	36%	0.359	S	S	*	.	S	Bend	trans	-87.2	138.7	178.7	-64.1	170.2	-9.4	0	0	111	I163	Q161-I163 VanDerWaalsContact C-N 3.26Å; Q161-I163 PolarHBondContact O-N 2.7Å
162	E	84.9	Confident	87.2	Confident	145 Å²	145	76.6 Å²	76.6	68%	0.678	38%	0.38	S	S	*	.	S	Bend	trans	-62.6	-34	173.9	-176.1	174.2	-153.7	0	0	112.1	K181 F182	E162-K181 CarbonylContact O-C 3.57Å; E162-K181 WeakPolarHBondContact O-CA 3.31Å; E162-F182 HydrophobicContact CG-CB 4.31Å; E162-F182 PolarHBondContact O-N 3.5Å
163	I	90.4	Very high	86.8	Confident	80 Å²	80	79.6 Å²	79.6	41%	0.41	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	109.7	171.6	-53.3	-173.9	0	0	0	108.5	Q161 V165 S179 I180 K181	Q161-I163 VanDerWaalsContact C-N 3.26Å; Q161-I163 PolarHBondContact O-N 2.7Å; I163-V165 HydrophobicContact CG2-CG2 4.14Å; I163-S179 VanDerWaalsContact CG2-OG 3.29Å; I163-S179 WeakPolarHBondContact CG2-OG 3.45Å; I163-I180 WeakPolarHBondContact CA-O 3.36Å; I163-K181 HydrophobicContact CD1-CD 4.41Å; I163-K181 HydrophobicContact CD1-CG 4.19Å; I163-K181 HydrophobicContact CG1-CB 4.48Å; I163-K181 HydrophobicContact CG1-CG 4.05Å; I163-K181 HydrophobicContact CG2-CG 4.17Å
164	T	89.5	Confident	86.6	Confident	13 Å²	13	84.2 Å²	84.2	8%	0.08	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	118.9	172.6	-60.1	0	0	0	0	109.1	L141 F159 L166 I180	L141-T164 HydrophobicContact CD2-CG2 4.32Å; F159-T164 WeakPolarHBondContact CB-OG1 3.49Å; T164-L166 HydrophobicContact CG2-CD2 3.91Å; T164-L166 HydrophobicContact CG2-CG 4.48Å; T164-I180 PolarHBondContact N-O 3.41Å; T164-I180 PolarHBondContact O-N 2.91Å
165	V	89.9	Confident	86.5	Confident	87 Å²	87	88.8 Å²	88.8	53%	0.527	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.3	178.9	-177.7	0	0	0	0	110.4	I163 I178	I163-V165 HydrophobicContact CG2-CG2 4.14Å; V165-I178 CarbonylContact C-O 3.52Å; V165-I178 WeakPolarHBondContact CA-O 3.45Å
166	L	89.1	Confident	86.4	Confident	17 Å²	17	89.4 Å²	89.4	9%	0.089	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.3	178.2	-50	179.8	0	0	0	110.3	H138 L141 T164 K177 I178 I180	H138-L166 HydrophobicContact CB-CD1 3.81Å; L141-L166 HydrophobicContact CD2-CD1 4.21Å; L141-L166 HydrophobicContact CD2-CD2 3.39Å; L141-L166 HydrophobicContact CD2-CG 4.43Å; T164-L166 HydrophobicContact CG2-CD2 3.91Å; T164-L166 HydrophobicContact CG2-CG 4.48Å; L166-K177 CarbonylContact O-C 3.59Å; L166-K177 WeakPolarHBondContact O-CA 3.49Å; L166-I178 HydrophobicContact CB-CB 4.23Å; L166-I178 HydrophobicContact CB-CG1 4.5Å; L166-I178 PolarHBondContact N-O 3.42Å; L166-I178 PolarHBondContact O-N 2.91Å; L166-I180 HydrophobicContact CD1-CD1 3.71Å; L166-I180 HydrophobicContact CG-CD1 4.33Å
167	S	89.6	Confident	86.6	Confident	77 Å²	77	93.5 Å²	93.5	54%	0.538	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	153.9	176.7	-60.3	0	0	0	0	111	H138 Y176	H138-S167 PolarHBondContact CE1-O 2.95Å; S167-Y176 WeakPolarHBondContact CA-O 3.43Å
168	G	86.4	Confident	86.9	Confident	23 Å²	23	88.5 Å²	88.5	24%	0.237	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	172.7	169.9	0	0	0	0	0	112.5	E175 Y176	G168-E175 WeakPolarHBondContact O-CA 3.18Å; G168-Y176 PolarHBondContact N-O 2.91Å; G168-Y176 VanDerWaalsContact O-CD1 3.23Å; G168-Y176 WeakPolarHBondContact O-CD1 3.34Å; G168-Y176 WeakPolarHBondContact O-CE1 3.3Å; G168-Y176 PolarHBondContact O-N 2.82Å
169	K	83.6	Confident	87.1	Confident	103 Å²	103	83.9 Å²	83.9	45%	0.448	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	145.5	174.3	-70.1	-167.6	169.1	-166.1	0	111.8	D173 E175 Y176	K169-D173 WeakPolarHBondContact CD-O 3.16Å; K169-D173 VanDerWaalsContact CD-OD1 3.27Å; K169-D173 WeakPolarHBondContact CD-OD1 3.37Å; K169-D173 IonicContact NZ-OD1 3.62Å; K169-D173 IonicContact NZ-OD2 3.84Å; K169-D173 PolarHBondContact NZ-OD2 2.53Å; K169-E175 HydrophobicContact CD-CG 4.28Å; K169-E175 VanDerWaalsContact CE-OE1 3.3Å; K169-E175 WeakPolarHBondContact CE-OE1 3.41Å; K169-E175 HydrophobicContact CG-CG 3.74Å; K169-Y176 VanDerWaalsContact C-CE1 3.48Å; K169-Y176 WeakPolarHBondContact O-CE1 3.28Å
170	S	80.5	Confident	87.3	Confident	37 Å²	37	83.1 Å²	83.1	26%	0.259	42%	0.421	S	S	.	.			trans	-80	175.5	175.1	77	0	0	0	0	111.6	L172 D173 I174	S170-L172 PolarHBondContact O-N 2.85Å; S170-L172 VanDerWaalsContact O-N 3.1Å; S170-L172 PolarHBondContact OG-N 3.39Å; S170-L172 VanDerWaalsContact OG-N 3.13Å; S170-D173 PolarHBondContact O-N 2.79Å; S170-I174 WeakPolarHBondContact CB-O 3.28Å; S170-I174 PolarHBondContact N-O 3.22Å; S170-I174 WeakPolarHBondContact OG-CB 3.46Å; S170-I174 PolarHBondContact OG-N 2.67Å; S170-I174 PolarHBondContact OG-O 2.84Å
171	K	77.8	Confident	87.7	Confident	217 Å²	217	77.1 Å²	77.1	94%	0.943	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-4.6	170.9	-66.9	-165.7	175.3	-165.8	0	114.4
172	L	80.3	Confident	88.1	Confident	142 Å²	142	73.7 Å²	73.7	74%	0.743	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	22.2	175.2	-59	174.8	0	0	0	110.7	S170 I174	S170-L172 PolarHBondContact O-N 2.85Å; S170-L172 VanDerWaalsContact O-N 3.1Å; S170-L172 PolarHBondContact OG-N 3.39Å; S170-L172 VanDerWaalsContact OG-N 3.13Å; L172-I174 HydrophobicContact CB-CD1 4.23Å; L172-I174 HydrophobicContact CB-CG1 4.29Å; L172-I174 PolarHBondContact O-N 2.85Å
173	D	81.5	Confident	88.5	Confident	103 Å²	103	70.6 Å²	70.6	55%	0.551	37%	0.366	S	S	*	.	S	Bend	trans	57.7	-7.6	-175	-142.7	59.4	0	0	0	117	K169 S170 E175	K169-D173 WeakPolarHBondContact CD-O 3.16Å; K169-D173 VanDerWaalsContact CD-OD1 3.27Å; K169-D173 WeakPolarHBondContact CD-OD1 3.37Å; K169-D173 IonicContact NZ-OD1 3.62Å; K169-D173 IonicContact NZ-OD2 3.84Å; K169-D173 PolarHBondContact NZ-OD2 2.53Å; S170-D173 PolarHBondContact O-N 2.79Å; D173-E175 PolarHBondContact O-N 3.35Å; D173-E175 VanDerWaalsContact O-N 3.16Å
174	I	85.9	Confident	88.5	Confident	96 Å²	96	67.6 Å²	67.6	49%	0.492	36%	0.355	S	S	.	.			trans	-51.8	120.9	172.6	-54.4	169.1	0	0	0	109.8	P123 S170 L172	P123-I174 HydrophobicContact CG-CG2 4.28Å; S170-I174 WeakPolarHBondContact CB-O 3.28Å; S170-I174 PolarHBondContact N-O 3.22Å; S170-I174 WeakPolarHBondContact OG-CB 3.46Å; S170-I174 PolarHBondContact OG-N 2.67Å; S170-I174 PolarHBondContact OG-O 2.84Å; L172-I174 HydrophobicContact CB-CD1 4.23Å; L172-I174 HydrophobicContact CB-CG1 4.29Å; L172-I174 PolarHBondContact O-N 2.85Å
175	E	89.5	Confident	88.6	Confident	128 Å²	128	71.2 Å²	71.2	60%	0.598	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	139.9	171.6	-74.7	-175.6	-171.3	0	0	111.4	P123 G168 K169 D173	P123-E175 WeakPolarHBondContact CD-O 3.23Å; G168-E175 WeakPolarHBondContact O-CA 3.18Å; K169-E175 HydrophobicContact CD-CG 4.28Å; K169-E175 VanDerWaalsContact CE-OE1 3.3Å; K169-E175 WeakPolarHBondContact CE-OE1 3.41Å; K169-E175 HydrophobicContact CG-CG 3.74Å; D173-E175 PolarHBondContact O-N 3.35Å; D173-E175 VanDerWaalsContact O-N 3.16Å
176	Y	90.5	Very high	88.5	Confident	14 Å²	14	67.2 Å²	67.2	6%	0.055	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.8	171	62.3	-96.8	0	0	0	110.9	V122 V134 H138 S167 G168 K169 I178	V122-Y176 CarbonylContact O-C 3.57Å; V122-Y176 VanDerWaalsContact O-CA 3.23Å; V122-Y176 WeakPolarHBondContact O-CA 3.43Å; V134-Y176 HydrophobicContact CG1-CD1 4.1Å; V134-Y176 HydrophobicContact CG1-CD2 3.61Å; V134-Y176 HydrophobicContact CG1-CE1 3.99Å; V134-Y176 HydrophobicContact CG1-CE2 3.52Å; V134-Y176 HydrophobicContact CG1-CG 3.93Å; H138-Y176 AromaticContact NE2-CE2 3.57Å; H138-Y176 AromaticContact NE2-CZ 3.77Å; H138-Y176 PolarHBondContact NE2-OH 3.01Å; H138-Y176 VanDerWaalsContact NE2-OH 3.07Å; S167-Y176 WeakPolarHBondContact CA-O 3.43Å; G168-Y176 PolarHBondContact N-O 2.91Å; G168-Y176 VanDerWaalsContact O-CD1 3.23Å; G168-Y176 WeakPolarHBondContact O-CD1 3.34Å; G168-Y176 WeakPolarHBondContact O-CE1 3.3Å; G168-Y176 PolarHBondContact O-N 2.82Å; K169-Y176 VanDerWaalsContact C-CE1 3.48Å; K169-Y176 WeakPolarHBondContact O-CE1 3.28Å; Y176-I178 HydrophobicContact CD2-CD1 4.23Å; Y176-I178 HydrophobicContact CD2-CG1 3.76Å; Y176-I178 HydrophobicContact CE2-CD1 3.92Å; Y176-I178 HydrophobicContact CE2-CG1 3.94Å
177	K	92	Very high	88	Confident	119 Å²	119	69 Å²	69	52%	0.517	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.7	167.1	-62.1	-177.5	-178.4	177.9	0	108.4	F121 V122 L166	F121-K177 WeakPolarHBondContact CA-O 3.49Å; V122-K177 PolarHBondContact N-O 3.13Å; V122-K177 PolarHBondContact O-N 3.09Å; L166-K177 CarbonylContact O-C 3.59Å; L166-K177 WeakPolarHBondContact O-CA 3.49Å
178	I	93.8	Very high	87.2	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130	173.2	-43.9	-179.1	0	0	0	107.1	V119 E120 F121 V134 L135 V165 L166 Y176 I180	V119-I178 HydrophobicContact CG1-CG2 3.38Å; E120-I178 WeakPolarHBondContact O-CA 3.48Å; F121-I178 HydrophobicContact CD1-CG1 4.09Å; F121-I178 HydrophobicContact CD1-CG2 4.32Å; F121-I178 HydrophobicContact CE1-CD1 4.09Å; F121-I178 HydrophobicContact CE1-CG1 4.08Å; F121-I178 HydrophobicContact CE1-CG2 4.03Å; F121-I178 HydrophobicContact CZ-CG2 4.25Å; V134-I178 HydrophobicContact CG1-CD1 4.01Å; V134-I178 HydrophobicContact CG1-CG1 4.43Å; L135-I178 HydrophobicContact CD1-CD1 3.9Å; L135-I178 HydrophobicContact CD1-CG2 4.1Å; V165-I178 CarbonylContact C-O 3.52Å; V165-I178 WeakPolarHBondContact CA-O 3.45Å; L166-I178 HydrophobicContact CB-CB 4.23Å; L166-I178 HydrophobicContact CB-CG1 4.5Å; L166-I178 PolarHBondContact N-O 3.42Å; L166-I178 PolarHBondContact O-N 2.91Å; Y176-I178 HydrophobicContact CD2-CD1 4.23Å; Y176-I178 HydrophobicContact CD2-CG1 3.76Å; Y176-I178 HydrophobicContact CE2-CD1 3.92Å; Y176-I178 HydrophobicContact CE2-CG1 3.94Å; I178-I180 HydrophobicContact CG2-CG1 4.07Å
179	S	92.9	Very high	86.4	Confident	26 Å²	26	71.2 Å²	71.2	18%	0.182	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	112.6	173.2	-175.5	0	0	0	0	109.1	V119 E120 I163	V119-S179 WeakPolarHBondContact CA-O 3.4Å; E120-S179 PolarHBondContact N-O 2.7Å; E120-S179 PolarHBondContact O-N 3.12Å; I163-S179 VanDerWaalsContact CG2-OG 3.29Å; I163-S179 WeakPolarHBondContact CG2-OG 3.45Å
180	I	94.1	Very high	86.1	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	102.9	179.9	-56.9	175.1	0	0	0	107.8	Y117 H118 V119 L135 L142 L153 F159 I163 T164 L166 I178	Y117-I180 HydrophobicContact CD1-CG2 3.82Å; Y117-I180 HydrophobicContact CG-CG2 3.86Å; H118-I180 CarbonylContact O-C 3.57Å; H118-I180 WeakPolarHBondContact O-CA 3.18Å; V119-I180 HydrophobicContact CG1-CG1 4.22Å; V119-I180 HydrophobicContact CG2-CG1 4.39Å; L135-I180 HydrophobicContact CD1-CD1 4.15Å; L142-I180 HydrophobicContact CD2-CD1 3.92Å; L153-I180 HydrophobicContact CD2-CD1 4.4Å; L153-I180 HydrophobicContact CD2-CG2 3.9Å; F159-I180 HydrophobicContact CD2-CG2 4.36Å; F159-I180 HydrophobicContact CE2-CG2 4.04Å; I163-I180 WeakPolarHBondContact CA-O 3.36Å; T164-I180 PolarHBondContact N-O 3.41Å; T164-I180 PolarHBondContact O-N 2.91Å; L166-I180 HydrophobicContact CD1-CD1 3.71Å; L166-I180 HydrophobicContact CG-CD1 4.33Å; I178-I180 HydrophobicContact CG2-CG1 4.07Å
181	K	94	Very high	85.9	Confident	65 Å²	65	69.6 Å²	69.6	28%	0.283	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.5	-177	-54.8	179.9	-177.8	167.5	0	110.3	Y117 H118 E120 E162 I163	Y117-K181 CarbonylContact C-O 3.55Å; Y117-K181 WeakPolarHBondContact CA-O 3.2Å; Y117-K181 WeakPolarHBondContact CB-O 3.18Å; H118-K181 HydrophobicContact CB-CB 4.47Å; H118-K181 PolarHBondContact N-O 2.83Å; H118-K181 PolarHBondContact O-N 2.76Å; E120-K181 WeakPolarHBondContact OE1-CE 3.41Å; E120-K181 IonicContact OE1-NZ 2.66Å; E120-K181 PolarHBondContact OE1-NZ 2.81Å; E120-K181 WeakPolarHBondContact OE2-CE 3.45Å; E120-K181 IonicContact OE2-NZ 2.7Å; E120-K181 PolarHBondContact OE2-NZ 2.84Å; E162-K181 CarbonylContact O-C 3.57Å; E162-K181 WeakPolarHBondContact O-CA 3.31Å; I163-K181 HydrophobicContact CD1-CD 4.41Å; I163-K181 HydrophobicContact CD1-CG 4.19Å; I163-K181 HydrophobicContact CG1-CB 4.48Å; I163-K181 HydrophobicContact CG1-CG 4.05Å; I163-K181 HydrophobicContact CG2-CG 4.17Å
182	F	94.1	Very high	86.2	Confident	56 Å²	56	65 Å²	65	25%	0.246	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	136.7	174.3	177.5	-95.9	0	0	0	110.6	V115 Y117 E162 F185	V115-F182 HydrophobicContact CG1-CD2 3.86Å; V115-F182 HydrophobicContact CG1-CE2 3.58Å; Y117-F182 HydrophobicContact CD1-CB 4.1Å; Y117-F182 HydrophobicContact CD1-CD2 4.42Å; Y117-F182 HydrophobicContact CE1-CB 4.07Å; Y117-F182 AromaticContact CE1-CD2 3.85Å; Y117-F182 HydrophobicContact CE1-CD2 3.85Å; Y117-F182 HydrophobicContact CE1-CG 4.46Å; E162-F182 HydrophobicContact CG-CB 4.31Å; E162-F182 PolarHBondContact O-N 3.5Å; F182-F185 HydrophobicContact CZ-CD2 4.28Å; F182-F185 HydrophobicContact CZ-CE2 4.05Å; F182-F185 HydrophobicContact CZ-CZ 4.46Å
183	V	92.5	Very high	86.4	Confident	79 Å²	79	58.5 Å²	58.5	48%	0.479	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-35.5	177.4	-178.4	0	0	0	0	111	H116 H118	H116-V183 WeakPolarHBondContact O-CB 3.34Å; H116-V183 PolarHBondContact O-N 3.16Å; H118-V183 HydrophobicContact CB-CG2 3.94Å
184	G	91.3	Very high	86.5	Confident	18 Å²	18	54.1 Å²	54.1	19%	0.186	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-170.1	176.3	0	0	0	0	0	114.4	H116	H116-G184 PolarHBondContact N-O 2.85Å; H116-G184 PolarHBondContact O-N 2.9Å
185	F	90.4	Very high	86.4	Confident	89 Å²	89	51.3 Å²	51.3	39%	0.39	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.1	167.8	-60.3	-80.7	0	0	0	109.6	R113 V115 K158 F182 S187	R113-F185 HydrophobicContact CB-CD1 4.06Å; V115-F185 HydrophobicContact CG2-CD1 4.02Å; V115-F185 HydrophobicContact CG2-CE1 3.95Å; K158-F185 HydrophobicContact CD-CZ 4.12Å; K158-F185 HydrophobicContact CG-CZ 4.4Å; F182-F185 HydrophobicContact CZ-CD2 4.28Å; F182-F185 HydrophobicContact CZ-CE2 4.05Å; F182-F185 HydrophobicContact CZ-CZ 4.46Å; F185-S187 PolarHBondContact O-N 3.23Å
186	I	87.9	Confident	86.4	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.9	173.2	-48.5	-174.8	0	0	0	109.1	I114 H116 F154 E190 R192 F193 V196	I114-I186 HydrophobicContact CB-CB 4.34Å; I114-I186 HydrophobicContact CB-CD1 4.26Å; I114-I186 HydrophobicContact CB-CG1 4.36Å; I114-I186 HydrophobicContact CG2-CD1 3.65Å; I114-I186 HydrophobicContact CG2-CG1 4.1Å; I114-I186 PolarHBondContact O-N 3.22Å; H116-I186 HydrophobicContact CB-CD1 4.49Å; H116-I186 HydrophobicContact CB-CG1 4.14Å; F154-I186 HydrophobicContact CD1-CD1 3.69Å; F154-I186 HydrophobicContact CE1-CD1 3.76Å; I186-E190 WeakPolarHBondContact CA-OE1 3.42Å; I186-E190 HydrophobicContact CG2-CB 3.83Å; I186-E190 HydrophobicContact CG2-CG 4.47Å; I186-R192 HydrophobicContact CD1-CB 4.2Å; I186-R192 HydrophobicContact CG2-CB 4.07Å; I186-F193 HydrophobicContact CG2-CB 3.81Å; I186-F193 HydrophobicContact CG2-CD2 4.32Å; I186-V196 HydrophobicContact CD1-CG2 4.19Å
187	S	80.4	Confident	86.3	Confident	55 Å²	55	44.7 Å²	44.7	39%	0.385	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-72.7	146.6	171.5	179.2	0	0	0	0	111.5	F185 A189 E190 F193	F185-S187 PolarHBondContact O-N 3.23Å; S187-A189 PolarHBondContact O-N 3.41Å; S187-A189 VanDerWaalsContact O-N 3.11Å; S187-A189 PolarHBondContact OG-N 3.39Å; S187-E190 PolarHBondContact N-OE1 3.49Å; S187-E190 WeakPolarHBondContact O-CB 3.39Å; S187-E190 PolarHBondContact O-N 3.04Å; S187-F193 WeakPolarHBondContact O-CB 3.35Å
188	C	72.7	Confident	86.1	Confident	62 Å²	62	40.3 Å²	40.3	42%	0.419	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.2	175.5	-58.2	0	0	0	0	113.1	F193 Q243	C188-F193 HydrophobicContact CB-CD1 4.39Å; C188-F193 HydrophobicContact CB-CE1 4.07Å; C188-F193 HydrophobicContact CB-CE2 4.36Å; C188-F193 HydrophobicContact CB-CZ 4.05Å; C188-F193 WeakPolarHBondContact SG-CZ 3.33Å; C188-Q243 HydrophobicContact CB-CG 4.42Å
189	A	68.6	Low	85.7	Confident	85 Å²	85	44.1 Å²	44.1	70%	0.702	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.5	174.3	0	0	0	0	0	113.8	S187	S187-A189 PolarHBondContact O-N 3.41Å; S187-A189 VanDerWaalsContact O-N 3.11Å; S187-A189 PolarHBondContact OG-N 3.39Å
190	E	77.1	Confident	85.6	Confident	59 Å²	59	42.9 Å²	42.9	28%	0.276	24%	0.237	S	C	.	.	S	Bend	trans	-76.7	144.2	-178.4	-86.6	176.7	-104.2	0	0	113	I186 S187 R192 F193	I186-E190 WeakPolarHBondContact CA-OE1 3.42Å; I186-E190 HydrophobicContact CG2-CB 3.83Å; I186-E190 HydrophobicContact CG2-CG 4.47Å; S187-E190 PolarHBondContact N-OE1 3.49Å; S187-E190 WeakPolarHBondContact O-CB 3.39Å; S187-E190 PolarHBondContact O-N 3.04Å; E190-R192 PolarHBondContact O-N 3.13Å; E190-R192 VanDerWaalsContact O-N 3.13Å; E190-F193 VanDerWaalsContact O-CB 3.29Å; E190-F193 WeakPolarHBondContact O-CB 3.4Å; E190-F193 PolarHBondContact O-N 3.33Å; E190-F193 VanDerWaalsContact O-N 3.11Å
191	P	77.1	Confident	85.3	Confident	46 Å²	46	43.2 Å²	43.2	30%	0.299	24%	0.238	S	C	.	.	H	α-helix	trans	-50.9	-38.3	169.8	-26.9	33.6	0	0	0	113.9	Y76 Y78 F193 L194 Q195	Y76-P191 VanDerWaalsContact O-CB 3.27Å; Y76-P191 WeakPolarHBondContact O-CB 3.43Å; Y76-P191 VanDerWaalsContact O-CG 3.27Å; Y76-P191 WeakPolarHBondContact O-CG 3.46Å; Y78-P191 HydrophobicContact CD2-CB 4.37Å; Y78-P191 HydrophobicContact CD2-CG 4.14Å; Y78-P191 HydrophobicContact CE2-CB 4.43Å; P191-F193 VanDerWaalsContact C-N 3.3Å; P191-F193 PolarHBondContact O-N 3.01Å; P191-L194 PolarHBondContact O-N 3.18Å; P191-Q195 WeakPolarHBondContact O-CG 3.33Å; P191-Q195 PolarHBondContact O-N 3.45Å
192	R	82.9	Confident	84.9	Confident	122 Å²	122	46.8 Å²	46.8	46%	0.46	25%	0.25	S	C	.	.	H	α-helix	trans	-64.8	-32.4	-176.7	-62.3	176.3	-179.2	169.4	1	112.2	I186 E190 L194 Q195 V196	I186-R192 HydrophobicContact CD1-CB 4.2Å; I186-R192 HydrophobicContact CG2-CB 4.07Å; E190-R192 PolarHBondContact O-N 3.13Å; E190-R192 VanDerWaalsContact O-N 3.13Å; R192-L194 PolarHBondContact O-N 2.82Å; R192-Q195 WeakPolarHBondContact O-CB 3.41Å; R192-Q195 PolarHBondContact O-N 3.11Å; R192-Q195 VanDerWaalsContact O-N 3.17Å; R192-V196 PolarHBondContact O-N 3.14Å
193	F	86.3	Confident	84.6	Confident	5 Å²	5	49 Å²	49	2%	0.022	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-48.5	176.4	-170.3	-101.6	0	0	0	110.9	W112 I114 I186 S187 C188 E190 P191 Q195 V196 L197 Q243 I248	W112-F193 AromaticContact CZ3-CE2 3.77Å; W112-F193 HydrophobicContact CZ3-CE2 3.77Å; W112-F193 AromaticContact CZ3-CZ 3.81Å; W112-F193 HydrophobicContact CZ3-CZ 3.81Å; I114-F193 HydrophobicContact CD1-CD2 3.77Å; I114-F193 HydrophobicContact CD1-CE2 3.92Å; I186-F193 HydrophobicContact CG2-CB 3.81Å; I186-F193 HydrophobicContact CG2-CD2 4.32Å; S187-F193 WeakPolarHBondContact O-CB 3.35Å; C188-F193 HydrophobicContact CB-CD1 4.39Å; C188-F193 HydrophobicContact CB-CE1 4.07Å; C188-F193 HydrophobicContact CB-CE2 4.36Å; C188-F193 HydrophobicContact CB-CZ 4.05Å; C188-F193 WeakPolarHBondContact SG-CZ 3.33Å; E190-F193 VanDerWaalsContact O-CB 3.29Å; E190-F193 WeakPolarHBondContact O-CB 3.4Å; E190-F193 PolarHBondContact O-N 3.33Å; E190-F193 VanDerWaalsContact O-N 3.11Å; P191-F193 VanDerWaalsContact C-N 3.3Å; P191-F193 PolarHBondContact O-N 3.01Å; F193-Q195 VanDerWaalsContact C-N 3.32Å; F193-Q195 PolarHBondContact O-N 2.8Å; F193-V196 PolarHBondContact O-N 3.18Å; F193-L197 HydrophobicContact CD1-CD1 3.77Å; F193-L197 HydrophobicContact CD1-CG 4.44Å; F193-L197 HydrophobicContact CE1-CD1 3.54Å; F193-L197 HydrophobicContact CE1-CG 4.38Å; F193-L197 HydrophobicContact CZ-CD1 4.3Å; F193-L197 WeakPolarHBondContact O-CG 3.27Å; F193-L197 PolarHBondContact O-N 3.02Å; F193-Q243 HydrophobicContact CE1-CB 4.23Å; F193-I248 HydrophobicContact CE1-CD1 4.43Å; F193-I248 HydrophobicContact CE1-CG1 4.5Å; F193-I248 HydrophobicContact CZ-CD1 4.1Å
194	L	82.9	Confident	84.5	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-38.8	175.9	-176.3	66.3	0	0	0	112.3	Y76 Y78 P191 R192 L197 N198 I241 R242	Y76-L194 HydrophobicContact CD1-CD2 4.05Å; Y76-L194 HydrophobicContact CE1-CD2 3.95Å; Y78-L194 WeakPolarHBondContact OH-CD2 3.27Å; P191-L194 PolarHBondContact O-N 3.18Å; R192-L194 PolarHBondContact O-N 2.82Å; L194-L197 PolarHBondContact O-N 3.11Å; L194-N198 WeakPolarHBondContact CD1-ND2 3.48Å; L194-N198 WeakPolarHBondContact CG-ND2 3.23Å; L194-N198 WeakPolarHBondContact O-CB 3.32Å; L194-N198 PolarHBondContact O-N 3.17Å; L194-N198 PolarHBondContact O-ND2 2.99Å; L194-I241 WeakPolarHBondContact CD1-O 3.07Å; L194-R242 HydrophobicContact CD1-CB 4.44Å; L194-R242 HydrophobicContact CD1-CG 3.83Å
195	Q	82.9	Confident	84.4	Confident	37 Å²	37	44.6 Å²	44.6	17%	0.173	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-47.6	179.3	-64.8	174	15.3	0	0	111	G73 Y76 P191 R192 F193 N198 L199	G73-Q195 PolarHBondContact O-NE2 2.94Å; G73-Q195 VanDerWaalsContact O-NE2 3.1Å; Y76-Q195 HydrophobicContact CD2-CG 3.75Å; Y76-Q195 HydrophobicContact CE2-CG 3.74Å; Y76-Q195 HydrophobicContact CG-CG 4.21Å; P191-Q195 WeakPolarHBondContact O-CG 3.33Å; P191-Q195 PolarHBondContact O-N 3.45Å; R192-Q195 WeakPolarHBondContact O-CB 3.41Å; R192-Q195 PolarHBondContact O-N 3.11Å; R192-Q195 VanDerWaalsContact O-N 3.17Å; F193-Q195 VanDerWaalsContact C-N 3.32Å; F193-Q195 PolarHBondContact O-N 2.8Å; Q195-N198 PolarHBondContact O-N 3.29Å; Q195-L199 WeakPolarHBondContact O-CG 3.5Å; Q195-L199 PolarHBondContact O-N 3.4Å
196	V	89.1	Confident	84.2	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-50.3	174.8	169.2	0	0	0	0	110.9	I114 L147 F154 I186 R192 F193 N198 L199 I200 W422	I114-V196 HydrophobicContact CD1-CB 4Å; I114-V196 HydrophobicContact CD1-CG1 3.53Å; I114-V196 HydrophobicContact CG1-CG1 4.26Å; I114-V196 HydrophobicContact CG2-CG1 4.29Å; L147-V196 HydrophobicContact CD1-CG1 4.07Å; F154-V196 HydrophobicContact CB-CG2 4.15Å; F154-V196 HydrophobicContact CD1-CG2 4.14Å; F154-V196 HydrophobicContact CD2-CG2 3.89Å; F154-V196 HydrophobicContact CE2-CG2 4.32Å; F154-V196 HydrophobicContact CG-CG2 3.78Å; I186-V196 HydrophobicContact CD1-CG2 4.19Å; R192-V196 PolarHBondContact O-N 3.14Å; F193-V196 PolarHBondContact O-N 3.18Å; V196-N198 VanDerWaalsContact C-N 3.3Å; V196-N198 PolarHBondContact O-N 3.48Å; V196-L199 PolarHBondContact O-N 3.13Å; V196-I200 HydrophobicContact CG1-CD1 3.71Å; V196-I200 HydrophobicContact CG1-CG1 4.31Å; V196-I200 WeakPolarHBondContact O-CG1 3.47Å; V196-I200 PolarHBondContact O-N 3.41Å; V196-W422 HydrophobicContact CG1-CH2 4.07Å; V196-W422 HydrophobicContact CG1-CZ3 4.05Å
197	L	89.7	Confident	84.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.2	-41.8	177	-73.4	-178.8	0	0	0	112.8	W112 F193 L194 I200 L201 I241 I248 M424	W112-L197 HydrophobicContact CH2-CD2 3.91Å; F193-L197 HydrophobicContact CD1-CD1 3.77Å; F193-L197 HydrophobicContact CD1-CG 4.44Å; F193-L197 HydrophobicContact CE1-CD1 3.54Å; F193-L197 HydrophobicContact CE1-CG 4.38Å; F193-L197 HydrophobicContact CZ-CD1 4.3Å; F193-L197 WeakPolarHBondContact O-CG 3.27Å; F193-L197 PolarHBondContact O-N 3.02Å; L194-L197 PolarHBondContact O-N 3.11Å; L197-I200 PolarHBondContact O-N 3.41Å; L197-L201 WeakPolarHBondContact O-CB 3.41Å; L197-L201 PolarHBondContact O-N 2.96Å; L197-I241 HydrophobicContact CB-CD1 3.92Å; L197-I241 HydrophobicContact CB-CG1 4.15Å; L197-I241 HydrophobicContact CB-CG2 4.06Å; L197-I241 HydrophobicContact CD1-CG1 4.36Å; L197-I241 HydrophobicContact CD2-CD1 4Å; L197-I241 HydrophobicContact CG-CD1 4.37Å; L197-I248 HydrophobicContact CD1-CD1 4.34Å; L197-I248 HydrophobicContact CD1-CG1 4.44Å; L197-I248 HydrophobicContact CD1-CG2 4.03Å; L197-I248 HydrophobicContact CD2-CD1 4.23Å; L197-I248 HydrophobicContact CD2-CG2 4.44Å; L197-M424 HydrophobicContact CD2-CE 3.86Å; L197-M424 HydrophobicContact CD2-SD 4.43Å
198	N	87.3	Confident	84.5	Confident	28 Å²	28	46.8 Å²	46.8	15%	0.15	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-31.4	177	-85.3	-97.9	0	0	0	112.9	L194 Q195 V196 R202	L194-N198 WeakPolarHBondContact CD1-ND2 3.48Å; L194-N198 WeakPolarHBondContact CG-ND2 3.23Å; L194-N198 WeakPolarHBondContact O-CB 3.32Å; L194-N198 PolarHBondContact O-N 3.17Å; L194-N198 PolarHBondContact O-ND2 2.99Å; Q195-N198 PolarHBondContact O-N 3.29Å; V196-N198 VanDerWaalsContact C-N 3.3Å; V196-N198 PolarHBondContact O-N 3.48Å; N198-R202 VanDerWaalsContact O-CB 3.27Å; N198-R202 WeakPolarHBondContact O-CB 3.18Å; N198-R202 WeakPolarHBondContact O-CD 3.46Å; N198-R202 WeakPolarHBondContact O-CG 3.45Å; N198-R202 PolarHBondContact O-N 3.32Å
199	L	86.3	Confident	85.3	Confident	79 Å²	79	48.4 Å²	48.4	41%	0.414	24%	0.24	S	C	.	.	H	α-helix	trans	-72.8	-39.9	174.7	-72.4	170	0	0	0	111.9	L147 Q195 V196 R202 R203	L147-L199 HydrophobicContact CD1-CB 3.47Å; L147-L199 VanDerWaalsContact CD1-CB 3.47Å; L147-L199 HydrophobicContact CD1-CD1 4.04Å; L147-L199 HydrophobicContact CD1-CG 4.42Å; L147-L199 HydrophobicContact CD2-CB 4.08Å; L147-L199 HydrophobicContact CG-CB 4.45Å; Q195-L199 WeakPolarHBondContact O-CG 3.5Å; Q195-L199 PolarHBondContact O-N 3.4Å; V196-L199 PolarHBondContact O-N 3.13Å; L199-R202 PolarHBondContact O-N 3.42Å; L199-R203 WeakPolarHBondContact O-CB 3.41Å; L199-R203 PolarHBondContact O-N 3.27Å
200	I	89.6	Confident	86.2	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-52	171.7	-63	162.7	0	0	0	109.8	L147 V196 L197 R202 R203 S204 V418 L419 W422 M424	L147-I200 HydrophobicContact CD1-CG1 4.29Å; V196-I200 HydrophobicContact CG1-CD1 3.71Å; V196-I200 HydrophobicContact CG1-CG1 4.31Å; V196-I200 WeakPolarHBondContact O-CG1 3.47Å; V196-I200 PolarHBondContact O-N 3.41Å; L197-I200 PolarHBondContact O-N 3.41Å; I200-R202 PolarHBondContact O-N 3.04Å; I200-R203 PolarHBondContact O-N 3Å; I200-S204 PolarHBondContact O-N 2.69Å; I200-V418 HydrophobicContact CG2-CG1 4.43Å; I200-L419 HydrophobicContact CG2-CD2 4.31Å; I200-W422 HydrophobicContact CD1-CD2 3.44Å; I200-W422 VanDerWaalsContact CD1-CD2 3.44Å; I200-W422 HydrophobicContact CD1-CE3 3.4Å; I200-W422 VanDerWaalsContact CD1-CE3 3.4Å; I200-W422 HydrophobicContact CD1-CG 3.94Å; I200-W422 HydrophobicContact CD1-CH2 4.26Å; I200-W422 HydrophobicContact CD1-CZ2 4.29Å; I200-W422 HydrophobicContact CD1-CZ3 3.84Å; I200-W422 HydrophobicContact CG1-CD2 3.75Å; I200-W422 HydrophobicContact CG1-CE3 4.18Å; I200-W422 HydrophobicContact CG1-CG 4.07Å; I200-W422 HydrophobicContact CG1-CZ2 4.15Å; I200-W422 HydrophobicContact CG2-CB 4.48Å; I200-W422 HydrophobicContact CG2-CG 4.19Å; I200-M424 HydrophobicContact CD1-SD 4.43Å; I200-M424 HydrophobicContact CG2-SD 4.41Å
201	L	88.7	Confident	86.5	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-48.7	178.5	-171.5	75.8	0	0	0	111.4	L197 R203 S204 M205 I241 L250	L197-L201 WeakPolarHBondContact O-CB 3.41Å; L197-L201 PolarHBondContact O-N 2.96Å; L201-R203 PolarHBondContact O-N 3.17Å; L201-S204 PolarHBondContact O-N 2.85Å; L201-M205 HydrophobicContact CD1-CE 3.57Å; L201-M205 HydrophobicContact CG-CE 4.06Å; L201-M205 HydrophobicContact CG-CG 4.18Å; L201-M205 WeakPolarHBondContact O-CB 2.95Å; L201-M205 WeakPolarHBondContact O-CG 3.34Å; L201-M205 PolarHBondContact O-N 2.81Å; L201-I241 HydrophobicContact CB-CG2 3.96Å; L201-I241 HydrophobicContact CD2-CB 4.01Å; L201-I241 HydrophobicContact CD2-CG2 3.8Å; L201-I241 HydrophobicContact CG-CG2 4.41Å; L201-L250 HydrophobicContact CD1-CD1 3.65Å; L201-L250 HydrophobicContact CD1-CD2 3.77Å; L201-L250 HydrophobicContact CD1-CG 4.32Å; L201-L250 HydrophobicContact CD2-CD1 3.72Å; L201-L250 HydrophobicContact CG-CD1 4.35Å
202	R	85.6	Confident	86.6	Confident	140 Å²	140	47.8 Å²	47.8	53%	0.528	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-30.5	176.7	-75.8	169.5	-179.1	-170.8	1.4	113.1	N198 L199 I200 K206	N198-R202 VanDerWaalsContact O-CB 3.27Å; N198-R202 WeakPolarHBondContact O-CB 3.18Å; N198-R202 WeakPolarHBondContact O-CD 3.46Å; N198-R202 WeakPolarHBondContact O-CG 3.45Å; N198-R202 PolarHBondContact O-N 3.32Å; L199-R202 PolarHBondContact O-N 3.42Å; I200-R202 PolarHBondContact O-N 3.04Å; R202-K206 WeakPolarHBondContact O-CG 3.23Å
203	R	87.1	Confident	86.2	Confident	102 Å²	102	42.3 Å²	42.3	39%	0.385	20%	0.201	S	C	.	.	H	α-helix	trans	-74	-40.6	175.2	-173.9	-178.8	174.2	168.9	-4.8	111.1	Y146 L199 I200 L201 V418	Y146-R203 PolarHBondContact O-NH1 3.44Å; L199-R203 WeakPolarHBondContact O-CB 3.41Å; L199-R203 PolarHBondContact O-N 3.27Å; I200-R203 PolarHBondContact O-N 3Å; L201-R203 PolarHBondContact O-N 3.17Å; R203-V418 HydrophobicContact CB-CG1 3.88Å; R203-V418 HydrophobicContact CG-CG1 3.82Å; R203-V418 HydrophobicContact CG-CG2 3.9Å
204	S	90.3	Very high	85.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-46.3	175.5	177.8	0	0	0	0	111.7	I200 L201 K206 G207 S415	I200-S204 PolarHBondContact O-N 2.69Å; L201-S204 PolarHBondContact O-N 2.85Å; S204-K206 PolarHBondContact O-N 3.42Å; S204-K206 VanDerWaalsContact O-N 3.09Å; S204-G207 PolarHBondContact O-N 2.73Å; S204-S415 WeakPolarHBondContact O-CA 3.4Å; S204-S415 WeakPolarHBondContact O-CB 3.38Å; S204-S415 PolarHBondContact O-OG 3.3Å; S204-S415 PolarHBondContact OG-O 2.68Å
205	M	88.6	Confident	85.1	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-18.6	-179.7	-68.4	-69.3	167.6	0	0	114.3	L201 G207 L208 L217 T239 L250 F405 L409	L201-M205 HydrophobicContact CD1-CE 3.57Å; L201-M205 HydrophobicContact CG-CE 4.06Å; L201-M205 HydrophobicContact CG-CG 4.18Å; L201-M205 WeakPolarHBondContact O-CB 2.95Å; L201-M205 WeakPolarHBondContact O-CG 3.34Å; L201-M205 PolarHBondContact O-N 2.81Å; M205-G207 VanDerWaalsContact C-N 3.28Å; M205-G207 PolarHBondContact O-N 2.86Å; M205-L208 WeakPolarHBondContact O-CB 3.48Å; M205-L208 PolarHBondContact O-N 2.88Å; M205-L208 HydrophobicContact SD-CD1 3.86Å; M205-L217 HydrophobicContact CB-CD1 3.63Å; M205-L217 HydrophobicContact CG-CD1 3.69Å; M205-L217 HydrophobicContact SD-CD1 3.88Å; M205-T239 HydrophobicContact CE-CG2 4.21Å; M205-L250 HydrophobicContact CE-CD2 4.11Å; M205-F405 HydrophobicContact CE-CE1 4.37Å; M205-F405 HydrophobicContact CE-CZ 3.77Å; M205-F405 HydrophobicContact SD-CE2 4.4Å; M205-F405 HydrophobicContact SD-CZ 3.87Å; M205-L409 HydrophobicContact CE-CD1 4.37Å; M205-L409 HydrophobicContact CE-CD2 3.64Å; M205-L409 HydrophobicContact SD-CD1 4.14Å; M205-L409 HydrophobicContact SD-CD2 4.36Å
206	K	87	Confident	85.3	Confident	163 Å²	163	54 Å²	54	71%	0.709	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-31.2	172.2	-77.7	175	179.4	-174.3	0	112.9	R202 S204 L208 N209	R202-K206 WeakPolarHBondContact O-CG 3.23Å; S204-K206 PolarHBondContact O-N 3.42Å; S204-K206 VanDerWaalsContact O-N 3.09Å; K206-L208 PolarHBondContact O-N 3.18Å; K206-N209 PolarHBondContact O-N 3.37Å
207	G	87.5	Confident	85.2	Confident	23 Å²	23	54.7 Å²	54.7	24%	0.237	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-34.8	176.4	0	0	0	0	0	112.3	S204 M205 N209 T412 S415	S204-G207 PolarHBondContact O-N 2.73Å; M205-G207 VanDerWaalsContact C-N 3.28Å; M205-G207 PolarHBondContact O-N 2.86Å; G207-N209 PolarHBondContact O-N 3.35Å; G207-N209 VanDerWaalsContact O-N 3.08Å; G207-T412 WeakPolarHBondContact O-CG2 3.26Å; G207-S415 WeakPolarHBondContact CA-OG 3.18Å
208	L	88.3	Confident	85.2	Confident	6 Å²	6	55 Å²	55	3%	0.031	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.6	176	-64.8	-174.1	0	0	0	114.5	M205 K206 L210 F405 R408 L409 S415	M205-L208 WeakPolarHBondContact O-CB 3.48Å; M205-L208 PolarHBondContact O-N 2.88Å; M205-L208 HydrophobicContact SD-CD1 3.86Å; K206-L208 PolarHBondContact O-N 3.18Å; L208-L210 VanDerWaalsContact C-N 3.33Å; L208-L210 HydrophobicContact CB-CD1 3.95Å; L208-L210 HydrophobicContact CB-CG 3.8Å; L208-L210 HydrophobicContact CD1-CD1 3.72Å; L208-L210 HydrophobicContact CD1-CG 4.49Å; L208-L210 PolarHBondContact O-N 3.44Å; L208-F405 HydrophobicContact CD1-CD2 4.45Å; L208-F405 HydrophobicContact CD1-CE2 3.72Å; L208-F405 HydrophobicContact CD1-CZ 4.35Å; L208-R408 HydrophobicContact CD2-CG 3.8Å; L208-R408 PolarHBondContact O-NH2 3.44Å; L208-L409 HydrophobicContact CD1-CD1 3.9Å; L208-L409 HydrophobicContact CD2-CB 4.32Å; L208-L409 HydrophobicContact CD2-CD1 4.08Å; L208-L409 HydrophobicContact CG-CD1 3.87Å; L208-S415 PolarHBondContact N-OG 3.39Å
209	N	88.5	Confident	85.2	Confident	97 Å²	97	54.1 Å²	54.1	52%	0.519	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	46.3	-175.5	-155.8	1.7	0	0	0	113.2	K206 G207 R221	K206-N209 PolarHBondContact O-N 3.37Å; G207-N209 PolarHBondContact O-N 3.35Å; G207-N209 VanDerWaalsContact O-N 3.08Å; N209-R221 PolarHBondContact ND2-NH2 3.13Å
210	L	88.2	Confident	85.1	Confident	17 Å²	17	51.7 Å²	51.7	9%	0.089	25%	0.252	C	S	.	.			trans	-97.9	145.6	176.5	-63	176.5	0	0	0	111.4	L208 L217 F218 D219 Y237	L208-L210 VanDerWaalsContact C-N 3.33Å; L208-L210 HydrophobicContact CB-CD1 3.95Å; L208-L210 HydrophobicContact CB-CG 3.8Å; L208-L210 HydrophobicContact CD1-CD1 3.72Å; L208-L210 HydrophobicContact CD1-CG 4.49Å; L208-L210 PolarHBondContact O-N 3.44Å; L210-L217 HydrophobicContact CB-CB 4.01Å; L210-L217 HydrophobicContact CB-CD2 4.42Å; L210-L217 HydrophobicContact CD1-CB 3.96Å; L210-F218 CarbonylContact C-O 3.59Å; L210-F218 WeakPolarHBondContact CA-O 3.32Å; L210-D219 HydrophobicContact CD2-CB 3.57Å; L210-D219 WeakPolarHBondContact CD2-OD2 3.12Å; L210-Y237 HydrophobicContact CD1-CD2 3.95Å; L210-Y237 HydrophobicContact CD1-CE2 4.27Å
211	E	83.5	Confident	84.7	Confident	64 Å²	64	61.3 Å²	61.3	30%	0.299	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.1	-179.1	-72.6	-68.4	-170.2	0	0	112.7	V213 L217 F218 P220 N297	E211-V213 PolarHBondContact O-N 2.69Å; E211-L217 CarbonylContact O-C 3.54Å; E211-L217 WeakPolarHBondContact O-CA 3.34Å; E211-F218 PolarHBondContact N-O 2.97Å; E211-F218 PolarHBondContact O-N 3.13Å; E211-P220 HydrophobicContact CB-CG 4.11Å; E211-P220 HydrophobicContact CG-CG 3.61Å; E211-N297 HydrophobicContact CB-CB 4.3Å; E211-N297 VanDerWaalsContact CD-CB 3.46Å; E211-N297 HydrophobicContact CG-CB 3.82Å; E211-N297 PolarHBondContact OE1-ND2 2.76Å
212	L	78.8	Confident	84.5	Confident	95 Å²	95	63.4 Å²	63.4	50%	0.497	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	90.8	-178.9	-179.2	62.4	0	0	0	111.1	G214 L217	L212-G214 PolarHBondContact O-N 2.91Å; L212-L217 HydrophobicContact CB-CD2 4.28Å; L212-L217 HydrophobicContact CD1-CD2 4.08Å
213	V	74.9	Confident	84.6	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	90.2	178.7	-171.6	0	0	0	0	109.9	E211 R215 N216 F218 K257 T299	E211-V213 PolarHBondContact O-N 2.69Å; V213-R215 PolarHBondContact O-N 2.65Å; V213-N216 PolarHBondContact N-O 2.74Å; V213-F218 HydrophobicContact CB-CD2 3.57Å; V213-F218 HydrophobicContact CB-CE2 3.8Å; V213-F218 HydrophobicContact CG2-CD2 3.76Å; V213-F218 HydrophobicContact CG2-CE2 4.47Å; V213-F218 HydrophobicContact CG2-CG 4.49Å; V213-K257 HydrophobicContact CG1-CD 3.93Å; V213-K257 HydrophobicContact CG1-CG 4.5Å; V213-T299 HydrophobicContact CG1-CG2 3.63Å
214	G	72.9	Confident	84.7	Confident	58 Å²	58	57.9 Å²	57.9	60%	0.598	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-85.8	-179.5	0	0	0	0	0	112.5	L212	L212-G214 PolarHBondContact O-N 2.91Å
215	R	72.6	Confident	84.6	Confident	218 Å²	218	61.5 Å²	61.5	82%	0.823	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-12.6	176.3	-67.5	-174.3	-179.7	-178.1	-0.2	114	V213	V213-R215 PolarHBondContact O-N 2.65Å
216	N	86.1	Confident	84.6	Confident	22 Å²	22	61.9 Å²	61.9	12%	0.118	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.6	-169.7	-58.1	1.6	0	0	0	109.9	V213 F218 E238 T255	V213-N216 PolarHBondContact N-O 2.74Å; N216-F218 HydrophobicContact CB-CD2 4.45Å; N216-F218 HydrophobicContact CB-CE2 3.6Å; N216-F218 HydrophobicContact CB-CZ 3.86Å; N216-F218 WeakPolarHBondContact O-CD2 3.28Å; N216-E238 PolarHBondContact ND2-OE2 3.3Å; N216-E238 WeakPolarHBondContact OD1-CG 3.39Å; N216-T255 HydrophobicContact CB-CG2 4.24Å
217	L	88	Confident	84.5	Confident	17 Å²	17	63.5 Å²	63.5	9%	0.089	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.4	-175.9	-63.7	166.9	0	0	0	109.5	M205 L210 E211 L212 G236 Y237 T239	M205-L217 HydrophobicContact CB-CD1 3.63Å; M205-L217 HydrophobicContact CG-CD1 3.69Å; M205-L217 HydrophobicContact SD-CD1 3.88Å; L210-L217 HydrophobicContact CB-CB 4.01Å; L210-L217 HydrophobicContact CB-CD2 4.42Å; L210-L217 HydrophobicContact CD1-CB 3.96Å; E211-L217 CarbonylContact O-C 3.54Å; E211-L217 WeakPolarHBondContact O-CA 3.34Å; L212-L217 HydrophobicContact CB-CD2 4.28Å; L212-L217 HydrophobicContact CD1-CD2 4.08Å; L217-G236 CarbonylContact O-C 3.58Å; L217-G236 WeakPolarHBondContact O-CA 3.2Å; L217-Y237 PolarHBondContact N-O 3.47Å; L217-Y237 PolarHBondContact O-N 2.94Å; L217-T239 HydrophobicContact CD1-CG2 4.43Å
218	F	88.8	Confident	84.4	Confident	6 Å²	6	70.3 Å²	70.3	3%	0.026	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156.1	-179.7	-63.7	-86.8	0	0	0	111.4	L210 E211 V213 N216 P220 W234 P235 T255 K257	L210-F218 CarbonylContact C-O 3.59Å; L210-F218 WeakPolarHBondContact CA-O 3.32Å; E211-F218 PolarHBondContact N-O 2.97Å; E211-F218 PolarHBondContact O-N 3.13Å; V213-F218 HydrophobicContact CB-CD2 3.57Å; V213-F218 HydrophobicContact CB-CE2 3.8Å; V213-F218 HydrophobicContact CG2-CD2 3.76Å; V213-F218 HydrophobicContact CG2-CE2 4.47Å; V213-F218 HydrophobicContact CG2-CG 4.49Å; N216-F218 HydrophobicContact CB-CD2 4.45Å; N216-F218 HydrophobicContact CB-CE2 3.6Å; N216-F218 HydrophobicContact CB-CZ 3.86Å; N216-F218 WeakPolarHBondContact O-CD2 3.28Å; F218-P220 WeakPolarHBondContact O-CD 3.46Å; F218-W234 HydrophobicContact CB-CB 4.38Å; F218-W234 HydrophobicContact CB-CE3 4.38Å; F218-W234 WeakPolarHBondContact CD1-O 3.43Å; F218-P235 WeakPolarHBondContact CA-O 3.45Å; F218-T255 HydrophobicContact CE1-CG2 3.79Å; F218-T255 HydrophobicContact CZ-CG2 3.9Å; F218-K257 HydrophobicContact CD1-CB 3.76Å; F218-K257 HydrophobicContact CE1-CB 3.61Å; F218-K257 HydrophobicContact CE2-CB 4.34Å; F218-K257 HydrophobicContact CE2-CD 4.41Å; F218-K257 HydrophobicContact CG-CB 4.23Å; F218-K257 HydrophobicContact CZ-CB 3.91Å; F218-K257 HydrophobicContact CZ-CD 4.34Å
219	D	87.9	Confident	84.2	Confident	10 Å²	10	72.3 Å²	72.3	5%	0.053	35%	0.346	C	S	.	.			trans	-109.5	100.8	175.6	-162	-44.9	0	0	0	109.7	L210 R221 A222 P235 R408	L210-D219 HydrophobicContact CD2-CB 3.57Å; L210-D219 WeakPolarHBondContact CD2-OD2 3.12Å; D219-R221 PolarHBondContact O-N 2.89Å; D219-R221 WeakPolarHBondContact OD1-CA 3.47Å; D219-R221 VanDerWaalsContact OD1-CB 3.29Å; D219-R221 WeakPolarHBondContact OD1-CB 3.38Å; D219-R221 PolarHBondContact OD1-N 2.81Å; D219-A222 HydrophobicContact CB-CB 4.06Å; D219-A222 PolarHBondContact O-N 2.83Å; D219-A222 PolarHBondContact OD1-N 2.87Å; D219-P235 PolarHBondContact N-O 2.82Å; D219-R408 IonicContact OD2-CZ 2.7Å; D219-R408 VanDerWaalsContact OD2-CZ 3.31Å; D219-R408 IonicContact OD2-NH1 2.76Å; D219-R408 PolarHBondContact OD2-NH1 3.12Å; D219-R408 IonicContact OD2-NH2 2.73Å; D219-R408 PolarHBondContact OD2-NH2 3Å
220	P	83.3	Confident	84.1	Confident	29 Å²	29	75 Å²	75	19%	0.188	35%	0.353	C	S	.	.	S	Bend	trans	-68.7	-21.3	177.9	-14.2	27.7	0	0	0	112.8	E211 F218 K223 W234	E211-P220 HydrophobicContact CB-CG 4.11Å; E211-P220 HydrophobicContact CG-CG 3.61Å; F218-P220 WeakPolarHBondContact O-CD 3.46Å; P220-K223 WeakPolarHBondContact O-CB 3.21Å; P220-K223 WeakPolarHBondContact O-CG 3.35Å; P220-K223 PolarHBondContact O-N 2.77Å; P220-W234 HydrophobicContact CB-CD2 4.21Å; P220-W234 HydrophobicContact CB-CE3 4.05Å; P220-W234 HydrophobicContact CB-CH2 3.84Å; P220-W234 HydrophobicContact CB-CZ2 4.03Å; P220-W234 HydrophobicContact CB-CZ3 3.88Å; P220-W234 HydrophobicContact CG-CE3 3.96Å; P220-W234 HydrophobicContact CG-CH2 4.05Å; P220-W234 HydrophobicContact CG-CZ3 3.66Å
221	R	83.1	Confident	84.1	Confident	202 Å²	202	74.6 Å²	74.6	76%	0.762	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-34.1	-179.6	-52.8	176.3	178.6	-166.4	-3.8	110.3	N209 D219 K223	N209-R221 PolarHBondContact ND2-NH2 3.13Å; D219-R221 PolarHBondContact O-N 2.89Å; D219-R221 WeakPolarHBondContact OD1-CA 3.47Å; D219-R221 VanDerWaalsContact OD1-CB 3.29Å; D219-R221 WeakPolarHBondContact OD1-CB 3.38Å; D219-R221 PolarHBondContact OD1-N 2.81Å; R221-K223 VanDerWaalsContact C-N 3.26Å; R221-K223 PolarHBondContact O-N 3.48Å
222	A	83.8	Confident	84.4	Confident	50 Å²	50	72 Å²	72	41%	0.413	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	24.7	172.9	0	0	0	0	0	113.9	D219 P235	D219-A222 HydrophobicContact CB-CB 4.06Å; D219-A222 PolarHBondContact O-N 2.83Å; D219-A222 PolarHBondContact OD1-N 2.87Å; A222-P235 HydrophobicContact CB-CG 3.81Å; A222-P235 WeakPolarHBondContact O-CD 3.39Å; A222-P235 VanDerWaalsContact O-CG 3.28Å; A222-P235 WeakPolarHBondContact O-CG 3.28Å
223	K	87.6	Confident	84.8	Confident	75 Å²	75	67.6 Å²	67.6	33%	0.326	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-60.8	140.5	179.2	64.3	161.4	175.6	155.4	0	112.4	P220 R221 E225 E232 W234	P220-K223 WeakPolarHBondContact O-CB 3.21Å; P220-K223 WeakPolarHBondContact O-CG 3.35Å; P220-K223 PolarHBondContact O-N 2.77Å; R221-K223 VanDerWaalsContact C-N 3.26Å; R221-K223 PolarHBondContact O-N 3.48Å; K223-E225 HydrophobicContact CD-CG 4.46Å; K223-E225 WeakPolarHBondContact CE-OE1 3.48Å; K223-E225 IonicContact NZ-OE1 2.81Å; K223-E225 PolarHBondContact NZ-OE1 3.47Å; K223-E232 HydrophobicContact CD-CG 4.01Å; K223-E232 WeakPolarHBondContact CD-OE2 3.15Å; K223-E232 VanDerWaalsContact NZ-CD 3.34Å; K223-E232 IonicContact NZ-OE1 2.92Å; K223-E232 PolarHBondContact NZ-OE1 3.04Å; K223-E232 IonicContact NZ-OE2 3.42Å; K223-W234 HydrophobicContact CB-CG 4.45Å
224	I	88.3	Confident	85.5	Confident	52 Å²	52	67.7 Å²	67.7	27%	0.267	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.7	172.7	-56.7	179.5	0	0	0	108.2	E232 L233 Y390	I224-E232 CarbonylContact O-C 3.58Å; I224-E232 WeakPolarHBondContact O-CA 3.35Å; I224-L233 HydrophobicContact CB-CB 4.38Å; I224-L233 HydrophobicContact CD1-CD2 4.4Å; I224-L233 PolarHBondContact N-O 3.17Å; I224-L233 PolarHBondContact O-N 3.39Å; I224-Y390 HydrophobicContact CD1-CD1 3.81Å; I224-Y390 HydrophobicContact CD1-CE1 4.4Å; I224-Y390 HydrophobicContact CD1-CG 4.32Å; I224-Y390 HydrophobicContact CG2-CD1 4.03Å; I224-Y390 HydrophobicContact CG2-CD2 4.44Å; I224-Y390 HydrophobicContact CG2-CE1 3.82Å; I224-Y390 HydrophobicContact CG2-CE2 4.25Å; I224-Y390 HydrophobicContact CG2-CG 4.34Å
225	E	88.8	Confident	86.4	Confident	77 Å²	77	66.2 Å²	66.2	36%	0.36	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	127.2	177.8	-58.4	-164.2	153.3	0	0	111.7	K223 R227 E232	K223-E225 HydrophobicContact CD-CG 4.46Å; K223-E225 WeakPolarHBondContact CE-OE1 3.48Å; K223-E225 IonicContact NZ-OE1 2.81Å; K223-E225 PolarHBondContact NZ-OE1 3.47Å; E225-R227 HydrophobicContact CB-CG 4.16Å; E225-R227 IonicContact OE2-CZ 2.7Å; E225-R227 IonicContact OE2-NE 2.69Å; E225-R227 PolarHBondContact OE2-NE 3.28Å; E225-R227 IonicContact OE2-NH2 2.68Å; E225-R227 PolarHBondContact OE2-NH2 2.93Å; E225-E232 HydrophobicContact CG-CG 4.47Å
226	I	88.1	Confident	87.2	Confident	12 Å²	12	55.9 Å²	55.9	6%	0.062	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	73.9	173.7	-49.1	-178.6	0	0	0	107.2	E228 F229 K230 M231 M387 Y390	I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.26Å; I226-F229 HydrophobicContact CG2-CD2 3.82Å; I226-F229 PolarHBondContact O-N 2.87Å; I226-F229 VanDerWaalsContact O-N 3.17Å; I226-K230 PolarHBondContact O-N 3.48Å; I226-M231 CarbonylContact C-O 3.52Å; I226-M231 WeakPolarHBondContact CA-O 3.31Å; I226-M231 PolarHBondContact N-O 2.63Å; I226-M231 PolarHBondContact O-N 2.74Å; I226-M387 HydrophobicContact CD1-CG 3.89Å; I226-Y390 HydrophobicContact CD1-CD2 4.13Å; I226-Y390 HydrophobicContact CD1-CE2 4.25Å; I226-Y390 HydrophobicContact CG1-CE2 4.35Å
227	R	85.1	Confident	87.5	Confident	196 Å²	196	56.5 Å²	56.5	74%	0.74	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-59.2	-40.1	-168.7	-65.8	-176.9	176.3	-179.8	-1.6	113.2	E225 F229 K230	E225-R227 HydrophobicContact CB-CG 4.16Å; E225-R227 IonicContact OE2-CZ 2.7Å; E225-R227 IonicContact OE2-NE 2.69Å; E225-R227 PolarHBondContact OE2-NE 3.28Å; E225-R227 IonicContact OE2-NH2 2.68Å; E225-R227 PolarHBondContact OE2-NH2 2.93Å; R227-F229 PolarHBondContact O-N 3.31Å; R227-F229 VanDerWaalsContact O-N 3.1Å; R227-K230 PolarHBondContact O-N 3.04Å
228	E	85.9	Confident	87.6	Confident	166 Å²	166	58.5 Å²	58.5	78%	0.776	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-47.5	-37.7	175.5	-64.8	172.3	-173.2	0	0	113.5	I226	I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.26Å
229	F	84.9	Confident	87.7	Confident	48 Å²	48	59.6 Å²	59.6	21%	0.211	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-112.9	15.7	-176.2	-57.4	-79.2	0	0	0	113	I226 R227 M231 Q382 L383 A386	I226-F229 HydrophobicContact CG2-CD2 3.82Å; I226-F229 PolarHBondContact O-N 2.87Å; I226-F229 VanDerWaalsContact O-N 3.17Å; R227-F229 PolarHBondContact O-N 3.31Å; R227-F229 VanDerWaalsContact O-N 3.1Å; F229-M231 VanDerWaalsContact C-N 3.3Å; F229-M231 HydrophobicContact CB-CE 3.7Å; F229-M231 WeakPolarHBondContact O-CE 3.26Å; F229-M231 PolarHBondContact O-N 3.37Å; F229-Q382 HydrophobicContact CE1-CB 4.3Å; F229-Q382 HydrophobicContact CZ-CB 3.87Å; F229-L383 HydrophobicContact CB-CD1 3.82Å; F229-L383 HydrophobicContact CD1-CB 3.82Å; F229-L383 HydrophobicContact CD1-CD1 4.33Å; F229-L383 HydrophobicContact CD1-CG 4.48Å; F229-L383 HydrophobicContact CD2-CD1 4.18Å; F229-L383 HydrophobicContact CE1-CB 3.92Å; F229-L383 HydrophobicContact CG-CB 4.15Å; F229-L383 HydrophobicContact CG-CD1 3.85Å; F229-L383 HydrophobicContact CG-CG 4.48Å; F229-L383 HydrophobicContact CZ-CB 4.34Å; F229-A386 HydrophobicContact CD2-CB 4.35Å; F229-A386 HydrophobicContact CE2-CB 3.92Å
230	K	85.9	Confident	87.7	Confident	155 Å²	155	60.8 Å²	60.8	67%	0.674	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	48	-177.9	-61.1	-174	178.6	-175.9	0	113.1	I226 R227 T261	I226-K230 PolarHBondContact O-N 3.48Å; R227-K230 PolarHBondContact O-N 3.04Å; K230-T261 WeakPolarHBondContact O-CB 3.21Å; K230-T261 PolarHBondContact O-N 3.35Å; K230-T261 PolarHBondContact O-OG1 2.88Å
231	M	87.3	Confident	87.9	Confident	7 Å²	7	59.6 Å²	59.6	3%	0.034	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.2	179.6	-98.5	167.1	-78.4	0	0	112.7	I226 F229 V258 M259 R260 L373 M377 L383 M387	I226-M231 CarbonylContact C-O 3.52Å; I226-M231 WeakPolarHBondContact CA-O 3.31Å; I226-M231 PolarHBondContact N-O 2.63Å; I226-M231 PolarHBondContact O-N 2.74Å; F229-M231 VanDerWaalsContact C-N 3.3Å; F229-M231 HydrophobicContact CB-CE 3.7Å; F229-M231 WeakPolarHBondContact O-CE 3.26Å; F229-M231 PolarHBondContact O-N 3.37Å; M231-V258 HydrophobicContact CG-CG1 4.19Å; M231-V258 HydrophobicContact SD-CG1 3.73Å; M231-M259 CarbonylContact C-O 3.53Å; M231-M259 WeakPolarHBondContact CA-O 3.45Å; M231-M259 WeakPolarHBondContact CG-O 3.45Å; M231-R260 HydrophobicContact CG-CG 4.29Å; M231-L373 HydrophobicContact SD-CD2 3.73Å; M231-M377 HydrophobicContact CE-CE 3.33Å; M231-M377 HydrophobicContact CG-CE 4.48Å; M231-M377 HydrophobicContact SD-CE 3.41Å; M231-M377 WeakPolarHBondContact SD-CE 3.39Å; M231-L383 HydrophobicContact CE-CD1 3.45Å; M231-L383 VanDerWaalsContact CE-CD1 3.45Å; M231-L383 HydrophobicContact CE-CD2 3.69Å; M231-L383 HydrophobicContact CE-CG 4.23Å; M231-L383 HydrophobicContact SD-CD1 4.11Å; M231-M387 HydrophobicContact SD-SD 4.36Å
232	E	89.3	Confident	88.1	Confident	11 Å²	11	53.2 Å²	53.2	5%	0.051	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	153.4	164.8	-66.1	176.1	-163.8	0	0	109.2	K223 I224 E225 W234 M259 R369	K223-E232 HydrophobicContact CD-CG 4.01Å; K223-E232 WeakPolarHBondContact CD-OE2 3.15Å; K223-E232 VanDerWaalsContact NZ-CD 3.34Å; K223-E232 IonicContact NZ-OE1 2.92Å; K223-E232 PolarHBondContact NZ-OE1 3.04Å; K223-E232 IonicContact NZ-OE2 3.42Å; I224-E232 CarbonylContact O-C 3.58Å; I224-E232 WeakPolarHBondContact O-CA 3.35Å; E225-E232 HydrophobicContact CG-CG 4.47Å; E232-W234 PolarHBondContact OE2-NE1 3.07Å; E232-M259 HydrophobicContact CB-CB 4.05Å; E232-M259 PolarHBondContact N-O 2.75Å; E232-M259 PolarHBondContact O-N 3.05Å; E232-M259 VanDerWaalsContact O-O 3.07Å; E232-R369 IonicContact OE1-CZ 3.19Å; E232-R369 IonicContact OE1-NH1 2.81Å; E232-R369 PolarHBondContact OE1-NH1 2.7Å; E232-R369 IonicContact OE1-NH2 3.05Å; E232-R369 PolarHBondContact OE1-NH2 3.16Å; E232-R369 IonicContact OE2-NH1 3.58Å; E232-R369 IonicContact OE2-NH2 2.79Å
233	L	89.1	Confident	88.2	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	108.4	175.8	-175.9	164.7	0	0	0	107.6	I224 H256 K257 T391	I224-L233 HydrophobicContact CB-CB 4.38Å; I224-L233 HydrophobicContact CD1-CD2 4.4Å; I224-L233 PolarHBondContact N-O 3.17Å; I224-L233 PolarHBondContact O-N 3.39Å; L233-H256 HydrophobicContact CD2-CB 3.77Å; L233-H256 VanDerWaalsContact CD2-CD2 3.44Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.36Å; L233-H256 HydrophobicContact CG-CB 4.15Å; L233-K257 WeakPolarHBondContact CA-O 3.38Å; L233-T391 HydrophobicContact CD1-CG2 3.86Å
234	W	89.8	Confident	88.4	Confident	10 Å²	10	49.6 Å²	49.6	4%	0.038	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	121.2	179.5	-60.8	5.6	0	0	0	108.8	F218 P220 K223 E232 H256 K257 M259 L292 N297	F218-W234 HydrophobicContact CB-CB 4.38Å; F218-W234 HydrophobicContact CB-CE3 4.38Å; F218-W234 WeakPolarHBondContact CD1-O 3.43Å; P220-W234 HydrophobicContact CB-CD2 4.21Å; P220-W234 HydrophobicContact CB-CE3 4.05Å; P220-W234 HydrophobicContact CB-CH2 3.84Å; P220-W234 HydrophobicContact CB-CZ2 4.03Å; P220-W234 HydrophobicContact CB-CZ3 3.88Å; P220-W234 HydrophobicContact CG-CE3 3.96Å; P220-W234 HydrophobicContact CG-CH2 4.05Å; P220-W234 HydrophobicContact CG-CZ3 3.66Å; K223-W234 HydrophobicContact CB-CG 4.45Å; E232-W234 PolarHBondContact OE2-NE1 3.07Å; W234-H256 WeakPolarHBondContact O-CA 3.31Å; W234-K257 HydrophobicContact CB-CB 4.29Å; W234-K257 PolarHBondContact N-O 2.84Å; W234-K257 PolarHBondContact O-N 2.86Å; W234-M259 HydrophobicContact CD2-CG 4.08Å; W234-M259 HydrophobicContact CG-CG 4.17Å; W234-L292 HydrophobicContact CH2-CD2 3.4Å; W234-L292 HydrophobicContact CZ2-CD2 4.01Å; W234-L292 HydrophobicContact CZ3-CD2 3.94Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.12Å
235	P	90	Very high	88.3	Confident	27 Å²	27	49 Å²	49	18%	0.175	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	153.3	173.2	32.2	-35.2	0	0	0	110.6	F218 D219 A222	F218-P235 WeakPolarHBondContact CA-O 3.45Å; D219-P235 PolarHBondContact N-O 2.82Å; A222-P235 HydrophobicContact CB-CG 3.81Å; A222-P235 WeakPolarHBondContact O-CD 3.39Å; A222-P235 VanDerWaalsContact O-CG 3.28Å; A222-P235 WeakPolarHBondContact O-CG 3.28Å
236	G	91.3	Very high	88.1	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	-174.4	-178.8	0	0	0	0	0	114.4	L217 T255	L217-G236 CarbonylContact O-C 3.58Å; L217-G236 WeakPolarHBondContact O-CA 3.2Å; G236-T255 CarbonylContact C-O 3.6Å; G236-T255 PolarHBondContact N-O 3.15Å; G236-T255 PolarHBondContact O-N 3.26Å; G236-T255 VanDerWaalsContact O-O 3.1Å
237	Y	90.9	Very high	88.1	Confident	35 Å²	35	54.3 Å²	54.3	14%	0.137	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.8	-168.4	-52.6	-79.4	0	0	0	109.6	L210 L217 T252 E253 I254 F405	L210-Y237 HydrophobicContact CD1-CD2 3.95Å; L210-Y237 HydrophobicContact CD1-CE2 4.27Å; L217-Y237 PolarHBondContact N-O 3.47Å; L217-Y237 PolarHBondContact O-N 2.94Å; Y237-T252 HydrophobicContact CD1-CG2 3.9Å; Y237-T252 HydrophobicContact CG-CG2 4.37Å; Y237-E253 WeakPolarHBondContact CA-O 3.4Å; Y237-I254 HydrophobicContact CD1-CD1 3.78Å; Y237-I254 HydrophobicContact CE1-CD1 3.54Å; Y237-F405 HydrophobicContact CD1-CB 4.17Å; Y237-F405 HydrophobicContact CD1-CD1 4.47Å; Y237-F405 AromaticContact CD1-CD2 3.51Å; Y237-F405 HydrophobicContact CD1-CD2 3.51Å; Y237-F405 AromaticContact CD1-CE2 3.94Å; Y237-F405 HydrophobicContact CD1-CE2 3.94Å; Y237-F405 AromaticContact CD1-CG 3.79Å; Y237-F405 HydrophobicContact CD1-CG 3.79Å; Y237-F405 AromaticContact CD2-CD2 3.67Å; Y237-F405 HydrophobicContact CD2-CD2 3.67Å; Y237-F405 AromaticContact CD2-CE2 3.68Å; Y237-F405 HydrophobicContact CD2-CE2 3.68Å; Y237-F405 HydrophobicContact CE1-CB 3.57Å; Y237-F405 AromaticContact CE1-CD2 3.45Å; Y237-F405 HydrophobicContact CE1-CD2 3.45Å; Y237-F405 VanDerWaalsContact CE1-CD2 3.45Å; Y237-F405 HydrophobicContact CE1-CE2 4.3Å; Y237-F405 AromaticContact CE1-CG 3.66Å; Y237-F405 HydrophobicContact CE1-CG 3.66Å; Y237-F405 AromaticContact CE2-CD2 3.62Å; Y237-F405 HydrophobicContact CE2-CD2 3.62Å; Y237-F405 HydrophobicContact CE2-CE2 4.07Å; Y237-F405 AromaticContact CG-CD2 3.63Å; Y237-F405 HydrophobicContact CG-CD2 3.63Å; Y237-F405 AromaticContact CG-CE2 3.62Å; Y237-F405 HydrophobicContact CG-CE2 3.62Å; Y237-F405 HydrophobicContact CG-CG 4.33Å; Y237-F405 HydrophobicContact CG-CZ 4.33Å; Y237-F405 AromaticContact CZ-CD2 3.51Å
238	E	91	Very high	88.5	Confident	59 Å²	59	45.4 Å²	45.4	28%	0.276	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	111.7	164	-172.7	153.5	165	0	0	107.6	N216 T252 E253 T255 N731	N216-E238 PolarHBondContact ND2-OE2 3.3Å; N216-E238 WeakPolarHBondContact OD1-CG 3.39Å; E238-T252 WeakPolarHBondContact O-CA 3.14Å; E238-E253 PolarHBondContact N-O 2.96Å; E238-E253 PolarHBondContact O-N 2.89Å; E238-T255 HydrophobicContact CB-CG2 4.23Å; E238-N731 VanDerWaalsContact CD-ND2 3.29Å; E238-N731 PolarHBondContact OE1-ND2 3.45Å
239	T	89.9	Confident	88.8	Confident	28 Å²	28	37.5 Å²	37.5	17%	0.172	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.5	-171.2	58.2	0	0	0	0	111.1	M205 L217 G251 T252 F405	M205-T239 HydrophobicContact CE-CG2 4.21Å; L217-T239 HydrophobicContact CD1-CG2 4.43Å; T239-G251 WeakPolarHBondContact CA-O 3.21Å; T239-T252 HydrophobicContact CG2-CG2 4.27Å; T239-F405 HydrophobicContact CG2-CZ 4.29Å
240	S	87.8	Confident	89.3	Confident	36 Å²	36	35.3 Å²	35.3	25%	0.252	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	113.2	173.5	59	0	0	0	0	111.2	G251	S240-G251 PolarHBondContact N-O 2.9Å; S240-G251 PolarHBondContact O-N 3.3Å
241	I	88.9	Confident	89.6	Confident	3 Å²	3	28 Å²	28	2%	0.015	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.2	166.7	-175	168.8	0	0	0	109.4	L106 L194 L197 L201 I248 L249 L250	L106-I241 HydrophobicContact CD2-CD1 3.43Å; L106-I241 VanDerWaalsContact CD2-CD1 3.43Å; L106-I241 HydrophobicContact CD2-CG1 4.42Å; L194-I241 WeakPolarHBondContact CD1-O 3.07Å; L197-I241 HydrophobicContact CB-CD1 3.92Å; L197-I241 HydrophobicContact CB-CG1 4.15Å; L197-I241 HydrophobicContact CB-CG2 4.06Å; L197-I241 HydrophobicContact CD1-CG1 4.36Å; L197-I241 HydrophobicContact CD2-CD1 4Å; L197-I241 HydrophobicContact CG-CD1 4.37Å; L201-I241 HydrophobicContact CB-CG2 3.96Å; L201-I241 HydrophobicContact CD2-CB 4.01Å; L201-I241 HydrophobicContact CD2-CG2 3.8Å; L201-I241 HydrophobicContact CG-CG2 4.41Å; I241-I248 HydrophobicContact CD1-CG2 4.02Å; I241-I248 HydrophobicContact CG1-CG2 3.83Å; I241-L249 WeakPolarHBondContact CA-O 3.17Å; I241-L250 HydrophobicContact CB-CD1 4.43Å
242	R	85.9	Confident	89.9	Confident	69 Å²	69	27.7 Å²	27.7	26%	0.26	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	158	174.5	-72.5	-171.2	171.2	-93.4	-13	111.2	Y78 L194 I248 L249	Y78-R242 PolarHBondContact OH-NH1 2.87Å; L194-R242 HydrophobicContact CD1-CB 4.44Å; L194-R242 HydrophobicContact CD1-CG 3.83Å; R242-I248 WeakPolarHBondContact O-CA 3.31Å; R242-L249 PolarHBondContact N-O 3.1Å; R242-L249 PolarHBondContact O-N 2.81Å
243	Q	87.2	Confident	90	Very high	41 Å²	41	27.7 Å²	27.7	19%	0.192	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.1	154.8	-177.2	62.5	38.2	0	0	108.7	C188 F193 K246 P754	C188-Q243 HydrophobicContact CB-CG 4.42Å; F193-Q243 HydrophobicContact CE1-CB 4.23Å; Q243-K246 VanDerWaalsContact NE2-C 3.29Å; Q243-K246 PolarHBondContact NE2-O 2.81Å; Q243-P754 HydrophobicContact CG-CG 4.42Å
244	H	90.1	Very high	90.1	Very high	7 Å²	7	28.2 Å²	28.2	3%	0.032	14%	0.136	C	C	.	.			trans	-117.9	-171.2	169.9	-73.1	-94.1	0	0	0	110.1	F103 K246 D247 L249 V750 I751 T752 P754	F103-H244 AromaticContact CE1-CE1 3.82Å; F103-H244 AromaticContact CE1-NE2 3.53Å; H244-K246 PolarHBondContact O-N 3.33Å; H244-D247 PolarHBondContact N-O 2.99Å; H244-L249 HydrophobicContact CB-CD1 4.06Å; H244-L249 HydrophobicContact CB-CG 4.26Å; H244-V750 WeakPolarHBondContact CB-O 3.33Å; H244-I751 PolarHBondContact CE1-O 3.35Å; H244-I751 VanDerWaalsContact CE1-O 3.26Å; H244-I751 VanDerWaalsContact ND1-C 3.34Å; H244-I751 PolarHBondContact ND1-O 2.79Å; H244-I751 VanDerWaalsContact ND1-O 3.15Å; H244-T752 PolarHBondContact ND1-O 3.46Å; H244-P754 VanDerWaalsContact C-CG 3.47Å; H244-P754 VanDerWaalsContact O-CG 3.31Å; H244-P754 WeakPolarHBondContact O-CG 3.38Å
245	E	87.2	Confident	90	Very high	40 Å²	40	29.2 Å²	29.2	19%	0.187	14%	0.143	C	C	.	.	S	Bend	trans	-46.3	-29.4	-171	-63.1	-58.6	121.1	0	0	115.6	R82 K89 T752 L753 P754	R82-E245 IonicContact NH1-OE2 3.51Å; R82-E245 PolarHBondContact NH1-OE2 2.94Å; R82-E245 VanDerWaalsContact NH1-OE2 3.12Å; K89-E245 VanDerWaalsContact CE-CD 3.4Å; K89-E245 WeakPolarHBondContact CE-OE1 3.41Å; K89-E245 WeakPolarHBondContact CE-OE2 3.34Å; K89-E245 IonicContact NZ-OE1 3.99Å; K89-E245 PolarHBondContact NZ-OE1 3.41Å; K89-E245 IonicContact NZ-OE2 3.15Å; E245-T752 WeakPolarHBondContact CG-OG1 3.41Å; E245-L753 PolarHBondContact OE1-N 2.87Å; E245-L753 VanDerWaalsContact OE1-O 3.1Å; E245-P754 WeakPolarHBondContact OE1-CA 3.48Å; E245-P754 VanDerWaalsContact OE1-N 3.15Å
246	K	85	Confident	89.9	Confident	158 Å²	158	29.9 Å²	29.9	69%	0.687	14%	0.144	S	C	*	.	S	Bend	trans	-135.3	-43.7	175.9	-60.2	-173.9	-179.3	-176.2	0	112.9	Q243 H244	Q243-K246 VanDerWaalsContact NE2-C 3.29Å; Q243-K246 PolarHBondContact NE2-O 2.81Å; H244-K246 PolarHBondContact O-N 3.33Å
247	D	88.6	Confident	89.7	Confident	43 Å²	43	32 Å²	32	23%	0.23	15%	0.153	C	C	.	.	S	Bend	trans	-113.5	157.3	-167.4	-70.4	-75.8	0	0	0	113.9	R105 H244 L249	R105-D247 HydrophobicContact CG-CB 4.22Å; R105-D247 IonicContact CZ-OD1 3.77Å; R105-D247 IonicContact CZ-OD2 2.69Å; R105-D247 IonicContact NE-OD1 2.75Å; R105-D247 PolarHBondContact NE-OD1 2.74Å; R105-D247 IonicContact NE-OD2 2.73Å; R105-D247 IonicContact NH2-OD1 2.81Å; R105-D247 PolarHBondContact NH2-OD1 2.81Å; R105-D247 IonicContact NH2-OD2 2.67Å; H244-D247 PolarHBondContact N-O 2.99Å; D247-L249 HydrophobicContact CB-CD2 3.86Å; D247-L249 HydrophobicContact CB-CG 4.46Å; D247-L249 PolarHBondContact O-N 3.03Å
248	I	91.8	Very high	89.5	Confident	8 Å²	8	31.5 Å²	31.5	4%	0.041	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.4	161.3	-58.2	169.4	0	0	0	107.4	L106 T108 W112 F193 L197 I241 R242 M424	L106-I248 HydrophobicContact CB-CB 4.08Å; L106-I248 HydrophobicContact CB-CG2 3.89Å; L106-I248 HydrophobicContact CD2-CG2 4.12Å; L106-I248 PolarHBondContact N-O 2.94Å; T108-I248 HydrophobicContact CG2-CD1 4.19Å; W112-I248 HydrophobicContact CE3-CD1 4.32Å; W112-I248 HydrophobicContact CH2-CD1 4.32Å; W112-I248 HydrophobicContact CZ3-CD1 3.8Å; F193-I248 HydrophobicContact CE1-CD1 4.43Å; F193-I248 HydrophobicContact CE1-CG1 4.5Å; F193-I248 HydrophobicContact CZ-CD1 4.1Å; L197-I248 HydrophobicContact CD1-CD1 4.34Å; L197-I248 HydrophobicContact CD1-CG1 4.44Å; L197-I248 HydrophobicContact CD1-CG2 4.03Å; L197-I248 HydrophobicContact CD2-CD1 4.23Å; L197-I248 HydrophobicContact CD2-CG2 4.44Å; I241-I248 HydrophobicContact CD1-CG2 4.02Å; I241-I248 HydrophobicContact CG1-CG2 3.83Å; R242-I248 WeakPolarHBondContact O-CA 3.31Å; I248-M424 HydrophobicContact CD1-CE 3.85Å
249	L	94	Very high	89.2	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.6	177.5	-52.9	-177.9	0	0	0	111.3	F103 F104 R105 I241 R242 H244 D247 T431 V750 I751	F103-L249 HydrophobicContact CB-CB 4.23Å; F103-L249 HydrophobicContact CB-CD1 4.19Å; F103-L249 HydrophobicContact CD1-CB 3.72Å; F103-L249 HydrophobicContact CD1-CD1 4.13Å; F103-L249 HydrophobicContact CG-CB 4.41Å; F103-L249 HydrophobicContact CG-CD1 4.34Å; F104-L249 WeakPolarHBondContact O-CA 3.35Å; R105-L249 HydrophobicContact CB-CD2 4.05Å; R105-L249 HydrophobicContact CG-CD2 4.24Å; I241-L249 WeakPolarHBondContact CA-O 3.17Å; R242-L249 PolarHBondContact N-O 3.1Å; R242-L249 PolarHBondContact O-N 2.81Å; H244-L249 HydrophobicContact CB-CD1 4.06Å; H244-L249 HydrophobicContact CB-CG 4.26Å; D247-L249 HydrophobicContact CB-CD2 3.86Å; D247-L249 HydrophobicContact CB-CG 4.46Å; D247-L249 PolarHBondContact O-N 3.03Å; L249-T431 HydrophobicContact CD2-CG2 4.4Å; L249-V750 HydrophobicContact CD1-CG1 4.46Å; L249-V750 WeakPolarHBondContact CD1-O 3.33Å; L249-I751 HydrophobicContact CD1-CG2 3.89Å
250	L	93.9	Very high	89	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	95.8	168.1	174	55.4	0	0	0	109.3	F103 F104 L106 L201 M205 I241 L409 L426	F103-L250 WeakPolarHBondContact CA-O 3.37Å; F104-L250 PolarHBondContact N-O 3.23Å; F104-L250 PolarHBondContact O-N 2.94Å; L106-L250 HydrophobicContact CD1-CB 4.32Å; L201-L250 HydrophobicContact CD1-CD1 3.65Å; L201-L250 HydrophobicContact CD1-CD2 3.77Å; L201-L250 HydrophobicContact CD1-CG 4.32Å; L201-L250 HydrophobicContact CD2-CD1 3.72Å; L201-L250 HydrophobicContact CG-CD1 4.35Å; M205-L250 HydrophobicContact CE-CD2 4.11Å; I241-L250 HydrophobicContact CB-CD1 4.43Å; L250-L409 HydrophobicContact CD2-CD2 4.44Å; L250-L426 HydrophobicContact CB-CD1 4.5Å; L250-L426 HydrophobicContact CD2-CD1 4.04Å
251	G	93.2	Very high	88.8	Confident	2 Å²	2	29.8 Å²	29.8	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	131.4	167.7	0	0	0	0	0	110.7	T239 S240	T239-G251 WeakPolarHBondContact CA-O 3.21Å; S240-G251 PolarHBondContact N-O 2.9Å; S240-G251 PolarHBondContact O-N 3.3Å
252	T	92.6	Very high	88.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.6	174.8	-58.9	0	0	0	0	110.5	N102 Y237 E238 T239 L402 F405	N102-T252 WeakPolarHBondContact CB-O 3.4Å; N102-T252 PolarHBondContact ND2-O 3.48Å; N102-T252 PolarHBondContact O-N 2.89Å; Y237-T252 HydrophobicContact CD1-CG2 3.9Å; Y237-T252 HydrophobicContact CG-CG2 4.37Å; E238-T252 WeakPolarHBondContact O-CA 3.14Å; T239-T252 HydrophobicContact CG2-CG2 4.27Å; T252-L402 HydrophobicContact CG2-CD2 4.03Å; T252-L402 WeakPolarHBondContact O-CD2 3.4Å; T252-F405 HydrophobicContact CG2-CD1 3.86Å; T252-F405 HydrophobicContact CG2-CE1 3.71Å; T252-F405 HydrophobicContact CG2-CG 4.49Å; T252-F405 HydrophobicContact CG2-CZ 4.22Å
253	E	92.5	Very high	89	Confident	11 Å²	11	29 Å²	29	5%	0.051	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.2	174.4	167.1	63.7	147.6	0	0	111.3	Y237 E238 T255 R398 R733	Y237-E253 WeakPolarHBondContact CA-O 3.4Å; E238-E253 PolarHBondContact N-O 2.96Å; E238-E253 PolarHBondContact O-N 2.89Å; E253-T255 PolarHBondContact O-N 3.46Å; E253-R398 IonicContact OE1-CZ 2.66Å; E253-R398 IonicContact OE1-NH1 2.63Å; E253-R398 PolarHBondContact OE1-NH1 3Å; E253-R398 IonicContact OE2-CZ 2.68Å; E253-R398 IonicContact OE2-NE 2.75Å; E253-R398 IonicContact OE2-NH1 2.78Å; E253-R398 PolarHBondContact OE2-NH1 3.23Å; E253-R733 IonicContact OE1-CZ 2.85Å; E253-R733 IonicContact OE1-NE 3.12Å; E253-R733 PolarHBondContact OE1-NE 3.16Å; E253-R733 IonicContact OE1-NH2 3.99Å; E253-R733 PolarHBondContact OE1-NH2 2.83Å
254	I	90	Very high	89.3	Confident	11 Å²	11	27.1 Å²	27.1	6%	0.056	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	120.3	176.8	-44.6	-61.6	0	0	0	109.5	Y237 M393 R398 R401 L402	Y237-I254 HydrophobicContact CD1-CD1 3.78Å; Y237-I254 HydrophobicContact CE1-CD1 3.54Å; I254-M393 HydrophobicContact CB-CE 3.7Å; I254-M393 HydrophobicContact CG1-CE 4.29Å; I254-M393 HydrophobicContact CG2-CE 3.64Å; I254-M393 HydrophobicContact CG2-SD 4.3Å; I254-R398 HydrophobicContact CG1-CG 4.09Å; I254-R398 PolarHBondContact O-NH1 3.41Å; I254-R401 HydrophobicContact CD1-CB 3.94Å; I254-R401 HydrophobicContact CG1-CB 4.18Å; I254-L402 HydrophobicContact CD1-CD2 3.75Å; I254-L402 HydrophobicContact CD1-CG 4.09Å; I254-L402 HydrophobicContact CG1-CD2 4.19Å; I254-L402 HydrophobicContact CG1-CG 4.28Å
255	T	89.4	Confident	89.4	Confident	32 Å²	32	29.1 Å²	29.1	20%	0.196	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	163.6	-177	-171.8	0	0	0	0	110.8	N216 F218 G236 E238 E253	N216-T255 HydrophobicContact CB-CG2 4.24Å; F218-T255 HydrophobicContact CE1-CG2 3.79Å; F218-T255 HydrophobicContact CZ-CG2 3.9Å; G236-T255 CarbonylContact C-O 3.6Å; G236-T255 PolarHBondContact N-O 3.15Å; G236-T255 PolarHBondContact O-N 3.26Å; G236-T255 VanDerWaalsContact O-O 3.1Å; E238-T255 HydrophobicContact CB-CG2 4.23Å; E253-T255 PolarHBondContact O-N 3.46Å
256	H	87.8	Confident	89.6	Confident	41 Å²	41	30.4 Å²	30.4	19%	0.19	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	124.2	-172.5	-60.4	110.7	0	0	0	110.4	L233 W234 T391	L233-H256 HydrophobicContact CD2-CB 3.77Å; L233-H256 VanDerWaalsContact CD2-CD2 3.44Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.36Å; L233-H256 HydrophobicContact CG-CB 4.15Å; W234-H256 WeakPolarHBondContact O-CA 3.31Å; H256-T391 HydrophobicContact CB-CG2 4.18Å
257	K	86.6	Confident	89.7	Confident	45 Å²	45	23.4 Å²	23.4	20%	0.196	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.4	174.3	-167.6	80.7	-178.9	-168.6	0	108.7	V213 F218 L233 W234 M259	V213-K257 HydrophobicContact CG1-CD 3.93Å; V213-K257 HydrophobicContact CG1-CG 4.5Å; F218-K257 HydrophobicContact CD1-CB 3.76Å; F218-K257 HydrophobicContact CE1-CB 3.61Å; F218-K257 HydrophobicContact CE2-CB 4.34Å; F218-K257 HydrophobicContact CE2-CD 4.41Å; F218-K257 HydrophobicContact CG-CB 4.23Å; F218-K257 HydrophobicContact CZ-CB 3.91Å; F218-K257 HydrophobicContact CZ-CD 4.34Å; L233-K257 WeakPolarHBondContact CA-O 3.38Å; W234-K257 HydrophobicContact CB-CB 4.29Å; W234-K257 PolarHBondContact N-O 2.84Å; W234-K257 PolarHBondContact O-N 2.86Å; K257-M259 HydrophobicContact CG-CG 4.18Å; K257-M259 HydrophobicContact CG-SD 3.81Å
258	V	87	Confident	89.8	Confident	25 Å²	25	21.8 Å²	21.8	15%	0.152	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.7	169.6	-178	0	0	0	0	109	M231 G372 L373 M387	M231-V258 HydrophobicContact CG-CG1 4.19Å; M231-V258 HydrophobicContact SD-CG1 3.73Å; V258-G372 PolarHBondContact O-N 3.2Å; V258-L373 HydrophobicContact CG1-CD2 3.9Å; V258-L373 HydrophobicContact CG1-CG 4.38Å; V258-M387 HydrophobicContact CG1-SD 4.13Å; V258-M387 HydrophobicContact CG2-SD 4.07Å
259	M	83.9	Confident	89.5	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.5	-176.2	-70.7	-55.5	-53.4	0	0	108.5	M231 E232 W234 K257 L292 R369 T371	M231-M259 CarbonylContact C-O 3.53Å; M231-M259 WeakPolarHBondContact CA-O 3.45Å; M231-M259 WeakPolarHBondContact CG-O 3.45Å; E232-M259 HydrophobicContact CB-CB 4.05Å; E232-M259 PolarHBondContact N-O 2.75Å; E232-M259 PolarHBondContact O-N 3.05Å; E232-M259 VanDerWaalsContact O-O 3.07Å; W234-M259 HydrophobicContact CD2-CG 4.08Å; W234-M259 HydrophobicContact CG-CG 4.17Å; K257-M259 HydrophobicContact CG-CG 4.18Å; K257-M259 HydrophobicContact CG-SD 3.81Å; M259-L292 HydrophobicContact CE-CB 3.58Å; M259-L292 HydrophobicContact CE-CD2 3.51Å; M259-L292 HydrophobicContact CE-CG 4.15Å; M259-L292 HydrophobicContact SD-CD2 4.33Å; M259-R369 HydrophobicContact CE-CB 4.45Å; M259-T371 HydrophobicContact CE-CG2 3.88Å; M259-T371 HydrophobicContact SD-CG2 3.64Å
260	R	86.6	Confident	89	Confident	17 Å²	17	36.9 Å²	36.9	6%	0.064	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	145.2	172.4	-56.5	-171.3	-152.6	166	9.9	109.5	M231 E262 R369 V370 G372 M377	M231-R260 HydrophobicContact CG-CG 4.29Å; R260-E262 HydrophobicContact CB-CB 4.26Å; R260-R369 PolarHBondContact O-NE 2.91Å; R260-R369 PolarHBondContact O-NH2 2.85Å; R260-V370 HydrophobicContact CB-CB 4.41Å; R260-V370 WeakPolarHBondContact CB-O 3.31Å; R260-V370 HydrophobicContact CG-CB 4.35Å; R260-V370 WeakPolarHBondContact CG-O 3.4Å; R260-V370 VanDerWaalsContact CZ-CG1 3.46Å; R260-V370 PolarHBondContact N-O 3.48Å; R260-G372 PolarHBondContact NE-O 2.91Å; R260-G372 PolarHBondContact NH2-O 2.94Å; R260-M377 HydrophobicContact CG-CE 4.06Å; R260-M377 VanDerWaalsContact CZ-SD 3.51Å
261	T	83.6	Confident	88.3	Confident	70 Å²	70	37.3 Å²	37.3	43%	0.429	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-17	166.5	-44.8	0	0	0	0	111.1	K230	K230-T261 WeakPolarHBondContact O-CB 3.21Å; K230-T261 PolarHBondContact O-N 3.35Å; K230-T261 PolarHBondContact O-OG1 2.88Å
262	E	87.3	Confident	87	Confident	35 Å²	35	40 Å²	40	16%	0.164	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	132.8	170.9	-167.6	179.1	-150.5	0	0	112.5	R260 D266 I267 R270 V370	R260-E262 HydrophobicContact CB-CB 4.26Å; E262-D266 HydrophobicContact CG-CB 3.52Å; E262-I267 VanDerWaalsContact CD-CG1 3.43Å; E262-I267 HydrophobicContact CG-CG1 4.02Å; E262-I267 WeakPolarHBondContact OE1-CG1 3.05Å; E262-R270 IonicContact OE1-CZ 3.2Å; E262-R270 IonicContact OE1-NE 2.88Å; E262-R270 PolarHBondContact OE1-NE 2.87Å; E262-R270 IonicContact OE1-NH2 2.71Å; E262-R270 PolarHBondContact OE1-NH2 2.9Å; E262-R270 IonicContact OE2-NH2 2.7Å; E262-R270 PolarHBondContact OE2-NH2 2.94Å; E262-V370 PolarHBondContact O-N 3.18Å
263	T	91.3	Very high	85.8	Confident	21 Å²	21	47.8 Å²	47.8	13%	0.129	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	167.8	173.8	67.2	0	0	0	0	111.9	Y265 D266 I267 E366 C368 R369	T263-Y265 PolarHBondContact O-N 2.96Å; T263-Y265 PolarHBondContact OG1-N 3.31Å; T263-D266 WeakPolarHBondContact CB-OD2 3.47Å; T263-D266 PolarHBondContact N-OD2 2.94Å; T263-D266 PolarHBondContact O-N 3.46Å; T263-D266 PolarHBondContact OG1-N 3.18Å; T263-D266 VanDerWaalsContact OG1-N 3.12Å; T263-D266 PolarHBondContact OG1-OD2 3.42Å; T263-I267 PolarHBondContact O-N 3.48Å; T263-E366 WeakPolarHBondContact CG2-O 3.44Å; T263-C368 CarbonylContact C-O 3.57Å; T263-C368 VanDerWaalsContact CA-O 3.28Å; T263-C368 WeakPolarHBondContact CA-O 3.44Å; T263-R369 HydrophobicContact CG2-CG 4.24Å
264	I	92.7	Very high	84.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.6	-33.6	169.4	-63.8	-66.7	0	0	0	111.1	D266 I267 M268 V286 L289 V291 I302 L344 P365 C368 V370	I264-D266 VanDerWaalsContact C-N 3.34Å; I264-D266 PolarHBondContact O-N 2.92Å; I264-I267 PolarHBondContact O-N 2.9Å; I264-M268 HydrophobicContact CG2-CE 3.76Å; I264-M268 HydrophobicContact CG2-CG 4.15Å; I264-M268 HydrophobicContact CG2-SD 3.93Å; I264-M268 WeakPolarHBondContact O-CG 3.16Å; I264-M268 PolarHBondContact O-N 2.9Å; I264-V286 HydrophobicContact CD1-CG1 4.23Å; I264-V286 HydrophobicContact CG2-CG1 3.83Å; I264-V286 HydrophobicContact CG2-CG2 4.04Å; I264-L289 HydrophobicContact CD1-CD1 3.9Å; I264-V291 HydrophobicContact CD1-CG1 3.63Å; I264-V291 HydrophobicContact CG1-CG1 3.47Å; I264-V291 VanDerWaalsContact CG1-CG1 3.47Å; I264-I302 HydrophobicContact CD1-CD1 3.76Å; I264-I302 HydrophobicContact CG1-CD1 3.97Å; I264-L344 HydrophobicContact CB-CD1 4.12Å; I264-L344 HydrophobicContact CG1-CD1 4.02Å; I264-L344 HydrophobicContact CG2-CD1 4.01Å; I264-L344 HydrophobicContact CG2-CD2 3.9Å; I264-P365 HydrophobicContact CB-CB 4.14Å; I264-P365 HydrophobicContact CG2-CB 4.06Å; I264-P365 PolarHBondContact N-O 3.29Å; I264-C368 HydrophobicContact CG1-CB 4.09Å; I264-C368 PolarHBondContact N-O 3.43Å; I264-V370 HydrophobicContact CD1-CG2 3.44Å; I264-V370 VanDerWaalsContact CD1-CG2 3.44Å; I264-V370 HydrophobicContact CG1-CG2 4.25Å
265	Y	93.1	Very high	83.8	Confident	50 Å²	50	55.6 Å²	55.6	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-58	-45.2	175.5	179.3	-99.8	0	0	0	112.1	T263 I267 M268 R269 D338 Q341 P365	T263-Y265 PolarHBondContact O-N 2.96Å; T263-Y265 PolarHBondContact OG1-N 3.31Å; Y265-I267 VanDerWaalsContact C-N 3.34Å; Y265-I267 PolarHBondContact O-N 3.02Å; Y265-M268 PolarHBondContact O-N 2.93Å; Y265-R269 WeakPolarHBondContact O-CB 3.38Å; Y265-R269 PolarHBondContact O-N 3.41Å; Y265-D338 HydrophobicContact CE2-CB 3.77Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.47Å; Y265-D338 PolarHBondContact OH-OD2 2.85Å; Y265-Q341 HydrophobicContact CD2-CB 4Å; Y265-Q341 HydrophobicContact CE2-CB 4.03Å; Y265-P365 PolarHBondContact N-O 2.92Å
266	D	90.6	Very high	83	Confident	67 Å²	67	58.5 Å²	58.5	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-43.1	175.9	-60.9	-58.1	0	0	0	111.8	E262 T263 I264 R269 R270	E262-D266 HydrophobicContact CG-CB 3.52Å; T263-D266 WeakPolarHBondContact CB-OD2 3.47Å; T263-D266 PolarHBondContact N-OD2 2.94Å; T263-D266 PolarHBondContact O-N 3.46Å; T263-D266 PolarHBondContact OG1-N 3.18Å; T263-D266 VanDerWaalsContact OG1-N 3.12Å; T263-D266 PolarHBondContact OG1-OD2 3.42Å; I264-D266 VanDerWaalsContact C-N 3.34Å; I264-D266 PolarHBondContact O-N 2.92Å; D266-R269 PolarHBondContact O-N 3.29Å; D266-R270 WeakPolarHBondContact O-CG 3.41Å; D266-R270 PolarHBondContact O-N 3.07Å; D266-R270 VanDerWaalsContact O-N 3.09Å
267	I	88.2	Confident	82.5	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.051	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-44.6	177.5	-65.2	175	0	0	0	110.9	E262 T263 I264 Y265 R269 R270 C271 N285 V286 V370	E262-I267 VanDerWaalsContact CD-CG1 3.43Å; E262-I267 HydrophobicContact CG-CG1 4.02Å; E262-I267 WeakPolarHBondContact OE1-CG1 3.05Å; T263-I267 PolarHBondContact O-N 3.48Å; I264-I267 PolarHBondContact O-N 2.9Å; Y265-I267 VanDerWaalsContact C-N 3.34Å; Y265-I267 PolarHBondContact O-N 3.02Å; I267-R269 VanDerWaalsContact C-N 3.3Å; I267-R269 PolarHBondContact O-N 3.39Å; I267-R270 PolarHBondContact O-N 2.93Å; I267-R270 VanDerWaalsContact O-N 3.08Å; I267-C271 PolarHBondContact O-N 2.87Å; I267-C271 VanDerWaalsContact O-N 3.1Å; I267-C271 PolarHBondContact O-SG 3.12Å; I267-N285 HydrophobicContact CG2-CB 4.32Å; I267-V286 HydrophobicContact CG2-CG2 4.19Å; I267-V370 HydrophobicContact CD1-CG2 3.61Å
268	M	89	Confident	82.2	Confident	10 Å²	10	63.8 Å²	63.8	5%	0.049	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-43.7	175.9	-73.3	172.4	162.9	0	0	111.2	I264 Y265 R270 C271 S272 H278 V282 V286 V305 P342 L344 P365	I264-M268 HydrophobicContact CG2-CE 3.76Å; I264-M268 HydrophobicContact CG2-CG 4.15Å; I264-M268 HydrophobicContact CG2-SD 3.93Å; I264-M268 WeakPolarHBondContact O-CG 3.16Å; I264-M268 PolarHBondContact O-N 2.9Å; Y265-M268 PolarHBondContact O-N 2.93Å; M268-R270 PolarHBondContact O-N 3.35Å; M268-C271 PolarHBondContact O-N 3.36Å; M268-S272 PolarHBondContact O-N 2.78Å; M268-H278 PolarHBondContact O-CE1 2.93Å; M268-V282 HydrophobicContact CB-CG2 4.33Å; M268-V282 HydrophobicContact CE-CG1 3.77Å; M268-V282 HydrophobicContact CG-CG1 3.87Å; M268-V282 HydrophobicContact CG-CG2 4.15Å; M268-V286 HydrophobicContact CE-CG1 4.48Å; M268-V286 HydrophobicContact CG-CG2 4.44Å; M268-V305 HydrophobicContact CE-CG1 3.66Å; M268-V305 HydrophobicContact CE-CG2 4.23Å; M268-P342 HydrophobicContact CE-CG 3.81Å; M268-P342 HydrophobicContact SD-CG 3.7Å; M268-L344 HydrophobicContact CE-CD2 3.54Å; M268-P365 HydrophobicContact CE-CG 4.08Å; M268-P365 HydrophobicContact SD-CB 3.81Å; M268-P365 HydrophobicContact SD-CG 3.75Å
269	R	87	Confident	82	Confident	178 Å²	178	66.8 Å²	66.8	67%	0.672	33%	0.334	S	S	*	.	H	α-helix	trans	-69.6	-15.1	177.4	-153.9	176.9	-167.9	-132.6	1.7	114	Y265 D266 I267 S272	Y265-R269 WeakPolarHBondContact O-CB 3.38Å; Y265-R269 PolarHBondContact O-N 3.41Å; D266-R269 PolarHBondContact O-N 3.29Å; I267-R269 VanDerWaalsContact C-N 3.3Å; I267-R269 PolarHBondContact O-N 3.39Å; R269-S272 PolarHBondContact O-OG 2.99Å; R269-S272 VanDerWaalsContact O-OG 3.11Å
270	R	83.4	Confident	82	Confident	147 Å²	147	71.1 Å²	71.1	56%	0.555	36%	0.357	S	S	*	.	H	α-helix	trans	-86.2	-27	167.6	-66.5	-168.1	-64.7	123.6	-8	112.6	E262 D266 I267 M268 S272 H273	E262-R270 IonicContact OE1-CZ 3.2Å; E262-R270 IonicContact OE1-NE 2.88Å; E262-R270 PolarHBondContact OE1-NE 2.87Å; E262-R270 IonicContact OE1-NH2 2.71Å; E262-R270 PolarHBondContact OE1-NH2 2.9Å; E262-R270 IonicContact OE2-NH2 2.7Å; E262-R270 PolarHBondContact OE2-NH2 2.94Å; D266-R270 WeakPolarHBondContact O-CG 3.41Å; D266-R270 PolarHBondContact O-N 3.07Å; D266-R270 VanDerWaalsContact O-N 3.09Å; I267-R270 PolarHBondContact O-N 2.93Å; I267-R270 VanDerWaalsContact O-N 3.08Å; M268-R270 PolarHBondContact O-N 3.35Å; R270-S272 VanDerWaalsContact C-N 3.27Å; R270-S272 PolarHBondContact O-N 2.88Å; R270-H273 PolarHBondContact O-CE1 3.1Å; R270-H273 PolarHBondContact O-ND1 3.43Å
271	C	78.8	Confident	81.8	Confident	11 Å²	11	73.4 Å²	73.4	7%	0.074	37%	0.368	C	S	.	.	S	Bend	trans	-82.2	8.3	176	-57.9	0	0	0	0	113.9	I267 M268 H278 E281 V282	I267-C271 PolarHBondContact O-N 2.87Å; I267-C271 VanDerWaalsContact O-N 3.1Å; I267-C271 PolarHBondContact O-SG 3.12Å; M268-C271 PolarHBondContact O-N 3.36Å; C271-H278 PolarHBondContact O-ND1 3.42Å; C271-E281 HydrophobicContact CB-CB 4.25Å; C271-V282 HydrophobicContact CB-CG2 3.7Å
272	S	65.7	Low	81.9	Confident	60 Å²	60	70.1 Å²	70.1	42%	0.42	35%	0.348	S	S	.	.			trans	-96.4	17.7	-175.5	67.1	0	0	0	0	114.8	M268 R269 R270 H278	M268-S272 PolarHBondContact O-N 2.78Å; R269-S272 PolarHBondContact O-OG 2.99Å; R269-S272 VanDerWaalsContact O-OG 3.11Å; R270-S272 VanDerWaalsContact C-N 3.27Å; R270-S272 PolarHBondContact O-N 2.88Å; S272-H278 WeakPolarHBondContact CA-ND1 3.13Å
273	H	66.9	Low	81.8	Confident	163 Å²	163	71.7 Å²	71.7	76%	0.755	35%	0.352	S	S	*	.	S	Bend	trans	-76.9	-18.9	-178.6	-71.9	88.1	0	0	0	113.9	R270	R270-H273 PolarHBondContact O-CE1 3.1Å; R270-H273 PolarHBondContact O-ND1 3.43Å
274	N	71.8	Confident	81.4	Confident	67 Å²	67	76.5 Å²	76.5	36%	0.358	38%	0.382	S	S	.	.			trans	-128.9	102.8	175.5	-174.8	-17.5	0	0	0	110.7	A276 R277 H278	N274-A276 PolarHBondContact O-N 3.21Å; N274-A276 PolarHBondContact OD1-N 3.06Å; N274-A276 VanDerWaalsContact OD1-N 3.15Å; N274-R277 PolarHBondContact O-N 2.92Å; N274-R277 VanDerWaalsContact O-N 3.13Å; N274-H278 PolarHBondContact O-N 3.36Å
275	P	68.3	Low	80.9	Confident	118 Å²	118	80.6 Å²	80.6	77%	0.766	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-36.9	-178.2	-27.9	35.6	0	0	0	114	R277	P275-R277 VanDerWaalsContact C-N 3.26Å; P275-R277 PolarHBondContact O-N 3.16Å
276	A	73.1	Confident	80.7	Confident	93 Å²	93	78.2 Å²	78.2	77%	0.769	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-14.2	-176.3	0	0	0	0	0	114.1	N274	N274-A276 PolarHBondContact O-N 3.21Å; N274-A276 PolarHBondContact OD1-N 3.06Å; N274-A276 VanDerWaalsContact OD1-N 3.15Å
277	R	77.3	Confident	80.5	Confident	147 Å²	147	77.7 Å²	77.7	56%	0.555	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.8	0.6	179.1	-52.9	-163	79.6	177.2	5.2	113.8	N274 P275 Q279 D280 E281	N274-R277 PolarHBondContact O-N 2.92Å; N274-R277 VanDerWaalsContact O-N 3.13Å; P275-R277 VanDerWaalsContact C-N 3.26Å; P275-R277 PolarHBondContact O-N 3.16Å; R277-Q279 PolarHBondContact O-N 3.41Å; R277-D280 PolarHBondContact O-N 3.31Å; R277-E281 HydrophobicContact CB-CG 4.32Å; R277-E281 PolarHBondContact O-N 3.12Å
278	H	80.7	Confident	80.2	Confident	51 Å²	51	80 Å²	80	24%	0.236	40%	0.404	C	S	.	.	H	α-helix	trans	-51.4	-49	-170.9	176.2	48.8	0	0	0	113.7	M268 C271 S272 N274 D280 E281 V282	M268-H278 PolarHBondContact O-CE1 2.93Å; C271-H278 PolarHBondContact O-ND1 3.42Å; S272-H278 WeakPolarHBondContact CA-ND1 3.13Å; N274-H278 PolarHBondContact O-N 3.36Å; H278-D280 VanDerWaalsContact C-N 3.32Å; H278-D280 PolarHBondContact O-N 3Å; H278-E281 PolarHBondContact O-N 3.44Å; H278-V282 VanDerWaalsContact CE1-CG2 3.41Å; H278-V282 WeakPolarHBondContact CE1-CG2 3.41Å; H278-V282 WeakPolarHBondContact O-CB 3.38Å; H278-V282 VanDerWaalsContact O-CG2 3.28Å; H278-V282 WeakPolarHBondContact O-CG2 3.37Å; H278-V282 PolarHBondContact O-N 3.31Å
279	Q	83.9	Confident	80	Confident	87 Å²	87	81.3 Å²	81.3	41%	0.407	41%	0.411	S	S	.	.	H	α-helix	trans	-64.2	-36.8	-179.1	-61.2	-165.5	8.9	0	0	112.9	R277 R283 F307	R277-Q279 PolarHBondContact O-N 3.41Å; Q279-R283 WeakPolarHBondContact O-CB 3.29Å; Q279-R283 VanDerWaalsContact O-CG 3.28Å; Q279-R283 WeakPolarHBondContact O-CG 3.35Å; Q279-R283 PolarHBondContact O-N 3.15Å; Q279-F307 HydrophobicContact CB-CD2 4.47Å; Q279-F307 HydrophobicContact CB-CE1 4.2Å; Q279-F307 HydrophobicContact CB-CE2 3.98Å; Q279-F307 HydrophobicContact CB-CZ 3.82Å; Q279-F307 HydrophobicContact CG-CD1 3.9Å; Q279-F307 HydrophobicContact CG-CD2 4.18Å; Q279-F307 HydrophobicContact CG-CE1 3.83Å; Q279-F307 HydrophobicContact CG-CE2 4.11Å; Q279-F307 HydrophobicContact CG-CG 4.06Å; Q279-F307 HydrophobicContact CG-CZ 3.93Å
280	D	82.5	Confident	80	Confident	91 Å²	91	76.5 Å²	76.5	49%	0.487	40%	0.397	S	S	.	.	H	α-helix	trans	-72.9	-42.6	179.5	-71.5	-14.9	0	0	0	111.1	R277 H278 V282 R283 V284	R277-D280 PolarHBondContact O-N 3.31Å; H278-D280 VanDerWaalsContact C-N 3.32Å; H278-D280 PolarHBondContact O-N 3Å; D280-V282 VanDerWaalsContact C-N 3.33Å; D280-V282 PolarHBondContact O-N 3.48Å; D280-R283 PolarHBondContact O-N 3.11Å; D280-V284 WeakPolarHBondContact O-CB 3.34Å; D280-V284 VanDerWaalsContact O-CG2 3.28Å; D280-V284 WeakPolarHBondContact O-CG2 3.42Å; D280-V284 PolarHBondContact O-N 3.46Å
281	E	82.9	Confident	80.3	Confident	66 Å²	66	69.5 Å²	69.5	31%	0.308	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-41.4	174.2	-71.5	-178.9	-154.6	0	0	111.4	C271 R277 H278 V284 N285	C271-E281 HydrophobicContact CB-CB 4.25Å; R277-E281 HydrophobicContact CB-CG 4.32Å; R277-E281 PolarHBondContact O-N 3.12Å; H278-E281 PolarHBondContact O-N 3.44Å; E281-V284 PolarHBondContact O-N 3.04Å; E281-N285 WeakPolarHBondContact O-CB 3.33Å; E281-N285 PolarHBondContact O-N 3.45Å; E281-N285 VanDerWaalsContact O-N 3.08Å; E281-N285 PolarHBondContact O-ND2 2.98Å
282	V	86.1	Confident	80.7	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-60	-51.8	171.1	166.4	0	0	0	0	110.7	M268 C271 H278 D280 V284 N285 V286 V305 F307	M268-V282 HydrophobicContact CB-CG2 4.33Å; M268-V282 HydrophobicContact CE-CG1 3.77Å; M268-V282 HydrophobicContact CG-CG1 3.87Å; M268-V282 HydrophobicContact CG-CG2 4.15Å; C271-V282 HydrophobicContact CB-CG2 3.7Å; H278-V282 VanDerWaalsContact CE1-CG2 3.41Å; H278-V282 WeakPolarHBondContact CE1-CG2 3.41Å; H278-V282 WeakPolarHBondContact O-CB 3.38Å; H278-V282 VanDerWaalsContact O-CG2 3.28Å; H278-V282 WeakPolarHBondContact O-CG2 3.37Å; H278-V282 PolarHBondContact O-N 3.31Å; D280-V282 VanDerWaalsContact C-N 3.33Å; D280-V282 PolarHBondContact O-N 3.48Å; V282-V284 VanDerWaalsContact C-N 3.34Å; V282-V284 PolarHBondContact O-N 3.17Å; V282-N285 PolarHBondContact O-N 2.75Å; V282-V286 HydrophobicContact CG1-CB 4.49Å; V282-V286 HydrophobicContact CG1-CG2 4.14Å; V282-V286 WeakPolarHBondContact O-CB 3.27Å; V282-V286 WeakPolarHBondContact O-CG2 2.98Å; V282-V286 PolarHBondContact O-N 3.28Å; V282-V305 HydrophobicContact CG1-CG1 4.45Å; V282-F307 HydrophobicContact CB-CZ 4.06Å; V282-F307 HydrophobicContact CG1-CE1 4.31Å; V282-F307 HydrophobicContact CG1-CZ 3.74Å
283	R	85.6	Confident	81.8	Confident	68 Å²	68	66.1 Å²	66.1	26%	0.257	35%	0.347	S	S	.	.	H	α-helix	trans	-58.4	-43.8	179.4	-77.3	174.9	179.7	113.9	7.4	111.9	Q279 D280 N285 L287 V305 F307	Q279-R283 WeakPolarHBondContact O-CB 3.29Å; Q279-R283 VanDerWaalsContact O-CG 3.28Å; Q279-R283 WeakPolarHBondContact O-CG 3.35Å; Q279-R283 PolarHBondContact O-N 3.15Å; D280-R283 PolarHBondContact O-N 3.11Å; R283-N285 VanDerWaalsContact C-N 3.33Å; R283-N285 PolarHBondContact O-N 3.45Å; R283-L287 HydrophobicContact CB-CD1 3.87Å; R283-L287 HydrophobicContact CB-CG 4.22Å; R283-L287 HydrophobicContact CG-CD1 4.15Å; R283-L287 VanDerWaalsContact O-CB 3.25Å; R283-L287 WeakPolarHBondContact O-CB 3.43Å; R283-L287 WeakPolarHBondContact O-CG 3.34Å; R283-L287 PolarHBondContact O-N 3.49Å; R283-V305 PolarHBondContact NH2-O 3.47Å; R283-F307 HydrophobicContact CG-CE2 4.43Å; R283-F307 VanDerWaalsContact NH2-CD2 3.3Å
284	V	81.4	Confident	82.5	Confident	123 Å²	123	61.5 Å²	61.5	75%	0.745	33%	0.328	S	S	*	.	H	α-helix	trans	-62.3	-37.2	178.1	167.3	0	0	0	0	112.4	D280 E281 V282	D280-V284 WeakPolarHBondContact O-CB 3.34Å; D280-V284 VanDerWaalsContact O-CG2 3.28Å; D280-V284 WeakPolarHBondContact O-CG2 3.42Å; D280-V284 PolarHBondContact O-N 3.46Å; E281-V284 PolarHBondContact O-N 3.04Å; V282-V284 VanDerWaalsContact C-N 3.34Å; V282-V284 PolarHBondContact O-N 3.17Å
285	N	82.9	Confident	83.1	Confident	86 Å²	86	60.2 Å²	60.2	46%	0.46	32%	0.319	S	S	.	.	H	α-helix	trans	-86.6	-27.4	-178.9	-77.1	-78.2	0	0	0	114.3	I267 E281 V282 R283 L289	I267-N285 HydrophobicContact CG2-CB 4.32Å; E281-N285 WeakPolarHBondContact O-CB 3.33Å; E281-N285 PolarHBondContact O-N 3.45Å; E281-N285 VanDerWaalsContact O-N 3.08Å; E281-N285 PolarHBondContact O-ND2 2.98Å; V282-N285 PolarHBondContact O-N 2.75Å; R283-N285 VanDerWaalsContact C-N 3.33Å; R283-N285 PolarHBondContact O-N 3.45Å; N285-L289 WeakPolarHBondContact O-CD1 3.47Å
286	V	88.1	Confident	83.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-103.4	-33.1	-169.4	172.9	0	0	0	0	113.5	I264 I267 M268 V282 L289 I302 V305 L344	I264-V286 HydrophobicContact CD1-CG1 4.23Å; I264-V286 HydrophobicContact CG2-CG1 3.83Å; I264-V286 HydrophobicContact CG2-CG2 4.04Å; I267-V286 HydrophobicContact CG2-CG2 4.19Å; M268-V286 HydrophobicContact CE-CG1 4.48Å; M268-V286 HydrophobicContact CG-CG2 4.44Å; V282-V286 HydrophobicContact CG1-CB 4.49Å; V282-V286 HydrophobicContact CG1-CG2 4.14Å; V282-V286 WeakPolarHBondContact O-CB 3.27Å; V282-V286 WeakPolarHBondContact O-CG2 2.98Å; V282-V286 PolarHBondContact O-N 3.28Å; V286-L289 WeakPolarHBondContact O-CB 3.41Å; V286-L289 WeakPolarHBondContact O-CG 3.46Å; V286-L289 PolarHBondContact O-N 2.84Å; V286-I302 HydrophobicContact CG1-CD1 3.47Å; V286-I302 VanDerWaalsContact CG1-CD1 3.47Å; V286-I302 HydrophobicContact CG1-CG2 4.15Å; V286-V305 HydrophobicContact CG1-CG2 3.95Å; V286-L344 HydrophobicContact CG1-CD2 4.15Å
287	L	86.8	Confident	84	Confident	55 Å²	55	53.3 Å²	53.3	29%	0.288	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	149.1	-178	-62.7	-179.2	0	0	0	112.1	R283 L289 I302 D304 V305	R283-L287 HydrophobicContact CB-CD1 3.87Å; R283-L287 HydrophobicContact CB-CG 4.22Å; R283-L287 HydrophobicContact CG-CD1 4.15Å; R283-L287 VanDerWaalsContact O-CB 3.25Å; R283-L287 WeakPolarHBondContact O-CB 3.43Å; R283-L287 WeakPolarHBondContact O-CG 3.34Å; R283-L287 PolarHBondContact O-N 3.49Å; L287-L289 PolarHBondContact O-N 2.84Å; L287-L289 VanDerWaalsContact O-N 3.09Å; L287-I302 HydrophobicContact CD2-CG2 4.06Å; L287-D304 VanDerWaalsContact CD2-CA 3.49Å; L287-V305 HydrophobicContact CD2-CG2 4.16Å
288	D	81.3	Confident	84.2	Confident	59 Å²	59	53.8 Å²	53.8	32%	0.316	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	-2.4	-171.6	-82	-14.5	0	0	0	116.3	R301 I302 R622	D288-R301 IonicContact OD1-CZ 2.73Å; D288-R301 IonicContact OD1-NE 3.3Å; D288-R301 PolarHBondContact OD1-NE 2.85Å; D288-R301 IonicContact OD1-NH2 2.97Å; D288-R301 PolarHBondContact OD1-NH2 3.13Å; D288-R301 IonicContact OD2-NH2 3.94Å; D288-R301 PolarHBondContact OD2-NH2 2.96Å; D288-R301 VanDerWaalsContact OD2-NH2 3.15Å; D288-I302 PolarHBondContact N-O 3.01Å; D288-R622 IonicContact OD2-NH1 2.89Å; D288-R622 PolarHBondContact OD2-NH1 3.27Å
289	L	85.8	Confident	84.4	Confident	38 Å²	38	53.4 Å²	53.4	20%	0.199	27%	0.266	C	S	.	.			trans	-63.5	144.9	168.6	-66	-173.1	0	0	0	110.9	I264 N285 V286 L287 R301 I302 V370	I264-L289 HydrophobicContact CD1-CD1 3.9Å; N285-L289 WeakPolarHBondContact O-CD1 3.47Å; V286-L289 WeakPolarHBondContact O-CB 3.41Å; V286-L289 WeakPolarHBondContact O-CG 3.46Å; V286-L289 PolarHBondContact O-N 2.84Å; L287-L289 PolarHBondContact O-N 2.84Å; L287-L289 VanDerWaalsContact O-N 3.09Å; L289-R301 WeakPolarHBondContact O-CA 3.45Å; L289-I302 HydrophobicContact CB-CD1 4.5Å; L289-I302 PolarHBondContact O-N 3.01Å; L289-V370 HydrophobicContact CD1-CG1 4.07Å; L289-V370 HydrophobicContact CD1-CG2 4.08Å; L289-V370 HydrophobicContact CD2-CG1 4.46Å
290	I	86.1	Confident	84.5	Confident	76 Å²	76	51.1 Å²	51.1	39%	0.39	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.9	168.4	-57.6	178.4	0	0	0	107.7	T299 Y300 R301 T371	I290-T299 HydrophobicContact CG2-CG2 4.26Å; I290-Y300 CarbonylContact C-O 3.52Å; I290-Y300 WeakPolarHBondContact CA-O 3.4Å; I290-R301 HydrophobicContact CG1-CB 4.47Å; I290-T371 WeakPolarHBondContact O-CB 3.46Å; I290-T371 WeakPolarHBondContact O-CG2 3.35Å; I290-T371 PolarHBondContact O-N 3.21Å; I290-T371 PolarHBondContact O-OG1 3.41Å
291	V	89.6	Confident	84.8	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	156.9	174.4	-67.8	0	0	0	0	111.3	I264 T299 Y300 I302 L363 C368 R369	I264-V291 HydrophobicContact CD1-CG1 3.63Å; I264-V291 HydrophobicContact CG1-CG1 3.47Å; I264-V291 VanDerWaalsContact CG1-CG1 3.47Å; V291-T299 CarbonylContact O-C 3.31Å; V291-T299 WeakPolarHBondContact O-CA 3.34Å; V291-T299 WeakPolarHBondContact O-CB 3.3Å; V291-Y300 PolarHBondContact N-O 3.22Å; V291-Y300 PolarHBondContact O-N 3.07Å; V291-I302 HydrophobicContact CG1-CD1 3.8Å; V291-I302 HydrophobicContact CG1-CG1 4.35Å; V291-I302 HydrophobicContact CG2-CG1 4.28Å; V291-L363 HydrophobicContact CG2-CD1 4.42Å; V291-C368 HydrophobicContact CB-CB 4Å; V291-C368 HydrophobicContact CG1-CB 4.09Å; V291-C368 HydrophobicContact CG2-CB 4.15Å; V291-R369 CarbonylContact C-O 3.41Å; V291-R369 WeakPolarHBondContact CA-O 3.33Å; V291-R369 WeakPolarHBondContact CB-O 3.45Å
292	L	87.9	Confident	85.1	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.8	162.9	-170.7	81.1	0	0	0	108.7	W234 M259 N297 R298 T299 C368 R369 T371	W234-L292 HydrophobicContact CH2-CD2 3.4Å; W234-L292 HydrophobicContact CZ2-CD2 4.01Å; W234-L292 HydrophobicContact CZ3-CD2 3.94Å; M259-L292 HydrophobicContact CE-CB 3.58Å; M259-L292 HydrophobicContact CE-CD2 3.51Å; M259-L292 HydrophobicContact CE-CG 4.15Å; M259-L292 HydrophobicContact SD-CD2 4.33Å; L292-N297 WeakPolarHBondContact CD1-O 3.48Å; L292-R298 WeakPolarHBondContact CA-O 3.26Å; L292-T299 HydrophobicContact CB-CG2 4.38Å; L292-T299 HydrophobicContact CD1-CG2 3.56Å; L292-C368 CarbonylContact O-C 3.52Å; L292-C368 WeakPolarHBondContact O-CA 3.25Å; L292-R369 PolarHBondContact N-O 3.06Å; L292-R369 PolarHBondContact O-N 3.16Å; L292-T371 HydrophobicContact CB-CG2 4.02Å
293	T	89.6	Confident	85.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	104.2	168.4	45.6	0	0	0	0	110.6	Y295 N296 N297 R298 Y300 L363	T293-Y295 VanDerWaalsContact CB-CE1 3.43Å; T293-Y295 VanDerWaalsContact CB-CZ 3.49Å; T293-Y295 HydrophobicContact CG2-CE1 3.69Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.33Å; T293-Y295 PolarHBondContact O-N 2.99Å; T293-N296 PolarHBondContact O-N 2.95Å; T293-N296 PolarHBondContact O-OD1 3.05Å; T293-N296 VanDerWaalsContact O-OD1 3.13Å; T293-N296 PolarHBondContact OG1-OD1 3.27Å; T293-N297 PolarHBondContact O-N 2.92Å; T293-R298 PolarHBondContact N-O 3.11Å; T293-R298 PolarHBondContact OG1-O 3.18Å; T293-Y300 HydrophobicContact CG2-CD2 4.23Å; T293-Y300 HydrophobicContact CG2-CE2 4.26Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.38Å; T293-L363 HydrophobicContact CG2-CD1 4.49Å; T293-L363 HydrophobicContact CG2-CD2 4.25Å
294	D	80.3	Confident	85.5	Confident	67 Å²	67	51.6 Å²	51.6	36%	0.358	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.2	-170.1	-70	20.2	0	0	0	113.7	N296 R369	D294-N296 PolarHBondContact O-N 3.19Å; D294-R369 WeakPolarHBondContact OD1-CD 3.45Å; D294-R369 WeakPolarHBondContact OD2-CD 3.16Å; D294-R369 IonicContact OD2-CZ 2.84Å; D294-R369 IonicContact OD2-NE 3.21Å; D294-R369 IonicContact OD2-NH1 3.89Å; D294-R369 PolarHBondContact OD2-NH1 3.47Å
295	Y	84.8	Confident	86	Confident	39 Å²	39	45.9 Å²	45.9	15%	0.153	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.8	178.7	61	-101.2	0	0	0	115	T293 Y328 Y332 I334 L367	T293-Y295 VanDerWaalsContact CB-CE1 3.43Å; T293-Y295 VanDerWaalsContact CB-CZ 3.49Å; T293-Y295 HydrophobicContact CG2-CE1 3.69Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.33Å; T293-Y295 PolarHBondContact O-N 2.99Å; Y295-Y328 HydrophobicContact CD1-CE1 4.46Å; Y295-Y328 HydrophobicContact CD2-CE1 4.44Å; Y295-Y328 HydrophobicContact CE1-CD1 4.38Å; Y295-Y328 AromaticContact CE1-CE1 3.79Å; Y295-Y328 HydrophobicContact CE1-CE1 3.79Å; Y295-Y328 AromaticContact CE2-CE1 3.77Å; Y295-Y328 HydrophobicContact CE2-CE1 3.77Å; Y295-Y328 AromaticContact CZ-CE1 3.42Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.42Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.33Å; Y295-Y328 PolarHBondContact OH-OH 3.24Å; Y295-Y332 AromaticContact CD2-CD1 3.84Å; Y295-Y332 HydrophobicContact CD2-CD1 3.84Å; Y295-Y332 AromaticContact CD2-CD2 3.97Å; Y295-Y332 HydrophobicContact CD2-CD2 3.97Å; Y295-Y332 AromaticContact CD2-CE1 3.63Å; Y295-Y332 HydrophobicContact CD2-CE1 3.63Å; Y295-Y332 AromaticContact CD2-CE2 3.75Å; Y295-Y332 HydrophobicContact CD2-CE2 3.75Å; Y295-Y332 HydrophobicContact CD2-CG 4Å; Y295-Y332 AromaticContact CD2-CZ 3.56Å; Y295-Y332 HydrophobicContact CE2-CD2 4.43Å; Y295-Y332 HydrophobicContact CE2-CE1 4.28Å; Y295-Y332 AromaticContact CE2-CE2 3.85Å; Y295-Y332 HydrophobicContact CE2-CE2 3.85Å; Y295-Y332 AromaticContact CE2-CZ 3.75Å; Y295-Y332 HydrophobicContact CG-CD1 4.42Å; Y295-Y332 HydrophobicContact CG-CD2 4.5Å; Y295-Y332 HydrophobicContact CG-CG 4.35Å; Y295-I334 VanDerWaalsContact CB-CD1 3.43Å; Y295-I334 HydrophobicContact CD1-CD1 4.4Å; Y295-I334 HydrophobicContact CG-CD1 4.25Å; Y295-L367 HydrophobicContact CD1-CB 4.11Å; Y295-L367 HydrophobicContact CD1-CD1 4.35Å; Y295-L367 HydrophobicContact CE1-CB 3.83Å; Y295-L367 HydrophobicContact CE1-CD1 4.21Å
296	N	83.1	Confident	86.5	Confident	35 Å²	35	43.7 Å²	43.7	19%	0.187	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-152.9	7.6	175.9	69.2	15.6	0	0	0	114.9	T293 D294 R298 Y332	T293-N296 PolarHBondContact O-N 2.95Å; T293-N296 PolarHBondContact O-OD1 3.05Å; T293-N296 VanDerWaalsContact O-OD1 3.13Å; T293-N296 PolarHBondContact OG1-OD1 3.27Å; D294-N296 PolarHBondContact O-N 3.19Å; N296-R298 HydrophobicContact CB-CG 4.48Å; N296-R298 PolarHBondContact O-N 2.82Å; N296-R298 VanDerWaalsContact OD1-CB 3.26Å; N296-R298 WeakPolarHBondContact OD1-CB 3.36Å; N296-R298 WeakPolarHBondContact OD1-CG 3.46Å; N296-R298 PolarHBondContact OD1-N 3.41Å; N296-Y332 HydrophobicContact CB-CE1 4.45Å
297	N	77.3	Confident	86.6	Confident	31 Å²	31	46.1 Å²	46.1	17%	0.166	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	24.1	-178.5	-63.4	-45.5	0	0	0	116	E211 W234 L292 T293	E211-N297 HydrophobicContact CB-CB 4.3Å; E211-N297 VanDerWaalsContact CD-CB 3.46Å; E211-N297 HydrophobicContact CG-CB 3.82Å; E211-N297 PolarHBondContact OE1-ND2 2.76Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.12Å; L292-N297 WeakPolarHBondContact CD1-O 3.48Å; T293-N297 PolarHBondContact O-N 2.92Å
298	R	82.1	Confident	86.9	Confident	157 Å²	157	47 Å²	47	59%	0.592	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	144.2	176.3	-63.2	-177.8	-178.8	-164.6	-2.2	111.7	L292 T293 N296 Y300	L292-R298 WeakPolarHBondContact CA-O 3.26Å; T293-R298 PolarHBondContact N-O 3.11Å; T293-R298 PolarHBondContact OG1-O 3.18Å; N296-R298 HydrophobicContact CB-CG 4.48Å; N296-R298 PolarHBondContact O-N 2.82Å; N296-R298 VanDerWaalsContact OD1-CB 3.26Å; N296-R298 WeakPolarHBondContact OD1-CB 3.36Å; N296-R298 WeakPolarHBondContact OD1-CG 3.46Å; N296-R298 PolarHBondContact OD1-N 3.41Å; R298-Y300 HydrophobicContact CB-CD2 4.44Å; R298-Y300 HydrophobicContact CB-CE2 3.62Å
299	T	83.5	Confident	87.5	Confident	43 Å²	43	47.1 Å²	47.1	26%	0.264	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.2	172.9	53.8	0	0	0	0	113.1	V213 I290 V291 L292 T371	V213-T299 HydrophobicContact CG1-CG2 3.63Å; I290-T299 HydrophobicContact CG2-CG2 4.26Å; V291-T299 CarbonylContact O-C 3.31Å; V291-T299 WeakPolarHBondContact O-CA 3.34Å; V291-T299 WeakPolarHBondContact O-CB 3.3Å; L292-T299 HydrophobicContact CB-CG2 4.38Å; L292-T299 HydrophobicContact CD1-CG2 3.56Å; T299-T371 HydrophobicContact CG2-CG2 4.37Å
300	Y	86.9	Confident	88	Confident	39 Å²	39	47.1 Å²	47.1	15%	0.153	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.1	179.4	-61.6	-86.5	0	0	0	110	I290 V291 T293 R298 V361 L363	I290-Y300 CarbonylContact C-O 3.52Å; I290-Y300 WeakPolarHBondContact CA-O 3.4Å; V291-Y300 PolarHBondContact N-O 3.22Å; V291-Y300 PolarHBondContact O-N 3.07Å; T293-Y300 HydrophobicContact CG2-CD2 4.23Å; T293-Y300 HydrophobicContact CG2-CE2 4.26Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.38Å; R298-Y300 HydrophobicContact CB-CD2 4.44Å; R298-Y300 HydrophobicContact CB-CE2 3.62Å; Y300-V361 HydrophobicContact CD1-CB 4.41Å; Y300-V361 HydrophobicContact CD1-CG1 4.18Å; Y300-V361 HydrophobicContact CE1-CB 4.19Å; Y300-V361 HydrophobicContact CE1-CG1 3.72Å; Y300-V361 HydrophobicContact CE1-CG2 4.16Å; Y300-L363 HydrophobicContact CD1-CD1 4.28Å; Y300-L363 HydrophobicContact CD2-CD1 3.65Å; Y300-L363 HydrophobicContact CD2-CD2 4.28Å; Y300-L363 HydrophobicContact CE2-CD1 4.37Å; Y300-L363 HydrophobicContact CE2-CD2 4.19Å; Y300-L363 HydrophobicContact CG-CD1 3.59Å
301	R	87.6	Confident	88.5	Confident	131 Å²	131	43.5 Å²	43.5	49%	0.494	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.2	170.9	177.6	176.8	175.3	168.4	-1.6	108.1	D288 L289 I290 N303 S346	D288-R301 IonicContact OD1-CZ 2.73Å; D288-R301 IonicContact OD1-NE 3.3Å; D288-R301 PolarHBondContact OD1-NE 2.85Å; D288-R301 IonicContact OD1-NH2 2.97Å; D288-R301 PolarHBondContact OD1-NH2 3.13Å; D288-R301 IonicContact OD2-NH2 3.94Å; D288-R301 PolarHBondContact OD2-NH2 2.96Å; D288-R301 VanDerWaalsContact OD2-NH2 3.15Å; L289-R301 WeakPolarHBondContact O-CA 3.45Å; I290-R301 HydrophobicContact CG1-CB 4.47Å; R301-N303 PolarHBondContact O-N 3.2Å; R301-N303 PolarHBondContact O-OD1 3.41Å; R301-S346 WeakPolarHBondContact O-CB 3.29Å; R301-S346 PolarHBondContact O-OG 2.84Å
302	I	90	Very high	88.8	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	25%	0.248	C	C	.	.			trans	-73.7	122.9	178	-51.6	172.3	0	0	0	108.2	I264 V286 L287 D288 L289 V291 D304 V305 L344	I264-I302 HydrophobicContact CD1-CD1 3.76Å; I264-I302 HydrophobicContact CG1-CD1 3.97Å; V286-I302 HydrophobicContact CG1-CD1 3.47Å; V286-I302 VanDerWaalsContact CG1-CD1 3.47Å; V286-I302 HydrophobicContact CG1-CG2 4.15Å; L287-I302 HydrophobicContact CD2-CG2 4.06Å; D288-I302 PolarHBondContact N-O 3.01Å; L289-I302 HydrophobicContact CB-CD1 4.5Å; L289-I302 PolarHBondContact O-N 3.01Å; V291-I302 HydrophobicContact CG1-CD1 3.8Å; V291-I302 HydrophobicContact CG1-CG1 4.35Å; V291-I302 HydrophobicContact CG2-CG1 4.28Å; I302-D304 VanDerWaalsContact CG2-O 3.3Å; I302-D304 WeakPolarHBondContact CG2-O 3.48Å; I302-V305 HydrophobicContact CG2-CG2 4.34Å; I302-L344 HydrophobicContact CD1-CD1 3.83Å; I302-L344 HydrophobicContact CD1-CD2 4.25Å; I302-L344 HydrophobicContact CD1-CG 4.5Å; I302-L344 HydrophobicContact CG1-CD1 4.38Å; I302-L344 HydrophobicContact CG2-CB 4.38Å; I302-L344 HydrophobicContact CG2-CD2 4.38Å
303	N	88.6	Confident	89.1	Confident	45 Å²	45	51.1 Å²	51.1	24%	0.241	26%	0.258	C	S	.	.			trans	-109.5	-24.2	179.7	-65.2	125.4	0	0	0	112.8	R301 I345 K347	R301-N303 PolarHBondContact O-N 3.2Å; R301-N303 PolarHBondContact O-OD1 3.41Å; N303-I345 PolarHBondContact N-O 2.83Å; N303-K347 HydrophobicContact CB-CB 4.39Å; N303-K347 HydrophobicContact CB-CD 4.44Å; N303-K347 PolarHBondContact OD1-N 2.84Å; N303-K347 PolarHBondContact OD1-O 2.94Å
304	D	90.7	Very high	89.3	Confident	58 Å²	58	55.2 Å²	55.2	31%	0.31	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	167.2	170.9	-136.1	-37	0	0	0	111.4	L287 I302 I345	L287-D304 VanDerWaalsContact CD2-CA 3.49Å; I302-D304 VanDerWaalsContact CG2-O 3.3Å; I302-D304 WeakPolarHBondContact CG2-O 3.48Å; D304-I345 HydrophobicContact CB-CB 3.92Å; D304-I345 HydrophobicContact CB-CD1 4.32Å; D304-I345 HydrophobicContact CB-CG1 4.49Å; D304-I345 HydrophobicContact CB-CG2 4.48Å; D304-I345 PolarHBondContact N-O 2.92Å; D304-I345 VanDerWaalsContact N-O 3.12Å; D304-I345 PolarHBondContact O-N 3.43Å
305	V	92.4	Very high	89.8	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.8	168.4	-177.7	0	0	0	0	108.3	M268 V282 R283 V286 L287 I302 F307 P342 L344	M268-V305 HydrophobicContact CE-CG1 3.66Å; M268-V305 HydrophobicContact CE-CG2 4.23Å; V282-V305 HydrophobicContact CG1-CG1 4.45Å; R283-V305 PolarHBondContact NH2-O 3.47Å; V286-V305 HydrophobicContact CG1-CG2 3.95Å; L287-V305 HydrophobicContact CD2-CG2 4.16Å; I302-V305 HydrophobicContact CG2-CG2 4.34Å; V305-F307 HydrophobicContact CB-CD2 4.43Å; V305-F307 HydrophobicContact CB-CE2 3.77Å; V305-F307 HydrophobicContact CB-CZ 4.21Å; V305-F307 HydrophobicContact CG1-CD2 4.01Å; V305-F307 HydrophobicContact CG1-CE1 4.22Å; V305-F307 HydrophobicContact CG1-CE2 3.51Å; V305-F307 HydrophobicContact CG1-CZ 3.64Å; V305-F307 WeakPolarHBondContact O-CD2 3.45Å; V305-P342 HydrophobicContact CG1-CB 4.01Å; V305-P342 HydrophobicContact CG1-CG 4.2Å; V305-L344 HydrophobicContact CG1-CD2 4.47Å; V305-L344 HydrophobicContact CG2-CD2 4.01Å
306	D	93.1	Very high	89.9	Confident	40 Å²	40	56.6 Å²	56.6	21%	0.214	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.3	178.3	-169.9	-23.8	0	0	0	109.4	G308 Q309 P342 L343 I345	D306-G308 WeakPolarHBondContact OD1-CA 3.37Å; D306-G308 PolarHBondContact OD1-N 2.77Å; D306-Q309 PolarHBondContact OD1-N 2.7Å; D306-Q309 VanDerWaalsContact OD1-N 3.08Å; D306-Q309 PolarHBondContact OD2-NE2 2.83Å; D306-P342 CarbonylContact O-C 3.49Å; D306-P342 WeakPolarHBondContact O-CA 3.46Å; D306-P342 WeakPolarHBondContact O-CB 3.38Å; D306-L343 PolarHBondContact N-O 3.33Å; D306-L343 PolarHBondContact O-N 3.09Å; D306-I345 HydrophobicContact CB-CD1 4.02Å; D306-I345 HydrophobicContact CB-CG1 4.35Å
307	F	91.1	Very high	89.7	Confident	52 Å²	52	57.1 Å²	57.1	23%	0.228	30%	0.303	C	S	.	.	S	Bend	trans	-100.5	-1.2	178.2	-61.8	-99.2	0	0	0	112.7	Q279 V282 R283 V305 P342	Q279-F307 HydrophobicContact CB-CD2 4.47Å; Q279-F307 HydrophobicContact CB-CE1 4.2Å; Q279-F307 HydrophobicContact CB-CE2 3.98Å; Q279-F307 HydrophobicContact CB-CZ 3.82Å; Q279-F307 HydrophobicContact CG-CD1 3.9Å; Q279-F307 HydrophobicContact CG-CD2 4.18Å; Q279-F307 HydrophobicContact CG-CE1 3.83Å; Q279-F307 HydrophobicContact CG-CE2 4.11Å; Q279-F307 HydrophobicContact CG-CG 4.06Å; Q279-F307 HydrophobicContact CG-CZ 3.93Å; V282-F307 HydrophobicContact CB-CZ 4.06Å; V282-F307 HydrophobicContact CG1-CE1 4.31Å; V282-F307 HydrophobicContact CG1-CZ 3.74Å; R283-F307 HydrophobicContact CG-CE2 4.43Å; R283-F307 VanDerWaalsContact NH2-CD2 3.3Å; V305-F307 HydrophobicContact CB-CD2 4.43Å; V305-F307 HydrophobicContact CB-CE2 3.77Å; V305-F307 HydrophobicContact CB-CZ 4.21Å; V305-F307 HydrophobicContact CG1-CD2 4.01Å; V305-F307 HydrophobicContact CG1-CE1 4.22Å; V305-F307 HydrophobicContact CG1-CE2 3.51Å; V305-F307 HydrophobicContact CG1-CZ 3.64Å; V305-F307 WeakPolarHBondContact O-CD2 3.45Å; F307-P342 HydrophobicContact CD1-CB 3.82Å; F307-P342 HydrophobicContact CD1-CG 4.15Å; F307-P342 HydrophobicContact CE1-CB 4.27Å; F307-P342 HydrophobicContact CE1-CG 4.17Å; F307-P342 HydrophobicContact CG-CB 4.18Å
308	G	92.2	Very high	89.6	Confident	72 Å²	72	65.8 Å²	65.8	74%	0.742	34%	0.339	S	S	*	.	S	Bend	trans	-91	-24	173.5	0	0	0	0	0	112.9	D306	D306-G308 WeakPolarHBondContact OD1-CA 3.37Å; D306-G308 PolarHBondContact OD1-N 2.77Å
309	Q	94.2	Very high	89.5	Confident	62 Å²	62	61.7 Å²	61.7	29%	0.29	35%	0.346	S	S	.	.			trans	-99.5	155.8	173.6	-66.3	-174.2	77.4	0	0	112.9	D306 L343	D306-Q309 PolarHBondContact OD1-N 2.7Å; D306-Q309 VanDerWaalsContact OD1-N 3.08Å; D306-Q309 PolarHBondContact OD2-NE2 2.83Å; Q309-L343 HydrophobicContact CB-CD1 3.56Å; Q309-L343 HydrophobicContact CB-CG 4.03Å
310	T	96.1	Very high	89.6	Confident	38 Å²	38	69.5 Å²	69.5	23%	0.233	37%	0.37	C	S	.	.			trans	-139.2	171.7	-178.8	63.6	0	0	0	0	110.4	K312 S313 H339	T310-K312 PolarHBondContact O-N 2.76Å; T310-K312 PolarHBondContact OG1-N 3.26Å; T310-S313 PolarHBondContact N-OG 3.2Å; T310-S313 VanDerWaalsContact N-OG 3.08Å; T310-S313 WeakPolarHBondContact O-CB 3.19Å; T310-S313 PolarHBondContact O-N 2.99Å; T310-S313 PolarHBondContact O-OG 3.2Å; T310-H339 WeakPolarHBondContact CB-O 3.37Å
311	P	96.9	Very high	89.8	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-21.2	172.3	-30.2	36	0	0	0	115.7	S313 F324 V325 I336 Q341 L343 I364	P311-S313 VanDerWaalsContact C-N 3.34Å; P311-F324 WeakPolarHBondContact O-CB 3.32Å; P311-F324 PolarHBondContact O-N 2.87Å; P311-V325 HydrophobicContact CB-CG2 3.85Å; P311-V325 PolarHBondContact O-N 3.42Å; P311-I336 HydrophobicContact CB-CD1 3.98Å; P311-I336 HydrophobicContact CB-CG2 4.08Å; P311-I336 HydrophobicContact CG-CG2 3.96Å; P311-Q341 VanDerWaalsContact CD-O 3.28Å; P311-Q341 WeakPolarHBondContact CD-O 3.4Å; P311-Q341 HydrophobicContact CG-CG 3.75Å; P311-L343 HydrophobicContact CG-CD2 4.47Å; P311-I364 HydrophobicContact CB-CD1 4.39Å; P311-I364 HydrophobicContact CG-CD1 4.17Å
312	K	96	Very high	90.1	Very high	130 Å²	130	68.4 Å²	68.4	57%	0.565	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.4	174	-69.9	171.7	170.6	169.4	0	113.3	T310 H339	T310-K312 PolarHBondContact O-N 2.76Å; T310-K312 PolarHBondContact OG1-N 3.26Å; K312-H339 HydrophobicContact CD-CB 4.34Å; K312-H339 HydrophobicContact CG-CB 4.33Å
313	S	95.1	Very high	90.4	Very high	30 Å²	30	68.7 Å²	68.7	21%	0.21	38%	0.379	C	S	.	.			trans	-62.8	148	175.1	-58.3	0	0	0	0	110.8	T310 P311 S323 F324	T310-S313 PolarHBondContact N-OG 3.2Å; T310-S313 VanDerWaalsContact N-OG 3.08Å; T310-S313 WeakPolarHBondContact O-CB 3.19Å; T310-S313 PolarHBondContact O-N 2.99Å; T310-S313 PolarHBondContact O-OG 3.2Å; P311-S313 VanDerWaalsContact C-N 3.34Å; S313-S323 WeakPolarHBondContact O-CA 3.34Å; S313-F324 WeakPolarHBondContact O-CD2 3.45Å; S313-F324 PolarHBondContact O-N 3.41Å
314	T	92.7	Very high	90.7	Very high	87 Å²	87	66.9 Å²	66.9	53%	0.534	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	157.4	-178.4	52.5	0	0	0	0	112.3	I322	T314-I322 CarbonylContact C-O 3.46Å; T314-I322 VanDerWaalsContact CA-O 3.29Å; T314-I322 WeakPolarHBondContact CA-O 3.34Å
315	F	90.6	Very high	91	Very high	57 Å²	57	65.7 Å²	65.7	25%	0.25	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.4	169.9	73.5	-79.7	0	0	0	110.9	C317 I322 F324 Y327	F315-C317 HydrophobicContact CD2-CB 4.48Å; F315-C317 HydrophobicContact CE2-CB 3.92Å; F315-C317 HydrophobicContact CZ-CB 4.46Å; F315-I322 HydrophobicContact CD1-CG2 4.38Å; F315-I322 HydrophobicContact CE1-CG2 3.92Å; F315-I322 HydrophobicContact CZ-CG2 4Å; F315-I322 PolarHBondContact N-O 3.43Å; F315-I322 PolarHBondContact O-N 3.4Å; F315-I322 VanDerWaalsContact O-N 3.11Å; F315-F324 HydrophobicContact CB-CZ 4.3Å; F315-F324 AromaticContact CD1-CD1 3.71Å; F315-F324 HydrophobicContact CD1-CD1 3.71Å; F315-F324 AromaticContact CD1-CE1 3.46Å; F315-F324 HydrophobicContact CD1-CE1 3.46Å; F315-F324 VanDerWaalsContact CD1-CE1 3.46Å; F315-F324 HydrophobicContact CD1-CE2 4.39Å; F315-F324 HydrophobicContact CD1-CG 4.29Å; F315-F324 AromaticContact CD1-CZ 3.83Å; F315-F324 HydrophobicContact CD1-CZ 3.83Å; F315-F324 AromaticContact CE1-CD1 3.68Å; F315-F324 HydrophobicContact CE1-CD1 3.68Å; F315-F324 AromaticContact CE1-CE1 3.8Å; F315-F324 HydrophobicContact CE1-CE1 3.8Å; F315-F324 HydrophobicContact CE1-CG 4.4Å; F315-F324 HydrophobicContact CG-CE1 4.12Å; F315-F324 HydrophobicContact CG-CZ 4.29Å; F315-Y327 HydrophobicContact CE1-CD1 4.18Å; F315-Y327 HydrophobicContact CE1-CD2 4.45Å; F315-Y327 AromaticContact CE1-CG 3.94Å; F315-Y327 HydrophobicContact CE1-CG 3.94Å; F315-Y327 AromaticContact CZ-CD1 3.9Å; F315-Y327 HydrophobicContact CZ-CD1 3.9Å; F315-Y327 AromaticContact CZ-CD2 3.71Å; F315-Y327 HydrophobicContact CZ-CD2 3.71Å; F315-Y327 HydrophobicContact CZ-CE1 4.22Å; F315-Y327 HydrophobicContact CZ-CE2 4.05Å; F315-Y327 AromaticContact CZ-CG 3.61Å; F315-Y327 HydrophobicContact CZ-CG 3.61Å
316	S	87.4	Confident	91.1	Very high	77 Å²	77	70.4 Å²	70.4	54%	0.538	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	124	-178.9	-149.6	0	0	0	0	112.5	D321	S316-D321 WeakPolarHBondContact CA-OD1 3.26Å; S316-D321 WeakPolarHBondContact CB-OD1 3.14Å; S316-D321 PolarHBondContact OG-OD1 3.17Å
317	C	78.5	Confident	91.2	Very high	46 Å²	46	70.4 Å²	70.4	31%	0.311	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	100.8	-178	-172.8	0	0	0	0	109.7	F315 G319 R320 I322	F315-C317 HydrophobicContact CD2-CB 4.48Å; F315-C317 HydrophobicContact CE2-CB 3.92Å; F315-C317 HydrophobicContact CZ-CB 4.46Å; C317-G319 VanDerWaalsContact C-N 3.32Å; C317-G319 PolarHBondContact O-N 2.93Å; C317-R320 PolarHBondContact N-O 3.16Å; C317-R320 PolarHBondContact O-N 2.65Å; C317-I322 HydrophobicContact CB-CG2 3.88Å
318	K	75.5	Confident	91.4	Very high	214 Å²	214	68.2 Å²	68.2	93%	0.93	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	37.1	-175.5	-52.7	177.9	176.9	178.6	0	114.2
319	G	80.1	Confident	91.5	Very high	71 Å²	71	68 Å²	68	73%	0.732	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	19.2	-179.7	0	0	0	0	0	114.5	C317	C317-G319 VanDerWaalsContact C-N 3.32Å; C317-G319 PolarHBondContact O-N 2.93Å
320	R	86.2	Confident	91.5	Very high	207 Å²	207	70.5 Å²	70.5	78%	0.781	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	132	162.6	-65.2	-174.2	-178.5	-172.1	-1.2	108.7	C317	C317-R320 PolarHBondContact N-O 3.16Å; C317-R320 PolarHBondContact O-N 2.65Å
321	D	90.4	Very high	91.3	Very high	111 Å²	111	74.2 Å²	74.2	59%	0.594	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	137	174.4	-63.2	-10.5	0	0	0	109.2	S316	S316-D321 WeakPolarHBondContact CA-OD1 3.26Å; S316-D321 WeakPolarHBondContact CB-OD1 3.14Å; S316-D321 PolarHBondContact OG-OD1 3.17Å
322	I	94.9	Very high	91.1	Very high	36 Å²	36	77.2 Å²	77.2	19%	0.185	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	142	-172.4	-171.6	169	0	0	0	109.3	T314 F315 C317 E326	T314-I322 CarbonylContact C-O 3.46Å; T314-I322 VanDerWaalsContact CA-O 3.29Å; T314-I322 WeakPolarHBondContact CA-O 3.34Å; F315-I322 HydrophobicContact CD1-CG2 4.38Å; F315-I322 HydrophobicContact CE1-CG2 3.92Å; F315-I322 HydrophobicContact CZ-CG2 4Å; F315-I322 PolarHBondContact N-O 3.43Å; F315-I322 PolarHBondContact O-N 3.4Å; F315-I322 VanDerWaalsContact O-N 3.11Å; C317-I322 HydrophobicContact CB-CG2 3.88Å; I322-E326 HydrophobicContact CD1-CB 3.97Å; I322-E326 HydrophobicContact CG1-CB 3.59Å
323	S	95.4	Very high	91	Very high	8 Å²	8	77.5 Å²	77.5	6%	0.056	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	157.6	174.2	74.6	0	0	0	0	111.2	S313 V325 E326 Y327	S313-S323 WeakPolarHBondContact O-CA 3.34Å; S323-V325 VanDerWaalsContact C-N 3.26Å; S323-V325 PolarHBondContact O-N 3.27Å; S323-E326 VanDerWaalsContact CB-OE1 3.23Å; S323-E326 WeakPolarHBondContact CB-OE1 3.44Å; S323-E326 PolarHBondContact O-N 2.92Å; S323-E326 WeakPolarHBondContact OG-CG 3.35Å; S323-E326 PolarHBondContact OG-N 2.95Å; S323-E326 PolarHBondContact OG-OE1 2.73Å; S323-Y327 WeakPolarHBondContact O-CB 3.24Å; S323-Y327 PolarHBondContact O-N 2.91Å
324	F	95.4	Very high	91	Very high	7 Å²	7	78.2 Å²	78.2	3%	0.031	41%	0.407	C	S	.	.	H	α-helix	trans	-62.2	-37.1	173	-64.1	-77.7	0	0	0	111.5	P311 S313 F315 Y327 Y328 L343 V362 I364	P311-F324 WeakPolarHBondContact O-CB 3.32Å; P311-F324 PolarHBondContact O-N 2.87Å; S313-F324 WeakPolarHBondContact O-CD2 3.45Å; S313-F324 PolarHBondContact O-N 3.41Å; F315-F324 HydrophobicContact CB-CZ 4.3Å; F315-F324 AromaticContact CD1-CD1 3.71Å; F315-F324 HydrophobicContact CD1-CD1 3.71Å; F315-F324 AromaticContact CD1-CE1 3.46Å; F315-F324 HydrophobicContact CD1-CE1 3.46Å; F315-F324 VanDerWaalsContact CD1-CE1 3.46Å; F315-F324 HydrophobicContact CD1-CE2 4.39Å; F315-F324 HydrophobicContact CD1-CG 4.29Å; F315-F324 AromaticContact CD1-CZ 3.83Å; F315-F324 HydrophobicContact CD1-CZ 3.83Å; F315-F324 AromaticContact CE1-CD1 3.68Å; F315-F324 HydrophobicContact CE1-CD1 3.68Å; F315-F324 AromaticContact CE1-CE1 3.8Å; F315-F324 HydrophobicContact CE1-CE1 3.8Å; F315-F324 HydrophobicContact CE1-CG 4.4Å; F315-F324 HydrophobicContact CG-CE1 4.12Å; F315-F324 HydrophobicContact CG-CZ 4.29Å; F324-Y327 PolarHBondContact O-N 3.17Å; F324-Y328 HydrophobicContact CB-CD2 4.26Å; F324-Y328 HydrophobicContact CB-CE2 4.32Å; F324-Y328 HydrophobicContact CD1-CE2 4.22Å; F324-Y328 WeakPolarHBondContact O-CD2 3.4Å; F324-Y328 PolarHBondContact O-N 3.14Å; F324-L343 HydrophobicContact CD2-CD1 3.86Å; F324-L343 HydrophobicContact CE2-CD1 3.4Å; F324-L343 VanDerWaalsContact CE2-CD1 3.4Å; F324-L343 HydrophobicContact CZ-CD1 3.98Å; F324-V362 HydrophobicContact CE1-CB 3.99Å; F324-V362 HydrophobicContact CE1-CG1 4.06Å; F324-V362 HydrophobicContact CE2-CG1 4.38Å; F324-V362 HydrophobicContact CZ-CB 3.89Å; F324-V362 HydrophobicContact CZ-CG1 3.68Å; F324-I364 HydrophobicContact CB-CD1 3.91Å; F324-I364 HydrophobicContact CG-CD1 4.2Å
325	V	96.1	Very high	91.2	Very high	33 Å²	33	83.5 Å²	83.5	20%	0.2	42%	0.418	C	S	.	.	H	α-helix	trans	-57.2	-53.2	175.2	174.7	0	0	0	0	111.5	P311 S323 Y327 L329 I336	P311-V325 HydrophobicContact CB-CG2 3.85Å; P311-V325 PolarHBondContact O-N 3.42Å; S323-V325 VanDerWaalsContact C-N 3.26Å; S323-V325 PolarHBondContact O-N 3.27Å; V325-Y327 PolarHBondContact O-N 2.91Å; V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.39Å; V325-L329 PolarHBondContact O-N 2.81Å; V325-I336 HydrophobicContact CG2-CD1 4.21Å
326	E	94.9	Very high	91.4	Very high	101 Å²	101	81.2 Å²	81.2	47%	0.472	41%	0.408	S	S	.	.	H	α-helix	trans	-61	-45.5	177.3	-73.4	146.4	-118.1	0	0	111.4	I322 S323 Y328 L329 T330	I322-E326 HydrophobicContact CD1-CB 3.97Å; I322-E326 HydrophobicContact CG1-CB 3.59Å; S323-E326 VanDerWaalsContact CB-OE1 3.23Å; S323-E326 WeakPolarHBondContact CB-OE1 3.44Å; S323-E326 PolarHBondContact O-N 2.92Å; S323-E326 WeakPolarHBondContact OG-CG 3.35Å; S323-E326 PolarHBondContact OG-N 2.95Å; S323-E326 PolarHBondContact OG-OE1 2.73Å; E326-Y328 PolarHBondContact O-N 3.47Å; E326-L329 PolarHBondContact O-N 2.97Å; E326-T330 VanDerWaalsContact O-CB 3.31Å; E326-T330 WeakPolarHBondContact O-CB 3.27Å; E326-T330 PolarHBondContact O-N 2.67Å; E326-T330 PolarHBondContact O-OG1 3.46Å
327	Y	94.8	Very high	91.8	Very high	39 Å²	39	86.9 Å²	86.9	15%	0.153	42%	0.417	C	S	.	.	H	α-helix	trans	-61.2	-45.3	-179.1	170.3	-102	0	0	0	112.9	F315 S323 F324 V325 K331 Y332	F315-Y327 HydrophobicContact CE1-CD1 4.18Å; F315-Y327 HydrophobicContact CE1-CD2 4.45Å; F315-Y327 AromaticContact CE1-CG 3.94Å; F315-Y327 HydrophobicContact CE1-CG 3.94Å; F315-Y327 AromaticContact CZ-CD1 3.9Å; F315-Y327 HydrophobicContact CZ-CD1 3.9Å; F315-Y327 AromaticContact CZ-CD2 3.71Å; F315-Y327 HydrophobicContact CZ-CD2 3.71Å; F315-Y327 HydrophobicContact CZ-CE1 4.22Å; F315-Y327 HydrophobicContact CZ-CE2 4.05Å; F315-Y327 AromaticContact CZ-CG 3.61Å; F315-Y327 HydrophobicContact CZ-CG 3.61Å; S323-Y327 WeakPolarHBondContact O-CB 3.24Å; S323-Y327 PolarHBondContact O-N 2.91Å; F324-Y327 PolarHBondContact O-N 3.17Å; V325-Y327 PolarHBondContact O-N 2.91Å; Y327-K331 HydrophobicContact CD2-CD 4.2Å; Y327-K331 HydrophobicContact CE1-CD 4.49Å; Y327-K331 HydrophobicContact CE2-CD 3.41Å; Y327-K331 VanDerWaalsContact CE2-CD 3.41Å; Y327-K331 WeakPolarHBondContact O-CB 3.44Å; Y327-K331 PolarHBondContact O-N 2.63Å; Y327-K331 PolarHBondContact OH-NZ 2.94Å; Y327-Y332 HydrophobicContact CE1-CE2 4.1Å
328	Y	95.5	Very high	92.6	Very high	7 Å²	7	86.7 Å²	86.7	3%	0.027	41%	0.414	C	S	.	.	H	α-helix	trans	-70.8	-33.6	179.4	-77.2	-68	0	0	0	112.3	Y295 F324 E326 Y332 N333 I334 I336 I364 L367	Y295-Y328 HydrophobicContact CD1-CE1 4.46Å; Y295-Y328 HydrophobicContact CD2-CE1 4.44Å; Y295-Y328 HydrophobicContact CE1-CD1 4.38Å; Y295-Y328 AromaticContact CE1-CE1 3.79Å; Y295-Y328 HydrophobicContact CE1-CE1 3.79Å; Y295-Y328 AromaticContact CE2-CE1 3.77Å; Y295-Y328 HydrophobicContact CE2-CE1 3.77Å; Y295-Y328 AromaticContact CZ-CE1 3.42Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.42Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.33Å; Y295-Y328 PolarHBondContact OH-OH 3.24Å; F324-Y328 HydrophobicContact CB-CD2 4.26Å; F324-Y328 HydrophobicContact CB-CE2 4.32Å; F324-Y328 HydrophobicContact CD1-CE2 4.22Å; F324-Y328 WeakPolarHBondContact O-CD2 3.4Å; F324-Y328 PolarHBondContact O-N 3.14Å; E326-Y328 PolarHBondContact O-N 3.47Å; Y328-Y332 AromaticContact CD1-CD2 3.69Å; Y328-Y332 HydrophobicContact CD1-CD2 3.69Å; Y328-Y332 AromaticContact CD1-CE2 3.91Å; Y328-Y332 HydrophobicContact CD1-CE2 3.91Å; Y328-Y332 HydrophobicContact CE1-CD2 4.18Å; Y328-Y332 AromaticContact CE1-CE2 3.94Å; Y328-Y332 HydrophobicContact CE1-CE2 3.94Å; Y328-Y332 PolarHBondContact O-N 2.72Å; Y328-Y332 VanDerWaalsContact O-N 3.16Å; Y328-N333 PolarHBondContact O-N 3.07Å; Y328-I334 CarbonylContact C-O 3.26Å; Y328-I334 PolarHBondContact O-N 3.04Å; Y328-I336 HydrophobicContact CD2-CD1 4.01Å; Y328-I364 HydrophobicContact CD2-CG1 3.85Å; Y328-I364 HydrophobicContact CE2-CD1 4.19Å; Y328-I364 HydrophobicContact CE2-CG1 3.53Å; Y328-L367 HydrophobicContact CD1-CD1 3.82Å; Y328-L367 HydrophobicContact CD2-CD1 4.26Å; Y328-L367 HydrophobicContact CE1-CD1 4.23Å; Y328-L367 HydrophobicContact CG-CD1 3.88Å
329	L	95.2	Very high	93.5	Very high	66 Å²	66	79.9 Å²	79.9	35%	0.346	39%	0.385	S	S	.	.	H	α-helix	trans	-68.8	-55.1	173.4	-175.2	59.2	0	0	0	111.7	V325 E326 K331 N333 I334 R335	V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.39Å; V325-L329 PolarHBondContact O-N 2.81Å; E326-L329 PolarHBondContact O-N 2.97Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 2.97Å; L329-N333 WeakPolarHBondContact O-CA 3.47Å; L329-N333 PolarHBondContact O-N 2.85Å; L329-I334 WeakPolarHBondContact CA-O 3.39Å; L329-I334 PolarHBondContact N-O 3.46Å; L329-R335 HydrophobicContact CD1-CG 3.92Å
330	T	92.8	Very high	94.2	Very high	116 Å²	116	82.5 Å²	82.5	71%	0.712	38%	0.382	S	S	*	.	H	α-helix	trans	-64	-35.3	-177.1	-57	0	0	0	0	113	E326	E326-T330 VanDerWaalsContact O-CB 3.31Å; E326-T330 WeakPolarHBondContact O-CB 3.27Å; E326-T330 PolarHBondContact O-N 2.67Å; E326-T330 PolarHBondContact O-OG1 3.46Å
331	K	92.3	Very high	94.6	Very high	116 Å²	116	72.8 Å²	72.8	50%	0.504	35%	0.346	S	S	.	.	H	α-helix	trans	-95.2	-29.5	-171.6	-171.5	172.5	173.6	176.5	0	114.9	Y327 L329	Y327-K331 HydrophobicContact CD2-CD 4.2Å; Y327-K331 HydrophobicContact CE1-CD 4.49Å; Y327-K331 HydrophobicContact CE2-CD 3.41Å; Y327-K331 VanDerWaalsContact CE2-CD 3.41Å; Y327-K331 WeakPolarHBondContact O-CB 3.44Å; Y327-K331 PolarHBondContact O-N 2.63Å; Y327-K331 PolarHBondContact OH-NZ 2.94Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 2.97Å
332	Y	92.8	Very high	94.8	Very high	63 Å²	63	68.6 Å²	68.6	25%	0.247	32%	0.324	C	S	.	.	H	α-helix	trans	-129.6	0.9	-175.3	-51.8	-79.6	0	0	0	113.3	Y295 N296 Y327 Y328 I334	Y295-Y332 AromaticContact CD2-CD1 3.84Å; Y295-Y332 HydrophobicContact CD2-CD1 3.84Å; Y295-Y332 AromaticContact CD2-CD2 3.97Å; Y295-Y332 HydrophobicContact CD2-CD2 3.97Å; Y295-Y332 AromaticContact CD2-CE1 3.63Å; Y295-Y332 HydrophobicContact CD2-CE1 3.63Å; Y295-Y332 AromaticContact CD2-CE2 3.75Å; Y295-Y332 HydrophobicContact CD2-CE2 3.75Å; Y295-Y332 HydrophobicContact CD2-CG 4Å; Y295-Y332 AromaticContact CD2-CZ 3.56Å; Y295-Y332 HydrophobicContact CE2-CD2 4.43Å; Y295-Y332 HydrophobicContact CE2-CE1 4.28Å; Y295-Y332 AromaticContact CE2-CE2 3.85Å; Y295-Y332 HydrophobicContact CE2-CE2 3.85Å; Y295-Y332 AromaticContact CE2-CZ 3.75Å; Y295-Y332 HydrophobicContact CG-CD1 4.42Å; Y295-Y332 HydrophobicContact CG-CD2 4.5Å; Y295-Y332 HydrophobicContact CG-CG 4.35Å; N296-Y332 HydrophobicContact CB-CE1 4.45Å; Y327-Y332 HydrophobicContact CE1-CE2 4.1Å; Y328-Y332 AromaticContact CD1-CD2 3.69Å; Y328-Y332 HydrophobicContact CD1-CD2 3.69Å; Y328-Y332 AromaticContact CD1-CE2 3.91Å; Y328-Y332 HydrophobicContact CD1-CE2 3.91Å; Y328-Y332 HydrophobicContact CE1-CD2 4.18Å; Y328-Y332 AromaticContact CE1-CE2 3.94Å; Y328-Y332 HydrophobicContact CE1-CE2 3.94Å; Y328-Y332 PolarHBondContact O-N 2.72Å; Y328-Y332 VanDerWaalsContact O-N 3.16Å; Y332-I334 VanDerWaalsContact C-N 3.29Å; Y332-I334 PolarHBondContact O-N 2.8Å
333	N	95.2	Very high	94.8	Very high	136 Å²	136	66.9 Å²	66.9	73%	0.727	32%	0.316	S	S	*	.			trans	56.2	38	-173.6	-160.5	19.4	0	0	0	113.8	Y328 L329	Y328-N333 PolarHBondContact O-N 3.07Å; L329-N333 WeakPolarHBondContact O-CA 3.47Å; L329-N333 PolarHBondContact O-N 2.85Å
334	I	94.9	Very high	94.8	Very high	44 Å²	44	66.6 Å²	66.6	23%	0.226	31%	0.313	C	S	.	.			trans	-111.2	125.1	-178.2	-70.2	170.4	0	0	0	110.4	Y295 Y328 L329 Y332 L367	Y295-I334 VanDerWaalsContact CB-CD1 3.43Å; Y295-I334 HydrophobicContact CD1-CD1 4.4Å; Y295-I334 HydrophobicContact CG-CD1 4.25Å; Y328-I334 CarbonylContact C-O 3.26Å; Y328-I334 PolarHBondContact O-N 3.04Å; L329-I334 WeakPolarHBondContact CA-O 3.39Å; L329-I334 PolarHBondContact N-O 3.46Å; Y332-I334 VanDerWaalsContact C-N 3.29Å; Y332-I334 PolarHBondContact O-N 2.8Å; I334-L367 HydrophobicContact CG2-CD1 3.97Å; I334-L367 HydrophobicContact CG2-CD2 3.64Å; I334-L367 HydrophobicContact CG2-CG 4.49Å
335	R	95.6	Very high	94.7	Very high	199 Å²	199	67.4 Å²	67.4	75%	0.751	32%	0.318	S	S	*	.			trans	-90.1	126.7	169.8	-62	-178.4	-176.2	-156.6	0.2	109.4	L329	L329-R335 HydrophobicContact CD1-CG 3.92Å
336	I	96.3	Very high	94.4	Very high	9 Å²	9	66.2 Å²	66.2	5%	0.046	31%	0.311	C	S	.	.			trans	-78.9	138.8	168.8	-60.3	173.9	0	0	0	107.3	P311 V325 Y328 D338 I364 E366 L367	P311-I336 HydrophobicContact CB-CD1 3.98Å; P311-I336 HydrophobicContact CB-CG2 4.08Å; P311-I336 HydrophobicContact CG-CG2 3.96Å; V325-I336 HydrophobicContact CG2-CD1 4.21Å; Y328-I336 HydrophobicContact CD2-CD1 4.01Å; I336-D338 WeakPolarHBondContact CG2-O 3.39Å; I336-I364 HydrophobicContact CD1-CD1 4.05Å; I336-I364 HydrophobicContact CD1-CG1 3.76Å; I336-I364 HydrophobicContact CD1-CG2 4.19Å; I336-I364 HydrophobicContact CG1-CG2 4.42Å; I336-I364 HydrophobicContact CG2-CG2 4.19Å; I336-E366 WeakPolarHBondContact CG2-OE2 3.49Å; I336-L367 HydrophobicContact CG1-CD1 4.36Å
337	R	95.3	Very high	93.8	Very high	195 Å²	195	65.7 Å²	65.7	74%	0.736	31%	0.307	S	S	*	.	S	Bend	trans	-97.4	-42.2	-177.3	-72.4	169.1	-68.3	160.3	7.3	113	E366	R337-E366 WeakPolarHBondContact CB-OE1 3.45Å; R337-E366 IonicContact CZ-OE1 3.62Å; R337-E366 PolarHBondContact N-OE1 3.06Å; R337-E366 PolarHBondContact N-OE2 3.42Å; R337-E366 IonicContact NE-OE1 3.83Å; R337-E366 PolarHBondContact NE-OE1 2.66Å; R337-E366 IonicContact NH2-OE1 2.69Å; R337-E366 PolarHBondContact NH2-OE1 2.63Å
338	D	94.8	Very high	92.4	Very high	43 Å²	43	67 Å²	67	23%	0.23	32%	0.317	C	S	.	.			trans	-96.9	114.1	177.2	-168.6	-24.3	0	0	0	110.3	Y265 I336 N340 Q341 E366	Y265-D338 HydrophobicContact CE2-CB 3.77Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.47Å; Y265-D338 PolarHBondContact OH-OD2 2.85Å; I336-D338 WeakPolarHBondContact CG2-O 3.39Å; D338-N340 WeakPolarHBondContact OD1-CA 3.35Å; D338-N340 PolarHBondContact OD1-N 3.33Å; D338-Q341 HydrophobicContact CB-CB 4.34Å; D338-Q341 WeakPolarHBondContact O-CG 3.41Å; D338-Q341 PolarHBondContact O-NE2 2.85Å; D338-Q341 PolarHBondContact OD1-N 3.46Å; D338-E366 PolarHBondContact N-OE2 3.15Å
339	H	95.7	Very high	90.4	Very high	71 Å²	71	75.4 Å²	75.4	33%	0.329	35%	0.349	S	S	.	.	S	Bend	trans	-87	-2.2	178.5	-66.9	137.2	0	0	0	114.6	T310 K312	T310-H339 WeakPolarHBondContact CB-O 3.37Å; K312-H339 HydrophobicContact CD-CB 4.34Å; K312-H339 HydrophobicContact CG-CB 4.33Å
340	N	93.4	Very high	88	Confident	125 Å²	125	78.4 Å²	78.4	67%	0.668	37%	0.365	S	S	*	.	S	Bend	trans	-111.3	-3.7	-178.4	-59.8	-16.1	0	0	0	112.4	D338	D338-N340 WeakPolarHBondContact OD1-CA 3.35Å; D338-N340 PolarHBondContact OD1-N 3.33Å
341	Q	94.3	Very high	85.8	Confident	4 Å²	4	77.1 Å²	77.1	2%	0.019	35%	0.349	C	S	.	.			trans	-60.7	143.3	176.2	71.8	-172.3	-76.8	0	0	111.7	Y265 P311 D338 I364 P365 E366	Y265-Q341 HydrophobicContact CD2-CB 4Å; Y265-Q341 HydrophobicContact CE2-CB 4.03Å; P311-Q341 VanDerWaalsContact CD-O 3.28Å; P311-Q341 WeakPolarHBondContact CD-O 3.4Å; P311-Q341 HydrophobicContact CG-CG 3.75Å; D338-Q341 HydrophobicContact CB-CB 4.34Å; D338-Q341 WeakPolarHBondContact O-CG 3.41Å; D338-Q341 PolarHBondContact O-NE2 2.85Å; D338-Q341 PolarHBondContact OD1-N 3.46Å; Q341-I364 HydrophobicContact CG-CG2 4.46Å; Q341-I364 VanDerWaalsContact OE1-CG2 3.31Å; Q341-P365 VanDerWaalsContact OE1-CD 3.25Å; Q341-E366 PolarHBondContact NE2-OE2 3.01Å; Q341-E366 VanDerWaalsContact OE1-CB 3.3Å
342	P	94.8	Very high	83.4	Confident	23 Å²	23	73 Å²	73	15%	0.149	34%	0.338	C	S	.	.			trans	-67.9	169.7	175.6	31	-37.2	0	0	0	111.4	M268 V305 D306 F307 P365	M268-P342 HydrophobicContact CE-CG 3.81Å; M268-P342 HydrophobicContact SD-CG 3.7Å; V305-P342 HydrophobicContact CG1-CB 4.01Å; V305-P342 HydrophobicContact CG1-CG 4.2Å; D306-P342 CarbonylContact O-C 3.49Å; D306-P342 WeakPolarHBondContact O-CA 3.46Å; D306-P342 WeakPolarHBondContact O-CB 3.38Å; F307-P342 HydrophobicContact CD1-CB 3.82Å; F307-P342 HydrophobicContact CD1-CG 4.15Å; F307-P342 HydrophobicContact CE1-CB 4.27Å; F307-P342 HydrophobicContact CE1-CG 4.17Å; F307-P342 HydrophobicContact CG-CB 4.18Å; P342-P365 WeakPolarHBondContact O-CD 3.45Å; P342-P365 WeakPolarHBondContact O-CG 3.4Å
343	L	95.7	Very high	81.1	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	146.9	178.1	-57.5	-172.2	0	0	0	112.6	D306 Q309 P311 F324 V362 I364	D306-L343 PolarHBondContact N-O 3.33Å; D306-L343 PolarHBondContact O-N 3.09Å; Q309-L343 HydrophobicContact CB-CD1 3.56Å; Q309-L343 HydrophobicContact CB-CG 4.03Å; P311-L343 HydrophobicContact CG-CD2 4.47Å; F324-L343 HydrophobicContact CD2-CD1 3.86Å; F324-L343 HydrophobicContact CE2-CD1 3.4Å; F324-L343 VanDerWaalsContact CE2-CD1 3.4Å; F324-L343 HydrophobicContact CZ-CD1 3.98Å; L343-V362 HydrophobicContact CB-CG1 3.66Å; L343-V362 HydrophobicContact CD1-CG1 3.53Å; L343-V362 HydrophobicContact CG-CG1 4.16Å; L343-I364 HydrophobicContact CD2-CD1 3.56Å
344	L	94.9	Very high	78.6	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.7	177.7	-51.8	177.3	0	0	0	110.3	I264 M268 V286 I302 V305 V362 L363 P365 C368	I264-L344 HydrophobicContact CB-CD1 4.12Å; I264-L344 HydrophobicContact CG1-CD1 4.02Å; I264-L344 HydrophobicContact CG2-CD1 4.01Å; I264-L344 HydrophobicContact CG2-CD2 3.9Å; M268-L344 HydrophobicContact CE-CD2 3.54Å; V286-L344 HydrophobicContact CG1-CD2 4.15Å; I302-L344 HydrophobicContact CD1-CD1 3.83Å; I302-L344 HydrophobicContact CD1-CD2 4.25Å; I302-L344 HydrophobicContact CD1-CG 4.5Å; I302-L344 HydrophobicContact CG1-CD1 4.38Å; I302-L344 HydrophobicContact CG2-CB 4.38Å; I302-L344 HydrophobicContact CG2-CD2 4.38Å; V305-L344 HydrophobicContact CG1-CD2 4.47Å; V305-L344 HydrophobicContact CG2-CD2 4.01Å; L344-V362 WeakPolarHBondContact O-CA 3.48Å; L344-L363 HydrophobicContact CB-CB 4.22Å; L344-L363 PolarHBondContact N-O 3.08Å; L344-L363 PolarHBondContact O-N 3.04Å; L344-P365 HydrophobicContact CD1-CG 4.4Å; L344-P365 HydrophobicContact CD2-CG 4.08Å; L344-P365 HydrophobicContact CG-CG 3.95Å; L344-C368 HydrophobicContact CD1-CB 4.03Å
345	I	92.9	Very high	76.2	Confident	24 Å²	24	80 Å²	80	12%	0.123	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.7	176.7	-61.3	-178.9	0	0	0	110.1	N303 D304 D306 K347 L360	N303-I345 PolarHBondContact N-O 2.83Å; D304-I345 HydrophobicContact CB-CB 3.92Å; D304-I345 HydrophobicContact CB-CD1 4.32Å; D304-I345 HydrophobicContact CB-CG1 4.49Å; D304-I345 HydrophobicContact CB-CG2 4.48Å; D304-I345 PolarHBondContact N-O 2.92Å; D304-I345 VanDerWaalsContact N-O 3.12Å; D304-I345 PolarHBondContact O-N 3.43Å; D306-I345 HydrophobicContact CB-CD1 4.02Å; D306-I345 HydrophobicContact CB-CG1 4.35Å; I345-K347 HydrophobicContact CG2-CG 4.16Å; I345-L360 HydrophobicContact CG2-CD2 3.62Å
346	S	90.3	Very high	73.8	Confident	9 Å²	9	78.1 Å²	78.1	6%	0.063	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.3	170.4	165.2	0	0	0	0	110	R301 V361	R301-S346 WeakPolarHBondContact O-CB 3.29Å; R301-S346 PolarHBondContact O-OG 2.84Å; S346-V361 PolarHBondContact N-O 2.86Å; S346-V361 PolarHBondContact O-N 3.01Å
347	K	83	Confident	71.4	Confident	90 Å²	90	80.6 Å²	80.6	39%	0.391	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	107.7	-179.7	-74.5	165.2	178.2	164.2	0	109.5	N303 I345 R349 L360	N303-K347 HydrophobicContact CB-CB 4.39Å; N303-K347 HydrophobicContact CB-CD 4.44Å; N303-K347 PolarHBondContact OD1-N 2.84Å; N303-K347 PolarHBondContact OD1-O 2.94Å; I345-K347 HydrophobicContact CG2-CG 4.16Å; K347-R349 PolarHBondContact O-N 3.31Å; K347-L360 HydrophobicContact CD-CD2 4.19Å; K347-L360 HydrophobicContact CG-CD2 3.55Å
348	N	64.1	Low	69.2	Low	67 Å²	67	74.6 Å²	74.6	36%	0.358	39%	0.389	S	S	.	.			trans	-76	82.4	-178.3	-170.3	-12.8	0	0	0	112	D350 K351 A352	N348-D350 VanDerWaalsContact C-N 3.3Å; N348-D350 PolarHBondContact O-N 3.48Å; N348-K351 HydrophobicContact CB-CB 4.3Å; N348-K351 PolarHBondContact O-N 2.88Å; N348-K351 VanDerWaalsContact O-N 3.14Å; N348-K351 PolarHBondContact OD1-N 3.01Å; N348-A352 PolarHBondContact O-N 3.01Å
349	R	53.7	Low	67.8	Low	183 Å²	183	76.7 Å²	76.7	69%	0.691	40%	0.397	S	S	*	.	H	α-helix	trans	-52.7	-42.5	-178.4	-77.1	-174.4	167.3	-166.1	-5.5	113.7	K347 K351 A352 L353	K347-R349 PolarHBondContact O-N 3.31Å; R349-K351 PolarHBondContact O-N 2.83Å; R349-A352 PolarHBondContact O-N 3.06Å; R349-L353 PolarHBondContact O-N 3.36Å; R349-L353 VanDerWaalsContact O-N 3.14Å
350	D	46.4	Very low	66.9	Low	129 Å²	129	78 Å²	78	69%	0.69	41%	0.406	S	S	*	.	H	α-helix	trans	-69.1	-22.2	-175.9	-63.5	-7.9	0	0	0	112.9	N348	N348-D350 VanDerWaalsContact C-N 3.3Å; N348-D350 PolarHBondContact O-N 3.48Å
351	K	45.1	Very low	66.7	Low	88 Å²	88	73.7 Å²	73.7	38%	0.383	38%	0.384	S	S	.	.	H	α-helix	trans	-87.5	-45.5	168	-97.9	-167	169.2	-170.3	0	112.6	N348 R349 L353 K354 T355 E359	N348-K351 HydrophobicContact CB-CB 4.3Å; N348-K351 PolarHBondContact O-N 2.88Å; N348-K351 VanDerWaalsContact O-N 3.14Å; N348-K351 PolarHBondContact OD1-N 3.01Å; R349-K351 PolarHBondContact O-N 2.83Å; K351-L353 PolarHBondContact O-N 2.96Å; K351-K354 WeakPolarHBondContact O-CA 3.18Å; K351-K354 WeakPolarHBondContact O-CB 3.46Å; K351-K354 PolarHBondContact O-N 2.92Å; K351-T355 PolarHBondContact O-N 3.01Å; K351-T355 VanDerWaalsContact O-N 3.15Å; K351-T355 PolarHBondContact O-OG1 2.87Å; K351-T355 VanDerWaalsContact O-OG1 3.12Å; K351-E359 WeakPolarHBondContact CD-OE2 3.36Å; K351-E359 WeakPolarHBondContact CE-OE2 3.49Å; K351-E359 IonicContact NZ-OE1 2.63Å; K351-E359 PolarHBondContact NZ-OE1 2.84Å; K351-E359 IonicContact NZ-OE2 2.65Å; K351-E359 PolarHBondContact NZ-OE2 2.85Å
352	A	43	Very low	66.6	Low	31 Å²	31	75.1 Å²	75.1	26%	0.256	39%	0.393	S	S	.	.	H	α-helix	trans	-55.8	-39.4	-175.7	0	0	0	0	0	111.9	N348 R349 K354 N356	N348-A352 PolarHBondContact O-N 3.01Å; R349-A352 PolarHBondContact O-N 3.06Å; A352-K354 PolarHBondContact O-N 3.29Å; A352-K354 VanDerWaalsContact O-N 3.16Å; A352-N356 PolarHBondContact O-N 2.96Å
353	L	44.3	Very low	66.6	Low	148 Å²	148	74.1 Å²	74.1	78%	0.775	39%	0.386	S	S	*	.	H	α-helix	trans	-65	-8.4	173.3	-75.5	166.3	0	0	0	115.3	R349 K351	R349-L353 PolarHBondContact O-N 3.36Å; R349-L353 VanDerWaalsContact O-N 3.14Å; K351-L353 PolarHBondContact O-N 2.96Å
354	K	42	Very low	66.7	Low	160 Å²	160	74.1 Å²	74.1	70%	0.696	39%	0.386	S	S	*	.	H	α-helix	trans	-119.6	-16.4	-174.8	-65.4	-172.7	176.8	-172.1	0	114.5	K351 A352	K351-K354 WeakPolarHBondContact O-CA 3.18Å; K351-K354 WeakPolarHBondContact O-CB 3.46Å; K351-K354 PolarHBondContact O-N 2.92Å; A352-K354 PolarHBondContact O-N 3.29Å; A352-K354 VanDerWaalsContact O-N 3.16Å
355	T	45.6	Very low	66.7	Low	82 Å²	82	74 Å²	74	50%	0.503	39%	0.386	S	S	.	.	H	α-helix	trans	-128.3	-4.2	-173.1	51.2	0	0	0	0	115.1	K351 A357	K351-T355 PolarHBondContact O-N 3.01Å; K351-T355 VanDerWaalsContact O-N 3.15Å; K351-T355 PolarHBondContact O-OG1 2.87Å; K351-T355 VanDerWaalsContact O-OG1 3.12Å; T355-A357 PolarHBondContact O-N 3.45Å; T355-A357 PolarHBondContact OG1-O 3.5Å
356	N	43.6	Very low	66.8	Low	159 Å²	159	73.6 Å²	73.6	85%	0.85	38%	0.383	S	S	*	.	S	Bend	trans	56.8	-30.2	-168.2	-76.6	-3.7	0	0	0	115.8	A352 S358	A352-N356 PolarHBondContact O-N 2.96Å; N356-S358 PolarHBondContact O-N 3.16Å
357	A	46.3	Very low	67.1	Low	61 Å²	61	74.3 Å²	74.3	50%	0.504	39%	0.386	S	S	.	.	S	Bend	trans	-63.3	111.7	164.8	0	0	0	0	0	110.4	T355 E359	T355-A357 PolarHBondContact O-N 3.45Å; T355-A357 PolarHBondContact OG1-O 3.5Å; A357-E359 PolarHBondContact O-N 3.48Å
358	S	49.8	Very low	67.5	Low	69 Å²	69	70 Å²	70	48%	0.483	37%	0.368	S	S	.	.			trans	-73.1	89.8	166.7	171.9	0	0	0	0	109.3	N356 L360	N356-S358 PolarHBondContact O-N 3.16Å; S358-L360 PolarHBondContact O-N 2.88Å
359	E	64.1	Low	68.8	Low	87 Å²	87	68.1 Å²	68.1	41%	0.407	36%	0.356	S	S	.	.			trans	-60.6	86.8	166	-80.3	-174.1	-174.4	0	0	110.1	K351 A357 V361	K351-E359 WeakPolarHBondContact CD-OE2 3.36Å; K351-E359 WeakPolarHBondContact CE-OE2 3.49Å; K351-E359 IonicContact NZ-OE1 2.63Å; K351-E359 PolarHBondContact NZ-OE1 2.84Å; K351-E359 IonicContact NZ-OE2 2.65Å; K351-E359 PolarHBondContact NZ-OE2 2.85Å; A357-E359 PolarHBondContact O-N 3.48Å; E359-V361 PolarHBondContact O-N 3.25Å
360	L	77.6	Confident	70.4	Confident	97 Å²	97	59.4 Å²	59.4	51%	0.508	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	117.3	164.6	-77	160.6	0	0	0	107.9	I345 K347 S358	I345-L360 HydrophobicContact CG2-CD2 3.62Å; K347-L360 HydrophobicContact CD-CD2 4.19Å; K347-L360 HydrophobicContact CG-CD2 3.55Å; S358-L360 PolarHBondContact O-N 2.88Å
361	V	88.8	Confident	72.3	Confident	35 Å²	35	54.1 Å²	54.1	21%	0.212	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	120.4	171.9	-174.4	0	0	0	0	108	Y300 S346 E359 L363	Y300-V361 HydrophobicContact CD1-CB 4.41Å; Y300-V361 HydrophobicContact CD1-CG1 4.18Å; Y300-V361 HydrophobicContact CE1-CB 4.19Å; Y300-V361 HydrophobicContact CE1-CG1 3.72Å; Y300-V361 HydrophobicContact CE1-CG2 4.16Å; S346-V361 PolarHBondContact N-O 2.86Å; S346-V361 PolarHBondContact O-N 3.01Å; E359-V361 PolarHBondContact O-N 3.25Å; V361-L363 HydrophobicContact CG1-CD2 3.67Å; V361-L363 HydrophobicContact CG1-CG 4.11Å
362	V	92.9	Very high	74	Confident	34 Å²	34	51.2 Å²	51.2	21%	0.206	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.9	177.8	-172.5	0	0	0	0	108.8	F324 L343 L344	F324-V362 HydrophobicContact CE1-CB 3.99Å; F324-V362 HydrophobicContact CE1-CG1 4.06Å; F324-V362 HydrophobicContact CE2-CG1 4.38Å; F324-V362 HydrophobicContact CZ-CB 3.89Å; F324-V362 HydrophobicContact CZ-CG1 3.68Å; L343-V362 HydrophobicContact CB-CG1 3.66Å; L343-V362 HydrophobicContact CD1-CG1 3.53Å; L343-V362 HydrophobicContact CG-CG1 4.16Å; L344-V362 WeakPolarHBondContact O-CA 3.48Å
363	L	95.5	Very high	75.8	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.9	-172.6	-52.6	169.6	0	0	0	111.6	V291 T293 Y300 L344 V361	V291-L363 HydrophobicContact CG2-CD1 4.42Å; T293-L363 HydrophobicContact CG2-CD1 4.49Å; T293-L363 HydrophobicContact CG2-CD2 4.25Å; Y300-L363 HydrophobicContact CD1-CD1 4.28Å; Y300-L363 HydrophobicContact CD2-CD1 3.65Å; Y300-L363 HydrophobicContact CD2-CD2 4.28Å; Y300-L363 HydrophobicContact CE2-CD1 4.37Å; Y300-L363 HydrophobicContact CE2-CD2 4.19Å; Y300-L363 HydrophobicContact CG-CD1 3.59Å; L344-L363 HydrophobicContact CB-CB 4.22Å; L344-L363 PolarHBondContact N-O 3.08Å; L344-L363 PolarHBondContact O-N 3.04Å; V361-L363 HydrophobicContact CG1-CD2 3.67Å; V361-L363 HydrophobicContact CG1-CG 4.11Å
364	I	96.8	Very high	77.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.			trans	-90.2	123.5	179	-51.9	-54.6	0	0	0	109.4	P311 F324 Y328 I336 Q341 L343 E366 L367 C368	P311-I364 HydrophobicContact CB-CD1 4.39Å; P311-I364 HydrophobicContact CG-CD1 4.17Å; F324-I364 HydrophobicContact CB-CD1 3.91Å; F324-I364 HydrophobicContact CG-CD1 4.2Å; Y328-I364 HydrophobicContact CD2-CG1 3.85Å; Y328-I364 HydrophobicContact CE2-CD1 4.19Å; Y328-I364 HydrophobicContact CE2-CG1 3.53Å; I336-I364 HydrophobicContact CD1-CD1 4.05Å; I336-I364 HydrophobicContact CD1-CG1 3.76Å; I336-I364 HydrophobicContact CD1-CG2 4.19Å; I336-I364 HydrophobicContact CG1-CG2 4.42Å; I336-I364 HydrophobicContact CG2-CG2 4.19Å; Q341-I364 HydrophobicContact CG-CG2 4.46Å; Q341-I364 VanDerWaalsContact OE1-CG2 3.31Å; L343-I364 HydrophobicContact CD2-CD1 3.56Å; I364-E366 VanDerWaalsContact C-N 3.26Å; I364-E366 HydrophobicContact CG2-CB 4.03Å; I364-E366 PolarHBondContact O-N 2.96Å; I364-L367 HydrophobicContact CB-CB 4.28Å; I364-L367 HydrophobicContact CB-CD1 4.14Å; I364-L367 HydrophobicContact CB-CG 4Å; I364-L367 HydrophobicContact CG1-CD1 4.26Å; I364-L367 HydrophobicContact CG2-CG 4.12Å; I364-L367 PolarHBondContact O-N 3.33Å; I364-C368 PolarHBondContact O-N 2.79Å; I364-C368 PolarHBondContact O-SG 2.88Å
365	P	95.5	Very high	78.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-50.8	-40.1	178	-29.1	32.8	0	0	0	115.1	I264 Y265 M268 Q341 P342 L344 L367 C368	I264-P365 HydrophobicContact CB-CB 4.14Å; I264-P365 HydrophobicContact CG2-CB 4.06Å; I264-P365 PolarHBondContact N-O 3.29Å; Y265-P365 PolarHBondContact N-O 2.92Å; M268-P365 HydrophobicContact CE-CG 4.08Å; M268-P365 HydrophobicContact SD-CB 3.81Å; M268-P365 HydrophobicContact SD-CG 3.75Å; Q341-P365 VanDerWaalsContact OE1-CD 3.25Å; P342-P365 WeakPolarHBondContact O-CD 3.45Å; P342-P365 WeakPolarHBondContact O-CG 3.4Å; L344-P365 HydrophobicContact CD1-CG 4.4Å; L344-P365 HydrophobicContact CD2-CG 4.08Å; L344-P365 HydrophobicContact CG-CG 3.95Å; P365-L367 PolarHBondContact O-N 3.44Å; P365-C368 PolarHBondContact O-N 2.82Å
366	E	95.4	Very high	79.8	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.065	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-62.1	-29.4	178.4	-172.6	-173.7	163	0	0	112.9	T263 I336 R337 D338 Q341 I364	T263-E366 WeakPolarHBondContact CG2-O 3.44Å; I336-E366 WeakPolarHBondContact CG2-OE2 3.49Å; R337-E366 WeakPolarHBondContact CB-OE1 3.45Å; R337-E366 IonicContact CZ-OE1 3.62Å; R337-E366 PolarHBondContact N-OE1 3.06Å; R337-E366 PolarHBondContact N-OE2 3.42Å; R337-E366 IonicContact NE-OE1 3.83Å; R337-E366 PolarHBondContact NE-OE1 2.66Å; R337-E366 IonicContact NH2-OE1 2.69Å; R337-E366 PolarHBondContact NH2-OE1 2.63Å; D338-E366 PolarHBondContact N-OE2 3.15Å; Q341-E366 PolarHBondContact NE2-OE2 3.01Å; Q341-E366 VanDerWaalsContact OE1-CB 3.3Å; I364-E366 VanDerWaalsContact C-N 3.26Å; I364-E366 HydrophobicContact CG2-CB 4.03Å; I364-E366 PolarHBondContact O-N 2.96Å
367	L	94.6	Very high	81.5	Confident	24 Å²	24	39.3 Å²	39.3	13%	0.126	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-98.4	11.1	-177.8	-51.3	-175.5	0	0	0	112.9	Y295 Y328 I334 I336 I364 P365	Y295-L367 HydrophobicContact CD1-CB 4.11Å; Y295-L367 HydrophobicContact CD1-CD1 4.35Å; Y295-L367 HydrophobicContact CE1-CB 3.83Å; Y295-L367 HydrophobicContact CE1-CD1 4.21Å; Y328-L367 HydrophobicContact CD1-CD1 3.82Å; Y328-L367 HydrophobicContact CD2-CD1 4.26Å; Y328-L367 HydrophobicContact CE1-CD1 4.23Å; Y328-L367 HydrophobicContact CG-CD1 3.88Å; I334-L367 HydrophobicContact CG2-CD1 3.97Å; I334-L367 HydrophobicContact CG2-CD2 3.64Å; I334-L367 HydrophobicContact CG2-CG 4.49Å; I336-L367 HydrophobicContact CG1-CD1 4.36Å; I364-L367 HydrophobicContact CB-CB 4.28Å; I364-L367 HydrophobicContact CB-CD1 4.14Å; I364-L367 HydrophobicContact CB-CG 4Å; I364-L367 HydrophobicContact CG1-CD1 4.26Å; I364-L367 HydrophobicContact CG2-CG 4.12Å; I364-L367 PolarHBondContact O-N 3.33Å; P365-L367 PolarHBondContact O-N 3.44Å
368	C	93.3	Very high	82.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.			trans	-122.2	109.5	-174.5	-69	0	0	0	0	111.6	T263 I264 V291 L292 L344 I364 P365	T263-C368 CarbonylContact C-O 3.57Å; T263-C368 VanDerWaalsContact CA-O 3.28Å; T263-C368 WeakPolarHBondContact CA-O 3.44Å; I264-C368 HydrophobicContact CG1-CB 4.09Å; I264-C368 PolarHBondContact N-O 3.43Å; V291-C368 HydrophobicContact CB-CB 4Å; V291-C368 HydrophobicContact CG1-CB 4.09Å; V291-C368 HydrophobicContact CG2-CB 4.15Å; L292-C368 CarbonylContact O-C 3.52Å; L292-C368 WeakPolarHBondContact O-CA 3.25Å; L344-C368 HydrophobicContact CD1-CB 4.03Å; I364-C368 PolarHBondContact O-N 2.79Å; I364-C368 PolarHBondContact O-SG 2.88Å; P365-C368 PolarHBondContact O-N 2.82Å
369	R	90.3	Very high	84	Confident	28 Å²	28	45.5 Å²	45.5	11%	0.106	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	142.1	175.5	-74.1	169.5	72	178	5.5	111.9	E232 M259 R260 T263 V291 L292 D294	E232-R369 IonicContact OE1-CZ 3.19Å; E232-R369 IonicContact OE1-NH1 2.81Å; E232-R369 PolarHBondContact OE1-NH1 2.7Å; E232-R369 IonicContact OE1-NH2 3.05Å; E232-R369 PolarHBondContact OE1-NH2 3.16Å; E232-R369 IonicContact OE2-NH1 3.58Å; E232-R369 IonicContact OE2-NH2 2.79Å; M259-R369 HydrophobicContact CE-CB 4.45Å; R260-R369 PolarHBondContact O-NE 2.91Å; R260-R369 PolarHBondContact O-NH2 2.85Å; T263-R369 HydrophobicContact CG2-CG 4.24Å; V291-R369 CarbonylContact C-O 3.41Å; V291-R369 WeakPolarHBondContact CA-O 3.33Å; V291-R369 WeakPolarHBondContact CB-O 3.45Å; L292-R369 PolarHBondContact N-O 3.06Å; L292-R369 PolarHBondContact O-N 3.16Å; D294-R369 WeakPolarHBondContact OD1-CD 3.45Å; D294-R369 WeakPolarHBondContact OD2-CD 3.16Å; D294-R369 IonicContact OD2-CZ 2.84Å; D294-R369 IonicContact OD2-NE 3.21Å; D294-R369 IonicContact OD2-NH1 3.89Å; D294-R369 PolarHBondContact OD2-NH1 3.47Å
370	V	88.4	Confident	84.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.8	-177.4	-177.5	0	0	0	0	111.8	R260 E262 I264 I267 L289	R260-V370 HydrophobicContact CB-CB 4.41Å; R260-V370 WeakPolarHBondContact CB-O 3.31Å; R260-V370 HydrophobicContact CG-CB 4.35Å; R260-V370 WeakPolarHBondContact CG-O 3.4Å; R260-V370 VanDerWaalsContact CZ-CG1 3.46Å; R260-V370 PolarHBondContact N-O 3.48Å; E262-V370 PolarHBondContact O-N 3.18Å; I264-V370 HydrophobicContact CD1-CG2 3.44Å; I264-V370 VanDerWaalsContact CD1-CG2 3.44Å; I264-V370 HydrophobicContact CG1-CG2 4.25Å; I267-V370 HydrophobicContact CD1-CG2 3.61Å; L289-V370 HydrophobicContact CD1-CG1 4.07Å; L289-V370 HydrophobicContact CD1-CG2 4.08Å; L289-V370 HydrophobicContact CD2-CG1 4.46Å
371	T	84.6	Confident	85	Confident	17 Å²	17	47.1 Å²	47.1	10%	0.104	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	143.6	173.6	78.1	0	0	0	0	111.8	M259 I290 L292 T299	M259-T371 HydrophobicContact CE-CG2 3.88Å; M259-T371 HydrophobicContact SD-CG2 3.64Å; I290-T371 WeakPolarHBondContact O-CB 3.46Å; I290-T371 WeakPolarHBondContact O-CG2 3.35Å; I290-T371 PolarHBondContact O-N 3.21Å; I290-T371 PolarHBondContact O-OG1 3.41Å; L292-T371 HydrophobicContact CB-CG2 4.02Å; T299-T371 HydrophobicContact CG2-CG2 4.37Å
372	G	81.6	Confident	84.8	Confident	27 Å²	27	52 Å²	52	28%	0.278	27%	0.273	S	S	.	.	S	Bend	trans	71.2	179.7	176.2	0	0	0	0	0	116	V258 R260	V258-G372 PolarHBondContact O-N 3.2Å; R260-G372 PolarHBondContact NE-O 2.91Å; R260-G372 PolarHBondContact NH2-O 2.94Å
373	L	80	Confident	84.5	Confident	30 Å²	30	50.6 Å²	50.6	16%	0.157	26%	0.264	C	S	.	.			trans	-101.3	136.2	-170.1	-56.2	170.6	0	0	0	111.8	M231 V258 M377 R378 M384 M387	M231-L373 HydrophobicContact SD-CD2 3.73Å; V258-L373 HydrophobicContact CG1-CD2 3.9Å; V258-L373 HydrophobicContact CG1-CG 4.38Å; L373-M377 HydrophobicContact CB-CB 4.13Å; L373-M377 HydrophobicContact CD2-CB 4.07Å; L373-M377 HydrophobicContact CD2-CE 3.72Å; L373-M377 HydrophobicContact CD2-SD 4.4Å; L373-R378 HydrophobicContact CB-CG 3.86Å; L373-R378 HydrophobicContact CD1-CG 4.22Å; L373-R378 PolarHBondContact O-NE 3.12Å; L373-R378 VanDerWaalsContact O-NE 3.07Å; L373-R378 PolarHBondContact O-NH2 3.39Å; L373-M384 HydrophobicContact CD1-SD 3.88Å; L373-M387 HydrophobicContact CD1-CE 3.5Å; L373-M387 VanDerWaalsContact CD1-CE 3.5Å; L373-M387 HydrophobicContact CD1-SD 4.12Å; L373-M387 HydrophobicContact CD2-CE 3.8Å; L373-M387 HydrophobicContact CD2-SD 3.88Å; L373-M387 HydrophobicContact CG-CE 4.28Å
374	N	75.9	Confident	84	Confident	51 Å²	51	53.9 Å²	53.9	27%	0.273	28%	0.28	S	S	.	.			trans	-75.7	-171.1	167.7	82.7	-5.1	0	0	0	111.1	E376 M377 R378	N374-E376 PolarHBondContact ND2-OE2 3.29Å; N374-E376 PolarHBondContact OD1-N 3.46Å; N374-E376 VanDerWaalsContact OD1-N 3.07Å; N374-M377 HydrophobicContact CB-SD 4.29Å; N374-M377 PolarHBondContact N-SD 3.5Å; N374-M377 WeakPolarHBondContact OD1-CB 3.49Å; N374-M377 WeakPolarHBondContact OD1-CG 3.42Å; N374-M377 PolarHBondContact OD1-N 2.94Å; N374-R378 WeakPolarHBondContact O-CD 3.16Å; N374-R378 WeakPolarHBondContact O-CG 3.47Å; N374-R378 PolarHBondContact O-N 2.64Å; N374-R378 PolarHBondContact O-NE 3.33Å
375	A	68.1	Low	83.4	Confident	80 Å²	80	62.2 Å²	62.2	66%	0.661	31%	0.312	S	S	*	.	H	α-helix	trans	-69.8	-43.7	179.7	0	0	0	0	0	113.1	R378 S379	A375-R378 WeakPolarHBondContact O-CB 3.16Å; A375-R378 PolarHBondContact O-N 2.81Å; A375-R378 VanDerWaalsContact O-N 3.12Å; A375-S379 PolarHBondContact O-N 3.49Å; A375-S379 VanDerWaalsContact O-N 3.09Å
376	E	72.9	Confident	82.9	Confident	141 Å²	141	63.3 Å²	63.3	66%	0.659	32%	0.321	S	S	*	.	H	α-helix	trans	-65.6	-41.5	-177.9	-54.7	157.5	147.7	0	0	111.6	N374 R378 S379 N380	N374-E376 PolarHBondContact ND2-OE2 3.29Å; N374-E376 PolarHBondContact OD1-N 3.46Å; N374-E376 VanDerWaalsContact OD1-N 3.07Å; E376-R378 PolarHBondContact O-N 2.91Å; E376-S379 PolarHBondContact O-N 2.79Å; E376-S379 VanDerWaalsContact O-N 3.12Å; E376-S379 PolarHBondContact O-OG 2.99Å; E376-N380 PolarHBondContact O-N 3.16Å
377	M	79.1	Confident	82.4	Confident	28 Å²	28	63 Å²	63	14%	0.138	32%	0.32	C	S	.	.	H	α-helix	trans	-61.8	-29	174.3	-66.4	166.5	90	0	0	112.2	M231 R260 L373 N374 L383	M231-M377 HydrophobicContact CE-CE 3.33Å; M231-M377 HydrophobicContact CG-CE 4.48Å; M231-M377 HydrophobicContact SD-CE 3.41Å; M231-M377 WeakPolarHBondContact SD-CE 3.39Å; R260-M377 HydrophobicContact CG-CE 4.06Å; R260-M377 VanDerWaalsContact CZ-SD 3.51Å; L373-M377 HydrophobicContact CB-CB 4.13Å; L373-M377 HydrophobicContact CD2-CB 4.07Å; L373-M377 HydrophobicContact CD2-CE 3.72Å; L373-M377 HydrophobicContact CD2-SD 4.4Å; N374-M377 HydrophobicContact CB-SD 4.29Å; N374-M377 PolarHBondContact N-SD 3.5Å; N374-M377 WeakPolarHBondContact OD1-CB 3.49Å; N374-M377 WeakPolarHBondContact OD1-CG 3.42Å; N374-M377 PolarHBondContact OD1-N 2.94Å; M377-L383 HydrophobicContact CB-CD2 3.74Å; M377-L383 HydrophobicContact CG-CD2 4.13Å; M377-L383 WeakPolarHBondContact O-CD2 3.5Å
378	R	76.6	Confident	81.7	Confident	164 Å²	164	62.8 Å²	62.8	62%	0.619	32%	0.32	S	S	*	.	H	α-helix	trans	-82.4	-25.1	175.6	-65	168.6	-156.9	-159.5	4.5	112.8	L373 N374 A375 E376 M384	L373-R378 HydrophobicContact CB-CG 3.86Å; L373-R378 HydrophobicContact CD1-CG 4.22Å; L373-R378 PolarHBondContact O-NE 3.12Å; L373-R378 VanDerWaalsContact O-NE 3.07Å; L373-R378 PolarHBondContact O-NH2 3.39Å; N374-R378 WeakPolarHBondContact O-CD 3.16Å; N374-R378 WeakPolarHBondContact O-CG 3.47Å; N374-R378 PolarHBondContact O-N 2.64Å; N374-R378 PolarHBondContact O-NE 3.33Å; A375-R378 WeakPolarHBondContact O-CB 3.16Å; A375-R378 PolarHBondContact O-N 2.81Å; A375-R378 VanDerWaalsContact O-N 3.12Å; E376-R378 PolarHBondContact O-N 2.91Å; R378-M384 WeakPolarHBondContact O-CG 3.23Å
379	S	73	Confident	81.1	Confident	97 Å²	97	66.8 Å²	66.8	68%	0.678	35%	0.348	S	S	*	.	H	α-helix	trans	-84.3	-22.3	172.8	63.6	0	0	0	0	112.8	A375 E376 F381	A375-S379 PolarHBondContact O-N 3.49Å; A375-S379 VanDerWaalsContact O-N 3.09Å; E376-S379 PolarHBondContact O-N 2.79Å; E376-S379 VanDerWaalsContact O-N 3.12Å; E376-S379 PolarHBondContact O-OG 2.99Å; S379-F381 PolarHBondContact O-N 3.19Å
380	N	80.8	Confident	80.5	Confident	58 Å²	58	70.4 Å²	70.4	31%	0.31	36%	0.362	S	S	.	.			trans	-64.7	101.4	171.5	-175.1	-30.9	0	0	0	111.2	E376 Q382 L383 M384	E376-N380 PolarHBondContact O-N 3.16Å; N380-Q382 VanDerWaalsContact C-N 3.34Å; N380-Q382 PolarHBondContact O-N 2.99Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.36Å; N380-Q382 PolarHBondContact OD1-N 3.35Å; N380-L383 HydrophobicContact CB-CB 4.04Å; N380-L383 PolarHBondContact O-N 3.35Å; N380-L383 PolarHBondContact OD1-N 3.5Å; N380-M384 WeakPolarHBondContact O-CB 3.36Å; N380-M384 WeakPolarHBondContact O-CG 3.41Å; N380-M384 PolarHBondContact O-N 2.75Å
381	F	80.9	Confident	80.2	Confident	160 Å²	160	72.8 Å²	72.8	70%	0.702	38%	0.377	S	S	*	.	H	α-helix	trans	-64.9	-31.5	-178.6	-176	-95.6	0	0	0	113.8	S379 R385	S379-F381 PolarHBondContact O-N 3.19Å; F381-R385 WeakPolarHBondContact O-CB 3.32Å; F381-R385 PolarHBondContact O-N 3.17Å
382	Q	85.5	Confident	80.2	Confident	138 Å²	138	78.5 Å²	78.5	65%	0.645	40%	0.397	S	S	*	.	H	α-helix	trans	-68.5	-49.9	178.7	-65.8	172.5	-29	0	0	110.3	F229 N380 R385 A386	F229-Q382 HydrophobicContact CE1-CB 4.3Å; F229-Q382 HydrophobicContact CZ-CB 3.87Å; N380-Q382 VanDerWaalsContact C-N 3.34Å; N380-Q382 PolarHBondContact O-N 2.99Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.36Å; N380-Q382 PolarHBondContact OD1-N 3.35Å; Q382-R385 WeakPolarHBondContact O-CB 3.24Å; Q382-R385 PolarHBondContact O-N 2.72Å; Q382-A386 WeakPolarHBondContact O-CB 3.46Å; Q382-A386 PolarHBondContact O-N 2.87Å
383	L	85	Confident	80.4	Confident	4 Å²	4	77.4 Å²	77.4	2%	0.021	38%	0.384	C	S	.	.	H	α-helix	trans	-57.9	-49.4	173.6	167.3	55.4	0	0	0	111.6	F229 M231 M377 N380 R385 A386 M387	F229-L383 HydrophobicContact CB-CD1 3.82Å; F229-L383 HydrophobicContact CD1-CB 3.82Å; F229-L383 HydrophobicContact CD1-CD1 4.33Å; F229-L383 HydrophobicContact CD1-CG 4.48Å; F229-L383 HydrophobicContact CD2-CD1 4.18Å; F229-L383 HydrophobicContact CE1-CB 3.92Å; F229-L383 HydrophobicContact CG-CB 4.15Å; F229-L383 HydrophobicContact CG-CD1 3.85Å; F229-L383 HydrophobicContact CG-CG 4.48Å; F229-L383 HydrophobicContact CZ-CB 4.34Å; M231-L383 HydrophobicContact CE-CD1 3.45Å; M231-L383 VanDerWaalsContact CE-CD1 3.45Å; M231-L383 HydrophobicContact CE-CD2 3.69Å; M231-L383 HydrophobicContact CE-CG 4.23Å; M231-L383 HydrophobicContact SD-CD1 4.11Å; M377-L383 HydrophobicContact CB-CD2 3.74Å; M377-L383 HydrophobicContact CG-CD2 4.13Å; M377-L383 WeakPolarHBondContact O-CD2 3.5Å; N380-L383 HydrophobicContact CB-CB 4.04Å; N380-L383 PolarHBondContact O-N 3.35Å; N380-L383 PolarHBondContact OD1-N 3.5Å; L383-R385 VanDerWaalsContact C-N 3.26Å; L383-R385 PolarHBondContact O-N 2.75Å; L383-A386 PolarHBondContact O-N 2.9Å; L383-M387 HydrophobicContact CD1-CE 3.59Å; L383-M387 HydrophobicContact CD1-CG 4.03Å; L383-M387 HydrophobicContact CD1-SD 3.9Å; L383-M387 HydrophobicContact CD2-CE 4.46Å; L383-M387 HydrophobicContact CG-CE 3.65Å; L383-M387 PolarHBondContact O-N 2.99Å
384	M	85.3	Confident	80.7	Confident	70 Å²	70	79.2 Å²	79.2	35%	0.345	39%	0.394	S	S	.	.	H	α-helix	trans	-63.3	-31.9	177.9	-72.5	-58.2	-54.1	0	0	112.5	L373 R378 N380 M387 S388	L373-M384 HydrophobicContact CD1-SD 3.88Å; R378-M384 WeakPolarHBondContact O-CG 3.23Å; N380-M384 WeakPolarHBondContact O-CB 3.36Å; N380-M384 WeakPolarHBondContact O-CG 3.41Å; N380-M384 PolarHBondContact O-N 2.75Å; M384-M387 HydrophobicContact CE-CE 4.5Å; M384-M387 HydrophobicContact SD-CE 3.49Å; M384-M387 WeakPolarHBondContact SD-CE 3.49Å; M384-S388 WeakPolarHBondContact O-CB 3.44Å; M384-S388 PolarHBondContact O-N 2.73Å; M384-S388 PolarHBondContact O-OG 2.84Å
385	R	84.6	Confident	81.4	Confident	176 Å²	176	77.3 Å²	77.3	66%	0.664	38%	0.384	S	S	*	.	H	α-helix	trans	-68.4	-47.5	171.8	-177.8	-179.4	177.5	-169.3	-1.6	111.2	F381 Q382 L383 M387 S388 S389	F381-R385 WeakPolarHBondContact O-CB 3.32Å; F381-R385 PolarHBondContact O-N 3.17Å; Q382-R385 WeakPolarHBondContact O-CB 3.24Å; Q382-R385 PolarHBondContact O-N 2.72Å; L383-R385 VanDerWaalsContact C-N 3.26Å; L383-R385 PolarHBondContact O-N 2.75Å; R385-M387 PolarHBondContact O-N 2.77Å; R385-S388 WeakPolarHBondContact CA-OG 3.4Å; R385-S388 WeakPolarHBondContact O-CB 3.39Å; R385-S388 PolarHBondContact O-N 3.43Å; R385-S388 PolarHBondContact O-OG 2.92Å; R385-S389 PolarHBondContact O-N 3.42Å
386	A	84.8	Confident	82.3	Confident	23 Å²	23	80 Å²	80	19%	0.19	38%	0.381	C	S	.	.	H	α-helix	trans	-62.8	-39.3	179.2	0	0	0	0	0	112.9	F229 Q382 L383 S388 S389 Y390	F229-A386 HydrophobicContact CD2-CB 4.35Å; F229-A386 HydrophobicContact CE2-CB 3.92Å; Q382-A386 WeakPolarHBondContact O-CB 3.46Å; Q382-A386 PolarHBondContact O-N 2.87Å; L383-A386 PolarHBondContact O-N 2.9Å; A386-S388 VanDerWaalsContact C-N 3.33Å; A386-S389 PolarHBondContact O-OG 3.37Å; A386-Y390 VanDerWaalsContact O-CD2 3.24Å; A386-Y390 WeakPolarHBondContact O-CD2 3.06Å
387	M	84.3	Confident	83.1	Confident	8 Å²	8	77.7 Å²	77.7	4%	0.039	37%	0.37	C	S	.	.	H	α-helix	trans	-72.4	-26.4	170.4	-70	-177.6	-61.2	0	0	112.7	I226 M231 V258 L373 L383 M384 R385 Y390 T391	I226-M387 HydrophobicContact CD1-CG 3.89Å; M231-M387 HydrophobicContact SD-SD 4.36Å; V258-M387 HydrophobicContact CG1-SD 4.13Å; V258-M387 HydrophobicContact CG2-SD 4.07Å; L373-M387 HydrophobicContact CD1-CE 3.5Å; L373-M387 VanDerWaalsContact CD1-CE 3.5Å; L373-M387 HydrophobicContact CD1-SD 4.12Å; L373-M387 HydrophobicContact CD2-CE 3.8Å; L373-M387 HydrophobicContact CD2-SD 3.88Å; L373-M387 HydrophobicContact CG-CE 4.28Å; L383-M387 HydrophobicContact CD1-CE 3.59Å; L383-M387 HydrophobicContact CD1-CG 4.03Å; L383-M387 HydrophobicContact CD1-SD 3.9Å; L383-M387 HydrophobicContact CD2-CE 4.46Å; L383-M387 HydrophobicContact CG-CE 3.65Å; L383-M387 PolarHBondContact O-N 2.99Å; M384-M387 HydrophobicContact CE-CE 4.5Å; M384-M387 HydrophobicContact SD-CE 3.49Å; M384-M387 WeakPolarHBondContact SD-CE 3.49Å; R385-M387 PolarHBondContact O-N 2.77Å; M387-Y390 PolarHBondContact O-N 2.96Å; M387-T391 WeakPolarHBondContact O-CB 3.31Å; M387-T391 WeakPolarHBondContact O-CG2 3.37Å; M387-T391 PolarHBondContact O-N 3.28Å; M387-T391 PolarHBondContact O-OG1 2.91Å
388	S	81.6	Confident	83.6	Confident	19 Å²	19	77 Å²	77	13%	0.133	37%	0.366	C	S	.	.	H	α-helix	trans	-71.4	-28.7	-177.5	75.7	0	0	0	0	114.1	M384 R385 A386 Y390 T391 R392	M384-S388 WeakPolarHBondContact O-CB 3.44Å; M384-S388 PolarHBondContact O-N 2.73Å; M384-S388 PolarHBondContact O-OG 2.84Å; R385-S388 WeakPolarHBondContact CA-OG 3.4Å; R385-S388 WeakPolarHBondContact O-CB 3.39Å; R385-S388 PolarHBondContact O-N 3.43Å; R385-S388 PolarHBondContact O-OG 2.92Å; A386-S388 VanDerWaalsContact C-N 3.33Å; S388-Y390 VanDerWaalsContact C-N 3.34Å; S388-T391 WeakPolarHBondContact CA-OG1 3.27Å; S388-R392 WeakPolarHBondContact O-CB 3.49Å; S388-R392 WeakPolarHBondContact O-CG 3.42Å; S388-R392 PolarHBondContact O-N 3.42Å
389	S	79.3	Confident	84.1	Confident	84 Å²	84	69.4 Å²	69.4	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-63.7	-40	175.1	50.4	0	0	0	0	111.9	R385 A386	R385-S389 PolarHBondContact O-N 3.42Å; A386-S389 PolarHBondContact O-OG 3.37Å
390	Y	77.8	Confident	84.8	Confident	103 Å²	103	67.8 Å²	67.8	40%	0.404	32%	0.322	S	S	.	.	H	α-helix	trans	-78.1	-38.1	176.7	-57.5	-70.3	0	0	0	112.9	I224 I226 A386 M387 S388	I224-Y390 HydrophobicContact CD1-CD1 3.81Å; I224-Y390 HydrophobicContact CD1-CE1 4.4Å; I224-Y390 HydrophobicContact CD1-CG 4.32Å; I224-Y390 HydrophobicContact CG2-CD1 4.03Å; I224-Y390 HydrophobicContact CG2-CD2 4.44Å; I224-Y390 HydrophobicContact CG2-CE1 3.82Å; I224-Y390 HydrophobicContact CG2-CE2 4.25Å; I224-Y390 HydrophobicContact CG2-CG 4.34Å; I226-Y390 HydrophobicContact CD1-CD2 4.13Å; I226-Y390 HydrophobicContact CD1-CE2 4.25Å; I226-Y390 HydrophobicContact CG1-CE2 4.35Å; A386-Y390 VanDerWaalsContact O-CD2 3.24Å; A386-Y390 WeakPolarHBondContact O-CD2 3.06Å; M387-Y390 PolarHBondContact O-N 2.96Å; S388-Y390 VanDerWaalsContact C-N 3.34Å
391	T	82.8	Confident	85.2	Confident	50 Å²	50	70.4 Å²	70.4	31%	0.307	33%	0.327	S	S	.	.	H	α-helix	trans	-87.5	-27.6	-173.9	56.3	0	0	0	0	115	L233 H256 M387 S388 M393	L233-T391 HydrophobicContact CD1-CG2 3.86Å; H256-T391 HydrophobicContact CB-CG2 4.18Å; M387-T391 WeakPolarHBondContact O-CB 3.31Å; M387-T391 WeakPolarHBondContact O-CG2 3.37Å; M387-T391 PolarHBondContact O-N 3.28Å; M387-T391 PolarHBondContact O-OG1 2.91Å; S388-T391 WeakPolarHBondContact CA-OG1 3.27Å; T391-M393 PolarHBondContact O-N 3.26Å
392	R	84.1	Confident	85.6	Confident	137 Å²	137	62.8 Å²	62.8	52%	0.517	29%	0.294	S	S	.	.			trans	-91.7	64.2	-179.4	-60.3	-176.3	-176	166.8	7.4	112.6	S388	S388-R392 WeakPolarHBondContact O-CB 3.49Å; S388-R392 WeakPolarHBondContact O-CG 3.42Å; S388-R392 PolarHBondContact O-N 3.42Å
393	M	85.6	Confident	85.8	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.02	29%	0.285	C	S	.	.			trans	-66.1	140.5	175.4	-59.8	171.4	-62.3	0	0	111.8	I254 T391 Q397 R401 G769 T770	I254-M393 HydrophobicContact CB-CE 3.7Å; I254-M393 HydrophobicContact CG1-CE 4.29Å; I254-M393 HydrophobicContact CG2-CE 3.64Å; I254-M393 HydrophobicContact CG2-SD 4.3Å; T391-M393 PolarHBondContact O-N 3.26Å; M393-Q397 HydrophobicContact CB-CB 4.22Å; M393-R401 WeakPolarHBondContact SD-CD 3.49Å; M393-R401 PolarHBondContact SD-NE 2.83Å; M393-G769 CarbonylContact O-C 3.48Å; M393-G769 VanDerWaalsContact O-CA 3.28Å; M393-G769 WeakPolarHBondContact O-CA 3.41Å; M393-T770 PolarHBondContact O-N 3.17Å; M393-T770 PolarHBondContact O-OG1 3.05Å
394	N	87.2	Confident	86	Confident	69 Å²	69	64.5 Å²	64.5	37%	0.369	31%	0.307	S	S	.	.			trans	-71.8	166.6	169.5	89.5	2.8	0	0	0	111.1	K396 Q397 R398	N394-K396 PolarHBondContact O-N 3.39Å; N394-K396 PolarHBondContact OD1-N 2.86Å; N394-Q397 PolarHBondContact O-N 3.08Å; N394-Q397 WeakPolarHBondContact OD1-CB 3.3Å; N394-Q397 VanDerWaalsContact OD1-CG 3.28Å; N394-Q397 WeakPolarHBondContact OD1-CG 3.5Å; N394-Q397 PolarHBondContact OD1-N 3.26Å; N394-R398 PolarHBondContact O-N 2.75Å
395	P	89.8	Confident	86.2	Confident	10 Å²	10	61.3 Å²	61.3	7%	0.065	29%	0.291	C	S	.	.	H	α-helix	trans	-53.9	-49.9	-179.3	-33.5	41.4	0	0	0	114.9	R398 T399 F735 G738 N740	P395-R398 PolarHBondContact O-N 2.66Å; P395-T399 PolarHBondContact O-N 2.89Å; P395-T399 PolarHBondContact O-OG1 2.8Å; P395-F735 HydrophobicContact CB-CD1 3.76Å; P395-F735 HydrophobicContact CB-CE1 4.12Å; P395-F735 HydrophobicContact CG-CD1 4.5Å; P395-G738 WeakPolarHBondContact CB-O 3.34Å; P395-N740 HydrophobicContact CG-CB 4.29Å; P395-N740 VanDerWaalsContact CG-CG 3.48Å; P395-N740 VanDerWaalsContact CG-OD1 3.25Å; P395-N740 WeakPolarHBondContact CG-OD1 3.33Å
396	K	87.9	Confident	86.6	Confident	137 Å²	137	53 Å²	53	60%	0.596	26%	0.26	S	S	*	.	H	α-helix	trans	-57.4	-52	176.9	-177.9	172	-178.6	179.4	0	111.6	N394 R398 T399 D400 G738	N394-K396 PolarHBondContact O-N 3.39Å; N394-K396 PolarHBondContact OD1-N 2.86Å; K396-R398 PolarHBondContact O-N 2.77Å; K396-R398 VanDerWaalsContact O-N 3.16Å; K396-T399 PolarHBondContact O-N 3.29Å; K396-D400 VanDerWaalsContact CG-OD2 3.3Å; K396-D400 WeakPolarHBondContact CG-OD2 3.42Å; K396-D400 VanDerWaalsContact O-CG 3.25Å; K396-D400 PolarHBondContact O-N 2.87Å; K396-G738 PolarHBondContact N-O 2.92Å
397	Q	88.4	Confident	87	Confident	92 Å²	92	57.6 Å²	57.6	43%	0.43	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-27.6	176.7	-73.6	173.9	-22.6	0	0	114.5	M393 N394 R401	M393-Q397 HydrophobicContact CB-CB 4.22Å; N394-Q397 PolarHBondContact O-N 3.08Å; N394-Q397 WeakPolarHBondContact OD1-CB 3.3Å; N394-Q397 VanDerWaalsContact OD1-CG 3.28Å; N394-Q397 WeakPolarHBondContact OD1-CG 3.5Å; N394-Q397 PolarHBondContact OD1-N 3.26Å; Q397-R401 WeakPolarHBondContact O-CG 3.41Å; Q397-R401 PolarHBondContact O-NH1 3.07Å
398	R	89.6	Confident	87.3	Confident	14 Å²	14	61.3 Å²	61.3	5%	0.053	29%	0.291	C	S	.	.	H	α-helix	trans	-78.9	-46.7	173	-173.4	178.5	-62.3	-82.4	-7.9	110.8	E253 I254 N394 P395 K396 D400 R401 L402 F735 T770	E253-R398 IonicContact OE1-CZ 2.66Å; E253-R398 IonicContact OE1-NH1 2.63Å; E253-R398 PolarHBondContact OE1-NH1 3Å; E253-R398 IonicContact OE2-CZ 2.68Å; E253-R398 IonicContact OE2-NE 2.75Å; E253-R398 IonicContact OE2-NH1 2.78Å; E253-R398 PolarHBondContact OE2-NH1 3.23Å; I254-R398 HydrophobicContact CG1-CG 4.09Å; I254-R398 PolarHBondContact O-NH1 3.41Å; N394-R398 PolarHBondContact O-N 2.75Å; P395-R398 PolarHBondContact O-N 2.66Å; K396-R398 PolarHBondContact O-N 2.77Å; K396-R398 VanDerWaalsContact O-N 3.16Å; R398-D400 VanDerWaalsContact C-N 3.31Å; R398-D400 PolarHBondContact O-N 2.74Å; R398-R401 PolarHBondContact O-N 2.92Å; R398-L402 HydrophobicContact CG-CD1 4.12Å; R398-L402 VanDerWaalsContact O-CG 3.31Å; R398-L402 WeakPolarHBondContact O-CG 3.42Å; R398-L402 PolarHBondContact O-N 3.02Å; R398-F735 HydrophobicContact CG-CZ 4.38Å; R398-T770 PolarHBondContact NE-OG1 2.85Å; R398-T770 PolarHBondContact NH2-OG1 2.92Å
399	T	88.1	Confident	87.8	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-42.6	177.4	-51.4	0	0	0	0	111.5	P395 K396 R401 L402 R403	P395-T399 PolarHBondContact O-N 2.89Å; P395-T399 PolarHBondContact O-OG1 2.8Å; K396-T399 PolarHBondContact O-N 3.29Å; T399-R401 PolarHBondContact O-N 2.81Å; T399-L402 WeakPolarHBondContact O-CB 3.38Å; T399-L402 PolarHBondContact O-N 2.8Å; T399-R403 WeakPolarHBondContact O-CG 3.3Å; T399-R403 PolarHBondContact O-N 2.9Å
400	D	88.3	Confident	88.4	Confident	64 Å²	64	58.7 Å²	58.7	34%	0.342	27%	0.267	S	S	.	.	H	α-helix	trans	-69.1	-33.8	179.5	-62	-27.9	0	0	0	112.1	K396 R398 R403 A404	K396-D400 VanDerWaalsContact CG-OD2 3.3Å; K396-D400 WeakPolarHBondContact CG-OD2 3.42Å; K396-D400 VanDerWaalsContact O-CG 3.25Å; K396-D400 PolarHBondContact O-N 2.87Å; R398-D400 VanDerWaalsContact C-N 3.31Å; R398-D400 PolarHBondContact O-N 2.74Å; D400-R403 PolarHBondContact O-N 3Å; D400-R403 IonicContact OD1-CZ 3.75Å; D400-R403 IonicContact OD1-NH1 3.78Å; D400-R403 PolarHBondContact OD1-NH1 3.35Å; D400-A404 WeakPolarHBondContact O-CB 3.37Å; D400-A404 PolarHBondContact O-N 2.91Å
401	R	88.3	Confident	89.2	Confident	112 Å²	112	58.4 Å²	58.4	42%	0.423	27%	0.273	S	S	.	.	H	α-helix	trans	-69.2	-35.8	170.1	-78.1	174.1	177.4	76	-3	113	I254 M393 Q397 R398 T399 A404 F405	I254-R401 HydrophobicContact CD1-CB 3.94Å; I254-R401 HydrophobicContact CG1-CB 4.18Å; M393-R401 WeakPolarHBondContact SD-CD 3.49Å; M393-R401 PolarHBondContact SD-NE 2.83Å; Q397-R401 WeakPolarHBondContact O-CG 3.41Å; Q397-R401 PolarHBondContact O-NH1 3.07Å; R398-R401 PolarHBondContact O-N 2.92Å; T399-R401 PolarHBondContact O-N 2.81Å; R401-A404 PolarHBondContact O-N 3.29Å; R401-F405 WeakPolarHBondContact O-CB 3.42Å; R401-F405 PolarHBondContact O-N 3.38Å
402	L	89.8	Confident	89.8	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-40.3	174.7	-69.8	166	0	0	0	111.3	N102 F104 T252 I254 R398 T399 F405 N406	N102-L402 HydrophobicContact CB-CD1 3.59Å; F104-L402 HydrophobicContact CZ-CB 4.24Å; T252-L402 HydrophobicContact CG2-CD2 4.03Å; T252-L402 WeakPolarHBondContact O-CD2 3.4Å; I254-L402 HydrophobicContact CD1-CD2 3.75Å; I254-L402 HydrophobicContact CD1-CG 4.09Å; I254-L402 HydrophobicContact CG1-CD2 4.19Å; I254-L402 HydrophobicContact CG1-CG 4.28Å; R398-L402 HydrophobicContact CG-CD1 4.12Å; R398-L402 VanDerWaalsContact O-CG 3.31Å; R398-L402 WeakPolarHBondContact O-CG 3.42Å; R398-L402 PolarHBondContact O-N 3.02Å; T399-L402 WeakPolarHBondContact O-CB 3.38Å; T399-L402 PolarHBondContact O-N 2.8Å; L402-F405 PolarHBondContact O-N 3.3Å; L402-N406 PolarHBondContact O-N 3.3Å
403	R	89.7	Confident	90.3	Very high	119 Å²	119	54.9 Å²	54.9	45%	0.449	27%	0.268	S	S	.	.	H	α-helix	trans	-61.3	-47.2	170.5	-70.9	169.4	176.6	147.1	-3.7	111.7	T399 D400 F405 N406 H407	T399-R403 WeakPolarHBondContact O-CG 3.3Å; T399-R403 PolarHBondContact O-N 2.9Å; D400-R403 PolarHBondContact O-N 3Å; D400-R403 IonicContact OD1-CZ 3.75Å; D400-R403 IonicContact OD1-NH1 3.78Å; D400-R403 PolarHBondContact OD1-NH1 3.35Å; R403-F405 VanDerWaalsContact C-N 3.32Å; R403-F405 PolarHBondContact O-N 2.89Å; R403-N406 PolarHBondContact O-N 3.46Å; R403-H407 WeakPolarHBondContact O-CB 3.31Å; R403-H407 PolarHBondContact O-N 2.87Å
404	A	89.6	Confident	90.6	Very high	60 Å²	60	60.2 Å²	60.2	50%	0.496	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-38	177.7	0	0	0	0	0	112.7	D400 R401 R408	D400-A404 WeakPolarHBondContact O-CB 3.37Å; D400-A404 PolarHBondContact O-N 2.91Å; R401-A404 PolarHBondContact O-N 3.29Å; A404-R408 WeakPolarHBondContact O-CB 3.44Å; A404-R408 PolarHBondContact O-N 2.89Å
405	F	88.9	Confident	90.9	Very high	2 Å²	2	57 Å²	57	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-63.3	-49.6	172.3	171.2	-100.8	0	0	0	112.3	M205 L208 Y237 T239 T252 R401 L402 R403 H407 R408 L409	M205-F405 HydrophobicContact CE-CE1 4.37Å; M205-F405 HydrophobicContact CE-CZ 3.77Å; M205-F405 HydrophobicContact SD-CE2 4.4Å; M205-F405 HydrophobicContact SD-CZ 3.87Å; L208-F405 HydrophobicContact CD1-CD2 4.45Å; L208-F405 HydrophobicContact CD1-CE2 3.72Å; L208-F405 HydrophobicContact CD1-CZ 4.35Å; Y237-F405 HydrophobicContact CD1-CB 4.17Å; Y237-F405 HydrophobicContact CD1-CD1 4.47Å; Y237-F405 AromaticContact CD1-CD2 3.51Å; Y237-F405 HydrophobicContact CD1-CD2 3.51Å; Y237-F405 AromaticContact CD1-CE2 3.94Å; Y237-F405 HydrophobicContact CD1-CE2 3.94Å; Y237-F405 AromaticContact CD1-CG 3.79Å; Y237-F405 HydrophobicContact CD1-CG 3.79Å; Y237-F405 AromaticContact CD2-CD2 3.67Å; Y237-F405 HydrophobicContact CD2-CD2 3.67Å; Y237-F405 AromaticContact CD2-CE2 3.68Å; Y237-F405 HydrophobicContact CD2-CE2 3.68Å; Y237-F405 HydrophobicContact CE1-CB 3.57Å; Y237-F405 AromaticContact CE1-CD2 3.45Å; Y237-F405 HydrophobicContact CE1-CD2 3.45Å; Y237-F405 VanDerWaalsContact CE1-CD2 3.45Å; Y237-F405 HydrophobicContact CE1-CE2 4.3Å; Y237-F405 AromaticContact CE1-CG 3.66Å; Y237-F405 HydrophobicContact CE1-CG 3.66Å; Y237-F405 AromaticContact CE2-CD2 3.62Å; Y237-F405 HydrophobicContact CE2-CD2 3.62Å; Y237-F405 HydrophobicContact CE2-CE2 4.07Å; Y237-F405 AromaticContact CG-CD2 3.63Å; Y237-F405 HydrophobicContact CG-CD2 3.63Å; Y237-F405 AromaticContact CG-CE2 3.62Å; Y237-F405 HydrophobicContact CG-CE2 3.62Å; Y237-F405 HydrophobicContact CG-CG 4.33Å; Y237-F405 HydrophobicContact CG-CZ 4.33Å; Y237-F405 AromaticContact CZ-CD2 3.51Å; T239-F405 HydrophobicContact CG2-CZ 4.29Å; T252-F405 HydrophobicContact CG2-CD1 3.86Å; T252-F405 HydrophobicContact CG2-CE1 3.71Å; T252-F405 HydrophobicContact CG2-CG 4.49Å; T252-F405 HydrophobicContact CG2-CZ 4.22Å; R401-F405 WeakPolarHBondContact O-CB 3.42Å; R401-F405 PolarHBondContact O-N 3.38Å; L402-F405 PolarHBondContact O-N 3.3Å; R403-F405 VanDerWaalsContact C-N 3.32Å; R403-F405 PolarHBondContact O-N 2.89Å; F405-H407 VanDerWaalsContact C-N 3.31Å; F405-H407 PolarHBondContact O-N 2.6Å; F405-R408 PolarHBondContact O-N 3.36Å; F405-L409 HydrophobicContact CE1-CD2 4.28Å; F405-L409 HydrophobicContact CZ-CD2 4.35Å; F405-L409 WeakPolarHBondContact O-CB 3.36Å; F405-L409 PolarHBondContact O-N 3.11Å
406	N	92.1	Very high	91.1	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.016	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-44.6	177.4	-169.1	15.4	0	0	0	110.8	F104 L402 R403 L409 Q410 L426 D427 K428	F104-N406 HydrophobicContact CD1-CB 4.37Å; F104-N406 VanDerWaalsContact CD1-ND2 3.26Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.38Å; F104-N406 HydrophobicContact CE1-CB 3.82Å; F104-N406 VanDerWaalsContact CE1-ND2 3.28Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.49Å; F104-N406 HydrophobicContact CE2-CB 4.31Å; F104-N406 HydrophobicContact CZ-CB 3.78Å; L402-N406 PolarHBondContact O-N 3.3Å; R403-N406 PolarHBondContact O-N 3.46Å; N406-L409 PolarHBondContact O-N 2.68Å; N406-L409 VanDerWaalsContact O-N 3.16Å; N406-Q410 PolarHBondContact ND2-NE2 2.81Å; N406-Q410 WeakPolarHBondContact O-CG 3.32Å; N406-Q410 PolarHBondContact O-N 2.7Å; N406-Q410 PolarHBondContact OD1-NE2 3Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.2Å; N406-L426 WeakPolarHBondContact OD1-CG 3.3Å; N406-D427 PolarHBondContact ND2-O 2.87Å; N406-K428 WeakPolarHBondContact ND2-CA 3.43Å; N406-K428 PolarHBondContact ND2-O 2.94Å
407	H	93.1	Very high	91.2	Very high	118 Å²	118	58 Å²	58	55%	0.546	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-44	176.9	-167.7	55	0	0	0	112.4	R403 F405 L409 Q410 N411	R403-H407 WeakPolarHBondContact O-CB 3.31Å; R403-H407 PolarHBondContact O-N 2.87Å; F405-H407 VanDerWaalsContact C-N 3.31Å; F405-H407 PolarHBondContact O-N 2.6Å; H407-L409 VanDerWaalsContact C-N 3.31Å; H407-L409 PolarHBondContact O-N 2.66Å; H407-Q410 PolarHBondContact O-N 2.74Å; H407-N411 PolarHBondContact CD2-ND2 2.97Å; H407-N411 PolarHBondContact CE1-ND2 2.68Å; H407-N411 PolarHBondContact CE1-OD1 3.15Å; H407-N411 PolarHBondContact ND1-OD1 3.14Å; H407-N411 PolarHBondContact NE2-ND2 3.05Å; H407-N411 VanDerWaalsContact O-CB 3.32Å; H407-N411 WeakPolarHBondContact O-CB 3.44Å; H407-N411 PolarHBondContact O-N 2.8Å; H407-N411 PolarHBondContact O-OD1 3.21Å
408	R	91.7	Very high	91.4	Very high	87 Å²	87	54.2 Å²	54.2	33%	0.328	27%	0.266	S	S	.	.	H	α-helix	trans	-58.1	-43.4	172.2	-175	-174	167.7	165.4	-10.1	111.3	L208 D219 A404 F405 N411 T412	L208-R408 HydrophobicContact CD2-CG 3.8Å; L208-R408 PolarHBondContact O-NH2 3.44Å; D219-R408 IonicContact OD2-CZ 2.7Å; D219-R408 VanDerWaalsContact OD2-CZ 3.31Å; D219-R408 IonicContact OD2-NH1 2.76Å; D219-R408 PolarHBondContact OD2-NH1 3.12Å; D219-R408 IonicContact OD2-NH2 2.73Å; D219-R408 PolarHBondContact OD2-NH2 3Å; A404-R408 WeakPolarHBondContact O-CB 3.44Å; A404-R408 PolarHBondContact O-N 2.89Å; F405-R408 PolarHBondContact O-N 3.36Å; R408-N411 PolarHBondContact O-N 3.16Å; R408-T412 WeakPolarHBondContact O-CB 3.41Å; R408-T412 PolarHBondContact O-N 3.06Å; R408-T412 VanDerWaalsContact O-N 3.17Å; R408-T412 PolarHBondContact O-OG1 2.9Å
409	L	90.8	Very high	91.4	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	27%	0.266	C	S	.	.	H	α-helix	trans	-68.1	-34.6	-179.8	-174.4	63.8	0	0	0	112.9	M205 L208 L250 F405 N406 H407 L426	M205-L409 HydrophobicContact CE-CD1 4.37Å; M205-L409 HydrophobicContact CE-CD2 3.64Å; M205-L409 HydrophobicContact SD-CD1 4.14Å; M205-L409 HydrophobicContact SD-CD2 4.36Å; L208-L409 HydrophobicContact CD1-CD1 3.9Å; L208-L409 HydrophobicContact CD2-CB 4.32Å; L208-L409 HydrophobicContact CD2-CD1 4.08Å; L208-L409 HydrophobicContact CG-CD1 3.87Å; L250-L409 HydrophobicContact CD2-CD2 4.44Å; F405-L409 HydrophobicContact CE1-CD2 4.28Å; F405-L409 HydrophobicContact CZ-CD2 4.35Å; F405-L409 WeakPolarHBondContact O-CB 3.36Å; F405-L409 PolarHBondContact O-N 3.11Å; N406-L409 PolarHBondContact O-N 2.68Å; N406-L409 VanDerWaalsContact O-N 3.16Å; H407-L409 VanDerWaalsContact C-N 3.31Å; H407-L409 PolarHBondContact O-N 2.66Å; L409-L426 HydrophobicContact CD2-CD2 3.56Å; L409-L426 HydrophobicContact CG-CD2 4.15Å
410	Q	92.1	Very high	91.6	Very high	44 Å²	44	62.5 Å²	62.5	21%	0.206	30%	0.297	C	S	.	.	H	α-helix	trans	-81.5	-21.6	175.5	-67	-167.7	30.7	0	0	114.4	N406 H407 V416 L426	N406-Q410 PolarHBondContact ND2-NE2 2.81Å; N406-Q410 WeakPolarHBondContact O-CG 3.32Å; N406-Q410 PolarHBondContact O-N 2.7Å; N406-Q410 PolarHBondContact OD1-NE2 3Å; H407-Q410 PolarHBondContact O-N 2.74Å; Q410-V416 WeakPolarHBondContact O-CG2 3.49Å; Q410-L426 HydrophobicContact CG-CD2 4.36Å; Q410-L426 PolarHBondContact NE2-O 3.01Å
411	N	94.4	Very high	91.7	Very high	98 Å²	98	60.7 Å²	60.7	52%	0.524	29%	0.287	S	S	.	.	H	α-helix	trans	-89.4	-8.7	174.9	-64.3	-0.9	0	0	0	112.9	H407 R408 P413	H407-N411 PolarHBondContact CD2-ND2 2.97Å; H407-N411 PolarHBondContact CE1-ND2 2.68Å; H407-N411 PolarHBondContact CE1-OD1 3.15Å; H407-N411 PolarHBondContact ND1-OD1 3.14Å; H407-N411 PolarHBondContact NE2-ND2 3.05Å; H407-N411 VanDerWaalsContact O-CB 3.32Å; H407-N411 WeakPolarHBondContact O-CB 3.44Å; H407-N411 PolarHBondContact O-N 2.8Å; H407-N411 PolarHBondContact O-OD1 3.21Å; R408-N411 PolarHBondContact O-N 3.16Å; N411-P413 WeakPolarHBondContact O-CD 3.4Å
412	T	95.4	Very high	91.8	Very high	23 Å²	23	55.4 Å²	55.4	14%	0.141	27%	0.268	C	S	.	.			trans	-90.4	107.9	-179.2	-59.1	0	0	0	0	110.2	G207 R408 E414 S415 V416	G207-T412 WeakPolarHBondContact O-CG2 3.26Å; R408-T412 WeakPolarHBondContact O-CB 3.41Å; R408-T412 PolarHBondContact O-N 3.06Å; R408-T412 VanDerWaalsContact O-N 3.17Å; R408-T412 PolarHBondContact O-OG1 2.9Å; T412-E414 VanDerWaalsContact C-N 3.3Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.22Å; T412-E414 PolarHBondContact O-N 3.12Å; T412-S415 PolarHBondContact O-N 3.14Å; T412-S415 VanDerWaalsContact O-N 3.1Å; T412-V416 PolarHBondContact O-N 3.38Å
413	P	94.7	Very high	91.9	Very high	90 Å²	90	58 Å²	58	58%	0.584	28%	0.281	S	S	*	.	H	α-helix	trans	-60.7	-36.2	-169.8	-25.3	36	0	0	0	113.8	N411 S415 K417	N411-P413 WeakPolarHBondContact O-CD 3.4Å; P413-S415 VanDerWaalsContact C-N 3.35Å; P413-K417 WeakPolarHBondContact O-CB 3.08Å; P413-K417 PolarHBondContact O-N 2.78Å
414	E	93.3	Very high	91.9	Very high	116 Å²	116	52.6 Å²	52.6	54%	0.542	26%	0.261	S	S	.	.	H	α-helix	trans	-66.3	-38.9	179.3	-57.4	69.6	-152	0	0	111.1	T412 V418	T412-E414 VanDerWaalsContact C-N 3.3Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.22Å; T412-E414 PolarHBondContact O-N 3.12Å; E414-V418 WeakPolarHBondContact O-CG2 3.41Å; E414-V418 PolarHBondContact O-N 2.97Å
415	S	92.6	Very high	92.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-71.3	-44.6	177.9	-67.3	0	0	0	0	112	S204 G207 L208 T412 P413 V418	S204-S415 WeakPolarHBondContact O-CA 3.4Å; S204-S415 WeakPolarHBondContact O-CB 3.38Å; S204-S415 PolarHBondContact O-OG 3.3Å; S204-S415 PolarHBondContact OG-O 2.68Å; G207-S415 WeakPolarHBondContact CA-OG 3.18Å; L208-S415 PolarHBondContact N-OG 3.39Å; T412-S415 PolarHBondContact O-N 3.14Å; T412-S415 VanDerWaalsContact O-N 3.1Å; P413-S415 VanDerWaalsContact C-N 3.35Å; S415-V418 PolarHBondContact O-N 3.23Å
416	V	93.5	Very high	92.3	Very high	38 Å²	38	55.5 Å²	55.5	23%	0.23	27%	0.265	C	S	.	.	H	α-helix	trans	-66.2	-42.1	177.1	173.8	0	0	0	0	111.2	Q410 T412 V418 L419 R420	Q410-V416 WeakPolarHBondContact O-CG2 3.49Å; T412-V416 PolarHBondContact O-N 3.38Å; V416-V418 VanDerWaalsContact C-N 3.3Å; V416-V418 PolarHBondContact O-N 2.73Å; V416-L419 PolarHBondContact O-N 2.95Å; V416-L419 VanDerWaalsContact O-N 3.09Å; V416-R420 WeakPolarHBondContact O-CB 3.42Å; V416-R420 PolarHBondContact O-N 3.22Å
417	K	91.8	Very high	92.3	Very high	130 Å²	130	56.9 Å²	56.9	57%	0.565	27%	0.272	S	S	*	.	H	α-helix	trans	-53.8	-48.8	177.4	179.5	171.5	179.4	174.8	0	110.6	P413 L419 R420 D421	P413-K417 WeakPolarHBondContact O-CB 3.08Å; P413-K417 PolarHBondContact O-N 2.78Å; K417-L419 VanDerWaalsContact C-N 3.28Å; K417-L419 PolarHBondContact O-N 3.25Å; K417-R420 PolarHBondContact O-N 3.42Å; K417-D421 WeakPolarHBondContact CG-OD2 3.46Å; K417-D421 VanDerWaalsContact O-CB 3.22Å; K417-D421 WeakPolarHBondContact O-CB 3.49Å; K417-D421 PolarHBondContact O-N 2.94Å
418	V	91.3	Very high	92.1	Very high	14 Å²	14	58.1 Å²	58.1	9%	0.085	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-32	179.8	174.1	0	0	0	0	113.5	I200 R203 E414 S415 V416	I200-V418 HydrophobicContact CG2-CG1 4.43Å; R203-V418 HydrophobicContact CB-CG1 3.88Å; R203-V418 HydrophobicContact CG-CG1 3.82Å; R203-V418 HydrophobicContact CG-CG2 3.9Å; E414-V418 WeakPolarHBondContact O-CG2 3.41Å; E414-V418 PolarHBondContact O-N 2.97Å; S415-V418 PolarHBondContact O-N 3.23Å; V416-V418 VanDerWaalsContact C-N 3.3Å; V416-V418 PolarHBondContact O-N 2.73Å
419	L	91.1	Very high	91.9	Very high	11 Å²	11	60.1 Å²	60.1	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-76.3	-46.2	175.8	-63.1	176.1	0	0	0	111.2	I200 V416 K417 D421 W422 N423 M424 L426	I200-L419 HydrophobicContact CG2-CD2 4.31Å; V416-L419 PolarHBondContact O-N 2.95Å; V416-L419 VanDerWaalsContact O-N 3.09Å; K417-L419 VanDerWaalsContact C-N 3.28Å; K417-L419 PolarHBondContact O-N 3.25Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 3.25Å; L419-W422 CarbonylContact O-C 3.41Å; L419-W422 PolarHBondContact O-N 3.02Å; L419-N423 PolarHBondContact O-N 3.37Å; L419-M424 CarbonylContact C-O 3.47Å; L419-M424 VanDerWaalsContact C-O 3.22Å; L419-M424 PolarHBondContact O-N 2.86Å; L419-L426 HydrophobicContact CD1-CB 4.17Å
420	R	91.4	Very high	91.9	Very high	181 Å²	181	60.9 Å²	60.9	68%	0.683	30%	0.298	S	S	*	.	H	α-helix	trans	-60.4	-40.9	176.6	-172.8	-175.7	-63.9	174.3	0.5	112	V416 K417 W422 N423	V416-R420 WeakPolarHBondContact O-CB 3.42Å; V416-R420 PolarHBondContact O-N 3.22Å; K417-R420 PolarHBondContact O-N 3.42Å; R420-W422 PolarHBondContact O-N 2.84Å; R420-W422 VanDerWaalsContact O-N 3.16Å; R420-N423 PolarHBondContact O-N 3.2Å
421	D	90.4	Very high	91.9	Very high	25 Å²	25	59.8 Å²	59.8	13%	0.134	29%	0.294	C	S	.	.	H	α-helix	trans	-54.4	-32.7	175.6	-75.7	-14.9	0	0	0	111.2	S144 G145 K417 L419	S144-D421 PolarHBondContact OG-O 2.78Å; G145-D421 VanDerWaalsContact CA-O 3.25Å; G145-D421 WeakPolarHBondContact CA-O 3.22Å; G145-D421 PolarHBondContact N-O 3.01Å; K417-D421 WeakPolarHBondContact CG-OD2 3.46Å; K417-D421 VanDerWaalsContact O-CB 3.22Å; K417-D421 WeakPolarHBondContact O-CB 3.49Å; K417-D421 PolarHBondContact O-N 2.94Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 3.25Å
422	W	91.3	Very high	91.8	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.008	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	10.7	178.1	-81.4	81	0	0	0	114.3	W112 I114 L147 F154 T156 V196 I200 L419 R420 M424	W112-W422 HydrophobicContact CZ2-CE3 4.42Å; W112-W422 PolarHBondContact NE1-O 3.41Å; I114-W422 HydrophobicContact CG1-CZ3 4.33Å; L147-W422 HydrophobicContact CB-CZ2 4.28Å; L147-W422 HydrophobicContact CD1-CH2 4.48Å; L147-W422 HydrophobicContact CD1-CZ2 4.21Å; L147-W422 HydrophobicContact CG-CH2 4.4Å; L147-W422 HydrophobicContact CG-CZ2 3.79Å; F154-W422 HydrophobicContact CB-CH2 4.25Å; F154-W422 WeakPolarHBondContact O-CH2 3.33Å; T156-W422 HydrophobicContact CG2-CE3 3.74Å; T156-W422 HydrophobicContact CG2-CZ3 4.15Å; V196-W422 HydrophobicContact CG1-CH2 4.07Å; V196-W422 HydrophobicContact CG1-CZ3 4.05Å; I200-W422 HydrophobicContact CD1-CD2 3.44Å; I200-W422 VanDerWaalsContact CD1-CD2 3.44Å; I200-W422 HydrophobicContact CD1-CE3 3.4Å; I200-W422 VanDerWaalsContact CD1-CE3 3.4Å; I200-W422 HydrophobicContact CD1-CG 3.94Å; I200-W422 HydrophobicContact CD1-CH2 4.26Å; I200-W422 HydrophobicContact CD1-CZ2 4.29Å; I200-W422 HydrophobicContact CD1-CZ3 3.84Å; I200-W422 HydrophobicContact CG1-CD2 3.75Å; I200-W422 HydrophobicContact CG1-CE3 4.18Å; I200-W422 HydrophobicContact CG1-CG 4.07Å; I200-W422 HydrophobicContact CG1-CZ2 4.15Å; I200-W422 HydrophobicContact CG2-CB 4.48Å; I200-W422 HydrophobicContact CG2-CG 4.19Å; L419-W422 CarbonylContact O-C 3.41Å; L419-W422 PolarHBondContact O-N 3.02Å; R420-W422 PolarHBondContact O-N 2.84Å; R420-W422 VanDerWaalsContact O-N 3.16Å; W422-M424 VanDerWaalsContact C-N 3.27Å; W422-M424 HydrophobicContact CB-CG 3.89Å; W422-M424 HydrophobicContact CB-SD 4.25Å; W422-M424 WeakPolarHBondContact O-CG 3.39Å; W422-M424 PolarHBondContact O-N 2.85Å
423	N	90.3	Very high	91.8	Very high	53 Å²	53	58.8 Å²	58.8	28%	0.283	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	36.9	-173.9	-59.7	-95.9	0	0	0	113.2	K109 T156 L419 R420	K109-N423 HydrophobicContact CD-CB 4.17Å; K109-N423 VanDerWaalsContact CE-OD1 3.24Å; K109-N423 WeakPolarHBondContact CE-OD1 3.49Å; K109-N423 HydrophobicContact CG-CB 4.46Å; K109-N423 PolarHBondContact NZ-OD1 2.91Å; T156-N423 PolarHBondContact OG1-ND2 3.46Å; L419-N423 PolarHBondContact O-N 3.37Å; R420-N423 PolarHBondContact O-N 3.2Å
424	M	91.3	Very high	91.9	Very high	7 Å²	7	60.5 Å²	60.5	3%	0.034	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.8	178.3	-43.5	-169.8	88.9	0	0	111.1	L106 K107 T108 W112 L197 I200 I248 L419 W422	L106-M424 HydrophobicContact CD2-CE 3.78Å; L106-M424 HydrophobicContact CD2-SD 4.16Å; L106-M424 HydrophobicContact CG-CE 4.4Å; K107-M424 CarbonylContact O-C 3.59Å; K107-M424 WeakPolarHBondContact O-CA 3.47Å; T108-M424 HydrophobicContact CG2-CE 3.62Å; T108-M424 HydrophobicContact CG2-CG 4.33Å; W112-M424 HydrophobicContact CH2-CE 3.74Å; W112-M424 HydrophobicContact CH2-SD 4.34Å; W112-M424 HydrophobicContact CZ2-CE 3.66Å; W112-M424 HydrophobicContact CZ2-CG 4.16Å; W112-M424 HydrophobicContact CZ2-SD 3.84Å; W112-M424 HydrophobicContact CZ3-CE 4.4Å; L197-M424 HydrophobicContact CD2-CE 3.86Å; L197-M424 HydrophobicContact CD2-SD 4.43Å; I200-M424 HydrophobicContact CD1-SD 4.43Å; I200-M424 HydrophobicContact CG2-SD 4.41Å; I248-M424 HydrophobicContact CD1-CE 3.85Å; L419-M424 CarbonylContact C-O 3.47Å; L419-M424 VanDerWaalsContact C-O 3.22Å; L419-M424 PolarHBondContact O-N 2.86Å; W422-M424 VanDerWaalsContact C-N 3.27Å; W422-M424 HydrophobicContact CB-CG 3.89Å; W422-M424 HydrophobicContact CB-SD 4.25Å; W422-M424 WeakPolarHBondContact O-CG 3.39Å; W422-M424 PolarHBondContact O-N 2.85Å
425	E	92.8	Very high	92	Very high	115 Å²	115	55 Å²	55	54%	0.537	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.3	171.8	-171.9	179.8	-179.5	0	0	110.2	L106 K107	L106-E425 CarbonylContact C-O 3.58Å; L106-E425 WeakPolarHBondContact CA-O 3.23Å; K107-E425 HydrophobicContact CB-CB 4.33Å; K107-E425 PolarHBondContact N-O 2.86Å; K107-E425 PolarHBondContact O-N 2.87Å
426	L	93.1	Very high	92.3	Very high	8 Å²	8	56 Å²	56	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.7	179.2	175.4	63.6	0	0	0	109.9	F104 L106 L250 N406 L409 Q410 L419 K428	F104-L426 HydrophobicContact CB-CD1 3.51Å; F104-L426 HydrophobicContact CG-CD1 4.34Å; L106-L426 HydrophobicContact CD1-CB 4.12Å; L106-L426 HydrophobicContact CD1-CD1 3.49Å; L106-L426 VanDerWaalsContact CD1-CD1 3.49Å; L106-L426 HydrophobicContact CD1-CG 4.39Å; L250-L426 HydrophobicContact CB-CD1 4.5Å; L250-L426 HydrophobicContact CD2-CD1 4.04Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.2Å; N406-L426 WeakPolarHBondContact OD1-CG 3.3Å; L409-L426 HydrophobicContact CD2-CD2 3.56Å; L409-L426 HydrophobicContact CG-CD2 4.15Å; Q410-L426 HydrophobicContact CG-CD2 4.36Å; Q410-L426 PolarHBondContact NE2-O 3.01Å; L419-L426 HydrophobicContact CD1-CB 4.17Å; L426-K428 PolarHBondContact O-N 2.84Å
427	D	93.1	Very high	92.5	Very high	32 Å²	32	55.8 Å²	55.8	17%	0.171	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	134.3	179.9	-98.5	-34.9	0	0	0	112	R105 K107 N406 N429	R105-D427 HydrophobicContact CB-CB 4.16Å; R105-D427 WeakPolarHBondContact CB-OD2 3.35Å; R105-D427 PolarHBondContact O-N 3.27Å; K107-D427 WeakPolarHBondContact CE-OD1 3.3Å; K107-D427 WeakPolarHBondContact CE-OD2 3.27Å; K107-D427 IonicContact NZ-OD1 3.58Å; K107-D427 PolarHBondContact NZ-OD1 2.93Å; K107-D427 IonicContact NZ-OD2 3.13Å; N406-D427 PolarHBondContact ND2-O 2.87Å; D427-N429 VanDerWaalsContact C-N 3.27Å; D427-N429 PolarHBondContact O-N 3.41Å
428	K	88.9	Confident	92.7	Very high	143 Å²	143	50 Å²	50	62%	0.622	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	-35.3	176.8	-71.7	169.7	-174.9	175.9	0	111.7	N406 L426	N406-K428 WeakPolarHBondContact ND2-CA 3.43Å; N406-K428 PolarHBondContact ND2-O 2.94Å; L426-K428 PolarHBondContact O-N 2.84Å
429	N	87	Confident	92.8	Very high	129 Å²	129	51.5 Å²	51.5	69%	0.69	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	147.8	-179.5	-64.4	-13.5	0	0	0	110.8	D427	D427-N429 VanDerWaalsContact C-N 3.27Å; D427-N429 PolarHBondContact O-N 3.41Å
430	V	89.8	Confident	93	Very high	19 Å²	19	55.6 Å²	55.6	12%	0.115	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	140.2	169.3	169.5	0	0	0	0	109	Q100 T101 F104 E432	Q100-V430 HydrophobicContact CB-CG1 4.49Å; T101-V430 WeakPolarHBondContact O-CG1 3.38Å; F104-V430 HydrophobicContact CD1-CG2 4.35Å; F104-V430 HydrophobicContact CE1-CB 4.49Å; F104-V430 HydrophobicContact CE1-CG2 3.6Å; F104-V430 HydrophobicContact CZ-CG2 4.01Å; V430-E432 PolarHBondContact O-N 2.66Å
431	T	92.7	Very high	93.2	Very high	21 Å²	21	47.7 Å²	47.7	13%	0.129	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	123.3	173.4	-54.3	0	0	0	0	109.8	T101 F103 R105 L249 V433 V750	T101-T431 WeakPolarHBondContact CB-O 3.4Å; T101-T431 VanDerWaalsContact CG2-O 3.31Å; T101-T431 WeakPolarHBondContact CG2-O 3.43Å; T101-T431 PolarHBondContact N-O 2.96Å; T101-T431 VanDerWaalsContact N-O 3.17Å; T101-T431 PolarHBondContact OG1-O 2.82Å; F103-T431 PolarHBondContact O-N 3.48Å; F103-T431 PolarHBondContact O-OG1 3.45Å; R105-T431 PolarHBondContact N-OG1 3.08Å; L249-T431 HydrophobicContact CD2-CG2 4.4Å; T431-V433 HydrophobicContact CG2-CG2 4.36Å; T431-V750 HydrophobicContact CG2-CG1 3.95Å
432	E	92.9	Very high	93.5	Very high	99 Å²	99	48.7 Å²	48.7	46%	0.463	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	147	171.4	-55.6	-161.3	149.9	0	0	110.5	M98 L99 Q100 V430	M98-E432 HydrophobicContact CG-CB 4.11Å; M98-E432 HydrophobicContact SD-CB 3.96Å; L99-E432 CarbonylContact O-C 3.44Å; L99-E432 WeakPolarHBondContact O-CA 3.28Å; Q100-E432 HydrophobicContact CG-CG 3.96Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.41Å; Q100-E432 PolarHBondContact NE2-OE1 2.91Å; V430-E432 PolarHBondContact O-N 2.66Å
433	V	94.8	Very high	93.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.8	-174.2	-177.3	0	0	0	0	110.2	M98 L99 T101 T431 G435 V747 V750 I751	M98-V433 VanDerWaalsContact SD-C 3.52Å; L99-V433 WeakPolarHBondContact CB-O 3.13Å; L99-V433 PolarHBondContact N-O 2.88Å; L99-V433 PolarHBondContact O-N 3.28Å; T101-V433 HydrophobicContact CG2-CB 4.22Å; T101-V433 HydrophobicContact CG2-CG2 3.5Å; T431-V433 HydrophobicContact CG2-CG2 4.36Å; V433-G435 PolarHBondContact O-N 3.35Å; V433-V747 HydrophobicContact CG1-CG1 3.62Å; V433-V750 HydrophobicContact CB-CB 4.41Å; V433-V750 HydrophobicContact CG1-CB 3.88Å; V433-V750 HydrophobicContact CG1-CG2 4.01Å; V433-V750 HydrophobicContact CG2-CB 3.72Å; V433-V750 HydrophobicContact CG2-CG1 3.78Å; V433-V750 HydrophobicContact CG2-CG2 4.38Å; V433-I751 HydrophobicContact CG2-CG2 4.17Å
434	Q	95.7	Very high	94.1	Very high	126 Å²	126	47.9 Å²	47.9	59%	0.589	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	111.1	170.9	-169.8	177	22.1	0	0	109.4	M98	M98-Q434 HydrophobicContact CE-CB 4.37Å
435	G	96.8	Very high	94.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-177	168.9	0	0	0	0	0	111.8	P96 V97 V433 I746	P96-G435 WeakPolarHBondContact CA-O 3.4Å; V97-G435 PolarHBondContact N-O 2.92Å; V97-G435 PolarHBondContact O-N 3.05Å; V433-G435 PolarHBondContact O-N 3.35Å; G435-I746 CarbonylContact C-O 3.54Å; G435-I746 WeakPolarHBondContact CA-O 3.24Å
436	R	97.4	Very high	94.4	Very high	20 Å²	20	47.6 Å²	47.6	8%	0.075	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.2	175.2	-67.1	171.2	-65.7	103.4	2.9	110.7	G91 D93 V95 T745 I746 D748	G91-R436 VanDerWaalsContact O-CZ 3.24Å; G91-R436 PolarHBondContact O-NE 3.21Å; D93-R436 WeakPolarHBondContact O-CD 3.42Å; D93-R436 PolarHBondContact O-NH1 2.94Å; V95-R436 CarbonylContact O-C 3.58Å; V95-R436 VanDerWaalsContact O-CA 3.28Å; V95-R436 WeakPolarHBondContact O-CA 3.18Å; R436-T745 CarbonylContact O-C 3.51Å; R436-T745 WeakPolarHBondContact O-CA 3.13Å; R436-I746 PolarHBondContact N-O 3.08Å; R436-I746 PolarHBondContact O-N 3.45Å; R436-D748 IonicContact CZ-OD2 2.67Å; R436-D748 IonicContact NH2-OD1 2.63Å; R436-D748 IonicContact NH2-OD2 2.72Å; R436-D748 PolarHBondContact NH2-OD2 3Å
437	I	97.8	Very high	94.1	Very high	35 Å²	35	52.3 Å²	52.3	18%	0.179	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	116.4	170.7	-58.2	169	0	0	0	108.2	G94 V95 V97 L736 P742	G94-I437 CarbonylContact C-O 3.58Å; G94-I437 WeakPolarHBondContact CA-O 3.24Å; V95-I437 PolarHBondContact N-O 3.18Å; V95-I437 PolarHBondContact O-N 3.22Å; V97-I437 HydrophobicContact CG1-CD1 3.66Å; V97-I437 HydrophobicContact CG1-CG1 4.14Å; V97-I437 HydrophobicContact CG2-CD1 4.32Å; V97-I437 HydrophobicContact CG2-CG1 4.04Å; I437-L736 HydrophobicContact CD1-CD2 4.41Å; I437-P742 HydrophobicContact CD1-CG 3.58Å; I437-P742 HydrophobicContact CG1-CG 4.18Å; I437-P742 HydrophobicContact CG2-CG 4.48Å
438	I	95.9	Very high	94	Very high	9 Å²	9	52.6 Å²	52.6	5%	0.046	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-68.1	133	170.8	-62.5	-174.1	0	0	0	109	G744 I746 K792 Y795	I438-G744 PolarHBondContact N-O 3.38Å; I438-I746 HydrophobicContact CD1-CD1 3.5Å; I438-I746 VanDerWaalsContact CD1-CD1 3.5Å; I438-I746 HydrophobicContact CD1-CG1 4.44Å; I438-I746 HydrophobicContact CG1-CD1 4.09Å; I438-K792 HydrophobicContact CD1-CB 4.2Å; I438-K792 HydrophobicContact CG2-CG 4.44Å; I438-Y795 HydrophobicContact CB-CD1 4.07Å; I438-Y795 HydrophobicContact CB-CE1 4.37Å; I438-Y795 HydrophobicContact CG2-CD1 3.88Å; I438-Y795 HydrophobicContact CG2-CE1 4.32Å
439	G	93.9	Very high	94.3	Very high	45 Å²	45	51.5 Å²	51.5	46%	0.464	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-56	159.2	178.1	0	0	0	0	0	114	Q441	G439-Q441 PolarHBondContact O-NE2 3.47Å
440	Q	95.4	Very high	94.7	Very high	96 Å²	96	46.2 Å²	46.2	45%	0.449	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-56.7	148.6	-179.2	-60.4	-177.7	23.9	0	0	111.6	G453	Q440-G453 VanDerWaalsContact CD-C 3.47Å
441	Q	96.3	Very high	95	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.07	26%	0.263	C	S	.	.			trans	-108.1	144.4	-178.7	-56.7	-61.9	-63.6	0	0	110.5	G439 A452 I601 Y795 K796	G439-Q441 PolarHBondContact O-NE2 3.47Å; Q441-A452 WeakPolarHBondContact O-CB 3.24Å; Q441-A452 PolarHBondContact O-N 2.98Å; Q441-I601 HydrophobicContact CB-CD1 3.63Å; Q441-Y795 HydrophobicContact CG-CD1 4.12Å; Q441-Y795 HydrophobicContact CG-CE1 4.06Å; Q441-K796 VanDerWaalsContact OE1-CE 3.22Å; Q441-K796 VanDerWaalsContact OE1-CG 3.28Å
442	N	96.5	Very high	95	Very high	47 Å²	47	47.6 Å²	47.6	25%	0.251	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.7	179.2	-61.8	-48.7	0	0	0	111.4	K449 V450 I601 E602	N442-K449 HydrophobicContact CB-CB 4.38Å; N442-K449 HydrophobicContact CB-CD 4.13Å; N442-K449 HydrophobicContact CB-CG 4.49Å; N442-V450 CarbonylContact C-O 3.52Å; N442-V450 WeakPolarHBondContact CA-O 3.5Å; N442-I601 WeakPolarHBondContact O-CD1 3.48Å; N442-E602 HydrophobicContact CB-CG 4.33Å; N442-E602 WeakPolarHBondContact CB-OE2 3.36Å; N442-E602 PolarHBondContact ND2-OE2 2.81Å
443	I	97.3	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.5	172.8	-50.6	-57.5	0	0	0	108.3	F445 K449 V450 A452 W458 W599 I601 H799	I443-F445 HydrophobicContact CB-CE2 4.14Å; I443-F445 HydrophobicContact CG2-CD2 4.16Å; I443-F445 HydrophobicContact CG2-CE2 3.52Å; I443-F445 HydrophobicContact CG2-CZ 3.99Å; I443-K449 CarbonylContact O-C 3.49Å; I443-K449 WeakPolarHBondContact O-CA 3.23Å; I443-K449 WeakPolarHBondContact O-CB 3.46Å; I443-V450 HydrophobicContact CB-CG2 4.15Å; I443-V450 PolarHBondContact N-O 2.9Å; I443-V450 PolarHBondContact O-N 3.2Å; I443-A452 HydrophobicContact CD1-CB 4.31Å; I443-A452 HydrophobicContact CG1-CB 4.24Å; I443-W458 HydrophobicContact CD1-CD2 3.86Å; I443-W458 HydrophobicContact CD1-CE3 3.85Å; I443-W458 HydrophobicContact CD1-CH2 3.77Å; I443-W458 HydrophobicContact CD1-CZ2 3.79Å; I443-W458 HydrophobicContact CD1-CZ3 3.79Å; I443-W458 HydrophobicContact CG1-CB 4.47Å; I443-W458 HydrophobicContact CG1-CD2 3.67Å; I443-W458 HydrophobicContact CG1-CE3 3.89Å; I443-W458 HydrophobicContact CG1-CG 3.93Å; I443-W458 HydrophobicContact CG1-CZ2 4.46Å; I443-W458 HydrophobicContact CG1-CZ3 4.35Å; I443-W458 HydrophobicContact CG2-CG 4.44Å; I443-W599 HydrophobicContact CG2-CB 3.67Å; I443-W599 HydrophobicContact CG2-CG 3.78Å; I443-I601 HydrophobicContact CD1-CD1 4.24Å; I443-H799 HydrophobicContact CD1-CB 4.32Å
444	V	96.8	Very high	94.8	Very high	38 Å²	38	51.4 Å²	51.4	23%	0.23	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.3	-176.3	-171.1	0	0	0	0	110.1	K449 L468 W599 M600 E602	V444-K449 HydrophobicContact CG2-CB 4.41Å; V444-L468 HydrophobicContact CG1-CD1 4.18Å; V444-W599 CarbonylContact O-C 3.48Å; V444-W599 VanDerWaalsContact O-CA 3.3Å; V444-W599 WeakPolarHBondContact O-CA 3.45Å; V444-W599 WeakPolarHBondContact O-CB 3.47Å; V444-M600 HydrophobicContact CB-CB 4.46Å; V444-M600 PolarHBondContact N-O 2.77Å; V444-M600 PolarHBondContact O-N 3.49Å; V444-E602 HydrophobicContact CG2-CG 3.99Å
445	F	96.4	Very high	94.5	Very high	3 Å²	3	50 Å²	50	1%	0.013	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-179.7	177.6	-75.4	-81.9	0	0	0	109.7	I443 N447 G448 V450 F462 Q465 R466 L468 W599	I443-F445 HydrophobicContact CB-CE2 4.14Å; I443-F445 HydrophobicContact CG2-CD2 4.16Å; I443-F445 HydrophobicContact CG2-CE2 3.52Å; I443-F445 HydrophobicContact CG2-CZ 3.99Å; F445-N447 PolarHBondContact O-N 2.7Å; F445-G448 PolarHBondContact N-O 2.98Å; F445-V450 HydrophobicContact CD2-CG2 4.12Å; F445-V450 HydrophobicContact CE2-CG2 3.74Å; F445-F462 AromaticContact CE1-CD1 3.85Å; F445-F462 HydrophobicContact CE1-CD1 3.85Å; F445-F462 AromaticContact CE1-CE1 3.51Å; F445-F462 HydrophobicContact CE1-CE1 3.51Å; F445-F462 AromaticContact CE1-CZ 4Å; F445-F462 HydrophobicContact CE1-CZ 4Å; F445-F462 HydrophobicContact CZ-CD1 4.23Å; F445-F462 AromaticContact CZ-CE1 3.81Å; F445-F462 HydrophobicContact CZ-CE1 3.81Å; F445-F462 HydrophobicContact CZ-CE2 4.25Å; F445-F462 AromaticContact CZ-CZ 3.8Å; F445-F462 HydrophobicContact CZ-CZ 3.8Å; F445-Q465 HydrophobicContact CB-CB 4.41Å; F445-Q465 HydrophobicContact CD1-CB 3.95Å; F445-Q465 HydrophobicContact CD2-CB 4.39Å; F445-Q465 HydrophobicContact CD2-CG 4.38Å; F445-Q465 HydrophobicContact CE1-CB 4.27Å; F445-Q465 HydrophobicContact CG-CB 4Å; F445-Q465 HydrophobicContact CG-CG 4.38Å; F445-R466 WeakPolarHBondContact CD1-O 3.26Å; F445-L468 WeakPolarHBondContact O-CD1 3.36Å; F445-W599 HydrophobicContact CE1-CB 4.17Å; F445-W599 HydrophobicContact CZ-CB 4.29Å
446	H	93.9	Very high	94.4	Very high	113 Å²	113	50.1 Å²	50.1	52%	0.523	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-42.7	-178.2	-170.1	72.1	0	0	0	112.2	R466 L468	H446-R466 HydrophobicContact CB-CB 4.07Å; H446-R466 PolarHBondContact N-O 3.49Å; H446-L468 PolarHBondContact ND1-O 3.09Å
447	N	87.2	Confident	94.3	Very high	106 Å²	106	51.3 Å²	51.3	57%	0.567	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	51.2	-177.4	-69.6	2.9	0	0	0	111.8	F445	F445-N447 PolarHBondContact O-N 2.7Å
448	G	91.3	Very high	94.1	Very high	39 Å²	39	49.7 Å²	49.7	40%	0.402	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.8	-150.6	173.6	0	0	0	0	0	114.3	F445	F445-G448 PolarHBondContact N-O 2.98Å
449	K	94.5	Very high	93.9	Very high	119 Å²	119	52.3 Å²	52.3	52%	0.517	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	150.6	-172.1	63.3	-173.7	-179.3	-176.5	0	112.4	N442 I443 V444 E602	N442-K449 HydrophobicContact CB-CB 4.38Å; N442-K449 HydrophobicContact CB-CD 4.13Å; N442-K449 HydrophobicContact CB-CG 4.49Å; I443-K449 CarbonylContact O-C 3.49Å; I443-K449 WeakPolarHBondContact O-CA 3.23Å; I443-K449 WeakPolarHBondContact O-CB 3.46Å; V444-K449 HydrophobicContact CG2-CB 4.41Å; K449-E602 VanDerWaalsContact CD-OE1 3.3Å; K449-E602 WeakPolarHBondContact CD-OE1 3.43Å; K449-E602 WeakPolarHBondContact CE-OE1 3.44Å; K449-E602 IonicContact NZ-OE1 3.15Å; K449-E602 PolarHBondContact NZ-OE1 3.04Å
450	V	95.4	Very high	93.6	Very high	18 Å²	18	60.2 Å²	60.2	11%	0.109	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.7	177.8	-60.3	0	0	0	0	110.7	N442 I443 F445 H461	N442-V450 CarbonylContact C-O 3.52Å; N442-V450 WeakPolarHBondContact CA-O 3.5Å; I443-V450 HydrophobicContact CB-CG2 4.15Å; I443-V450 PolarHBondContact N-O 2.9Å; I443-V450 PolarHBondContact O-N 3.2Å; F445-V450 HydrophobicContact CD2-CG2 4.12Å; F445-V450 HydrophobicContact CE2-CG2 3.74Å; V450-H461 HydrophobicContact CG2-CB 4.13Å
451	P	95.3	Very high	93.2	Very high	67 Å²	67	59 Å²	59	44%	0.435	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	146.5	173.1	29.6	-34.9	0	0	0	110.8	G453	P451-G453 PolarHBondContact O-N 2.89Å
452	A	94.1	Very high	92.7	Very high	3 Å²	3	58.5 Å²	58.5	3%	0.025	30%	0.3	C	S	.	.			trans	-67.9	-12.5	176.1	0	0	0	0	0	114.2	Q441 I443 A456 D457 W458	Q441-A452 WeakPolarHBondContact O-CB 3.24Å; Q441-A452 PolarHBondContact O-N 2.98Å; I443-A452 HydrophobicContact CD1-CB 4.31Å; I443-A452 HydrophobicContact CG1-CB 4.24Å; A452-A456 VanDerWaalsContact O-CA 3.25Å; A452-A456 WeakPolarHBondContact O-CA 3.46Å; A452-A456 PolarHBondContact O-N 3.06Å; A452-D457 PolarHBondContact O-N 2.84Å; A452-W458 HydrophobicContact CB-CE3 3.81Å; A452-W458 HydrophobicContact CB-CZ3 3.98Å
453	G	92.9	Very high	91.8	Very high	29 Å²	29	65.9 Å²	65.9	30%	0.299	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	165.9	-175.3	0	0	0	0	0	113.4	Q440 P451 N455 A456	Q440-G453 VanDerWaalsContact CD-C 3.47Å; P451-G453 PolarHBondContact O-N 2.89Å; G453-N455 PolarHBondContact O-N 2.82Å; G453-A456 PolarHBondContact O-N 2.76Å
454	E	89.4	Confident	91.1	Very high	152 Å²	152	72.1 Å²	72.1	71%	0.71	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.3	178.1	-56.9	176	154.4	0	0	112.5	A456	E454-A456 VanDerWaalsContact C-N 3.31Å
455	N	90	Very high	90.8	Very high	95 Å²	95	72.4 Å²	72.4	51%	0.508	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.3	179.4	-82.3	-72.8	0	0	0	113.4	G453 D457 Q765	G453-N455 PolarHBondContact O-N 2.82Å; N455-D457 VanDerWaalsContact C-N 3.26Å; N455-D457 PolarHBondContact O-N 2.9Å; N455-Q765 WeakPolarHBondContact O-CG 3.09Å; N455-Q765 PolarHBondContact O-NE2 2.84Å
456	A	95.1	Very high	90.7	Very high	3 Å²	3	78.9 Å²	78.9	3%	0.025	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	45	-177.1	0	0	0	0	0	113.8	A452 G453 E454 P743 G806 T807	A452-A456 VanDerWaalsContact O-CA 3.25Å; A452-A456 WeakPolarHBondContact O-CA 3.46Å; A452-A456 PolarHBondContact O-N 3.06Å; G453-A456 PolarHBondContact O-N 2.76Å; E454-A456 VanDerWaalsContact C-N 3.31Å; A456-P743 HydrophobicContact CB-CB 3.63Å; A456-P743 HydrophobicContact CB-CG 3.79Å; A456-G806 CarbonylContact O-C 3.59Å; A456-G806 WeakPolarHBondContact O-CA 3.22Å; A456-T807 HydrophobicContact CB-CG2 3.72Å; A456-T807 WeakPolarHBondContact CB-OG1 3.43Å; A456-T807 PolarHBondContact O-N 2.85Å
457	D	94.2	Very high	90.9	Very high	46 Å²	46	73.5 Å²	73.5	25%	0.246	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-135.6	110.4	178.5	-179.5	-27.2	0	0	0	107.8	A452 N455 Q459 R767	A452-D457 PolarHBondContact O-N 2.84Å; N455-D457 VanDerWaalsContact C-N 3.26Å; N455-D457 PolarHBondContact O-N 2.9Å; D457-Q459 VanDerWaalsContact OD1-CB 3.27Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.43Å; D457-Q459 PolarHBondContact OD1-N 3.39Å; D457-R767 IonicContact OD2-NH2 2.74Å
458	W	94.6	Very high	91.3	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.337	C	S	.	.			trans	-106.2	19.2	-177	52.9	97.8	0	0	0	112.5	I443 A452 R460 H461 F462 W599 H799 S805 G806	I443-W458 HydrophobicContact CD1-CD2 3.86Å; I443-W458 HydrophobicContact CD1-CE3 3.85Å; I443-W458 HydrophobicContact CD1-CH2 3.77Å; I443-W458 HydrophobicContact CD1-CZ2 3.79Å; I443-W458 HydrophobicContact CD1-CZ3 3.79Å; I443-W458 HydrophobicContact CG1-CB 4.47Å; I443-W458 HydrophobicContact CG1-CD2 3.67Å; I443-W458 HydrophobicContact CG1-CE3 3.89Å; I443-W458 HydrophobicContact CG1-CG 3.93Å; I443-W458 HydrophobicContact CG1-CZ2 4.46Å; I443-W458 HydrophobicContact CG1-CZ3 4.35Å; I443-W458 HydrophobicContact CG2-CG 4.44Å; A452-W458 HydrophobicContact CB-CE3 3.81Å; A452-W458 HydrophobicContact CB-CZ3 3.98Å; W458-R460 PolarHBondContact O-N 2.62Å; W458-H461 PolarHBondContact O-N 3Å; W458-H461 VanDerWaalsContact O-N 3.08Å; W458-F462 AromaticContact CD1-CE2 3.4Å; W458-F462 AromaticContact CD1-CZ 3.7Å; W458-F462 HydrophobicContact CG-CE2 4.42Å; W458-F462 AromaticContact NE1-CE2 3.93Å; W458-F462 AromaticContact NE1-CZ 3.87Å; W458-F462 WeakPolarHBondContact O-CD2 3.25Å; W458-W599 AromaticContact CE2-CE2 3.96Å; W458-W599 AromaticContact CE2-NE1 3.95Å; W458-W599 AromaticContact CZ2-CE2 3.74Å; W458-W599 AromaticContact CZ2-CZ2 3.79Å; W458-W599 HydrophobicContact CZ2-CZ2 3.79Å; W458-W599 AromaticContact CZ2-NE1 3.51Å; W458-W599 AromaticContact NE1-CD2 3.79Å; W458-W599 AromaticContact NE1-CE2 3.54Å; W458-W599 AromaticContact NE1-CZ2 3.79Å; W458-W599 AromaticContact NE1-NE1 3.84Å; W458-H799 HydrophobicContact CH2-CB 3.86Å; W458-H799 AromaticContact CH2-CD2 3.73Å; W458-H799 WeakPolarHBondContact CZ2-O 3.43Å; W458-H799 AromaticContact CZ3-CD2 3.66Å; W458-S805 PolarHBondContact N-O 2.94Å; W458-G806 VanDerWaalsContact CH2-O 3.3Å; W458-G806 WeakPolarHBondContact CH2-O 3.47Å; W458-G806 VanDerWaalsContact CZ3-C 3.48Å
459	Q	90.6	Very high	91.6	Very high	65 Å²	65	70.7 Å²	70.7	30%	0.304	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.7	-177.9	-160.1	-163.1	-64.2	0	0	113.1	D457 S805	D457-Q459 VanDerWaalsContact OD1-CB 3.27Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.43Å; D457-Q459 PolarHBondContact OD1-N 3.39Å; Q459-S805 VanDerWaalsContact CB-OG 3.24Å; Q459-S805 WeakPolarHBondContact CB-OG 3.31Å; Q459-S805 WeakPolarHBondContact CG-OG 3.41Å
460	R	87.7	Confident	91.7	Very high	210 Å²	210	67.1 Å²	67.1	79%	0.792	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-35.4	-179	-64	-176.4	-179.8	-171.7	0.1	112.7	W458 F462 R463	W458-R460 PolarHBondContact O-N 2.62Å; R460-F462 VanDerWaalsContact C-N 3.32Å; R460-F462 PolarHBondContact O-N 2.92Å; R460-R463 WeakPolarHBondContact O-CG 3.25Å; R460-R463 PolarHBondContact O-N 2.78Å
461	H	88.7	Confident	91.7	Very high	71 Å²	71	66.9 Å²	66.9	33%	0.329	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-71	-21.6	-172.3	-63.3	-72.1	0	0	0	114	V450 W458 R463 D464 Q465	V450-H461 HydrophobicContact CG2-CB 4.13Å; W458-H461 PolarHBondContact O-N 3Å; W458-H461 VanDerWaalsContact O-N 3.08Å; H461-R463 PolarHBondContact O-N 3.44Å; H461-D464 PolarHBondContact O-N 3.18Å; H461-Q465 VanDerWaalsContact O-CB 3.31Å; H461-Q465 WeakPolarHBondContact O-CB 3.28Å; H461-Q465 WeakPolarHBondContact O-CG 3.33Å; H461-Q465 PolarHBondContact O-N 3.19Å
462	F	84.1	Confident	91.4	Very high	5 Å²	5	68.6 Å²	68.6	2%	0.022	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-64.6	-6.8	175.3	-66.9	-88.3	0	0	0	114.9	F445 W458 R460 M504 T584 I588 W599	F445-F462 AromaticContact CE1-CD1 3.85Å; F445-F462 HydrophobicContact CE1-CD1 3.85Å; F445-F462 AromaticContact CE1-CE1 3.51Å; F445-F462 HydrophobicContact CE1-CE1 3.51Å; F445-F462 AromaticContact CE1-CZ 4Å; F445-F462 HydrophobicContact CE1-CZ 4Å; F445-F462 HydrophobicContact CZ-CD1 4.23Å; F445-F462 AromaticContact CZ-CE1 3.81Å; F445-F462 HydrophobicContact CZ-CE1 3.81Å; F445-F462 HydrophobicContact CZ-CE2 4.25Å; F445-F462 AromaticContact CZ-CZ 3.8Å; F445-F462 HydrophobicContact CZ-CZ 3.8Å; W458-F462 AromaticContact CD1-CE2 3.4Å; W458-F462 AromaticContact CD1-CZ 3.7Å; W458-F462 HydrophobicContact CG-CE2 4.42Å; W458-F462 AromaticContact NE1-CE2 3.93Å; W458-F462 AromaticContact NE1-CZ 3.87Å; W458-F462 WeakPolarHBondContact O-CD2 3.25Å; R460-F462 VanDerWaalsContact C-N 3.32Å; R460-F462 PolarHBondContact O-N 2.92Å; F462-M504 HydrophobicContact CB-SD 4.16Å; F462-M504 HydrophobicContact CD1-SD 4.04Å; F462-M504 WeakPolarHBondContact O-CG 3.38Å; F462-T584 HydrophobicContact CB-CG2 4.18Å; F462-I588 HydrophobicContact CD1-CD1 3.68Å; F462-I588 HydrophobicContact CD1-CG1 4.38Å; F462-I588 HydrophobicContact CE1-CD1 3.74Å; F462-I588 HydrophobicContact CE1-CG1 4.42Å; F462-I588 HydrophobicContact CG-CD1 4.12Å; F462-I588 HydrophobicContact CZ-CD1 4.25Å; F462-W599 AromaticContact CE1-CE3 3.63Å; F462-W599 HydrophobicContact CE1-CE3 3.63Å; F462-W599 AromaticContact CE1-CZ3 3.88Å; F462-W599 HydrophobicContact CE1-CZ3 3.88Å; F462-W599 HydrophobicContact CE2-CZ3 4.45Å; F462-W599 HydrophobicContact CZ-CD2 4.13Å; F462-W599 AromaticContact CZ-CE3 3.33Å; F462-W599 HydrophobicContact CZ-CE3 3.33Å; F462-W599 HydrophobicContact CZ-CH2 4.28Å; F462-W599 AromaticContact CZ-CZ3 3.43Å; F462-W599 HydrophobicContact CZ-CZ3 3.43Å; F462-W599 VanDerWaalsContact CZ-CZ3 3.43Å
463	R	79.2	Confident	91.2	Very high	201 Å²	201	72 Å²	72	76%	0.758	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-71.6	-36.2	173.4	-69	178.2	172.6	-166	-4.7	111.8	R460 H461	R460-R463 WeakPolarHBondContact O-CG 3.25Å; R460-R463 PolarHBondContact O-N 2.78Å; H461-R463 PolarHBondContact O-N 3.44Å
464	D	80.9	Confident	91.2	Very high	132 Å²	132	70.6 Å²	70.6	71%	0.706	34%	0.338	S	S	*	.	S	Bend	trans	-122.5	11.3	-164.5	-36.3	-62.5	0	0	0	111.2	H461	H461-D464 PolarHBondContact O-N 3.18Å
465	Q	90.6	Very high	91.5	Very high	43 Å²	43	63.4 Å²	63.4	20%	0.201	30%	0.304	C	S	.	.			trans	-132.7	134.6	-175.2	-71	-64.5	-36.2	0	0	112.1	F445 H461	F445-Q465 HydrophobicContact CB-CB 4.41Å; F445-Q465 HydrophobicContact CD1-CB 3.95Å; F445-Q465 HydrophobicContact CD2-CB 4.39Å; F445-Q465 HydrophobicContact CD2-CG 4.38Å; F445-Q465 HydrophobicContact CE1-CB 4.27Å; F445-Q465 HydrophobicContact CG-CB 4Å; F445-Q465 HydrophobicContact CG-CG 4.38Å; H461-Q465 VanDerWaalsContact O-CB 3.31Å; H461-Q465 WeakPolarHBondContact O-CB 3.28Å; H461-Q465 WeakPolarHBondContact O-CG 3.33Å; H461-Q465 PolarHBondContact O-N 3.19Å
466	R	95.5	Very high	91.6	Very high	139 Å²	139	60.9 Å²	60.9	53%	0.525	29%	0.291	S	S	.	.			trans	-81	137.5	172.9	-66.4	-177.3	-178.5	178.8	1.9	110.9	F445 H446 M504	F445-R466 WeakPolarHBondContact CD1-O 3.26Å; H446-R466 HydrophobicContact CB-CB 4.07Å; H446-R466 PolarHBondContact N-O 3.49Å; R466-M504 WeakPolarHBondContact CA-O 3.4Å
467	M	96.9	Very high	91.7	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	31%	0.312	C	S	.	.			trans	-55.7	137.8	174.3	-81.3	-175.4	-62.4	0	0	111.1	T469 T470 M504 L506 I588 N591 P598	M467-T469 VanDerWaalsContact C-N 3.31Å; M467-T469 PolarHBondContact O-N 3.35Å; M467-T470 HydrophobicContact CB-CG2 3.92Å; M467-T470 HydrophobicContact CE-CG2 4.04Å; M467-M504 HydrophobicContact CE-CB 3.94Å; M467-M504 HydrophobicContact CE-CE 4.26Å; M467-M504 HydrophobicContact CG-CB 4.2Å; M467-M504 PolarHBondContact N-O 3.05Å; M467-M504 HydrophobicContact SD-SD 4.46Å; M467-L506 HydrophobicContact CE-CB 3.61Å; M467-L506 HydrophobicContact CE-CD2 4.32Å; M467-I588 HydrophobicContact SD-CB 4.49Å; M467-I588 HydrophobicContact SD-CG1 4.02Å; M467-N591 HydrophobicContact CE-CB 3.81Å; M467-N591 HydrophobicContact SD-CB 3.84Å; M467-P598 WeakPolarHBondContact CA-O 3.42Å; M467-P598 HydrophobicContact CB-CB 4.44Å; M467-P598 HydrophobicContact CG-CB 3.75Å; M467-P598 HydrophobicContact SD-CB 3.64Å
468	L	96.8	Very high	91.9	Very high	31 Å²	31	64.8 Å²	64.8	16%	0.162	30%	0.301	C	S	.	.	S	Bend	trans	-50.1	-46.7	-170.8	179.5	67.3	0	0	0	113.9	V444 F445 H446 T597 P598 M600	V444-L468 HydrophobicContact CG1-CD1 4.18Å; F445-L468 WeakPolarHBondContact O-CD1 3.36Å; H446-L468 PolarHBondContact ND1-O 3.09Å; L468-T597 HydrophobicContact CD2-CG2 4.41Å; L468-T597 PolarHBondContact N-O 2.99Å; L468-P598 PolarHBondContact N-O 2.99Å; L468-M600 HydrophobicContact CD2-CB 3.35Å; L468-M600 HydrophobicContact CD2-CG 4.45Å
469	T	96.6	Very high	92.1	Very high	54 Å²	54	64.8 Å²	64.8	33%	0.331	30%	0.301	S	S	.	.			trans	-131.9	143.6	169.7	61.4	0	0	0	0	110.7	M467 N591 T597	M467-T469 VanDerWaalsContact C-N 3.31Å; M467-T469 PolarHBondContact O-N 3.35Å; T469-N591 PolarHBondContact O-ND2 2.73Å; T469-T597 PolarHBondContact N-O 2.67Å; T469-T597 VanDerWaalsContact O-O 3.09Å; T469-T597 WeakPolarHBondContact OG1-CB 3.49Å; T469-T597 PolarHBondContact OG1-N 2.81Å; T469-T597 PolarHBondContact OG1-O 2.73Å; T469-T597 PolarHBondContact OG1-OG1 2.98Å
470	T	96.3	Very high	92.4	Very high	45 Å²	45	61.7 Å²	61.7	28%	0.276	29%	0.287	S	S	.	.			trans	-142.7	154.3	175.5	52.1	0	0	0	0	108.8	M467 S472 G505 L506 Y596	M467-T470 HydrophobicContact CB-CG2 3.92Å; M467-T470 HydrophobicContact CE-CG2 4.04Å; T470-S472 PolarHBondContact O-N 3.2Å; T470-G505 PolarHBondContact OG1-O 3.24Å; T470-L506 HydrophobicContact CG2-CB 4.31Å; T470-Y596 VanDerWaalsContact C-CD1 3.44Å
471	P	95.5	Very high	93	Very high	12 Å²	12	51.7 Å²	51.7	8%	0.078	25%	0.249	C	C	.	.			trans	-61.8	133.9	173.3	23.3	-31.4	0	0	0	111.1	D473 G474 L506 N591 L594 Y596	P471-D473 VanDerWaalsContact C-N 3.28Å; P471-D473 PolarHBondContact O-N 2.75Å; P471-G474 WeakPolarHBondContact O-CA 3.21Å; P471-G474 PolarHBondContact O-N 2.76Å; P471-L506 HydrophobicContact CG-CD1 3.97Å; P471-N591 WeakPolarHBondContact CD-OD1 3.3Å; P471-L594 HydrophobicContact CG-CD1 4.17Å; P471-Y596 HydrophobicContact CB-CD2 4.39Å; P471-Y596 HydrophobicContact CB-CE1 4.23Å; P471-Y596 HydrophobicContact CB-CE2 3.74Å; P471-Y596 HydrophobicContact CG-CD2 4.31Å; P471-Y596 HydrophobicContact CG-CE2 4.11Å
472	S	90.9	Very high	93.4	Very high	103 Å²	103	48.3 Å²	48.3	72%	0.72	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-39.4	175.1	48	0	0	0	0	112.6	T470 G474 R507	T470-S472 PolarHBondContact O-N 3.2Å; S472-G474 PolarHBondContact O-N 2.88Å; S472-R507 PolarHBondContact O-NH2 2.76Å; S472-R507 VanDerWaalsContact O-NH2 3.11Å
473	D	87.9	Confident	94	Very high	75 Å²	75	48.1 Å²	48.1	40%	0.401	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-24.4	175.2	-52.6	-25.8	0	0	0	111.8	P471 D476 R507 K537	P471-D473 VanDerWaalsContact C-N 3.28Å; P471-D473 PolarHBondContact O-N 2.75Å; D473-D476 HydrophobicContact CB-CB 4.45Å; D473-R507 PolarHBondContact O-NE 2.82Å; D473-R507 VanDerWaalsContact O-NE 3.08Å; D473-R507 PolarHBondContact O-NH2 3.47Å; D473-K537 IonicContact OD2-NZ 3.66Å; D473-K537 PolarHBondContact OD2-NZ 2.82Å
474	G	93.9	Very high	94.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.			trans	77.3	-160	-161.7	0	0	0	0	0	112.4	P471 S472 D476 R507	P471-G474 WeakPolarHBondContact O-CA 3.21Å; P471-G474 PolarHBondContact O-N 2.76Å; S472-G474 PolarHBondContact O-N 2.88Å; G474-D476 PolarHBondContact O-N 2.8Å; G474-R507 CarbonylContact C-O 3.59Å; G474-R507 WeakPolarHBondContact CA-O 3.42Å
475	L	96.2	Very high	95.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-91.4	87.4	163.1	-172.3	57.4	0	0	0	108.1	W478 R507 I508 R509 K537 L538 L590 L594	L475-W478 HydrophobicContact CD1-CB 3.68Å; L475-W478 HydrophobicContact CD1-CG 4Å; L475-W478 HydrophobicContact CD2-CB 4.23Å; L475-W478 HydrophobicContact CD2-CD2 3.66Å; L475-W478 HydrophobicContact CD2-CE3 4.01Å; L475-W478 HydrophobicContact CD2-CG 3.8Å; L475-W478 HydrophobicContact CG-CB 3.85Å; L475-W478 HydrophobicContact CG-CD2 3.98Å; L475-W478 HydrophobicContact CG-CG 3.56Å; L475-R507 PolarHBondContact N-O 3.29Å; L475-I508 HydrophobicContact CB-CB 4.47Å; L475-I508 HydrophobicContact CB-CG1 4.11Å; L475-I508 HydrophobicContact CB-CG2 4.33Å; L475-I508 HydrophobicContact CD2-CG2 4.34Å; L475-R509 PolarHBondContact O-N 3.43Å; L475-K537 HydrophobicContact CD1-CB 4.17Å; L475-L538 HydrophobicContact CD1-CB 4.2Å; L475-L590 HydrophobicContact CD2-CD1 4.19Å; L475-L594 HydrophobicContact CB-CD1 4.41Å; L475-L594 HydrophobicContact CD1-CD1 4.03Å; L475-L594 HydrophobicContact CD1-CD2 3.91Å
476	D	92.4	Very high	95.8	Very high	43 Å²	43	43.5 Å²	43.5	23%	0.23	21%	0.21	C	C	.	.			trans	-92.6	-42.6	-171.9	58.6	-20.9	0	0	0	113.7	D473 G474 K537	D473-D476 HydrophobicContact CB-CB 4.45Å; G474-D476 PolarHBondContact O-N 2.8Å; D476-K537 WeakPolarHBondContact OD1-CD 3.33Å; D476-K537 WeakPolarHBondContact OD1-CE 3.41Å; D476-K537 IonicContact OD1-NZ 3.77Å; D476-K537 PolarHBondContact OD1-NZ 2.95Å; D476-K537 IonicContact OD2-NZ 2.74Å; D476-K537 PolarHBondContact OD2-NZ 3.43Å
477	R	96.2	Very high	95.8	Very high	125 Å²	125	38.2 Å²	38.2	47%	0.472	19%	0.194	S	C	.	.	S	Bend	trans	-121.9	101.6	179.4	-170.4	173.7	73.8	-170.4	0.7	109.7	S534 D535 K537	R477-S534 WeakPolarHBondContact CD-O 3.5Å; R477-S534 PolarHBondContact NE-O 3.35Å; R477-D535 VanDerWaalsContact CZ-O 3.23Å; R477-D535 PolarHBondContact NE-O 3.05Å; R477-D535 PolarHBondContact NH2-O 3Å; R477-K537 WeakPolarHBondContact O-CB 3.16Å; R477-K537 PolarHBondContact O-N 2.91Å
478	W	98.1	Very high	95.7	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.019	23%	0.225	C	C	.	.			trans	-155.9	168	-177.7	74	-64.5	0	0	0	110.3	L475 V480 L494 L497 Y498 I508 R509 P511 Q512 L538 L540	L475-W478 HydrophobicContact CD1-CB 3.68Å; L475-W478 HydrophobicContact CD1-CG 4Å; L475-W478 HydrophobicContact CD2-CB 4.23Å; L475-W478 HydrophobicContact CD2-CD2 3.66Å; L475-W478 HydrophobicContact CD2-CE3 4.01Å; L475-W478 HydrophobicContact CD2-CG 3.8Å; L475-W478 HydrophobicContact CG-CB 3.85Å; L475-W478 HydrophobicContact CG-CD2 3.98Å; L475-W478 HydrophobicContact CG-CG 3.56Å; W478-V480 HydrophobicContact CE3-CG2 4.27Å; W478-V480 HydrophobicContact CH2-CG2 3.98Å; W478-V480 HydrophobicContact CZ3-CG2 3.67Å; W478-L494 HydrophobicContact CH2-CD2 3.65Å; W478-L494 HydrophobicContact CZ2-CD2 4.27Å; W478-L497 HydrophobicContact CH2-CD2 3.99Å; W478-Y498 HydrophobicContact CZ2-CE1 4.28Å; W478-I508 HydrophobicContact CZ2-CG2 3.54Å; W478-R509 PolarHBondContact NE1-O 3.37Å; W478-P511 HydrophobicContact CD2-CB 3.85Å; W478-P511 HydrophobicContact CE3-CB 4.23Å; W478-P511 HydrophobicContact CG-CB 4.32Å; W478-P511 HydrophobicContact CH2-CB 4.25Å; W478-P511 HydrophobicContact CH2-CG 4.25Å; W478-P511 HydrophobicContact CZ2-CB 3.85Å; W478-P511 HydrophobicContact CZ2-CG 3.92Å; W478-P511 HydrophobicContact CZ3-CB 4.42Å; W478-P511 WeakPolarHBondContact O-CA 3.49Å; W478-Q512 PolarHBondContact O-N 2.89Å; W478-L538 WeakPolarHBondContact CA-O 3.44Å; W478-L538 VanDerWaalsContact CB-O 3.32Å; W478-L538 WeakPolarHBondContact CB-O 3.12Å; W478-L538 HydrophobicContact CE3-CD2 4.21Å; W478-L540 HydrophobicContact CZ3-CB 4.05Å; W478-L540 HydrophobicContact CZ3-CD1 4.35Å
479	A	98.4	Very high	95.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.9	-174	0	0	0	0	0	113.3	Q512 F514 C531 L538 I539 L540	A479-Q512 CarbonylContact C-O 3.57Å; A479-Q512 VanDerWaalsContact CA-O 3.26Å; A479-Q512 WeakPolarHBondContact CA-O 3.46Å; A479-Q512 HydrophobicContact CB-CB 4.16Å; A479-Q512 WeakPolarHBondContact CB-O 3.49Å; A479-F514 HydrophobicContact CB-CD2 4.21Å; A479-F514 HydrophobicContact CB-CE2 4.3Å; A479-C531 WeakPolarHBondContact CB-SG 3.34Å; A479-L538 PolarHBondContact N-O 3.35Å; A479-L538 VanDerWaalsContact N-O 3.17Å; A479-I539 WeakPolarHBondContact O-CA 3.28Å; A479-L540 PolarHBondContact O-N 3.19Å
480	V	98.6	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.3	174.2	-177	0	0	0	0	110.7	W478 L490 L494 P511 Q512 F514 L540	W478-V480 HydrophobicContact CE3-CG2 4.27Å; W478-V480 HydrophobicContact CH2-CG2 3.98Å; W478-V480 HydrophobicContact CZ3-CG2 3.67Å; V480-L490 HydrophobicContact CG1-CD1 3.58Å; V480-L490 HydrophobicContact CG1-CD2 3.84Å; V480-L490 HydrophobicContact CG1-CG 4.39Å; V480-L494 HydrophobicContact CG2-CD2 4.19Å; V480-P511 HydrophobicContact CB-CB 4.5Å; V480-P511 HydrophobicContact CB-CG 4.46Å; V480-P511 HydrophobicContact CG2-CB 3.7Å; V480-P511 HydrophobicContact CG2-CG 3.63Å; V480-Q512 PolarHBondContact N-O 3.35Å; V480-F514 PolarHBondContact O-N 2.83Å; V480-L540 CarbonylContact C-O 3.51Å; V480-L540 VanDerWaalsContact CA-O 3.27Å; V480-L540 WeakPolarHBondContact CA-O 3.34Å; V480-L540 HydrophobicContact CG1-CD2 3.93Å; V480-L540 HydrophobicContact CG2-CB 4.27Å
481	I	98.6	Very high	95.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.1	174.1	-57.5	168.2	0	0	0	108.9	F514 I516 Y524 A527 M528 I539 L540 C541 L542	I481-F514 WeakPolarHBondContact CA-O 3.1Å; I481-F514 HydrophobicContact CG1-CB 3.91Å; I481-I516 HydrophobicContact CG2-CD1 4.03Å; I481-I516 HydrophobicContact CG2-CG1 4.47Å; I481-I516 HydrophobicContact CG2-CG2 4.31Å; I481-Y524 HydrophobicContact CB-CD1 4.49Å; I481-Y524 HydrophobicContact CG2-CD1 3.7Å; I481-Y524 HydrophobicContact CG2-CE1 4.15Å; I481-Y524 HydrophobicContact CG2-CG 4.5Å; I481-A527 HydrophobicContact CD1-CB 4.04Å; I481-A527 HydrophobicContact CG1-CB 4.27Å; I481-A527 HydrophobicContact CG2-CB 3.94Å; I481-M528 HydrophobicContact CD1-CB 4.22Å; I481-M528 HydrophobicContact CD1-CG 3.36Å; I481-I539 HydrophobicContact CD1-CG2 3.78Å; I481-I539 HydrophobicContact CG1-CG2 4.15Å; I481-L540 PolarHBondContact N-O 3.29Å; I481-C541 WeakPolarHBondContact O-CA 3.25Å; I481-L542 PolarHBondContact O-N 2.87Å
482	A	98.1	Very high	95.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	147.2	-178.4	0	0	0	0	0	112.6	L490 F514 I515 I516 L542	A482-L490 HydrophobicContact CB-CD2 3.85Å; A482-F514 PolarHBondContact N-O 2.89Å; A482-I515 WeakPolarHBondContact O-CA 3.49Å; A482-I516 WeakPolarHBondContact O-CG1 3.21Å; A482-I516 PolarHBondContact O-N 2.87Å; A482-L542 HydrophobicContact CB-CB 4.01Å; A482-L542 HydrophobicContact CB-CD2 4.33Å
483	P	97	Very high	96.2	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.013	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	140.2	172	-21.3	34.4	0	0	0	112.4	R485 N486 I516 D519 Y524 L542	P483-R485 HydrophobicContact CB-CG 4.21Å; P483-R485 PolarHBondContact O-N 2.95Å; P483-R485 VanDerWaalsContact O-N 3.14Å; P483-N486 WeakPolarHBondContact O-CA 3.28Å; P483-N486 PolarHBondContact O-N 2.92Å; P483-I516 CarbonylContact C-O 3.52Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.46Å; P483-D519 HydrophobicContact CG-CB 4.08Å; P483-Y524 WeakPolarHBondContact CD-OH 3.48Å; P483-Y524 VanDerWaalsContact CG-OH 3.29Å; P483-Y524 WeakPolarHBondContact CG-OH 3.42Å; P483-L542 WeakPolarHBondContact CD-O 3.49Å
484	Q	96.2	Very high	96.7	Very high	117 Å²	117	40.9 Å²	40.9	55%	0.547	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-52.1	-38.8	-178.8	-172.1	-179.1	-0.2	0	0	113.6	N486 S487 I515 I516	Q484-N486 PolarHBondContact O-N 3.46Å; Q484-S487 PolarHBondContact O-N 3.31Å; Q484-S487 PolarHBondContact O-OG 3.06Å; Q484-S487 VanDerWaalsContact O-OG 3.11Å; Q484-I515 VanDerWaalsContact CA-CG2 3.48Å; Q484-I515 HydrophobicContact CB-CG2 3.62Å; Q484-I515 HydrophobicContact CG-CG2 4.02Å; Q484-I516 PolarHBondContact N-O 2.9Å
485	R	95.9	Very high	96.8	Very high	153 Å²	153	44.6 Å²	44.6	58%	0.577	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-64.1	-7	175.9	72.7	-179.4	-172.2	-150.6	-5.1	114.7	P483 D519	P483-R485 HydrophobicContact CB-CG 4.21Å; P483-R485 PolarHBondContact O-N 2.95Å; P483-R485 VanDerWaalsContact O-N 3.14Å; R485-D519 IonicContact CZ-OD2 3.66Å; R485-D519 IonicContact NH1-OD2 3.73Å; R485-D519 VanDerWaalsContact NH2-CG 3.33Å; R485-D519 IonicContact NH2-OD2 2.73Å; R485-D519 PolarHBondContact NH2-OD2 2.92Å
486	N	95.6	Very high	96.8	Very high	9 Å²	9	45.3 Å²	45.3	5%	0.048	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-123.3	14	-176.1	-66.1	126.4	0	0	0	113.8	P483 Q484 H488 E489 L490 L542 L571	P483-N486 WeakPolarHBondContact O-CA 3.28Å; P483-N486 PolarHBondContact O-N 2.92Å; Q484-N486 PolarHBondContact O-N 3.46Å; N486-H488 VanDerWaalsContact C-N 3.26Å; N486-H488 PolarHBondContact O-N 3.09Å; N486-E489 VanDerWaalsContact CA-OE2 3.29Å; N486-E489 WeakPolarHBondContact CA-OE2 3.39Å; N486-E489 PolarHBondContact ND2-OE1 2.88Å; N486-E489 PolarHBondContact ND2-OE2 2.95Å; N486-E489 PolarHBondContact O-N 3.34Å; N486-L490 PolarHBondContact O-N 3.44Å; N486-L542 HydrophobicContact CB-CD2 4.33Å; N486-L571 HydrophobicContact CB-CD1 4.21Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.34Å
487	S	94.8	Very high	97.1	Very high	27 Å²	27	43.3 Å²	43.3	19%	0.189	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-28.1	178.5	-57.4	0	0	0	0	113.7	Q484 R491	Q484-S487 PolarHBondContact O-N 3.31Å; Q484-S487 PolarHBondContact O-OG 3.06Å; Q484-S487 VanDerWaalsContact O-OG 3.11Å; S487-R491 WeakPolarHBondContact O-CG 3.45Å; S487-R491 PolarHBondContact O-N 2.96Å; S487-R491 VanDerWaalsContact O-N 3.12Å
488	H	96.1	Very high	97.1	Very high	141 Å²	141	39.8 Å²	39.8	65%	0.653	18%	0.182	S	C	*	.	H	α-helix	trans	-68.1	-50.8	174.2	177.5	77.7	0	0	0	111.3	N486 L490 R491 T492	N486-H488 VanDerWaalsContact C-N 3.26Å; N486-H488 PolarHBondContact O-N 3.09Å; H488-L490 PolarHBondContact O-N 2.88Å; H488-R491 PolarHBondContact O-N 3.11Å; H488-T492 PolarHBondContact O-N 3.02Å; H488-T492 PolarHBondContact O-OG1 3.1Å
489	E	96.9	Very high	97	Very high	25 Å²	25	48.1 Å²	48.1	12%	0.117	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-27.1	176.1	-64.2	101.5	141.7	0	0	113.4	N486 L493 L571 T574 K575	N486-E489 VanDerWaalsContact CA-OE2 3.29Å; N486-E489 WeakPolarHBondContact CA-OE2 3.39Å; N486-E489 PolarHBondContact ND2-OE1 2.88Å; N486-E489 PolarHBondContact ND2-OE2 2.95Å; N486-E489 PolarHBondContact O-N 3.34Å; E489-L493 WeakPolarHBondContact O-CB 3.43Å; E489-L493 PolarHBondContact O-N 3.13Å; E489-L493 VanDerWaalsContact O-N 3.15Å; E489-L571 HydrophobicContact CB-CD1 3.68Å; E489-L571 HydrophobicContact CG-CD1 3.73Å; E489-T574 HydrophobicContact CB-CG2 4.5Å; E489-T574 WeakPolarHBondContact CB-OG1 3.48Å; E489-K575 HydrophobicContact CG-CG 4.47Å; E489-K575 WeakPolarHBondContact OE1-CE 3.11Å; E489-K575 IonicContact OE1-NZ 3.04Å; E489-K575 PolarHBondContact OE1-NZ 3.26Å
490	L	97.2	Very high	96.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-64.2	-51.6	171.1	173.2	56.9	0	0	0	111.5	V480 A482 N486 H488 T492 L493 L494 I515 L542	V480-L490 HydrophobicContact CG1-CD1 3.58Å; V480-L490 HydrophobicContact CG1-CD2 3.84Å; V480-L490 HydrophobicContact CG1-CG 4.39Å; A482-L490 HydrophobicContact CB-CD2 3.85Å; N486-L490 PolarHBondContact O-N 3.44Å; H488-L490 PolarHBondContact O-N 2.88Å; L490-T492 VanDerWaalsContact C-N 3.34Å; L490-T492 PolarHBondContact O-N 3.26Å; L490-L493 WeakPolarHBondContact O-CA 3.05Å; L490-L493 WeakPolarHBondContact O-CB 3.37Å; L490-L493 PolarHBondContact O-N 3.41Å; L490-L494 HydrophobicContact CD1-CD1 3.85Å; L490-L494 HydrophobicContact CD1-CD2 4.31Å; L490-L494 HydrophobicContact CD1-CG 3.77Å; L490-L494 HydrophobicContact CG-CD1 3.95Å; L490-L494 HydrophobicContact CG-CG 4.29Å; L490-L494 WeakPolarHBondContact O-CG 3.29Å; L490-L494 PolarHBondContact O-N 2.68Å; L490-I515 HydrophobicContact CD2-CD1 4.41Å; L490-L542 HydrophobicContact CB-CD2 3.84Å
491	R	97	Very high	96.6	Very high	152 Å²	152	48.6 Å²	48.6	57%	0.574	22%	0.217	S	C	*	.	H	α-helix	trans	-57.2	-47.5	179.8	-71.3	173.5	-175.9	179.2	1.5	111.3	S487 H488 L493 L494 D495	S487-R491 WeakPolarHBondContact O-CG 3.45Å; S487-R491 PolarHBondContact O-N 2.96Å; S487-R491 VanDerWaalsContact O-N 3.12Å; H488-R491 PolarHBondContact O-N 3.11Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.11Å; R491-L494 PolarHBondContact O-N 3.07Å; R491-D495 PolarHBondContact O-N 3.26Å
492	T	97.1	Very high	96.3	Very high	53 Å²	53	52 Å²	52	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-57.3	-36.3	175.4	-53	0	0	0	0	113.4	H488 L490 S496 L579	H488-T492 PolarHBondContact O-N 3.02Å; H488-T492 PolarHBondContact O-OG1 3.1Å; L490-T492 VanDerWaalsContact C-N 3.34Å; L490-T492 PolarHBondContact O-N 3.26Å; T492-S496 WeakPolarHBondContact O-CB 3.46Å; T492-S496 PolarHBondContact O-N 2.91Å; T492-S496 PolarHBondContact O-OG 3.05Å; T492-L579 HydrophobicContact CG2-CD2 3.92Å
493	L	97.9	Very high	95.9	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-69.5	-44.3	173.5	174.6	64.7	0	0	0	111.9	E489 L490 R491 S496 L497 L540 L542 V569 T574 L579 I586	E489-L493 WeakPolarHBondContact O-CB 3.43Å; E489-L493 PolarHBondContact O-N 3.13Å; E489-L493 VanDerWaalsContact O-N 3.15Å; L490-L493 WeakPolarHBondContact O-CA 3.05Å; L490-L493 WeakPolarHBondContact O-CB 3.37Å; L490-L493 PolarHBondContact O-N 3.41Å; R491-L493 VanDerWaalsContact C-N 3.27Å; R491-L493 PolarHBondContact O-N 3.11Å; L493-S496 PolarHBondContact O-N 3.28Å; L493-L497 VanDerWaalsContact O-CB 3.29Å; L493-L497 WeakPolarHBondContact O-CB 3.18Å; L493-L497 PolarHBondContact O-N 3.29Å; L493-L540 HydrophobicContact CD2-CD2 4.4Å; L493-L542 HydrophobicContact CD2-CD1 4.38Å; L493-V569 HydrophobicContact CD1-CG1 4.34Å; L493-V569 HydrophobicContact CD2-CB 4.08Å; L493-V569 HydrophobicContact CD2-CG1 3.87Å; L493-V569 HydrophobicContact CD2-CG2 4.17Å; L493-T574 HydrophobicContact CB-CG2 3.84Å; L493-T574 HydrophobicContact CD1-CG2 4.36Å; L493-T574 HydrophobicContact CD2-CG2 4Å; L493-T574 HydrophobicContact CG-CG2 4.29Å; L493-L579 HydrophobicContact CD1-CD1 4.21Å; L493-I586 HydrophobicContact CD1-CD1 4.21Å
494	L	98	Very high	95.7	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-46.7	-180	-69.8	177.9	0	0	0	111.6	W478 V480 L490 R491 S496 L497 Y498 P511	W478-L494 HydrophobicContact CH2-CD2 3.65Å; W478-L494 HydrophobicContact CZ2-CD2 4.27Å; V480-L494 HydrophobicContact CG2-CD2 4.19Å; L490-L494 HydrophobicContact CD1-CD1 3.85Å; L490-L494 HydrophobicContact CD1-CD2 4.31Å; L490-L494 HydrophobicContact CD1-CG 3.77Å; L490-L494 HydrophobicContact CG-CD1 3.95Å; L490-L494 HydrophobicContact CG-CG 4.29Å; L490-L494 WeakPolarHBondContact O-CG 3.29Å; L490-L494 PolarHBondContact O-N 2.68Å; R491-L494 PolarHBondContact O-N 3.07Å; L494-S496 VanDerWaalsContact C-N 3.28Å; L494-S496 PolarHBondContact O-N 2.89Å; L494-L497 CarbonylContact O-C 3.59Å; L494-L497 WeakPolarHBondContact O-CA 3.44Å; L494-L497 WeakPolarHBondContact O-CB 3.29Å; L494-L497 PolarHBondContact O-N 3.41Å; L494-Y498 HydrophobicContact CB-CE2 3.82Å; L494-Y498 WeakPolarHBondContact O-CD2 3.5Å; L494-Y498 PolarHBondContact O-N 3.17Å; L494-P511 HydrophobicContact CD1-CG 4.13Å; L494-P511 HydrophobicContact CD2-CG 4.45Å
495	D	96.9	Very high	95.6	Very high	79 Å²	79	49.8 Å²	49.8	42%	0.422	25%	0.249	S	C	.	.	H	α-helix	trans	-57.3	-42.9	176.4	-66.7	-33.1	0	0	0	111.9	R491 L497 R499	R491-D495 PolarHBondContact O-N 3.26Å; D495-L497 VanDerWaalsContact C-N 3.34Å; D495-R499 WeakPolarHBondContact O-CB 3.37Å; D495-R499 WeakPolarHBondContact O-CD 3.04Å; D495-R499 VanDerWaalsContact O-CG 3.22Å; D495-R499 WeakPolarHBondContact O-CG 3.35Å; D495-R499 PolarHBondContact O-N 3.02Å
496	S	96.8	Very high	95.6	Very high	15 Å²	15	42.5 Å²	42.5	11%	0.105	22%	0.222	C	C	.	.	H	α-helix	trans	-65.6	-37.7	175.7	-58.9	0	0	0	0	112	T492 L493 L494 A500 L579 A583	T492-S496 WeakPolarHBondContact O-CB 3.46Å; T492-S496 PolarHBondContact O-N 2.91Å; T492-S496 PolarHBondContact O-OG 3.05Å; L493-S496 PolarHBondContact O-N 3.28Å; L494-S496 VanDerWaalsContact C-N 3.28Å; L494-S496 PolarHBondContact O-N 2.89Å; S496-A500 VanDerWaalsContact O-CB 3.25Å; S496-A500 WeakPolarHBondContact O-CB 3.38Å; S496-A500 PolarHBondContact O-N 3.08Å; S496-L579 VanDerWaalsContact OG-CD2 3.24Å; S496-L579 WeakPolarHBondContact OG-CD2 3.3Å; S496-A583 WeakPolarHBondContact O-CB 3.25Å
497	L	97.2	Very high	95.7	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.3	-45.4	179.2	-175.9	68.6	0	0	0	111.9	W478 L493 L494 D495 A500 A501 I508 I586 A587 L590	W478-L497 HydrophobicContact CH2-CD2 3.99Å; L493-L497 VanDerWaalsContact O-CB 3.29Å; L493-L497 WeakPolarHBondContact O-CB 3.18Å; L493-L497 PolarHBondContact O-N 3.29Å; L494-L497 CarbonylContact O-C 3.59Å; L494-L497 WeakPolarHBondContact O-CA 3.44Å; L494-L497 WeakPolarHBondContact O-CB 3.29Å; L494-L497 PolarHBondContact O-N 3.41Å; D495-L497 VanDerWaalsContact C-N 3.34Å; L497-A500 PolarHBondContact O-N 3.01Å; L497-A501 WeakPolarHBondContact O-CB 3.45Å; L497-A501 PolarHBondContact O-N 3.49Å; L497-I508 HydrophobicContact CD2-CD1 4.38Å; L497-I508 HydrophobicContact CG-CD1 4.11Å; L497-I586 HydrophobicContact CD1-CB 4.19Å; L497-I586 HydrophobicContact CD1-CG2 3.78Å; L497-A587 HydrophobicContact CD1-CB 3.93Å; L497-L590 HydrophobicContact CD1-CD1 4.15Å; L497-L590 HydrophobicContact CD2-CD1 3.96Å
498	Y	97.1	Very high	95.8	Very high	51 Å²	51	47.7 Å²	47.7	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-49.6	176.5	-57.7	-42.1	0	0	0	111	W478 L494 A500 S502 I508 P511	W478-Y498 HydrophobicContact CZ2-CE1 4.28Å; L494-Y498 HydrophobicContact CB-CE2 3.82Å; L494-Y498 WeakPolarHBondContact O-CD2 3.5Å; L494-Y498 PolarHBondContact O-N 3.17Å; Y498-A500 PolarHBondContact O-N 3.41Å; Y498-S502 VanDerWaalsContact O-CB 3.29Å; Y498-S502 WeakPolarHBondContact O-CB 3.32Å; Y498-S502 PolarHBondContact O-N 2.87Å; Y498-S502 PolarHBondContact O-OG 3.24Å; Y498-I508 HydrophobicContact CD1-CB 4.16Å; Y498-I508 HydrophobicContact CD1-CG2 3.9Å; Y498-I508 HydrophobicContact CE1-CG2 3.85Å; Y498-P511 WeakPolarHBondContact OH-CD 3.33Å
499	R	94.9	Very high	95.8	Very high	181 Å²	181	47.4 Å²	47.4	68%	0.683	23%	0.231	S	C	*	.	H	α-helix	trans	-58.7	-48.2	177.5	-68.9	171.2	-170.2	-154	2.7	111.8	D495 G503 M580	D495-R499 WeakPolarHBondContact O-CB 3.37Å; D495-R499 WeakPolarHBondContact O-CD 3.04Å; D495-R499 VanDerWaalsContact O-CG 3.22Å; D495-R499 WeakPolarHBondContact O-CG 3.35Å; D495-R499 PolarHBondContact O-N 3.02Å; R499-G503 PolarHBondContact O-N 2.89Å; R499-M580 HydrophobicContact CB-CE 3.84Å; R499-M580 HydrophobicContact CB-SD 4.41Å
500	A	94.5	Very high	95.8	Very high	9 Å²	9	50.9 Å²	50.9	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-69.7	-39.1	-178.3	0	0	0	0	0	113.6	S496 L497 Y498 M504 M580 A583	S496-A500 VanDerWaalsContact O-CB 3.25Å; S496-A500 WeakPolarHBondContact O-CB 3.38Å; S496-A500 PolarHBondContact O-N 3.08Å; L497-A500 PolarHBondContact O-N 3.01Å; Y498-A500 PolarHBondContact O-N 3.41Å; A500-M504 WeakPolarHBondContact O-CE 3.47Å; A500-M580 HydrophobicContact CB-CE 4.07Å; A500-A583 HydrophobicContact CB-CB 4.03Å
501	A	95.4	Very high	95.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.7	-40.9	178.9	0	0	0	0	0	111.9	L497 M504 G505 L506 I508 A587	L497-A501 WeakPolarHBondContact O-CB 3.45Å; L497-A501 PolarHBondContact O-N 3.49Å; A501-M504 CarbonylContact O-C 3.54Å; A501-M504 PolarHBondContact O-N 3.23Å; A501-G505 PolarHBondContact O-N 2.91Å; A501-L506 CarbonylContact C-O 3.09Å; A501-L506 VanDerWaalsContact C-O 3.26Å; A501-L506 HydrophobicContact CB-CB 4.16Å; A501-L506 HydrophobicContact CB-CD2 4.27Å; A501-L506 HydrophobicContact CB-CG 4.34Å; A501-L506 WeakPolarHBondContact CB-O 3.32Å; A501-L506 PolarHBondContact O-N 3.2Å; A501-I508 HydrophobicContact CB-CD1 3.39Å; A501-I508 HydrophobicContact CB-CG1 3.79Å; A501-A587 HydrophobicContact CB-CB 3.8Å
502	S	92.2	Very high	95.8	Very high	72 Å²	72	48.8 Å²	48.8	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-43.2	-178	-57.8	0	0	0	0	112.3	Y498 M504 G505	Y498-S502 VanDerWaalsContact O-CB 3.29Å; Y498-S502 WeakPolarHBondContact O-CB 3.32Å; Y498-S502 PolarHBondContact O-N 2.87Å; Y498-S502 PolarHBondContact O-OG 3.24Å; S502-M504 VanDerWaalsContact C-N 3.26Å; S502-M504 PolarHBondContact O-N 2.98Å; S502-G505 PolarHBondContact O-N 3.01Å
503	G	88.6	Confident	95.8	Very high	45 Å²	45	50.4 Å²	50.4	46%	0.464	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-36.6	174.7	0	0	0	0	0	113	R499 G505	R499-G503 PolarHBondContact O-N 2.89Å; G503-G505 VanDerWaalsContact C-N 3.28Å; G503-G505 PolarHBondContact O-N 3.44Å
504	M	93.9	Very high	95.7	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	6	175.8	-65.1	-171.5	-60.6	0	0	114.4	F462 R466 M467 A500 A501 S502 L506 T584 A587 I588	F462-M504 HydrophobicContact CB-SD 4.16Å; F462-M504 HydrophobicContact CD1-SD 4.04Å; F462-M504 WeakPolarHBondContact O-CG 3.38Å; R466-M504 WeakPolarHBondContact CA-O 3.4Å; M467-M504 HydrophobicContact CE-CB 3.94Å; M467-M504 HydrophobicContact CE-CE 4.26Å; M467-M504 HydrophobicContact CG-CB 4.2Å; M467-M504 PolarHBondContact N-O 3.05Å; M467-M504 HydrophobicContact SD-SD 4.46Å; A500-M504 WeakPolarHBondContact O-CE 3.47Å; A501-M504 CarbonylContact O-C 3.54Å; A501-M504 PolarHBondContact O-N 3.23Å; S502-M504 VanDerWaalsContact C-N 3.26Å; S502-M504 PolarHBondContact O-N 2.98Å; M504-L506 VanDerWaalsContact C-N 3.35Å; M504-L506 PolarHBondContact O-N 3.2Å; M504-T584 HydrophobicContact CE-CG2 3.95Å; M504-T584 WeakPolarHBondContact CE-O 3.34Å; M504-T584 HydrophobicContact SD-CG2 3.53Å; M504-T584 VanDerWaalsContact SD-CG2 3.53Å; M504-A587 HydrophobicContact CE-CB 3.45Å; M504-A587 VanDerWaalsContact CE-CB 3.45Å; M504-I588 HydrophobicContact CE-CG1 3.92Å; M504-I588 HydrophobicContact SD-CD1 3.99Å; M504-I588 HydrophobicContact SD-CG1 3.66Å
505	G	94.3	Very high	95.7	Very high	26 Å²	26	55.3 Å²	55.3	27%	0.268	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	4.4	178.9	0	0	0	0	0	115.9	T470 A501 S502 G503 R507	T470-G505 PolarHBondContact OG1-O 3.24Å; A501-G505 PolarHBondContact O-N 2.91Å; S502-G505 PolarHBondContact O-N 3.01Å; G503-G505 VanDerWaalsContact C-N 3.28Å; G503-G505 PolarHBondContact O-N 3.44Å; G505-R507 PolarHBondContact O-N 3.44Å
506	L	96.3	Very high	95.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.268	C	S	.	.			trans	-88.5	99.5	171.8	177.2	66.4	0	0	0	109.6	M467 T470 P471 A501 M504 I508 N591	M467-L506 HydrophobicContact CE-CB 3.61Å; M467-L506 HydrophobicContact CE-CD2 4.32Å; T470-L506 HydrophobicContact CG2-CB 4.31Å; P471-L506 HydrophobicContact CG-CD1 3.97Å; A501-L506 CarbonylContact C-O 3.09Å; A501-L506 VanDerWaalsContact C-O 3.26Å; A501-L506 HydrophobicContact CB-CB 4.16Å; A501-L506 HydrophobicContact CB-CD2 4.27Å; A501-L506 HydrophobicContact CB-CG 4.34Å; A501-L506 WeakPolarHBondContact CB-O 3.32Å; A501-L506 PolarHBondContact O-N 3.2Å; M504-L506 VanDerWaalsContact C-N 3.35Å; M504-L506 PolarHBondContact O-N 3.2Å; L506-I508 HydrophobicContact CD2-CD1 4.02Å; L506-I508 HydrophobicContact CD2-CG1 4.17Å; L506-I508 HydrophobicContact CG-CD1 4.36Å; L506-I508 HydrophobicContact CG-CG1 3.96Å; L506-I508 PolarHBondContact O-N 3.38Å; L506-N591 HydrophobicContact CD2-CB 4.31Å
507	R	96.2	Very high	95.6	Very high	126 Å²	126	61.7 Å²	61.7	48%	0.475	30%	0.302	S	S	.	.			trans	-62.6	125.4	169.4	-177.5	171.2	73.4	-163.5	2.9	109.4	S472 D473 G474 L475 G505	S472-R507 PolarHBondContact O-NH2 2.76Å; S472-R507 VanDerWaalsContact O-NH2 3.11Å; D473-R507 PolarHBondContact O-NE 2.82Å; D473-R507 VanDerWaalsContact O-NE 3.08Å; D473-R507 PolarHBondContact O-NH2 3.47Å; G474-R507 CarbonylContact C-O 3.59Å; G474-R507 WeakPolarHBondContact CA-O 3.42Å; L475-R507 PolarHBondContact N-O 3.29Å; G505-R507 PolarHBondContact O-N 3.44Å
508	I	97	Very high	95.4	Very high	19 Å²	19	63.3 Å²	63.3	10%	0.097	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-122	128.9	172.6	-58.4	-174	0	0	0	107.7	L475 W478 L497 Y498 A501 L506 L590	L475-I508 HydrophobicContact CB-CB 4.47Å; L475-I508 HydrophobicContact CB-CG1 4.11Å; L475-I508 HydrophobicContact CB-CG2 4.33Å; L475-I508 HydrophobicContact CD2-CG2 4.34Å; W478-I508 HydrophobicContact CZ2-CG2 3.54Å; L497-I508 HydrophobicContact CD2-CD1 4.38Å; L497-I508 HydrophobicContact CG-CD1 4.11Å; Y498-I508 HydrophobicContact CD1-CB 4.16Å; Y498-I508 HydrophobicContact CD1-CG2 3.9Å; Y498-I508 HydrophobicContact CE1-CG2 3.85Å; A501-I508 HydrophobicContact CB-CD1 3.39Å; A501-I508 HydrophobicContact CB-CG1 3.79Å; L506-I508 HydrophobicContact CD2-CD1 4.02Å; L506-I508 HydrophobicContact CD2-CG1 4.17Å; L506-I508 HydrophobicContact CG-CD1 4.36Å; L506-I508 HydrophobicContact CG-CG1 3.96Å; L506-I508 PolarHBondContact O-N 3.38Å; I508-L590 HydrophobicContact CD1-CD1 4.28Å
509	R	96.1	Very high	95.2	Very high	136 Å²	136	62.7 Å²	62.7	51%	0.513	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-90.2	168.2	171.2	-65	-172	176.6	164.4	-2.8	110.5	L475 W478	L475-R509 PolarHBondContact O-N 3.43Å; W478-R509 PolarHBondContact NE1-O 3.37Å
510	S	96.8	Very high	95.3	Very high	97 Å²	97	61.7 Å²	61.7	68%	0.678	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-58.6	136.4	172.9	-53.1	0	0	0	0	111.4
511	P	97.5	Very high	95.4	Very high	17 Å²	17	62.7 Å²	62.7	11%	0.11	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-77.6	164.9	177.3	31.1	-34.3	0	0	0	112.6	W478 V480 L494 Y498 E513	W478-P511 HydrophobicContact CD2-CB 3.85Å; W478-P511 HydrophobicContact CE3-CB 4.23Å; W478-P511 HydrophobicContact CG-CB 4.32Å; W478-P511 HydrophobicContact CH2-CB 4.25Å; W478-P511 HydrophobicContact CH2-CG 4.25Å; W478-P511 HydrophobicContact CZ2-CB 3.85Å; W478-P511 HydrophobicContact CZ2-CG 3.92Å; W478-P511 HydrophobicContact CZ3-CB 4.42Å; W478-P511 WeakPolarHBondContact O-CA 3.49Å; V480-P511 HydrophobicContact CB-CB 4.5Å; V480-P511 HydrophobicContact CB-CG 4.46Å; V480-P511 HydrophobicContact CG2-CB 3.7Å; V480-P511 HydrophobicContact CG2-CG 3.63Å; L494-P511 HydrophobicContact CD1-CG 4.13Å; L494-P511 HydrophobicContact CD2-CG 4.45Å; Y498-P511 WeakPolarHBondContact OH-CD 3.33Å; P511-E513 PolarHBondContact O-N 3.48Å
512	Q	97.5	Very high	95.4	Very high	93 Å²	93	64.6 Å²	64.6	44%	0.435	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	116.5	157.2	-168.6	176.1	7.2	0	0	109.3	W478 A479 V480 F514 S534	W478-Q512 PolarHBondContact O-N 2.89Å; A479-Q512 CarbonylContact C-O 3.57Å; A479-Q512 VanDerWaalsContact CA-O 3.26Å; A479-Q512 WeakPolarHBondContact CA-O 3.46Å; A479-Q512 HydrophobicContact CB-CB 4.16Å; A479-Q512 WeakPolarHBondContact CB-O 3.49Å; V480-Q512 PolarHBondContact N-O 3.35Å; Q512-F514 HydrophobicContact CB-CE2 4.23Å; Q512-F514 HydrophobicContact CG-CD2 4.14Å; Q512-F514 HydrophobicContact CG-CE2 3.57Å; Q512-F514 HydrophobicContact CG-CZ 4.28Å; Q512-S534 PolarHBondContact OE1-OG 2.63Å
513	E	96.6	Very high	95.7	Very high	87 Å²	87	61.9 Å²	61.9	41%	0.407	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118	178.2	-68.9	-169.1	-173.9	0	0	111.6	P511 I515	P511-E513 PolarHBondContact O-N 3.48Å; E513-I515 HydrophobicContact CB-CD1 4.39Å; E513-I515 HydrophobicContact CB-CG1 4.46Å
514	F	97.1	Very high	96.2	Very high	44 Å²	44	59.8 Å²	59.8	19%	0.193	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	87.3	171.4	-78.4	-93	0	0	0	109.4	A479 V480 I481 A482 Q512 D530 C531	A479-F514 HydrophobicContact CB-CD2 4.21Å; A479-F514 HydrophobicContact CB-CE2 4.3Å; V480-F514 PolarHBondContact O-N 2.83Å; I481-F514 WeakPolarHBondContact CA-O 3.1Å; I481-F514 HydrophobicContact CG1-CB 3.91Å; A482-F514 PolarHBondContact N-O 2.89Å; Q512-F514 HydrophobicContact CB-CE2 4.23Å; Q512-F514 HydrophobicContact CG-CD2 4.14Å; Q512-F514 HydrophobicContact CG-CE2 3.57Å; Q512-F514 HydrophobicContact CG-CZ 4.28Å; F514-D530 HydrophobicContact CE1-CB 4.45Å; F514-C531 HydrophobicContact CD1-CB 4.48Å; F514-C531 HydrophobicContact CD2-CB 3.9Å; F514-C531 HydrophobicContact CE1-CB 4.13Å; F514-C531 HydrophobicContact CE2-CB 3.48Å; F514-C531 VanDerWaalsContact CE2-CB 3.48Å; F514-C531 VanDerWaalsContact CE2-SG 3.59Å; F514-C531 HydrophobicContact CG-CB 4.38Å; F514-C531 VanDerWaalsContact CZ-CA 3.48Å; F514-C531 HydrophobicContact CZ-CB 3.63Å
515	I	97.5	Very high	96.3	Very high	63 Å²	63	60.6 Å²	60.6	32%	0.323	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	121.2	178.7	-55.9	-55.7	0	0	0	109.8	A482 Q484 L490 E513	A482-I515 WeakPolarHBondContact O-CA 3.49Å; Q484-I515 VanDerWaalsContact CA-CG2 3.48Å; Q484-I515 HydrophobicContact CB-CG2 3.62Å; Q484-I515 HydrophobicContact CG-CG2 4.02Å; L490-I515 HydrophobicContact CD2-CD1 4.41Å; E513-I515 HydrophobicContact CB-CD1 4.39Å; E513-I515 HydrophobicContact CB-CG1 4.46Å
516	I	97.3	Very high	96.5	Very high	17 Å²	17	66.5 Å²	66.5	9%	0.087	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	144.7	-179.5	57.5	175.6	0	0	0	111.8	I481 A482 P483 Q484 D518 Y524 A527	I481-I516 HydrophobicContact CG2-CD1 4.03Å; I481-I516 HydrophobicContact CG2-CG1 4.47Å; I481-I516 HydrophobicContact CG2-CG2 4.31Å; A482-I516 WeakPolarHBondContact O-CG1 3.21Å; A482-I516 PolarHBondContact O-N 2.87Å; P483-I516 CarbonylContact C-O 3.52Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.46Å; Q484-I516 PolarHBondContact N-O 2.9Å; I516-D518 VanDerWaalsContact CD1-O 3.25Å; I516-D518 WeakPolarHBondContact CD1-O 3.49Å; I516-D518 WeakPolarHBondContact CG1-O 3.34Å; I516-Y524 HydrophobicContact CD1-CD1 4.04Å; I516-Y524 HydrophobicContact CD1-CD2 3.82Å; I516-Y524 HydrophobicContact CD1-CE1 4.03Å; I516-Y524 HydrophobicContact CD1-CE2 3.78Å; I516-Y524 HydrophobicContact CD1-CG 3.94Å; I516-A527 HydrophobicContact CG2-CB 3.79Å
517	Y	94.2	Very high	96.6	Very high	211 Å²	211	66.8 Å²	66.8	83%	0.827	31%	0.313	S	S	*	.	S	Bend	trans	-70.8	-31.1	-176.4	-58.9	-68.5	0	0	0	114
518	D	92.9	Very high	96.6	Very high	34 Å²	34	61 Å²	61	18%	0.182	29%	0.291	C	S	.	.			trans	-130.9	173.9	-178.9	73.1	58.4	0	0	0	112.1	I516 R520 T523	I516-D518 VanDerWaalsContact CD1-O 3.25Å; I516-D518 WeakPolarHBondContact CD1-O 3.49Å; I516-D518 WeakPolarHBondContact CG1-O 3.34Å; D518-R520 VanDerWaalsContact CG-NE 3.28Å; D518-R520 WeakPolarHBondContact OD1-CB 3.26Å; D518-R520 WeakPolarHBondContact OD1-CG 3.42Å; D518-R520 PolarHBondContact OD1-N 2.8Å; D518-R520 IonicContact OD1-NE 3.35Å; D518-R520 PolarHBondContact OD1-NE 2.72Å; D518-R520 IonicContact OD2-CZ 3.18Å; D518-R520 IonicContact OD2-NE 2.85Å; D518-R520 PolarHBondContact OD2-NE 3.05Å; D518-R520 IonicContact OD2-NH2 2.69Å; D518-R520 PolarHBondContact OD2-NH2 2.9Å; D518-T523 WeakPolarHBondContact OD1-CB 3.45Å; D518-T523 VanDerWaalsContact OD1-CG2 3.23Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.45Å; D518-T523 PolarHBondContact OD1-OG1 3.22Å; D518-T523 WeakPolarHBondContact OD2-CG2 3.29Å
519	D	92.9	Very high	96.6	Very high	39 Å²	39	61.9 Å²	61.9	21%	0.209	30%	0.296	C	S	.	.			trans	-109.2	19.1	-179.2	68.4	-17.4	0	0	0	114.3	P483 R485 Y524 P544 R550	P483-D519 HydrophobicContact CG-CB 4.08Å; R485-D519 IonicContact CZ-OD2 3.66Å; R485-D519 IonicContact NH1-OD2 3.73Å; R485-D519 VanDerWaalsContact NH2-CG 3.33Å; R485-D519 IonicContact NH2-OD2 2.73Å; R485-D519 PolarHBondContact NH2-OD2 2.92Å; D519-Y524 HydrophobicContact CB-CE2 4.29Å; D519-P544 HydrophobicContact CB-CG 3.87Å; D519-P544 WeakPolarHBondContact OD2-CG 3.4Å; D519-R550 VanDerWaalsContact O-CZ 3.23Å; D519-R550 PolarHBondContact O-NE 2.88Å; D519-R550 PolarHBondContact O-NH2 3.48Å; D519-R550 IonicContact OD2-NH2 2.98Å; D519-R550 PolarHBondContact OD2-NH2 3.49Å
520	R	95.9	Very high	96.5	Very high	159 Å²	159	58.8 Å²	58.8	60%	0.6	29%	0.29	S	S	*	.			trans	-67.6	151.5	179.3	-62.6	-177.7	-73.3	-174.8	-9.2	111.3	D518 G522 T523 Y524	D518-R520 VanDerWaalsContact CG-NE 3.28Å; D518-R520 WeakPolarHBondContact OD1-CB 3.26Å; D518-R520 WeakPolarHBondContact OD1-CG 3.42Å; D518-R520 PolarHBondContact OD1-N 2.8Å; D518-R520 IonicContact OD1-NE 3.35Å; D518-R520 PolarHBondContact OD1-NE 2.72Å; D518-R520 IonicContact OD2-CZ 3.18Å; D518-R520 IonicContact OD2-NE 2.85Å; D518-R520 PolarHBondContact OD2-NE 3.05Å; D518-R520 IonicContact OD2-NH2 2.69Å; D518-R520 PolarHBondContact OD2-NH2 2.9Å; R520-G522 PolarHBondContact O-N 3.11Å; R520-T523 PolarHBondContact N-OG1 2.76Å; R520-T523 PolarHBondContact O-N 2.88Å; R520-T523 VanDerWaalsContact O-N 3.17Å; R520-T523 PolarHBondContact O-OG1 2.72Å; R520-Y524 WeakPolarHBondContact O-CD2 3.37Å
521	T	96.7	Very high	96.4	Very high	30 Å²	30	54.2 Å²	54.2	18%	0.184	26%	0.258	C	S	.	.	H	α-helix	trans	-54.4	-40.8	178.1	-55.4	0	0	0	0	112.1	T523 V525 E549 S553	T521-T523 PolarHBondContact O-N 3.38Å; T521-V525 VanDerWaalsContact O-CG2 3.28Å; T521-V525 WeakPolarHBondContact O-CG2 3.42Å; T521-V525 PolarHBondContact O-N 2.82Å; T521-E549 WeakPolarHBondContact CB-OE1 3.39Å; T521-E549 PolarHBondContact OG1-OE1 3.3Å; T521-S553 VanDerWaalsContact CG2-OG 3.31Å; T521-S553 WeakPolarHBondContact CG2-OG 3.24Å
522	G	97.1	Very high	96.2	Very high	41 Å²	41	54.6 Å²	54.6	42%	0.423	26%	0.26	S	S	.	.	H	α-helix	trans	-73	-12	-179	0	0	0	0	0	117	R520 R526	R520-G522 PolarHBondContact O-N 3.11Å; G522-R526 WeakPolarHBondContact O-CG 3.38Å; G522-R526 PolarHBondContact O-N 3.39Å; G522-R526 PolarHBondContact O-NE 3.27Å
523	T	97.3	Very high	96	Very high	15 Å²	15	59.4 Å²	59.4	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-87	-43.6	172.7	38.5	0	0	0	0	111.4	D518 R520 T521 V525 R526 A527	D518-T523 WeakPolarHBondContact OD1-CB 3.45Å; D518-T523 VanDerWaalsContact OD1-CG2 3.23Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.45Å; D518-T523 PolarHBondContact OD1-OG1 3.22Å; D518-T523 WeakPolarHBondContact OD2-CG2 3.29Å; R520-T523 PolarHBondContact N-OG1 2.76Å; R520-T523 PolarHBondContact O-N 2.88Å; R520-T523 VanDerWaalsContact O-N 3.17Å; R520-T523 PolarHBondContact O-OG1 2.72Å; T521-T523 PolarHBondContact O-N 3.38Å; T523-V525 VanDerWaalsContact C-N 3.28Å; T523-V525 PolarHBondContact O-N 2.83Å; T523-R526 PolarHBondContact O-N 2.84Å; T523-A527 WeakPolarHBondContact O-CB 3.45Å; T523-A527 PolarHBondContact O-N 3.38Å
524	Y	98.3	Very high	95.8	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57	-42.6	169.6	-72.5	-91.4	0	0	0	111.9	I481 P483 I516 D519 R520 M528 C541 L542 V543 P544 R550 I554	I481-Y524 HydrophobicContact CB-CD1 4.49Å; I481-Y524 HydrophobicContact CG2-CD1 3.7Å; I481-Y524 HydrophobicContact CG2-CE1 4.15Å; I481-Y524 HydrophobicContact CG2-CG 4.5Å; P483-Y524 WeakPolarHBondContact CD-OH 3.48Å; P483-Y524 VanDerWaalsContact CG-OH 3.29Å; P483-Y524 WeakPolarHBondContact CG-OH 3.42Å; I516-Y524 HydrophobicContact CD1-CD1 4.04Å; I516-Y524 HydrophobicContact CD1-CD2 3.82Å; I516-Y524 HydrophobicContact CD1-CE1 4.03Å; I516-Y524 HydrophobicContact CD1-CE2 3.78Å; I516-Y524 HydrophobicContact CD1-CG 3.94Å; D519-Y524 HydrophobicContact CB-CE2 4.29Å; R520-Y524 WeakPolarHBondContact O-CD2 3.37Å; Y524-M528 WeakPolarHBondContact O-CB 3.28Å; Y524-M528 VanDerWaalsContact O-CG 3.3Å; Y524-M528 WeakPolarHBondContact O-CG 3.38Å; Y524-M528 PolarHBondContact O-N 2.8Å; Y524-C541 HydrophobicContact CD1-CB 4.26Å; Y524-C541 HydrophobicContact CE1-CB 4.32Å; Y524-L542 PolarHBondContact OH-O 3.49Å; Y524-L542 VanDerWaalsContact OH-O 3.05Å; Y524-V543 HydrophobicContact CE1-CG1 4.06Å; Y524-P544 WeakPolarHBondContact OH-CD 3.05Å; Y524-R550 HydrophobicContact CD2-CG 4.23Å; Y524-R550 HydrophobicContact CE2-CG 4.48Å; Y524-I554 HydrophobicContact CD1-CD1 3.94Å; Y524-I554 HydrophobicContact CG-CD1 4.07Å
525	V	97.7	Very high	95.8	Very high	19 Å²	19	60.1 Å²	60.1	12%	0.115	29%	0.285	C	S	.	.	H	α-helix	trans	-61.6	-49.3	179.5	167.1	0	0	0	0	111.7	T521 T523 M528 D529 R557	T521-V525 VanDerWaalsContact O-CG2 3.28Å; T521-V525 WeakPolarHBondContact O-CG2 3.42Å; T521-V525 PolarHBondContact O-N 2.82Å; T523-V525 VanDerWaalsContact C-N 3.28Å; T523-V525 PolarHBondContact O-N 2.83Å; V525-M528 WeakPolarHBondContact O-CB 3.27Å; V525-M528 PolarHBondContact O-N 3.09Å; V525-D529 PolarHBondContact O-N 3.16Å; V525-R557 HydrophobicContact CG1-CG 3.93Å; V525-R557 VanDerWaalsContact CG1-NE 3.35Å; V525-R557 HydrophobicContact CG2-CG 4.06Å
526	R	97.4	Very high	95.8	Very high	149 Å²	149	57.3 Å²	57.3	56%	0.562	27%	0.271	S	S	*	.	H	α-helix	trans	-63	-47.3	177.4	-74.7	-178.5	-69.3	161.6	1	111.8	G522 T523 M528 D529 D530	G522-R526 WeakPolarHBondContact O-CG 3.38Å; G522-R526 PolarHBondContact O-N 3.39Å; G522-R526 PolarHBondContact O-NE 3.27Å; T523-R526 PolarHBondContact O-N 2.84Å; R526-M528 PolarHBondContact O-N 2.96Å; R526-D529 PolarHBondContact O-N 2.98Å; R526-D530 PolarHBondContact O-N 2.94Å; R526-D530 VanDerWaalsContact O-OD2 3.12Å
527	A	97.6	Very high	95.8	Very high	7 Å²	7	59.7 Å²	59.7	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-32.9	176	0	0	0	0	0	112.7	I481 I516 T523 C531	I481-A527 HydrophobicContact CD1-CB 4.04Å; I481-A527 HydrophobicContact CG1-CB 4.27Å; I481-A527 HydrophobicContact CG2-CB 3.94Å; I516-A527 HydrophobicContact CG2-CB 3.79Å; T523-A527 WeakPolarHBondContact O-CB 3.45Å; T523-A527 PolarHBondContact O-N 3.38Å; A527-C531 WeakPolarHBondContact O-CB 3.17Å; A527-C531 PolarHBondContact O-N 2.93Å
528	M	97.6	Very high	96	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-46.9	170.4	-74.6	-178.9	67.9	0	0	112.3	I481 Y524 V525 R526 D530 C531 V532 I554 R557 T566	I481-M528 HydrophobicContact CD1-CB 4.22Å; I481-M528 HydrophobicContact CD1-CG 3.36Å; Y524-M528 WeakPolarHBondContact O-CB 3.28Å; Y524-M528 VanDerWaalsContact O-CG 3.3Å; Y524-M528 WeakPolarHBondContact O-CG 3.38Å; Y524-M528 PolarHBondContact O-N 2.8Å; V525-M528 WeakPolarHBondContact O-CB 3.27Å; V525-M528 PolarHBondContact O-N 3.09Å; R526-M528 PolarHBondContact O-N 2.96Å; M528-D530 VanDerWaalsContact C-N 3.33Å; M528-D530 PolarHBondContact O-N 3.13Å; M528-C531 PolarHBondContact O-N 3.06Å; M528-V532 VanDerWaalsContact O-CG2 3.23Å; M528-V532 WeakPolarHBondContact O-CG2 3.3Å; M528-V532 PolarHBondContact O-N 3.06Å; M528-I554 HydrophobicContact CE-CG2 4.48Å; M528-I554 WeakPolarHBondContact CE-O 3.47Å; M528-I554 HydrophobicContact SD-CB 4.22Å; M528-I554 HydrophobicContact SD-CG1 4.22Å; M528-I554 HydrophobicContact SD-CG2 3.87Å; M528-R557 HydrophobicContact CE-CB 4.19Å; M528-R557 HydrophobicContact SD-CB 4.47Å; M528-T566 HydrophobicContact CE-CG2 3.85Å
529	D	95.8	Very high	96.3	Very high	39 Å²	39	48 Å²	48	21%	0.209	23%	0.233	C	C	.	.	H	α-helix	trans	-66.5	-30.9	-179.8	-80.4	-53.1	0	0	0	113.3	V525 R526 R557 R562	V525-D529 PolarHBondContact O-N 3.16Å; R526-D529 PolarHBondContact O-N 2.98Å; D529-R557 IonicContact OD2-NE 3.64Å; D529-R562 IonicContact OD1-CZ 3.9Å; D529-R562 IonicContact OD1-NE 2.7Å; D529-R562 PolarHBondContact OD1-NE 2.96Å; D529-R562 IonicContact OD1-NH2 3.11Å; D529-R562 PolarHBondContact OD1-NH2 2.96Å
530	D	95.2	Very high	96.6	Very high	71 Å²	71	46.2 Å²	46.2	38%	0.38	22%	0.223	S	C	.	.	H	α-helix	trans	-73.8	-44.1	169.9	-65.3	-48.7	0	0	0	111.3	F514 R526 M528 V532 R533	F514-D530 HydrophobicContact CE1-CB 4.45Å; R526-D530 PolarHBondContact O-N 2.94Å; R526-D530 VanDerWaalsContact O-OD2 3.12Å; M528-D530 VanDerWaalsContact C-N 3.33Å; M528-D530 PolarHBondContact O-N 3.13Å; D530-V532 PolarHBondContact O-N 2.99Å; D530-R533 WeakPolarHBondContact O-CB 3.32Å; D530-R533 WeakPolarHBondContact O-CG 3.47Å; D530-R533 PolarHBondContact O-N 3.05Å; D530-R533 IonicContact OD1-CZ 3.24Å; D530-R533 VanDerWaalsContact OD1-CZ 3.24Å; D530-R533 IonicContact OD1-NH1 3.48Å; D530-R533 PolarHBondContact OD1-NH1 2.72Å; D530-R533 IonicContact OD1-NH2 2.65Å; D530-R533 PolarHBondContact OD1-NH2 3.05Å
531	C	94	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-34.2	179.3	173.2	0	0	0	0	114	A479 F514 A527 M528 R533 S534 P536 I539	A479-C531 WeakPolarHBondContact CB-SG 3.34Å; F514-C531 HydrophobicContact CD1-CB 4.48Å; F514-C531 HydrophobicContact CD2-CB 3.9Å; F514-C531 HydrophobicContact CE1-CB 4.13Å; F514-C531 HydrophobicContact CE2-CB 3.48Å; F514-C531 VanDerWaalsContact CE2-CB 3.48Å; F514-C531 VanDerWaalsContact CE2-SG 3.59Å; F514-C531 HydrophobicContact CG-CB 4.38Å; F514-C531 VanDerWaalsContact CZ-CA 3.48Å; F514-C531 HydrophobicContact CZ-CB 3.63Å; A527-C531 WeakPolarHBondContact O-CB 3.17Å; A527-C531 PolarHBondContact O-N 2.93Å; M528-C531 PolarHBondContact O-N 3.06Å; C531-R533 PolarHBondContact O-N 2.91Å; C531-R533 VanDerWaalsContact O-N 3.12Å; C531-S534 PolarHBondContact O-N 2.97Å; C531-S534 VanDerWaalsContact O-N 3.15Å; C531-S534 PolarHBondContact O-OG 3.39Å; C531-S534 VanDerWaalsContact O-OG 3.07Å; C531-P536 WeakPolarHBondContact O-CD 3.27Å; C531-I539 HydrophobicContact CB-CD1 4.42Å
532	V	94.1	Very high	96.8	Very high	25 Å²	25	37.2 Å²	37.2	15%	0.152	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-62.6	-20.4	179.8	168.2	0	0	0	0	111.9	M528 D530 S534 D535 I539 R562 V564	M528-V532 VanDerWaalsContact O-CG2 3.23Å; M528-V532 WeakPolarHBondContact O-CG2 3.3Å; M528-V532 PolarHBondContact O-N 3.06Å; D530-V532 PolarHBondContact O-N 2.99Å; V532-S534 PolarHBondContact O-N 3.16Å; V532-D535 PolarHBondContact O-N 3.08Å; V532-I539 HydrophobicContact CG2-CD1 4.02Å; V532-R562 HydrophobicContact CG2-CG 4.37Å; V532-V564 HydrophobicContact CG1-CG2 4.45Å; V532-V564 HydrophobicContact CG2-CG2 4.09Å
533	R	92.9	Very high	96.8	Very high	194 Å²	194	35.7 Å²	35.7	73%	0.732	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-65.6	-14.5	175.9	-54.8	-178.4	-164.3	152.8	14.9	114.5	D530 C531	D530-R533 WeakPolarHBondContact O-CB 3.32Å; D530-R533 WeakPolarHBondContact O-CG 3.47Å; D530-R533 PolarHBondContact O-N 3.05Å; D530-R533 IonicContact OD1-CZ 3.24Å; D530-R533 VanDerWaalsContact OD1-CZ 3.24Å; D530-R533 IonicContact OD1-NH1 3.48Å; D530-R533 PolarHBondContact OD1-NH1 2.72Å; D530-R533 IonicContact OD1-NH2 2.65Å; D530-R533 PolarHBondContact OD1-NH2 3.05Å; C531-R533 PolarHBondContact O-N 2.91Å; C531-R533 VanDerWaalsContact O-N 3.12Å
534	S	93.3	Very high	96.7	Very high	38 Å²	38	36.1 Å²	36.1	27%	0.266	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-95.8	12.6	170.9	64.6	0	0	0	0	113.4	R477 Q512 C531 V532 P536	R477-S534 WeakPolarHBondContact CD-O 3.5Å; R477-S534 PolarHBondContact NE-O 3.35Å; Q512-S534 PolarHBondContact OE1-OG 2.63Å; C531-S534 PolarHBondContact O-N 2.97Å; C531-S534 VanDerWaalsContact O-N 3.15Å; C531-S534 PolarHBondContact O-OG 3.39Å; C531-S534 VanDerWaalsContact O-OG 3.07Å; V532-S534 PolarHBondContact O-N 3.16Å; S534-P536 VanDerWaalsContact C-CD 3.49Å
535	D	96	Very high	96.5	Very high	108 Å²	108	40.2 Å²	40.2	58%	0.578	19%	0.193	S	C	*	.			trans	43.8	53.5	-177.9	-73	-30.6	0	0	0	114.2	R477 V532 K537	R477-D535 VanDerWaalsContact CZ-O 3.23Å; R477-D535 PolarHBondContact NE-O 3.05Å; R477-D535 PolarHBondContact NH2-O 3Å; V532-D535 PolarHBondContact O-N 3.08Å; D535-K537 PolarHBondContact O-N 3.37Å
536	P	97.4	Very high	96.2	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.032	23%	0.226	C	C	.	.			trans	-64.1	132.2	-178	27.7	-35.9	0	0	0	111.6	C531 S534 L538 I539 V564	C531-P536 WeakPolarHBondContact O-CD 3.27Å; S534-P536 VanDerWaalsContact C-CD 3.49Å; P536-L538 PolarHBondContact O-N 3.33Å; P536-I539 HydrophobicContact CB-CG1 4.16Å; P536-I539 HydrophobicContact CG-CD1 3.89Å; P536-I539 HydrophobicContact CG-CG1 3.7Å; P536-V564 HydrophobicContact CG-CG1 4.35Å
537	K	97.6	Very high	96	Very high	66 Å²	66	42 Å²	42	29%	0.287	21%	0.214	S	C	.	.	S	Bend	trans	-62.1	-23.9	174.5	-65.1	-176.5	-178	165.3	0	111.8	D473 L475 D476 R477 D535 L594	D473-K537 IonicContact OD2-NZ 3.66Å; D473-K537 PolarHBondContact OD2-NZ 2.82Å; L475-K537 HydrophobicContact CD1-CB 4.17Å; D476-K537 WeakPolarHBondContact OD1-CD 3.33Å; D476-K537 WeakPolarHBondContact OD1-CE 3.41Å; D476-K537 IonicContact OD1-NZ 3.77Å; D476-K537 PolarHBondContact OD1-NZ 2.95Å; D476-K537 IonicContact OD2-NZ 2.74Å; D476-K537 PolarHBondContact OD2-NZ 3.43Å; R477-K537 WeakPolarHBondContact O-CB 3.16Å; R477-K537 PolarHBondContact O-N 2.91Å; D535-K537 PolarHBondContact O-N 3.37Å; K537-L594 HydrophobicContact CB-CD2 3.89Å
538	L	98.5	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.			trans	-157.7	150.3	174.2	-173.2	136.4	0	0	0	111.5	L475 W478 A479 P536 L540 P565 Q567 L590 K593 L594	L475-L538 HydrophobicContact CD1-CB 4.2Å; W478-L538 WeakPolarHBondContact CA-O 3.44Å; W478-L538 VanDerWaalsContact CB-O 3.32Å; W478-L538 WeakPolarHBondContact CB-O 3.12Å; W478-L538 HydrophobicContact CE3-CD2 4.21Å; A479-L538 PolarHBondContact N-O 3.35Å; A479-L538 VanDerWaalsContact N-O 3.17Å; P536-L538 PolarHBondContact O-N 3.33Å; L538-L540 HydrophobicContact CD2-CB 4.42Å; L538-P565 WeakPolarHBondContact CA-O 3.43Å; L538-P565 HydrophobicContact CD1-CB 4.31Å; L538-Q567 HydrophobicContact CD2-CB 4.3Å; L538-L590 HydrophobicContact CD1-CB 4.5Å; L538-L590 HydrophobicContact CD1-CD2 3.66Å; L538-L590 HydrophobicContact CD2-CD2 3.79Å; L538-L590 HydrophobicContact CG-CD2 4.4Å; L538-K593 HydrophobicContact CD1-CB 3.9Å; L538-K593 HydrophobicContact CD1-CD 4.32Å; L538-L594 HydrophobicContact CB-CD2 4.43Å
539	I	98.7	Very high	95.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.6	168.7	-58.8	170.5	0	0	0	110	A479 I481 C531 V532 P536 V564 P565 T566 Q567	A479-I539 WeakPolarHBondContact O-CA 3.28Å; I481-I539 HydrophobicContact CD1-CG2 3.78Å; I481-I539 HydrophobicContact CG1-CG2 4.15Å; C531-I539 HydrophobicContact CB-CD1 4.42Å; V532-I539 HydrophobicContact CG2-CD1 4.02Å; P536-I539 HydrophobicContact CB-CG1 4.16Å; P536-I539 HydrophobicContact CG-CD1 3.89Å; P536-I539 HydrophobicContact CG-CG1 3.7Å; I539-V564 HydrophobicContact CD1-CG1 3.91Å; I539-V564 HydrophobicContact CG1-CG1 3.89Å; I539-P565 PolarHBondContact N-O 2.83Å; I539-T566 HydrophobicContact CB-CG2 4.35Å; I539-T566 CarbonylContact O-C 3.59Å; I539-T566 VanDerWaalsContact O-CA 3.22Å; I539-T566 WeakPolarHBondContact O-CA 3.47Å; I539-Q567 PolarHBondContact O-N 3.06Å
540	L	98.8	Very high	95.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.2	173.3	-175.1	153.9	0	0	0	110.6	W478 A479 V480 I481 L493 L538 Q567 V569	W478-L540 HydrophobicContact CZ3-CB 4.05Å; W478-L540 HydrophobicContact CZ3-CD1 4.35Å; A479-L540 PolarHBondContact O-N 3.19Å; V480-L540 CarbonylContact C-O 3.51Å; V480-L540 VanDerWaalsContact CA-O 3.27Å; V480-L540 WeakPolarHBondContact CA-O 3.34Å; V480-L540 HydrophobicContact CG1-CD2 3.93Å; V480-L540 HydrophobicContact CG2-CB 4.27Å; I481-L540 PolarHBondContact N-O 3.29Å; L493-L540 HydrophobicContact CD2-CD2 4.4Å; L538-L540 HydrophobicContact CD2-CB 4.42Å; L540-Q567 CarbonylContact C-O 3.53Å; L540-Q567 WeakPolarHBondContact CA-O 3.04Å; L540-Q567 HydrophobicContact CB-CB 4.17Å; L540-Q567 HydrophobicContact CD1-CB 4.16Å; L540-Q567 HydrophobicContact CD1-CG 3.98Å; L540-Q567 HydrophobicContact CG-CB 4Å; L540-Q567 HydrophobicContact CG-CG 4.14Å; L540-V569 HydrophobicContact CD1-CG2 4.24Å; L540-V569 HydrophobicContact CD2-CG2 4.37Å; L540-V569 HydrophobicContact CG-CG2 4.38Å
541	C	98.6	Very high	95.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.5	175.5	-57.2	0	0	0	0	110.6	I481 Y524 V543 I554 Q567 V568 V569	I481-C541 WeakPolarHBondContact O-CA 3.25Å; Y524-C541 HydrophobicContact CD1-CB 4.26Å; Y524-C541 HydrophobicContact CE1-CB 4.32Å; C541-V543 HydrophobicContact CB-CG1 4.44Å; C541-I554 HydrophobicContact CB-CD1 4.06Å; C541-Q567 PolarHBondContact N-O 2.96Å; C541-V568 WeakPolarHBondContact O-CA 3.37Å; C541-V569 PolarHBondContact O-N 2.97Å
542	L	98.5	Very high	95.8	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	107.4	171.8	177.8	62.8	0	0	0	109.1	I481 A482 P483 N486 L490 L493 Y524 V569 T574	I481-L542 PolarHBondContact O-N 2.87Å; A482-L542 HydrophobicContact CB-CB 4.01Å; A482-L542 HydrophobicContact CB-CD2 4.33Å; P483-L542 WeakPolarHBondContact CD-O 3.49Å; N486-L542 HydrophobicContact CB-CD2 4.33Å; L490-L542 HydrophobicContact CB-CD2 3.84Å; L493-L542 HydrophobicContact CD2-CD1 4.38Å; Y524-L542 PolarHBondContact OH-O 3.49Å; Y524-L542 VanDerWaalsContact OH-O 3.05Å; L542-V569 WeakPolarHBondContact CA-O 3.49Å; L542-V569 HydrophobicContact CD1-CB 4.39Å; L542-V569 HydrophobicContact CD1-CG1 4.39Å; L542-T574 HydrophobicContact CD1-CG2 3.85Å
543	V	97.8	Very high	96	Very high	8 Å²	8	49.8 Å²	49.8	5%	0.048	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.8	-175.9	-60.2	0	0	0	0	112.1	Y524 C541 N545 I554 V568 V569 T570 L571	Y524-V543 HydrophobicContact CE1-CG1 4.06Å; C541-V543 HydrophobicContact CB-CG1 4.44Å; V543-N545 PolarHBondContact O-N 2.94Å; V543-I554 HydrophobicContact CG1-CD1 4.09Å; V543-V568 HydrophobicContact CB-CG1 4.47Å; V543-V568 HydrophobicContact CG1-CG1 3.99Å; V543-V568 HydrophobicContact CG2-CG1 3.62Å; V543-V569 PolarHBondContact N-O 3.01Å; V543-T570 HydrophobicContact CG2-CG2 4.1Å; V543-T570 CarbonylContact O-C 3.6Å; V543-T570 WeakPolarHBondContact O-CA 3.47Å; V543-L571 PolarHBondContact O-N 3.29Å
544	P	95.4	Very high	96.3	Very high	25 Å²	25	40.6 Å²	40.6	16%	0.162	22%	0.223	C	C	.	.	S	Bend	trans	-71.3	-32	-172.9	25.2	-33	0	0	0	113.8	D519 Y524	D519-P544 HydrophobicContact CB-CG 3.87Å; D519-P544 WeakPolarHBondContact OD2-CG 3.4Å; Y524-P544 WeakPolarHBondContact OH-CD 3.05Å
545	N	93.6	Very high	96.5	Very high	85 Å²	85	39 Å²	39	46%	0.455	21%	0.211	S	C	.	.	S	Bend	trans	-145.5	166.5	-176.8	60.1	-0.1	0	0	0	111.9	V543 N547 R550	V543-N545 PolarHBondContact O-N 2.94Å; N545-N547 PolarHBondContact O-N 2.76Å; N545-R550 PolarHBondContact OD1-NH1 3.31Å
546	D	92.1	Very high	96.6	Very high	150 Å²	150	36.8 Å²	36.8	80%	0.802	20%	0.197	S	C	*	.			trans	-78.6	64.6	179.4	-161.6	3.3	0	0	0	111
547	N	93.6	Very high	96.6	Very high	56 Å²	56	40.6 Å²	40.6	30%	0.299	21%	0.21	S	C	.	.			trans	-91	111.4	177.8	179.6	-35	0	0	0	109.9	N545 E549 R550 Y551	N545-N547 PolarHBondContact O-N 2.76Å; N547-E549 PolarHBondContact O-N 3.11Å; N547-E549 WeakPolarHBondContact OD1-CA 3.43Å; N547-E549 WeakPolarHBondContact OD1-CB 3.46Å; N547-E549 PolarHBondContact OD1-N 2.64Å; N547-R550 HydrophobicContact CB-CB 4.19Å; N547-R550 PolarHBondContact O-N 3.18Å; N547-R550 PolarHBondContact OD1-N 3.06Å; N547-Y551 WeakPolarHBondContact O-CB 3.05Å; N547-Y551 PolarHBondContact O-N 3.4Å
548	A	90.3	Very high	96.6	Very high	64 Å²	64	37.5 Å²	37.5	53%	0.529	20%	0.197	S	C	.	.	H	α-helix	trans	-65.6	-31.4	-178.4	0	0	0	0	0	114.2	S552	A548-S552 VanDerWaalsContact O-CB 3.24Å; A548-S552 WeakPolarHBondContact O-CB 3.44Å; A548-S552 PolarHBondContact O-N 3.02Å; A548-S552 PolarHBondContact O-OG 2.79Å
549	E	92.8	Very high	96.6	Very high	116 Å²	116	37.5 Å²	37.5	54%	0.542	20%	0.197	S	C	.	.	H	α-helix	trans	-69.4	-47.9	177.5	-177.5	-137.4	112.2	0	0	110.7	T521 N547 Y551 S552 S553	T521-E549 WeakPolarHBondContact CB-OE1 3.39Å; T521-E549 PolarHBondContact OG1-OE1 3.3Å; N547-E549 PolarHBondContact O-N 3.11Å; N547-E549 WeakPolarHBondContact OD1-CA 3.43Å; N547-E549 WeakPolarHBondContact OD1-CB 3.46Å; N547-E549 PolarHBondContact OD1-N 2.64Å; E549-Y551 PolarHBondContact O-N 2.91Å; E549-S552 PolarHBondContact O-N 2.89Å; E549-S553 WeakPolarHBondContact O-CB 3.35Å; E549-S553 PolarHBondContact O-N 3.45Å; E549-S553 PolarHBondContact O-OG 2.83Å
550	R	97.3	Very high	96.6	Very high	12 Å²	12	38.4 Å²	38.4	5%	0.045	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-46.5	175.4	-168.1	-164.4	-69.1	117.4	-6	110.9	D519 Y524 N545 N547 S552 S553 I554	D519-R550 VanDerWaalsContact O-CZ 3.23Å; D519-R550 PolarHBondContact O-NE 2.88Å; D519-R550 PolarHBondContact O-NH2 3.48Å; D519-R550 IonicContact OD2-NH2 2.98Å; D519-R550 PolarHBondContact OD2-NH2 3.49Å; Y524-R550 HydrophobicContact CD2-CG 4.23Å; Y524-R550 HydrophobicContact CE2-CG 4.48Å; N545-R550 PolarHBondContact OD1-NH1 3.31Å; N547-R550 HydrophobicContact CB-CB 4.19Å; N547-R550 PolarHBondContact O-N 3.18Å; N547-R550 PolarHBondContact OD1-N 3.06Å; R550-S552 PolarHBondContact O-N 2.83Å; R550-S553 PolarHBondContact O-N 3.38Å; R550-I554 HydrophobicContact CG-CD1 4.04Å; R550-I554 WeakPolarHBondContact O-CG1 3.35Å; R550-I554 PolarHBondContact O-N 3.33Å
551	Y	98.1	Very high	96.4	Very high	62 Å²	62	40.8 Å²	40.8	24%	0.243	22%	0.216	C	C	.	.	H	α-helix	trans	-58.4	-47.4	175.9	174.9	-92.9	0	0	0	112	N547 E549 S553 I554 K555 V568 L823 N827	N547-Y551 WeakPolarHBondContact O-CB 3.05Å; N547-Y551 PolarHBondContact O-N 3.4Å; E549-Y551 PolarHBondContact O-N 2.91Å; Y551-S553 VanDerWaalsContact C-N 3.33Å; Y551-S553 PolarHBondContact O-N 2.73Å; Y551-I554 PolarHBondContact O-N 3.06Å; Y551-K555 HydrophobicContact CD1-CG 4.22Å; Y551-K555 HydrophobicContact CD2-CG 4.41Å; Y551-K555 HydrophobicContact CE1-CG 3.83Å; Y551-K555 HydrophobicContact CE2-CD 4.42Å; Y551-K555 HydrophobicContact CE2-CG 4.04Å; Y551-K555 HydrophobicContact CG-CG 4.49Å; Y551-K555 WeakPolarHBondContact O-CB 3.18Å; Y551-K555 VanDerWaalsContact O-CG 3.24Å; Y551-K555 WeakPolarHBondContact O-CG 3.35Å; Y551-K555 PolarHBondContact O-N 3.13Å; Y551-V568 HydrophobicContact CD2-CB 4.25Å; Y551-V568 HydrophobicContact CD2-CG1 4.25Å; Y551-V568 HydrophobicContact CD2-CG2 4.06Å; Y551-V568 HydrophobicContact CE2-CB 4.33Å; Y551-V568 HydrophobicContact CE2-CG2 4.16Å; Y551-L823 HydrophobicContact CE1-CD1 4.23Å; Y551-N827 HydrophobicContact CE1-CB 4.37Å
552	S	97.3	Very high	96.3	Very high	21 Å²	21	45.9 Å²	45.9	15%	0.147	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-40.1	-179.5	-58.4	0	0	0	0	111.9	A548 E549 R550 K555 K556 N827	A548-S552 VanDerWaalsContact O-CB 3.24Å; A548-S552 WeakPolarHBondContact O-CB 3.44Å; A548-S552 PolarHBondContact O-N 3.02Å; A548-S552 PolarHBondContact O-OG 2.79Å; E549-S552 PolarHBondContact O-N 2.89Å; R550-S552 PolarHBondContact O-N 2.83Å; S552-K555 PolarHBondContact O-N 2.86Å; S552-K556 WeakPolarHBondContact O-CB 3.26Å; S552-K556 PolarHBondContact O-N 2.81Å; S552-N827 WeakPolarHBondContact CB-O 3.28Å; S552-N827 PolarHBondContact OG-ND2 3.29Å
553	S	98.1	Very high	96.2	Very high	34 Å²	34	47.6 Å²	47.6	24%	0.238	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-45.3	178.6	-58	0	0	0	0	112.5	T521 E549 R550 Y551 K555 K556 R557	T521-S553 VanDerWaalsContact CG2-OG 3.31Å; T521-S553 WeakPolarHBondContact CG2-OG 3.24Å; E549-S553 WeakPolarHBondContact O-CB 3.35Å; E549-S553 PolarHBondContact O-N 3.45Å; E549-S553 PolarHBondContact O-OG 2.83Å; R550-S553 PolarHBondContact O-N 3.38Å; Y551-S553 VanDerWaalsContact C-N 3.33Å; Y551-S553 PolarHBondContact O-N 2.73Å; S553-K555 VanDerWaalsContact C-N 3.31Å; S553-K555 PolarHBondContact O-N 2.83Å; S553-K556 PolarHBondContact O-N 3.06Å; S553-R557 WeakPolarHBondContact O-CG 3.47Å; S553-R557 PolarHBondContact O-N 2.81Å
554	I	98.4	Very high	96.2	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-57.4	-45.1	172	-72.6	167.6	0	0	0	110.5	Y524 M528 C541 V543 R550 Y551 G558 V568	Y524-I554 HydrophobicContact CD1-CD1 3.94Å; Y524-I554 HydrophobicContact CG-CD1 4.07Å; M528-I554 HydrophobicContact CE-CG2 4.48Å; M528-I554 WeakPolarHBondContact CE-O 3.47Å; M528-I554 HydrophobicContact SD-CB 4.22Å; M528-I554 HydrophobicContact SD-CG1 4.22Å; M528-I554 HydrophobicContact SD-CG2 3.87Å; C541-I554 HydrophobicContact CB-CD1 4.06Å; V543-I554 HydrophobicContact CG1-CD1 4.09Å; R550-I554 HydrophobicContact CG-CD1 4.04Å; R550-I554 WeakPolarHBondContact O-CG1 3.35Å; R550-I554 PolarHBondContact O-N 3.33Å; Y551-I554 PolarHBondContact O-N 3.06Å; I554-G558 PolarHBondContact O-N 3.07Å; I554-V568 HydrophobicContact CG2-CG2 4.11Å
555	K	98.3	Very high	96.4	Very high	3 Å²	3	47 Å²	47	1%	0.013	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-39	-179.4	-71	-71.6	168.8	-158.7	0	112.9	Y551 S552 S553 Y559 T566 L823 L828	Y551-K555 HydrophobicContact CD1-CG 4.22Å; Y551-K555 HydrophobicContact CD2-CG 4.41Å; Y551-K555 HydrophobicContact CE1-CG 3.83Å; Y551-K555 HydrophobicContact CE2-CD 4.42Å; Y551-K555 HydrophobicContact CE2-CG 4.04Å; Y551-K555 HydrophobicContact CG-CG 4.49Å; Y551-K555 WeakPolarHBondContact O-CB 3.18Å; Y551-K555 VanDerWaalsContact O-CG 3.24Å; Y551-K555 WeakPolarHBondContact O-CG 3.35Å; Y551-K555 PolarHBondContact O-N 3.13Å; S552-K555 PolarHBondContact O-N 2.86Å; S553-K555 VanDerWaalsContact C-N 3.31Å; S553-K555 PolarHBondContact O-N 2.83Å; K555-Y559 HydrophobicContact CD-CD2 4.19Å; K555-Y559 HydrophobicContact CD-CE2 3.55Å; K555-Y559 PolarHBondContact NZ-OH 2.92Å; K555-Y559 WeakPolarHBondContact O-CB 3.47Å; K555-Y559 PolarHBondContact O-N 3.19Å; K555-T566 PolarHBondContact NZ-O 3.43Å; K555-T566 PolarHBondContact NZ-OG1 3.39Å; K555-L823 HydrophobicContact CD-CD1 4.49Å; K555-L823 HydrophobicContact CG-CD1 4.43Å; K555-L828 VanDerWaalsContact C-CD2 3.42Å; K555-L828 HydrophobicContact CB-CD2 3.75Å; K555-L828 WeakPolarHBondContact O-CD2 3.48Å
556	K	97.6	Very high	96.6	Very high	62 Å²	62	42.9 Å²	42.9	27%	0.27	22%	0.223	S	C	.	.	H	α-helix	trans	-66.1	-48	176.6	-174.5	167.5	176.4	145.9	0	111.7	S552 S553 G558 Y559 V560 D561 L828 S830	S552-K556 WeakPolarHBondContact O-CB 3.26Å; S552-K556 PolarHBondContact O-N 2.81Å; S553-K556 PolarHBondContact O-N 3.06Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 3.13Å; K556-Y559 PolarHBondContact O-N 3.47Å; K556-V560 HydrophobicContact CG-CB 4.03Å; K556-V560 HydrophobicContact CG-CG2 4.18Å; K556-V560 WeakPolarHBondContact O-CB 3.33Å; K556-V560 PolarHBondContact O-N 3.39Å; K556-D561 PolarHBondContact O-N 2.86Å; K556-D561 VanDerWaalsContact O-N 3.16Å; K556-L828 HydrophobicContact CB-CD2 4.34Å; K556-S830 PolarHBondContact NZ-OG 3.37Å
557	R	98	Very high	96.9	Very high	85 Å²	85	36.1 Å²	36.1	32%	0.321	19%	0.186	S	C	.	.	I	π-helix	trans	-58.9	-45.1	175.4	-73.5	-72.7	-178	-80.1	-2.9	112	V525 M528 D529 S553 D561 R562	V525-R557 HydrophobicContact CG1-CG 3.93Å; V525-R557 VanDerWaalsContact CG1-NE 3.35Å; V525-R557 HydrophobicContact CG2-CG 4.06Å; M528-R557 HydrophobicContact CE-CB 4.19Å; M528-R557 HydrophobicContact SD-CB 4.47Å; D529-R557 IonicContact OD2-NE 3.64Å; S553-R557 WeakPolarHBondContact O-CG 3.47Å; S553-R557 PolarHBondContact O-N 2.81Å; R557-D561 VanDerWaalsContact CA-OD2 3.31Å; R557-D561 WeakPolarHBondContact CA-OD2 3.39Å; R557-D561 VanDerWaalsContact CD-OD2 3.31Å; R557-D561 WeakPolarHBondContact CD-OD2 3.35Å; R557-D561 IonicContact CZ-OD2 3.9Å; R557-D561 PolarHBondContact N-OD2 2.94Å; R557-D561 IonicContact NE-OD2 2.66Å; R557-D561 IonicContact NH1-OD2 3.46Å; R557-D561 PolarHBondContact NH1-OD2 3.37Å; R557-R562 WeakPolarHBondContact O-CB 3.14Å; R557-R562 WeakPolarHBondContact O-CG 3.46Å; R557-R562 PolarHBondContact O-N 3.02Å; R557-R562 VanDerWaalsContact O-N 3.07Å
558	G	97.6	Very high	97.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.01	18%	0.18	C	C	.	.	I	π-helix	trans	-66	-36.7	179.8	0	0	0	0	0	115	I554 K556 R562 V564	I554-G558 PolarHBondContact O-N 3.07Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 3.13Å; G558-R562 CarbonylContact C-O 3.54Å; G558-R562 CarbonylContact O-C 3.57Å; G558-V564 PolarHBondContact O-N 2.84Å; G558-V564 VanDerWaalsContact O-O 3.13Å
559	Y	98.2	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-117.5	-18.5	-164.4	-58	-14.7	0	0	0	116.2	K555 K556 R562 V564 T566 L823 L828 P832 Q833 L836 Y841	K555-Y559 HydrophobicContact CD-CD2 4.19Å; K555-Y559 HydrophobicContact CD-CE2 3.55Å; K555-Y559 PolarHBondContact NZ-OH 2.92Å; K555-Y559 WeakPolarHBondContact O-CB 3.47Å; K555-Y559 PolarHBondContact O-N 3.19Å; K556-Y559 PolarHBondContact O-N 3.47Å; Y559-R562 CarbonylContact C-O 3.58Å; Y559-R562 WeakPolarHBondContact CA-O 3.39Å; Y559-V564 WeakPolarHBondContact CD1-O 3.41Å; Y559-V564 VanDerWaalsContact CE1-O 3.29Å; Y559-V564 WeakPolarHBondContact CE1-O 3.34Å; Y559-T566 HydrophobicContact CE1-CG2 4.3Å; Y559-T566 VanDerWaalsContact CE1-OG1 3.28Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.26Å; Y559-T566 VanDerWaalsContact CZ-OG1 3.29Å; Y559-T566 PolarHBondContact OH-N 2.91Å; Y559-T566 PolarHBondContact OH-O 3.2Å; Y559-T566 PolarHBondContact OH-OG1 2.91Å; Y559-L823 HydrophobicContact CD2-CD2 4.2Å; Y559-L823 HydrophobicContact CE2-CD2 4.02Å; Y559-L828 HydrophobicContact CD2-CD1 4.44Å; Y559-P832 CarbonylContact O-C 3.6Å; Y559-P832 VanDerWaalsContact O-CA 3.26Å; Y559-P832 WeakPolarHBondContact O-CA 3.37Å; Y559-Q833 PolarHBondContact O-N 2.67Å; Y559-L836 HydrophobicContact CD1-CD1 3.96Å; Y559-L836 HydrophobicContact CG-CD1 4.2Å; Y559-Y841 HydrophobicContact CD1-CD2 4.43Å; Y559-Y841 AromaticContact CD2-CD2 3.71Å; Y559-Y841 HydrophobicContact CD2-CD2 3.71Å; Y559-Y841 HydrophobicContact CD2-CE2 4.3Å; Y559-Y841 AromaticContact CE2-CD2 3.82Å; Y559-Y841 HydrophobicContact CE2-CD2 3.82Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.49Å; Y559-Y841 HydrophobicContact CG-CD2 4.03Å; Y559-Y841 PolarHBondContact OH-O 3.06Å
560	V	97.5	Very high	97.8	Very high	20 Å²	20	28.5 Å²	28.5	12%	0.121	14%	0.143	C	C	.	.	I	π-helix	trans	-112	-52.4	-179.3	-179.8	0	0	0	0	109.3	K556 R562 L828 Q833	K556-V560 HydrophobicContact CG-CB 4.03Å; K556-V560 HydrophobicContact CG-CG2 4.18Å; K556-V560 WeakPolarHBondContact O-CB 3.33Å; K556-V560 PolarHBondContact O-N 3.39Å; V560-R562 VanDerWaalsContact C-N 3.33Å; V560-R562 PolarHBondContact N-O 2.79Å; V560-L828 HydrophobicContact CG2-CB 4.17Å; V560-L828 HydrophobicContact CG2-CD1 4.36Å; V560-L828 HydrophobicContact CG2-CD2 4.34Å; V560-Q833 WeakPolarHBondContact O-CG 3.39Å; V560-Q833 PolarHBondContact O-NE2 3.26Å
561	D	96.2	Very high	97.7	Very high	51 Å²	51	29 Å²	29	27%	0.273	15%	0.147	S	C	.	.	I	π-helix	trans	-80.5	-19.6	-178.4	-41.8	-48.3	0	0	0	111.6	K556 R557	K556-D561 PolarHBondContact O-N 2.86Å; K556-D561 VanDerWaalsContact O-N 3.16Å; R557-D561 VanDerWaalsContact CA-OD2 3.31Å; R557-D561 WeakPolarHBondContact CA-OD2 3.39Å; R557-D561 VanDerWaalsContact CD-OD2 3.31Å; R557-D561 WeakPolarHBondContact CD-OD2 3.35Å; R557-D561 IonicContact CZ-OD2 3.9Å; R557-D561 PolarHBondContact N-OD2 2.94Å; R557-D561 IonicContact NE-OD2 2.66Å; R557-D561 IonicContact NH1-OD2 3.46Å; R557-D561 PolarHBondContact NH1-OD2 3.37Å
562	R	95.1	Very high	97.6	Very high	107 Å²	107	34.7 Å²	34.7	40%	0.404	17%	0.173	S	C	.	.	S	Bend	trans	-140.1	176.4	174.5	-47	-68.1	168.8	-125.6	8.1	109.3	D529 V532 R557 G558 Y559 V560 Q833	D529-R562 IonicContact OD1-CZ 3.9Å; D529-R562 IonicContact OD1-NE 2.7Å; D529-R562 PolarHBondContact OD1-NE 2.96Å; D529-R562 IonicContact OD1-NH2 3.11Å; D529-R562 PolarHBondContact OD1-NH2 2.96Å; V532-R562 HydrophobicContact CG2-CG 4.37Å; R557-R562 WeakPolarHBondContact O-CB 3.14Å; R557-R562 WeakPolarHBondContact O-CG 3.46Å; R557-R562 PolarHBondContact O-N 3.02Å; R557-R562 VanDerWaalsContact O-N 3.07Å; G558-R562 CarbonylContact C-O 3.54Å; G558-R562 CarbonylContact O-C 3.57Å; Y559-R562 CarbonylContact C-O 3.58Å; Y559-R562 WeakPolarHBondContact CA-O 3.39Å; V560-R562 VanDerWaalsContact C-N 3.33Å; V560-R562 PolarHBondContact N-O 2.79Å; R562-Q833 WeakPolarHBondContact O-CG 3.11Å
563	A	97.4	Very high	97.5	Very high	37 Å²	37	35.1 Å²	35.1	31%	0.306	18%	0.175	S	C	.	.			trans	-121.4	41.7	-179.6	0	0	0	0	0	113.4	Q833 A835 L836	A563-Q833 HydrophobicContact CB-CB 3.83Å; A563-Q833 HydrophobicContact CB-CG 4.19Å; A563-A835 HydrophobicContact CB-CB 4.01Å; A563-L836 HydrophobicContact CB-CG 4.36Å; A563-L836 WeakPolarHBondContact O-CD2 3.46Å
564	V	98	Very high	97.2	Very high	16 Å²	16	34 Å²	34	10%	0.097	17%	0.166	C	C	.	.			trans	-110.7	122.1	-173.2	177.2	0	0	0	0	111.3	V532 P536 I539 G558 Y559	V532-V564 HydrophobicContact CG1-CG2 4.45Å; V532-V564 HydrophobicContact CG2-CG2 4.09Å; P536-V564 HydrophobicContact CG-CG1 4.35Å; I539-V564 HydrophobicContact CD1-CG1 3.91Å; I539-V564 HydrophobicContact CG1-CG1 3.89Å; G558-V564 PolarHBondContact O-N 2.84Å; G558-V564 VanDerWaalsContact O-O 3.13Å; Y559-V564 WeakPolarHBondContact CD1-O 3.41Å; Y559-V564 VanDerWaalsContact CE1-O 3.29Å; Y559-V564 WeakPolarHBondContact CE1-O 3.34Å
565	P	98.3	Very high	96.8	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.019	20%	0.195	C	C	.	.			trans	-57.7	136.5	174.2	-24	34	0	0	0	112.4	L538 I539 K593 L836 K839	L538-P565 WeakPolarHBondContact CA-O 3.43Å; L538-P565 HydrophobicContact CD1-CB 4.31Å; I539-P565 PolarHBondContact N-O 2.83Å; P565-K593 HydrophobicContact CB-CB 4.07Å; P565-K593 WeakPolarHBondContact CG-O 3.37Å; P565-L836 HydrophobicContact CG-CD2 4.09Å; P565-K839 HydrophobicContact CG-CD 4.03Å
566	T	98.6	Very high	96.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.5	-177.9	54.8	0	0	0	0	113.1	M528 I539 K555 Y559 K593	M528-T566 HydrophobicContact CE-CG2 3.85Å; I539-T566 HydrophobicContact CB-CG2 4.35Å; I539-T566 CarbonylContact O-C 3.59Å; I539-T566 VanDerWaalsContact O-CA 3.22Å; I539-T566 WeakPolarHBondContact O-CA 3.47Å; K555-T566 PolarHBondContact NZ-O 3.43Å; K555-T566 PolarHBondContact NZ-OG1 3.39Å; Y559-T566 HydrophobicContact CE1-CG2 4.3Å; Y559-T566 VanDerWaalsContact CE1-OG1 3.28Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.26Å; Y559-T566 VanDerWaalsContact CZ-OG1 3.29Å; Y559-T566 PolarHBondContact OH-N 2.91Å; Y559-T566 PolarHBondContact OH-O 3.2Å; Y559-T566 PolarHBondContact OH-OG1 2.91Å; T566-K593 PolarHBondContact O-NZ 3.01Å
567	Q	98.6	Very high	96.3	Very high	7 Å²	7	53.2 Å²	53.2	3%	0.033	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	143.5	165.8	-171.8	62.3	14	0	0	109.5	L538 I539 L540 C541 V569 I586 Q589 L590	L538-Q567 HydrophobicContact CD2-CB 4.3Å; I539-Q567 PolarHBondContact O-N 3.06Å; L540-Q567 CarbonylContact C-O 3.53Å; L540-Q567 WeakPolarHBondContact CA-O 3.04Å; L540-Q567 HydrophobicContact CB-CB 4.17Å; L540-Q567 HydrophobicContact CD1-CB 4.16Å; L540-Q567 HydrophobicContact CD1-CG 3.98Å; L540-Q567 HydrophobicContact CG-CB 4Å; L540-Q567 HydrophobicContact CG-CG 4.14Å; C541-Q567 PolarHBondContact N-O 2.96Å; Q567-V569 HydrophobicContact CG-CG2 4.13Å; Q567-I586 HydrophobicContact CG-CG2 4.25Å; Q567-Q589 VanDerWaalsContact OE1-CD 3.32Å; Q567-L590 HydrophobicContact CB-CD2 3.78Å; Q567-L590 HydrophobicContact CG-CD2 3.94Å
568	V	98.6	Very high	96.1	Very high	28 Å²	28	52.5 Å²	52.5	17%	0.17	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.1	170.3	-178.2	0	0	0	0	107.3	C541 V543 Y551 I554	C541-V568 WeakPolarHBondContact O-CA 3.37Å; V543-V568 HydrophobicContact CB-CG1 4.47Å; V543-V568 HydrophobicContact CG1-CG1 3.99Å; V543-V568 HydrophobicContact CG2-CG1 3.62Å; Y551-V568 HydrophobicContact CD2-CB 4.25Å; Y551-V568 HydrophobicContact CD2-CG1 4.25Å; Y551-V568 HydrophobicContact CD2-CG2 4.06Å; Y551-V568 HydrophobicContact CE2-CB 4.33Å; Y551-V568 HydrophobicContact CE2-CG2 4.16Å; I554-V568 HydrophobicContact CG2-CG2 4.11Å
569	V	98.4	Very high	95.9	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.036	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.2	177	-176.5	0	0	0	0	108.1	L493 L540 C541 L542 V543 Q567 T573 T574 I586	L493-V569 HydrophobicContact CD1-CG1 4.34Å; L493-V569 HydrophobicContact CD2-CB 4.08Å; L493-V569 HydrophobicContact CD2-CG1 3.87Å; L493-V569 HydrophobicContact CD2-CG2 4.17Å; L540-V569 HydrophobicContact CD1-CG2 4.24Å; L540-V569 HydrophobicContact CD2-CG2 4.37Å; L540-V569 HydrophobicContact CG-CG2 4.38Å; C541-V569 PolarHBondContact O-N 2.97Å; L542-V569 WeakPolarHBondContact CA-O 3.49Å; L542-V569 HydrophobicContact CD1-CB 4.39Å; L542-V569 HydrophobicContact CD1-CG1 4.39Å; V543-V569 PolarHBondContact N-O 3.01Å; Q567-V569 HydrophobicContact CG-CG2 4.13Å; V569-T573 HydrophobicContact CG1-CG2 4.11Å; V569-T574 HydrophobicContact CG1-CG2 4.45Å; V569-I586 HydrophobicContact CG2-CD1 4.06Å
570	T	97.4	Very high	95.7	Very high	42 Å²	42	57.2 Å²	57.2	26%	0.258	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	144	176.3	56.8	0	0	0	0	110.7	V543 K572 T573	V543-T570 HydrophobicContact CG2-CG2 4.1Å; V543-T570 CarbonylContact O-C 3.6Å; V543-T570 WeakPolarHBondContact O-CA 3.47Å; T570-K572 PolarHBondContact O-N 2.88Å; T570-K572 VanDerWaalsContact O-N 3.13Å; T570-T573 WeakPolarHBondContact O-CA 3.47Å; T570-T573 WeakPolarHBondContact O-CB 3.4Å; T570-T573 PolarHBondContact O-N 2.81Å; T570-T573 PolarHBondContact O-OG1 2.89Å; T570-T573 PolarHBondContact OG1-OG1 2.97Å
571	L	96.1	Very high	95.4	Very high	24 Å²	24	58.4 Å²	58.4	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-25.9	179.4	-173.1	67.5	0	0	0	113.7	N486 E489 V543 T573 T574	N486-L571 HydrophobicContact CB-CD1 4.21Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.34Å; E489-L571 HydrophobicContact CB-CD1 3.68Å; E489-L571 HydrophobicContact CG-CD1 3.73Å; V543-L571 PolarHBondContact O-N 3.29Å; L571-T573 PolarHBondContact O-N 3.09Å; L571-T574 PolarHBondContact O-N 3.17Å; L571-T574 PolarHBondContact O-OG1 3.16Å
572	K	95	Very high	95.4	Very high	181 Å²	181	58 Å²	58	79%	0.787	28%	0.284	S	S	*	.	H	α-helix	trans	-62.9	-23.9	170.6	-173.9	172.4	-179.1	175.6	0	113	T570	T570-K572 PolarHBondContact O-N 2.88Å; T570-K572 VanDerWaalsContact O-N 3.13Å
573	T	94.9	Very high	95.4	Very high	30 Å²	30	52.9 Å²	52.9	18%	0.184	26%	0.264	C	S	.	.	H	α-helix	trans	-76	-40.1	-179.9	-55.7	0	0	0	0	112.1	V569 T570 L571 K575 N576 I582	V569-T573 HydrophobicContact CG1-CG2 4.11Å; T570-T573 WeakPolarHBondContact O-CA 3.47Å; T570-T573 WeakPolarHBondContact O-CB 3.4Å; T570-T573 PolarHBondContact O-N 2.81Å; T570-T573 PolarHBondContact O-OG1 2.89Å; T570-T573 PolarHBondContact OG1-OG1 2.97Å; L571-T573 PolarHBondContact O-N 3.09Å; T573-K575 VanDerWaalsContact C-N 3.3Å; T573-K575 PolarHBondContact O-N 3.33Å; T573-N576 WeakPolarHBondContact O-CB 3.28Å; T573-N576 PolarHBondContact O-N 3.05Å; T573-I582 HydrophobicContact CG2-CD1 4.18Å; T573-I582 HydrophobicContact CG2-CG2 3.66Å
574	T	92.1	Very high	95.3	Very high	9 Å²	9	52.7 Å²	52.7	6%	0.055	26%	0.26	C	S	.	.	H	α-helix	trans	-68.7	-30.2	-179.2	63	0	0	0	0	112.1	E489 L493 L542 V569 L571 N576	E489-T574 HydrophobicContact CB-CG2 4.5Å; E489-T574 WeakPolarHBondContact CB-OG1 3.48Å; L493-T574 HydrophobicContact CB-CG2 3.84Å; L493-T574 HydrophobicContact CD1-CG2 4.36Å; L493-T574 HydrophobicContact CD2-CG2 4Å; L493-T574 HydrophobicContact CG-CG2 4.29Å; L542-T574 HydrophobicContact CD1-CG2 3.85Å; V569-T574 HydrophobicContact CG1-CG2 4.45Å; L571-T574 PolarHBondContact O-N 3.17Å; L571-T574 PolarHBondContact O-OG1 3.16Å; T574-N576 PolarHBondContact O-N 3.33Å
575	K	90.9	Very high	95.2	Very high	141 Å²	141	55.8 Å²	55.8	61%	0.613	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	15.3	176.6	-53.8	-167.5	-178	-163.7	0	114.1	E489 T573	E489-K575 HydrophobicContact CG-CG 4.47Å; E489-K575 WeakPolarHBondContact OE1-CE 3.11Å; E489-K575 IonicContact OE1-NZ 3.04Å; E489-K575 PolarHBondContact OE1-NZ 3.26Å; T573-K575 VanDerWaalsContact C-N 3.3Å; T573-K575 PolarHBondContact O-N 3.33Å
576	N	93.6	Very high	95.2	Very high	70 Å²	70	56.1 Å²	56.1	37%	0.374	27%	0.273	S	S	.	.			trans	-90.3	128.8	-177.2	-168.7	-43.9	0	0	0	111.6	T573 T574 S578 L579 I582	T573-N576 WeakPolarHBondContact O-CB 3.28Å; T573-N576 PolarHBondContact O-N 3.05Å; T574-N576 PolarHBondContact O-N 3.33Å; N576-S578 PolarHBondContact O-N 3.45Å; N576-S578 PolarHBondContact OD1-N 2.94Å; N576-L579 WeakPolarHBondContact O-CB 3.4Å; N576-L579 PolarHBondContact O-N 2.9Å; N576-I582 HydrophobicContact CB-CD1 3.94Å
577	R	91.6	Very high	95.2	Very high	260 Å²	260	56.1 Å²	56.1	98%	0.981	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-25.1	176.9	-65.4	-175.2	-179.9	-176.2	-0.9	114.1
578	S	93.1	Very high	95.1	Very high	69 Å²	69	56.2 Å²	56.2	48%	0.483	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	21.4	179	-58.9	0	0	0	0	113.9	N576 M580 S581	N576-S578 PolarHBondContact O-N 3.45Å; N576-S578 PolarHBondContact OD1-N 2.94Å; S578-M580 VanDerWaalsContact C-N 3.32Å; S578-M580 PolarHBondContact O-N 2.78Å; S578-M580 VanDerWaalsContact O-N 3.14Å; S578-S581 PolarHBondContact O-N 2.93Å; S578-S581 PolarHBondContact O-OG 3.05Å
579	L	94.3	Very high	95.1	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-46.9	-46.2	-170.8	-179.6	58.8	0	0	0	114.2	T492 L493 S496 N576 S581 I582 A583	T492-L579 HydrophobicContact CG2-CD2 3.92Å; L493-L579 HydrophobicContact CD1-CD1 4.21Å; S496-L579 VanDerWaalsContact OG-CD2 3.24Å; S496-L579 WeakPolarHBondContact OG-CD2 3.3Å; N576-L579 WeakPolarHBondContact O-CB 3.4Å; N576-L579 PolarHBondContact O-N 2.9Å; L579-S581 VanDerWaalsContact C-N 3.28Å; L579-S581 PolarHBondContact O-N 3.01Å; L579-I582 CarbonylContact O-C 3.2Å; L579-I582 WeakPolarHBondContact O-CA 3.33Å; L579-I582 WeakPolarHBondContact O-CB 3.41Å; L579-I582 PolarHBondContact O-N 3.15Å; L579-A583 PolarHBondContact O-N 2.78Å
580	M	93.2	Very high	95.1	Very high	84 Å²	84	56 Å²	56	41%	0.414	27%	0.27	S	S	.	.	H	α-helix	trans	-52.5	-43.6	178	-77.4	-58.6	-57.1	0	0	113	R499 A500 S578 I582 A583 T584	R499-M580 HydrophobicContact CB-CE 3.84Å; R499-M580 HydrophobicContact CB-SD 4.41Å; A500-M580 HydrophobicContact CB-CE 4.07Å; S578-M580 VanDerWaalsContact C-N 3.32Å; S578-M580 PolarHBondContact O-N 2.78Å; S578-M580 VanDerWaalsContact O-N 3.14Å; M580-I582 PolarHBondContact O-N 2.68Å; M580-A583 PolarHBondContact O-N 2.97Å; M580-T584 PolarHBondContact O-N 2.82Å; M580-T584 PolarHBondContact O-OG1 2.9Å
581	S	92.7	Very high	95.2	Very high	45 Å²	45	54 Å²	54	32%	0.315	26%	0.258	S	S	.	.	H	α-helix	trans	-69.3	-21.6	178.8	73.5	0	0	0	0	113.8	S578 L579	S578-S581 PolarHBondContact O-N 2.93Å; S578-S581 PolarHBondContact O-OG 3.05Å; L579-S581 VanDerWaalsContact C-N 3.28Å; L579-S581 PolarHBondContact O-N 3.01Å
582	I	95.3	Very high	95.3	Very high	43 Å²	43	52.8 Å²	52.8	22%	0.221	25%	0.252	C	S	.	.	H	α-helix	trans	-85.8	-39.7	175.1	-52.1	173	0	0	0	109.3	T573 N576 L579 M580 T584 K585 I586	T573-I582 HydrophobicContact CG2-CD1 4.18Å; T573-I582 HydrophobicContact CG2-CG2 3.66Å; N576-I582 HydrophobicContact CB-CD1 3.94Å; L579-I582 CarbonylContact O-C 3.2Å; L579-I582 WeakPolarHBondContact O-CA 3.33Å; L579-I582 WeakPolarHBondContact O-CB 3.41Å; L579-I582 PolarHBondContact O-N 3.15Å; M580-I582 PolarHBondContact O-N 2.68Å; I582-T584 VanDerWaalsContact C-N 3.31Å; I582-T584 PolarHBondContact O-N 3.12Å; I582-K585 CarbonylContact O-C 3.42Å; I582-K585 WeakPolarHBondContact O-CA 3.42Å; I582-K585 PolarHBondContact O-N 3.37Å; I582-I586 HydrophobicContact CG2-CD1 4.12Å; I582-I586 HydrophobicContact CG2-CG1 4.46Å; I582-I586 WeakPolarHBondContact O-CG1 3.17Å; I582-I586 PolarHBondContact O-N 2.98Å
583	A	95.8	Very high	95.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-39	173	0	0	0	0	0	111.9	S496 A500 L579 M580 K585 I586 A587	S496-A583 WeakPolarHBondContact O-CB 3.25Å; A500-A583 HydrophobicContact CB-CB 4.03Å; L579-A583 PolarHBondContact O-N 2.78Å; M580-A583 PolarHBondContact O-N 2.97Å; A583-K585 PolarHBondContact O-N 2.94Å; A583-I586 PolarHBondContact O-N 2.83Å; A583-A587 WeakPolarHBondContact O-CB 3.31Å; A583-A587 PolarHBondContact O-N 3.42Å
584	T	95.4	Very high	95.6	Very high	33 Å²	33	43.8 Å²	43.8	20%	0.202	21%	0.211	C	C	.	.	H	α-helix	trans	-54.8	-48.9	168.5	-48.6	0	0	0	0	111.5	F462 M504 M580 I582 I586 A587 I588	F462-T584 HydrophobicContact CB-CG2 4.18Å; M504-T584 HydrophobicContact CE-CG2 3.95Å; M504-T584 WeakPolarHBondContact CE-O 3.34Å; M504-T584 HydrophobicContact SD-CG2 3.53Å; M504-T584 VanDerWaalsContact SD-CG2 3.53Å; M580-T584 PolarHBondContact O-N 2.82Å; M580-T584 PolarHBondContact O-OG1 2.9Å; I582-T584 VanDerWaalsContact C-N 3.31Å; I582-T584 PolarHBondContact O-N 3.12Å; T584-I586 PolarHBondContact O-N 3.35Å; T584-A587 PolarHBondContact O-N 2.86Å; T584-I588 HydrophobicContact CG2-CD1 4.36Å; T584-I588 WeakPolarHBondContact O-CG1 3.48Å; T584-I588 PolarHBondContact O-N 2.9Å
585	K	96.3	Very high	95.8	Very high	80 Å²	80	44.1 Å²	44.1	35%	0.348	22%	0.216	S	C	.	.	H	α-helix	trans	-68.5	-35	-179.9	-67.1	-177.2	-178.9	-170.3	0	112.7	I582 A583 Q589	I582-K585 CarbonylContact O-C 3.42Å; I582-K585 WeakPolarHBondContact O-CA 3.42Å; I582-K585 PolarHBondContact O-N 3.37Å; A583-K585 PolarHBondContact O-N 2.94Å; K585-Q589 WeakPolarHBondContact O-CB 3Å; K585-Q589 PolarHBondContact O-N 3.49Å
586	I	97.8	Very high	96.1	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-49.6	172.2	-66.9	166.6	0	0	0	109.5	L493 L497 Q567 V569 I582 A583 T584 I588 Q589 L590	L493-I586 HydrophobicContact CD1-CD1 4.21Å; L497-I586 HydrophobicContact CD1-CB 4.19Å; L497-I586 HydrophobicContact CD1-CG2 3.78Å; Q567-I586 HydrophobicContact CG-CG2 4.25Å; V569-I586 HydrophobicContact CG2-CD1 4.06Å; I582-I586 HydrophobicContact CG2-CD1 4.12Å; I582-I586 HydrophobicContact CG2-CG1 4.46Å; I582-I586 WeakPolarHBondContact O-CG1 3.17Å; I582-I586 PolarHBondContact O-N 2.98Å; A583-I586 PolarHBondContact O-N 2.83Å; T584-I586 PolarHBondContact O-N 3.35Å; I586-I588 VanDerWaalsContact C-N 3.35Å; I586-I588 PolarHBondContact O-N 2.92Å; I586-Q589 CarbonylContact O-C 3.46Å; I586-Q589 WeakPolarHBondContact O-CA 3.33Å; I586-Q589 WeakPolarHBondContact O-CB 3.24Å; I586-Q589 PolarHBondContact O-N 2.97Å; I586-L590 HydrophobicContact CG2-CD1 4.45Å; I586-L590 HydrophobicContact CG2-CD2 4.4Å; I586-L590 HydrophobicContact CG2-CG 4.19Å; I586-L590 WeakPolarHBondContact O-CG 3.19Å; I586-L590 PolarHBondContact O-N 3.34Å
587	A	97.5	Very high	96.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-38.5	179.2	0	0	0	0	0	113.2	L497 A501 M504 A583 T584 L590 N591	L497-A587 HydrophobicContact CD1-CB 3.93Å; A501-A587 HydrophobicContact CB-CB 3.8Å; M504-A587 HydrophobicContact CE-CB 3.45Å; M504-A587 VanDerWaalsContact CE-CB 3.45Å; A583-A587 WeakPolarHBondContact O-CB 3.31Å; A583-A587 PolarHBondContact O-N 3.42Å; T584-A587 PolarHBondContact O-N 2.86Å; A587-L590 PolarHBondContact O-N 3.4Å; A587-N591 PolarHBondContact O-N 2.69Å
588	I	97.8	Very high	96.5	Very high	9 Å²	9	25.8 Å²	25.8	5%	0.046	14%	0.139	C	C	.	.	H	α-helix	trans	-57.9	-48.6	169.1	-69.1	167.2	0	0	0	110.5	F462 M467 M504 T584 I586 L590 N591 C592 P598 W599 Y802	F462-I588 HydrophobicContact CD1-CD1 3.68Å; F462-I588 HydrophobicContact CD1-CG1 4.38Å; F462-I588 HydrophobicContact CE1-CD1 3.74Å; F462-I588 HydrophobicContact CE1-CG1 4.42Å; F462-I588 HydrophobicContact CG-CD1 4.12Å; F462-I588 HydrophobicContact CZ-CD1 4.25Å; M467-I588 HydrophobicContact SD-CB 4.49Å; M467-I588 HydrophobicContact SD-CG1 4.02Å; M504-I588 HydrophobicContact CE-CG1 3.92Å; M504-I588 HydrophobicContact SD-CD1 3.99Å; M504-I588 HydrophobicContact SD-CG1 3.66Å; T584-I588 HydrophobicContact CG2-CD1 4.36Å; T584-I588 WeakPolarHBondContact O-CG1 3.48Å; T584-I588 PolarHBondContact O-N 2.9Å; I586-I588 VanDerWaalsContact C-N 3.35Å; I586-I588 PolarHBondContact O-N 2.92Å; I588-L590 VanDerWaalsContact C-N 3.33Å; I588-L590 PolarHBondContact O-N 3.48Å; I588-N591 PolarHBondContact O-N 2.68Å; I588-C592 PolarHBondContact O-N 3.49Å; I588-C592 VanDerWaalsContact O-N 3.07Å; I588-C592 PolarHBondContact O-SG 3.41Å; I588-P598 HydrophobicContact CG2-CB 3.92Å; I588-P598 HydrophobicContact CG2-CG 3.94Å; I588-W599 HydrophobicContact CG2-CZ3 4.17Å; I588-Y802 WeakPolarHBondContact CG2-O 3.41Å
589	Q	98.3	Very high	96.7	Very high	29 Å²	29	22.5 Å²	22.5	14%	0.136	12%	0.116	C	C	.	.	H	α-helix	trans	-63.6	-34.5	178.3	-170.8	-179.3	16.5	0	0	112.5	Q567 K585 I586 K593 L843	Q567-Q589 VanDerWaalsContact OE1-CD 3.32Å; K585-Q589 WeakPolarHBondContact O-CB 3Å; K585-Q589 PolarHBondContact O-N 3.49Å; I586-Q589 CarbonylContact O-C 3.46Å; I586-Q589 WeakPolarHBondContact O-CA 3.33Å; I586-Q589 WeakPolarHBondContact O-CB 3.24Å; I586-Q589 PolarHBondContact O-N 2.97Å; Q589-K593 HydrophobicContact CG-CD 4.37Å; Q589-K593 WeakPolarHBondContact O-CB 3.35Å; Q589-K593 VanDerWaalsContact O-CG 3.25Å; Q589-K593 WeakPolarHBondContact O-CG 3.24Å; Q589-K593 PolarHBondContact O-N 3.39Å; Q589-L843 HydrophobicContact CG-CB 4.26Å; Q589-L843 PolarHBondContact NE2-O 3.03Å; Q589-L843 PolarHBondContact NE2-OXT 3.21Å
590	L	98.5	Very high	96.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.6	-47.3	173.1	-60.9	-171.2	0	0	0	111	L475 L497 I508 L538 Q567 I586 A587 I588 C592 K593 L594	L475-L590 HydrophobicContact CD2-CD1 4.19Å; L497-L590 HydrophobicContact CD1-CD1 4.15Å; L497-L590 HydrophobicContact CD2-CD1 3.96Å; I508-L590 HydrophobicContact CD1-CD1 4.28Å; L538-L590 HydrophobicContact CD1-CB 4.5Å; L538-L590 HydrophobicContact CD1-CD2 3.66Å; L538-L590 HydrophobicContact CD2-CD2 3.79Å; L538-L590 HydrophobicContact CG-CD2 4.4Å; Q567-L590 HydrophobicContact CB-CD2 3.78Å; Q567-L590 HydrophobicContact CG-CD2 3.94Å; I586-L590 HydrophobicContact CG2-CD1 4.45Å; I586-L590 HydrophobicContact CG2-CD2 4.4Å; I586-L590 HydrophobicContact CG2-CG 4.19Å; I586-L590 WeakPolarHBondContact O-CG 3.19Å; I586-L590 PolarHBondContact O-N 3.34Å; A587-L590 PolarHBondContact O-N 3.4Å; I588-L590 VanDerWaalsContact C-N 3.33Å; I588-L590 PolarHBondContact O-N 3.48Å; L590-C592 VanDerWaalsContact C-N 3.3Å; L590-C592 PolarHBondContact O-N 3.17Å; L590-K593 WeakPolarHBondContact O-CB 3.46Å; L590-K593 PolarHBondContact O-N 2.93Å; L590-L594 WeakPolarHBondContact O-CG 3.48Å; L590-L594 PolarHBondContact O-N 2.97Å
591	N	98.3	Very high	97	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-56.7	-45.3	177.7	-162.1	47.6	0	0	0	111.4	M467 T469 P471 L506 A587 I588 K593 L594 G595 Y596	M467-N591 HydrophobicContact CE-CB 3.81Å; M467-N591 HydrophobicContact SD-CB 3.84Å; T469-N591 PolarHBondContact O-ND2 2.73Å; P471-N591 WeakPolarHBondContact CD-OD1 3.3Å; L506-N591 HydrophobicContact CD2-CB 4.31Å; A587-N591 PolarHBondContact O-N 2.69Å; I588-N591 PolarHBondContact O-N 2.68Å; N591-K593 VanDerWaalsContact C-N 3.34Å; N591-K593 PolarHBondContact O-N 3.47Å; N591-L594 PolarHBondContact O-N 2.85Å; N591-G595 PolarHBondContact O-N 3.2Å; N591-Y596 PolarHBondContact O-N 3.01Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.35Å
592	C	98.4	Very high	97	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-41.5	174.7	-60.3	0	0	0	0	112.3	I588 L590 L594 G595 Y596 Y802 F840 L843	I588-C592 PolarHBondContact O-N 3.49Å; I588-C592 VanDerWaalsContact O-N 3.07Å; I588-C592 PolarHBondContact O-SG 3.41Å; L590-C592 VanDerWaalsContact C-N 3.3Å; L590-C592 PolarHBondContact O-N 3.17Å; C592-L594 VanDerWaalsContact C-N 3.28Å; C592-L594 PolarHBondContact O-N 2.9Å; C592-G595 PolarHBondContact O-N 3.37Å; C592-Y596 WeakPolarHBondContact CA-O 3.14Å; C592-Y802 WeakPolarHBondContact SG-CB 3.49Å; C592-F840 HydrophobicContact CB-CB 3.81Å; C592-F840 HydrophobicContact CB-CD2 3.84Å; C592-F840 HydrophobicContact CB-CG 4.12Å; C592-F840 WeakPolarHBondContact O-CB 3.35Å; C592-F840 WeakPolarHBondContact O-CD2 3.35Å; C592-F840 PolarHBondContact O-N 3.06Å; C592-F840 VanDerWaalsContact O-N 3.13Å; C592-L843 HydrophobicContact CB-CD1 3.98Å
593	K	98.4	Very high	97	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.009	9%	0.089	C	C	.	.	H	α-helix	trans	-67.9	-25.3	179.3	-80.1	175.3	179.2	179.2	0	114.1	L538 P565 T566 Q589 L590 N591 G595 F840 L843	L538-K593 HydrophobicContact CD1-CB 3.9Å; L538-K593 HydrophobicContact CD1-CD 4.32Å; P565-K593 HydrophobicContact CB-CB 4.07Å; P565-K593 WeakPolarHBondContact CG-O 3.37Å; T566-K593 PolarHBondContact O-NZ 3.01Å; Q589-K593 HydrophobicContact CG-CD 4.37Å; Q589-K593 WeakPolarHBondContact O-CB 3.35Å; Q589-K593 VanDerWaalsContact O-CG 3.25Å; Q589-K593 WeakPolarHBondContact O-CG 3.24Å; Q589-K593 PolarHBondContact O-N 3.39Å; L590-K593 WeakPolarHBondContact O-CB 3.46Å; L590-K593 PolarHBondContact O-N 2.93Å; N591-K593 VanDerWaalsContact C-N 3.34Å; N591-K593 PolarHBondContact O-N 3.47Å; K593-G595 VanDerWaalsContact C-N 3.31Å; K593-F840 WeakPolarHBondContact CG-O 3.26Å; K593-L843 WeakPolarHBondContact CE-OXT 3.23Å; K593-L843 PolarHBondContact NZ-OXT 3.35Å
594	L	97.4	Very high	96.7	Very high	19 Å²	19	23.4 Å²	23.4	10%	0.099	12%	0.123	C	C	.	.	H	α-helix	trans	-77.7	-18.6	172.2	-63.3	168	0	0	0	112.3	P471 L475 K537 L538 L590 N591 C592 Y596	P471-L594 HydrophobicContact CG-CD1 4.17Å; L475-L594 HydrophobicContact CB-CD1 4.41Å; L475-L594 HydrophobicContact CD1-CD1 4.03Å; L475-L594 HydrophobicContact CD1-CD2 3.91Å; K537-L594 HydrophobicContact CB-CD2 3.89Å; L538-L594 HydrophobicContact CB-CD2 4.43Å; L590-L594 WeakPolarHBondContact O-CG 3.48Å; L590-L594 PolarHBondContact O-N 2.97Å; N591-L594 PolarHBondContact O-N 2.85Å; C592-L594 VanDerWaalsContact C-N 3.28Å; C592-L594 PolarHBondContact O-N 2.9Å; L594-Y596 HydrophobicContact CB-CD2 3.8Å; L594-Y596 HydrophobicContact CB-CE2 4.15Å
595	G	96.2	Very high	96.6	Very high	16 Å²	16	23.2 Å²	23.2	17%	0.165	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	115.4	2.7	179.4	0	0	0	0	0	114.9	N591 C592 K593	N591-G595 PolarHBondContact O-N 3.2Å; C592-G595 PolarHBondContact O-N 3.37Å; K593-G595 VanDerWaalsContact C-N 3.31Å
596	Y	97.4	Very high	96.4	Very high	84 Å²	84	22.3 Å²	22.3	33%	0.329	12%	0.124	S	C	.	.			trans	-100.6	163.1	-168.7	-66.3	-95.7	0	0	0	113.1	T470 P471 N591 C592 L594	T470-Y596 VanDerWaalsContact C-CD1 3.44Å; P471-Y596 HydrophobicContact CB-CD2 4.39Å; P471-Y596 HydrophobicContact CB-CE1 4.23Å; P471-Y596 HydrophobicContact CB-CE2 3.74Å; P471-Y596 HydrophobicContact CG-CD2 4.31Å; P471-Y596 HydrophobicContact CG-CE2 4.11Å; N591-Y596 PolarHBondContact O-N 3.01Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.35Å; C592-Y596 WeakPolarHBondContact CA-O 3.14Å; L594-Y596 HydrophobicContact CB-CD2 3.8Å; L594-Y596 HydrophobicContact CB-CE2 4.15Å
597	T	97.8	Very high	96.3	Very high	2 Å²	2	22 Å²	22	1%	0.012	12%	0.124	C	C	.	.			trans	-104.8	123.3	-172.9	-34.1	0	0	0	0	111.7	L468 T469 W599 M600 S639 Y802	L468-T597 HydrophobicContact CD2-CG2 4.41Å; L468-T597 PolarHBondContact N-O 2.99Å; T469-T597 PolarHBondContact N-O 2.67Å; T469-T597 VanDerWaalsContact O-O 3.09Å; T469-T597 WeakPolarHBondContact OG1-CB 3.49Å; T469-T597 PolarHBondContact OG1-N 2.81Å; T469-T597 PolarHBondContact OG1-O 2.73Å; T469-T597 PolarHBondContact OG1-OG1 2.98Å; T597-W599 WeakPolarHBondContact CG2-O 3.46Å; T597-M600 HydrophobicContact CG2-CE 4.27Å; T597-S639 WeakPolarHBondContact CB-OG 3.31Å; T597-S639 WeakPolarHBondContact CG2-OG 3.31Å; T597-S639 VanDerWaalsContact OG1-CB 3.3Å; T597-S639 WeakPolarHBondContact OG1-CB 3.4Å; T597-S639 PolarHBondContact OG1-O 3.3Å; T597-S639 PolarHBondContact OG1-OG 3.37Å; T597-Y802 HydrophobicContact CG2-CE1 4.21Å; T597-Y802 HydrophobicContact CG2-CE2 3.78Å; T597-Y802 VanDerWaalsContact CG2-CZ 3.49Å; T597-Y802 VanDerWaalsContact CG2-OH 3.25Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.37Å
598	P	97.3	Very high	96.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-78.9	-31.5	176.7	31.9	-34.9	0	0	0	113.5	M467 L468 I588 Y802	M467-P598 WeakPolarHBondContact CA-O 3.42Å; M467-P598 HydrophobicContact CB-CB 4.44Å; M467-P598 HydrophobicContact CG-CB 3.75Å; M467-P598 HydrophobicContact SD-CB 3.64Å; L468-P598 PolarHBondContact N-O 2.99Å; I588-P598 HydrophobicContact CG2-CB 3.92Å; I588-P598 HydrophobicContact CG2-CG 3.94Å; P598-Y802 HydrophobicContact CG-CD1 3.65Å; P598-Y802 HydrophobicContact CG-CD2 4.03Å; P598-Y802 HydrophobicContact CG-CE1 4.37Å; P598-Y802 HydrophobicContact CG-CG 3.49Å; P598-Y802 VanDerWaalsContact CG-CG 3.49Å
599	W	97.6	Very high	96.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.			trans	-157.6	165.1	174.6	68	87.9	0	0	0	111.8	I443 V444 F445 W458 F462 I588 T597 H799 Y802 W804	I443-W599 HydrophobicContact CG2-CB 3.67Å; I443-W599 HydrophobicContact CG2-CG 3.78Å; V444-W599 CarbonylContact O-C 3.48Å; V444-W599 VanDerWaalsContact O-CA 3.3Å; V444-W599 WeakPolarHBondContact O-CA 3.45Å; V444-W599 WeakPolarHBondContact O-CB 3.47Å; F445-W599 HydrophobicContact CE1-CB 4.17Å; F445-W599 HydrophobicContact CZ-CB 4.29Å; W458-W599 AromaticContact CE2-CE2 3.96Å; W458-W599 AromaticContact CE2-NE1 3.95Å; W458-W599 AromaticContact CZ2-CE2 3.74Å; W458-W599 AromaticContact CZ2-CZ2 3.79Å; W458-W599 HydrophobicContact CZ2-CZ2 3.79Å; W458-W599 AromaticContact CZ2-NE1 3.51Å; W458-W599 AromaticContact NE1-CD2 3.79Å; W458-W599 AromaticContact NE1-CE2 3.54Å; W458-W599 AromaticContact NE1-CZ2 3.79Å; W458-W599 AromaticContact NE1-NE1 3.84Å; F462-W599 AromaticContact CE1-CE3 3.63Å; F462-W599 HydrophobicContact CE1-CE3 3.63Å; F462-W599 AromaticContact CE1-CZ3 3.88Å; F462-W599 HydrophobicContact CE1-CZ3 3.88Å; F462-W599 HydrophobicContact CE2-CZ3 4.45Å; F462-W599 HydrophobicContact CZ-CD2 4.13Å; F462-W599 AromaticContact CZ-CE3 3.33Å; F462-W599 HydrophobicContact CZ-CE3 3.33Å; F462-W599 HydrophobicContact CZ-CH2 4.28Å; F462-W599 AromaticContact CZ-CZ3 3.43Å; F462-W599 HydrophobicContact CZ-CZ3 3.43Å; F462-W599 VanDerWaalsContact CZ-CZ3 3.43Å; I588-W599 HydrophobicContact CG2-CZ3 4.17Å; T597-W599 WeakPolarHBondContact CG2-O 3.46Å; W599-H799 PolarHBondContact NE1-O 2.87Å; W599-Y802 AromaticContact CD2-CD1 3.9Å; W599-Y802 HydrophobicContact CD2-CD1 3.9Å; W599-Y802 HydrophobicContact CD2-CE1 4.25Å; W599-Y802 AromaticContact CE2-CD1 3.69Å; W599-Y802 HydrophobicContact CE3-CD1 4.14Å; W599-Y802 HydrophobicContact CG-CE1 4.43Å; W599-Y802 HydrophobicContact CH2-CD1 4.15Å; W599-Y802 AromaticContact CZ2-CD1 3.85Å; W599-Y802 HydrophobicContact CZ2-CD1 3.85Å; W599-Y802 HydrophobicContact CZ3-CD1 4.26Å; W599-Y802 VanDerWaalsContact O-CE1 3.27Å; W599-Y802 WeakPolarHBondContact O-CE1 3.42Å; W599-Y802 PolarHBondContact O-OH 3.31Å; W599-W804 WeakPolarHBondContact CH2-O 3.44Å; W599-W804 WeakPolarHBondContact CZ2-O 3.16Å
600	M	97.5	Very high	96.3	Very high	12 Å²	12	20.3 Å²	20.3	6%	0.059	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	-178.3	173.5	-172.1	41.5	65.2	0	0	111.6	V444 L468 T597 L635 S639 L800 Y802	V444-M600 HydrophobicContact CB-CB 4.46Å; V444-M600 PolarHBondContact N-O 2.77Å; V444-M600 PolarHBondContact O-N 3.49Å; L468-M600 HydrophobicContact CD2-CB 3.35Å; L468-M600 HydrophobicContact CD2-CG 4.45Å; T597-M600 HydrophobicContact CG2-CE 4.27Å; M600-L635 HydrophobicContact CE-CB 4.16Å; M600-L635 HydrophobicContact CE-CD1 4.22Å; M600-L635 HydrophobicContact CE-CD2 3.85Å; M600-L635 HydrophobicContact CE-CG 4.3Å; M600-L635 HydrophobicContact SD-CB 4.01Å; M600-L635 HydrophobicContact SD-CD1 4.22Å; M600-S639 WeakPolarHBondContact CE-OG 3.48Å; M600-L800 HydrophobicContact CE-CD1 4.4Å; M600-L800 HydrophobicContact CE-CD2 4.1Å; M600-L800 HydrophobicContact SD-CD1 3.85Å; M600-L800 HydrophobicContact SD-CD2 3.58Å; M600-L800 VanDerWaalsContact SD-CD2 3.58Å; M600-L800 HydrophobicContact SD-CG 4.39Å; M600-Y802 WeakPolarHBondContact CE-OH 3.46Å
601	I	96.3	Very high	96.3	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.7	178.4	-162.7	65.2	0	0	0	109.1	Q441 N442 I443 L603 K796 H799 L800	Q441-I601 HydrophobicContact CB-CD1 3.63Å; N442-I601 WeakPolarHBondContact O-CD1 3.48Å; I443-I601 HydrophobicContact CD1-CD1 4.24Å; I601-L603 PolarHBondContact O-N 3.04Å; I601-L603 VanDerWaalsContact O-N 3.12Å; I601-K796 HydrophobicContact CG1-CB 4.01Å; I601-K796 HydrophobicContact CG1-CG 3.92Å; I601-K796 HydrophobicContact CG2-CB 4.31Å; I601-H799 HydrophobicContact CD1-CB 4.2Å; I601-L800 HydrophobicContact CB-CD2 3.96Å; I601-L800 HydrophobicContact CB-CG 4.46Å; I601-L800 HydrophobicContact CG2-CD1 3.85Å; I601-L800 HydrophobicContact CG2-CD2 3.97Å; I601-L800 HydrophobicContact CG2-CG 4.11Å
602	E	92.6	Very high	96.3	Very high	66 Å²	66	20.4 Å²	20.4	31%	0.308	12%	0.116	S	C	.	.			trans	-64.2	113.1	173.4	-64.6	176.5	135.6	0	0	110.3	N442 V444 K449 K796	N442-E602 HydrophobicContact CB-CG 4.33Å; N442-E602 WeakPolarHBondContact CB-OE2 3.36Å; N442-E602 PolarHBondContact ND2-OE2 2.81Å; V444-E602 HydrophobicContact CG2-CG 3.99Å; K449-E602 VanDerWaalsContact CD-OE1 3.3Å; K449-E602 WeakPolarHBondContact CD-OE1 3.43Å; K449-E602 WeakPolarHBondContact CE-OE1 3.44Å; K449-E602 IonicContact NZ-OE1 3.15Å; K449-E602 PolarHBondContact NZ-OE1 3.04Å; E602-K796 WeakPolarHBondContact O-CD 3.43Å; E602-K796 VanDerWaalsContact O-CE 3.24Å; E602-K796 WeakPolarHBondContact O-CE 3.48Å; E602-K796 PolarHBondContact O-NZ 3.42Å
603	L	93.5	Very high	96.2	Very high	16 Å²	16	20.7 Å²	20.7	8%	0.084	12%	0.117	C	C	.	.			trans	-122.9	96.7	-172.4	-176.7	64.5	0	0	0	111.4	I601 L605 L608 L635 L793	I601-L603 PolarHBondContact O-N 3.04Å; I601-L603 VanDerWaalsContact O-N 3.12Å; L603-L605 PolarHBondContact O-N 3.46Å; L603-L608 HydrophobicContact CD1-CD2 4.3Å; L603-L608 HydrophobicContact CD2-CD2 4.34Å; L603-L635 HydrophobicContact CD2-CB 3.86Å; L603-L793 HydrophobicContact CD1-CD1 3.59Å
604	P	91.3	Very high	95.9	Very high	108 Å²	108	21.2 Å²	21.2	70%	0.701	12%	0.121	S	C	*	.			trans	-83.4	50.5	-177.2	35.6	-37.1	0	0	0	112.3
605	L	92	Very high	95.5	Very high	29 Å²	29	22 Å²	22	15%	0.152	13%	0.125	C	C	.	.			trans	-145.3	97.8	179.2	-74.2	177.4	0	0	0	111	L603 L608 L785 L793	L603-L605 PolarHBondContact O-N 3.46Å; L605-L608 HydrophobicContact CB-CB 4.38Å; L605-L608 HydrophobicContact CB-CD2 3.93Å; L605-L608 HydrophobicContact CD1-CD2 3.92Å; L605-L608 WeakPolarHBondContact O-CB 3.49Å; L605-L785 HydrophobicContact CD1-CD1 4.07Å; L605-L785 HydrophobicContact CD2-CD2 4.47Å; L605-L793 HydrophobicContact CD1-CD1 4.26Å; L605-L793 HydrophobicContact CD1-CD2 3.87Å
606	S	91.8	Very high	95.2	Very high	61 Å²	61	22 Å²	22	43%	0.427	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	153.1	175.9	-40.4	0	0	0	0	112.2	L608 Q636 R679	S606-L608 VanDerWaalsContact C-N 3.27Å; S606-L608 PolarHBondContact O-N 3.18Å; S606-Q636 VanDerWaalsContact CB-OE1 3.31Å; S606-Q636 PolarHBondContact OG-OE1 2.8Å; S606-R679 PolarHBondContact O-NH1 2.84Å
607	G	95.4	Very high	94.7	Very high	5 Å²	5	24 Å²	24	5%	0.052	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	21.7	177	0	0	0	0	0	113.5	D634 Y669 P677 S678 R679	G607-D634 WeakPolarHBondContact CA-OD2 3.42Å; G607-D634 PolarHBondContact N-OD2 3.33Å; G607-Y669 WeakPolarHBondContact CA-OH 3.37Å; G607-P677 CarbonylContact O-C 3.57Å; G607-P677 WeakPolarHBondContact O-CB 3.49Å; G607-S678 PolarHBondContact O-N 2.69Å; G607-R679 PolarHBondContact O-N 3.29Å
608	L	97.7	Very high	94.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.8	-171.7	178	58.4	0	0	0	113	L603 L605 S606 R679 V681 L793	L603-L608 HydrophobicContact CD1-CD2 4.3Å; L603-L608 HydrophobicContact CD2-CD2 4.34Å; L605-L608 HydrophobicContact CB-CB 4.38Å; L605-L608 HydrophobicContact CB-CD2 3.93Å; L605-L608 HydrophobicContact CD1-CD2 3.92Å; L605-L608 WeakPolarHBondContact O-CB 3.49Å; S606-L608 VanDerWaalsContact C-N 3.27Å; S606-L608 PolarHBondContact O-N 3.18Å; L608-R679 HydrophobicContact CD1-CB 3.93Å; L608-V681 HydrophobicContact CD1-CB 4.4Å; L608-V681 HydrophobicContact CD1-CG2 3.88Å; L608-L793 HydrophobicContact CD2-CD1 4.09Å; L608-L793 HydrophobicContact CD2-CD2 4.27Å
609	M	98.6	Very high	93.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	113.2	166.3	-174.6	-171	-164.5	0	0	109.2	I611 A631 A665 L666 Y669 P677 R679 I680 V681	M609-I611 HydrophobicContact CE-CD1 3.9Å; M609-I611 HydrophobicContact CE-CG1 4.2Å; M609-I611 HydrophobicContact CG-CD1 4.32Å; M609-I611 HydrophobicContact CG-CG1 3.99Å; M609-I611 HydrophobicContact SD-CD1 3.88Å; M609-I611 HydrophobicContact SD-CG1 4.21Å; M609-A631 HydrophobicContact CE-CB 3.6Å; M609-A631 HydrophobicContact CG-CB 4.4Å; M609-A665 HydrophobicContact CE-CB 3.36Å; M609-L666 HydrophobicContact CE-CD2 4.35Å; M609-L666 HydrophobicContact SD-CD2 3.79Å; M609-Y669 HydrophobicContact CB-CD2 4.27Å; M609-Y669 HydrophobicContact CB-CE2 4.21Å; M609-Y669 HydrophobicContact CG-CD2 4.39Å; M609-P677 HydrophobicContact CB-CB 3.68Å; M609-P677 HydrophobicContact CB-CG 3.8Å; M609-P677 HydrophobicContact CG-CG 4.42Å; M609-P677 HydrophobicContact SD-CG 3.78Å; M609-R679 PolarHBondContact N-O 3.07Å; M609-I680 HydrophobicContact CB-CG1 4.45Å; M609-I680 VanDerWaalsContact O-CA 3.31Å; M609-I680 WeakPolarHBondContact O-CA 3.38Å; M609-I680 HydrophobicContact SD-CD1 4.49Å; M609-I680 HydrophobicContact SD-CG1 4.47Å; M609-V681 PolarHBondContact O-N 2.85Å
610	T	98.6	Very high	92.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.8	172.1	-51.2	0	0	0	0	109.2	A631 S632 V681 Y683 M797 V813	T610-A631 CarbonylContact O-C 3.52Å; T610-A631 WeakPolarHBondContact O-CA 3.02Å; T610-S632 PolarHBondContact N-OG 3.35Å; T610-S632 PolarHBondContact O-N 2.88Å; T610-V681 CarbonylContact C-O 3.39Å; T610-V681 WeakPolarHBondContact CA-O 3.5Å; T610-V681 HydrophobicContact CG2-CB 4.43Å; T610-Y683 HydrophobicContact CG2-CD2 3.74Å; T610-Y683 HydrophobicContact CG2-CE2 3.58Å; T610-M797 HydrophobicContact CG2-CE 3.94Å; T610-M797 HydrophobicContact CG2-CG 4.35Å; T610-V813 HydrophobicContact CG2-CG1 4.44Å; T610-V813 HydrophobicContact CG2-CG2 4.05Å
611	I	98.7	Very high	91.9	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.8	-176.3	-54.4	-180	0	0	0	109.5	M609 L629 I630 A631 I680 V681 F682 Y683	M609-I611 HydrophobicContact CE-CD1 3.9Å; M609-I611 HydrophobicContact CE-CG1 4.2Å; M609-I611 HydrophobicContact CG-CD1 4.32Å; M609-I611 HydrophobicContact CG-CG1 3.99Å; M609-I611 HydrophobicContact SD-CD1 3.88Å; M609-I611 HydrophobicContact SD-CG1 4.21Å; I611-L629 HydrophobicContact CG2-CD1 3.79Å; I611-L629 HydrophobicContact CG2-CD2 4.09Å; I611-L629 HydrophobicContact CG2-CG 3.76Å; I611-I630 CarbonylContact C-O 3.6Å; I611-I630 VanDerWaalsContact CA-O 3.28Å; I611-I630 WeakPolarHBondContact CA-O 3.38Å; I611-A631 HydrophobicContact CG1-CB 4.15Å; I611-I680 HydrophobicContact CD1-CG2 3.73Å; I611-I680 HydrophobicContact CG1-CG2 4.24Å; I611-V681 PolarHBondContact N-O 2.87Å; I611-F682 HydrophobicContact CB-CD2 3.76Å; I611-F682 HydrophobicContact CB-CE2 4.29Å; I611-F682 HydrophobicContact CB-CG 4.36Å; I611-F682 HydrophobicContact CD1-CD2 4.14Å; I611-F682 HydrophobicContact CG2-CD2 3.58Å; I611-F682 HydrophobicContact CG2-CE2 3.56Å; I611-F682 HydrophobicContact CG2-CG 4.44Å; I611-F682 HydrophobicContact CG2-CZ 4.42Å; I611-Y683 PolarHBondContact O-N 2.96Å
612	G	98.1	Very high	90.8	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.5	171.5	0	0	0	0	0	111.2	L629 I630 Y683	G612-L629 WeakPolarHBondContact O-CA 3.21Å; G612-I630 PolarHBondContact N-O 3.27Å; G612-I630 PolarHBondContact O-N 3.42Å; G612-Y683 WeakPolarHBondContact CA-O 3.41Å
613	F	95.3	Very high	90.3	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.5	-179.7	-173.5	-128.7	0	0	0	110.9	I615 A628 L629 L658 M661 F682 Y683 D685	F613-I615 HydrophobicContact CE1-CD1 3.69Å; F613-I615 HydrophobicContact CE1-CG1 4.03Å; F613-I615 HydrophobicContact CE2-CG1 4.31Å; F613-I615 HydrophobicContact CZ-CD1 3.72Å; F613-I615 HydrophobicContact CZ-CG1 3.81Å; F613-A628 VanDerWaalsContact CD2-O 3.29Å; F613-A628 WeakPolarHBondContact CD2-O 3.28Å; F613-L629 HydrophobicContact CD2-CB 4.19Å; F613-L658 HydrophobicContact CD1-CD1 3.86Å; F613-L658 HydrophobicContact CD1-CD2 4.2Å; F613-L658 HydrophobicContact CD2-CD1 4.03Å; F613-L658 HydrophobicContact CE1-CD1 3.89Å; F613-L658 HydrophobicContact CE1-CD2 4.15Å; F613-L658 HydrophobicContact CE1-CG 4.42Å; F613-L658 HydrophobicContact CE2-CD1 4.07Å; F613-L658 HydrophobicContact CG-CD1 3.97Å; F613-L658 HydrophobicContact CZ-CD1 4.02Å; F613-M661 HydrophobicContact CD2-CE 4.39Å; F613-M661 HydrophobicContact CE2-CE 3.6Å; F613-M661 HydrophobicContact CZ-CE 4.17Å; F613-F682 HydrophobicContact CB-CE1 3.98Å; F613-F682 HydrophobicContact CB-CZ 3.64Å; F613-F682 HydrophobicContact CD1-CZ 4.31Å; F613-F682 HydrophobicContact CG-CZ 4.24Å; F613-Y683 PolarHBondContact N-O 3.25Å; F613-Y683 VanDerWaalsContact N-O 3.07Å; F613-D685 PolarHBondContact O-N 3.23Å
614	D	92.6	Very high	90	Very high	14 Å²	14	56.3 Å²	56.3	8%	0.075	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	159	174.2	-166.5	17.1	0	0	0	109.8	A628 D685 A817 K818	D614-A628 PolarHBondContact N-O 2.89Å; D614-A628 PolarHBondContact O-N 3.36Å; D614-D685 HydrophobicContact CB-CB 4.1Å; D614-A817 HydrophobicContact CB-CB 4.11Å; D614-K818 HydrophobicContact CB-CB 4.25Å; D614-K818 WeakPolarHBondContact OD2-CA 3.42Å; D614-K818 WeakPolarHBondContact OD2-CB 3.47Å; D614-K818 WeakPolarHBondContact OD2-CD 3.29Å; D614-K818 WeakPolarHBondContact OD2-CG 3.49Å
615	I	90.1	Very high	89.9	Confident	36 Å²	36	51.2 Å²	51.2	19%	0.185	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125.9	-166.4	-52.9	178.8	0	0	0	110.7	F613 A625 Y626 V653	F613-I615 HydrophobicContact CE1-CD1 3.69Å; F613-I615 HydrophobicContact CE1-CG1 4.03Å; F613-I615 HydrophobicContact CE2-CG1 4.31Å; F613-I615 HydrophobicContact CZ-CD1 3.72Å; F613-I615 HydrophobicContact CZ-CG1 3.81Å; I615-A625 HydrophobicContact CG2-CB 3.93Å; I615-Y626 WeakPolarHBondContact CA-O 3.42Å; I615-V653 HydrophobicContact CD1-CG1 3.32Å; I615-V653 HydrophobicContact CG2-CG1 4.37Å
616	A	88.9	Confident	89.9	Confident	16 Å²	16	50 Å²	50	13%	0.132	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.3	178.7	0	0	0	0	0	111.6	A625 Y626 A821	A616-A625 CarbonylContact O-C 3.44Å; A616-A625 VanDerWaalsContact O-CA 3.27Å; A616-A625 WeakPolarHBondContact O-CA 3.39Å; A616-Y626 PolarHBondContact N-O 3.25Å; A616-Y626 PolarHBondContact O-N 2.78Å; A616-A821 VanDerWaalsContact CB-C 3.47Å; A616-A821 HydrophobicContact CB-CB 3.8Å; A616-A821 WeakPolarHBondContact CB-O 3.49Å
617	K	87.6	Confident	90	Very high	124 Å²	124	47.1 Å²	47.1	54%	0.539	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	144.2	172	-62.5	-163.5	172.5	-154.2	0	110.5	A625 A650	K617-A625 HydrophobicContact CG-CB 4.42Å; K617-A650 HydrophobicContact CD-CB 4.23Å; K617-A650 HydrophobicContact CG-CB 4.49Å; K617-A650 PolarHBondContact NZ-O 2.66Å
618	S	87.6	Confident	90	Very high	5 Å²	5	46.9 Å²	46.9	4%	0.035	21%	0.207	C	C	.	.			trans	-70.2	133.6	174.9	-171.7	0	0	0	0	110.2	R620 D621 R624 G825 H829	S618-R620 VanDerWaalsContact C-N 3.31Å; S618-D621 WeakPolarHBondContact CB-O 3.2Å; S618-R624 PolarHBondContact N-O 3.38Å; S618-G825 WeakPolarHBondContact CA-O 3.4Å; S618-H829 PolarHBondContact OG-ND1 3.31Å
619	T	83.4	Confident	90	Very high	93 Å²	93	46.8 Å²	46.8	57%	0.571	21%	0.206	S	C	*	.	S	Bend	trans	-73.3	-27	174.6	56.7	0	0	0	0	112	G825 T826 H829	T619-G825 PolarHBondContact N-O 3.13Å; T619-G825 PolarHBondContact OG1-O 3.31Å; T619-T826 HydrophobicContact CG2-CG2 4.23Å; T619-H829 PolarHBondContact OG1-CE1 2.66Å; T619-H829 VanDerWaalsContact OG1-CE1 3.3Å
620	R	79.4	Confident	90	Very high	204 Å²	204	46.8 Å²	46.8	77%	0.77	21%	0.206	S	C	*	.	S	Bend	trans	-78.5	-35.6	179.1	-174.3	179.6	178.9	-153.6	-0.9	113.5	S618	S618-R620 VanDerWaalsContact C-N 3.31Å
621	D	79.5	Confident	90	Very high	49 Å²	49	46.8 Å²	46.8	26%	0.262	21%	0.206	S	C	.	.			trans	-138.7	106.2	-180	-180	-3.5	0	0	0	110.2	S618 K623 R624	S618-D621 WeakPolarHBondContact CB-O 3.2Å; D621-K623 PolarHBondContact O-N 2.74Å; D621-K623 VanDerWaalsContact OD1-CB 3.27Å; D621-K623 WeakPolarHBondContact OD1-CB 3.44Å; D621-K623 WeakPolarHBondContact OD1-CG 3.4Å; D621-K623 PolarHBondContact OD1-N 2.71Å; D621-R624 HydrophobicContact CB-CB 4.48Å; D621-R624 HydrophobicContact CB-CG 4.23Å; D621-R624 PolarHBondContact O-N 2.81Å; D621-R624 WeakPolarHBondContact OD2-CD 3.5Å; D621-R624 WeakPolarHBondContact OD2-CG 3.21Å; D621-R624 IonicContact OD2-CZ 2.68Å; D621-R624 IonicContact OD2-NE 2.66Å; D621-R624 PolarHBondContact OD2-NE 3.11Å
622	R	75	Confident	90	Very high	174 Å²	174	46.8 Å²	46.8	66%	0.657	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.5	-178.1	-63.8	-174.9	-176.2	175.6	6.1	113.8	D288 A650	D288-R622 IonicContact OD2-NH1 2.89Å; D288-R622 PolarHBondContact OD2-NH1 3.27Å; R622-A650 WeakPolarHBondContact O-CB 3.27Å
623	K	81	Confident	89.9	Confident	145 Å²	145	46.8 Å²	46.8	63%	0.63	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.7	174.2	-54.9	-174.1	-180	177.7	0	113	D621 A650 F651	D621-K623 PolarHBondContact O-N 2.74Å; D621-K623 VanDerWaalsContact OD1-CB 3.27Å; D621-K623 WeakPolarHBondContact OD1-CB 3.44Å; D621-K623 WeakPolarHBondContact OD1-CG 3.4Å; D621-K623 PolarHBondContact OD1-N 2.71Å; K623-A650 VanDerWaalsContact C-CB 3.46Å; K623-A650 VanDerWaalsContact O-CB 3.25Å; K623-A650 WeakPolarHBondContact O-CB 3.5Å; K623-A650 PolarHBondContact O-N 2.91Å; K623-F651 HydrophobicContact CB-CE2 3.95Å; K623-F651 HydrophobicContact CG-CE2 3.95Å; K623-F651 HydrophobicContact CG-CZ 4.43Å
624	R	86.9	Confident	89.8	Confident	110 Å²	110	46.5 Å²	46.5	42%	0.415	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.2	-178.2	-63.4	172.6	-166	-117.5	3.7	112.2	S618 D621 E647	S618-R624 PolarHBondContact N-O 3.38Å; D621-R624 HydrophobicContact CB-CB 4.48Å; D621-R624 HydrophobicContact CB-CG 4.23Å; D621-R624 PolarHBondContact O-N 2.81Å; D621-R624 WeakPolarHBondContact OD2-CD 3.5Å; D621-R624 WeakPolarHBondContact OD2-CG 3.21Å; D621-R624 IonicContact OD2-CZ 2.68Å; D621-R624 IonicContact OD2-NE 2.66Å; D621-R624 PolarHBondContact OD2-NE 3.11Å; R624-E647 WeakPolarHBondContact CD-OE1 3.47Å; R624-E647 WeakPolarHBondContact CG-OE1 3.37Å; R624-E647 IonicContact CZ-OE1 2.73Å; R624-E647 IonicContact NE-OE1 3.14Å; R624-E647 IonicContact NH1-OE1 3Å; R624-E647 PolarHBondContact NH1-OE1 3.41Å; R624-E647 IonicContact NH1-OE2 3.03Å
625	A	89.9	Confident	89.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.9	167.4	0	0	0	0	0	110.3	I615 A616 K617 C648 A650	I615-A625 HydrophobicContact CG2-CB 3.93Å; A616-A625 CarbonylContact O-C 3.44Å; A616-A625 VanDerWaalsContact O-CA 3.27Å; A616-A625 WeakPolarHBondContact O-CA 3.39Å; K617-A625 HydrophobicContact CG-CB 4.42Å; A625-C648 PolarHBondContact N-O 3.39Å; A625-C648 PolarHBondContact O-N 2.93Å; A625-C648 VanDerWaalsContact O-O 3.13Å; A625-C648 PolarHBondContact O-SG 2.73Å; A625-C648 VanDerWaalsContact O-SG 3.37Å; A625-A650 HydrophobicContact CB-CB 4.23Å
626	Y	92.6	Very high	89.7	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	119.6	177.1	-63	-77.6	0	0	0	109.3	I615 A616 T646 E647 V824	I615-Y626 WeakPolarHBondContact CA-O 3.42Å; A616-Y626 PolarHBondContact N-O 3.25Å; A616-Y626 PolarHBondContact O-N 2.78Å; Y626-T646 WeakPolarHBondContact CA-O 3.46Å; Y626-E647 HydrophobicContact CD1-CB 3.97Å; Y626-E647 HydrophobicContact CD1-CG 4.07Å; Y626-E647 HydrophobicContact CE1-CB 3.7Å; Y626-E647 HydrophobicContact CE1-CG 3.57Å; Y626-E647 WeakPolarHBondContact CE1-OE2 3.12Å; Y626-E647 VanDerWaalsContact CZ-OE2 3.25Å; Y626-E647 PolarHBondContact OH-OE2 3.04Å; Y626-V824 HydrophobicContact CD1-CG1 3.54Å; Y626-V824 HydrophobicContact CD2-CB 4.46Å; Y626-V824 HydrophobicContact CD2-CG1 3.77Å; Y626-V824 HydrophobicContact CE1-CG1 3.93Å; Y626-V824 HydrophobicContact CE2-CG1 4.11Å; Y626-V824 HydrophobicContact CG-CB 4.25Å; Y626-V824 HydrophobicContact CG-CG1 3.46Å; Y626-V824 VanDerWaalsContact CG-CG1 3.46Å
627	G	93	Very high	89.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.9	171.7	0	0	0	0	0	109.5	V645 T646	G627-V645 WeakPolarHBondContact O-CA 3.2Å; G627-V645 WeakPolarHBondContact O-CG1 3.1Å; G627-T646 PolarHBondContact N-O 2.71Å; G627-T646 PolarHBondContact O-N 3.2Å
628	A	95.6	Very high	89.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126	178.4	0	0	0	0	0	110.5	F613 D614 T644 V645 A817 L820 A821	F613-A628 VanDerWaalsContact CD2-O 3.29Å; F613-A628 WeakPolarHBondContact CD2-O 3.28Å; D614-A628 PolarHBondContact N-O 2.89Å; D614-A628 PolarHBondContact O-N 3.36Å; A628-T644 WeakPolarHBondContact CA-O 3.34Å; A628-V645 HydrophobicContact CB-CG1 4.46Å; A628-V645 HydrophobicContact CB-CG2 4.02Å; A628-A817 WeakPolarHBondContact CB-O 3.22Å; A628-A817 WeakPolarHBondContact O-CB 3.26Å; A628-L820 HydrophobicContact CB-CB 4.03Å; A628-L820 HydrophobicContact CB-CD2 4.06Å; A628-L820 HydrophobicContact CB-CG 3.84Å; A628-A821 HydrophobicContact CB-CB 3.77Å
629	L	97.5	Very high	89.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.8	178	-177.6	146.7	0	0	0	110	I611 G612 F613 A631 S643 T644 L658 M661 I662 A665 F682	I611-L629 HydrophobicContact CG2-CD1 3.79Å; I611-L629 HydrophobicContact CG2-CD2 4.09Å; I611-L629 HydrophobicContact CG2-CG 3.76Å; G612-L629 WeakPolarHBondContact O-CA 3.21Å; F613-L629 HydrophobicContact CD2-CB 4.19Å; L629-A631 HydrophobicContact CD2-CB 4.33Å; L629-S643 WeakPolarHBondContact O-CA 3.45Å; L629-T644 HydrophobicContact CB-CG2 4.16Å; L629-T644 HydrophobicContact CD2-CG2 4.29Å; L629-T644 PolarHBondContact N-O 3.11Å; L629-T644 PolarHBondContact O-N 3.42Å; L629-L658 HydrophobicContact CD1-CD1 3.78Å; L629-M661 HydrophobicContact CB-CB 3.95Å; L629-M661 HydrophobicContact CB-CE 4.33Å; L629-M661 HydrophobicContact CB-SD 4.06Å; L629-M661 HydrophobicContact CD1-CB 3.97Å; L629-M661 HydrophobicContact CG-CB 4.37Å; L629-I662 HydrophobicContact CD1-CG1 3.64Å; L629-A665 HydrophobicContact CD2-CB 4.13Å; L629-F682 HydrophobicContact CD1-CE2 4.33Å
630	I	98.6	Very high	90.2	Very high	0 Å²	0	48 Å²	48	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	134	175.3	-51.7	-63.3	0	0	0	108.5	I611 G612 Y641 F642 V813 Y816 A817 L820 Y842	I611-I630 CarbonylContact C-O 3.6Å; I611-I630 VanDerWaalsContact CA-O 3.28Å; I611-I630 WeakPolarHBondContact CA-O 3.38Å; G612-I630 PolarHBondContact N-O 3.27Å; G612-I630 PolarHBondContact O-N 3.42Å; I630-Y641 HydrophobicContact CG2-CD1 3.98Å; I630-F642 CarbonylContact C-O 3.48Å; I630-F642 WeakPolarHBondContact CA-O 3.31Å; I630-V813 HydrophobicContact CG2-CG1 4.39Å; I630-Y816 HydrophobicContact CG2-CD2 4.42Å; I630-A817 HydrophobicContact CG1-CB 3.88Å; I630-A817 VanDerWaalsContact CG1-N 3.35Å; I630-L820 HydrophobicContact CD1-CD2 3.76Å; I630-Y842 HydrophobicContact CD1-CE1 4.38Å
631	A	98.6	Very high	91.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.8	178.1	0	0	0	0	0	111.7	M609 T610 I611 L629 Y641 F642 A665	M609-A631 HydrophobicContact CE-CB 3.6Å; M609-A631 HydrophobicContact CG-CB 4.4Å; T610-A631 CarbonylContact O-C 3.52Å; T610-A631 WeakPolarHBondContact O-CA 3.02Å; I611-A631 HydrophobicContact CG1-CB 4.15Å; L629-A631 HydrophobicContact CD2-CB 4.33Å; A631-Y641 CarbonylContact O-C 3.57Å; A631-Y641 WeakPolarHBondContact O-CA 3.38Å; A631-Y641 WeakPolarHBondContact O-CB 3.4Å; A631-F642 PolarHBondContact N-O 3.04Å; A631-F642 PolarHBondContact O-N 3.04Å; A631-A665 HydrophobicContact CB-CB 3.88Å
632	S	98.4	Very high	92	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	144.6	173.1	69.6	0	0	0	0	112.6	T610	T610-S632 PolarHBondContact N-OG 3.35Å; T610-S632 PolarHBondContact O-N 2.88Å
633	M	97.4	Very high	93.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-103.4	66.1	-177.6	-64.1	-55.5	170.3	0	0	112.7	N638 T640 F642 A665 Q668 Y669 H673	M633-N638 WeakPolarHBondContact O-CB 3.32Å; M633-T640 PolarHBondContact N-O 3.24Å; M633-F642 HydrophobicContact CE-CB 3.3Å; M633-F642 HydrophobicContact CE-CG 4.05Å; M633-A665 WeakPolarHBondContact CE-O 3.4Å; M633-Q668 HydrophobicContact CE-CB 3.91Å; M633-Q668 HydrophobicContact CE-CG 3.97Å; M633-Y669 WeakPolarHBondContact SD-CA 3.42Å; M633-Y669 WeakPolarHBondContact SD-CB 3.39Å; M633-Y669 HydrophobicContact SD-CD2 3.58Å; M633-Y669 VanDerWaalsContact SD-CD2 3.58Å; M633-Y669 HydrophobicContact SD-CG 3.9Å; M633-H673 PolarHBondContact O-CE1 3.07Å; M633-H673 PolarHBondContact O-NE2 3.42Å
634	D	91.9	Very high	93.9	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	10%	0.103	C	C	.	.			trans	52.7	81.1	-174.9	-157.9	-23.7	0	0	0	113.4	G607 Q636 Q637 N638 Y669	G607-D634 WeakPolarHBondContact CA-OD2 3.42Å; G607-D634 PolarHBondContact N-OD2 3.33Å; D634-Q636 PolarHBondContact O-N 3Å; D634-Q636 PolarHBondContact OD1-N 3.41Å; D634-Q637 PolarHBondContact O-N 3.23Å; D634-N638 CarbonylContact C-O 3.5Å; D634-N638 CarbonylContact O-C 3.22Å; D634-N638 PolarHBondContact O-N 2.79Å; D634-Y669 HydrophobicContact CB-CE2 3.97Å; D634-Y669 WeakPolarHBondContact CB-OH 3.27Å; D634-Y669 PolarHBondContact OD2-OH 3.04Å
635	L	94.3	Very high	94.4	Very high	10 Å²	10	17 Å²	17	5%	0.052	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.4	-174.2	-58	177.4	0	0	0	114.5	M600 L603 Y641 M797 L800	M600-L635 HydrophobicContact CE-CB 4.16Å; M600-L635 HydrophobicContact CE-CD1 4.22Å; M600-L635 HydrophobicContact CE-CD2 3.85Å; M600-L635 HydrophobicContact CE-CG 4.3Å; M600-L635 HydrophobicContact SD-CB 4.01Å; M600-L635 HydrophobicContact SD-CD1 4.22Å; L603-L635 HydrophobicContact CD2-CB 3.86Å; L635-Y641 HydrophobicContact CD2-CE2 3.91Å; L635-M797 HydrophobicContact CD1-CE 3.97Å; L635-L800 HydrophobicContact CD1-CD1 3.73Å
636	Q	86.6	Confident	94.5	Very high	100 Å²	100	18.5 Å²	18.5	47%	0.467	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-28.8	170.2	-170	-177.4	-6	0	0	112.2	S606 D634	S606-Q636 VanDerWaalsContact CB-OE1 3.31Å; S606-Q636 PolarHBondContact OG-OE1 2.8Å; D634-Q636 PolarHBondContact O-N 3Å; D634-Q636 PolarHBondContact OD1-N 3.41Å
637	Q	86.7	Confident	94.5	Very high	126 Å²	126	21.4 Å²	21.4	59%	0.589	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-39.3	-175.7	-59.4	-167.2	-29.4	0	0	112.7	D634	D634-Q637 PolarHBondContact O-N 3.23Å
638	N	85.9	Confident	94.1	Very high	36 Å²	36	22 Å²	22	19%	0.193	11%	0.113	C	C	.	.			trans	-136.3	107.5	-174.1	167.8	1.3	0	0	0	109.2	M633 D634 T640 E672	M633-N638 WeakPolarHBondContact O-CB 3.32Å; D634-N638 CarbonylContact C-O 3.5Å; D634-N638 CarbonylContact O-C 3.22Å; D634-N638 PolarHBondContact O-N 2.79Å; N638-T640 PolarHBondContact O-N 2.79Å; N638-T640 WeakPolarHBondContact OD1-CB 3.42Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.48Å; N638-T640 PolarHBondContact OD1-N 3.29Å; N638-T640 PolarHBondContact OD1-OG1 2.79Å; N638-E672 PolarHBondContact ND2-OE2 3.22Å
639	S	90.3	Very high	93.3	Very high	19 Å²	19	24.2 Å²	24.2	13%	0.133	13%	0.129	C	C	.	.			trans	-79	26.4	-168	-174.7	0	0	0	0	114.1	T597 M600	T597-S639 WeakPolarHBondContact CB-OG 3.31Å; T597-S639 WeakPolarHBondContact CG2-OG 3.31Å; T597-S639 VanDerWaalsContact OG1-CB 3.3Å; T597-S639 WeakPolarHBondContact OG1-CB 3.4Å; T597-S639 PolarHBondContact OG1-O 3.3Å; T597-S639 PolarHBondContact OG1-OG 3.37Å; M600-S639 WeakPolarHBondContact CE-OG 3.48Å
640	T	95.5	Very high	92	Very high	29 Å²	29	24.4 Å²	24.4	18%	0.178	13%	0.13	C	C	.	.			trans	-112.8	169.4	-172.8	70.5	0	0	0	0	113.4	M633 N638 K838	M633-T640 PolarHBondContact N-O 3.24Å; N638-T640 PolarHBondContact O-N 2.79Å; N638-T640 WeakPolarHBondContact OD1-CB 3.42Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.48Å; N638-T640 PolarHBondContact OD1-N 3.29Å; N638-T640 PolarHBondContact OD1-OG1 2.79Å; T640-K838 PolarHBondContact OG1-NZ 2.65Å
641	Y	98.4	Very high	90.4	Very high	7 Å²	7	31.8 Å²	31.8	3%	0.027	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	158.8	-178.2	-65.4	-106.6	0	0	0	110.3	I630 A631 L635 Y802 V813 Y816 K838 F840	I630-Y641 HydrophobicContact CG2-CD1 3.98Å; A631-Y641 CarbonylContact O-C 3.57Å; A631-Y641 WeakPolarHBondContact O-CA 3.38Å; A631-Y641 WeakPolarHBondContact O-CB 3.4Å; L635-Y641 HydrophobicContact CD2-CE2 3.91Å; Y641-Y802 HydrophobicContact CE2-CE2 4.26Å; Y641-V813 HydrophobicContact CD1-CG1 4.21Å; Y641-V813 HydrophobicContact CE1-CG1 3.76Å; Y641-Y816 HydrophobicContact CE1-CE2 4.45Å; Y641-K838 WeakPolarHBondContact O-CE 3.49Å; Y641-F840 HydrophobicContact CD2-CE1 4.17Å; Y641-F840 HydrophobicContact CD2-CE2 4.24Å; Y641-F840 AromaticContact CD2-CZ 3.4Å; Y641-F840 HydrophobicContact CD2-CZ 3.4Å; Y641-F840 AromaticContact CE2-CZ 3.93Å; Y641-F840 HydrophobicContact CE2-CZ 3.93Å; Y641-F840 HydrophobicContact CG-CE1 4.32Å; Y641-F840 AromaticContact CG-CZ 3.96Å; Y641-F840 HydrophobicContact CG-CZ 3.96Å
642	F	98.6	Very high	88.8	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	146.6	168.2	172.8	-96.5	0	0	0	108.9	I630 A631 M633 T644 K664 A665 Q668 E837	I630-F642 CarbonylContact C-O 3.48Å; I630-F642 WeakPolarHBondContact CA-O 3.31Å; A631-F642 PolarHBondContact N-O 3.04Å; A631-F642 PolarHBondContact O-N 3.04Å; M633-F642 HydrophobicContact CE-CB 3.3Å; M633-F642 HydrophobicContact CE-CG 4.05Å; F642-T644 HydrophobicContact CD1-CG2 4.45Å; F642-T644 HydrophobicContact CE1-CG2 3.59Å; F642-T644 HydrophobicContact CZ-CG2 4.23Å; F642-K664 HydrophobicContact CE1-CB 4.13Å; F642-K664 HydrophobicContact CZ-CB 3.81Å; F642-A665 HydrophobicContact CD1-CB 3.62Å; F642-A665 HydrophobicContact CE1-CB 3.83Å; F642-Q668 HydrophobicContact CD2-CB 4.02Å; F642-Q668 HydrophobicContact CD2-CG 3.82Å; F642-Q668 HydrophobicContact CE2-CB 4.29Å; F642-Q668 HydrophobicContact CE2-CG 4.38Å; F642-Q668 HydrophobicContact CG-CB 4.49Å; F642-Q668 HydrophobicContact CG-CG 4.46Å; F642-E837 CarbonylContact C-O 3.54Å; F642-E837 WeakPolarHBondContact CA-O 3.36Å; F642-E837 HydrophobicContact CD2-CB 3.89Å; F642-E837 HydrophobicContact CE2-CB 3.7Å; F642-E837 HydrophobicContact CE2-CG 3.95Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.15Å; F642-E837 HydrophobicContact CZ-CG 4.39Å
643	S	98.2	Very high	86.9	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	126.8	-175.6	60.7	0	0	0	0	111.2	L629 E837	L629-S643 WeakPolarHBondContact O-CA 3.45Å; S643-E837 PolarHBondContact N-O 3.45Å; S643-E837 WeakPolarHBondContact O-CA 3.38Å; S643-E837 WeakPolarHBondContact O-CG 3.15Å; S643-E837 PolarHBondContact OG-O 2.66Å
644	T	97.6	Very high	85.2	Confident	9 Å²	9	40.4 Å²	40.4	6%	0.055	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.7	-178.8	-175.1	0	0	0	0	110.2	A628 L629 F642 M661 K664	A628-T644 WeakPolarHBondContact CA-O 3.34Å; L629-T644 HydrophobicContact CB-CG2 4.16Å; L629-T644 HydrophobicContact CD2-CG2 4.29Å; L629-T644 PolarHBondContact N-O 3.11Å; L629-T644 PolarHBondContact O-N 3.42Å; F642-T644 HydrophobicContact CD1-CG2 4.45Å; F642-T644 HydrophobicContact CE1-CG2 3.59Å; F642-T644 HydrophobicContact CZ-CG2 4.23Å; T644-M661 HydrophobicContact CG2-CB 3.56Å; T644-M661 HydrophobicContact CG2-CG 3.63Å; T644-M661 HydrophobicContact CG2-SD 3.99Å; T644-K664 PolarHBondContact OG1-NZ 2.86Å; T644-K664 VanDerWaalsContact OG1-NZ 3.08Å
645	V	95.9	Very high	83.3	Confident	9 Å²	9	42.1 Å²	42.1	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.9	-178.4	-168.6	0	0	0	0	109.9	G627 A628 L820 V824	G627-V645 WeakPolarHBondContact O-CA 3.2Å; G627-V645 WeakPolarHBondContact O-CG1 3.1Å; A628-V645 HydrophobicContact CB-CG1 4.46Å; A628-V645 HydrophobicContact CB-CG2 4.02Å; V645-L820 HydrophobicContact CG2-CD1 3.73Å; V645-L820 HydrophobicContact CG2-CD2 3.53Å; V645-L820 HydrophobicContact CG2-CG 3.46Å; V645-L820 VanDerWaalsContact CG2-CG 3.46Å; V645-V824 HydrophobicContact CG1-CB 4.45Å; V645-V824 HydrophobicContact CG1-CG1 4.3Å; V645-V824 HydrophobicContact CG1-CG2 4.16Å; V645-V824 HydrophobicContact CG2-CG2 4.21Å
646	T	93.6	Very high	81.9	Confident	33 Å²	33	46.8 Å²	46.8	20%	0.202	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	156.3	170	-165.8	0	0	0	0	111	Y626 G627 M661	Y626-T646 WeakPolarHBondContact CA-O 3.46Å; G627-T646 PolarHBondContact N-O 2.71Å; G627-T646 PolarHBondContact O-N 3.2Å; T646-M661 HydrophobicContact CG2-CE 3.52Å; T646-M661 HydrophobicContact CG2-SD 3.79Å
647	E	91.1	Very high	81.5	Confident	65 Å²	65	43.9 Å²	43.9	30%	0.304	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	141.8	168.7	-165.2	170.4	121.5	0	0	109.9	R624 Y626	R624-E647 WeakPolarHBondContact CD-OE1 3.47Å; R624-E647 WeakPolarHBondContact CG-OE1 3.37Å; R624-E647 IonicContact CZ-OE1 2.73Å; R624-E647 IonicContact NE-OE1 3.14Å; R624-E647 IonicContact NH1-OE1 3Å; R624-E647 PolarHBondContact NH1-OE1 3.41Å; R624-E647 IonicContact NH1-OE2 3.03Å; Y626-E647 HydrophobicContact CD1-CB 3.97Å; Y626-E647 HydrophobicContact CD1-CG 4.07Å; Y626-E647 HydrophobicContact CE1-CB 3.7Å; Y626-E647 HydrophobicContact CE1-CG 3.57Å; Y626-E647 WeakPolarHBondContact CE1-OE2 3.12Å; Y626-E647 VanDerWaalsContact CZ-OE2 3.25Å; Y626-E647 PolarHBondContact OH-OE2 3.04Å
648	C	84.5	Confident	81.6	Confident	13 Å²	13	38.7 Å²	38.7	9%	0.088	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	166.1	179.8	63.2	0	0	0	0	111.1	A625	A625-C648 PolarHBondContact N-O 3.39Å; A625-C648 PolarHBondContact O-N 2.93Å; A625-C648 VanDerWaalsContact O-O 3.13Å; A625-C648 PolarHBondContact O-SG 2.73Å; A625-C648 VanDerWaalsContact O-SG 3.37Å
649	S	80.1	Confident	82	Confident	47 Å²	47	38.4 Å²	38.4	33%	0.329	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	135.9	175.6	175.2	0	0	0	0	110.7	F651 D652 V653	S649-F651 PolarHBondContact O-N 3.22Å; S649-F651 PolarHBondContact OG-N 3.07Å; S649-D652 WeakPolarHBondContact CB-O 3.29Å; S649-D652 CarbonylContact O-C 3.59Å; S649-D652 PolarHBondContact OG-N 3.5Å; S649-V653 WeakPolarHBondContact O-CG2 3.41Å
650	A	70.8	Confident	82.2	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.033	23%	0.226	C	C	.	.	S	Bend	trans	-76.3	-1.5	173	0	0	0	0	0	113.6	K617 R622 K623 A625	K617-A650 HydrophobicContact CD-CB 4.23Å; K617-A650 HydrophobicContact CG-CB 4.49Å; K617-A650 PolarHBondContact NZ-O 2.66Å; R622-A650 WeakPolarHBondContact O-CB 3.27Å; K623-A650 VanDerWaalsContact C-CB 3.46Å; K623-A650 VanDerWaalsContact O-CB 3.25Å; K623-A650 WeakPolarHBondContact O-CB 3.5Å; K623-A650 PolarHBondContact O-N 2.91Å; A625-A650 HydrophobicContact CB-CB 4.23Å
651	F	63.1	Low	82.2	Confident	154 Å²	154	39.6 Å²	39.6	68%	0.675	22%	0.218	S	C	*	.	S	Bend	trans	-111.4	-41.3	176.5	-54.8	-74.1	0	0	0	112	K623 S649	K623-F651 HydrophobicContact CB-CE2 3.95Å; K623-F651 HydrophobicContact CG-CE2 3.95Å; K623-F651 HydrophobicContact CG-CZ 4.43Å; S649-F651 PolarHBondContact O-N 3.22Å; S649-F651 PolarHBondContact OG-N 3.07Å
652	D	65.5	Low	82.1	Confident	84 Å²	84	39.4 Å²	39.4	45%	0.449	22%	0.218	S	C	.	.			trans	-109	89.5	170.4	-173.2	-2.4	0	0	0	109.7	S649 L654 A655	S649-D652 WeakPolarHBondContact CB-O 3.29Å; S649-D652 CarbonylContact O-C 3.59Å; S649-D652 PolarHBondContact OG-N 3.5Å; D652-L654 VanDerWaalsContact C-N 3.32Å; D652-L654 PolarHBondContact OD1-N 3.48Å; D652-L654 VanDerWaalsContact OD1-N 3.13Å; D652-A655 HydrophobicContact CB-CB 4.5Å; D652-A655 PolarHBondContact OD1-N 2.78Å
653	V	59.9	Low	82.1	Confident	50 Å²	50	39.6 Å²	39.6	30%	0.303	22%	0.22	S	C	.	.	S	Bend	trans	-87	-8.4	-177.8	-178.3	0	0	0	0	111.2	I615 S649	I615-V653 HydrophobicContact CD1-CG1 3.32Å; I615-V653 HydrophobicContact CG2-CG1 4.37Å; S649-V653 WeakPolarHBondContact O-CG2 3.41Å
654	L	61.2	Low	82	Confident	49 Å²	49	42.7 Å²	42.7	26%	0.257	23%	0.233	S	C	.	.	S	Bend	trans	-97.2	-13.5	-179.7	-61	174.6	0	0	0	112.2	D652 Q694 L695 F698 E699	D652-L654 VanDerWaalsContact C-N 3.32Å; D652-L654 PolarHBondContact OD1-N 3.48Å; D652-L654 VanDerWaalsContact OD1-N 3.13Å; L654-Q694 HydrophobicContact CD1-CB 3.84Å; L654-L695 HydrophobicContact CD2-CD1 3.96Å; L654-F698 HydrophobicContact CB-CB 4.46Å; L654-F698 HydrophobicContact CD1-CD2 4.15Å; L654-E699 HydrophobicContact CD2-CG 4.23Å
655	A	52.5	Low	82.1	Confident	37 Å²	37	42.2 Å²	42.2	31%	0.306	23%	0.23	S	C	.	.	S	Bend	trans	-49.1	137.3	174.6	0	0	0	0	0	113.2	D652 T657	D652-A655 HydrophobicContact CB-CB 4.5Å; D652-A655 PolarHBondContact OD1-N 2.78Å; A655-T657 PolarHBondContact O-N 2.88Å; A655-T657 PolarHBondContact O-OG1 2.93Å; A655-T657 VanDerWaalsContact O-OG1 3.11Å
656	N	63.3	Low	82.2	Confident	107 Å²	107	42 Å²	42	57%	0.572	23%	0.229	S	C	*	.	S	Bend	trans	-53.6	33.9	-163.8	-155	-13.4	0	0	0	118.5	K706	N656-K706 PolarHBondContact OD1-NZ 2.79Å
657	T	79.3	Confident	82.4	Confident	40 Å²	40	47.4 Å²	47.4	25%	0.245	25%	0.245	C	C	.	.			trans	-93.8	-16.7	-175.9	60	0	0	0	0	113.2	A655	A655-T657 PolarHBondContact O-N 2.88Å; A655-T657 PolarHBondContact O-OG1 2.93Å; A655-T657 VanDerWaalsContact O-OG1 3.11Å
658	L	89.2	Confident	82.8	Confident	16 Å²	16	46.8 Å²	46.8	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-44.3	177.1	175.1	56	0	0	0	112.2	F613 L629 M661 I662 F682 E699 I703	F613-L658 HydrophobicContact CD1-CD1 3.86Å; F613-L658 HydrophobicContact CD1-CD2 4.2Å; F613-L658 HydrophobicContact CD2-CD1 4.03Å; F613-L658 HydrophobicContact CE1-CD1 3.89Å; F613-L658 HydrophobicContact CE1-CD2 4.15Å; F613-L658 HydrophobicContact CE1-CG 4.42Å; F613-L658 HydrophobicContact CE2-CD1 4.07Å; F613-L658 HydrophobicContact CG-CD1 3.97Å; F613-L658 HydrophobicContact CZ-CD1 4.02Å; L629-L658 HydrophobicContact CD1-CD1 3.78Å; L658-M661 HydrophobicContact CD1-CE 4.27Å; L658-M661 WeakPolarHBondContact O-CB 3.46Å; L658-M661 PolarHBondContact O-N 2.58Å; L658-M661 VanDerWaalsContact O-N 3.1Å; L658-I662 HydrophobicContact CD1-CD1 4.18Å; L658-I662 HydrophobicContact CD1-CG1 4.28Å; L658-I662 HydrophobicContact CG-CD1 3.96Å; L658-I662 HydrophobicContact CG-CG1 4.5Å; L658-I662 PolarHBondContact O-N 2.69Å; L658-F682 HydrophobicContact CD1-CE2 4.33Å; L658-F682 HydrophobicContact CD1-CZ 4.05Å; L658-F682 HydrophobicContact CD2-CZ 4.06Å; L658-E699 HydrophobicContact CD2-CG 4.2Å; L658-I703 HydrophobicContact CD2-CD1 3.99Å
659	W	93.2	Very high	83.4	Confident	30 Å²	30	46.1 Å²	46.1	11%	0.114	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-46.9	-174.2	173.8	-100.8	0	0	0	114.4	M661 I662 A663 L666 K706 L707 E710	W659-M661 PolarHBondContact O-N 2.9Å; W659-M661 VanDerWaalsContact O-N 3.11Å; W659-I662 HydrophobicContact CE3-CB 4.16Å; W659-I662 HydrophobicContact CE3-CD1 4.33Å; W659-I662 HydrophobicContact CE3-CG2 4.22Å; W659-I662 HydrophobicContact CH2-CG2 4.39Å; W659-I662 HydrophobicContact CZ3-CB 4.27Å; W659-I662 HydrophobicContact CZ3-CG2 3.83Å; W659-I662 WeakPolarHBondContact O-CB 3.44Å; W659-I662 PolarHBondContact O-N 2.85Å; W659-A663 HydrophobicContact CZ2-CB 4.12Å; W659-A663 PolarHBondContact O-N 3.47Å; W659-L666 HydrophobicContact CH2-CD1 4.32Å; W659-K706 HydrophobicContact CB-CD 3.98Å; W659-K706 HydrophobicContact CD2-CB 3.65Å; W659-K706 HydrophobicContact CD2-CD 3.41Å; W659-K706 VanDerWaalsContact CD2-CD 3.41Å; W659-K706 HydrophobicContact CD2-CG 4.18Å; W659-K706 HydrophobicContact CE3-CB 3.59Å; W659-K706 HydrophobicContact CE3-CD 3.94Å; W659-K706 HydrophobicContact CE3-CG 4.44Å; W659-K706 HydrophobicContact CG-CB 4.49Å; W659-K706 HydrophobicContact CG-CD 3.34Å; W659-K706 HydrophobicContact CH2-CB 3.58Å; W659-K706 WeakPolarHBondContact CH2-O 3.45Å; W659-K706 HydrophobicContact CZ2-CB 3.63Å; W659-K706 HydrophobicContact CZ3-CB 3.55Å; W659-L707 HydrophobicContact CH2-CD2 4.38Å; W659-L707 HydrophobicContact CZ3-CD2 4.39Å; W659-L707 HydrophobicContact CZ3-CG 4.26Å; W659-E710 HydrophobicContact CH2-CG 3.78Å; W659-E710 HydrophobicContact CZ2-CG 3.42Å; W659-E710 VanDerWaalsContact CZ2-CG 3.42Å
660	P	94.3	Very high	84.2	Confident	68 Å²	68	47.2 Å²	47.2	44%	0.442	24%	0.238	S	C	.	.	H	α-helix	trans	-53.2	-32.9	174.8	-29.6	36.1	0	0	0	114.3	K664	P660-K664 WeakPolarHBondContact O-CG 3.18Å; P660-K664 PolarHBondContact O-N 3.37Å
661	M	96.1	Very high	85.5	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-72.6	-38	176.7	-65.8	-171.5	-70.1	0	0	112.5	F613 L629 T644 T646 L658 W659 A665	F613-M661 HydrophobicContact CD2-CE 4.39Å; F613-M661 HydrophobicContact CE2-CE 3.6Å; F613-M661 HydrophobicContact CZ-CE 4.17Å; L629-M661 HydrophobicContact CB-CB 3.95Å; L629-M661 HydrophobicContact CB-CE 4.33Å; L629-M661 HydrophobicContact CB-SD 4.06Å; L629-M661 HydrophobicContact CD1-CB 3.97Å; L629-M661 HydrophobicContact CG-CB 4.37Å; T644-M661 HydrophobicContact CG2-CB 3.56Å; T644-M661 HydrophobicContact CG2-CG 3.63Å; T644-M661 HydrophobicContact CG2-SD 3.99Å; T646-M661 HydrophobicContact CG2-CE 3.52Å; T646-M661 HydrophobicContact CG2-SD 3.79Å; L658-M661 HydrophobicContact CD1-CE 4.27Å; L658-M661 WeakPolarHBondContact O-CB 3.46Å; L658-M661 PolarHBondContact O-N 2.58Å; L658-M661 VanDerWaalsContact O-N 3.1Å; W659-M661 PolarHBondContact O-N 2.9Å; W659-M661 VanDerWaalsContact O-N 3.11Å; M661-A665 WeakPolarHBondContact O-CB 3.38Å; M661-A665 PolarHBondContact O-N 3.49Å; M661-A665 VanDerWaalsContact O-N 3.11Å
662	I	97.1	Very high	87.1	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-46.6	172.7	-62.3	171.2	0	0	0	109.9	L629 L658 W659 K664 A665 L666 F682 I703	L629-I662 HydrophobicContact CD1-CG1 3.64Å; L658-I662 HydrophobicContact CD1-CD1 4.18Å; L658-I662 HydrophobicContact CD1-CG1 4.28Å; L658-I662 HydrophobicContact CG-CD1 3.96Å; L658-I662 HydrophobicContact CG-CG1 4.5Å; L658-I662 PolarHBondContact O-N 2.69Å; W659-I662 HydrophobicContact CE3-CB 4.16Å; W659-I662 HydrophobicContact CE3-CD1 4.33Å; W659-I662 HydrophobicContact CE3-CG2 4.22Å; W659-I662 HydrophobicContact CH2-CG2 4.39Å; W659-I662 HydrophobicContact CZ3-CB 4.27Å; W659-I662 HydrophobicContact CZ3-CG2 3.83Å; W659-I662 WeakPolarHBondContact O-CB 3.44Å; W659-I662 PolarHBondContact O-N 2.85Å; I662-K664 PolarHBondContact O-N 2.89Å; I662-A665 PolarHBondContact O-N 3.49Å; I662-A665 VanDerWaalsContact O-N 3.12Å; I662-L666 HydrophobicContact CG2-CD1 3.96Å; I662-L666 HydrophobicContact CG2-CG 4.32Å; I662-L666 WeakPolarHBondContact O-CG 3.41Å; I662-L666 PolarHBondContact O-N 3.07Å; I662-F682 HydrophobicContact CD1-CE2 3.99Å; I662-F682 HydrophobicContact CG1-CE2 4.36Å; I662-I703 HydrophobicContact CD1-CD1 3.79Å; I662-I703 HydrophobicContact CD1-CG1 3.77Å
663	A	97	Very high	88.5	Confident	6 Å²	6	45.3 Å²	45.3	5%	0.05	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-41.9	179	0	0	0	0	0	112.7	W659 L666 R667	W659-A663 HydrophobicContact CZ2-CB 4.12Å; W659-A663 PolarHBondContact O-N 3.47Å; A663-L666 PolarHBondContact O-N 3.14Å; A663-R667 VanDerWaalsContact O-CG 3.28Å; A663-R667 WeakPolarHBondContact O-CG 3.5Å; A663-R667 PolarHBondContact O-N 3.2Å
664	K	97.8	Very high	90.2	Very high	67 Å²	67	52.6 Å²	52.6	29%	0.291	25%	0.25	S	C	.	.	H	α-helix	trans	-59.4	-45.7	171.4	-75.4	176.5	71.1	-169.3	0	111.7	F642 T644 P660 I662 R667 Q668 E837	F642-K664 HydrophobicContact CE1-CB 4.13Å; F642-K664 HydrophobicContact CZ-CB 3.81Å; T644-K664 PolarHBondContact OG1-NZ 2.86Å; T644-K664 VanDerWaalsContact OG1-NZ 3.08Å; P660-K664 WeakPolarHBondContact O-CG 3.18Å; P660-K664 PolarHBondContact O-N 3.37Å; I662-K664 PolarHBondContact O-N 2.89Å; K664-R667 PolarHBondContact O-N 3.42Å; K664-Q668 PolarHBondContact O-N 2.98Å; K664-E837 VanDerWaalsContact CE-OE1 3.28Å; K664-E837 WeakPolarHBondContact CE-OE1 3.41Å; K664-E837 IonicContact NZ-OE1 2.71Å; K664-E837 PolarHBondContact NZ-OE1 3.17Å
665	A	98.4	Very high	91.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-38.6	-179.5	0	0	0	0	0	112.7	M609 L629 A631 M633 F642 M661 I662 Q668 Y669	M609-A665 HydrophobicContact CE-CB 3.36Å; L629-A665 HydrophobicContact CD2-CB 4.13Å; A631-A665 HydrophobicContact CB-CB 3.88Å; M633-A665 WeakPolarHBondContact CE-O 3.4Å; F642-A665 HydrophobicContact CD1-CB 3.62Å; F642-A665 HydrophobicContact CE1-CB 3.83Å; M661-A665 WeakPolarHBondContact O-CB 3.38Å; M661-A665 PolarHBondContact O-N 3.49Å; M661-A665 VanDerWaalsContact O-N 3.11Å; I662-A665 PolarHBondContact O-N 3.49Å; I662-A665 VanDerWaalsContact O-N 3.12Å; A665-Q668 PolarHBondContact O-N 3.26Å; A665-Y669 WeakPolarHBondContact O-CB 3.44Å; A665-Y669 PolarHBondContact O-N 3.14Å
666	L	98.5	Very high	94.1	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-43.6	174.1	-72.4	169.8	0	0	0	112	M609 W659 I662 A663 Y669 Q670 L676 P677 I680 L707 Y711	M609-L666 HydrophobicContact CE-CD2 4.35Å; M609-L666 HydrophobicContact SD-CD2 3.79Å; W659-L666 HydrophobicContact CH2-CD1 4.32Å; I662-L666 HydrophobicContact CG2-CD1 3.96Å; I662-L666 HydrophobicContact CG2-CG 4.32Å; I662-L666 WeakPolarHBondContact O-CG 3.41Å; I662-L666 PolarHBondContact O-N 3.07Å; A663-L666 PolarHBondContact O-N 3.14Å; L666-Y669 WeakPolarHBondContact O-CB 3.47Å; L666-Y669 PolarHBondContact O-N 2.86Å; L666-Q670 PolarHBondContact O-N 3.28Å; L666-L676 HydrophobicContact CB-CD2 4.17Å; L666-L676 HydrophobicContact CD2-CD2 4.37Å; L666-P677 HydrophobicContact CD2-CG 3.82Å; L666-I680 HydrophobicContact CD2-CD1 4.09Å; L666-L707 HydrophobicContact CD1-CD2 3.77Å; L666-Y711 HydrophobicContact CD1-CE2 4.39Å; L666-Y711 HydrophobicContact CD2-CE2 4.29Å
667	R	98	Very high	95.7	Very high	145 Å²	145	48.3 Å²	48.3	55%	0.547	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-41.3	175.9	-69.8	169.7	-169.2	-176.2	3.2	111.9	A663 K664 Q670 H671	A663-R667 VanDerWaalsContact O-CG 3.28Å; A663-R667 WeakPolarHBondContact O-CG 3.5Å; A663-R667 PolarHBondContact O-N 3.2Å; K664-R667 PolarHBondContact O-N 3.42Å; R667-Q670 PolarHBondContact O-N 3.4Å; R667-H671 WeakPolarHBondContact O-CB 3.48Å; R667-H671 PolarHBondContact O-N 2.93Å
668	Q	98.2	Very high	96.6	Very high	52 Å²	52	49.8 Å²	49.8	24%	0.243	23%	0.23	C	C	.	.	H	α-helix	trans	-65.4	-40.5	175.8	-171.3	62.6	31.7	0	0	111.9	M633 F642 K664 A665 H671 E672 K838	M633-Q668 HydrophobicContact CE-CB 3.91Å; M633-Q668 HydrophobicContact CE-CG 3.97Å; F642-Q668 HydrophobicContact CD2-CB 4.02Å; F642-Q668 HydrophobicContact CD2-CG 3.82Å; F642-Q668 HydrophobicContact CE2-CB 4.29Å; F642-Q668 HydrophobicContact CE2-CG 4.38Å; F642-Q668 HydrophobicContact CG-CB 4.49Å; F642-Q668 HydrophobicContact CG-CG 4.46Å; K664-Q668 PolarHBondContact O-N 2.98Å; A665-Q668 PolarHBondContact O-N 3.26Å; Q668-H671 PolarHBondContact O-N 2.86Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.45Å; Q668-E672 PolarHBondContact NE2-OE1 3.34Å; Q668-E672 PolarHBondContact O-N 3.33Å; Q668-E672 VanDerWaalsContact O-N 3.09Å; Q668-K838 HydrophobicContact CG-CD 4.16Å
669	Y	98.1	Very high	97	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-49.4	173	-170.5	-72	0	0	0	110.7	G607 M609 M633 D634 A665 L666 H671 E672 H673 K675 P677	G607-Y669 WeakPolarHBondContact CA-OH 3.37Å; M609-Y669 HydrophobicContact CB-CD2 4.27Å; M609-Y669 HydrophobicContact CB-CE2 4.21Å; M609-Y669 HydrophobicContact CG-CD2 4.39Å; M633-Y669 WeakPolarHBondContact SD-CA 3.42Å; M633-Y669 WeakPolarHBondContact SD-CB 3.39Å; M633-Y669 HydrophobicContact SD-CD2 3.58Å; M633-Y669 VanDerWaalsContact SD-CD2 3.58Å; M633-Y669 HydrophobicContact SD-CG 3.9Å; D634-Y669 HydrophobicContact CB-CE2 3.97Å; D634-Y669 WeakPolarHBondContact CB-OH 3.27Å; D634-Y669 PolarHBondContact OD2-OH 3.04Å; A665-Y669 WeakPolarHBondContact O-CB 3.44Å; A665-Y669 PolarHBondContact O-N 3.14Å; L666-Y669 WeakPolarHBondContact O-CB 3.47Å; L666-Y669 PolarHBondContact O-N 2.86Å; Y669-H671 VanDerWaalsContact C-N 3.31Å; Y669-H671 PolarHBondContact O-N 3.3Å; Y669-E672 PolarHBondContact O-N 3.41Å; Y669-H673 HydrophobicContact CD1-CB 4.13Å; Y669-H673 HydrophobicContact CE1-CB 3.92Å; Y669-H673 AromaticContact CE1-CD2 3.98Å; Y669-H673 WeakPolarHBondContact O-CB 3.25Å; Y669-H673 PolarHBondContact O-N 2.94Å; Y669-K675 VanDerWaalsContact CD1-O 3.24Å; Y669-K675 WeakPolarHBondContact CD1-O 3.39Å; Y669-K675 WeakPolarHBondContact CE1-O 3.48Å; Y669-P677 HydrophobicContact CD1-CB 4.27Å; Y669-P677 VanDerWaalsContact CD1-CD 3.49Å; Y669-P677 HydrophobicContact CD1-CG 4.22Å; Y669-P677 HydrophobicContact CD2-CB 4.24Å; Y669-P677 HydrophobicContact CD2-CG 4.3Å; Y669-P677 HydrophobicContact CE1-CB 3.83Å; Y669-P677 HydrophobicContact CE1-CG 4.27Å; Y669-P677 HydrophobicContact CE2-CB 3.8Å; Y669-P677 HydrophobicContact CE2-CG 4.37Å; Y669-P677 HydrophobicContact CG-CB 4.47Å; Y669-P677 HydrophobicContact CG-CG 4.25Å
670	Q	97.2	Very high	97.2	Very high	70 Å²	70	51.1 Å²	51.1	33%	0.327	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-34.2	178.7	-167.5	-177.5	4.2	0	0	112.9	L666 R667 R674 K675 L676	L666-Q670 PolarHBondContact O-N 3.28Å; R667-Q670 PolarHBondContact O-N 3.4Å; Q670-R674 WeakPolarHBondContact O-CA 3.42Å; Q670-R674 PolarHBondContact O-N 3.36Å; Q670-K675 WeakPolarHBondContact CA-O 3.33Å; Q670-L676 HydrophobicContact CB-CD2 4.05Å; Q670-L676 HydrophobicContact CG-CD2 4.49Å
671	H	97	Very high	97.4	Very high	120 Å²	120	47.9 Å²	47.9	56%	0.556	21%	0.213	S	C	*	.	H	α-helix	trans	-64.9	-45.9	175.4	-176.1	91	0	0	0	111.8	R667 Q668 Y669	R667-H671 WeakPolarHBondContact O-CB 3.48Å; R667-H671 PolarHBondContact O-N 2.93Å; Q668-H671 PolarHBondContact O-N 2.86Å; Y669-H671 VanDerWaalsContact C-N 3.31Å; Y669-H671 PolarHBondContact O-N 3.3Å
672	E	96.4	Very high	97.5	Very high	57 Å²	57	47.7 Å²	47.7	27%	0.266	21%	0.212	S	C	.	.	H	α-helix	trans	-74.7	-36.8	-179.4	-73.3	172.6	-136	0	0	113.3	N638 Q668 Y669 K838	N638-E672 PolarHBondContact ND2-OE2 3.22Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.45Å; Q668-E672 PolarHBondContact NE2-OE1 3.34Å; Q668-E672 PolarHBondContact O-N 3.33Å; Q668-E672 VanDerWaalsContact O-N 3.09Å; Y669-E672 PolarHBondContact O-N 3.41Å; E672-K838 WeakPolarHBondContact OE1-CD 3.38Å; E672-K838 VanDerWaalsContact OE1-CE 3.26Å; E672-K838 WeakPolarHBondContact OE1-CE 3.46Å; E672-K838 IonicContact OE1-NZ 2.81Å; E672-K838 PolarHBondContact OE1-NZ 2.99Å; E672-K838 IonicContact OE2-NZ 3.67Å; E672-K838 PolarHBondContact OE2-NZ 3.42Å
673	H	95.9	Very high	97.6	Very high	25 Å²	25	47.6 Å²	47.6	12%	0.116	21%	0.211	C	C	.	.	H	α-helix	trans	-107.5	-3.9	-171.4	-72.4	-77.1	0	0	0	115.2	M633 Y669 K675	M633-H673 PolarHBondContact O-CE1 3.07Å; M633-H673 PolarHBondContact O-NE2 3.42Å; Y669-H673 HydrophobicContact CD1-CB 4.13Å; Y669-H673 HydrophobicContact CE1-CB 3.92Å; Y669-H673 AromaticContact CE1-CD2 3.98Å; Y669-H673 WeakPolarHBondContact O-CB 3.25Å; Y669-H673 PolarHBondContact O-N 2.94Å; H673-K675 HydrophobicContact CB-CG 4.08Å; H673-K675 WeakPolarHBondContact O-CG 3.44Å; H673-K675 PolarHBondContact O-N 3.12Å
674	R	96.3	Very high	97.5	Very high	202 Å²	202	47.7 Å²	47.7	76%	0.762	21%	0.21	S	C	*	.	S	Bend	trans	57.3	7.9	-173.3	-51.5	-54.8	-174.9	176.3	0.2	115.6	Q670	Q670-R674 WeakPolarHBondContact O-CA 3.42Å; Q670-R674 PolarHBondContact O-N 3.36Å
675	K	95.9	Very high	96.9	Very high	89 Å²	89	44.7 Å²	44.7	39%	0.387	20%	0.197	S	C	.	.	S	Bend	trans	-143.3	154.4	-179.1	69.4	-159.6	172.8	-168.4	0	109.8	Y669 Q670 H673	Y669-K675 VanDerWaalsContact CD1-O 3.24Å; Y669-K675 WeakPolarHBondContact CD1-O 3.39Å; Y669-K675 WeakPolarHBondContact CE1-O 3.48Å; Q670-K675 WeakPolarHBondContact CA-O 3.33Å; H673-K675 HydrophobicContact CB-CG 4.08Å; H673-K675 WeakPolarHBondContact O-CG 3.44Å; H673-K675 PolarHBondContact O-N 3.12Å
676	L	98.1	Very high	95.7	Very high	14 Å²	14	47.4 Å²	47.4	7%	0.073	23%	0.225	C	C	.	.			trans	-76.6	157.1	168.1	-73.8	175.8	0	0	0	111.1	L666 Q670 S678 Y711 V714	L666-L676 HydrophobicContact CB-CD2 4.17Å; L666-L676 HydrophobicContact CD2-CD2 4.37Å; Q670-L676 HydrophobicContact CB-CD2 4.05Å; Q670-L676 HydrophobicContact CG-CD2 4.49Å; L676-S678 PolarHBondContact O-N 3.03Å; L676-Y711 HydrophobicContact CB-CD1 4.33Å; L676-Y711 HydrophobicContact CB-CE1 3.63Å; L676-Y711 HydrophobicContact CD1-CD1 3.83Å; L676-Y711 HydrophobicContact CD1-CD2 3.85Å; L676-Y711 HydrophobicContact CD1-CE1 3.82Å; L676-Y711 HydrophobicContact CD1-CE2 3.85Å; L676-Y711 HydrophobicContact CD1-CG 3.85Å; L676-Y711 HydrophobicContact CG-CE1 4.35Å; L676-V714 HydrophobicContact CD1-CG2 3.53Å; L676-V714 HydrophobicContact CG-CG2 4.44Å
677	P	97.9	Very high	94.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.			trans	-69	130.1	177	24.8	-29.1	0	0	0	111.2	G607 M609 L666 Y669 R679 I680 Y711	G607-P677 CarbonylContact O-C 3.57Å; G607-P677 WeakPolarHBondContact O-CB 3.49Å; M609-P677 HydrophobicContact CB-CB 3.68Å; M609-P677 HydrophobicContact CB-CG 3.8Å; M609-P677 HydrophobicContact CG-CG 4.42Å; M609-P677 HydrophobicContact SD-CG 3.78Å; L666-P677 HydrophobicContact CD2-CG 3.82Å; Y669-P677 HydrophobicContact CD1-CB 4.27Å; Y669-P677 VanDerWaalsContact CD1-CD 3.49Å; Y669-P677 HydrophobicContact CD1-CG 4.22Å; Y669-P677 HydrophobicContact CD2-CB 4.24Å; Y669-P677 HydrophobicContact CD2-CG 4.3Å; Y669-P677 HydrophobicContact CE1-CB 3.83Å; Y669-P677 HydrophobicContact CE1-CG 4.27Å; Y669-P677 HydrophobicContact CE2-CB 3.8Å; Y669-P677 HydrophobicContact CE2-CG 4.37Å; Y669-P677 HydrophobicContact CG-CB 4.47Å; Y669-P677 HydrophobicContact CG-CG 4.25Å; P677-R679 PolarHBondContact O-N 3.24Å; P677-I680 HydrophobicContact CG-CD1 4.49Å; P677-I680 HydrophobicContact CG-CG1 4.26Å; P677-Y711 WeakPolarHBondContact CD-OH 3.2Å; P677-Y711 WeakPolarHBondContact CG-OH 3.48Å; P677-Y711 PolarHBondContact O-OH 3.07Å
678	S	97.2	Very high	93.2	Very high	71 Å²	71	44.3 Å²	44.3	50%	0.497	23%	0.225	S	C	.	.	S	Bend	trans	-67.1	-22.7	174.4	-44.1	0	0	0	0	112.7	G607 L676 Q720	G607-S678 PolarHBondContact O-N 2.69Å; L676-S678 PolarHBondContact O-N 3.03Å; S678-Q720 PolarHBondContact O-N 2.89Å
679	R	97.9	Very high	91.7	Very high	72 Å²	72	46.2 Å²	46.2	27%	0.272	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.6	-172.7	-56.6	-176.1	176.3	102.7	1.6	111.5	S606 G607 L608 M609 P677 Q720 M783	S606-R679 PolarHBondContact O-NH1 2.84Å; G607-R679 PolarHBondContact O-N 3.29Å; L608-R679 HydrophobicContact CD1-CB 3.93Å; M609-R679 PolarHBondContact N-O 3.07Å; P677-R679 PolarHBondContact O-N 3.24Å; R679-Q720 CarbonylContact C-O 3.54Å; R679-Q720 WeakPolarHBondContact CA-O 3.44Å; R679-Q720 HydrophobicContact CG-CB 4.24Å; R679-M783 HydrophobicContact CB-CE 4.14Å; R679-M783 HydrophobicContact CB-SD 4.24Å; R679-M783 HydrophobicContact CG-CE 4.46Å
680	I	98.6	Very high	90.3	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.4	177	-55.7	-179.2	0	0	0	109.4	M609 I611 L666 P677 L707 P719 Q720 L721 A722	M609-I680 HydrophobicContact CB-CG1 4.45Å; M609-I680 VanDerWaalsContact O-CA 3.31Å; M609-I680 WeakPolarHBondContact O-CA 3.38Å; M609-I680 HydrophobicContact SD-CD1 4.49Å; M609-I680 HydrophobicContact SD-CG1 4.47Å; I611-I680 HydrophobicContact CD1-CG2 3.73Å; I611-I680 HydrophobicContact CG1-CG2 4.24Å; L666-I680 HydrophobicContact CD2-CD1 4.09Å; P677-I680 HydrophobicContact CG-CD1 4.49Å; P677-I680 HydrophobicContact CG-CG1 4.26Å; I680-L707 HydrophobicContact CD1-CD1 4.17Å; I680-L707 HydrophobicContact CD1-CD2 3.75Å; I680-P719 HydrophobicContact CD1-CB 4.25Å; I680-P719 HydrophobicContact CD1-CG 3.76Å; I680-P719 HydrophobicContact CG1-CB 4.27Å; I680-P719 HydrophobicContact CG1-CG 4.27Å; I680-Q720 PolarHBondContact N-O 2.81Å; I680-L721 HydrophobicContact CB-CD1 3.97Å; I680-L721 HydrophobicContact CG2-CD1 3.86Å; I680-L721 CarbonylContact O-C 3.57Å; I680-L721 WeakPolarHBondContact O-CA 3.25Å; I680-A722 PolarHBondContact O-N 2.63Å
681	V	98.6	Very high	89.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112.1	170.1	177.7	0	0	0	0	108.7	L608 M609 T610 I611 Y683 A722 I724 M783 L793	L608-V681 HydrophobicContact CD1-CB 4.4Å; L608-V681 HydrophobicContact CD1-CG2 3.88Å; M609-V681 PolarHBondContact O-N 2.85Å; T610-V681 CarbonylContact C-O 3.39Å; T610-V681 WeakPolarHBondContact CA-O 3.5Å; T610-V681 HydrophobicContact CG2-CB 4.43Å; I611-V681 PolarHBondContact N-O 2.87Å; V681-Y683 HydrophobicContact CG1-CD2 4.11Å; V681-Y683 HydrophobicContact CG1-CE1 4.4Å; V681-Y683 HydrophobicContact CG1-CE2 3.53Å; V681-A722 HydrophobicContact CG2-CB 4.47Å; V681-I724 HydrophobicContact CG1-CD1 3.99Å; V681-M783 HydrophobicContact CG2-CE 3.77Å; V681-M783 HydrophobicContact CG2-SD 4.2Å; V681-L793 HydrophobicContact CG2-CD2 4.08Å
682	F	98.4	Very high	88.5	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	115.8	-175.2	-168.1	-74.3	0	0	0	110.5	I611 F613 L629 L658 I662 R684 A722 Y723 I724	I611-F682 HydrophobicContact CB-CD2 3.76Å; I611-F682 HydrophobicContact CB-CE2 4.29Å; I611-F682 HydrophobicContact CB-CG 4.36Å; I611-F682 HydrophobicContact CD1-CD2 4.14Å; I611-F682 HydrophobicContact CG2-CD2 3.58Å; I611-F682 HydrophobicContact CG2-CE2 3.56Å; I611-F682 HydrophobicContact CG2-CG 4.44Å; I611-F682 HydrophobicContact CG2-CZ 4.42Å; F613-F682 HydrophobicContact CB-CE1 3.98Å; F613-F682 HydrophobicContact CB-CZ 3.64Å; F613-F682 HydrophobicContact CD1-CZ 4.31Å; F613-F682 HydrophobicContact CG-CZ 4.24Å; L629-F682 HydrophobicContact CD1-CE2 4.33Å; L658-F682 HydrophobicContact CD1-CE2 4.33Å; L658-F682 HydrophobicContact CD1-CZ 4.05Å; L658-F682 HydrophobicContact CD2-CZ 4.06Å; I662-F682 HydrophobicContact CD1-CE2 3.99Å; I662-F682 HydrophobicContact CG1-CE2 4.36Å; F682-R684 HydrophobicContact CD1-CB 4.41Å; F682-R684 HydrophobicContact CE1-CB 4.13Å; F682-A722 PolarHBondContact N-O 2.85Å; F682-Y723 HydrophobicContact CB-CD2 4.18Å; F682-Y723 AromaticContact CD1-CD2 3.68Å; F682-Y723 HydrophobicContact CD1-CD2 3.68Å; F682-Y723 AromaticContact CD1-CE2 3.45Å; F682-Y723 HydrophobicContact CD1-CE2 3.45Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.45Å; F682-Y723 HydrophobicContact CD1-CG 4.43Å; F682-Y723 HydrophobicContact CE1-CD2 4.32Å; F682-Y723 AromaticContact CE1-CE2 3.62Å; F682-Y723 HydrophobicContact CE1-CE2 3.62Å; F682-Y723 HydrophobicContact CG-CD2 4.03Å; F682-Y723 HydrophobicContact CG-CE2 4.15Å; F682-Y723 HydrophobicContact CZ-CE2 4.42Å; F682-I724 PolarHBondContact O-N 3.41Å
683	Y	98.2	Very high	87.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.2	176.8	-66.6	-78	0	0	0	111.8	T610 I611 G612 F613 V681 I724 V726 Y776 T794 M797 P811 V813 C814	T610-Y683 HydrophobicContact CG2-CD2 3.74Å; T610-Y683 HydrophobicContact CG2-CE2 3.58Å; I611-Y683 PolarHBondContact O-N 2.96Å; G612-Y683 WeakPolarHBondContact CA-O 3.41Å; F613-Y683 PolarHBondContact N-O 3.25Å; F613-Y683 VanDerWaalsContact N-O 3.07Å; V681-Y683 HydrophobicContact CG1-CD2 4.11Å; V681-Y683 HydrophobicContact CG1-CE1 4.4Å; V681-Y683 HydrophobicContact CG1-CE2 3.53Å; Y683-I724 WeakPolarHBondContact CA-O 3.43Å; Y683-I724 HydrophobicContact CD1-CB 3.93Å; Y683-I724 HydrophobicContact CD1-CD1 4.23Å; Y683-I724 HydrophobicContact CD1-CG2 4.15Å; Y683-I724 HydrophobicContact CE1-CB 4.23Å; Y683-I724 HydrophobicContact CE1-CD1 3.69Å; Y683-I724 HydrophobicContact CE1-CG1 4.5Å; Y683-I724 HydrophobicContact CE1-CG2 4.26Å; Y683-V726 HydrophobicContact CD1-CG2 3.72Å; Y683-V726 HydrophobicContact CG-CG2 4.26Å; Y683-Y776 HydrophobicContact CD1-CD1 4.48Å; Y683-Y776 HydrophobicContact CE1-CD1 4.32Å; Y683-Y776 HydrophobicContact CE1-CE1 4.41Å; Y683-T794 HydrophobicContact CE1-CG2 4.03Å; Y683-T794 WeakPolarHBondContact OH-CA 3.42Å; Y683-T794 PolarHBondContact OH-OG1 2.94Å; Y683-T794 VanDerWaalsContact OH-OG1 3.07Å; Y683-M797 HydrophobicContact CE2-CG 4.44Å; Y683-P811 HydrophobicContact CD1-CG 3.85Å; Y683-P811 HydrophobicContact CD2-CB 4.08Å; Y683-P811 HydrophobicContact CD2-CG 4.16Å; Y683-P811 HydrophobicContact CE1-CG 3.88Å; Y683-P811 HydrophobicContact CE2-CB 4.18Å; Y683-P811 HydrophobicContact CE2-CG 4.2Å; Y683-P811 HydrophobicContact CG-CB 4.31Å; Y683-P811 HydrophobicContact CG-CG 3.99Å; Y683-V813 HydrophobicContact CD2-CG2 4.01Å; Y683-C814 WeakPolarHBondContact CB-SG 3.07Å
684	R	94.1	Very high	87.2	Confident	8 Å²	8	48 Å²	48	3%	0.03	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	107.2	-178.2	-175.9	72.7	164.1	91	-8.1	111.1	F682 V687 L695 E699 Y723 I724 V725 V726	F682-R684 HydrophobicContact CD1-CB 4.41Å; F682-R684 HydrophobicContact CE1-CB 4.13Å; R684-V687 HydrophobicContact CG-CG2 3.54Å; R684-L695 HydrophobicContact CG-CD2 4.36Å; R684-E699 IonicContact CZ-OE1 2.68Å; R684-E699 VanDerWaalsContact CZ-OE1 3.3Å; R684-E699 IonicContact CZ-OE2 2.83Å; R684-E699 IonicContact NE-OE1 2.69Å; R684-E699 PolarHBondContact NE-OE1 2.91Å; R684-E699 IonicContact NE-OE2 3.63Å; R684-E699 PolarHBondContact NE-OE2 3.36Å; R684-E699 IonicContact NH2-OE1 2.76Å; R684-E699 PolarHBondContact NH2-OE1 3.05Å; R684-Y723 HydrophobicContact CB-CE1 3.97Å; R684-Y723 WeakPolarHBondContact CD-OH 3.34Å; R684-Y723 HydrophobicContact CG-CE1 4.43Å; R684-Y723 VanDerWaalsContact CG-OH 3.26Å; R684-Y723 WeakPolarHBondContact CG-OH 3.43Å; R684-I724 PolarHBondContact N-O 3.45Å; R684-V725 HydrophobicContact CB-CG2 4.36Å; R684-V726 PolarHBondContact O-N 3.43Å
685	D	86.7	Confident	86.7	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.021	24%	0.24	C	C	.	.			trans	-85.2	168.2	171.3	-162.2	-7.4	0	0	0	110.4	F613 D614 V687 R728 C814	F613-D685 PolarHBondContact O-N 3.23Å; D614-D685 HydrophobicContact CB-CB 4.1Å; D685-V687 PolarHBondContact O-N 2.56Å; D685-R728 IonicContact OD1-CZ 2.75Å; D685-R728 IonicContact OD1-NH1 3.31Å; D685-R728 PolarHBondContact OD1-NH1 3.37Å; D685-R728 IonicContact OD2-CZ 2.64Å; D685-R728 IonicContact OD2-NH1 2.72Å; D685-R728 PolarHBondContact OD2-NH1 3.46Å; D685-R728 IonicContact OD2-NH2 3.64Å; D685-R728 PolarHBondContact OD2-NH2 2.81Å; D685-C814 HydrophobicContact CB-CB 4.31Å
686	G	72.4	Confident	86.3	Confident	57 Å²	57	36.3 Å²	36.3	59%	0.588	23%	0.23	S	C	*	.	S	Bend	trans	80.9	-2.9	166.1	0	0	0	0	0	117.7
687	V	76.4	Confident	85.7	Confident	18 Å²	18	39.4 Å²	39.4	11%	0.109	25%	0.245	C	C	.	.			trans	-81.6	140.4	-175.8	-179.7	0	0	0	0	112.6	R684 D685 L692 L695 V725	R684-V687 HydrophobicContact CG-CG2 3.54Å; D685-V687 PolarHBondContact O-N 2.56Å; V687-L692 HydrophobicContact CG1-CD2 4.14Å; V687-L695 HydrophobicContact CG1-CD1 4.22Å; V687-L695 HydrophobicContact CG1-CD2 4.19Å; V687-L695 HydrophobicContact CG2-CD1 3.67Å; V687-L695 HydrophobicContact CG2-CD2 4.09Å; V687-V725 HydrophobicContact CB-CG1 4.12Å
688	S	68.6	Low	85.1	Confident	67 Å²	67	45.6 Å²	45.6	47%	0.469	27%	0.272	S	S	.	.			trans	-84.7	145.4	173.5	103.8	0	0	0	0	111.7	G690 S691	S688-G690 PolarHBondContact O-N 2.75Å; S688-G690 VanDerWaalsContact O-N 3.16Å; S688-G690 PolarHBondContact OG-N 2.82Å; S688-S691 WeakPolarHBondContact O-CB 3.38Å; S688-S691 PolarHBondContact O-N 3.08Å; S688-S691 PolarHBondContact OG-OG 3.02Å
689	S	66.9	Low	84.7	Confident	92 Å²	92	42.7 Å²	42.7	64%	0.643	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-61.9	-24.3	-179.9	54.6	0	0	0	0	114.2	S691	S689-S691 VanDerWaalsContact C-N 3.28Å; S689-S691 PolarHBondContact O-N 2.72Å
690	G	66.9	Low	84.5	Confident	70 Å²	70	39.2 Å²	39.2	72%	0.722	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-80.3	-2.8	174.4	0	0	0	0	0	114.6	S688	S688-G690 PolarHBondContact O-N 2.75Å; S688-G690 VanDerWaalsContact O-N 3.16Å; S688-G690 PolarHBondContact OG-N 2.82Å
691	S	75.1	Confident	84.2	Confident	40 Å²	40	43.4 Å²	43.4	28%	0.28	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-107.8	-0.1	-178	-50.6	0	0	0	0	113.2	S688 S689 K693 Q694 L695	S688-S691 WeakPolarHBondContact O-CB 3.38Å; S688-S691 PolarHBondContact O-N 3.08Å; S688-S691 PolarHBondContact OG-OG 3.02Å; S689-S691 VanDerWaalsContact C-N 3.28Å; S689-S691 PolarHBondContact O-N 2.72Å; S691-K693 PolarHBondContact O-N 3.39Å; S691-Q694 PolarHBondContact O-N 2.68Å; S691-L695 WeakPolarHBondContact O-CB 3.43Å; S691-L695 PolarHBondContact O-N 3.42Å
692	L	82.2	Confident	83.9	Confident	15 Å²	15	45.8 Å²	45.8	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-63.9	-40.1	-169.2	-69.4	173.9	0	0	0	114	V687 L695 F696 V725 L779	V687-L692 HydrophobicContact CG1-CD2 4.14Å; L692-L695 PolarHBondContact O-N 2.85Å; L692-F696 WeakPolarHBondContact O-CB 3.46Å; L692-F696 PolarHBondContact O-N 3.49Å; L692-V725 HydrophobicContact CD2-CB 4.46Å; L692-V725 HydrophobicContact CD2-CG1 4.25Å; L692-V725 HydrophobicContact CD2-CG2 4.07Å; L692-L779 HydrophobicContact CD2-CD2 4.38Å
693	K	83.1	Confident	83.7	Confident	79 Å²	79	45.9 Å²	45.9	34%	0.343	27%	0.269	S	S	.	.	H	α-helix	trans	-61.6	-47	175.9	-173.1	176.7	-179.5	-179.7	0	111.1	D77 S691 L695 F696 E697	D77-K693 HydrophobicContact CB-CD 3.87Å; D77-K693 VanDerWaalsContact CG-CD 3.43Å; D77-K693 IonicContact OD1-NZ 3.5Å; D77-K693 PolarHBondContact OD1-NZ 2.95Å; D77-K693 WeakPolarHBondContact OD2-CD 3.4Å; D77-K693 IonicContact OD2-NZ 3.56Å; D77-K693 PolarHBondContact OD2-NZ 3.27Å; S691-K693 PolarHBondContact O-N 3.39Å; K693-L695 PolarHBondContact O-N 3.06Å; K693-F696 PolarHBondContact O-N 3.43Å; K693-E697 WeakPolarHBondContact O-CG 3.36Å; K693-E697 PolarHBondContact O-N 2.92Å
694	Q	82.4	Confident	83.6	Confident	107 Å²	107	47.3 Å²	47.3	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-62.8	-42	176.6	-66.6	175.1	-33	0	0	112	L654 S691 F696 E697 F698	L654-Q694 HydrophobicContact CD1-CB 3.84Å; S691-Q694 PolarHBondContact O-N 2.68Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; Q694-F696 PolarHBondContact O-N 2.8Å; Q694-E697 PolarHBondContact O-N 3.23Å; Q694-F698 HydrophobicContact CB-CD2 4.27Å; Q694-F698 WeakPolarHBondContact O-CB 3.45Å; Q694-F698 VanDerWaalsContact O-CD2 3.24Å; Q694-F698 WeakPolarHBondContact O-CD2 3.41Å; Q694-F698 PolarHBondContact O-N 3.14Å
695	L	85.7	Confident	83.7	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-60.7	-41.3	175.7	-165.8	92.7	0	0	0	112	L654 R684 V687 S691 L692 K693 E699 V700 Y723 V725 L779	L654-L695 HydrophobicContact CD2-CD1 3.96Å; R684-L695 HydrophobicContact CG-CD2 4.36Å; V687-L695 HydrophobicContact CG1-CD1 4.22Å; V687-L695 HydrophobicContact CG1-CD2 4.19Å; V687-L695 HydrophobicContact CG2-CD1 3.67Å; V687-L695 HydrophobicContact CG2-CD2 4.09Å; S691-L695 WeakPolarHBondContact O-CB 3.43Å; S691-L695 PolarHBondContact O-N 3.42Å; L692-L695 PolarHBondContact O-N 2.85Å; K693-L695 PolarHBondContact O-N 3.06Å; L695-E699 VanDerWaalsContact CD1-CD 3.48Å; L695-E699 HydrophobicContact CD1-CG 4.19Å; L695-E699 VanDerWaalsContact CD1-OE1 3.23Å; L695-E699 WeakPolarHBondContact CD1-OE1 2.92Å; L695-E699 HydrophobicContact CG-CB 4.49Å; L695-E699 HydrophobicContact CG-CG 4.47Å; L695-E699 WeakPolarHBondContact O-CA 3.21Å; L695-E699 VanDerWaalsContact O-CB 3.32Å; L695-E699 WeakPolarHBondContact O-CB 3.47Å; L695-E699 PolarHBondContact O-N 3.08Å; L695-V700 PolarHBondContact O-N 2.84Å; L695-Y723 HydrophobicContact CD2-CE1 3.82Å; L695-Y723 WeakPolarHBondContact CD2-OH 3.24Å; L695-V725 HydrophobicContact CD2-CG2 3.54Å; L695-L779 HydrophobicContact CD2-CD1 3.74Å
696	F	87.4	Confident	84.1	Confident	42 Å²	42	53.5 Å²	53.5	18%	0.184	31%	0.305	C	S	.	.	I	π-helix	trans	-67.7	-47.1	178.3	-176.7	-97.8	0	0	0	112.3	L79 L692 K693 Q694 V700 K701 L779	L79-F696 HydrophobicContact CD1-CB 4.23Å; L79-F696 HydrophobicContact CD1-CD1 3.75Å; L79-F696 HydrophobicContact CD1-CE1 4.25Å; L79-F696 HydrophobicContact CD1-CG 3.97Å; L79-F696 HydrophobicContact CD2-CB 3.47Å; L79-F696 VanDerWaalsContact CD2-CB 3.47Å; L79-F696 HydrophobicContact CD2-CD1 4.38Å; L79-F696 HydrophobicContact CD2-CD2 4.06Å; L79-F696 HydrophobicContact CD2-CG 3.73Å; L79-F696 HydrophobicContact CG-CG 4.5Å; L692-F696 WeakPolarHBondContact O-CB 3.46Å; L692-F696 PolarHBondContact O-N 3.49Å; K693-F696 PolarHBondContact O-N 3.43Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; Q694-F696 PolarHBondContact O-N 2.8Å; F696-V700 HydrophobicContact CD2-CB 3.93Å; F696-V700 HydrophobicContact CD2-CG1 4.04Å; F696-V700 HydrophobicContact CD2-CG2 4.09Å; F696-V700 HydrophobicContact CE2-CB 4.4Å; F696-V700 HydrophobicContact CE2-CG1 4.06Å; F696-V700 HydrophobicContact CG-CB 4.46Å; F696-V700 WeakPolarHBondContact O-CB 3.42Å; F696-V700 PolarHBondContact O-N 3.32Å; F696-K701 PolarHBondContact O-N 2.83Å; F696-L779 HydrophobicContact CD2-CB 4.16Å; F696-L779 WeakPolarHBondContact CE2-O 3.24Å
697	E	85.4	Confident	85.3	Confident	79 Å²	79	51.1 Å²	51.1	37%	0.369	28%	0.278	S	S	.	.	I	π-helix	trans	-64.6	-40.8	178.8	-67.5	-60.6	131.5	0	0	112.7	K693 Q694 K701	K693-E697 WeakPolarHBondContact O-CG 3.36Å; K693-E697 PolarHBondContact O-N 2.92Å; Q694-E697 PolarHBondContact O-N 3.23Å; E697-K701 VanDerWaalsContact OE1-CE 3.23Å; E697-K701 WeakPolarHBondContact OE1-CE 3.41Å; E697-K701 IonicContact OE1-NZ 2.81Å; E697-K701 PolarHBondContact OE1-NZ 2.96Å; E697-K701 WeakPolarHBondContact OE2-CE 3.1Å; E697-K701 IonicContact OE2-NZ 3.83Å; E697-K701 PolarHBondContact OE2-NZ 3.48Å
698	F	85.3	Confident	86.3	Confident	131 Å²	131	54.6 Å²	54.6	58%	0.575	29%	0.292	S	S	*	.	I	π-helix	trans	-100.8	-31	-172.8	-64.8	-64.2	0	0	0	116	L654 Q694 D702	L654-F698 HydrophobicContact CB-CB 4.46Å; L654-F698 HydrophobicContact CD1-CD2 4.15Å; Q694-F698 HydrophobicContact CB-CD2 4.27Å; Q694-F698 WeakPolarHBondContact O-CB 3.45Å; Q694-F698 VanDerWaalsContact O-CD2 3.24Å; Q694-F698 WeakPolarHBondContact O-CD2 3.41Å; Q694-F698 PolarHBondContact O-N 3.14Å; F698-D702 VanDerWaalsContact O-CB 3.27Å; F698-D702 WeakPolarHBondContact O-CB 3.28Å
699	E	89.5	Confident	87.7	Confident	9 Å²	9	54.8 Å²	54.8	4%	0.042	29%	0.29	C	S	.	.	I	π-helix	trans	-95.6	-49.5	173.3	-66	-172.4	-158.1	0	0	112	L654 L658 R684 L695 I703 Y723	L654-E699 HydrophobicContact CD2-CG 4.23Å; L658-E699 HydrophobicContact CD2-CG 4.2Å; R684-E699 IonicContact CZ-OE1 2.68Å; R684-E699 VanDerWaalsContact CZ-OE1 3.3Å; R684-E699 IonicContact CZ-OE2 2.83Å; R684-E699 IonicContact NE-OE1 2.69Å; R684-E699 PolarHBondContact NE-OE1 2.91Å; R684-E699 IonicContact NE-OE2 3.63Å; R684-E699 PolarHBondContact NE-OE2 3.36Å; R684-E699 IonicContact NH2-OE1 2.76Å; R684-E699 PolarHBondContact NH2-OE1 3.05Å; L695-E699 VanDerWaalsContact CD1-CD 3.48Å; L695-E699 HydrophobicContact CD1-CG 4.19Å; L695-E699 VanDerWaalsContact CD1-OE1 3.23Å; L695-E699 WeakPolarHBondContact CD1-OE1 2.92Å; L695-E699 HydrophobicContact CG-CB 4.49Å; L695-E699 HydrophobicContact CG-CG 4.47Å; L695-E699 WeakPolarHBondContact O-CA 3.21Å; L695-E699 VanDerWaalsContact O-CB 3.32Å; L695-E699 WeakPolarHBondContact O-CB 3.47Å; L695-E699 PolarHBondContact O-N 3.08Å; E699-I703 WeakPolarHBondContact O-CB 3.49Å; E699-I703 WeakPolarHBondContact O-CD1 3.44Å; E699-I703 WeakPolarHBondContact O-CG1 3.33Å; E699-I703 PolarHBondContact O-N 3.1Å; E699-Y723 PolarHBondContact OE2-OH 3.12Å
700	V	91.9	Very high	89.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	I	π-helix	trans	-72.6	-47.8	-167.7	-176	0	0	0	0	112.2	L695 F696 I703 I704 Y723 L779 Y780	L695-V700 PolarHBondContact O-N 2.84Å; F696-V700 HydrophobicContact CD2-CB 3.93Å; F696-V700 HydrophobicContact CD2-CG1 4.04Å; F696-V700 HydrophobicContact CD2-CG2 4.09Å; F696-V700 HydrophobicContact CE2-CB 4.4Å; F696-V700 HydrophobicContact CE2-CG1 4.06Å; F696-V700 HydrophobicContact CG-CB 4.46Å; F696-V700 WeakPolarHBondContact O-CB 3.42Å; F696-V700 PolarHBondContact O-N 3.32Å; V700-I703 PolarHBondContact O-N 3.3Å; V700-I704 HydrophobicContact CG1-CD1 4.03Å; V700-I704 WeakPolarHBondContact O-CG1 3.26Å; V700-I704 PolarHBondContact O-N 3.17Å; V700-I704 VanDerWaalsContact O-N 3.11Å; V700-Y723 HydrophobicContact CG2-CD1 3.72Å; V700-Y723 HydrophobicContact CG2-CD2 3.91Å; V700-Y723 HydrophobicContact CG2-CE1 3.89Å; V700-Y723 HydrophobicContact CG2-CE2 4.04Å; V700-Y723 HydrophobicContact CG2-CG 3.75Å; V700-L779 HydrophobicContact CG2-CD1 4.22Å; V700-Y780 HydrophobicContact CG1-CG 4.35Å
701	K	92.1	Very high	90.6	Very high	89 Å²	89	48.7 Å²	48.7	39%	0.387	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-43.8	176.6	-66.6	-175.6	-177.8	176.6	0	112.1	F696 E697 I703 I704 E705	F696-K701 PolarHBondContact O-N 2.83Å; E697-K701 VanDerWaalsContact OE1-CE 3.23Å; E697-K701 WeakPolarHBondContact OE1-CE 3.41Å; E697-K701 IonicContact OE1-NZ 2.81Å; E697-K701 PolarHBondContact OE1-NZ 2.96Å; E697-K701 WeakPolarHBondContact OE2-CE 3.1Å; E697-K701 IonicContact OE2-NZ 3.83Å; E697-K701 PolarHBondContact OE2-NZ 3.48Å; K701-I703 PolarHBondContact O-N 2.98Å; K701-I704 PolarHBondContact O-N 3.34Å; K701-I704 VanDerWaalsContact O-N 3.15Å; K701-E705 PolarHBondContact O-N 3.02Å
702	D	92.4	Very high	91.6	Very high	50 Å²	50	49.8 Å²	49.8	27%	0.267	24%	0.244	S	C	.	.	H	α-helix	trans	-59.1	-45	178.2	-176.6	83.3	0	0	0	112.4	F698 I704 K706	F698-D702 VanDerWaalsContact O-CB 3.27Å; F698-D702 WeakPolarHBondContact O-CB 3.28Å; D702-I704 PolarHBondContact O-N 3.04Å; D702-K706 WeakPolarHBondContact O-CB 3.37Å; D702-K706 VanDerWaalsContact O-CG 3.31Å; D702-K706 WeakPolarHBondContact O-CG 3.41Å; D702-K706 PolarHBondContact O-N 2.78Å; D702-K706 WeakPolarHBondContact OD1-CE 3.35Å; D702-K706 IonicContact OD1-NZ 3.77Å; D702-K706 PolarHBondContact OD1-NZ 3Å; D702-K706 WeakPolarHBondContact OD2-CE 3.35Å; D702-K706 IonicContact OD2-NZ 3.68Å; D702-K706 PolarHBondContact OD2-NZ 3.4Å
703	I	94.8	Very high	92.3	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-62.2	-41.4	174.6	-72.4	167.1	0	0	0	111.2	L658 I662 E699 V700 K701 L707 L721 Y723	L658-I703 HydrophobicContact CD2-CD1 3.99Å; I662-I703 HydrophobicContact CD1-CD1 3.79Å; I662-I703 HydrophobicContact CD1-CG1 3.77Å; E699-I703 WeakPolarHBondContact O-CB 3.49Å; E699-I703 WeakPolarHBondContact O-CD1 3.44Å; E699-I703 WeakPolarHBondContact O-CG1 3.33Å; E699-I703 PolarHBondContact O-N 3.1Å; V700-I703 PolarHBondContact O-N 3.3Å; K701-I703 PolarHBondContact O-N 2.98Å; I703-L707 HydrophobicContact CG2-CD1 3.65Å; I703-L707 HydrophobicContact CG2-CG 4.19Å; I703-L707 VanDerWaalsContact O-CB 3.23Å; I703-L707 WeakPolarHBondContact O-CB 3.4Å; I703-L707 WeakPolarHBondContact O-CG 3.44Å; I703-L707 PolarHBondContact O-N 3.47Å; I703-L721 HydrophobicContact CG2-CD2 4.1Å; I703-Y723 HydrophobicContact CD1-CD2 4.29Å; I703-Y723 HydrophobicContact CD1-CE2 3.97Å
704	I	96.1	Very high	92.8	Very high	31 Å²	31	55.3 Å²	55.3	16%	0.159	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-51.8	179.9	-70.5	164.7	0	0	0	111	V700 K701 D702 K706 L707 K708 L721 Y780	V700-I704 HydrophobicContact CG1-CD1 4.03Å; V700-I704 WeakPolarHBondContact O-CG1 3.26Å; V700-I704 PolarHBondContact O-N 3.17Å; V700-I704 VanDerWaalsContact O-N 3.11Å; K701-I704 PolarHBondContact O-N 3.34Å; K701-I704 VanDerWaalsContact O-N 3.15Å; D702-I704 PolarHBondContact O-N 3.04Å; I704-K706 PolarHBondContact O-N 3.32Å; I704-L707 PolarHBondContact O-N 3.23Å; I704-K708 WeakPolarHBondContact O-CG 3.25Å; I704-K708 PolarHBondContact O-N 2.86Å; I704-L721 HydrophobicContact CG1-CD2 3.9Å; I704-Y780 HydrophobicContact CD1-CD1 4.13Å; I704-Y780 HydrophobicContact CD1-CD2 3.81Å; I704-Y780 HydrophobicContact CD1-CE1 4.05Å; I704-Y780 HydrophobicContact CD1-CE2 3.71Å; I704-Y780 HydrophobicContact CD1-CG 4.01Å; I704-Y780 HydrophobicContact CG1-CE1 4.44Å
705	E	95.9	Very high	93.5	Very high	98 Å²	98	59.2 Å²	59.2	46%	0.458	29%	0.286	S	S	.	.	H	α-helix	trans	-66.7	-36.4	-177.9	-59.8	-47.5	124.8	0	0	112.5	K701 K708 T709	K701-E705 PolarHBondContact O-N 3.02Å; E705-K708 WeakPolarHBondContact O-CB 3.16Å; E705-K708 PolarHBondContact O-N 2.89Å; E705-K708 WeakPolarHBondContact OE1-CE 3Å; E705-K708 IonicContact OE1-NZ 2.75Å; E705-K708 PolarHBondContact OE1-NZ 3.03Å; E705-K708 WeakPolarHBondContact OE2-CD 3.3Å; E705-K708 WeakPolarHBondContact OE2-CE 3.46Å; E705-K708 IonicContact OE2-NZ 2.7Å; E705-K708 PolarHBondContact OE2-NZ 2.73Å; E705-T709 PolarHBondContact O-N 3.2Å; E705-T709 PolarHBondContact O-OG1 3.16Å
706	K	96.3	Very high	94	Very high	44 Å²	44	63.4 Å²	63.4	19%	0.191	31%	0.308	C	S	.	.	H	α-helix	trans	-75.4	-29.5	176.7	-65.3	-179.7	-172.6	154.1	0	113	N656 W659 D702 I704 T709 E710	N656-K706 PolarHBondContact OD1-NZ 2.79Å; W659-K706 HydrophobicContact CB-CD 3.98Å; W659-K706 HydrophobicContact CD2-CB 3.65Å; W659-K706 HydrophobicContact CD2-CD 3.41Å; W659-K706 VanDerWaalsContact CD2-CD 3.41Å; W659-K706 HydrophobicContact CD2-CG 4.18Å; W659-K706 HydrophobicContact CE3-CB 3.59Å; W659-K706 HydrophobicContact CE3-CD 3.94Å; W659-K706 HydrophobicContact CE3-CG 4.44Å; W659-K706 HydrophobicContact CG-CB 4.49Å; W659-K706 HydrophobicContact CG-CD 3.34Å; W659-K706 HydrophobicContact CH2-CB 3.58Å; W659-K706 WeakPolarHBondContact CH2-O 3.45Å; W659-K706 HydrophobicContact CZ2-CB 3.63Å; W659-K706 HydrophobicContact CZ3-CB 3.55Å; D702-K706 WeakPolarHBondContact O-CB 3.37Å; D702-K706 VanDerWaalsContact O-CG 3.31Å; D702-K706 WeakPolarHBondContact O-CG 3.41Å; D702-K706 PolarHBondContact O-N 2.78Å; D702-K706 WeakPolarHBondContact OD1-CE 3.35Å; D702-K706 IonicContact OD1-NZ 3.77Å; D702-K706 PolarHBondContact OD1-NZ 3Å; D702-K706 WeakPolarHBondContact OD2-CE 3.35Å; D702-K706 IonicContact OD2-NZ 3.68Å; D702-K706 PolarHBondContact OD2-NZ 3.4Å; I704-K706 PolarHBondContact O-N 3.32Å; K706-T709 WeakPolarHBondContact O-CB 3.39Å; K706-T709 PolarHBondContact O-N 2.85Å; K706-E710 PolarHBondContact O-N 2.78Å
707	L	97.8	Very high	94.4	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-43.5	167.9	-77.8	172.7	0	0	0	111.6	W659 L666 I680 I703 I704 T709 E710 Y711 P719 L721	W659-L707 HydrophobicContact CH2-CD2 4.38Å; W659-L707 HydrophobicContact CZ3-CD2 4.39Å; W659-L707 HydrophobicContact CZ3-CG 4.26Å; L666-L707 HydrophobicContact CD1-CD2 3.77Å; I680-L707 HydrophobicContact CD1-CD1 4.17Å; I680-L707 HydrophobicContact CD1-CD2 3.75Å; I703-L707 HydrophobicContact CG2-CD1 3.65Å; I703-L707 HydrophobicContact CG2-CG 4.19Å; I703-L707 VanDerWaalsContact O-CB 3.23Å; I703-L707 WeakPolarHBondContact O-CB 3.4Å; I703-L707 WeakPolarHBondContact O-CG 3.44Å; I703-L707 PolarHBondContact O-N 3.47Å; I704-L707 PolarHBondContact O-N 3.23Å; L707-T709 PolarHBondContact O-N 3.09Å; L707-E710 PolarHBondContact O-N 3.12Å; L707-Y711 HydrophobicContact CD2-CD2 4.45Å; L707-Y711 HydrophobicContact CD2-CE2 3.85Å; L707-Y711 WeakPolarHBondContact O-CD2 3.34Å; L707-Y711 PolarHBondContact O-N 2.9Å; L707-Y711 VanDerWaalsContact O-N 3.12Å; L707-P719 HydrophobicContact CB-CG 4.49Å; L707-P719 HydrophobicContact CD1-CG 4.18Å; L707-P719 HydrophobicContact CD2-CG 4.16Å; L707-L721 HydrophobicContact CD1-CD1 4.46Å; L707-L721 HydrophobicContact CD1-CD2 4.06Å
708	K	97.5	Very high	94.9	Very high	91 Å²	91	65.4 Å²	65.4	40%	0.396	33%	0.334	S	S	.	.	H	α-helix	trans	-53.2	-45.8	170.1	-64.5	173.9	-171.6	169.2	0	110.8	I704 E705 Y711 A712 P718	I704-K708 WeakPolarHBondContact O-CG 3.25Å; I704-K708 PolarHBondContact O-N 2.86Å; E705-K708 WeakPolarHBondContact O-CB 3.16Å; E705-K708 PolarHBondContact O-N 2.89Å; E705-K708 WeakPolarHBondContact OE1-CE 3Å; E705-K708 IonicContact OE1-NZ 2.75Å; E705-K708 PolarHBondContact OE1-NZ 3.03Å; E705-K708 WeakPolarHBondContact OE2-CD 3.3Å; E705-K708 WeakPolarHBondContact OE2-CE 3.46Å; E705-K708 IonicContact OE2-NZ 2.7Å; E705-K708 PolarHBondContact OE2-NZ 2.73Å; K708-Y711 PolarHBondContact O-N 2.96Å; K708-A712 VanDerWaalsContact O-CB 3.26Å; K708-A712 WeakPolarHBondContact O-CB 3.23Å; K708-A712 PolarHBondContact O-N 3Å; K708-P718 HydrophobicContact CB-CG 4.23Å; K708-P718 HydrophobicContact CG-CB 4.27Å; K708-P718 HydrophobicContact CG-CG 3.7Å
709	T	97.3	Very high	95.5	Very high	72 Å²	72	59.9 Å²	59.9	44%	0.442	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-48	-178	-54.1	0	0	0	0	113.3	E705 K706 L707 R713	E705-T709 PolarHBondContact O-N 3.2Å; E705-T709 PolarHBondContact O-OG1 3.16Å; K706-T709 WeakPolarHBondContact O-CB 3.39Å; K706-T709 PolarHBondContact O-N 2.85Å; L707-T709 PolarHBondContact O-N 3.09Å; T709-R713 WeakPolarHBondContact O-CG 3.29Å; T709-R713 PolarHBondContact O-N 3.23Å
710	E	96.4	Very high	95.8	Very high	28 Å²	28	62.2 Å²	62.2	13%	0.131	32%	0.323	C	S	.	.	H	α-helix	trans	-69.5	-32.7	179.6	-65.5	-68.7	171	0	0	113	W659 K706 L707 R713	W659-E710 HydrophobicContact CH2-CG 3.78Å; W659-E710 HydrophobicContact CZ2-CG 3.42Å; W659-E710 VanDerWaalsContact CZ2-CG 3.42Å; K706-E710 PolarHBondContact O-N 2.78Å; L707-E710 PolarHBondContact O-N 3.12Å; E710-R713 WeakPolarHBondContact O-CB 3.45Å; E710-R713 PolarHBondContact O-N 3.16Å; E710-R713 IonicContact OE1-CZ 2.69Å; E710-R713 IonicContact OE1-NH1 3.82Å; E710-R713 PolarHBondContact OE1-NH1 2.8Å; E710-R713 IonicContact OE2-CZ 3.5Å; E710-R713 IonicContact OE2-NH1 3.48Å; E710-R713 PolarHBondContact OE2-NH1 2.92Å
711	Y	97.7	Very high	96.1	Very high	5 Å²	5	62.5 Å²	62.5	2%	0.02	32%	0.324	C	S	.	.	H	α-helix	trans	-77.3	-35.6	-180	-76.7	-116.8	0	0	0	110.7	L666 L676 P677 L707 K708 R713 V714 Q715 L716 S717 P719	L666-Y711 HydrophobicContact CD1-CE2 4.39Å; L666-Y711 HydrophobicContact CD2-CE2 4.29Å; L676-Y711 HydrophobicContact CB-CD1 4.33Å; L676-Y711 HydrophobicContact CB-CE1 3.63Å; L676-Y711 HydrophobicContact CD1-CD1 3.83Å; L676-Y711 HydrophobicContact CD1-CD2 3.85Å; L676-Y711 HydrophobicContact CD1-CE1 3.82Å; L676-Y711 HydrophobicContact CD1-CE2 3.85Å; L676-Y711 HydrophobicContact CD1-CG 3.85Å; L676-Y711 HydrophobicContact CG-CE1 4.35Å; P677-Y711 WeakPolarHBondContact CD-OH 3.2Å; P677-Y711 WeakPolarHBondContact CG-OH 3.48Å; P677-Y711 PolarHBondContact O-OH 3.07Å; L707-Y711 HydrophobicContact CD2-CD2 4.45Å; L707-Y711 HydrophobicContact CD2-CE2 3.85Å; L707-Y711 WeakPolarHBondContact O-CD2 3.34Å; L707-Y711 PolarHBondContact O-N 2.9Å; L707-Y711 VanDerWaalsContact O-N 3.12Å; K708-Y711 PolarHBondContact O-N 2.96Å; Y711-R713 VanDerWaalsContact C-N 3.29Å; Y711-R713 PolarHBondContact O-N 3.12Å; Y711-V714 CarbonylContact O-C 3.53Å; Y711-V714 VanDerWaalsContact O-CG2 3.25Å; Y711-V714 WeakPolarHBondContact O-CG2 3.15Å; Y711-V714 PolarHBondContact O-N 3.27Å; Y711-Q715 PolarHBondContact O-N 2.84Å; Y711-Q715 VanDerWaalsContact O-N 3.16Å; Y711-L716 CarbonylContact C-O 3.45Å; Y711-L716 VanDerWaalsContact C-O 3.31Å; Y711-L716 HydrophobicContact CD1-CB 4.24Å; Y711-L716 PolarHBondContact O-N 2.73Å; Y711-S717 WeakPolarHBondContact CD1-O 3.48Å; Y711-P719 HydrophobicContact CD1-CG 4.46Å; Y711-P719 HydrophobicContact CD2-CG 4.38Å; Y711-P719 HydrophobicContact CE1-CB 3.74Å; Y711-P719 HydrophobicContact CE1-CG 3.88Å; Y711-P719 HydrophobicContact CE2-CB 4.5Å; Y711-P719 HydrophobicContact CE2-CG 3.79Å
712	A	97.3	Very high	96.4	Very high	64 Å²	64	58.2 Å²	58.2	53%	0.529	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-33.7	170.6	0	0	0	0	0	113.1	K708 V714 Q715	K708-A712 VanDerWaalsContact O-CB 3.26Å; K708-A712 WeakPolarHBondContact O-CB 3.23Å; K708-A712 PolarHBondContact O-N 3Å; A712-V714 PolarHBondContact O-N 3.43Å; A712-Q715 PolarHBondContact O-N 2.88Å
713	R	95.4	Very high	96.6	Very high	157 Å²	157	55.9 Å²	55.9	59%	0.592	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.6	173.5	-74	175.1	-177	160.3	4.4	113.9	T709 E710 Y711	T709-R713 WeakPolarHBondContact O-CG 3.29Å; T709-R713 PolarHBondContact O-N 3.23Å; E710-R713 WeakPolarHBondContact O-CB 3.45Å; E710-R713 PolarHBondContact O-N 3.16Å; E710-R713 IonicContact OE1-CZ 2.69Å; E710-R713 IonicContact OE1-NH1 3.82Å; E710-R713 PolarHBondContact OE1-NH1 2.8Å; E710-R713 IonicContact OE2-CZ 3.5Å; E710-R713 IonicContact OE2-NH1 3.48Å; E710-R713 PolarHBondContact OE2-NH1 2.92Å; Y711-R713 VanDerWaalsContact C-N 3.29Å; Y711-R713 PolarHBondContact O-N 3.12Å
714	V	95.1	Very high	96.7	Very high	53 Å²	53	55.7 Å²	55.7	32%	0.321	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	19.9	174.3	-59.9	0	0	0	0	112.1	L676 Y711 A712 L716	L676-V714 HydrophobicContact CD1-CG2 3.53Å; L676-V714 HydrophobicContact CG-CG2 4.44Å; Y711-V714 CarbonylContact O-C 3.53Å; Y711-V714 VanDerWaalsContact O-CG2 3.25Å; Y711-V714 WeakPolarHBondContact O-CG2 3.15Å; Y711-V714 PolarHBondContact O-N 3.27Å; A712-V714 PolarHBondContact O-N 3.43Å; V714-L716 HydrophobicContact CG2-CB 4.23Å; V714-L716 HydrophobicContact CG2-CD1 3.86Å; V714-L716 HydrophobicContact CG2-CG 4Å; V714-L716 PolarHBondContact O-N 2.69Å
715	Q	96	Very high	96.7	Very high	188 Å²	188	54.3 Å²	54.3	88%	0.879	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	28.3	177.2	-56.9	177.8	-4.7	0	0	114.5	Y711 A712	Y711-Q715 PolarHBondContact O-N 2.84Å; Y711-Q715 VanDerWaalsContact O-N 3.16Å; A712-Q715 PolarHBondContact O-N 2.88Å
716	L	96.1	Very high	96.6	Very high	90 Å²	90	49.7 Å²	49.7	47%	0.471	26%	0.263	S	S	.	.			trans	-104.5	151.9	176.7	-67.1	177.2	0	0	0	112.2	Y711 V714	Y711-L716 CarbonylContact C-O 3.45Å; Y711-L716 VanDerWaalsContact C-O 3.31Å; Y711-L716 HydrophobicContact CD1-CB 4.24Å; Y711-L716 PolarHBondContact O-N 2.73Å; V714-L716 HydrophobicContact CG2-CB 4.23Å; V714-L716 HydrophobicContact CG2-CD1 3.86Å; V714-L716 HydrophobicContact CG2-CG 4Å; V714-L716 PolarHBondContact O-N 2.69Å
717	S	95.6	Very high	96.4	Very high	95 Å²	95	50.2 Å²	50.2	66%	0.664	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-61.8	152.8	164.5	58.3	0	0	0	0	111.3	Y711	Y711-S717 WeakPolarHBondContact CD1-O 3.48Å
718	P	96	Very high	95.8	Very high	69 Å²	69	52.8 Å²	52.8	45%	0.448	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-57.4	150.7	174.8	-19.7	31.4	0	0	0	112.1	K708	K708-P718 HydrophobicContact CB-CG 4.23Å; K708-P718 HydrophobicContact CG-CB 4.27Å; K708-P718 HydrophobicContact CG-CG 3.7Å
719	P	97.6	Very high	94.8	Very high	14 Å²	14	49.3 Å²	49.3	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-74	158.8	-179.1	33	-35.7	0	0	0	111.4	I680 L707 Y711 L721	I680-P719 HydrophobicContact CD1-CB 4.25Å; I680-P719 HydrophobicContact CD1-CG 3.76Å; I680-P719 HydrophobicContact CG1-CB 4.27Å; I680-P719 HydrophobicContact CG1-CG 4.27Å; L707-P719 HydrophobicContact CB-CG 4.49Å; L707-P719 HydrophobicContact CD1-CG 4.18Å; L707-P719 HydrophobicContact CD2-CG 4.16Å; Y711-P719 HydrophobicContact CD1-CG 4.46Å; Y711-P719 HydrophobicContact CD2-CG 4.38Å; Y711-P719 HydrophobicContact CE1-CB 3.74Å; Y711-P719 HydrophobicContact CE1-CG 3.88Å; Y711-P719 HydrophobicContact CE2-CB 4.5Å; Y711-P719 HydrophobicContact CE2-CG 3.79Å; P719-L721 PolarHBondContact O-N 3.36Å
720	Q	97.8	Very high	93.6	Very high	59 Å²	59	51.6 Å²	51.6	28%	0.276	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	129.4	165.1	-55.4	-166.6	-78.8	0	0	109	S678 R679 I680 S782 M783	S678-Q720 PolarHBondContact O-N 2.89Å; R679-Q720 CarbonylContact C-O 3.54Å; R679-Q720 WeakPolarHBondContact CA-O 3.44Å; R679-Q720 HydrophobicContact CG-CB 4.24Å; I680-Q720 PolarHBondContact N-O 2.81Å; Q720-S782 PolarHBondContact NE2-O 3.32Å; Q720-M783 HydrophobicContact CB-SD 3.84Å; Q720-M783 VanDerWaalsContact NE2-C 3.3Å; Q720-M783 PolarHBondContact NE2-O 3.09Å
721	L	97.6	Very high	93	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.4	-176.3	173.8	67.5	0	0	0	110.6	I680 I703 I704 L707 P719 Y780 S781 S782	I680-L721 HydrophobicContact CB-CD1 3.97Å; I680-L721 HydrophobicContact CG2-CD1 3.86Å; I680-L721 CarbonylContact O-C 3.57Å; I680-L721 WeakPolarHBondContact O-CA 3.25Å; I703-L721 HydrophobicContact CG2-CD2 4.1Å; I704-L721 HydrophobicContact CG1-CD2 3.9Å; L707-L721 HydrophobicContact CD1-CD1 4.46Å; L707-L721 HydrophobicContact CD1-CD2 4.06Å; P719-L721 PolarHBondContact O-N 3.36Å; L721-Y780 HydrophobicContact CB-CD1 4.38Å; L721-Y780 HydrophobicContact CB-CE1 4.12Å; L721-Y780 HydrophobicContact CD2-CD1 4.06Å; L721-Y780 HydrophobicContact CD2-CE1 4.21Å; L721-Y780 HydrophobicContact CG-CD1 4.14Å; L721-Y780 HydrophobicContact CG-CE1 4.34Å; L721-S781 CarbonylContact O-C 3.48Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.19Å; L721-S782 PolarHBondContact N-OG 3.42Å; L721-S782 PolarHBondContact O-N 2.63Å; L721-S782 PolarHBondContact O-OG 3.2Å
722	A	97.6	Very high	92.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.2	157.1	0	0	0	0	0	110.7	I680 V681 F682 I724 Y780 M783 M790	I680-A722 PolarHBondContact O-N 2.63Å; V681-A722 HydrophobicContact CG2-CB 4.47Å; F682-A722 PolarHBondContact N-O 2.85Å; A722-I724 HydrophobicContact CB-CD1 4.45Å; A722-I724 HydrophobicContact CB-CG1 4.38Å; A722-Y780 WeakPolarHBondContact CA-O 3.44Å; A722-M783 HydrophobicContact CB-CG 3.56Å; A722-M790 HydrophobicContact CB-CE 3.54Å
723	Y	97	Very high	92.6	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.8	174	-171.4	-70.8	0	0	0	109.1	F682 R684 L695 E699 V700 I703 V725 L779 Y780	F682-Y723 HydrophobicContact CB-CD2 4.18Å; F682-Y723 AromaticContact CD1-CD2 3.68Å; F682-Y723 HydrophobicContact CD1-CD2 3.68Å; F682-Y723 AromaticContact CD1-CE2 3.45Å; F682-Y723 HydrophobicContact CD1-CE2 3.45Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.45Å; F682-Y723 HydrophobicContact CD1-CG 4.43Å; F682-Y723 HydrophobicContact CE1-CD2 4.32Å; F682-Y723 AromaticContact CE1-CE2 3.62Å; F682-Y723 HydrophobicContact CE1-CE2 3.62Å; F682-Y723 HydrophobicContact CG-CD2 4.03Å; F682-Y723 HydrophobicContact CG-CE2 4.15Å; F682-Y723 HydrophobicContact CZ-CE2 4.42Å; R684-Y723 HydrophobicContact CB-CE1 3.97Å; R684-Y723 WeakPolarHBondContact CD-OH 3.34Å; R684-Y723 HydrophobicContact CG-CE1 4.43Å; R684-Y723 VanDerWaalsContact CG-OH 3.26Å; R684-Y723 WeakPolarHBondContact CG-OH 3.43Å; L695-Y723 HydrophobicContact CD2-CE1 3.82Å; L695-Y723 WeakPolarHBondContact CD2-OH 3.24Å; E699-Y723 PolarHBondContact OE2-OH 3.12Å; V700-Y723 HydrophobicContact CG2-CD1 3.72Å; V700-Y723 HydrophobicContact CG2-CD2 3.91Å; V700-Y723 HydrophobicContact CG2-CE1 3.89Å; V700-Y723 HydrophobicContact CG2-CE2 4.04Å; V700-Y723 HydrophobicContact CG2-CG 3.75Å; I703-Y723 HydrophobicContact CD1-CD2 4.29Å; I703-Y723 HydrophobicContact CD1-CE2 3.97Å; Y723-V725 HydrophobicContact CE1-CG2 4.03Å; Y723-L779 HydrophobicContact CD1-CB 4.22Å; Y723-L779 HydrophobicContact CD1-CD1 3.94Å; Y723-L779 HydrophobicContact CD1-CG 4.12Å; Y723-L779 HydrophobicContact CE1-CD1 3.89Å; Y723-L779 HydrophobicContact CE1-CG 4.49Å; Y723-L779 PolarHBondContact O-N 3.02Å; Y723-Y780 PolarHBondContact N-O 2.9Å
724	I	97	Very high	92.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	116.4	-168.6	-48.5	179.5	0	0	0	109.6	V681 F682 Y683 R684 A722 Y776 N777 V778 M790	V681-I724 HydrophobicContact CG1-CD1 3.99Å; F682-I724 PolarHBondContact O-N 3.41Å; Y683-I724 WeakPolarHBondContact CA-O 3.43Å; Y683-I724 HydrophobicContact CD1-CB 3.93Å; Y683-I724 HydrophobicContact CD1-CD1 4.23Å; Y683-I724 HydrophobicContact CD1-CG2 4.15Å; Y683-I724 HydrophobicContact CE1-CB 4.23Å; Y683-I724 HydrophobicContact CE1-CD1 3.69Å; Y683-I724 HydrophobicContact CE1-CG1 4.5Å; Y683-I724 HydrophobicContact CE1-CG2 4.26Å; R684-I724 PolarHBondContact N-O 3.45Å; A722-I724 HydrophobicContact CB-CD1 4.45Å; A722-I724 HydrophobicContact CB-CG1 4.38Å; I724-Y776 HydrophobicContact CG2-CD1 4.18Å; I724-N777 WeakPolarHBondContact CA-O 3.17Å; I724-V778 HydrophobicContact CD1-CG2 4.49Å; I724-V778 HydrophobicContact CG1-CG2 4.23Å; I724-V778 HydrophobicContact CG2-CG2 4.45Å; I724-M790 HydrophobicContact CD1-CE 3.71Å
725	V	95.3	Very high	92.5	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	124.8	170.4	173.9	0	0	0	0	109.4	R684 V687 L692 L695 Y723 Y776 N777 L779	R684-V725 HydrophobicContact CB-CG2 4.36Å; V687-V725 HydrophobicContact CB-CG1 4.12Å; L692-V725 HydrophobicContact CD2-CB 4.46Å; L692-V725 HydrophobicContact CD2-CG1 4.25Å; L692-V725 HydrophobicContact CD2-CG2 4.07Å; L695-V725 HydrophobicContact CD2-CG2 3.54Å; Y723-V725 HydrophobicContact CE1-CG2 4.03Å; V725-Y776 WeakPolarHBondContact O-CA 3.46Å; V725-N777 PolarHBondContact N-O 3.01Å; V725-N777 PolarHBondContact O-N 3.49Å; V725-L779 HydrophobicContact CG2-CD1 3.62Å; V725-L779 HydrophobicContact CG2-CD2 4.22Å; V725-L779 HydrophobicContact CG2-CG 3.91Å
726	V	95.4	Very high	92.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	113.9	177	-174.4	0	0	0	0	108.2	Y683 R684 T774 Y776 V810	Y683-V726 HydrophobicContact CD1-CG2 3.72Å; Y683-V726 HydrophobicContact CG-CG2 4.26Å; R684-V726 PolarHBondContact O-N 3.43Å; V726-T774 HydrophobicContact CG1-CG2 3.51Å; V726-Y776 HydrophobicContact CB-CE1 4.41Å; V726-Y776 HydrophobicContact CG1-CD1 4.35Å; V726-Y776 HydrophobicContact CG1-CE1 3.85Å; V726-Y776 HydrophobicContact CG2-CD1 3.9Å; V726-Y776 HydrophobicContact CG2-CE1 3.83Å; V726-V810 HydrophobicContact CG1-CB 4.19Å; V726-V810 HydrophobicContact CG1-CG1 3.8Å
727	T	90.9	Very high	92.1	Very high	55 Å²	55	35.6 Å²	35.6	34%	0.337	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122	178.3	-64.4	0	0	0	0	110.9	S729 S775	T727-S729 VanDerWaalsContact C-N 3.25Å; T727-S729 PolarHBondContact O-N 2.7Å; T727-S775 PolarHBondContact N-O 3.44Å; T727-S775 PolarHBondContact O-N 3.44Å
728	R	85.5	Confident	91.6	Very high	60 Å²	60	32.1 Å²	32.1	23%	0.226	18%	0.175	C	C	.	.			trans	-73	75.6	173	-68.4	-172.9	-172.5	83.6	5.6	110.6	D685 M730 R809 V810	D685-R728 IonicContact OD1-CZ 2.75Å; D685-R728 IonicContact OD1-NH1 3.31Å; D685-R728 PolarHBondContact OD1-NH1 3.37Å; D685-R728 IonicContact OD2-CZ 2.64Å; D685-R728 IonicContact OD2-NH1 2.72Å; D685-R728 PolarHBondContact OD2-NH1 3.46Å; D685-R728 IonicContact OD2-NH2 3.64Å; D685-R728 PolarHBondContact OD2-NH2 2.81Å; R728-M730 PolarHBondContact O-N 2.88Å; R728-R809 VanDerWaalsContact C-NH2 3.26Å; R728-V810 HydrophobicContact CG-CG1 4.21Å
729	S	75.5	Confident	91.5	Very high	18 Å²	18	35.3 Å²	35.3	13%	0.126	18%	0.184	C	C	.	.			trans	-55	128.8	177	-168.8	0	0	0	0	110.5	T727 T732 R809	T727-S729 VanDerWaalsContact C-N 3.25Å; T727-S729 PolarHBondContact O-N 2.7Å; S729-T732 WeakPolarHBondContact OG-CB 3.38Å; S729-T732 PolarHBondContact OG-N 3.36Å; S729-T732 VanDerWaalsContact OG-N 3.08Å; S729-T732 PolarHBondContact OG-OG1 3.06Å; S729-R809 PolarHBondContact O-NH2 3.3Å
730	M	72.3	Confident	91.3	Very high	120 Å²	120	36.7 Å²	36.7	59%	0.591	19%	0.191	S	C	*	.	S	Bend	trans	-104.1	-18.8	169.9	-67.1	-176.5	60	0	0	111.1	R728 R733	R728-M730 PolarHBondContact O-N 2.88Å; M730-R733 PolarHBondContact O-NE 2.89Å; M730-R733 PolarHBondContact O-NH2 3.37Å; M730-R733 VanDerWaalsContact O-NH2 3.09Å
731	N	85.3	Confident	91.2	Very high	50 Å²	50	34 Å²	34	27%	0.267	18%	0.179	S	C	.	.	S	Bend	trans	-93.9	-32.7	-171.9	-55.3	12.4	0	0	0	111.6	N102 E238	N102-N731 PolarHBondContact ND2-O 3.07Å; N102-N731 PolarHBondContact OD1-O 2.83Å; E238-N731 VanDerWaalsContact CD-ND2 3.29Å; E238-N731 PolarHBondContact OE1-ND2 3.45Å
732	T	92.1	Very high	91.1	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.049	19%	0.191	C	C	.	.			trans	-78.7	123.8	173.3	-38.3	0	0	0	0	109.1	F103 S729 I751 Y760 P773	F103-T732 HydrophobicContact CE2-CG2 3.91Å; F103-T732 HydrophobicContact CZ-CG2 4.34Å; S729-T732 WeakPolarHBondContact OG-CB 3.38Å; S729-T732 PolarHBondContact OG-N 3.36Å; S729-T732 VanDerWaalsContact OG-N 3.08Å; S729-T732 PolarHBondContact OG-OG1 3.06Å; T732-I751 HydrophobicContact CG2-CD1 3.88Å; T732-Y760 HydrophobicContact CG2-CD1 4.16Å; T732-Y760 HydrophobicContact CG2-CD2 4.39Å; T732-Y760 HydrophobicContact CG2-CE1 3.67Å; T732-Y760 HydrophobicContact CG2-CE2 3.93Å; T732-Y760 HydrophobicContact CG2-CG 4.49Å; T732-Y760 VanDerWaalsContact OG1-CE1 3.29Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.47Å; T732-Y760 PolarHBondContact OG1-OH 3.13Å; T732-Y760 VanDerWaalsContact OG1-OH 3.04Å; T732-P773 VanDerWaalsContact O-CD 3.26Å; T732-P773 WeakPolarHBondContact O-CD 3.45Å; T732-P773 VanDerWaalsContact O-CG 3.22Å; T732-P773 WeakPolarHBondContact O-CG 3.28Å
733	R	93.3	Very high	91.1	Very high	12 Å²	12	36.3 Å²	36.3	5%	0.045	19%	0.194	C	C	.	.			trans	-128.6	148.8	172.3	-56.1	-65	-177.5	170.7	-6.1	110.1	T101 N102 E253 M730 F735 T770 V771 S772	T101-R733 CarbonylContact C-O 3.53Å; T101-R733 WeakPolarHBondContact CA-O 3.33Å; N102-R733 HydrophobicContact CB-CB 4.01Å; N102-R733 PolarHBondContact N-O 2.93Å; N102-R733 PolarHBondContact OD1-N 2.87Å; N102-R733 PolarHBondContact OD1-O 3.43Å; E253-R733 IonicContact OE1-CZ 2.85Å; E253-R733 IonicContact OE1-NE 3.12Å; E253-R733 PolarHBondContact OE1-NE 3.16Å; E253-R733 IonicContact OE1-NH2 3.99Å; E253-R733 PolarHBondContact OE1-NH2 2.83Å; M730-R733 PolarHBondContact O-NE 2.89Å; M730-R733 PolarHBondContact O-NH2 3.37Å; M730-R733 VanDerWaalsContact O-NH2 3.09Å; R733-F735 HydrophobicContact CB-CE1 4.36Å; R733-F735 HydrophobicContact CB-CE2 4.29Å; R733-F735 HydrophobicContact CB-CZ 3.84Å; R733-T770 PolarHBondContact NH1-O 2.91Å; R733-V771 VanDerWaalsContact NH1-C 3.34Å; R733-V771 PolarHBondContact NH1-O 2.88Å; R733-S772 VanDerWaalsContact NH1-CA 3.32Å; R733-S772 PolarHBondContact NH1-OG 3.32Å
734	F	94.4	Very high	91.1	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.022	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.9	165	47	-94	0	0	0	110.4	L99 Q100 T101 P741 T745 V747 I751 Y760 V762 P773	L99-F734 HydrophobicContact CB-CB 4.36Å; L99-F734 HydrophobicContact CD1-CD2 3.94Å; L99-F734 HydrophobicContact CD1-CE2 4.36Å; Q100-F734 CarbonylContact O-C 3.53Å; Q100-F734 WeakPolarHBondContact O-CA 3.48Å; T101-F734 HydrophobicContact CG2-CB 4.39Å; F734-P741 HydrophobicContact CD2-CG 3.77Å; F734-P741 HydrophobicContact CE2-CG 4.22Å; F734-P741 VanDerWaalsContact O-CD 3.3Å; F734-P741 WeakPolarHBondContact O-CD 3.41Å; F734-P741 WeakPolarHBondContact O-CG 3.48Å; F734-T745 HydrophobicContact CE2-CG2 4.06Å; F734-V747 HydrophobicContact CD1-CG2 4.19Å; F734-V747 HydrophobicContact CD2-CG2 4.1Å; F734-V747 HydrophobicContact CE1-CB 4.33Å; F734-V747 HydrophobicContact CE1-CG2 4.03Å; F734-V747 HydrophobicContact CE2-CG2 3.93Å; F734-V747 HydrophobicContact CG-CG2 4.22Å; F734-V747 HydrophobicContact CZ-CB 4.4Å; F734-V747 HydrophobicContact CZ-CG2 3.89Å; F734-I751 HydrophobicContact CD1-CD1 3.97Å; F734-Y760 HydrophobicContact CE1-CG 4.23Å; F734-V762 HydrophobicContact CE2-CG2 3.6Å; F734-V762 HydrophobicContact CZ-CG2 3.84Å; F734-P773 HydrophobicContact CD1-CG 4.31Å; F734-P773 HydrophobicContact CE1-CB 3.71Å; F734-P773 HydrophobicContact CE1-CG 3.76Å; F734-P773 HydrophobicContact CZ-CB 3.75Å; F734-P773 HydrophobicContact CZ-CG 4.26Å
735	F	94.3	Very high	91.2	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	139	-165.4	-46.7	-72.6	0	0	0	109.2	L99 Q100 T101 P395 R398 R733 Q739 T770	L99-F735 WeakPolarHBondContact CA-O 3.4Å; Q100-F735 PolarHBondContact N-O 2.89Å; Q100-F735 VanDerWaalsContact O-CD2 3.26Å; Q100-F735 WeakPolarHBondContact O-CD2 3.47Å; Q100-F735 PolarHBondContact O-N 2.84Å; T101-F735 WeakPolarHBondContact O-CE2 3.16Å; P395-F735 HydrophobicContact CB-CD1 3.76Å; P395-F735 HydrophobicContact CB-CE1 4.12Å; P395-F735 HydrophobicContact CG-CD1 4.5Å; R398-F735 HydrophobicContact CG-CZ 4.38Å; R733-F735 HydrophobicContact CB-CE1 4.36Å; R733-F735 HydrophobicContact CB-CE2 4.29Å; R733-F735 HydrophobicContact CB-CZ 3.84Å; F735-Q739 VanDerWaalsContact CA-O 3.3Å; F735-Q739 WeakPolarHBondContact CA-O 3.09Å; F735-Q739 WeakPolarHBondContact CB-O 3.2Å; F735-T770 HydrophobicContact CD1-CG2 4.46Å; F735-T770 HydrophobicContact CE1-CG2 3.64Å; F735-T770 HydrophobicContact CZ-CG2 4.5Å
736	L	94.3	Very high	91.3	Very high	35 Å²	35	36.2 Å²	36.2	18%	0.183	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-102	118.4	171.7	-178.4	60	0	0	0	107.8	V97 M98 L99 I437 G738 Q739 P742	V97-L736 HydrophobicContact CB-CD1 4.02Å; V97-L736 HydrophobicContact CG1-CD1 4.31Å; M98-L736 WeakPolarHBondContact O-CD1 3.45Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4.02Å; L99-L736 HydrophobicContact CD2-CG 4.48Å; I437-L736 HydrophobicContact CD1-CD2 4.41Å; L736-G738 VanDerWaalsContact C-N 3.25Å; L736-G738 PolarHBondContact O-N 3.41Å; L736-G738 VanDerWaalsContact O-N 3.15Å; L736-Q739 PolarHBondContact N-O 2.8Å; L736-Q739 VanDerWaalsContact N-O 3.13Å; L736-Q739 WeakPolarHBondContact O-CA 3.39Å; L736-Q739 WeakPolarHBondContact O-CB 3.16Å; L736-Q739 PolarHBondContact O-N 2.9Å; L736-P742 HydrophobicContact CD2-CG 4.45Å
737	N	89.5	Confident	91.4	Very high	138 Å²	138	36.2 Å²	36.2	74%	0.738	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	41	177.8	-57.3	-12.9	0	0	0	114	Q739	N737-Q739 PolarHBondContact O-N 3.04Å
738	G	85.7	Confident	91.6	Very high	23 Å²	23	33.8 Å²	33.8	24%	0.237	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	12	-176.8	0	0	0	0	0	115.3	P395 K396 L736	P395-G738 WeakPolarHBondContact CB-O 3.34Å; K396-G738 PolarHBondContact N-O 2.92Å; L736-G738 VanDerWaalsContact C-N 3.25Å; L736-G738 PolarHBondContact O-N 3.41Å; L736-G738 VanDerWaalsContact O-N 3.15Å
739	Q	92.5	Very high	91.9	Very high	135 Å²	135	32 Å²	32	63%	0.631	17%	0.173	S	C	*	.	B	Isolated β-bridge	trans	-117.8	178.8	177.6	-54.2	-164.2	26.2	0	0	112.3	F735 L736 N737	F735-Q739 VanDerWaalsContact CA-O 3.3Å; F735-Q739 WeakPolarHBondContact CA-O 3.09Å; F735-Q739 WeakPolarHBondContact CB-O 3.2Å; L736-Q739 PolarHBondContact N-O 2.8Å; L736-Q739 VanDerWaalsContact N-O 3.13Å; L736-Q739 WeakPolarHBondContact O-CA 3.39Å; L736-Q739 WeakPolarHBondContact O-CB 3.16Å; L736-Q739 PolarHBondContact O-N 2.9Å; N737-Q739 PolarHBondContact O-N 3.04Å
740	N	94.6	Very high	92.6	Very high	44 Å²	44	32.7 Å²	32.7	24%	0.235	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-72.2	132	173.6	-79.5	-45	0	0	0	109.1	P395 G769 T770 V771	P395-N740 HydrophobicContact CG-CB 4.29Å; P395-N740 VanDerWaalsContact CG-CG 3.48Å; P395-N740 VanDerWaalsContact CG-OD1 3.25Å; P395-N740 WeakPolarHBondContact CG-OD1 3.33Å; N740-G769 PolarHBondContact ND2-O 3.41Å; N740-T770 WeakPolarHBondContact OD1-CA 3.49Å; N740-V771 HydrophobicContact CB-CG2 3.75Å; N740-V771 PolarHBondContact OD1-N 2.84Å
741	P	95.4	Very high	93.6	Very high	3 Å²	3	27 Å²	27	2%	0.019	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-63.5	146.1	173.8	-17	29.5	0	0	0	111.4	L99 F734 T745 V762	L99-P741 HydrophobicContact CD2-CG 4.46Å; F734-P741 HydrophobicContact CD2-CG 3.77Å; F734-P741 HydrophobicContact CE2-CG 4.22Å; F734-P741 VanDerWaalsContact O-CD 3.3Å; F734-P741 WeakPolarHBondContact O-CD 3.41Å; F734-P741 WeakPolarHBondContact O-CG 3.48Å; P741-T745 HydrophobicContact CB-CG2 3.92Å; P741-T745 WeakPolarHBondContact CB-OG1 3.28Å; P741-V762 HydrophobicContact CB-CG2 4.42Å
742	P	96.1	Very high	94	Very high	42 Å²	42	24.6 Å²	24.6	27%	0.273	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-70.6	161.3	179.4	28.6	-35.1	0	0	0	112.8	I437 L736 G744 T745	I437-P742 HydrophobicContact CD1-CG 3.58Å; I437-P742 HydrophobicContact CG1-CG 4.18Å; I437-P742 HydrophobicContact CG2-CG 4.48Å; L736-P742 HydrophobicContact CD2-CG 4.45Å; P742-G744 PolarHBondContact O-N 3.19Å; P742-T745 WeakPolarHBondContact CD-OG1 3.36Å; P742-T745 WeakPolarHBondContact O-CB 3.29Å; P742-T745 PolarHBondContact O-N 2.83Å; P742-T745 PolarHBondContact O-OG1 2.9Å
743	P	97.4	Very high	93.8	Very high	11 Å²	11	25 Å²	25	7%	0.071	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	135.1	166.4	-27.4	36.9	0	0	0	112.2	A456 V762 Q765 Y795	A456-P743 HydrophobicContact CB-CB 3.63Å; A456-P743 HydrophobicContact CB-CG 3.79Å; P743-V762 CarbonylContact C-O 3.49Å; P743-V762 WeakPolarHBondContact CA-O 3.28Å; P743-Q765 HydrophobicContact CG-CB 3.95Å; P743-Q765 HydrophobicContact CG-CG 4.22Å; P743-Y795 VanDerWaalsContact C-OH 3.29Å; P743-Y795 WeakPolarHBondContact CB-OH 3.42Å
744	G	97.3	Very high	93.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-2.7	-177.3	0	0	0	0	0	114.6	I438 P742 I746 V762 Y795	I438-G744 PolarHBondContact N-O 3.38Å; P742-G744 PolarHBondContact O-N 3.19Å; G744-I746 PolarHBondContact O-N 3.5Å; G744-V762 PolarHBondContact N-O 3.08Å; G744-Y795 VanDerWaalsContact CA-CZ 3.47Å; G744-Y795 PolarHBondContact N-OH 2.69Å
745	T	98	Very high	93.1	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	127.8	174.9	-50.7	0	0	0	0	111.3	L99 R436 F734 P741 P742 L761 V762	L99-T745 HydrophobicContact CD1-CG2 3.67Å; L99-T745 HydrophobicContact CD2-CG2 4.23Å; R436-T745 CarbonylContact O-C 3.51Å; R436-T745 WeakPolarHBondContact O-CA 3.13Å; F734-T745 HydrophobicContact CE2-CG2 4.06Å; P741-T745 HydrophobicContact CB-CG2 3.92Å; P741-T745 WeakPolarHBondContact CB-OG1 3.28Å; P742-T745 WeakPolarHBondContact CD-OG1 3.36Å; P742-T745 WeakPolarHBondContact O-CB 3.29Å; P742-T745 PolarHBondContact O-N 2.83Å; P742-T745 PolarHBondContact O-OG1 2.9Å; T745-L761 WeakPolarHBondContact O-CA 3.41Å; T745-V762 PolarHBondContact O-N 3.24Å
746	I	98.1	Very high	92.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	145	179.1	-68.1	-168.7	0	0	0	111.3	G435 R436 I438 G744 D748 Y760 L761 Q791	G435-I746 CarbonylContact C-O 3.54Å; G435-I746 WeakPolarHBondContact CA-O 3.24Å; R436-I746 PolarHBondContact N-O 3.08Å; R436-I746 PolarHBondContact O-N 3.45Å; I438-I746 HydrophobicContact CD1-CD1 3.5Å; I438-I746 VanDerWaalsContact CD1-CD1 3.5Å; I438-I746 HydrophobicContact CD1-CG1 4.44Å; I438-I746 HydrophobicContact CG1-CD1 4.09Å; G744-I746 PolarHBondContact O-N 3.5Å; I746-D748 HydrophobicContact CG2-CB 4.5Å; I746-Y760 VanDerWaalsContact CA-O 3.27Å; I746-Y760 WeakPolarHBondContact CA-O 3.45Å; I746-L761 HydrophobicContact CD1-CD1 4.12Å; I746-L761 HydrophobicContact CG1-CB 4.11Å; I746-L761 HydrophobicContact CG1-CD1 3.67Å; I746-L761 HydrophobicContact CG1-CG 4.45Å; I746-Q791 HydrophobicContact CD1-CB 3.63Å; I746-Q791 HydrophobicContact CD1-CG 3.98Å
747	V	97.4	Very high	92.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	117.2	166.8	-179.6	0	0	0	0	109	L99 V433 F734 D749 I751 Y760	L99-V747 HydrophobicContact CD1-CG2 3.5Å; V433-V747 HydrophobicContact CG1-CG1 3.62Å; F734-V747 HydrophobicContact CD1-CG2 4.19Å; F734-V747 HydrophobicContact CD2-CG2 4.1Å; F734-V747 HydrophobicContact CE1-CB 4.33Å; F734-V747 HydrophobicContact CE1-CG2 4.03Å; F734-V747 HydrophobicContact CE2-CG2 3.93Å; F734-V747 HydrophobicContact CG-CG2 4.22Å; F734-V747 HydrophobicContact CZ-CB 4.4Å; F734-V747 HydrophobicContact CZ-CG2 3.89Å; V747-D749 WeakPolarHBondContact CG1-O 3.49Å; V747-I751 HydrophobicContact CG1-CD1 3.91Å; V747-I751 HydrophobicContact CG1-CG1 3.64Å; V747-Y760 PolarHBondContact N-O 3.42Å; V747-Y760 PolarHBondContact O-N 2.91Å
748	D	95.6	Very high	93.1	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.027	12%	0.12	C	C	.	.			trans	-119.5	1.5	-179	45.7	6.9	0	0	0	113.7	K89 K90 G91 R436 I746 T752 F759 Q791	K89-D748 WeakPolarHBondContact CE-O 3.4Å; K90-D748 WeakPolarHBondContact CA-OD2 3.49Å; G91-D748 PolarHBondContact N-OD2 2.91Å; R436-D748 IonicContact CZ-OD2 2.67Å; R436-D748 IonicContact NH2-OD1 2.63Å; R436-D748 IonicContact NH2-OD2 2.72Å; R436-D748 PolarHBondContact NH2-OD2 3Å; I746-D748 HydrophobicContact CG2-CB 4.5Å; D748-T752 VanDerWaalsContact C-OG1 3.29Å; D748-T752 PolarHBondContact O-OG1 3.31Å; D748-F759 HydrophobicContact CB-CB 3.88Å; D748-Q791 PolarHBondContact OD2-NE2 3.19Å
749	D	90.3	Very high	93.6	Very high	21 Å²	21	20.9 Å²	20.9	11%	0.112	11%	0.109	C	C	.	.	S	Bend	trans	-128.7	168.3	-179.7	-168.4	27.5	0	0	0	112.2	K90 V747 I751 T752	K90-D749 HydrophobicContact CD-CB 4.07Å; K90-D749 VanDerWaalsContact CE-OD2 3.29Å; K90-D749 WeakPolarHBondContact CE-OD2 3.38Å; K90-D749 HydrophobicContact CG-CB 4.34Å; K90-D749 IonicContact NZ-OD1 2.63Å; K90-D749 IonicContact NZ-OD2 2.66Å; K90-D749 PolarHBondContact NZ-OD2 3.46Å; V747-D749 WeakPolarHBondContact CG1-O 3.49Å; D749-I751 PolarHBondContact O-N 3.01Å; D749-T752 VanDerWaalsContact CA-OG1 3.3Å; D749-T752 WeakPolarHBondContact CA-OG1 3.4Å; D749-T752 PolarHBondContact N-OG1 2.94Å
750	V	91.3	Very high	93.9	Very high	33 Å²	33	15.3 Å²	15.3	20%	0.2	8%	0.083	C	C	.	.	S	Bend	trans	61	-46	171.6	-170.1	0	0	0	0	117.3	H244 L249 T431 V433	H244-V750 WeakPolarHBondContact CB-O 3.33Å; L249-V750 HydrophobicContact CD1-CG1 4.46Å; L249-V750 WeakPolarHBondContact CD1-O 3.33Å; T431-V750 HydrophobicContact CG2-CG1 3.95Å; V433-V750 HydrophobicContact CB-CB 4.41Å; V433-V750 HydrophobicContact CG1-CB 3.88Å; V433-V750 HydrophobicContact CG1-CG2 4.01Å; V433-V750 HydrophobicContact CG2-CB 3.72Å; V433-V750 HydrophobicContact CG2-CG1 3.78Å; V433-V750 HydrophobicContact CG2-CG2 4.38Å
751	I	93	Very high	94.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-108.3	-1.1	176.7	56	167.1	0	0	0	113.2	T101 F103 H244 L249 V433 T732 F734 V747 D749 Y760	T101-I751 HydrophobicContact CG2-CD1 4.05Å; T101-I751 HydrophobicContact CG2-CG2 4.05Å; F103-I751 HydrophobicContact CB-CG2 4.4Å; F103-I751 HydrophobicContact CD1-CG2 4.43Å; F103-I751 HydrophobicContact CD2-CB 4.45Å; F103-I751 HydrophobicContact CD2-CG2 3.72Å; F103-I751 HydrophobicContact CE2-CB 4.3Å; F103-I751 HydrophobicContact CE2-CG2 4.07Å; F103-I751 HydrophobicContact CG-CG2 3.93Å; H244-I751 PolarHBondContact CE1-O 3.35Å; H244-I751 VanDerWaalsContact CE1-O 3.26Å; H244-I751 VanDerWaalsContact ND1-C 3.34Å; H244-I751 PolarHBondContact ND1-O 2.79Å; H244-I751 VanDerWaalsContact ND1-O 3.15Å; L249-I751 HydrophobicContact CD1-CG2 3.89Å; V433-I751 HydrophobicContact CG2-CG2 4.17Å; T732-I751 HydrophobicContact CG2-CD1 3.88Å; F734-I751 HydrophobicContact CD1-CD1 3.97Å; V747-I751 HydrophobicContact CG1-CD1 3.91Å; V747-I751 HydrophobicContact CG1-CG1 3.64Å; D749-I751 PolarHBondContact O-N 3.01Å; I751-Y760 HydrophobicContact CD1-CD2 4.46Å; I751-Y760 HydrophobicContact CG1-CD2 4.49Å; I751-Y760 HydrophobicContact CG1-CE2 4.39Å
752	T	93.1	Very high	94.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-73	174.9	162.3	41.7	0	0	0	0	111.3	H244 E245 D748 D749 D758 Y760	H244-T752 PolarHBondContact ND1-O 3.46Å; E245-T752 WeakPolarHBondContact CG-OG1 3.41Å; D748-T752 VanDerWaalsContact C-OG1 3.29Å; D748-T752 PolarHBondContact O-OG1 3.31Å; D749-T752 VanDerWaalsContact CA-OG1 3.3Å; D749-T752 WeakPolarHBondContact CA-OG1 3.4Å; D749-T752 PolarHBondContact N-OG1 2.94Å; T752-D758 VanDerWaalsContact CB-OD1 3.31Å; T752-D758 WeakPolarHBondContact CB-OD1 3.21Å; T752-D758 WeakPolarHBondContact CG2-O 3.33Å; T752-Y760 HydrophobicContact CG2-CD2 4.15Å; T752-Y760 HydrophobicContact CG2-CE2 4.2Å
753	L	89.2	Confident	94.2	Very high	16 Å²	16	11.3 Å²	11.3	8%	0.084	6%	0.059	C	C	.	.			trans	-112.8	132.6	-173.5	-69.9	173.1	0	0	0	112.8	K89 E245 E755 R756 D758	K89-L753 PolarHBondContact NZ-O 3.3Å; E245-L753 PolarHBondContact OE1-N 2.87Å; E245-L753 VanDerWaalsContact OE1-O 3.1Å; L753-E755 VanDerWaalsContact C-N 3.27Å; L753-E755 PolarHBondContact O-N 3.32Å; L753-R756 HydrophobicContact CB-CB 4.44Å; L753-R756 HydrophobicContact CB-CG 4.07Å; L753-R756 VanDerWaalsContact CD1-NE 3.32Å; L753-R756 PolarHBondContact O-N 3.44Å; L753-D758 PolarHBondContact N-OD1 2.97Å; L753-D758 PolarHBondContact N-OD2 3.28Å
754	P	87.6	Confident	94	Very high	44 Å²	44	13.5 Å²	13.5	29%	0.286	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-38.5	-169.8	-23.9	31.2	0	0	0	113.6	R82 Q243 H244 E245 R756	R82-P754 WeakPolarHBondContact CD-O 3.44Å; Q243-P754 HydrophobicContact CG-CG 4.42Å; H244-P754 VanDerWaalsContact C-CG 3.47Å; H244-P754 VanDerWaalsContact O-CG 3.31Å; H244-P754 WeakPolarHBondContact O-CG 3.38Å; E245-P754 WeakPolarHBondContact OE1-CA 3.48Å; E245-P754 VanDerWaalsContact OE1-N 3.15Å; P754-R756 PolarHBondContact O-N 3.24Å; P754-R756 VanDerWaalsContact O-N 3.14Å
755	E	85.4	Confident	93.7	Very high	38 Å²	38	16 Å²	16	18%	0.178	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	9.8	-177.7	84.8	-71.3	176.2	0	0	113.3	Y78 N80 T81 R82 L753	Y78-E755 HydrophobicContact CD1-CG 4.16Å; N80-E755 CarbonylContact C-O 3.49Å; N80-E755 WeakPolarHBondContact CA-O 3.42Å; N80-E755 HydrophobicContact CB-CB 4.5Å; N80-E755 PolarHBondContact OD1-O 3.44Å; T81-E755 PolarHBondContact N-O 2.81Å; R82-E755 PolarHBondContact N-O 2.66Å; L753-E755 VanDerWaalsContact C-N 3.27Å; L753-E755 PolarHBondContact O-N 3.32Å
756	R	89.3	Confident	93.3	Very high	33 Å²	33	18.5 Å²	18.5	13%	0.125	10%	0.095	C	C	.	.	S	Bend	trans	-132.9	145.4	-171.6	-55.2	-174.8	-163.8	-146.1	-10.7	113.4	T81 K89 L753 P754 D758	T81-R756 WeakPolarHBondContact OG1-CA 3.4Å; K89-R756 VanDerWaalsContact CD-O 3.28Å; K89-R756 WeakPolarHBondContact CD-O 3.34Å; K89-R756 PolarHBondContact NZ-O 3.38Å; L753-R756 HydrophobicContact CB-CB 4.44Å; L753-R756 HydrophobicContact CB-CG 4.07Å; L753-R756 VanDerWaalsContact CD1-NE 3.32Å; L753-R756 PolarHBondContact O-N 3.44Å; P754-R756 PolarHBondContact O-N 3.24Å; P754-R756 VanDerWaalsContact O-N 3.14Å; R756-D758 VanDerWaalsContact C-N 3.32Å; R756-D758 HydrophobicContact CB-CB 3.9Å; R756-D758 PolarHBondContact O-N 2.9Å
757	Y	93.8	Very high	92.6	Very high	8 Å²	8	27.9 Å²	27.9	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	77.7	155.3	-179	-168.9	0	0	0	108.7	L86 K89 V778 P787	L86-Y757 HydrophobicContact CD2-CD1 3.63Å; L86-Y757 HydrophobicContact CD2-CD2 3.67Å; L86-Y757 HydrophobicContact CD2-CE1 4.04Å; L86-Y757 HydrophobicContact CD2-CE2 4.09Å; L86-Y757 HydrophobicContact CD2-CG 3.44Å; L86-Y757 VanDerWaalsContact CD2-CG 3.44Å; K89-Y757 HydrophobicContact CB-CD2 3.91Å; K89-Y757 HydrophobicContact CB-CE2 4.32Å; Y757-V778 HydrophobicContact CD1-CB 3.58Å; Y757-V778 HydrophobicContact CD1-CG1 3.74Å; Y757-V778 HydrophobicContact CD1-CG2 3.95Å; Y757-V778 HydrophobicContact CD2-CG2 4.33Å; Y757-V778 HydrophobicContact CE1-CB 4.04Å; Y757-V778 HydrophobicContact CE1-CG1 3.96Å; Y757-V778 HydrophobicContact CE1-CG2 3.99Å; Y757-V778 HydrophobicContact CE2-CG2 4.35Å; Y757-V778 HydrophobicContact CG-CB 3.87Å; Y757-V778 HydrophobicContact CG-CG2 4.12Å; Y757-V778 WeakPolarHBondContact O-CB 3.49Å; Y757-V778 PolarHBondContact O-N 3.38Å; Y757-P787 HydrophobicContact CE2-CB 4.2Å; Y757-P787 HydrophobicContact CE2-CG 4.25Å; Y757-P787 WeakPolarHBondContact OH-CA 3.4Å
758	D	94.3	Very high	91.9	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	155.9	-179.5	68.6	-18.9	0	0	0	114	K89 T752 L753 R756 Y776 N777	K89-D758 IonicContact NZ-OD1 3.52Å; K89-D758 PolarHBondContact NZ-OD1 2.8Å; T752-D758 VanDerWaalsContact CB-OD1 3.31Å; T752-D758 WeakPolarHBondContact CB-OD1 3.21Å; T752-D758 WeakPolarHBondContact CG2-O 3.33Å; L753-D758 PolarHBondContact N-OD1 2.97Å; L753-D758 PolarHBondContact N-OD2 3.28Å; R756-D758 VanDerWaalsContact C-N 3.32Å; R756-D758 HydrophobicContact CB-CB 3.9Å; R756-D758 PolarHBondContact O-N 2.9Å; D758-Y776 CarbonylContact C-O 3.59Å; D758-Y776 WeakPolarHBondContact CA-O 3.46Å; D758-Y776 WeakPolarHBondContact CB-O 3.45Å; D758-N777 HydrophobicContact CB-CB 4.18Å
759	F	97.1	Very high	91.5	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	160.5	172.7	64.2	-87.9	0	0	0	111.4	D748 L761 S775 Y776 Q791 T794	D748-F759 HydrophobicContact CB-CB 3.88Å; F759-L761 HydrophobicContact CD2-CB 4.39Å; F759-L761 HydrophobicContact CE2-CB 4.28Å; F759-S775 WeakPolarHBondContact O-CA 3.35Å; F759-Y776 HydrophobicContact CD2-CD2 4.12Å; F759-Y776 HydrophobicContact CE1-CG 4.5Å; F759-Y776 AromaticContact CE2-CD2 3.61Å; F759-Y776 HydrophobicContact CE2-CD2 3.61Å; F759-Y776 HydrophobicContact CE2-CE2 4.44Å; F759-Y776 AromaticContact CE2-CG 3.83Å; F759-Y776 HydrophobicContact CE2-CG 3.83Å; F759-Y776 HydrophobicContact CZ-CD2 4.11Å; F759-Y776 AromaticContact CZ-CG 3.83Å; F759-Y776 HydrophobicContact CZ-CG 3.83Å; F759-Y776 PolarHBondContact N-O 2.81Å; F759-Y776 PolarHBondContact O-N 3.28Å; F759-Q791 HydrophobicContact CD1-CG 4.03Å; F759-Q791 HydrophobicContact CD2-CG 3.9Å; F759-Q791 HydrophobicContact CE1-CG 4.02Å; F759-Q791 HydrophobicContact CE2-CB 4.44Å; F759-Q791 HydrophobicContact CE2-CG 3.89Å; F759-Q791 HydrophobicContact CG-CG 3.97Å; F759-Q791 HydrophobicContact CZ-CG 3.96Å; F759-T794 HydrophobicContact CE2-CG2 4.45Å; F759-T794 HydrophobicContact CZ-CG2 4.26Å
760	Y	97.8	Very high	91.4	Very high	19 Å²	19	34.4 Å²	34.4	8%	0.075	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.7	169.2	-63.5	-84.1	0	0	0	110.5	T732 F734 I746 V747 I751 T752 P773 T774	T732-Y760 HydrophobicContact CG2-CD1 4.16Å; T732-Y760 HydrophobicContact CG2-CD2 4.39Å; T732-Y760 HydrophobicContact CG2-CE1 3.67Å; T732-Y760 HydrophobicContact CG2-CE2 3.93Å; T732-Y760 HydrophobicContact CG2-CG 4.49Å; T732-Y760 VanDerWaalsContact OG1-CE1 3.29Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.47Å; T732-Y760 PolarHBondContact OG1-OH 3.13Å; T732-Y760 VanDerWaalsContact OG1-OH 3.04Å; F734-Y760 HydrophobicContact CE1-CG 4.23Å; I746-Y760 VanDerWaalsContact CA-O 3.27Å; I746-Y760 WeakPolarHBondContact CA-O 3.45Å; V747-Y760 PolarHBondContact N-O 3.42Å; V747-Y760 PolarHBondContact O-N 2.91Å; I751-Y760 HydrophobicContact CD1-CD2 4.46Å; I751-Y760 HydrophobicContact CG1-CD2 4.49Å; I751-Y760 HydrophobicContact CG1-CE2 4.39Å; T752-Y760 HydrophobicContact CG2-CD2 4.15Å; T752-Y760 HydrophobicContact CG2-CE2 4.2Å; Y760-P773 HydrophobicContact CD1-CB 4.49Å; Y760-T774 WeakPolarHBondContact CA-O 3.34Å
761	L	97.9	Very high	91.4	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.1	173.1	162.2	66.6	0	0	0	110.1	T745 I746 F759 S763 T774 Y776 T794 Y795	T745-L761 WeakPolarHBondContact O-CA 3.41Å; I746-L761 HydrophobicContact CD1-CD1 4.12Å; I746-L761 HydrophobicContact CG1-CB 4.11Å; I746-L761 HydrophobicContact CG1-CD1 3.67Å; I746-L761 HydrophobicContact CG1-CG 4.45Å; F759-L761 HydrophobicContact CD2-CB 4.39Å; F759-L761 HydrophobicContact CE2-CB 4.28Å; L761-S763 PolarHBondContact O-N 2.99Å; L761-T774 PolarHBondContact N-O 2.77Å; L761-T774 PolarHBondContact O-N 2.9Å; L761-Y776 HydrophobicContact CB-CD2 4.25Å; L761-Y776 HydrophobicContact CB-CE2 3.87Å; L761-Y776 HydrophobicContact CD2-CE2 4.17Å; L761-Y776 HydrophobicContact CG-CE2 4.44Å; L761-T794 HydrophobicContact CD2-CG2 4.16Å; L761-Y795 HydrophobicContact CD1-CD2 4.06Å; L761-Y795 HydrophobicContact CD1-CG 4.39Å; L761-Y795 HydrophobicContact CD2-CD2 4.26Å
762	V	97.7	Very high	91.2	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	93.8	162.1	173.6	0	0	0	0	107.4	F734 P741 P743 G744 T745 V771 P773	F734-V762 HydrophobicContact CE2-CG2 3.6Å; F734-V762 HydrophobicContact CZ-CG2 3.84Å; P741-V762 HydrophobicContact CB-CG2 4.42Å; P743-V762 CarbonylContact C-O 3.49Å; P743-V762 WeakPolarHBondContact CA-O 3.28Å; G744-V762 PolarHBondContact N-O 3.08Å; T745-V762 PolarHBondContact O-N 3.24Å; V762-V771 HydrophobicContact CB-CG1 4.25Å; V762-V771 HydrophobicContact CG1-CG1 3.63Å; V762-V771 HydrophobicContact CG2-CG1 3.65Å; V762-P773 HydrophobicContact CG2-CB 4.05Å
763	S	96.6	Very high	91.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.014	17%	0.167	C	C	.	.			trans	-84.1	-35.5	175.3	56.7	0	0	0	0	112.5	L761 T807 T808 R809	L761-S763 PolarHBondContact O-N 2.99Å; S763-T807 WeakPolarHBondContact O-CB 3.39Å; S763-T807 PolarHBondContact O-OG1 2.93Å; S763-T808 WeakPolarHBondContact CB-O 3.4Å; S763-T808 PolarHBondContact OG-O 2.85Å; S763-R809 VanDerWaalsContact OG-CA 3.29Å; S763-R809 WeakPolarHBondContact OG-CA 3.18Å; S763-R809 PolarHBondContact OG-O 2.86Å
764	Q	93.8	Very high	91.7	Very high	57 Å²	57	33.9 Å²	33.9	27%	0.266	16%	0.164	S	C	.	.	S	Bend	trans	-119.8	126.2	-170.5	173.7	171.8	71.6	0	0	112.1	T807 R809	Q764-T807 WeakPolarHBondContact CG-O 3.03Å; Q764-T807 PolarHBondContact NE2-O 2.83Å; Q764-R809 HydrophobicContact CB-CB 4.3Å
765	Q	91.4	Very high	92.1	Very high	51 Å²	51	32.5 Å²	32.5	24%	0.238	16%	0.155	C	C	.	.			trans	-68.9	158.6	171.6	55.3	139.3	-41.4	0	0	113.1	N455 P743	N455-Q765 WeakPolarHBondContact O-CG 3.09Å; N455-Q765 PolarHBondContact O-NE2 2.84Å; P743-Q765 HydrophobicContact CG-CB 3.95Å; P743-Q765 HydrophobicContact CG-CG 4.22Å
766	V	88.3	Confident	92.6	Very high	53 Å²	53	30.7 Å²	30.7	32%	0.321	15%	0.147	S	C	.	.			trans	-128.1	131.3	171.9	-54.7	0	0	0	0	111.2	Q768 V771	V766-Q768 VanDerWaalsContact C-N 3.28Å; V766-Q768 WeakPolarHBondContact CG2-O 3.43Å; V766-Q768 PolarHBondContact O-N 2.8Å; V766-V771 HydrophobicContact CG1-CG2 4.39Å; V766-V771 HydrophobicContact CG2-CG2 3.85Å
767	R	84.6	Confident	92.8	Very high	198 Å²	198	29.5 Å²	29.5	75%	0.747	14%	0.142	S	C	*	.	S	Bend	trans	-73.9	-15.8	179.5	-60.7	-174.8	-175.7	-176	1.7	114	D457	D457-R767 IonicContact OD2-NH2 2.74Å
768	Q	81.6	Confident	92.9	Very high	135 Å²	135	29.2 Å²	29.2	63%	0.631	14%	0.142	S	C	*	.	S	Bend	trans	-148.9	148	-179.9	-70.3	-175	-11.3	0	0	110.1	V766	V766-Q768 VanDerWaalsContact C-N 3.28Å; V766-Q768 WeakPolarHBondContact CG2-O 3.43Å; V766-Q768 PolarHBondContact O-N 2.8Å
769	G	87.4	Confident	92.8	Very high	12 Å²	12	29.3 Å²	29.3	12%	0.124	14%	0.142	C	C	.	.	S	Bend	trans	75.7	-153.9	179.4	0	0	0	0	0	113.4	M393 N740	M393-G769 CarbonylContact O-C 3.48Å; M393-G769 VanDerWaalsContact O-CA 3.28Å; M393-G769 WeakPolarHBondContact O-CA 3.41Å; N740-G769 PolarHBondContact ND2-O 3.41Å
770	T	88.1	Confident	92.7	Very high	15 Å²	15	33 Å²	33	9%	0.092	16%	0.157	C	C	.	.			trans	-107.3	133.2	-176.5	-40.5	0	0	0	0	111.8	M393 R398 R733 F735 N740 S772	M393-T770 PolarHBondContact O-N 3.17Å; M393-T770 PolarHBondContact O-OG1 3.05Å; R398-T770 PolarHBondContact NE-OG1 2.85Å; R398-T770 PolarHBondContact NH2-OG1 2.92Å; R733-T770 PolarHBondContact NH1-O 2.91Å; F735-T770 HydrophobicContact CD1-CG2 4.46Å; F735-T770 HydrophobicContact CE1-CG2 3.64Å; F735-T770 HydrophobicContact CZ-CG2 4.5Å; N740-T770 WeakPolarHBondContact OD1-CA 3.49Å; T770-S772 PolarHBondContact O-N 3.07Å
771	V	90.7	Very high	92.5	Very high	5 Å²	5	34 Å²	34	3%	0.03	17%	0.166	C	C	.	.			trans	-55.2	136.8	168.6	166.4	0	0	0	0	109.9	R733 N740 V762 V766	R733-V771 VanDerWaalsContact NH1-C 3.34Å; R733-V771 PolarHBondContact NH1-O 2.88Å; N740-V771 HydrophobicContact CB-CG2 3.75Å; N740-V771 PolarHBondContact OD1-N 2.84Å; V762-V771 HydrophobicContact CB-CG1 4.25Å; V762-V771 HydrophobicContact CG1-CG1 3.63Å; V762-V771 HydrophobicContact CG2-CG1 3.65Å; V766-V771 HydrophobicContact CG1-CG2 4.39Å; V766-V771 HydrophobicContact CG2-CG2 3.85Å
772	S	90.5	Very high	92.3	Very high	31 Å²	31	36.2 Å²	36.2	22%	0.217	18%	0.182	C	C	.	.			trans	-109.6	105.3	171.9	-45.4	0	0	0	0	107.4	R733 T770 R809	R733-S772 VanDerWaalsContact NH1-CA 3.32Å; R733-S772 PolarHBondContact NH1-OG 3.32Å; T770-S772 PolarHBondContact O-N 3.07Å; S772-R809 VanDerWaalsContact CB-NH2 3.32Å; S772-R809 PolarHBondContact O-NE 2.96Å; S772-R809 PolarHBondContact O-NH2 3.44Å
773	P	95	Very high	92	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.013	18%	0.181	C	C	.	.			trans	-62.8	161.3	-178.8	27.4	-35	0	0	0	111.1	T732 F734 Y760 V762 R809	T732-P773 VanDerWaalsContact O-CD 3.26Å; T732-P773 WeakPolarHBondContact O-CD 3.45Å; T732-P773 VanDerWaalsContact O-CG 3.22Å; T732-P773 WeakPolarHBondContact O-CG 3.28Å; F734-P773 HydrophobicContact CD1-CG 4.31Å; F734-P773 HydrophobicContact CE1-CB 3.71Å; F734-P773 HydrophobicContact CE1-CG 3.76Å; F734-P773 HydrophobicContact CZ-CB 3.75Å; F734-P773 HydrophobicContact CZ-CG 4.26Å; Y760-P773 HydrophobicContact CD1-CB 4.49Å; V762-P773 HydrophobicContact CG2-CB 4.05Å; P773-R809 PolarHBondContact O-NH2 3.5Å
774	T	96.6	Very high	91.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.7	172.3	-61.6	0	0	0	0	108.7	V726 Y760 L761 Y776 R809 V810	V726-T774 HydrophobicContact CG1-CG2 3.51Å; Y760-T774 WeakPolarHBondContact CA-O 3.34Å; L761-T774 PolarHBondContact N-O 2.77Å; L761-T774 PolarHBondContact O-N 2.9Å; T774-Y776 HydrophobicContact CG2-CD2 4.22Å; T774-Y776 HydrophobicContact CG2-CE1 4.19Å; T774-Y776 HydrophobicContact CG2-CE2 3.51Å; T774-Y776 WeakPolarHBondContact O-CD2 3.22Å; T774-Y776 WeakPolarHBondContact O-CE2 3.28Å; T774-R809 WeakPolarHBondContact CB-O 3.41Å; T774-R809 WeakPolarHBondContact OG1-CG 3.17Å; T774-R809 PolarHBondContact OG1-NE 2.91Å; T774-R809 PolarHBondContact OG1-O 3.3Å; T774-V810 HydrophobicContact CG2-CG1 4.25Å
775	S	95.4	Very high	91.5	Very high	15 Å²	15	38.8 Å²	38.8	11%	0.105	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136.8	174	179.3	0	0	0	0	109.1	T727 F759	T727-S775 PolarHBondContact N-O 3.44Å; T727-S775 PolarHBondContact O-N 3.44Å; F759-S775 WeakPolarHBondContact O-CA 3.35Å
776	Y	96.6	Very high	91.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.5	176.3	-64	-91	0	0	0	107.1	Y683 I724 V725 V726 D758 F759 L761 T774 T794 P811	Y683-Y776 HydrophobicContact CD1-CD1 4.48Å; Y683-Y776 HydrophobicContact CE1-CD1 4.32Å; Y683-Y776 HydrophobicContact CE1-CE1 4.41Å; I724-Y776 HydrophobicContact CG2-CD1 4.18Å; V725-Y776 WeakPolarHBondContact O-CA 3.46Å; V726-Y776 HydrophobicContact CB-CE1 4.41Å; V726-Y776 HydrophobicContact CG1-CD1 4.35Å; V726-Y776 HydrophobicContact CG1-CE1 3.85Å; V726-Y776 HydrophobicContact CG2-CD1 3.9Å; V726-Y776 HydrophobicContact CG2-CE1 3.83Å; D758-Y776 CarbonylContact C-O 3.59Å; D758-Y776 WeakPolarHBondContact CA-O 3.46Å; D758-Y776 WeakPolarHBondContact CB-O 3.45Å; F759-Y776 HydrophobicContact CD2-CD2 4.12Å; F759-Y776 HydrophobicContact CE1-CG 4.5Å; F759-Y776 AromaticContact CE2-CD2 3.61Å; F759-Y776 HydrophobicContact CE2-CD2 3.61Å; F759-Y776 HydrophobicContact CE2-CE2 4.44Å; F759-Y776 AromaticContact CE2-CG 3.83Å; F759-Y776 HydrophobicContact CE2-CG 3.83Å; F759-Y776 HydrophobicContact CZ-CD2 4.11Å; F759-Y776 AromaticContact CZ-CG 3.83Å; F759-Y776 HydrophobicContact CZ-CG 3.83Å; F759-Y776 PolarHBondContact N-O 2.81Å; F759-Y776 PolarHBondContact O-N 3.28Å; L761-Y776 HydrophobicContact CB-CD2 4.25Å; L761-Y776 HydrophobicContact CB-CE2 3.87Å; L761-Y776 HydrophobicContact CD2-CE2 4.17Å; L761-Y776 HydrophobicContact CG-CE2 4.44Å; T774-Y776 HydrophobicContact CG2-CD2 4.22Å; T774-Y776 HydrophobicContact CG2-CE1 4.19Å; T774-Y776 HydrophobicContact CG2-CE2 3.51Å; T774-Y776 WeakPolarHBondContact O-CD2 3.22Å; T774-Y776 WeakPolarHBondContact O-CE2 3.28Å; Y776-T794 HydrophobicContact CD1-CG2 3.64Å; Y776-T794 HydrophobicContact CD2-CG2 4.32Å; Y776-T794 HydrophobicContact CE1-CG2 3.31Å; Y776-T794 HydrophobicContact CE2-CG2 4.07Å; Y776-T794 HydrophobicContact CG-CG2 4.13Å; Y776-P811 HydrophobicContact CE1-CG 3.9Å
777	N	94.4	Very high	91.9	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	111.6	177.6	-178.5	19.5	0	0	0	108.9	T81 I724 V725 D758 L779	T81-N777 PolarHBondContact OG1-OD1 3.01Å; T81-N777 VanDerWaalsContact OG1-OD1 3.12Å; I724-N777 WeakPolarHBondContact CA-O 3.17Å; V725-N777 PolarHBondContact N-O 3.01Å; V725-N777 PolarHBondContact O-N 3.49Å; D758-N777 HydrophobicContact CB-CB 4.18Å; N777-L779 HydrophobicContact CB-CD2 4.5Å; N777-L779 VanDerWaalsContact ND2-CD2 3.33Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.43Å; N777-L779 PolarHBondContact O-N 3.45Å
778	V	95.1	Very high	92.4	Very high	2 Å²	2	28 Å²	28	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	110.9	177	-173.2	0	0	0	0	107.3	T81 I724 Y757 Y780	T81-V778 WeakPolarHBondContact CB-O 3.48Å; T81-V778 PolarHBondContact OG1-O 3.47Å; I724-V778 HydrophobicContact CD1-CG2 4.49Å; I724-V778 HydrophobicContact CG1-CG2 4.23Å; I724-V778 HydrophobicContact CG2-CG2 4.45Å; Y757-V778 HydrophobicContact CD1-CB 3.58Å; Y757-V778 HydrophobicContact CD1-CG1 3.74Å; Y757-V778 HydrophobicContact CD1-CG2 3.95Å; Y757-V778 HydrophobicContact CD2-CG2 4.33Å; Y757-V778 HydrophobicContact CE1-CB 4.04Å; Y757-V778 HydrophobicContact CE1-CG1 3.96Å; Y757-V778 HydrophobicContact CE1-CG2 3.99Å; Y757-V778 HydrophobicContact CE2-CG2 4.35Å; Y757-V778 HydrophobicContact CG-CB 3.87Å; Y757-V778 HydrophobicContact CG-CG2 4.12Å; Y757-V778 WeakPolarHBondContact O-CB 3.49Å; Y757-V778 PolarHBondContact O-N 3.38Å; V778-Y780 WeakPolarHBondContact CG1-O 3.35Å
779	L	93.1	Very high	93.1	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.037	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-29	179.1	-52.6	-169.1	0	0	0	112.1	T81 L692 L695 F696 V700 Y723 V725 N777	T81-L779 HydrophobicContact CG2-CB 4.44Å; T81-L779 HydrophobicContact CG2-CD2 3.79Å; L692-L779 HydrophobicContact CD2-CD2 4.38Å; L695-L779 HydrophobicContact CD2-CD1 3.74Å; F696-L779 HydrophobicContact CD2-CB 4.16Å; F696-L779 WeakPolarHBondContact CE2-O 3.24Å; V700-L779 HydrophobicContact CG2-CD1 4.22Å; Y723-L779 HydrophobicContact CD1-CB 4.22Å; Y723-L779 HydrophobicContact CD1-CD1 3.94Å; Y723-L779 HydrophobicContact CD1-CG 4.12Å; Y723-L779 HydrophobicContact CE1-CD1 3.89Å; Y723-L779 HydrophobicContact CE1-CG 4.49Å; Y723-L779 PolarHBondContact O-N 3.02Å; V725-L779 HydrophobicContact CG2-CD1 3.62Å; V725-L779 HydrophobicContact CG2-CD2 4.22Å; V725-L779 HydrophobicContact CG2-CG 3.91Å; N777-L779 HydrophobicContact CB-CD2 4.5Å; N777-L779 VanDerWaalsContact ND2-CD2 3.33Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.43Å; N777-L779 PolarHBondContact O-N 3.45Å
780	Y	94.1	Very high	93.5	Very high	79 Å²	79	26.2 Å²	26.2	31%	0.31	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	143.3	-179.9	178.8	-91.2	0	0	0	109.4	V700 I704 L721 A722 Y723 V778	V700-Y780 HydrophobicContact CG1-CG 4.35Å; I704-Y780 HydrophobicContact CD1-CD1 4.13Å; I704-Y780 HydrophobicContact CD1-CD2 3.81Å; I704-Y780 HydrophobicContact CD1-CE1 4.05Å; I704-Y780 HydrophobicContact CD1-CE2 3.71Å; I704-Y780 HydrophobicContact CD1-CG 4.01Å; I704-Y780 HydrophobicContact CG1-CE1 4.44Å; L721-Y780 HydrophobicContact CB-CD1 4.38Å; L721-Y780 HydrophobicContact CB-CE1 4.12Å; L721-Y780 HydrophobicContact CD2-CD1 4.06Å; L721-Y780 HydrophobicContact CD2-CE1 4.21Å; L721-Y780 HydrophobicContact CG-CD1 4.14Å; L721-Y780 HydrophobicContact CG-CE1 4.34Å; A722-Y780 WeakPolarHBondContact CA-O 3.44Å; Y723-Y780 PolarHBondContact N-O 2.9Å; V778-Y780 WeakPolarHBondContact CG1-O 3.35Å
781	S	93.8	Very high	93.9	Very high	38 Å²	38	25.6 Å²	25.6	27%	0.266	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	115.8	175.4	171.5	0	0	0	0	112.5	L721	L721-S781 CarbonylContact O-C 3.48Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.19Å
782	S	94.6	Very high	94.3	Very high	47 Å²	47	28.5 Å²	28.5	33%	0.329	17%	0.17	S	C	.	.			trans	-107.6	19.4	164.5	58.9	0	0	0	0	112.8	Q720 L721 G784	Q720-S782 PolarHBondContact NE2-O 3.32Å; L721-S782 PolarHBondContact N-OG 3.42Å; L721-S782 PolarHBondContact O-N 2.63Å; L721-S782 PolarHBondContact O-OG 3.2Å; S782-G784 PolarHBondContact O-N 3.18Å
783	M	91.1	Very high	94.6	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.015	16%	0.161	C	C	.	.	S	Bend	trans	-71.8	-19.4	-173.8	-72.8	-68.6	-68.1	0	0	115.8	R679 V681 Q720 A722 L785 M790	R679-M783 HydrophobicContact CB-CE 4.14Å; R679-M783 HydrophobicContact CB-SD 4.24Å; R679-M783 HydrophobicContact CG-CE 4.46Å; V681-M783 HydrophobicContact CG2-CE 3.77Å; V681-M783 HydrophobicContact CG2-SD 4.2Å; Q720-M783 HydrophobicContact CB-SD 3.84Å; Q720-M783 VanDerWaalsContact NE2-C 3.3Å; Q720-M783 PolarHBondContact NE2-O 3.09Å; A722-M783 HydrophobicContact CB-CG 3.56Å; M783-L785 HydrophobicContact CB-CB 4.3Å; M783-L785 HydrophobicContact CB-CD1 4.4Å; M783-L785 HydrophobicContact CB-CG 4.19Å; M783-L785 HydrophobicContact CE-CD1 3.68Å; M783-L785 HydrophobicContact CE-CG 4.45Å; M783-L785 PolarHBondContact O-N 2.97Å; M783-L785 VanDerWaalsContact O-N 3.13Å; M783-M790 HydrophobicContact CB-SD 4.32Å; M783-M790 HydrophobicContact CG-SD 4.42Å
784	G	88.4	Confident	94.8	Very high	79 Å²	79	27.3 Å²	27.3	81%	0.814	16%	0.161	S	C	*	.			trans	61.3	15.8	-172.6	0	0	0	0	0	114.5	S782	S782-G784 PolarHBondContact O-N 3.18Å
785	L	91.3	Very high	94.8	Very high	35 Å²	35	27.6 Å²	27.6	18%	0.183	16%	0.162	C	C	.	.			trans	-97.4	131.7	179.9	-68.1	-179.2	0	0	0	110.6	L605 M783 K789 M790	L605-L785 HydrophobicContact CD1-CD1 4.07Å; L605-L785 HydrophobicContact CD2-CD2 4.47Å; M783-L785 HydrophobicContact CB-CB 4.3Å; M783-L785 HydrophobicContact CB-CD1 4.4Å; M783-L785 HydrophobicContact CB-CG 4.19Å; M783-L785 HydrophobicContact CE-CD1 3.68Å; M783-L785 HydrophobicContact CE-CG 4.45Å; M783-L785 PolarHBondContact O-N 2.97Å; M783-L785 VanDerWaalsContact O-N 3.13Å; L785-K789 HydrophobicContact CB-CB 4.14Å; L785-K789 HydrophobicContact CD2-CB 4.25Å; L785-K789 HydrophobicContact CD2-CD 4.09Å; L785-M790 HydrophobicContact CB-CG 3.94Å; L785-M790 HydrophobicContact CB-SD 3.81Å; L785-M790 HydrophobicContact CD1-SD 3.75Å; L785-M790 HydrophobicContact CG-SD 4.38Å
786	S	93.8	Very high	95	Very high	34 Å²	34	27.9 Å²	27.9	24%	0.238	16%	0.161	C	C	.	.			trans	-62.2	157.4	173.1	54	0	0	0	0	111.9	E788 K789 M790	S786-E788 VanDerWaalsContact C-N 3.3Å; S786-E788 WeakPolarHBondContact CB-OE1 3.1Å; S786-E788 PolarHBondContact O-N 2.99Å; S786-E788 PolarHBondContact OG-OE1 2.99Å; S786-K789 WeakPolarHBondContact O-CB 3.16Å; S786-K789 PolarHBondContact O-N 2.94Å; S786-K789 VanDerWaalsContact OG-CD 3.28Å; S786-K789 WeakPolarHBondContact OG-CD 3.48Å; S786-K789 WeakPolarHBondContact OG-CE 3.32Å; S786-K789 WeakPolarHBondContact OG-CG 3.35Å; S786-M790 PolarHBondContact O-N 3.07Å; S786-M790 VanDerWaalsContact O-N 3.13Å
787	P	94.6	Very high	95.1	Very high	13 Å²	13	27.9 Å²	27.9	8%	0.084	16%	0.161	C	C	.	.	H	α-helix	trans	-53.4	-41.4	-177.9	-28.8	35.9	0	0	0	114.1	L86 K89 Y757 K789 M790 Q791	L86-P787 HydrophobicContact CD1-CG 4.2Å; K89-P787 VanDerWaalsContact O-CB 3.23Å; K89-P787 WeakPolarHBondContact O-CB 3.46Å; Y757-P787 HydrophobicContact CE2-CB 4.2Å; Y757-P787 HydrophobicContact CE2-CG 4.25Å; Y757-P787 WeakPolarHBondContact OH-CA 3.4Å; P787-K789 VanDerWaalsContact C-N 3.29Å; P787-K789 PolarHBondContact O-N 2.81Å; P787-M790 PolarHBondContact O-N 3.04Å; P787-Q791 VanDerWaalsContact O-CB 3.31Å; P787-Q791 WeakPolarHBondContact O-CB 3.42Å; P787-Q791 WeakPolarHBondContact O-CG 3.43Å; P787-Q791 PolarHBondContact O-N 3.3Å
788	E	94.4	Very high	95.3	Very high	28 Å²	28	27.6 Å²	27.6	13%	0.131	16%	0.16	C	C	.	.	H	α-helix	trans	-63.5	-33.1	177	73.3	-99.8	131.7	0	0	113.3	T92 D93 S786 K792	T92-E788 PolarHBondContact N-OE2 2.85Å; T92-E788 PolarHBondContact OG1-OE2 2.87Å; D93-E788 HydrophobicContact CB-CB 4.04Å; D93-E788 HydrophobicContact CB-CG 4.25Å; D93-E788 WeakPolarHBondContact OD2-CG 3.32Å; S786-E788 VanDerWaalsContact C-N 3.3Å; S786-E788 WeakPolarHBondContact CB-OE1 3.1Å; S786-E788 PolarHBondContact O-N 2.99Å; S786-E788 PolarHBondContact OG-OE1 2.99Å; E788-K792 WeakPolarHBondContact O-CB 3.29Å; E788-K792 PolarHBondContact O-N 3.41Å
789	K	95.6	Very high	95.4	Very high	110 Å²	110	27.5 Å²	27.5	48%	0.478	16%	0.159	S	C	.	.	H	α-helix	trans	-71.6	-40.8	178.7	-66.7	172.8	-169.3	168.9	0	110.6	L785 S786 P787 L793	L785-K789 HydrophobicContact CB-CB 4.14Å; L785-K789 HydrophobicContact CD2-CB 4.25Å; L785-K789 HydrophobicContact CD2-CD 4.09Å; S786-K789 WeakPolarHBondContact O-CB 3.16Å; S786-K789 PolarHBondContact O-N 2.94Å; S786-K789 VanDerWaalsContact OG-CD 3.28Å; S786-K789 WeakPolarHBondContact OG-CD 3.48Å; S786-K789 WeakPolarHBondContact OG-CE 3.32Å; S786-K789 WeakPolarHBondContact OG-CG 3.35Å; P787-K789 VanDerWaalsContact C-N 3.29Å; P787-K789 PolarHBondContact O-N 2.81Å; K789-L793 WeakPolarHBondContact O-CB 3.44Å; K789-L793 PolarHBondContact O-N 3.24Å
790	M	96.1	Very high	95.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-42.9	173.3	-69	-59	-66.6	0	0	112.2	A722 I724 M783 L785 S786 P787 T794	A722-M790 HydrophobicContact CB-CE 3.54Å; I724-M790 HydrophobicContact CD1-CE 3.71Å; M783-M790 HydrophobicContact CB-SD 4.32Å; M783-M790 HydrophobicContact CG-SD 4.42Å; L785-M790 HydrophobicContact CB-CG 3.94Å; L785-M790 HydrophobicContact CB-SD 3.81Å; L785-M790 HydrophobicContact CD1-SD 3.75Å; L785-M790 HydrophobicContact CG-SD 4.38Å; S786-M790 PolarHBondContact O-N 3.07Å; S786-M790 VanDerWaalsContact O-N 3.13Å; P787-M790 PolarHBondContact O-N 3.04Å; M790-T794 WeakPolarHBondContact O-CB 3.41Å; M790-T794 PolarHBondContact O-N 3.41Å; M790-T794 PolarHBondContact O-OG1 3.1Å
791	Q	97.8	Very high	95.9	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-49	174.8	-73.7	167.6	8	0	0	112.2	I746 D748 F759 P787 T794 Y795	I746-Q791 HydrophobicContact CD1-CB 3.63Å; I746-Q791 HydrophobicContact CD1-CG 3.98Å; D748-Q791 PolarHBondContact OD2-NE2 3.19Å; F759-Q791 HydrophobicContact CD1-CG 4.03Å; F759-Q791 HydrophobicContact CD2-CG 3.9Å; F759-Q791 HydrophobicContact CE1-CG 4.02Å; F759-Q791 HydrophobicContact CE2-CB 4.44Å; F759-Q791 HydrophobicContact CE2-CG 3.89Å; F759-Q791 HydrophobicContact CG-CG 3.97Å; F759-Q791 HydrophobicContact CZ-CG 3.96Å; P787-Q791 VanDerWaalsContact O-CB 3.31Å; P787-Q791 WeakPolarHBondContact O-CB 3.42Å; P787-Q791 WeakPolarHBondContact O-CG 3.43Å; P787-Q791 PolarHBondContact O-N 3.3Å; Q791-T794 WeakPolarHBondContact O-CB 3.22Å; Q791-T794 PolarHBondContact O-N 3.08Å; Q791-Y795 PolarHBondContact O-N 3.48Å
792	K	97.3	Very high	96.1	Very high	67 Å²	67	22.7 Å²	22.7	29%	0.291	13%	0.134	S	C	.	.	H	α-helix	trans	-65.3	-38.2	179.4	-173.2	160.8	63.2	-173.7	0	111.9	D93 I438 E788 Y795 K796	D93-K792 IonicContact OD1-NZ 2.81Å; D93-K792 PolarHBondContact OD1-NZ 2.77Å; D93-K792 WeakPolarHBondContact OD2-CE 3.34Å; D93-K792 IonicContact OD2-NZ 3.8Å; D93-K792 PolarHBondContact OD2-NZ 3.21Å; I438-K792 HydrophobicContact CD1-CB 4.2Å; I438-K792 HydrophobicContact CG2-CG 4.44Å; E788-K792 WeakPolarHBondContact O-CB 3.29Å; E788-K792 PolarHBondContact O-N 3.41Å; K792-Y795 PolarHBondContact O-N 3.48Å; K792-K796 WeakPolarHBondContact O-CG 3.41Å; K792-K796 PolarHBondContact O-N 3.28Å
793	L	97.8	Very high	96.1	Very high	7 Å²	7	23.1 Å²	23.1	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-61.5	-47.8	169.3	177.1	59.6	0	0	0	111.4	L603 L605 L608 V681 K789 Y795 K796 M797	L603-L793 HydrophobicContact CD1-CD1 3.59Å; L605-L793 HydrophobicContact CD1-CD1 4.26Å; L605-L793 HydrophobicContact CD1-CD2 3.87Å; L608-L793 HydrophobicContact CD2-CD1 4.09Å; L608-L793 HydrophobicContact CD2-CD2 4.27Å; V681-L793 HydrophobicContact CG2-CD2 4.08Å; K789-L793 WeakPolarHBondContact O-CB 3.44Å; K789-L793 PolarHBondContact O-N 3.24Å; L793-Y795 VanDerWaalsContact C-N 3.29Å; L793-Y795 PolarHBondContact O-N 2.68Å; L793-K796 WeakPolarHBondContact O-CB 3.48Å; L793-K796 PolarHBondContact O-N 3.48Å; L793-M797 HydrophobicContact CD1-CG 4.21Å; L793-M797 HydrophobicContact CD1-SD 4.42Å; L793-M797 WeakPolarHBondContact O-CG 3.24Å; L793-M797 PolarHBondContact O-N 2.83Å
794	T	98.3	Very high	96.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.6	-42.5	177.7	-57.2	0	0	0	0	111.6	Y683 F759 L761 Y776 M790 Q791 M797 C798 P811	Y683-T794 HydrophobicContact CE1-CG2 4.03Å; Y683-T794 WeakPolarHBondContact OH-CA 3.42Å; Y683-T794 PolarHBondContact OH-OG1 2.94Å; Y683-T794 VanDerWaalsContact OH-OG1 3.07Å; F759-T794 HydrophobicContact CE2-CG2 4.45Å; F759-T794 HydrophobicContact CZ-CG2 4.26Å; L761-T794 HydrophobicContact CD2-CG2 4.16Å; Y776-T794 HydrophobicContact CD1-CG2 3.64Å; Y776-T794 HydrophobicContact CD2-CG2 4.32Å; Y776-T794 HydrophobicContact CE1-CG2 3.31Å; Y776-T794 HydrophobicContact CE2-CG2 4.07Å; Y776-T794 HydrophobicContact CG-CG2 4.13Å; M790-T794 WeakPolarHBondContact O-CB 3.41Å; M790-T794 PolarHBondContact O-N 3.41Å; M790-T794 PolarHBondContact O-OG1 3.1Å; Q791-T794 WeakPolarHBondContact O-CB 3.22Å; Q791-T794 PolarHBondContact O-N 3.08Å; T794-M797 PolarHBondContact O-N 3.39Å; T794-C798 PolarHBondContact O-N 3.26Å; T794-C798 PolarHBondContact O-SG 3.03Å; T794-P811 HydrophobicContact CG2-CG 4.33Å
795	Y	98.3	Very high	96.6	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.027	12%	0.116	C	C	.	.	H	α-helix	trans	-67.4	-44.1	175.8	-173.4	-135.7	0	0	0	112.2	I438 Q441 P743 G744 L761 Q791 K792 L793 M797 C798 H799 T807	I438-Y795 HydrophobicContact CB-CD1 4.07Å; I438-Y795 HydrophobicContact CB-CE1 4.37Å; I438-Y795 HydrophobicContact CG2-CD1 3.88Å; I438-Y795 HydrophobicContact CG2-CE1 4.32Å; Q441-Y795 HydrophobicContact CG-CD1 4.12Å; Q441-Y795 HydrophobicContact CG-CE1 4.06Å; P743-Y795 VanDerWaalsContact C-OH 3.29Å; P743-Y795 WeakPolarHBondContact CB-OH 3.42Å; G744-Y795 VanDerWaalsContact CA-CZ 3.47Å; G744-Y795 PolarHBondContact N-OH 2.69Å; L761-Y795 HydrophobicContact CD1-CD2 4.06Å; L761-Y795 HydrophobicContact CD1-CG 4.39Å; L761-Y795 HydrophobicContact CD2-CD2 4.26Å; Q791-Y795 PolarHBondContact O-N 3.48Å; K792-Y795 PolarHBondContact O-N 3.48Å; L793-Y795 VanDerWaalsContact C-N 3.29Å; L793-Y795 PolarHBondContact O-N 2.68Å; Y795-M797 VanDerWaalsContact C-N 3.31Å; Y795-M797 PolarHBondContact O-N 2.71Å; Y795-C798 VanDerWaalsContact O-CB 3.32Å; Y795-C798 WeakPolarHBondContact O-CB 3.18Å; Y795-C798 PolarHBondContact O-N 2.88Å; Y795-H799 AromaticContact CD2-CE1 3.88Å; Y795-H799 AromaticContact CE1-CE1 3.82Å; Y795-H799 AromaticContact CE2-CE1 3.65Å; Y795-H799 AromaticContact CZ-CE1 3.63Å; Y795-H799 PolarHBondContact O-CE1 3.02Å; Y795-H799 PolarHBondContact O-ND1 3.39Å; Y795-T807 HydrophobicContact CE2-CG2 3.96Å
796	K	98.2	Very high	96.9	Very high	22 Å²	22	23.1 Å²	23.1	10%	0.096	11%	0.107	C	C	.	.	H	α-helix	trans	-54.1	-45.7	172	-77.1	176.5	179.2	-66.6	0	111.9	Q441 I601 E602 K792 L793 C798 H799	Q441-K796 VanDerWaalsContact OE1-CE 3.22Å; Q441-K796 VanDerWaalsContact OE1-CG 3.28Å; I601-K796 HydrophobicContact CG1-CB 4.01Å; I601-K796 HydrophobicContact CG1-CG 3.92Å; I601-K796 HydrophobicContact CG2-CB 4.31Å; E602-K796 WeakPolarHBondContact O-CD 3.43Å; E602-K796 VanDerWaalsContact O-CE 3.24Å; E602-K796 WeakPolarHBondContact O-CE 3.48Å; E602-K796 PolarHBondContact O-NZ 3.42Å; K792-K796 WeakPolarHBondContact O-CG 3.41Å; K792-K796 PolarHBondContact O-N 3.28Å; L793-K796 WeakPolarHBondContact O-CB 3.48Å; L793-K796 PolarHBondContact O-N 3.48Å; K796-C798 PolarHBondContact O-N 2.91Å; K796-C798 VanDerWaalsContact O-N 3.16Å; K796-H799 WeakPolarHBondContact O-CB 3.35Å; K796-H799 PolarHBondContact O-N 2.95Å; K796-H799 PolarHBondContact O-ND1 3.18Å
797	M	98.4	Very high	97	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.2	-17.8	177.7	-63.1	-48.6	-61.2	0	0	113.9	T610 L635 Y683 L793 T794 Y795 H799 L800 P811 A812	T610-M797 HydrophobicContact CG2-CE 3.94Å; T610-M797 HydrophobicContact CG2-CG 4.35Å; L635-M797 HydrophobicContact CD1-CE 3.97Å; Y683-M797 HydrophobicContact CE2-CG 4.44Å; L793-M797 HydrophobicContact CD1-CG 4.21Å; L793-M797 HydrophobicContact CD1-SD 4.42Å; L793-M797 WeakPolarHBondContact O-CG 3.24Å; L793-M797 PolarHBondContact O-N 2.83Å; T794-M797 PolarHBondContact O-N 3.39Å; Y795-M797 VanDerWaalsContact C-N 3.31Å; Y795-M797 PolarHBondContact O-N 2.71Å; M797-H799 VanDerWaalsContact C-N 3.26Å; M797-H799 PolarHBondContact O-N 3.24Å; M797-L800 HydrophobicContact CE-CD1 3.82Å; M797-L800 HydrophobicContact SD-CD1 4.05Å; M797-P811 HydrophobicContact CB-CB 3.99Å; M797-A812 WeakPolarHBondContact O-CB 3.12Å; M797-A812 PolarHBondContact O-N 2.98Å
798	C	98.3	Very high	97.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.5	171.5	-64.8	0	0	0	0	114.1	T794 Y795 K796 T807 T808	T794-C798 PolarHBondContact O-N 3.26Å; T794-C798 PolarHBondContact O-SG 3.03Å; Y795-C798 VanDerWaalsContact O-CB 3.32Å; Y795-C798 WeakPolarHBondContact O-CB 3.18Å; Y795-C798 PolarHBondContact O-N 2.88Å; K796-C798 PolarHBondContact O-N 2.91Å; K796-C798 VanDerWaalsContact O-N 3.16Å; C798-T807 WeakPolarHBondContact O-CA 3.28Å; C798-T808 WeakPolarHBondContact CB-O 3.45Å; C798-T808 PolarHBondContact O-N 2.94Å; C798-T808 PolarHBondContact O-OG1 2.79Å
799	H	98.4	Very high	97.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-5.9	179.4	-64.3	70.9	0	0	0	113.8	I443 W458 W599 I601 Y795 K796 M797 T807	I443-H799 HydrophobicContact CD1-CB 4.32Å; W458-H799 HydrophobicContact CH2-CB 3.86Å; W458-H799 AromaticContact CH2-CD2 3.73Å; W458-H799 WeakPolarHBondContact CZ2-O 3.43Å; W458-H799 AromaticContact CZ3-CD2 3.66Å; W599-H799 PolarHBondContact NE1-O 2.87Å; I601-H799 HydrophobicContact CD1-CB 4.2Å; Y795-H799 AromaticContact CD2-CE1 3.88Å; Y795-H799 AromaticContact CE1-CE1 3.82Å; Y795-H799 AromaticContact CE2-CE1 3.65Å; Y795-H799 AromaticContact CZ-CE1 3.63Å; Y795-H799 PolarHBondContact O-CE1 3.02Å; Y795-H799 PolarHBondContact O-ND1 3.39Å; K796-H799 WeakPolarHBondContact O-CB 3.35Å; K796-H799 PolarHBondContact O-N 2.95Å; K796-H799 PolarHBondContact O-ND1 3.18Å; M797-H799 VanDerWaalsContact C-N 3.26Å; M797-H799 PolarHBondContact O-N 3.24Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.23Å
800	L	98.4	Very high	97.2	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.074	C	C	.	.			trans	-105.7	21.4	-164.6	-62.2	178.3	0	0	0	115.4	M600 I601 L635 M797 Y802 A812 Y816	M600-L800 HydrophobicContact CE-CD1 4.4Å; M600-L800 HydrophobicContact CE-CD2 4.1Å; M600-L800 HydrophobicContact SD-CD1 3.85Å; M600-L800 HydrophobicContact SD-CD2 3.58Å; M600-L800 VanDerWaalsContact SD-CD2 3.58Å; M600-L800 HydrophobicContact SD-CG 4.39Å; I601-L800 HydrophobicContact CB-CD2 3.96Å; I601-L800 HydrophobicContact CB-CG 4.46Å; I601-L800 HydrophobicContact CG2-CD1 3.85Å; I601-L800 HydrophobicContact CG2-CD2 3.97Å; I601-L800 HydrophobicContact CG2-CG 4.11Å; L635-L800 HydrophobicContact CD1-CD1 3.73Å; M797-L800 HydrophobicContact CE-CD1 3.82Å; M797-L800 HydrophobicContact SD-CD1 4.05Å; L800-Y802 HydrophobicContact CB-CE1 4.43Å; L800-Y802 HydrophobicContact CD2-CE1 4.45Å; L800-Y802 WeakPolarHBondContact O-CE1 3.31Å; L800-A812 HydrophobicContact CB-CB 3.75Å; L800-A812 WeakPolarHBondContact O-CB 3.45Å; L800-Y816 WeakPolarHBondContact O-CE2 3.18Å; L800-Y816 PolarHBondContact O-OH 3.45Å
801	Y	98.3	Very high	97.3	Very high	20 Å²	20	17 Å²	17	8%	0.078	7%	0.074	C	C	.	.			trans	-96.9	97.6	179.1	179.6	-104.9	0	0	0	111.6	N803 W804 T808 Q815 Y816 L843	Y801-N803 HydrophobicContact CD1-CB 4.27Å; Y801-N803 HydrophobicContact CE1-CB 3.52Å; Y801-N803 PolarHBondContact O-N 2.89Å; Y801-W804 HydrophobicContact CD1-CB 3.89Å; Y801-W804 HydrophobicContact CE1-CB 4.37Å; Y801-W804 PolarHBondContact O-N 3.07Å; Y801-T808 HydrophobicContact CD1-CG2 3.64Å; Y801-T808 HydrophobicContact CG-CG2 3.96Å; Y801-Q815 HydrophobicContact CD1-CG 3.98Å; Y801-Q815 HydrophobicContact CD2-CB 3.79Å; Y801-Q815 HydrophobicContact CD2-CG 3.6Å; Y801-Q815 HydrophobicContact CE1-CG 3.92Å; Y801-Q815 HydrophobicContact CE2-CB 4.09Å; Y801-Q815 HydrophobicContact CE2-CG 3.55Å; Y801-Q815 HydrophobicContact CG-CB 4.18Å; Y801-Q815 HydrophobicContact CG-CG 3.81Å; Y801-Y816 WeakPolarHBondContact CA-OH 3.45Å; Y801-Y816 AromaticContact CD2-CD1 3.59Å; Y801-Y816 HydrophobicContact CD2-CD1 3.59Å; Y801-Y816 AromaticContact CD2-CE1 3.46Å; Y801-Y816 HydrophobicContact CD2-CE1 3.46Å; Y801-Y816 VanDerWaalsContact CD2-CE1 3.46Å; Y801-Y816 HydrophobicContact CD2-CE2 4.42Å; Y801-Y816 HydrophobicContact CD2-CG 4.12Å; Y801-Y816 AromaticContact CD2-CZ 3.9Å; Y801-Y816 AromaticContact CE2-CD1 3.6Å; Y801-Y816 HydrophobicContact CE2-CD1 3.6Å; Y801-Y816 AromaticContact CE2-CE1 3.74Å; Y801-Y816 HydrophobicContact CE2-CE1 3.74Å; Y801-Y816 HydrophobicContact CE2-CG 4.37Å; Y801-Y816 HydrophobicContact CG-CE1 4.47Å; Y801-L843 HydrophobicContact CE2-CD2 3.97Å
802	Y	98.1	Very high	97.4	Very high	3 Å²	3	17 Å²	17	1%	0.012	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.7	-162.2	-56.2	-34.8	0	0	0	116.3	I588 C592 T597 P598 W599 M600 Y641 L800 W804 Y816 F840	I588-Y802 WeakPolarHBondContact CG2-O 3.41Å; C592-Y802 WeakPolarHBondContact SG-CB 3.49Å; T597-Y802 HydrophobicContact CG2-CE1 4.21Å; T597-Y802 HydrophobicContact CG2-CE2 3.78Å; T597-Y802 VanDerWaalsContact CG2-CZ 3.49Å; T597-Y802 VanDerWaalsContact CG2-OH 3.25Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.37Å; P598-Y802 HydrophobicContact CG-CD1 3.65Å; P598-Y802 HydrophobicContact CG-CD2 4.03Å; P598-Y802 HydrophobicContact CG-CE1 4.37Å; P598-Y802 HydrophobicContact CG-CG 3.49Å; P598-Y802 VanDerWaalsContact CG-CG 3.49Å; W599-Y802 AromaticContact CD2-CD1 3.9Å; W599-Y802 HydrophobicContact CD2-CD1 3.9Å; W599-Y802 HydrophobicContact CD2-CE1 4.25Å; W599-Y802 AromaticContact CE2-CD1 3.69Å; W599-Y802 HydrophobicContact CE3-CD1 4.14Å; W599-Y802 HydrophobicContact CG-CE1 4.43Å; W599-Y802 HydrophobicContact CH2-CD1 4.15Å; W599-Y802 AromaticContact CZ2-CD1 3.85Å; W599-Y802 HydrophobicContact CZ2-CD1 3.85Å; W599-Y802 HydrophobicContact CZ3-CD1 4.26Å; W599-Y802 VanDerWaalsContact O-CE1 3.27Å; W599-Y802 WeakPolarHBondContact O-CE1 3.42Å; W599-Y802 PolarHBondContact O-OH 3.31Å; M600-Y802 WeakPolarHBondContact CE-OH 3.46Å; Y641-Y802 HydrophobicContact CE2-CE2 4.26Å; L800-Y802 HydrophobicContact CB-CE1 4.43Å; L800-Y802 HydrophobicContact CD2-CE1 4.45Å; L800-Y802 WeakPolarHBondContact O-CE1 3.31Å; Y802-W804 PolarHBondContact O-N 3.15Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.31Å; Y802-Y816 WeakPolarHBondContact CE2-OH 3.41Å; Y802-Y816 PolarHBondContact N-OH 2.87Å; Y802-F840 HydrophobicContact CD2-CD2 4.43Å; Y802-F840 AromaticContact CD2-CE2 3.77Å; Y802-F840 HydrophobicContact CD2-CE2 3.77Å; Y802-F840 AromaticContact CD2-CZ 3.8Å; Y802-F840 HydrophobicContact CD2-CZ 3.8Å; Y802-F840 AromaticContact CE2-CE2 3.73Å; Y802-F840 HydrophobicContact CE2-CE2 3.73Å; Y802-F840 AromaticContact CE2-CZ 3.63Å; Y802-F840 HydrophobicContact CE2-CZ 3.63Å
803	N	96	Very high	97.4	Very high	57 Å²	57	13.8 Å²	13.8	31%	0.305	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.1	169.8	-101.9	20.4	0	0	0	113.5	Y801 L843	Y801-N803 HydrophobicContact CD1-CB 4.27Å; Y801-N803 HydrophobicContact CE1-CB 3.52Å; Y801-N803 PolarHBondContact O-N 2.89Å; N803-L843 HydrophobicContact CB-CD2 4.22Å; N803-L843 PolarHBondContact ND2-O 3.23Å
804	W	95.8	Very high	97.4	Very high	108 Å²	108	13.5 Å²	13.5	41%	0.409	6%	0.058	S	C	.	.	S	Bend	trans	-139.7	116.5	177.2	-173.7	-106.7	0	0	0	110.3	W599 Y801 Y802 G806 T807 T808	W599-W804 WeakPolarHBondContact CH2-O 3.44Å; W599-W804 WeakPolarHBondContact CZ2-O 3.16Å; Y801-W804 HydrophobicContact CD1-CB 3.89Å; Y801-W804 HydrophobicContact CE1-CB 4.37Å; Y801-W804 PolarHBondContact O-N 3.07Å; Y802-W804 PolarHBondContact O-N 3.15Å; W804-G806 VanDerWaalsContact CD1-C 3.46Å; W804-G806 VanDerWaalsContact CD1-O 3.31Å; W804-G806 PolarHBondContact O-N 3.46Å; W804-T807 PolarHBondContact NE1-O 3.46Å; W804-T808 HydrophobicContact CB-CG2 4.25Å; W804-T808 HydrophobicContact CG-CG2 4.44Å
805	S	93.9	Very high	97.4	Very high	9 Å²	9	15.7 Å²	15.7	6%	0.063	7%	0.069	C	C	.	.	S	Bend	trans	-77.7	50.8	-179.3	54.5	0	0	0	0	112.4	W458 Q459	W458-S805 PolarHBondContact N-O 2.94Å; Q459-S805 VanDerWaalsContact CB-OG 3.24Å; Q459-S805 WeakPolarHBondContact CB-OG 3.31Å; Q459-S805 WeakPolarHBondContact CG-OG 3.41Å
806	G	96.1	Very high	97.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-175	-178	-171.9	0	0	0	0	0	110.9	A456 W458 W804	A456-G806 CarbonylContact O-C 3.59Å; A456-G806 WeakPolarHBondContact O-CA 3.22Å; W458-G806 VanDerWaalsContact CH2-O 3.3Å; W458-G806 WeakPolarHBondContact CH2-O 3.47Å; W458-G806 VanDerWaalsContact CZ3-C 3.48Å; W804-G806 VanDerWaalsContact CD1-C 3.46Å; W804-G806 VanDerWaalsContact CD1-O 3.31Å; W804-G806 PolarHBondContact O-N 3.46Å
807	T	97.1	Very high	97.4	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.012	6%	0.063	C	C	.	.			trans	-71.1	141.8	175.5	40.5	0	0	0	0	112.9	A456 S763 Q764 Y795 C798 H799 W804	A456-T807 HydrophobicContact CB-CG2 3.72Å; A456-T807 WeakPolarHBondContact CB-OG1 3.43Å; A456-T807 PolarHBondContact O-N 2.85Å; S763-T807 WeakPolarHBondContact O-CB 3.39Å; S763-T807 PolarHBondContact O-OG1 2.93Å; Q764-T807 WeakPolarHBondContact CG-O 3.03Å; Q764-T807 PolarHBondContact NE2-O 2.83Å; Y795-T807 HydrophobicContact CE2-CG2 3.96Å; C798-T807 WeakPolarHBondContact O-CA 3.28Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.23Å; W804-T807 PolarHBondContact NE1-O 3.46Å
808	T	96.8	Very high	97.3	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.043	8%	0.077	C	C	.	.			trans	-103.3	149.2	171.7	51	0	0	0	0	113	S763 C798 Y801 W804 V810	S763-T808 WeakPolarHBondContact CB-O 3.4Å; S763-T808 PolarHBondContact OG-O 2.85Å; C798-T808 WeakPolarHBondContact CB-O 3.45Å; C798-T808 PolarHBondContact O-N 2.94Å; C798-T808 PolarHBondContact O-OG1 2.79Å; Y801-T808 HydrophobicContact CD1-CG2 3.64Å; Y801-T808 HydrophobicContact CG-CG2 3.96Å; W804-T808 HydrophobicContact CB-CG2 4.25Å; W804-T808 HydrophobicContact CG-CG2 4.44Å; T808-V810 PolarHBondContact O-N 2.81Å; T808-V810 VanDerWaalsContact O-N 3.08Å; T808-V810 PolarHBondContact OG1-O 3.05Å
809	R	94.9	Very high	97.3	Very high	48 Å²	48	20 Å²	20	18%	0.181	9%	0.088	C	C	.	.	S	Bend	trans	-57.7	-22.6	-179.1	179.7	170	-179.2	-163.8	2.9	114.9	R728 S729 S763 Q764 S772 P773 T774	R728-R809 VanDerWaalsContact C-NH2 3.26Å; S729-R809 PolarHBondContact O-NH2 3.3Å; S763-R809 VanDerWaalsContact OG-CA 3.29Å; S763-R809 WeakPolarHBondContact OG-CA 3.18Å; S763-R809 PolarHBondContact OG-O 2.86Å; Q764-R809 HydrophobicContact CB-CB 4.3Å; S772-R809 VanDerWaalsContact CB-NH2 3.32Å; S772-R809 PolarHBondContact O-NE 2.96Å; S772-R809 PolarHBondContact O-NH2 3.44Å; P773-R809 PolarHBondContact O-NH2 3.5Å; T774-R809 WeakPolarHBondContact CB-O 3.41Å; T774-R809 WeakPolarHBondContact OG1-CG 3.17Å; T774-R809 PolarHBondContact OG1-NE 2.91Å; T774-R809 PolarHBondContact OG1-O 3.3Å
810	V	97.1	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-130.6	164.6	176.7	-60	0	0	0	0	109.3	V726 R728 T774 T808 C814 Q815	V726-V810 HydrophobicContact CG1-CB 4.19Å; V726-V810 HydrophobicContact CG1-CG1 3.8Å; R728-V810 HydrophobicContact CG-CG1 4.21Å; T774-V810 HydrophobicContact CG2-CG1 4.25Å; T808-V810 PolarHBondContact O-N 2.81Å; T808-V810 VanDerWaalsContact O-N 3.08Å; T808-V810 PolarHBondContact OG1-O 3.05Å; V810-C814 HydrophobicContact CB-CB 4.23Å; V810-C814 HydrophobicContact CG2-CB 3.89Å; V810-Q815 HydrophobicContact CG2-CB 3.96Å
811	P	98.4	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.088	C	C	.	.			trans	-56.7	146.1	174.4	-25.5	37.3	0	0	0	111.3	Y683 Y776 T794 M797 V813 C814 Q815	Y683-P811 HydrophobicContact CD1-CG 3.85Å; Y683-P811 HydrophobicContact CD2-CB 4.08Å; Y683-P811 HydrophobicContact CD2-CG 4.16Å; Y683-P811 HydrophobicContact CE1-CG 3.88Å; Y683-P811 HydrophobicContact CE2-CB 4.18Å; Y683-P811 HydrophobicContact CE2-CG 4.2Å; Y683-P811 HydrophobicContact CG-CB 4.31Å; Y683-P811 HydrophobicContact CG-CG 3.99Å; Y776-P811 HydrophobicContact CE1-CG 3.9Å; T794-P811 HydrophobicContact CG2-CG 4.33Å; M797-P811 HydrophobicContact CB-CB 3.99Å; P811-V813 VanDerWaalsContact C-N 3.26Å; P811-V813 HydrophobicContact CB-CG2 4.33Å; P811-V813 PolarHBondContact O-N 2.78Å; P811-C814 WeakPolarHBondContact O-CB 3.36Å; P811-C814 PolarHBondContact O-N 2.84Å; P811-Q815 PolarHBondContact O-N 2.95Å
812	A	98.4	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-55	-41.1	-172.7	0	0	0	0	0	112.8	M797 L800 C814 Q815 Y816	M797-A812 WeakPolarHBondContact O-CB 3.12Å; M797-A812 PolarHBondContact O-N 2.98Å; L800-A812 HydrophobicContact CB-CB 3.75Å; L800-A812 WeakPolarHBondContact O-CB 3.45Å; A812-C814 VanDerWaalsContact C-N 3.32Å; A812-C814 PolarHBondContact O-N 3.07Å; A812-Q815 CarbonylContact O-C 3.57Å; A812-Q815 PolarHBondContact O-N 2.91Å; A812-Y816 VanDerWaalsContact C-CD2 3.5Å; A812-Y816 HydrophobicContact CB-CD2 4.21Å; A812-Y816 HydrophobicContact CB-CE2 3.83Å; A812-Y816 WeakPolarHBondContact O-CD2 3.36Å; A812-Y816 PolarHBondContact O-N 3.46Å
813	V	98.5	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.5	-38	176.9	-66.1	0	0	0	0	113.3	T610 I630 Y641 Y683 P811 A817	T610-V813 HydrophobicContact CG2-CG1 4.44Å; T610-V813 HydrophobicContact CG2-CG2 4.05Å; I630-V813 HydrophobicContact CG2-CG1 4.39Å; Y641-V813 HydrophobicContact CD1-CG1 4.21Å; Y641-V813 HydrophobicContact CE1-CG1 3.76Å; Y683-V813 HydrophobicContact CD2-CG2 4.01Å; P811-V813 VanDerWaalsContact C-N 3.26Å; P811-V813 HydrophobicContact CB-CG2 4.33Å; P811-V813 PolarHBondContact O-N 2.78Å; V813-A817 VanDerWaalsContact O-CB 3.26Å; V813-A817 WeakPolarHBondContact O-CB 3.5Å; V813-A817 PolarHBondContact O-N 2.76Å
814	C	97.9	Very high	97	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.4	-40.8	173.5	-58.1	0	0	0	0	111.2	Y683 D685 V810 P811 A812 A817 K818	Y683-C814 WeakPolarHBondContact CB-SG 3.07Å; D685-C814 HydrophobicContact CB-CB 4.31Å; V810-C814 HydrophobicContact CB-CB 4.23Å; V810-C814 HydrophobicContact CG2-CB 3.89Å; P811-C814 WeakPolarHBondContact O-CB 3.36Å; P811-C814 PolarHBondContact O-N 2.84Å; A812-C814 VanDerWaalsContact C-N 3.32Å; A812-C814 PolarHBondContact O-N 3.07Å; C814-A817 PolarHBondContact O-N 3.12Å; C814-K818 VanDerWaalsContact O-CB 3.24Å; C814-K818 WeakPolarHBondContact O-CB 3.43Å; C814-K818 PolarHBondContact O-N 3.15Å
815	Q	97.8	Very high	96.9	Very high	46 Å²	46	14.1 Å²	14.1	22%	0.215	7%	0.068	C	C	.	.	H	α-helix	trans	-70.2	-33.7	-179.3	-168.8	56.2	48.1	0	0	112.1	Y801 V810 P811 A812 K819	Y801-Q815 HydrophobicContact CD1-CG 3.98Å; Y801-Q815 HydrophobicContact CD2-CB 3.79Å; Y801-Q815 HydrophobicContact CD2-CG 3.6Å; Y801-Q815 HydrophobicContact CE1-CG 3.92Å; Y801-Q815 HydrophobicContact CE2-CB 4.09Å; Y801-Q815 HydrophobicContact CE2-CG 3.55Å; Y801-Q815 HydrophobicContact CG-CB 4.18Å; Y801-Q815 HydrophobicContact CG-CG 3.81Å; V810-Q815 HydrophobicContact CG2-CB 3.96Å; P811-Q815 PolarHBondContact O-N 2.95Å; A812-Q815 CarbonylContact O-C 3.57Å; A812-Q815 PolarHBondContact O-N 2.91Å; Q815-K819 WeakPolarHBondContact O-CB 3.49Å; Q815-K819 PolarHBondContact O-N 2.86Å; Q815-K819 VanDerWaalsContact O-N 3.11Å
816	Y	98.6	Very high	96.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.9	-49.1	168.8	-69.3	-51.8	0	0	0	111.7	I630 Y641 L800 Y801 Y802 A812 K818 K819 L820 F840 Y842 L843	I630-Y816 HydrophobicContact CG2-CD2 4.42Å; Y641-Y816 HydrophobicContact CE1-CE2 4.45Å; L800-Y816 WeakPolarHBondContact O-CE2 3.18Å; L800-Y816 PolarHBondContact O-OH 3.45Å; Y801-Y816 WeakPolarHBondContact CA-OH 3.45Å; Y801-Y816 AromaticContact CD2-CD1 3.59Å; Y801-Y816 HydrophobicContact CD2-CD1 3.59Å; Y801-Y816 AromaticContact CD2-CE1 3.46Å; Y801-Y816 HydrophobicContact CD2-CE1 3.46Å; Y801-Y816 VanDerWaalsContact CD2-CE1 3.46Å; Y801-Y816 HydrophobicContact CD2-CE2 4.42Å; Y801-Y816 HydrophobicContact CD2-CG 4.12Å; Y801-Y816 AromaticContact CD2-CZ 3.9Å; Y801-Y816 AromaticContact CE2-CD1 3.6Å; Y801-Y816 HydrophobicContact CE2-CD1 3.6Å; Y801-Y816 AromaticContact CE2-CE1 3.74Å; Y801-Y816 HydrophobicContact CE2-CE1 3.74Å; Y801-Y816 HydrophobicContact CE2-CG 4.37Å; Y801-Y816 HydrophobicContact CG-CE1 4.47Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.31Å; Y802-Y816 WeakPolarHBondContact CE2-OH 3.41Å; Y802-Y816 PolarHBondContact N-OH 2.87Å; A812-Y816 VanDerWaalsContact C-CD2 3.5Å; A812-Y816 HydrophobicContact CB-CD2 4.21Å; A812-Y816 HydrophobicContact CB-CE2 3.83Å; A812-Y816 WeakPolarHBondContact O-CD2 3.36Å; A812-Y816 PolarHBondContact O-N 3.46Å; Y816-K818 VanDerWaalsContact C-N 3.32Å; Y816-K818 PolarHBondContact O-N 2.99Å; Y816-K819 WeakPolarHBondContact O-CB 3.38Å; Y816-K819 PolarHBondContact O-N 3.46Å; Y816-K819 VanDerWaalsContact O-N 3.09Å; Y816-L820 PolarHBondContact O-N 3.3Å; Y816-F840 AromaticContact CD1-CD1 3.95Å; Y816-F840 HydrophobicContact CD1-CD1 3.95Å; Y816-F840 AromaticContact CD1-CE1 3.88Å; Y816-F840 HydrophobicContact CD1-CE1 3.88Å; Y816-F840 HydrophobicContact CD2-CE1 4.07Å; Y816-F840 AromaticContact CE1-CD1 3.66Å; Y816-F840 HydrophobicContact CE1-CD1 3.66Å; Y816-F840 AromaticContact CE1-CE1 3.47Å; Y816-F840 HydrophobicContact CE1-CE1 3.47Å; Y816-F840 VanDerWaalsContact CE1-CE1 3.47Å; Y816-F840 HydrophobicContact CE1-CZ 4.4Å; Y816-F840 AromaticContact CE2-CE1 3.69Å; Y816-F840 HydrophobicContact CE2-CE1 3.69Å; Y816-F840 HydrophobicContact CE2-CZ 4.25Å; Y816-F840 HydrophobicContact CG-CE1 4.18Å; Y816-F840 AromaticContact CZ-CE1 3.37Å; Y816-F840 AromaticContact CZ-CZ 3.95Å; Y816-Y842 AromaticContact CD1-CE2 3.98Å; Y816-Y842 HydrophobicContact CD1-CE2 3.98Å; Y816-Y842 HydrophobicContact CG-CE2 4.38Å; Y816-L843 HydrophobicContact CD1-CD2 3.97Å; Y816-L843 HydrophobicContact CE1-CD1 4.26Å; Y816-L843 HydrophobicContact CE1-CD2 3.98Å
817	A	97.5	Very high	96.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-55.8	-49.1	178	0	0	0	0	0	110.8	D614 A628 I630 V813 C814 K819 L820 A821	D614-A817 HydrophobicContact CB-CB 4.11Å; A628-A817 WeakPolarHBondContact CB-O 3.22Å; A628-A817 WeakPolarHBondContact O-CB 3.26Å; I630-A817 HydrophobicContact CG1-CB 3.88Å; I630-A817 VanDerWaalsContact CG1-N 3.35Å; V813-A817 VanDerWaalsContact O-CB 3.26Å; V813-A817 WeakPolarHBondContact O-CB 3.5Å; V813-A817 PolarHBondContact O-N 2.76Å; C814-A817 PolarHBondContact O-N 3.12Å; A817-K819 VanDerWaalsContact C-N 3.35Å; A817-K819 PolarHBondContact O-N 3.27Å; A817-L820 PolarHBondContact O-N 3.45Å; A817-A821 WeakPolarHBondContact O-CB 3.27Å; A817-A821 PolarHBondContact O-N 2.86Å
818	K	96.3	Very high	96.7	Very high	68 Å²	68	17.4 Å²	17.4	30%	0.296	9%	0.087	S	C	.	.	H	α-helix	trans	-55.9	-46	174.4	-175.4	161.1	-168.5	163.2	0	113.1	D614 C814 Y816 T822	D614-K818 HydrophobicContact CB-CB 4.25Å; D614-K818 WeakPolarHBondContact OD2-CA 3.42Å; D614-K818 WeakPolarHBondContact OD2-CB 3.47Å; D614-K818 WeakPolarHBondContact OD2-CD 3.29Å; D614-K818 WeakPolarHBondContact OD2-CG 3.49Å; C814-K818 VanDerWaalsContact O-CB 3.24Å; C814-K818 WeakPolarHBondContact O-CB 3.43Å; C814-K818 PolarHBondContact O-N 3.15Å; Y816-K818 VanDerWaalsContact C-N 3.32Å; Y816-K818 PolarHBondContact O-N 2.99Å; K818-T822 WeakPolarHBondContact O-CB 3.43Å; K818-T822 PolarHBondContact O-N 3.23Å; K818-T822 PolarHBondContact O-OG1 3.38Å
819	K	97.9	Very high	96.6	Very high	52 Å²	52	19.3 Å²	19.3	23%	0.226	10%	0.095	C	C	.	.	H	α-helix	trans	-64.4	-41.6	-179	-175.6	60.6	163.2	69.9	0	111.4	Q815 Y816 A817 L823 Y842 L843	Q815-K819 WeakPolarHBondContact O-CB 3.49Å; Q815-K819 PolarHBondContact O-N 2.86Å; Q815-K819 VanDerWaalsContact O-N 3.11Å; Y816-K819 WeakPolarHBondContact O-CB 3.38Å; Y816-K819 PolarHBondContact O-N 3.46Å; Y816-K819 VanDerWaalsContact O-N 3.09Å; A817-K819 VanDerWaalsContact C-N 3.35Å; A817-K819 PolarHBondContact O-N 3.27Å; K819-L823 WeakPolarHBondContact O-CB 2.93Å; K819-L823 PolarHBondContact O-N 2.65Å; K819-L823 VanDerWaalsContact O-N 3.07Å; K819-Y842 HydrophobicContact CB-CD2 4.31Å; K819-Y842 HydrophobicContact CG-CD2 4.2Å; K819-Y842 WeakPolarHBondContact CG-O 3.3Å; K819-Y842 PolarHBondContact NZ-O 2.88Å; K819-L843 VanDerWaalsContact CE-O 3.24Å; K819-L843 WeakPolarHBondContact CE-O 3.39Å; K819-L843 HydrophobicContact CG-CD2 4.29Å; K819-L843 PolarHBondContact NZ-O 2.85Å
820	L	98.3	Very high	96.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-68.8	-52	177.1	177.4	52.6	0	0	0	112.1	A628 I630 V645 Y816 A817 T822 L823 V824 Y841 Y842	A628-L820 HydrophobicContact CB-CB 4.03Å; A628-L820 HydrophobicContact CB-CD2 4.06Å; A628-L820 HydrophobicContact CB-CG 3.84Å; I630-L820 HydrophobicContact CD1-CD2 3.76Å; V645-L820 HydrophobicContact CG2-CD1 3.73Å; V645-L820 HydrophobicContact CG2-CD2 3.53Å; V645-L820 HydrophobicContact CG2-CG 3.46Å; V645-L820 VanDerWaalsContact CG2-CG 3.46Å; Y816-L820 PolarHBondContact O-N 3.3Å; A817-L820 PolarHBondContact O-N 3.45Å; L820-T822 VanDerWaalsContact C-N 3.32Å; L820-T822 PolarHBondContact O-N 3.37Å; L820-L823 PolarHBondContact O-N 2.85Å; L820-V824 HydrophobicContact CD1-CG2 4.17Å; L820-V824 WeakPolarHBondContact O-CG2 3.38Å; L820-V824 PolarHBondContact O-N 3.01Å; L820-Y841 HydrophobicContact CD1-CE2 4.03Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.45Å; L820-Y842 HydrophobicContact CB-CD1 4.23Å; L820-Y842 HydrophobicContact CB-CD2 3.8Å; L820-Y842 HydrophobicContact CB-CE2 4.23Å; L820-Y842 HydrophobicContact CB-CG 3.8Å; L820-Y842 HydrophobicContact CD1-CD1 3.93Å; L820-Y842 HydrophobicContact CD1-CG 3.89Å; L820-Y842 HydrophobicContact CD2-CD1 4.1Å; L820-Y842 HydrophobicContact CD2-CE1 4.22Å; L820-Y842 HydrophobicContact CD2-CG 4.5Å; L820-Y842 HydrophobicContact CG-CD1 4.31Å; L820-Y842 HydrophobicContact CG-CG 4.26Å
821	A	95.4	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.7	-45.6	176.4	0	0	0	0	0	111.5	A616 A628 A817 L823 V824 G825	A616-A821 VanDerWaalsContact CB-C 3.47Å; A616-A821 HydrophobicContact CB-CB 3.8Å; A616-A821 WeakPolarHBondContact CB-O 3.49Å; A628-A821 HydrophobicContact CB-CB 3.77Å; A817-A821 WeakPolarHBondContact O-CB 3.27Å; A817-A821 PolarHBondContact O-N 2.86Å; A821-L823 PolarHBondContact O-N 3.39Å; A821-V824 PolarHBondContact O-N 3.2Å; A821-G825 PolarHBondContact O-N 2.98Å
822	T	95.5	Very high	96.6	Very high	59 Å²	59	22.6 Å²	22.6	36%	0.362	12%	0.118	S	C	.	.	H	α-helix	trans	-61.5	-44.1	177.8	-56	0	0	0	0	111.5	K818 L820 V824 G825 T826	K818-T822 WeakPolarHBondContact O-CB 3.43Å; K818-T822 PolarHBondContact O-N 3.23Å; K818-T822 PolarHBondContact O-OG1 3.38Å; L820-T822 VanDerWaalsContact C-N 3.32Å; L820-T822 PolarHBondContact O-N 3.37Å; T822-V824 VanDerWaalsContact C-N 3.35Å; T822-V824 PolarHBondContact O-N 3.47Å; T822-G825 PolarHBondContact O-N 3.38Å; T822-T826 WeakPolarHBondContact O-CB 3.47Å; T822-T826 PolarHBondContact O-N 3.19Å; T822-T826 PolarHBondContact O-OG1 3.2Å
823	L	97.7	Very high	96.6	Very high	6 Å²	6	27 Å²	27	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-43.8	177	178	68.7	0	0	0	111.7	Y551 K555 Y559 K819 L820 A821 N827 L828	Y551-L823 HydrophobicContact CE1-CD1 4.23Å; K555-L823 HydrophobicContact CD-CD1 4.49Å; K555-L823 HydrophobicContact CG-CD1 4.43Å; Y559-L823 HydrophobicContact CD2-CD2 4.2Å; Y559-L823 HydrophobicContact CE2-CD2 4.02Å; K819-L823 WeakPolarHBondContact O-CB 2.93Å; K819-L823 PolarHBondContact O-N 2.65Å; K819-L823 VanDerWaalsContact O-N 3.07Å; L820-L823 PolarHBondContact O-N 2.85Å; A821-L823 PolarHBondContact O-N 3.39Å; L823-N827 HydrophobicContact CD1-CB 4.12Å; L823-N827 WeakPolarHBondContact O-CB 3.36Å; L823-N827 PolarHBondContact O-N 3.11Å; L823-L828 HydrophobicContact CD2-CD1 4.34Å; L823-L828 HydrophobicContact CG-CD1 4.17Å; L823-L828 HydrophobicContact CG-CG 4.26Å; L823-L828 PolarHBondContact O-N 2.99Å
824	V	97.5	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	I	π-helix	trans	-66.8	-49.7	179.2	178.7	0	0	0	0	111	Y626 V645 L820 A821 T822 T826 L828 H829 P832	Y626-V824 HydrophobicContact CD1-CG1 3.54Å; Y626-V824 HydrophobicContact CD2-CB 4.46Å; Y626-V824 HydrophobicContact CD2-CG1 3.77Å; Y626-V824 HydrophobicContact CE1-CG1 3.93Å; Y626-V824 HydrophobicContact CE2-CG1 4.11Å; Y626-V824 HydrophobicContact CG-CB 4.25Å; Y626-V824 HydrophobicContact CG-CG1 3.46Å; Y626-V824 VanDerWaalsContact CG-CG1 3.46Å; V645-V824 HydrophobicContact CG1-CB 4.45Å; V645-V824 HydrophobicContact CG1-CG1 4.3Å; V645-V824 HydrophobicContact CG1-CG2 4.16Å; V645-V824 HydrophobicContact CG2-CG2 4.21Å; L820-V824 HydrophobicContact CD1-CG2 4.17Å; L820-V824 WeakPolarHBondContact O-CG2 3.38Å; L820-V824 PolarHBondContact O-N 3.01Å; A821-V824 PolarHBondContact O-N 3.2Å; T822-V824 VanDerWaalsContact C-N 3.35Å; T822-V824 PolarHBondContact O-N 3.47Å; V824-T826 VanDerWaalsContact C-N 3.34Å; V824-T826 PolarHBondContact O-N 3.12Å; V824-L828 HydrophobicContact CG2-CD1 4.02Å; V824-L828 PolarHBondContact O-N 3.3Å; V824-H829 PolarHBondContact O-N 3.19Å; V824-P832 HydrophobicContact CG2-CG 4.13Å
825	G	93.3	Very high	96.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-69	-24.9	-179.4	0	0	0	0	0	115.3	S618 T619 A821 T822 H829	S618-G825 WeakPolarHBondContact CA-O 3.4Å; T619-G825 PolarHBondContact N-O 3.13Å; T619-G825 PolarHBondContact OG1-O 3.31Å; A821-G825 PolarHBondContact O-N 2.98Å; T822-G825 PolarHBondContact O-N 3.38Å; G825-H829 PolarHBondContact O-CE1 3.43Å; G825-H829 PolarHBondContact O-ND1 3.18Å
826	T	91.9	Very high	96.4	Very high	54 Å²	54	33 Å²	33	33%	0.331	18%	0.183	S	C	.	.	I	π-helix	trans	-101.9	-29.2	-175.1	-46.8	0	0	0	0	113.7	T619 T822 V824	T619-T826 HydrophobicContact CG2-CG2 4.23Å; T822-T826 WeakPolarHBondContact O-CB 3.47Å; T822-T826 PolarHBondContact O-N 3.19Å; T822-T826 PolarHBondContact O-OG1 3.2Å; V824-T826 VanDerWaalsContact C-N 3.34Å; V824-T826 PolarHBondContact O-N 3.12Å
827	N	95.2	Very high	96.4	Very high	24 Å²	24	34.3 Å²	34.3	13%	0.128	19%	0.19	C	C	.	.	I	π-helix	trans	-132.2	-36.4	-167.3	-55.9	113.4	0	0	0	114.9	Y551 S552 L823	Y551-N827 HydrophobicContact CE1-CB 4.37Å; S552-N827 WeakPolarHBondContact CB-O 3.28Å; S552-N827 PolarHBondContact OG-ND2 3.29Å; L823-N827 HydrophobicContact CD1-CB 4.12Å; L823-N827 WeakPolarHBondContact O-CB 3.36Å; L823-N827 PolarHBondContact O-N 3.11Å
828	L	96.6	Very high	96.4	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.201	C	C	.	.	I	π-helix	trans	-90.5	-41.5	-175.9	-54.5	179.9	0	0	0	112.6	K555 K556 Y559 V560 L823 V824 S830 P832	K555-L828 VanDerWaalsContact C-CD2 3.42Å; K555-L828 HydrophobicContact CB-CD2 3.75Å; K555-L828 WeakPolarHBondContact O-CD2 3.48Å; K556-L828 HydrophobicContact CB-CD2 4.34Å; Y559-L828 HydrophobicContact CD2-CD1 4.44Å; V560-L828 HydrophobicContact CG2-CB 4.17Å; V560-L828 HydrophobicContact CG2-CD1 4.36Å; V560-L828 HydrophobicContact CG2-CD2 4.34Å; L823-L828 HydrophobicContact CD2-CD1 4.34Å; L823-L828 HydrophobicContact CG-CD1 4.17Å; L823-L828 HydrophobicContact CG-CG 4.26Å; L823-L828 PolarHBondContact O-N 2.99Å; V824-L828 HydrophobicContact CG2-CD1 4.02Å; V824-L828 PolarHBondContact O-N 3.3Å; L828-S830 PolarHBondContact O-N 3.44Å; L828-S830 VanDerWaalsContact O-N 3.12Å; L828-S830 PolarHBondContact O-OG 2.84Å; L828-P832 HydrophobicContact CD1-CG 3.91Å
829	H	94.7	Very high	96.4	Very high	47 Å²	47	37 Å²	37	22%	0.218	20%	0.201	C	C	.	.			trans	48.7	32.3	-172.7	-47.4	-61.7	0	0	0	113.4	S618 T619 V824 G825	S618-H829 PolarHBondContact OG-ND1 3.31Å; T619-H829 PolarHBondContact OG1-CE1 2.66Å; T619-H829 VanDerWaalsContact OG1-CE1 3.3Å; V824-H829 PolarHBondContact O-N 3.19Å; G825-H829 PolarHBondContact O-CE1 3.43Å; G825-H829 PolarHBondContact O-ND1 3.18Å
830	S	95	Very high	96.5	Very high	30 Å²	30	34.7 Å²	34.7	21%	0.21	19%	0.191	C	C	.	.	S	Bend	trans	-165	150.7	-174.5	-57	0	0	0	0	108.2	K556 L828	K556-S830 PolarHBondContact NZ-OG 3.37Å; L828-S830 PolarHBondContact O-N 3.44Å; L828-S830 VanDerWaalsContact O-N 3.12Å; L828-S830 PolarHBondContact O-OG 2.84Å
831	I	96.4	Very high	96.5	Very high	80 Å²	80	35 Å²	35	41%	0.41	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-72.2	135.8	179.6	-58.8	176.2	0	0	0	109.6
832	P	97.8	Very high	96.6	Very high	8 Å²	8	35 Å²	35	5%	0.052	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-67.7	159.6	175.1	-21.4	34.4	0	0	0	114.1	Y559 V824 L828 Y841	Y559-P832 CarbonylContact O-C 3.6Å; Y559-P832 VanDerWaalsContact O-CA 3.26Å; Y559-P832 WeakPolarHBondContact O-CA 3.37Å; V824-P832 HydrophobicContact CG2-CG 4.13Å; L828-P832 HydrophobicContact CD1-CG 3.91Å; P832-Y841 HydrophobicContact CB-CE2 3.86Å; P832-Y841 HydrophobicContact CG-CE2 3.9Å
833	Q	98	Very high	96.7	Very high	91 Å²	91	32.7 Å²	32.7	43%	0.425	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-61.6	132.2	174.8	-71.8	-69.8	-15.7	0	0	112.8	Y559 V560 R562 A563 A835 L836	Y559-Q833 PolarHBondContact O-N 2.67Å; V560-Q833 WeakPolarHBondContact O-CG 3.39Å; V560-Q833 PolarHBondContact O-NE2 3.26Å; R562-Q833 WeakPolarHBondContact O-CG 3.11Å; A563-Q833 HydrophobicContact CB-CB 3.83Å; A563-Q833 HydrophobicContact CB-CG 4.19Å; Q833-A835 PolarHBondContact O-N 3.14Å; Q833-A835 VanDerWaalsContact O-N 3.14Å; Q833-L836 WeakPolarHBondContact O-CB 3.29Å; Q833-L836 PolarHBondContact O-N 2.84Å
834	N	96.3	Very high	96.6	Very high	93 Å²	93	34 Å²	34	50%	0.497	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-60.9	-25.7	-177.9	-65.6	-8.8	0	0	0	113.4	L836 E837	N834-L836 PolarHBondContact O-N 2.95Å; N834-E837 HydrophobicContact CB-CG 4.36Å; N834-E837 VanDerWaalsContact O-CB 3.31Å; N834-E837 WeakPolarHBondContact O-CB 3.42Å; N834-E837 WeakPolarHBondContact O-CG 2.87Å; N834-E837 PolarHBondContact O-N 2.73Å; N834-E837 PolarHBondContact OD1-OE1 3.19Å
835	A	97.2	Very high	96.6	Very high	79 Å²	79	35.8 Å²	35.8	65%	0.653	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-61.9	-8.1	175.3	0	0	0	0	0	114.3	A563 Q833	A563-A835 HydrophobicContact CB-CB 4.01Å; Q833-A835 PolarHBondContact O-N 3.14Å; Q833-A835 VanDerWaalsContact O-N 3.14Å
836	L	97.7	Very high	96.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-97.1	-5	174.1	-65.6	175.9	0	0	0	114.2	Y559 A563 P565 Q833 N834 K838 K839 Y841	Y559-L836 HydrophobicContact CD1-CD1 3.96Å; Y559-L836 HydrophobicContact CG-CD1 4.2Å; A563-L836 HydrophobicContact CB-CG 4.36Å; A563-L836 WeakPolarHBondContact O-CD2 3.46Å; P565-L836 HydrophobicContact CG-CD2 4.09Å; Q833-L836 WeakPolarHBondContact O-CB 3.29Å; Q833-L836 PolarHBondContact O-N 2.84Å; N834-L836 PolarHBondContact O-N 2.95Å; L836-K838 PolarHBondContact O-N 2.86Å; L836-K839 HydrophobicContact CD2-CD 4.29Å; L836-K839 PolarHBondContact O-N 3.48Å; L836-Y841 HydrophobicContact CB-CD1 3.52Å; L836-Y841 HydrophobicContact CB-CE1 3.7Å; L836-Y841 HydrophobicContact CB-CG 3.97Å; L836-Y841 HydrophobicContact CD1-CD1 4.42Å; L836-Y841 HydrophobicContact CD1-CD2 4.04Å; L836-Y841 HydrophobicContact CD1-CE2 4.46Å; L836-Y841 HydrophobicContact CD1-CG 4.02Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.43Å; L836-Y841 VanDerWaalsContact O-CD1 3.28Å; L836-Y841 WeakPolarHBondContact O-CD1 3.25Å; L836-Y841 WeakPolarHBondContact O-CE1 3.33Å
837	E	97.6	Very high	97	Very high	29 Å²	29	36.8 Å²	36.8	14%	0.136	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.2	-170.1	-77.3	170.1	164.7	0	0	114.5	F642 S643 K664 N834	F642-E837 CarbonylContact C-O 3.54Å; F642-E837 WeakPolarHBondContact CA-O 3.36Å; F642-E837 HydrophobicContact CD2-CB 3.89Å; F642-E837 HydrophobicContact CE2-CB 3.7Å; F642-E837 HydrophobicContact CE2-CG 3.95Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.15Å; F642-E837 HydrophobicContact CZ-CG 4.39Å; S643-E837 PolarHBondContact N-O 3.45Å; S643-E837 WeakPolarHBondContact O-CA 3.38Å; S643-E837 WeakPolarHBondContact O-CG 3.15Å; S643-E837 PolarHBondContact OG-O 2.66Å; K664-E837 VanDerWaalsContact CE-OE1 3.28Å; K664-E837 WeakPolarHBondContact CE-OE1 3.41Å; K664-E837 IonicContact NZ-OE1 2.71Å; K664-E837 PolarHBondContact NZ-OE1 3.17Å; N834-E837 HydrophobicContact CB-CG 4.36Å; N834-E837 VanDerWaalsContact O-CB 3.31Å; N834-E837 WeakPolarHBondContact O-CB 3.42Å; N834-E837 WeakPolarHBondContact O-CG 2.87Å; N834-E837 PolarHBondContact O-N 2.73Å; N834-E837 PolarHBondContact OD1-OE1 3.19Å
838	K	97.6	Very high	97.2	Very high	56 Å²	56	37.6 Å²	37.6	24%	0.243	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	2.6	179.9	-71.2	-64.3	-52.9	-164	0	115.3	T640 Y641 Q668 E672 L836	T640-K838 PolarHBondContact OG1-NZ 2.65Å; Y641-K838 WeakPolarHBondContact O-CE 3.49Å; Q668-K838 HydrophobicContact CG-CD 4.16Å; E672-K838 WeakPolarHBondContact OE1-CD 3.38Å; E672-K838 VanDerWaalsContact OE1-CE 3.26Å; E672-K838 WeakPolarHBondContact OE1-CE 3.46Å; E672-K838 IonicContact OE1-NZ 2.81Å; E672-K838 PolarHBondContact OE1-NZ 2.99Å; E672-K838 IonicContact OE2-NZ 3.67Å; E672-K838 PolarHBondContact OE2-NZ 3.42Å; L836-K838 PolarHBondContact O-N 2.86Å
839	K	97.9	Very high	97.2	Very high	67 Å²	67	40.1 Å²	40.1	29%	0.291	22%	0.215	S	C	.	.	S	Bend	trans	-115.7	151.7	-174.4	-66.4	175.6	179.7	171.4	0	111.5	P565 L836 Y841	P565-K839 HydrophobicContact CG-CD 4.03Å; L836-K839 HydrophobicContact CD2-CD 4.29Å; L836-K839 PolarHBondContact O-N 3.48Å; K839-Y841 WeakPolarHBondContact O-CD1 3.21Å; K839-Y841 PolarHBondContact O-N 2.95Å
840	F	98.3	Very high	97.4	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.022	22%	0.215	C	C	.	.			trans	-83.5	44	172.1	-64.7	-80.4	0	0	0	112.6	C592 K593 Y641 Y802 Y816 Y842 L843	C592-F840 HydrophobicContact CB-CB 3.81Å; C592-F840 HydrophobicContact CB-CD2 3.84Å; C592-F840 HydrophobicContact CB-CG 4.12Å; C592-F840 WeakPolarHBondContact O-CB 3.35Å; C592-F840 WeakPolarHBondContact O-CD2 3.35Å; C592-F840 PolarHBondContact O-N 3.06Å; C592-F840 VanDerWaalsContact O-N 3.13Å; K593-F840 WeakPolarHBondContact CG-O 3.26Å; Y641-F840 HydrophobicContact CD2-CE1 4.17Å; Y641-F840 HydrophobicContact CD2-CE2 4.24Å; Y641-F840 AromaticContact CD2-CZ 3.4Å; Y641-F840 HydrophobicContact CD2-CZ 3.4Å; Y641-F840 AromaticContact CE2-CZ 3.93Å; Y641-F840 HydrophobicContact CE2-CZ 3.93Å; Y641-F840 HydrophobicContact CG-CE1 4.32Å; Y641-F840 AromaticContact CG-CZ 3.96Å; Y641-F840 HydrophobicContact CG-CZ 3.96Å; Y802-F840 HydrophobicContact CD2-CD2 4.43Å; Y802-F840 AromaticContact CD2-CE2 3.77Å; Y802-F840 HydrophobicContact CD2-CE2 3.77Å; Y802-F840 AromaticContact CD2-CZ 3.8Å; Y802-F840 HydrophobicContact CD2-CZ 3.8Å; Y802-F840 AromaticContact CE2-CE2 3.73Å; Y802-F840 HydrophobicContact CE2-CE2 3.73Å; Y802-F840 AromaticContact CE2-CZ 3.63Å; Y802-F840 HydrophobicContact CE2-CZ 3.63Å; Y816-F840 AromaticContact CD1-CD1 3.95Å; Y816-F840 HydrophobicContact CD1-CD1 3.95Å; Y816-F840 AromaticContact CD1-CE1 3.88Å; Y816-F840 HydrophobicContact CD1-CE1 3.88Å; Y816-F840 HydrophobicContact CD2-CE1 4.07Å; Y816-F840 AromaticContact CE1-CD1 3.66Å; Y816-F840 HydrophobicContact CE1-CD1 3.66Å; Y816-F840 AromaticContact CE1-CE1 3.47Å; Y816-F840 HydrophobicContact CE1-CE1 3.47Å; Y816-F840 VanDerWaalsContact CE1-CE1 3.47Å; Y816-F840 HydrophobicContact CE1-CZ 4.4Å; Y816-F840 AromaticContact CE2-CE1 3.69Å; Y816-F840 HydrophobicContact CE2-CE1 3.69Å; Y816-F840 HydrophobicContact CE2-CZ 4.25Å; Y816-F840 HydrophobicContact CG-CE1 4.18Å; Y816-F840 AromaticContact CZ-CE1 3.37Å; Y816-F840 AromaticContact CZ-CZ 3.95Å; F840-Y842 AromaticContact CD1-CZ 3.97Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.22Å; F840-Y842 PolarHBondContact O-N 3.15Å; F840-Y842 VanDerWaalsContact O-N 3.11Å; F840-L843 HydrophobicContact CB-CD1 3.66Å; F840-L843 HydrophobicContact CB-CG 3.95Å; F840-L843 HydrophobicContact CD1-CD1 4.28Å; F840-L843 HydrophobicContact CG-CD1 4.14Å; F840-L843 PolarHBondContact O-N 3.11Å
841	Y	98.4	Very high	97.6	Very high	5 Å²	5	40.3 Å²	40.3	2%	0.02	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.3	-175.9	64.1	-85.9	0	0	0	113	Y559 L820 P832 L836 K839 L843	Y559-Y841 HydrophobicContact CD1-CD2 4.43Å; Y559-Y841 AromaticContact CD2-CD2 3.71Å; Y559-Y841 HydrophobicContact CD2-CD2 3.71Å; Y559-Y841 HydrophobicContact CD2-CE2 4.3Å; Y559-Y841 AromaticContact CE2-CD2 3.82Å; Y559-Y841 HydrophobicContact CE2-CD2 3.82Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.49Å; Y559-Y841 HydrophobicContact CG-CD2 4.03Å; Y559-Y841 PolarHBondContact OH-O 3.06Å; L820-Y841 HydrophobicContact CD1-CE2 4.03Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.45Å; P832-Y841 HydrophobicContact CB-CE2 3.86Å; P832-Y841 HydrophobicContact CG-CE2 3.9Å; L836-Y841 HydrophobicContact CB-CD1 3.52Å; L836-Y841 HydrophobicContact CB-CE1 3.7Å; L836-Y841 HydrophobicContact CB-CG 3.97Å; L836-Y841 HydrophobicContact CD1-CD1 4.42Å; L836-Y841 HydrophobicContact CD1-CD2 4.04Å; L836-Y841 HydrophobicContact CD1-CE2 4.46Å; L836-Y841 HydrophobicContact CD1-CG 4.02Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.43Å; L836-Y841 VanDerWaalsContact O-CD1 3.28Å; L836-Y841 WeakPolarHBondContact O-CD1 3.25Å; L836-Y841 WeakPolarHBondContact O-CE1 3.33Å; K839-Y841 WeakPolarHBondContact O-CD1 3.21Å; K839-Y841 PolarHBondContact O-N 2.95Å; Y841-L843 VanDerWaalsContact C-N 3.33Å; Y841-L843 PolarHBondContact O-N 2.69Å
842	Y	98.1	Very high	97.7	Very high	2 Å²	2	37 Å²	37	1%	0.008	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.1	-175	52.5	-90.7	0	0	0	115.2	I630 Y816 K819 L820 F840	I630-Y842 HydrophobicContact CD1-CE1 4.38Å; Y816-Y842 AromaticContact CD1-CE2 3.98Å; Y816-Y842 HydrophobicContact CD1-CE2 3.98Å; Y816-Y842 HydrophobicContact CG-CE2 4.38Å; K819-Y842 HydrophobicContact CB-CD2 4.31Å; K819-Y842 HydrophobicContact CG-CD2 4.2Å; K819-Y842 WeakPolarHBondContact CG-O 3.3Å; K819-Y842 PolarHBondContact NZ-O 2.88Å; L820-Y842 HydrophobicContact CB-CD1 4.23Å; L820-Y842 HydrophobicContact CB-CD2 3.8Å; L820-Y842 HydrophobicContact CB-CE2 4.23Å; L820-Y842 HydrophobicContact CB-CG 3.8Å; L820-Y842 HydrophobicContact CD1-CD1 3.93Å; L820-Y842 HydrophobicContact CD1-CG 3.89Å; L820-Y842 HydrophobicContact CD2-CD1 4.1Å; L820-Y842 HydrophobicContact CD2-CE1 4.22Å; L820-Y842 HydrophobicContact CD2-CG 4.5Å; L820-Y842 HydrophobicContact CG-CD1 4.31Å; L820-Y842 HydrophobicContact CG-CG 4.26Å; F840-Y842 AromaticContact CD1-CZ 3.97Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.22Å; F840-Y842 PolarHBondContact O-N 3.15Å; F840-Y842 VanDerWaalsContact O-N 3.11Å
843	L	97.1	Very high	97.6	Very high	9 Å²	9	39.6 Å²	39.6	5%	0.047	21%	0.213	C	C	.	.			trans	-68.7	0	175.8	-71.1	-176	0	0	0	113.1	Q589 C592 K593 Y801 N803 Y816 K819 F840 Y841	Q589-L843 HydrophobicContact CG-CB 4.26Å; Q589-L843 PolarHBondContact NE2-O 3.03Å; Q589-L843 PolarHBondContact NE2-OXT 3.21Å; C592-L843 HydrophobicContact CB-CD1 3.98Å; K593-L843 WeakPolarHBondContact CE-OXT 3.23Å; K593-L843 PolarHBondContact NZ-OXT 3.35Å; Y801-L843 HydrophobicContact CE2-CD2 3.97Å; N803-L843 HydrophobicContact CB-CD2 4.22Å; N803-L843 PolarHBondContact ND2-O 3.23Å; Y816-L843 HydrophobicContact CD1-CD2 3.97Å; Y816-L843 HydrophobicContact CE1-CD1 4.26Å; Y816-L843 HydrophobicContact CE1-CD2 3.98Å; K819-L843 VanDerWaalsContact CE-O 3.24Å; K819-L843 WeakPolarHBondContact CE-O 3.39Å; K819-L843 HydrophobicContact CG-CD2 4.29Å; K819-L843 PolarHBondContact NZ-O 2.85Å; F840-L843 HydrophobicContact CB-CD1 3.66Å; F840-L843 HydrophobicContact CB-CG 3.95Å; F840-L843 HydrophobicContact CD1-CD1 4.28Å; F840-L843 HydrophobicContact CG-CD1 4.14Å; F840-L843 PolarHBondContact O-N 3.11Å; Y841-L843 VanDerWaalsContact C-N 3.33Å; Y841-L843 PolarHBondContact O-N 2.69Å

Retrieved 843 of 843 residues in 363.2 ms (Link to these results)

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