A0A075BJD6_DROME Loading...

Piwi

AlphaFold DB , UniProt , Accession A0A075BJD6, Species DROME (Drosophila melanogaster, Fruit fly), Gene piwi, Length 843 aa.

						>A0A075BJD6_DROME|A0A075BJD6|piwi
MADDQGRGRRRPLNEDDSSTSRGSGDGPRVKVFRGSSSGDPRADPRIEASRERGALEEAPRREGGPPERKPWGDQYDYLNTRPVELVSKKGTDGVPVMLQTNFFRLKTKPEWRIVHYHVEFVPTIENPRVRMGILSNHANLLGSGYLFDGLQLFTTRKFEQEITVLSGKSKLDIEYKISIKFVGFISCAEPRFLQVLNLILRRSMKGLNLELVGRNLFDPRAKIEIREFKMELWPGYETSIRQHEKDILLGTEITHKVMRTETIYDIMRRCSHNPARHQDEVRVNVLDLIVLTDYNNRTYRINDVDFGQTPKSTFSCKGRDISFVEYYLTKYNIRIRDHNQPLLISKNRDKAQKTNASELVVLIPELCRVTGLNAEMRSNFQLMRAMSSYTRMNPKQRTDRLRAFNHRLQNTPESVKVLRDWNMELDKNVTEVQGRIIGQQNIVFHNGKVPAGENADWQRHFRDQRMLTTPSDGLDRWAVIAPQRNSHELRTLLDSLYRAASGMGLRVRSPQEFIIYDDRTGTYVRAMDDCVRSDPKLILCLVPNDNAERYSSIKKRGYVDRAVPTQVVTLKTTKNRSLMSIATKIAIQLNCKLGYTPWMIELPLSGLMTIGFDIAKSTRDRKRAYGALIASMDLQQNSTYFSTVTECSAFDVLANTLWPMIAKALRQYQHEHRKLPSRIVFYRDGVSSGSLKQLFEFEVKDIIEKLKTEYARVQLSPPQLAYIVVTRSMNTRFFLNGQNPPPGTIVDDVITLPERYDFYLVSQQVRQGTVSPTSYNVLYSSMGLSPEKMQKLTYKMCHLYYNWSGTTRVPAVCQYAKKLATLVGTNLHSIPQNALEKKFYYL
					

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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	31.6	Very low	238 Å²	238	175.3 Å²	175.3	100%	1.172	86%	0.864	S	S	*	*				0	81.7	0	-59.9	169.9	-174	0	0	104.7
2	A	29.8	Very low	32.9	Very low	82 Å²	82	169.5 Å²	169.5	68%	0.678	85%	0.85	S	S	*	*				68.2	134	74.2	0	0	0	0	0	110.1
3	D	32.3	Very low	32.6	Very low	158 Å²	158	166.9 Å²	166.9	85%	0.845	84%	0.839	S	S	*	*			cis	174.5	-175.5	-0.8	-88.9	-26.7	0	0	0	101.9
4	D	35	Very low	32.5	Very low	119 Å²	119	164 Å²	164	64%	0.636	83%	0.827	S	S	*	*			cis	-157.4	163.5	-49.3	177	31.1	0	0	0	106.1
5	Q	34.4	Very low	32.3	Very low	178 Å²	178	162.5 Å²	162.5	83%	0.832	82%	0.816	S	S	*	*			trans	62.4	169	169.6	-74.1	167	69.9	0	0	116.9
6	G	28.3	Very low	32.2	Very low	72 Å²	72	160.9 Å²	160.9	74%	0.742	81%	0.811	S	S	*	*			cis	-157.2	-174.5	4.7	0	0	0	0	0	115
7	R	32.3	Very low	32	Very low	264 Å²	264	160.5 Å²	160.5	100%	0.996	81%	0.812	S	S	*	*			trans	-90.4	157.1	-169.3	-59.3	164.6	174.8	162.9	-3.3	113.5
8	G	27	Very low	31.8	Very low	80 Å²	80	156.3 Å²	156.3	83%	0.825	80%	0.8	S	S	*	*			trans	-158.9	131.5	164.4	0	0	0	0	0	114.5
9	R	32.5	Very low	31.6	Very low	247 Å²	247	153.5 Å²	153.5	93%	0.932	80%	0.796	S	S	*	*			trans	-126.2	142.1	171.3	-78.8	176	165.1	177.8	-5.4	108.8
10	R	29	Very low	31.5	Very low	251 Å²	251	152.2 Å²	152.2	95%	0.947	80%	0.795	S	S	*	*				173.6	154.2	123.7	-98.2	169.6	177.2	-178.7	-1.1	114.9
11	R	34.2	Very low	31.3	Very low	239 Å²	239	149.2 Å²	149.2	90%	0.902	79%	0.787	S	S	*	*			trans	-94	174.3	158.3	-96.3	-175	-179.6	-171.5	-0.2	107.7
12	P	47.5	Very low	31.2	Very low	106 Å²	106	149.5 Å²	149.5	69%	0.688	78%	0.775	S	S	*	*			cis	-158.6	-161	45.6	40.8	-14.8	0	0	0	118
13	L	29.4	Very low	31.1	Very low	136 Å²	136	148.6 Å²	148.6	71%	0.712	77%	0.773	S	S	*	*			trans	75	135.2	164.8	-60.3	165.5	0	0	0	115.8
14	N	30.1	Very low	31	Very low	126 Å²	126	147.4 Å²	147.4	67%	0.674	78%	0.778	S	S	*	*			cis	79.6	145.4	48.7	-66.9	33.3	0	0	0	111.9
15	E	30.1	Very low	30.7	Very low	141 Å²	141	145.5 Å²	145.5	66%	0.659	79%	0.786	S	S	*	*			cis	-154.7	148.3	21.5	-133.4	133.3	-117	0	0	113
16	D	30.5	Very low	30.5	Very low	138 Å²	138	145.3 Å²	145.3	74%	0.738	79%	0.791	S	S	*	*			trans	40.9	136.8	135	-57.5	1.2	0	0	0	126.8
17	D	29.5	Very low	30.6	Very low	154 Å²	154	144.7 Å²	144.7	82%	0.824	78%	0.784	S	S	*	*			trans	57.7	160.1	133.4	-83.9	-7	0	0	0	124.6
18	S	27.8	Very low	31	Very low	85 Å²	85	138.4 Å²	138.4	59%	0.594	78%	0.778	S	S	*	*			cis	-165.4	163.3	-15.8	51.8	0	0	0	0	112.8
19	S	28.3	Very low	31.1	Very low	103 Å²	103	145.7 Å²	145.7	72%	0.72	78%	0.78	S	S	*	*			trans	67.4	168.4	155.1	83.7	0	0	0	0	117.3
20	T	29.7	Very low	31.1	Very low	127 Å²	127	139 Å²	139	78%	0.779	77%	0.766	S	S	*	*			cis	-166.1	164.6	-11.5	22.5	0	0	0	0	106.4
21	S	27.9	Very low	31.1	Very low	89 Å²	89	136.6 Å²	136.6	62%	0.622	76%	0.763	S	S	*	*			cis	-171.8	179.6	-17.4	56.2	0	0	0	0	110.2
22	R	30.1	Very low	30.8	Very low	244 Å²	244	131.2 Å²	131.2	92%	0.921	76%	0.756	S	S	*	*			trans	78.7	135.6	170	-55.5	169.6	-179.5	-169.4	-2	116.9
23	G	27.2	Very low	30	Very low	63 Å²	63	135.7 Å²	135.7	65%	0.649	77%	0.766	S	S	*	*			cis	167.4	155.6	-13.1	0	0	0	0	0	115.2
24	S	29.8	Very low	29.9	Very low	134 Å²	134	141.2 Å²	141.2	94%	0.937	78%	0.777	S	S	*	*			trans	54.4	141.4	162.5	50.5	0	0	0	0	119.9
25	G	28.8	Very low	29.7	Very low	79 Å²	79	138.3 Å²	138.3	81%	0.814	78%	0.777	S	S	*	*			cis	-150	-165.3	-5.4	0	0	0	0	0	108.6
26	D	29.3	Very low	29.6	Very low	173 Å²	173	137.4 Å²	137.4	93%	0.925	79%	0.786	S	S	*	*			cis	-159.4	171.2	10.3	178.2	32.2	0	0	0	109.4
27	G	31.2	Very low	29.4	Very low	59 Å²	59	136 Å²	136	61%	0.608	79%	0.786	S	S	*	*			trans	120.9	119.3	166.3	0	0	0	0	0	115.6
28	P	40.3	Very low	29.3	Very low	133 Å²	133	134.7 Å²	134.7	86%	0.864	79%	0.79	S	S	*	*			trans	-105.5	170.2	-154.3	39.7	-38	0	0	0	117.5
29	R	28.7	Very low	29.2	Very low	232 Å²	232	134.8 Å²	134.8	88%	0.875	80%	0.804	S	S	*	*			trans	-154.6	156	178.1	-151.3	-171.7	-166.6	-164.5	6.5	111.1
30	V	33	Very low	29.2	Very low	106 Å²	106	136.8 Å²	136.8	64%	0.642	81%	0.807	S	S	*	*			trans	77.2	126.5	160.3	-171.6	0	0	0	0	119.8	V32	V30-V32 HydrophobicContact CG1-CG2 3.6Å
31	K	29.1	Very low	29.9	Very low	202 Å²	202	135.4 Å²	135.4	88%	0.878	80%	0.8	S	S	*	*				-170.8	136.9	126.3	-95.1	153.8	-174.6	178.8	0	107.8
32	V	28.8	Very low	29.9	Very low	125 Å²	125	142.2 Å²	142.2	76%	0.758	81%	0.812	S	S	*	*			cis	101.2	130.8	25.4	175.5	0	0	0	0	113.3	V30	V30-V32 HydrophobicContact CG1-CG2 3.6Å
33	F	29.6	Very low	29.8	Very low	201 Å²	201	135.4 Å²	135.4	88%	0.882	81%	0.807	S	S	*	*			trans	-63.1	145.6	-173.3	-97.7	-106.9	0	0	0	115.8
34	R	28.2	Very low	29.9	Very low	252 Å²	252	138.1 Å²	138.1	95%	0.951	81%	0.807	S	S	*	*				-169.7	178.1	127.7	-104.3	175.4	-174.2	-158.4	1.4	109.3
35	G	25.6	Very low	30.6	Very low	65 Å²	65	137.1 Å²	137.1	67%	0.67	80%	0.798	S	S	*	*			trans	-157.8	-160.4	-178.4	0	0	0	0	0	114.3
36	S	27.1	Very low	30.5	Very low	121 Å²	121	143.4 Å²	143.4	85%	0.846	80%	0.797	S	S	*	*			trans	89.3	137.6	177.8	71.7	0	0	0	0	119.6
37	S	26.6	Very low	30.5	Very low	108 Å²	108	142.6 Å²	142.6	76%	0.755	79%	0.791	S	S	*	*			trans	55.8	111.9	160.3	61	0	0	0	0	121.9
38	S	27.2	Very low	30.3	Very low	128 Å²	128	149 Å²	149	90%	0.895	81%	0.805	S	S	*	*				172.2	156.1	97.3	47.5	0	0	0	0	112.8
39	G	26.3	Very low	29.5	Very low	86 Å²	86	147.6 Å²	147.6	89%	0.887	80%	0.804	S	S	*	*			trans	94.2	111.5	160.6	0	0	0	0	0	118.5
40	D	28.5	Very low	29.3	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	80%	0.8	S	S	*	*			trans	-124.9	146.9	159.9	174.9	46.1	0	0	0	107.1
41	P	44.8	Very low	29	Very low	97 Å²	97	147 Å²	147	63%	0.63	81%	0.808	S	S	*	*				-153.6	145.4	106.3	36.9	-17.6	0	0	0	117.8
42	R	28.7	Very low	28.8	Very low	233 Å²	233	144.1 Å²	144.1	88%	0.879	80%	0.798	S	S	*	*			trans	78.3	144.5	147.7	-65.3	159.5	-173.1	-169.9	1.5	118.1
43	A	26.9	Very low	28.9	Very low	100 Å²	100	150 Å²	150	83%	0.826	81%	0.806	S	S	*	*			cis	-145.3	158.8	0.4	0	0	0	0	0	113.9
44	D	29.1	Very low	28.6	Very low	121 Å²	121	144.4 Å²	144.4	65%	0.647	81%	0.805	S	S	*	*			trans	-90.2	167.3	179.4	-168.8	32.4	0	0	0	111.1	R46	D44-R46 VanDerWaalsContact CG-N 3.31Å; D44-R46 PolarHBondContact OD1-N 3.21Å; D44-R46 VanDerWaalsContact OD2-CG 3.31Å; D44-R46 WeakPolarHBondContact OD2-CG 3.25Å; D44-R46 PolarHBondContact OD2-N 2.76Å
45	P	44	Very low	28.7	Very low	113 Å²	113	137.2 Å²	137.2	73%	0.734	80%	0.8	S	S	*	*				-148.7	118.9	82.1	35.2	-14.1	0	0	0	117.6
46	R	28.1	Very low	28.7	Very low	211 Å²	211	141.6 Å²	141.6	80%	0.796	81%	0.807	S	S	*	*			trans	62.8	154.3	131.8	-52.2	178.3	178.2	179.2	-3.8	118.2	D44	D44-R46 VanDerWaalsContact CG-N 3.31Å; D44-R46 PolarHBondContact OD1-N 3.21Å; D44-R46 VanDerWaalsContact OD2-CG 3.31Å; D44-R46 WeakPolarHBondContact OD2-CG 3.25Å; D44-R46 PolarHBondContact OD2-N 2.76Å
47	I	28.5	Very low	28.6	Very low	156 Å²	156	144.4 Å²	144.4	80%	0.8	81%	0.807	S	S	*	*			cis	-145.6	145.7	35	-73.3	171.6	0	0	0	110.6
48	E	26.4	Very low	28.6	Very low	193 Å²	193	146.9 Å²	146.9	90%	0.902	81%	0.806	S	S	*	*			trans	-91.9	149.1	163.4	-68.1	-171.9	119.9	0	0	112.5
49	A	24.5	Very low	28.5	Very low	103 Å²	103	144.9 Å²	144.9	85%	0.851	80%	0.798	S	S	*	*			trans	-149.7	148.7	152.4	0	0	0	0	0	109.4
50	S	25.5	Very low	28.5	Very low	113 Å²	113	146.9 Å²	146.9	79%	0.79	80%	0.795	S	S	*	*			trans	-142.2	165.7	-174.4	56.4	0	0	0	0	112.9
51	R	26	Very low	28.3	Very low	212 Å²	212	149.5 Å²	149.5	80%	0.8	79%	0.794	S	S	*	*			trans	106.1	129.5	165.7	-66.8	-179.4	169.9	-135.8	12.9	119.7
52	E	24.1	Very low	27.4	Very low	143 Å²	143	156.6 Å²	156.6	67%	0.668	81%	0.808	S	S	*	*			trans	85.3	125.1	131.6	-73	168.3	-138.9	0	0	123.2
53	R	31.7	Very low	27.3	Very low	248 Å²	248	154.8 Å²	154.8	94%	0.936	81%	0.809	S	S	*	*			trans	7.1	118.2	154.6	-53.7	-179.8	-173.3	-159.5	2.2	119.3
54	G	22.3	Very low	27.2	Very low	83 Å²	83	153.8 Å²	153.8	86%	0.856	81%	0.809	S	S	*	*			trans	-129.4	145.8	145.6	0	0	0	0	0	109.7
55	A	31.9	Very low	27	Very low	102 Å²	102	150.9 Å²	150.9	84%	0.843	81%	0.807	S	S	*	*			trans	-107.2	145.3	178	0	0	0	0	0	110.9
56	L	25.7	Very low	26.2	Very low	156 Å²	156	151.4 Å²	151.4	82%	0.817	81%	0.811	S	S	*	*			trans	-147.6	104.9	172.7	-99.8	166.3	0	0	0	111.4
57	E	24.3	Very low	26.1	Very low	181 Å²	181	147.2 Å²	147.2	85%	0.846	81%	0.811	S	S	*	*			trans	42.6	119	143.4	-59.1	-179.7	144.6	0	0	121.7
58	E	26.5	Very low	26	Very low	159 Å²	159	148.3 Å²	148.3	74%	0.743	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-77.5	129.2	159.3	-84.5	-167.7	115.5	0	0	110.9	R61	E58-R61 IonicContact OE1-CZ 2.75Å; E58-R61 IonicContact OE1-NE 3.04Å; E58-R61 IonicContact OE1-NH2 3.79Å; E58-R61 PolarHBondContact OE1-NH2 2.89Å
59	A	25.6	Very low	26	Very low	87 Å²	87	150.3 Å²	150.3	72%	0.719	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.7	146.8	165.1	0	0	0	0	0	111.3	R61	A59-R61 PolarHBondContact O-N 2.83Å
60	P	25.2	Very low	26	Very low	127 Å²	127	154.1 Å²	154.1	83%	0.825	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-70.3	132.6	-163.3	25.9	-35.2	0	0	0	114.2	R62	P60-R62 PolarHBondContact O-N 3.19Å
61	R	25.7	Very low	26.1	Very low	201 Å²	201	152.5 Å²	152.5	76%	0.758	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-68.7	118	171.9	-59.8	178.6	-167.5	-177.7	6	109.4	E58 A59 E63	E58-R61 IonicContact OE1-CZ 2.75Å; E58-R61 IonicContact OE1-NE 3.04Å; E58-R61 IonicContact OE1-NH2 3.79Å; E58-R61 PolarHBondContact OE1-NH2 2.89Å; A59-R61 PolarHBondContact O-N 2.83Å; R61-E63 PolarHBondContact O-N 2.79Å
62	R	25.9	Very low	26.2	Very low	246 Å²	246	153.8 Å²	153.8	93%	0.928	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-63.6	125.6	166.3	-75.2	-176.3	172.9	-179.6	-2.3	109.2	P60 G64	P60-R62 PolarHBondContact O-N 3.19Å; R62-G64 PolarHBondContact O-N 2.9Å; R62-G64 VanDerWaalsContact O-N 3.1Å
63	E	24.9	Very low	26.5	Very low	195 Å²	195	148.8 Å²	148.8	91%	0.911	79%	0.789	S	S	*	*			trans	-63.6	111.5	176	-64.8	-170.6	126.2	0	0	110.5	R61 G65	R61-E63 PolarHBondContact O-N 2.79Å; E63-G65 PolarHBondContact O-N 3.45Å
64	G	25.2	Very low	26.7	Very low	80 Å²	80	141.2 Å²	141.2	83%	0.825	77%	0.766	S	S	*	*			trans	-73.7	103.8	170	0	0	0	0	0	109.6	R62	R62-G64 PolarHBondContact O-N 2.9Å; R62-G64 VanDerWaalsContact O-N 3.1Å
65	G	26.2	Very low	27.4	Very low	59 Å²	59	145.3 Å²	145.3	61%	0.608	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-53.3	153.2	174.3	0	0	0	0	0	112.5	E63	E63-G65 PolarHBondContact O-N 3.45Å
66	P	26.3	Very low	28.1	Very low	124 Å²	124	143.2 Å²	143.2	81%	0.805	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-58	136.4	-171.6	23.5	-34.1	0	0	0	111.5	E68	P66-E68 PolarHBondContact O-N 2.9Å
67	P	26.6	Very low	29.4	Very low	123 Å²	123	139.3 Å²	139.3	80%	0.799	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-63.8	122.3	-169.2	24.1	-34.2	0	0	0	111.6	R69	P67-R69 PolarHBondContact O-N 2.88Å
68	E	25.7	Very low	31.1	Very low	179 Å²	179	133.9 Å²	133.9	84%	0.836	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-53.2	121.8	178.2	-71.4	-165	125.2	0	0	111.5	P66 K70	P66-E68 PolarHBondContact O-N 2.9Å; E68-K70 VanDerWaalsContact C-N 3.3Å; E68-K70 PolarHBondContact O-N 3Å
69	R	25.8	Very low	33.4	Very low	236 Å²	236	127.6 Å²	127.6	89%	0.891	66%	0.657	S	S	*	*			trans	-69.9	86.8	172.9	-75.9	-178.4	170.6	164.3	0.4	110	P67 P71	P67-R69 PolarHBondContact O-N 2.88Å; R69-P71 WeakPolarHBondContact O-CD 3.49Å
70	K	25	Very low	36	Very low	182 Å²	182	128.6 Å²	128.6	79%	0.791	65%	0.651	S	S	*	*			trans	-48.1	122.9	171.6	-69.8	-173.3	178.4	-179.5	0	110	E68	E68-K70 VanDerWaalsContact C-N 3.3Å; E68-K70 PolarHBondContact O-N 3Å
71	P	27.8	Very low	38.7	Very low	80 Å²	80	123.2 Å²	123.2	52%	0.519	62%	0.615	S	S	.	*			trans	-58.2	157.8	-179.1	-28	36	0	0	0	113.3	R69 G73	R69-P71 WeakPolarHBondContact O-CD 3.49Å; P71-G73 VanDerWaalsContact C-N 3.32Å; P71-G73 PolarHBondContact O-N 3.39Å
72	W	27.4	Very low	41.5	Very low	238 Å²	238	116.6 Å²	116.6	90%	0.902	59%	0.59	S	S	*	*			trans	-71.9	80.7	-178	-81.5	43.3	0	0	0	112.2
73	G	30.1	Very low	44.1	Very low	39 Å²	39	107.5 Å²	107.5	40%	0.402	56%	0.564	S	S	.	*			trans	-106.8	131.9	169.1	0	0	0	0	0	112.3	P71 Q75	P71-G73 VanDerWaalsContact C-N 3.32Å; P71-G73 PolarHBondContact O-N 3.39Å; G73-Q75 PolarHBondContact O-N 2.73Å
74	D	36.7	Very low	46.7	Very low	88 Å²	88	105.4 Å²	105.4	47%	0.471	56%	0.563	S	S	.	*			trans	-60.5	122.3	146	-74.5	-53.2	0	0	0	106.5	Y76 Q195	D74-Y76 VanDerWaalsContact C-N 3.35Å; D74-Y76 HydrophobicContact CB-CD2 4.14Å; D74-Y76 HydrophobicContact CB-CE2 3.76Å; D74-Y76 WeakPolarHBondContact O-CD2 3.29Å; D74-Y76 PolarHBondContact O-N 3.36Å; D74-Q195 PolarHBondContact O-NE2 3.23Å
75	Q	37.8	Very low	49.3	Very low	169 Å²	169	110.3 Å²	110.3	79%	0.79	57%	0.565	S	S	*	*			trans	-77.6	91.3	176.2	-169.4	165.8	-1.4	0	0	107.8	G73 D77	G73-Q75 PolarHBondContact O-N 2.73Å; Q75-D77 PolarHBondContact O-N 2.86Å
76	Y	46.9	Very low	51.9	Low	59 Å²	59	109.1 Å²	109.1	23%	0.231	54%	0.544	C	S	.	.			trans	-69.2	77.2	177.3	-72.3	-92.5	0	0	0	109.7	D74 Y78 P191 L194 Q195	D74-Y76 VanDerWaalsContact C-N 3.35Å; D74-Y76 HydrophobicContact CB-CD2 4.14Å; D74-Y76 HydrophobicContact CB-CE2 3.76Å; D74-Y76 WeakPolarHBondContact O-CD2 3.29Å; D74-Y76 PolarHBondContact O-N 3.36Å; Y76-Y78 PolarHBondContact O-N 2.78Å; Y76-P191 WeakPolarHBondContact O-CG 3.31Å; Y76-L194 HydrophobicContact CD1-CD2 3.61Å; Y76-L194 HydrophobicContact CD1-CG 4.41Å; Y76-L194 HydrophobicContact CE1-CD2 3.78Å; Y76-L194 HydrophobicContact CE1-CG 4.26Å; Y76-L194 HydrophobicContact CG-CD2 4.29Å; Y76-Q195 HydrophobicContact CD2-CG 3.61Å; Y76-Q195 HydrophobicContact CE2-CG 3.56Å
77	D	51.1	Low	54.3	Low	73 Å²	73	109.6 Å²	109.6	39%	0.39	55%	0.545	S	S	.	.			trans	-65.9	98.1	177.3	-111.5	-19.4	0	0	0	109.9	Q75 K693	Q75-D77 PolarHBondContact O-N 2.86Å; D77-K693 HydrophobicContact CB-CB 4.46Å; D77-K693 HydrophobicContact CB-CD 3.8Å; D77-K693 WeakPolarHBondContact OD1-CD 3.44Å; D77-K693 IonicContact OD1-NZ 2.72Å; D77-K693 PolarHBondContact OD1-NZ 2.92Å; D77-K693 WeakPolarHBondContact OD2-CD 2.93Å; D77-K693 IonicContact OD2-NZ 2.62Å; D77-K693 PolarHBondContact OD2-NZ 3.09Å; D77-K693 VanDerWaalsContact OD2-NZ 3.09Å
78	Y	61.7	Low	57.1	Low	68 Å²	68	106.3 Å²	106.3	27%	0.267	53%	0.525	S	S	.	.			trans	-78.5	138	177.1	-116.7	-121.9	0	0	0	110	Y76 L194 E755	Y76-Y78 PolarHBondContact O-N 2.78Å; Y78-L194 HydrophobicContact CE2-CD2 4.35Å; Y78-E755 HydrophobicContact CD1-CB 4.19Å; Y78-E755 HydrophobicContact CD1-CG 3.66Å; Y78-E755 HydrophobicContact CE1-CB 3.94Å; Y78-E755 HydrophobicContact CE1-CG 3.42Å; Y78-E755 VanDerWaalsContact CE1-CG 3.42Å; Y78-E755 WeakPolarHBondContact CE1-OE1 3.49Å
79	L	73.2	Confident	60.1	Low	26 Å²	26	98 Å²	98	14%	0.136	49%	0.486	C	S	.	.			trans	-123.2	113.6	169.4	178.5	73.3	0	0	0	106.6	T81 F696	L79-T81 HydrophobicContact CD2-CG2 3.67Å; L79-T81 HydrophobicContact CG-CG2 3.8Å; L79-T81 PolarHBondContact O-N 3.12Å; L79-F696 HydrophobicContact CD1-CB 4.28Å; L79-F696 HydrophobicContact CD1-CD1 3.91Å; L79-F696 HydrophobicContact CD1-CE1 4.43Å; L79-F696 HydrophobicContact CD1-CG 4.07Å; L79-F696 HydrophobicContact CD2-CB 3.56Å; L79-F696 HydrophobicContact CD2-CD2 4.18Å; L79-F696 HydrophobicContact CD2-CG 3.86Å
80	N	81.6	Confident	63.3	Low	109 Å²	109	91 Å²	91	58%	0.583	46%	0.462	S	S	*	.			trans	-74.7	119.6	169.1	-175.7	7.3	0	0	0	108.2	R82 E755	N80-R82 PolarHBondContact OD1-N 3.22Å; N80-E755 CarbonylContact C-O 3.53Å; N80-E755 WeakPolarHBondContact CA-O 3.27Å; N80-E755 HydrophobicContact CB-CB 4.44Å; N80-E755 PolarHBondContact OD1-O 3.31Å
81	T	81.6	Confident	66.4	Low	13 Å²	13	82.7 Å²	82.7	8%	0.08	43%	0.428	C	S	.	.			trans	-116.1	-2.6	178.9	72.1	0	0	0	0	112.9	L79 P83 E755 R756 Y757 N777 V778 L779	L79-T81 HydrophobicContact CD2-CG2 3.67Å; L79-T81 HydrophobicContact CG-CG2 3.8Å; L79-T81 PolarHBondContact O-N 3.12Å; T81-P83 VanDerWaalsContact O-CD 3.32Å; T81-P83 WeakPolarHBondContact O-CD 3.43Å; T81-E755 PolarHBondContact N-O 3.45Å; T81-R756 WeakPolarHBondContact OG1-CA 3.42Å; T81-Y757 PolarHBondContact OG1-N 2.93Å; T81-N777 PolarHBondContact OG1-OD1 3.36Å; T81-N777 VanDerWaalsContact OG1-OD1 3.07Å; T81-V778 VanDerWaalsContact CB-O 3.32Å; T81-V778 WeakPolarHBondContact CB-O 3.47Å; T81-V778 PolarHBondContact OG1-O 3.04Å; T81-L779 HydrophobicContact CG2-CB 4.5Å; T81-L779 HydrophobicContact CG2-CD2 3.76Å
82	R	83.9	Confident	69.4	Low	62 Å²	62	84.3 Å²	84.3	23%	0.234	44%	0.437	C	S	.	.	S	Bend	trans	-76.1	117.6	172.3	-171.9	173.1	-174.6	154.8	-3.1	108.8	N80 L86 V87 E245 P754 E755	N80-R82 PolarHBondContact OD1-N 3.22Å; R82-L86 HydrophobicContact CG-CB 4.49Å; R82-L86 PolarHBondContact NE-O 2.81Å; R82-V87 PolarHBondContact NH2-O 2.87Å; R82-E245 IonicContact NH1-OE2 3.06Å; R82-E245 PolarHBondContact NH1-OE2 3.03Å; R82-P754 VanDerWaalsContact CD-O 3.27Å; R82-P754 WeakPolarHBondContact CD-O 3.46Å; R82-P754 PolarHBondContact NH1-O 3.23Å; R82-E755 PolarHBondContact N-O 3.5Å; R82-E755 VanDerWaalsContact N-O 3.15Å
83	P	81.3	Confident	72.3	Confident	56 Å²	56	75.6 Å²	75.6	36%	0.364	41%	0.407	S	S	.	.			trans	-59.8	143.7	172.7	-20.5	32.7	0	0	0	110.3	T81 E85 L86	T81-P83 VanDerWaalsContact O-CD 3.32Å; T81-P83 WeakPolarHBondContact O-CD 3.43Å; P83-E85 PolarHBondContact O-N 3.05Å; P83-L86 HydrophobicContact CB-CB 4.1Å; P83-L86 HydrophobicContact CG-CB 4.2Å; P83-L86 WeakPolarHBondContact O-CB 3.33Å; P83-L86 PolarHBondContact O-N 3.47Å
84	V	78.3	Confident	75.3	Confident	150 Å²	150	75.6 Å²	75.6	91%	0.909	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-35.7	179.3	-178.1	0	0	0	0	111.2	L86	V84-L86 VanDerWaalsContact C-N 3.26Å; V84-L86 PolarHBondContact O-N 2.94Å
85	E	79.8	Confident	78.2	Confident	183 Å²	183	76 Å²	76	86%	0.855	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-17.6	174.9	-64.6	158.9	-144.3	0	0	113.8	P83 V87	P83-E85 PolarHBondContact O-N 3.05Å; E85-V87 VanDerWaalsContact C-N 3.31Å; E85-V87 PolarHBondContact O-N 2.87Å
86	L	80.8	Confident	81	Confident	34 Å²	34	71.8 Å²	71.8	18%	0.178	40%	0.401	C	S	.	.			trans	-84.6	74.2	-175.9	-168.6	68.3	0	0	0	111.4	R82 P83 V84 S88 K89 Y757 P787	R82-L86 HydrophobicContact CG-CB 4.49Å; R82-L86 PolarHBondContact NE-O 2.81Å; P83-L86 HydrophobicContact CB-CB 4.1Å; P83-L86 HydrophobicContact CG-CB 4.2Å; P83-L86 WeakPolarHBondContact O-CB 3.33Å; P83-L86 PolarHBondContact O-N 3.47Å; V84-L86 VanDerWaalsContact C-N 3.26Å; V84-L86 PolarHBondContact O-N 2.94Å; L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 WeakPolarHBondContact CD1-O 3.3Å; L86-S88 PolarHBondContact O-N 2.92Å; L86-K89 HydrophobicContact CD2-CB 4.1Å; L86-Y757 HydrophobicContact CD2-CD1 3.65Å; L86-Y757 HydrophobicContact CD2-CD2 3.72Å; L86-Y757 HydrophobicContact CD2-CE1 4.06Å; L86-Y757 HydrophobicContact CD2-CE2 4.13Å; L86-Y757 HydrophobicContact CD2-CG 3.48Å; L86-Y757 VanDerWaalsContact CD2-CG 3.48Å; L86-P787 HydrophobicContact CD1-CG 4.26Å
87	V	76.5	Confident	83.4	Confident	134 Å²	134	70.1 Å²	70.1	81%	0.812	40%	0.396	S	S	*	.	S	Bend	trans	-46.9	-50	176.3	-176.7	0	0	0	0	111.1	R82 E85	R82-V87 PolarHBondContact NH2-O 2.87Å; E85-V87 VanDerWaalsContact C-N 3.31Å; E85-V87 PolarHBondContact O-N 2.87Å
88	S	85.4	Confident	85.6	Confident	55 Å²	55	71.3 Å²	71.3	39%	0.385	40%	0.401	S	S	.	.			trans	-130.8	135.8	177.4	-178.8	0	0	0	0	111.4	L86 K90	L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 WeakPolarHBondContact CD1-O 3.3Å; L86-S88 PolarHBondContact O-N 2.92Å; S88-K90 WeakPolarHBondContact OG-CB 3.3Å; S88-K90 PolarHBondContact OG-N 3.27Å; S88-K90 VanDerWaalsContact OG-N 3.11Å
89	K	90.1	Very high	87.2	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.017	39%	0.388	C	S	.	.			trans	-95.4	1.8	168.1	66.7	-175.1	175.2	-172.8	0	113.5	L86 E245 T752 L753 R756 Y757 D758 P787	L86-K89 HydrophobicContact CD2-CB 4.1Å; K89-E245 WeakPolarHBondContact CE-OE1 3.46Å; K89-E245 IonicContact NZ-OE1 2.76Å; K89-E245 PolarHBondContact NZ-OE1 2.92Å; K89-E245 IonicContact NZ-OE2 3.13Å; K89-T752 WeakPolarHBondContact CE-OG1 3Å; K89-L753 PolarHBondContact NZ-O 3.42Å; K89-R756 VanDerWaalsContact CD-O 3.28Å; K89-R756 WeakPolarHBondContact CD-O 3.17Å; K89-R756 PolarHBondContact NZ-O 2.82Å; K89-Y757 HydrophobicContact CB-CD2 3.93Å; K89-Y757 HydrophobicContact CB-CE2 4.29Å; K89-D758 IonicContact NZ-OD1 2.67Å; K89-D758 PolarHBondContact NZ-OD1 3.01Å; K89-P787 WeakPolarHBondContact O-CB 3.4Å
90	K	92.6	Very high	88.1	Confident	89 Å²	89	69.3 Å²	69.3	39%	0.387	39%	0.393	S	S	.	.			trans	-75.5	128.9	177.3	-48.9	-171.8	-156.2	-168.4	0	110.3	S88 D748 D749	S88-K90 WeakPolarHBondContact OG-CB 3.3Å; S88-K90 PolarHBondContact OG-N 3.27Å; S88-K90 VanDerWaalsContact OG-N 3.11Å; K90-D748 VanDerWaalsContact CA-OD2 3.31Å; K90-D748 WeakPolarHBondContact CA-OD2 3.38Å; K90-D749 HydrophobicContact CD-CB 4.03Å; K90-D749 VanDerWaalsContact CE-OD2 3.24Å; K90-D749 WeakPolarHBondContact CE-OD2 3.41Å; K90-D749 HydrophobicContact CG-CB 4.26Å; K90-D749 IonicContact NZ-OD1 3.88Å; K90-D749 IonicContact NZ-OD2 3.47Å; K90-D749 PolarHBondContact NZ-OD2 3.07Å
91	G	90.6	Very high	88.7	Confident	7 Å²	7	64.1 Å²	64.1	7%	0.072	37%	0.366	C	S	.	.			trans	-79.9	161.7	166.4	0	0	0	0	0	112.5	R436 D748	G91-R436 VanDerWaalsContact O-CZ 3.29Å; G91-R436 PolarHBondContact O-NE 3.19Å; G91-D748 PolarHBondContact N-OD2 2.82Å
92	T	90.4	Very high	89.4	Confident	115 Å²	115	63.5 Å²	63.5	71%	0.706	36%	0.362	S	S	*	.			trans	-108.2	-29.2	179.6	62.5	0	0	0	0	113.9	E788	T92-E788 PolarHBondContact N-OE2 2.86Å; T92-E788 PolarHBondContact OG1-OE2 2.94Å
93	D	88.2	Confident	89.9	Confident	54 Å²	54	61 Å²	61	29%	0.289	35%	0.352	S	S	.	.			trans	-53.1	142.7	178.8	-86.3	-40	0	0	0	114.2	R436 E788 K792	D93-R436 WeakPolarHBondContact O-CD 3.47Å; D93-R436 PolarHBondContact O-NH1 2.77Å; D93-E788 HydrophobicContact CB-CB 4.05Å; D93-E788 HydrophobicContact CB-CG 4.24Å; D93-E788 WeakPolarHBondContact OD2-CG 3.39Å; D93-K792 IonicContact OD1-NZ 3.93Å; D93-K792 PolarHBondContact OD1-NZ 3.07Å; D93-K792 WeakPolarHBondContact OD2-CE 3.45Å; D93-K792 IonicContact OD2-NZ 2.63Å; D93-K792 PolarHBondContact OD2-NZ 3.33Å
94	G	93.6	Very high	90.5	Very high	40 Å²	40	58.3 Å²	58.3	41%	0.412	34%	0.335	S	S	.	.	S	Bend	trans	95.7	178.1	163.4	0	0	0	0	0	115	I437	G94-I437 WeakPolarHBondContact CA-O 3.44Å
95	V	96.9	Very high	91.2	Very high	95 Å²	95	55.9 Å²	55.9	58%	0.576	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.8	-172.8	-177.4	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 3.44Å; V95-I437 PolarHBondContact N-O 2.68Å; V95-I437 PolarHBondContact O-N 2.99Å
96	P	96.8	Very high	91.8	Very high	82 Å²	82	47.3 Å²	47.3	53%	0.532	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142.1	177.9	29.3	-34.7	0	0	0	111.4	G435	P96-G435 WeakPolarHBondContact CA-O 3.32Å
97	V	96.8	Very high	92.3	Very high	23 Å²	23	49.7 Å²	49.7	14%	0.139	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.4	178.5	-71.2	0	0	0	0	111	L99 G435 I437 L736	V97-L99 HydrophobicContact CG2-CD1 4.24Å; V97-L99 HydrophobicContact CG2-CD2 4.15Å; V97-L99 HydrophobicContact CG2-CG 4.07Å; V97-G435 PolarHBondContact N-O 2.84Å; V97-G435 PolarHBondContact O-N 2.85Å; V97-I437 HydrophobicContact CG1-CD1 3.66Å; V97-I437 HydrophobicContact CG1-CG1 4.13Å; V97-I437 HydrophobicContact CG2-CD1 4.34Å; V97-I437 HydrophobicContact CG2-CG1 4.05Å; V97-L736 HydrophobicContact CB-CD1 4.01Å; V97-L736 HydrophobicContact CG1-CD1 4.31Å
98	M	96.8	Very high	92.9	Very high	99 Å²	99	46 Å²	46	49%	0.488	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.6	170.5	-162.7	57.1	63.7	0	0	110	E432 V433 Q434 L736	M98-E432 HydrophobicContact CG-CB 4.09Å; M98-E432 HydrophobicContact SD-CB 3.99Å; M98-V433 VanDerWaalsContact SD-C 3.5Å; M98-Q434 HydrophobicContact CE-CB 4.32Å; M98-L736 WeakPolarHBondContact O-CD1 3.47Å
99	L	95.8	Very high	92.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.7	-173.3	-63.2	167.4	0	0	0	110.7	V97 E432 V433 F734 F735 L736 P741 T745 V747	V97-L99 HydrophobicContact CG2-CD1 4.24Å; V97-L99 HydrophobicContact CG2-CD2 4.15Å; V97-L99 HydrophobicContact CG2-CG 4.07Å; L99-E432 CarbonylContact O-C 3.35Å; L99-E432 WeakPolarHBondContact O-CA 3.4Å; L99-V433 WeakPolarHBondContact CB-O 3.28Å; L99-V433 PolarHBondContact N-O 2.84Å; L99-V433 PolarHBondContact O-N 3.45Å; L99-F734 HydrophobicContact CB-CB 4.33Å; L99-F734 HydrophobicContact CD1-CD2 3.94Å; L99-F734 HydrophobicContact CD1-CE2 4.37Å; L99-F735 WeakPolarHBondContact CA-O 3.39Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4.02Å; L99-L736 HydrophobicContact CD2-CG 4.47Å; L99-P741 HydrophobicContact CD2-CG 4.47Å; L99-T745 HydrophobicContact CD1-CG2 3.67Å; L99-T745 HydrophobicContact CD2-CG2 4.23Å; L99-V747 HydrophobicContact CD1-CG2 3.52Å
100	Q	93.6	Very high	92.2	Very high	51 Å²	51	55.8 Å²	55.8	24%	0.238	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.8	170.5	-75.9	172.4	-5.2	0	0	109	E432 F734 F735	Q100-E432 HydrophobicContact CG-CG 3.94Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.31Å; Q100-E432 PolarHBondContact NE2-OE1 3.1Å; Q100-F734 CarbonylContact O-C 3.48Å; Q100-F734 WeakPolarHBondContact O-CA 3.2Å; Q100-F735 PolarHBondContact N-O 3.21Å; Q100-F735 VanDerWaalsContact O-CD2 3.27Å; Q100-F735 WeakPolarHBondContact O-CD2 3.24Å; Q100-F735 PolarHBondContact O-N 3.01Å
101	T	94.1	Very high	91.6	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-159.3	-176.4	67.8	0	0	0	0	112.5	F103 V430 T431 V433 R733 F734 F735 I751	T101-F103 PolarHBondContact OG1-N 2.69Å; T101-V430 WeakPolarHBondContact O-CG1 3.43Å; T101-T431 WeakPolarHBondContact CB-O 3.39Å; T101-T431 WeakPolarHBondContact CG2-O 3.47Å; T101-T431 PolarHBondContact N-O 3.32Å; T101-T431 VanDerWaalsContact N-O 3.15Å; T101-T431 PolarHBondContact OG1-O 3.46Å; T101-V433 HydrophobicContact CG2-CB 4.19Å; T101-V433 HydrophobicContact CG2-CG2 3.52Å; T101-R733 CarbonylContact C-O 3.57Å; T101-R733 WeakPolarHBondContact CA-O 3.4Å; T101-F734 HydrophobicContact CG2-CB 4.39Å; T101-F735 WeakPolarHBondContact O-CE2 3.4Å; T101-I751 HydrophobicContact CG2-CD1 4.03Å; T101-I751 HydrophobicContact CG2-CG2 4.06Å
102	N	94.8	Very high	91.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-119.3	27.9	159.4	68.9	-42.5	0	0	0	112.4	T252 L402 N731 R733	N102-T252 WeakPolarHBondContact CB-O 3.33Å; N102-T252 PolarHBondContact ND2-O 2.81Å; N102-T252 PolarHBondContact O-N 2.66Å; N102-L402 HydrophobicContact CB-CD1 3.66Å; N102-N731 PolarHBondContact ND2-O 3.46Å; N102-R733 HydrophobicContact CB-CB 4.02Å; N102-R733 PolarHBondContact N-O 3.08Å; N102-R733 PolarHBondContact OD1-N 3.32Å; N102-R733 PolarHBondContact OD1-O 3.4Å
103	F	94.5	Very high	91.2	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.035	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	148.2	176.2	-69.1	-104.7	0	0	0	110.2	T101 H244 L249 L250 T431 T732 I751	T101-F103 PolarHBondContact OG1-N 2.69Å; F103-H244 AromaticContact CE1-CE1 3.81Å; F103-H244 AromaticContact CE1-NE2 3.55Å; F103-L249 HydrophobicContact CB-CB 4.25Å; F103-L249 HydrophobicContact CB-CD1 4.2Å; F103-L249 HydrophobicContact CD1-CB 3.73Å; F103-L249 HydrophobicContact CD1-CD1 4.14Å; F103-L249 HydrophobicContact CG-CB 4.42Å; F103-L249 HydrophobicContact CG-CD1 4.36Å; F103-L250 WeakPolarHBondContact CA-O 3.25Å; F103-T431 PolarHBondContact O-N 3.05Å; F103-T431 PolarHBondContact O-OG1 3.27Å; F103-T732 HydrophobicContact CE2-CG2 3.97Å; F103-T732 HydrophobicContact CZ-CG2 4.47Å; F103-I751 HydrophobicContact CB-CG2 4.36Å; F103-I751 HydrophobicContact CD1-CG2 4.43Å; F103-I751 HydrophobicContact CD2-CB 4.4Å; F103-I751 HydrophobicContact CD2-CG2 3.7Å; F103-I751 HydrophobicContact CE2-CB 4.26Å; F103-I751 HydrophobicContact CE2-CG2 4.06Å; F103-I751 HydrophobicContact CG-CG2 3.91Å
104	F	94.2	Very high	91.3	Very high	1 Å²	1	59.2 Å²	59.2	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.4	170	-58.2	-83.2	0	0	0	108.1	L249 L250 L402 N406 L426 V430	F104-L249 WeakPolarHBondContact O-CA 3.42Å; F104-L250 PolarHBondContact N-O 2.92Å; F104-L250 PolarHBondContact O-N 2.87Å; F104-L402 HydrophobicContact CZ-CB 4.32Å; F104-N406 HydrophobicContact CD1-CB 4.38Å; F104-N406 VanDerWaalsContact CD1-ND2 3.27Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.42Å; F104-N406 HydrophobicContact CE1-CB 3.81Å; F104-N406 VanDerWaalsContact CE1-ND2 3.28Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.47Å; F104-N406 HydrophobicContact CE2-CB 4.35Å; F104-N406 HydrophobicContact CZ-CB 3.8Å; F104-L426 HydrophobicContact CB-CD1 3.5Å; F104-L426 VanDerWaalsContact CB-CD1 3.5Å; F104-L426 HydrophobicContact CG-CD1 4.33Å; F104-V430 HydrophobicContact CD1-CG2 4.36Å; F104-V430 HydrophobicContact CE1-CB 4.48Å; F104-V430 HydrophobicContact CE1-CG2 3.6Å; F104-V430 HydrophobicContact CZ-CG2 4Å
105	R	93.8	Very high	91.2	Very high	98 Å²	98	57.4 Å²	57.4	37%	0.37	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137	177.2	-172.7	-176.6	-170.2	-177.4	7.2	110.1	D247 L249 D427 T431	R105-D247 HydrophobicContact CG-CB 4.22Å; R105-D247 IonicContact CZ-OD1 3.21Å; R105-D247 IonicContact CZ-OD2 2.77Å; R105-D247 IonicContact NE-OD1 3.87Å; R105-D247 PolarHBondContact NE-OD1 3.23Å; R105-D247 IonicContact NE-OD2 3.54Å; R105-D247 IonicContact NH2-OD1 2.71Å; R105-D247 PolarHBondContact NH2-OD1 2.8Å; R105-D247 IonicContact NH2-OD2 3.57Å; R105-D247 PolarHBondContact NH2-OD2 2.91Å; R105-L249 HydrophobicContact CB-CD2 4.04Å; R105-L249 HydrophobicContact CG-CD2 4.23Å; R105-D427 HydrophobicContact CB-CB 4.16Å; R105-D427 PolarHBondContact O-N 2.89Å; R105-T431 PolarHBondContact N-OG1 2.84Å
106	L	92.4	Very high	91.1	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	107.5	160.7	-102.2	69	0	0	0	108.1	I241 I248 L250 M424 E425 L426	L106-I241 HydrophobicContact CD2-CD1 3.71Å; L106-I248 HydrophobicContact CB-CB 4.21Å; L106-I248 HydrophobicContact CB-CG2 4.06Å; L106-I248 PolarHBondContact N-O 2.8Å; L106-L250 HydrophobicContact CD1-CB 3.94Å; L106-M424 HydrophobicContact CB-CE 4.37Å; L106-M424 HydrophobicContact CD2-CB 4.3Å; L106-M424 HydrophobicContact CD2-CE 3.7Å; L106-M424 HydrophobicContact CD2-SD 3.94Å; L106-E425 CarbonylContact C-O 3.51Å; L106-E425 WeakPolarHBondContact CA-O 3.45Å; L106-L426 HydrophobicContact CD1-CB 4.47Å; L106-L426 HydrophobicContact CD1-CD1 3.6Å
107	K	91.5	Very high	90.9	Very high	84 Å²	84	49.6 Å²	49.6	37%	0.365	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.1	168.7	-74.9	166.6	168.3	161.1	0	109.1	M424 E425 D427	K107-M424 CarbonylContact O-C 3.56Å; K107-M424 WeakPolarHBondContact O-CA 3.4Å; K107-E425 HydrophobicContact CB-CB 4.34Å; K107-E425 PolarHBondContact N-O 2.7Å; K107-E425 PolarHBondContact O-N 3.32Å; K107-D427 VanDerWaalsContact CE-OD1 3.24Å; K107-D427 WeakPolarHBondContact CE-OD1 3.28Å; K107-D427 WeakPolarHBondContact CE-OD2 3.43Å; K107-D427 IonicContact NZ-OD1 3.69Å; K107-D427 PolarHBondContact NZ-OD1 3Å; K107-D427 IonicContact NZ-OD2 3.98Å
108	T	88.1	Confident	90.8	Very high	57 Å²	57	50.9 Å²	50.9	35%	0.35	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	171	174.3	54.8	0	0	0	0	109.2	W112 I248 M424	T108-W112 HydrophobicContact CG2-CB 4.34Å; T108-W112 HydrophobicContact CG2-CD2 3.8Å; T108-W112 HydrophobicContact CG2-CE3 4.13Å; T108-W112 HydrophobicContact CG2-CG 3.91Å; T108-I248 HydrophobicContact CG2-CD1 4.22Å; T108-M424 HydrophobicContact CG2-CE 3.6Å; T108-M424 HydrophobicContact CG2-CG 4.29Å
109	K	83.6	Confident	90.6	Very high	123 Å²	123	46.1 Å²	46.1	54%	0.535	22%	0.218	S	C	.	.			trans	-64.7	151.2	167.5	-70.8	177.1	170.5	171.5	0	110.2	E111 W112 N423	K109-E111 VanDerWaalsContact C-N 3.29Å; K109-E111 PolarHBondContact O-N 2.63Å; K109-W112 HydrophobicContact CB-CB 4.48Å; K109-W112 WeakPolarHBondContact O-CB 3.37Å; K109-W112 PolarHBondContact O-N 2.67Å; K109-N423 HydrophobicContact CD-CB 4.21Å; K109-N423 VanDerWaalsContact CE-OD1 3.25Å; K109-N423 WeakPolarHBondContact CE-OD1 3.44Å; K109-N423 PolarHBondContact NZ-OD1 2.72Å
110	P	77.3	Confident	90.5	Very high	141 Å²	141	49.6 Å²	49.6	92%	0.916	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-41.2	-176.7	-29.1	36.2	0	0	0	114.4
111	E	79.4	Confident	90.5	Very high	183 Å²	183	47.7 Å²	47.7	86%	0.855	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	32.2	177.8	-57.5	-166.8	144	0	0	113.1	K109 R113	K109-E111 VanDerWaalsContact C-N 3.29Å; K109-E111 PolarHBondContact O-N 2.63Å; E111-R113 PolarHBondContact O-N 3.48Å
112	W	86.9	Confident	90.4	Very high	26 Å²	26	52.4 Å²	52.4	10%	0.098	25%	0.254	C	S	.	.			trans	-66.9	118.2	-179.1	-172.4	92.6	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 3.8Å; T108-W112 HydrophobicContact CG2-CE3 4.13Å; T108-W112 HydrophobicContact CG2-CG 3.91Å; K109-W112 HydrophobicContact CB-CB 4.48Å; K109-W112 WeakPolarHBondContact O-CB 3.37Å; K109-W112 PolarHBondContact O-N 2.67Å; W112-I114 HydrophobicContact CH2-CD1 3.75Å; W112-I114 HydrophobicContact CH2-CG1 3.61Å; W112-I114 HydrophobicContact CZ2-CG1 4.15Å; W112-I114 HydrophobicContact CZ3-CD1 4.11Å; W112-I114 HydrophobicContact CZ3-CG1 3.91Å; W112-T156 HydrophobicContact CZ2-CG2 4.39Å; W112-F193 AromaticContact CZ3-CE2 3.78Å; W112-F193 HydrophobicContact CZ3-CE2 3.78Å; 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 4.31Å; W112-I248 HydrophobicContact CH2-CD1 4.36Å; W112-I248 HydrophobicContact CZ3-CD1 3.81Å; W112-W422 HydrophobicContact CZ2-CE3 4.33Å; W112-W422 PolarHBondContact NE1-O 2.96Å; W112-M424 HydrophobicContact CH2-CE 3.69Å; W112-M424 HydrophobicContact CH2-SD 4.23Å; W112-M424 HydrophobicContact CZ2-CE 3.65Å; W112-M424 HydrophobicContact CZ2-CG 4.1Å; W112-M424 HydrophobicContact CZ2-SD 3.75Å; W112-M424 HydrophobicContact CZ3-CE 4.31Å
113	R	87.2	Confident	90.1	Very high	127 Å²	127	55.5 Å²	55.5	48%	0.479	27%	0.274	S	S	.	.			trans	-131.8	144.8	178	-59.5	-70.1	-77.7	-84.9	-1	109.1	E111 F185	E111-R113 PolarHBondContact O-N 3.48Å; R113-F185 HydrophobicContact CB-CD1 4.03Å
114	I	90.3	Very high	89.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.2	168.5	-55.1	165.3	0	0	0	107.6	W112 F154 I186 F193 V196 W422	W112-I114 HydrophobicContact CH2-CD1 3.75Å; W112-I114 HydrophobicContact CH2-CG1 3.61Å; W112-I114 HydrophobicContact CZ2-CG1 4.15Å; W112-I114 HydrophobicContact CZ3-CD1 4.11Å; W112-I114 HydrophobicContact CZ3-CG1 3.91Å; I114-F154 HydrophobicContact CG2-CB 4.14Å; I114-I186 HydrophobicContact CB-CB 4.37Å; I114-I186 HydrophobicContact CB-CD1 4.38Å; I114-I186 HydrophobicContact CG2-CD1 3.87Å; I114-I186 HydrophobicContact CG2-CG1 4.47Å; I114-I186 PolarHBondContact O-N 2.7Å; I114-F193 HydrophobicContact CD1-CD2 3.66Å; I114-F193 HydrophobicContact CD1-CE2 3.84Å; I114-F193 HydrophobicContact CD1-CG 4.45Å; I114-F193 HydrophobicContact CG1-CD2 4.49Å; I114-F193 HydrophobicContact CG1-CE2 4.39Å; I114-V196 HydrophobicContact CD1-CB 4.05Å; I114-V196 HydrophobicContact CD1-CG1 3.68Å; I114-V196 HydrophobicContact CG1-CG1 4.49Å; I114-V196 HydrophobicContact CG2-CG1 4.28Å; I114-W422 HydrophobicContact CG1-CZ3 4.48Å; I114-W422 HydrophobicContact CG2-CZ3 4.34Å
115	V	91.5	Very high	89.5	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.8	176.6	-159.4	0	0	0	0	109.1	Y117 F154 T155 K158 F182 F185	V115-Y117 HydrophobicContact CB-CD2 4.42Å; V115-Y117 HydrophobicContact CB-CE2 3.79Å; V115-Y117 HydrophobicContact CG1-CD2 4.1Å; V115-Y117 HydrophobicContact CG1-CE2 3.33Å; V115-F154 WeakPolarHBondContact O-CA 3.33Å; V115-T155 PolarHBondContact N-O 2.75Å; V115-T155 PolarHBondContact O-N 2.84Å; V115-K158 HydrophobicContact CG1-CG 4.48Å; V115-K158 HydrophobicContact CG2-CB 4.33Å; V115-F182 HydrophobicContact CG1-CD2 3.96Å; V115-F182 HydrophobicContact CG1-CE2 3.62Å; V115-F185 HydrophobicContact CG1-CD1 4.46Å; V115-F185 HydrophobicContact CG2-CD1 4.1Å; V115-F185 HydrophobicContact CG2-CE1 4.06Å
116	H	92.9	Very high	89.1	Confident	13 Å²	13	66 Å²	66	6%	0.06	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.4	179.2	178.7	-155.7	0	0	0	110.2	Q152 F154 V183 G184 I186	H116-Q152 PolarHBondContact NE2-OE1 3.11Å; H116-F154 HydrophobicContact CB-CD1 4.04Å; H116-F154 HydrophobicContact CB-CE1 4.03Å; H116-F154 AromaticContact CD2-CD1 3.82Å; H116-F154 AromaticContact CD2-CE1 3.32Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.4Å; H116-F154 AromaticContact CG-CE1 3.57Å; H116-F154 AromaticContact NE2-CE1 3.9Å; H116-V183 HydrophobicContact CB-CB 4.46Å; H116-V183 WeakPolarHBondContact O-CB 3.41Å; H116-V183 PolarHBondContact O-N 2.81Å; H116-G184 PolarHBondContact N-O 2.8Å; H116-G184 PolarHBondContact O-N 2.9Å; H116-I186 HydrophobicContact CB-CD1 4.37Å; H116-I186 HydrophobicContact CB-CG1 4.1Å
117	Y	93	Very high	88.8	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.2	178	-70.3	-85	0	0	0	111.3	V115 L153 T155 K158 F159 I180 K181 F182	V115-Y117 HydrophobicContact CB-CD2 4.42Å; V115-Y117 HydrophobicContact CB-CE2 3.79Å; V115-Y117 HydrophobicContact CG1-CD2 4.1Å; V115-Y117 HydrophobicContact CG1-CE2 3.33Å; Y117-L153 HydrophobicContact CG-CD2 4.44Å; Y117-L153 PolarHBondContact N-O 2.88Å; Y117-L153 PolarHBondContact O-N 3.06Å; Y117-T155 HydrophobicContact CD2-CG2 4.06Å; Y117-T155 HydrophobicContact CE2-CG2 3.99Å; Y117-K158 WeakPolarHBondContact OH-CA 3.23Å; Y117-F159 HydrophobicContact CD1-CD2 4.18Å; Y117-F159 HydrophobicContact CD2-CE2 4.42Å; Y117-F159 AromaticContact CE1-CD2 3.58Å; Y117-F159 HydrophobicContact CE1-CD2 3.58Å; Y117-F159 HydrophobicContact CE1-CE2 4.28Å; Y117-F159 AromaticContact CE2-CD2 3.96Å; Y117-F159 HydrophobicContact CE2-CD2 3.96Å; Y117-F159 HydrophobicContact CE2-CE2 4.12Å; Y117-F159 AromaticContact CZ-CD2 3.47Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.47Å; Y117-F159 PolarHBondContact OH-N 2.87Å; Y117-I180 HydrophobicContact CD1-CG2 3.68Å; Y117-I180 HydrophobicContact CG-CG2 3.88Å; Y117-K181 CarbonylContact C-O 3.59Å; Y117-K181 VanDerWaalsContact CA-O 3.25Å; Y117-K181 WeakPolarHBondContact CA-O 3.19Å; Y117-K181 WeakPolarHBondContact CD1-O 3.26Å; Y117-F182 VanDerWaalsContact CD1-CA 3.49Å; Y117-F182 HydrophobicContact CD1-CB 4.16Å; Y117-F182 HydrophobicContact CE1-CB 3.76Å; Y117-F182 AromaticContact CE1-CD2 3.8Å; Y117-F182 HydrophobicContact CE1-CD2 3.8Å; Y117-F182 HydrophobicContact CE1-CG 4.28Å; Y117-F182 AromaticContact CZ-CD2 3.86Å
118	H	94.1	Very high	88.5	Confident	49 Å²	49	68.6 Å²	68.6	23%	0.227	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.2	167.4	-165.1	76.7	0	0	0	109.6	E120 L151 I180 K181 V183	H118-E120 IonicContact CD2-OE1 3.36Å; H118-E120 PolarHBondContact CD2-OE1 3.13Å; H118-E120 IonicContact NE2-OE1 3.88Å; H118-L151 VanDerWaalsContact CE1-CD1 3.46Å; H118-L151 WeakPolarHBondContact CE1-CD1 3.42Å; H118-L151 VanDerWaalsContact CE1-CG 3.44Å; H118-L151 WeakPolarHBondContact CE1-CG 3.45Å; H118-I180 CarbonylContact O-C 3.58Å; H118-I180 WeakPolarHBondContact O-CA 3.47Å; H118-K181 HydrophobicContact CB-CB 4.46Å; H118-K181 PolarHBondContact N-O 2.85Å; H118-K181 PolarHBondContact O-N 3.36Å; H118-V183 HydrophobicContact CB-CG2 3.88Å
119	V	93.8	Very high	88.4	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	115.2	-174.5	-168.3	0	0	0	0	111.9	F121 L135 F148 L151 L153 I178 S179 I180	V119-F121 HydrophobicContact CB-CE2 4.31Å; V119-F121 HydrophobicContact CG1-CD2 4.39Å; V119-F121 HydrophobicContact CG1-CE2 3.57Å; V119-F121 HydrophobicContact CG1-CZ 3.76Å; V119-L135 HydrophobicContact CG1-CD1 4.33Å; V119-F148 HydrophobicContact CB-CE2 3.65Å; V119-F148 HydrophobicContact CB-CZ 4.01Å; V119-F148 HydrophobicContact CG1-CE2 4.23Å; V119-F148 HydrophobicContact CG1-CZ 4.16Å; V119-F148 HydrophobicContact CG2-CD2 4.19Å; V119-F148 HydrophobicContact CG2-CE2 3.64Å; V119-F148 HydrophobicContact CG2-CZ 4.38Å; V119-L151 PolarHBondContact N-O 2.85Å; V119-L153 HydrophobicContact CG2-CB 3.56Å; V119-L153 HydrophobicContact CG2-CD2 4.05Å; V119-L153 HydrophobicContact CG2-CG 4.44Å; V119-I178 HydrophobicContact CG1-CG2 3.38Å; V119-S179 WeakPolarHBondContact CA-O 3.47Å; V119-I180 HydrophobicContact CG1-CG1 4.24Å; V119-I180 HydrophobicContact CG2-CG1 4.44Å
120	E	93.6	Very high	88.6	Confident	73 Å²	73	73.2 Å²	73.2	34%	0.341	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	155.3	174.8	-73.3	157.9	-145.2	0	0	111.1	H118 I178 S179 K181	H118-E120 IonicContact CD2-OE1 3.36Å; H118-E120 PolarHBondContact CD2-OE1 3.13Å; H118-E120 IonicContact NE2-OE1 3.88Å; E120-I178 WeakPolarHBondContact O-CA 3.35Å; E120-S179 PolarHBondContact N-O 3.11Å; E120-S179 PolarHBondContact O-N 2.81Å; E120-K181 WeakPolarHBondContact OE1-CE 3.45Å; E120-K181 IonicContact OE1-NZ 2.67Å; E120-K181 PolarHBondContact OE1-NZ 3.41Å; E120-K181 WeakPolarHBondContact OE2-CE 3.3Å; E120-K181 IonicContact OE2-NZ 2.66Å; E120-K181 PolarHBondContact OE2-NZ 2.53Å
121	F	92.9	Very high	89.2	Confident	11 Å²	11	68.6 Å²	68.6	5%	0.048	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	132.7	-179.3	-63.3	-103.3	0	0	0	109.5	V119 P123 I125 R131 I134 L135 F148 K177 I178	V119-F121 HydrophobicContact CB-CE2 4.31Å; V119-F121 HydrophobicContact CG1-CD2 4.39Å; V119-F121 HydrophobicContact CG1-CE2 3.57Å; V119-F121 HydrophobicContact CG1-CZ 3.76Å; F121-P123 CarbonylContact C-O 3.51Å; F121-P123 CarbonylContact O-C 3.49Å; F121-I125 HydrophobicContact CD1-CD1 4.45Å; F121-R131 HydrophobicContact CD2-CB 4.25Å; F121-R131 HydrophobicContact CD2-CG 3.84Å; F121-R131 HydrophobicContact CE1-CB 4.19Å; F121-R131 HydrophobicContact CE2-CB 3.72Å; F121-R131 HydrophobicContact CE2-CG 3.82Å; F121-R131 HydrophobicContact CG-CG 4.26Å; F121-R131 HydrophobicContact CZ-CB 3.69Å; F121-R131 HydrophobicContact CZ-CG 4.19Å; F121-I134 HydrophobicContact CD1-CG2 4.32Å; F121-I134 HydrophobicContact CE1-CB 4.36Å; F121-I134 HydrophobicContact CE1-CG2 4Å; F121-L135 HydrophobicContact CZ-CB 4.35Å; F121-F148 HydrophobicContact CE2-CE1 4.42Å; F121-F148 AromaticContact CE2-CZ 3.85Å; F121-F148 HydrophobicContact CE2-CZ 3.85Å; F121-F148 HydrophobicContact CZ-CE1 4.09Å; F121-F148 AromaticContact CZ-CZ 3.91Å; F121-F148 HydrophobicContact CZ-CZ 3.91Å; F121-K177 WeakPolarHBondContact CA-O 3.49Å; F121-I178 HydrophobicContact CD1-CG1 4.1Å; F121-I178 HydrophobicContact CD1-CG2 4.37Å; F121-I178 HydrophobicContact CE1-CD1 4.04Å; F121-I178 HydrophobicContact CE1-CG1 4.02Å; F121-I178 HydrophobicContact CE1-CG2 4.06Å; F121-I178 HydrophobicContact CZ-CG2 4.19Å
122	V	91.6	Very high	89.6	Confident	100 Å²	100	63.7 Å²	63.7	61%	0.606	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.7	169.9	179.3	0	0	0	0	107.3	Y176 K177	V122-Y176 CarbonylContact O-C 3.57Å; V122-Y176 WeakPolarHBondContact O-CA 3.34Å; V122-K177 PolarHBondContact N-O 2.89Å; V122-K177 PolarHBondContact O-N 3.42Å
123	P	89.8	Confident	89.7	Confident	65 Å²	65	64 Å²	64	42%	0.422	33%	0.326	S	S	.	.	S	Bend	cis	-63.6	159.7	-5.6	29.3	-36.3	0	0	0	112.6	F121 I125 I174 E175	F121-P123 CarbonylContact C-O 3.51Å; F121-P123 CarbonylContact O-C 3.49Å; P123-I125 WeakPolarHBondContact O-CG1 3.39Å; P123-I125 PolarHBondContact O-N 2.96Å; P123-I174 HydrophobicContact CG-CG2 4.3Å; P123-E175 WeakPolarHBondContact CD-O 3.47Å
124	T	89.1	Confident	89.8	Confident	120 Å²	120	58.8 Å²	58.8	74%	0.736	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-66.2	118.6	-178.4	-55.6	0	0	0	0	111.3
125	I	87.5	Confident	89.8	Confident	30 Å²	30	58.8 Å²	58.8	15%	0.154	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-102.1	118.6	178.9	-57.4	179.9	0	0	0	109.3	F121 P123 V130 R131 I134	F121-I125 HydrophobicContact CD1-CD1 4.45Å; P123-I125 WeakPolarHBondContact O-CG1 3.39Å; P123-I125 PolarHBondContact O-N 2.96Å; I125-V130 HydrophobicContact CD1-CG1 4.27Å; I125-V130 HydrophobicContact CG2-CB 3.82Å; I125-V130 HydrophobicContact CG2-CG1 3.85Å; I125-R131 HydrophobicContact CB-CG 3.98Å; I125-R131 HydrophobicContact CG2-CG 4.01Å; I125-R131 VanDerWaalsContact O-CZ 3.25Å; I125-R131 PolarHBondContact O-NE 3.43Å; I125-R131 PolarHBondContact O-NH2 2.76Å; I125-I134 HydrophobicContact CD1-CD1 3.33Å
126	E	85.3	Confident	89.6	Confident	178 Å²	178	61.2 Å²	61.2	83%	0.832	32%	0.324	S	S	*	.			trans	-71.8	-34.8	178.7	-63.8	-162.7	150.1	0	0	113.7	P128	E126-P128 VanDerWaalsContact O-CD 3.27Å; E126-P128 WeakPolarHBondContact O-CD 3.32Å
127	N	85.3	Confident	89.4	Confident	82 Å²	82	65.5 Å²	65.5	44%	0.439	35%	0.348	S	S	.	.			trans	-84.4	113.2	-170.5	-173	-23.8	0	0	0	111.8	R129 V130 R131	N127-R129 PolarHBondContact O-N 2.83Å; N127-R129 VanDerWaalsContact O-N 3.15Å; N127-R129 WeakPolarHBondContact OD1-CB 3.47Å; N127-R129 PolarHBondContact OD1-N 3.19Å; N127-R129 VanDerWaalsContact OD1-N 3.09Å; N127-V130 HydrophobicContact CB-CB 4.32Å; N127-V130 HydrophobicContact CB-CG2 3.92Å; N127-V130 PolarHBondContact O-N 2.91Å; N127-R131 PolarHBondContact O-N 3.08Å
128	P	84.4	Confident	89.1	Confident	60 Å²	60	67.1 Å²	67.1	39%	0.39	36%	0.355	S	S	.	.	H	α-helix	trans	-61.1	-29.2	-176.6	-25.1	36.5	0	0	0	113.6	E126 V130 R131 M132	E126-P128 VanDerWaalsContact O-CD 3.27Å; E126-P128 WeakPolarHBondContact O-CD 3.32Å; P128-V130 VanDerWaalsContact C-N 3.31Å; P128-V130 PolarHBondContact O-N 3.38Å; P128-R131 WeakPolarHBondContact O-CB 3.34Å; P128-R131 PolarHBondContact O-N 3.21Å; P128-M132 WeakPolarHBondContact O-CB 3.32Å; P128-M132 VanDerWaalsContact O-CG 3.22Å; P128-M132 WeakPolarHBondContact O-CG 3.49Å; P128-M132 PolarHBondContact O-N 3.26Å
129	R	86.7	Confident	88.5	Confident	208 Å²	208	66.3 Å²	66.3	79%	0.785	36%	0.357	S	S	*	.	H	α-helix	trans	-67.7	-32.7	177.8	-62.1	-177.4	-175.9	153.6	4.4	112.4	N127 G133	N127-R129 PolarHBondContact O-N 2.83Å; N127-R129 VanDerWaalsContact O-N 3.15Å; N127-R129 WeakPolarHBondContact OD1-CB 3.47Å; N127-R129 PolarHBondContact OD1-N 3.19Å; N127-R129 VanDerWaalsContact OD1-N 3.09Å; R129-G133 PolarHBondContact O-N 2.96Å
130	V	87.9	Confident	88	Confident	68 Å²	68	73.9 Å²	73.9	41%	0.412	40%	0.398	S	S	.	.	H	α-helix	trans	-72.7	-43.7	176.8	179.9	0	0	0	0	109.6	I125 N127 P128 M132 G133 I134	I125-V130 HydrophobicContact CD1-CG1 4.27Å; I125-V130 HydrophobicContact CG2-CB 3.82Å; I125-V130 HydrophobicContact CG2-CG1 3.85Å; N127-V130 HydrophobicContact CB-CB 4.32Å; N127-V130 HydrophobicContact CB-CG2 3.92Å; N127-V130 PolarHBondContact O-N 2.91Å; P128-V130 VanDerWaalsContact C-N 3.31Å; P128-V130 PolarHBondContact O-N 3.38Å; V130-M132 VanDerWaalsContact C-N 3.35Å; V130-M132 PolarHBondContact O-N 2.95Å; V130-G133 PolarHBondContact O-N 3.29Å; V130-I134 HydrophobicContact CG1-CD1 3.88Å; V130-I134 WeakPolarHBondContact O-CG1 3.21Å; V130-I134 PolarHBondContact O-N 3.04Å
131	R	89.8	Confident	87.4	Confident	45 Å²	45	73.2 Å²	73.2	17%	0.17	40%	0.396	C	S	.	.	H	α-helix	trans	-54.4	-48.2	170	-64	-175.9	-174.2	-160.9	-3.1	112.1	F121 I125 N127 P128 I134 L135 F148 G150	F121-R131 HydrophobicContact CD2-CB 4.25Å; F121-R131 HydrophobicContact CD2-CG 3.84Å; F121-R131 HydrophobicContact CE1-CB 4.19Å; F121-R131 HydrophobicContact CE2-CB 3.72Å; F121-R131 HydrophobicContact CE2-CG 3.82Å; F121-R131 HydrophobicContact CG-CG 4.26Å; F121-R131 HydrophobicContact CZ-CB 3.69Å; F121-R131 HydrophobicContact CZ-CG 4.19Å; I125-R131 HydrophobicContact CB-CG 3.98Å; I125-R131 HydrophobicContact CG2-CG 4.01Å; I125-R131 VanDerWaalsContact O-CZ 3.25Å; I125-R131 PolarHBondContact O-NE 3.43Å; I125-R131 PolarHBondContact O-NH2 2.76Å; N127-R131 PolarHBondContact O-N 3.08Å; P128-R131 WeakPolarHBondContact O-CB 3.34Å; P128-R131 PolarHBondContact O-N 3.21Å; R131-I134 PolarHBondContact O-N 3.37Å; R131-L135 WeakPolarHBondContact O-CB 3.17Å; R131-L135 PolarHBondContact O-N 3.5Å; R131-F148 HydrophobicContact CB-CE1 4.19Å; R131-G150 WeakPolarHBondContact CD-O 3.44Å; R131-G150 PolarHBondContact NH1-O 2.87Å
132	M	88.9	Confident	86.8	Confident	80 Å²	80	72.7 Å²	72.7	39%	0.394	39%	0.394	S	S	.	.	H	α-helix	trans	-62.1	-41.7	178	-70.9	169.6	72.8	0	0	112.5	P128 V130 S136 F148	P128-M132 WeakPolarHBondContact O-CB 3.32Å; P128-M132 VanDerWaalsContact O-CG 3.22Å; P128-M132 WeakPolarHBondContact O-CG 3.49Å; P128-M132 PolarHBondContact O-N 3.26Å; V130-M132 VanDerWaalsContact C-N 3.35Å; V130-M132 PolarHBondContact O-N 2.95Å; M132-S136 WeakPolarHBondContact O-CB 3.24Å; M132-S136 PolarHBondContact O-N 2.95Å; M132-F148 HydrophobicContact CB-CD1 4.24Å; M132-F148 WeakPolarHBondContact CE-O 3.48Å; M132-F148 HydrophobicContact CG-CD1 3.69Å; M132-F148 HydrophobicContact CG-CE1 4.05Å
133	G	88.4	Confident	86	Confident	32 Å²	32	69 Å²	69	33%	0.33	38%	0.375	S	S	.	.	H	α-helix	trans	-62.9	-47.6	175.2	0	0	0	0	0	112.3	R129 V130 S136 N137	R129-G133 PolarHBondContact O-N 2.96Å; V130-G133 PolarHBondContact O-N 3.29Å; G133-S136 PolarHBondContact O-N 3.27Å; G133-S136 VanDerWaalsContact O-N 3.17Å; G133-S136 PolarHBondContact O-OG 3.29Å; G133-N137 PolarHBondContact O-N 3.38Å
134	I	89.7	Confident	85.2	Confident	17 Å²	17	69.3 Å²	69.3	9%	0.087	38%	0.379	C	S	.	.	H	α-helix	trans	-61.7	-47.7	178	-72.8	167.8	0	0	0	111.1	F121 I125 V130 R131 S136 N137 Y176 I178	F121-I134 HydrophobicContact CD1-CG2 4.32Å; F121-I134 HydrophobicContact CE1-CB 4.36Å; F121-I134 HydrophobicContact CE1-CG2 4Å; I125-I134 HydrophobicContact CD1-CD1 3.33Å; V130-I134 HydrophobicContact CG1-CD1 3.88Å; V130-I134 WeakPolarHBondContact O-CG1 3.21Å; V130-I134 PolarHBondContact O-N 3.04Å; R131-I134 PolarHBondContact O-N 3.37Å; I134-S136 PolarHBondContact O-N 2.94Å; I134-N137 WeakPolarHBondContact O-CB 3.37Å; I134-N137 PolarHBondContact O-N 3.1Å; I134-Y176 HydrophobicContact CG2-CD1 4.07Å; I134-Y176 HydrophobicContact CG2-CD2 3.7Å; I134-Y176 HydrophobicContact CG2-CE1 3.85Å; I134-Y176 HydrophobicContact CG2-CE2 3.5Å; I134-Y176 HydrophobicContact CG2-CG 4.01Å; I134-I178 HydrophobicContact CG2-CD1 3.98Å; I134-I178 HydrophobicContact CG2-CG1 4.49Å
135	L	89.8	Confident	84.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-31.8	176.8	-167.2	70	0	0	0	111.9	V119 F121 R131 N137 H138 L142 F148 L153 I178 I180	V119-L135 HydrophobicContact CG1-CD1 4.33Å; F121-L135 HydrophobicContact CZ-CB 4.35Å; R131-L135 WeakPolarHBondContact O-CB 3.17Å; R131-L135 PolarHBondContact O-N 3.5Å; L135-N137 VanDerWaalsContact C-N 3.25Å; L135-N137 PolarHBondContact O-N 2.95Å; L135-H138 PolarHBondContact O-N 3.22Å; L135-L142 HydrophobicContact CD1-CD1 4.39Å; L135-L142 HydrophobicContact CD1-CD2 4.34Å; L135-L142 HydrophobicContact CD2-CD1 4.21Å; L135-L142 HydrophobicContact CG-CD1 3.87Å; L135-F148 HydrophobicContact CB-CD1 4.15Å; L135-F148 HydrophobicContact CB-CE1 4.04Å; L135-F148 HydrophobicContact CD2-CB 4.06Å; L135-F148 HydrophobicContact CD2-CD1 3.37Å; L135-F148 HydrophobicContact CD2-CD2 3.77Å; L135-F148 HydrophobicContact CD2-CE1 3.63Å; L135-F148 HydrophobicContact CD2-CE2 4.04Å; L135-F148 HydrophobicContact CD2-CG 3.46Å; L135-F148 VanDerWaalsContact CD2-CG 3.46Å; L135-F148 HydrophobicContact CD2-CZ 3.96Å; L135-F148 HydrophobicContact CG-CD1 4.38Å; L135-F148 HydrophobicContact CG-CE1 4.45Å; L135-L153 HydrophobicContact CD2-CD1 4.38Å; L135-I178 HydrophobicContact CD1-CD1 3.87Å; L135-I178 HydrophobicContact CD1-CG2 4.06Å; L135-I180 HydrophobicContact CD1-CD1 4.13Å
136	S	88.2	Confident	85	Confident	54 Å²	54	63.7 Å²	63.7	38%	0.378	34%	0.343	S	S	.	.	H	α-helix	trans	-67.2	-20.8	177.7	74.9	0	0	0	0	114.6	M132 G133 I134 H138 A139 Y146	M132-S136 WeakPolarHBondContact O-CB 3.24Å; M132-S136 PolarHBondContact O-N 2.95Å; G133-S136 PolarHBondContact O-N 3.27Å; G133-S136 VanDerWaalsContact O-N 3.17Å; G133-S136 PolarHBondContact O-OG 3.29Å; I134-S136 PolarHBondContact O-N 2.94Å; S136-H138 PolarHBondContact O-N 2.89Å; S136-A139 WeakPolarHBondContact O-CB 3.34Å; S136-A139 PolarHBondContact O-N 3.29Å; S136-Y146 WeakPolarHBondContact CA-OH 3.24Å; S136-Y146 WeakPolarHBondContact CB-OH 3.46Å
137	N	87.9	Confident	85.2	Confident	103 Å²	103	56.5 Å²	56.5	55%	0.551	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-25	170	-60.1	-23.1	0	0	0	112	G133 I134 L135	G133-N137 PolarHBondContact O-N 3.38Å; I134-N137 WeakPolarHBondContact O-CB 3.37Å; I134-N137 PolarHBondContact O-N 3.1Å; L135-N137 VanDerWaalsContact C-N 3.25Å; L135-N137 PolarHBondContact O-N 2.95Å
138	H	87.4	Confident	85.4	Confident	35 Å²	35	53.5 Å²	53.5	16%	0.162	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	13.4	-178.6	-63.1	-87.4	0	0	0	113.2	L135 S136 N140 L141 L142 L166 Y176	L135-H138 PolarHBondContact O-N 3.22Å; S136-H138 PolarHBondContact O-N 2.89Å; H138-N140 PolarHBondContact O-N 3.01Å; H138-L141 PolarHBondContact O-N 3.41Å; H138-L142 PolarHBondContact O-N 3.31Å; H138-L166 HydrophobicContact CB-CD1 3.85Å; H138-Y176 AromaticContact NE2-CE2 3.59Å; H138-Y176 AromaticContact NE2-CZ 3.75Å; H138-Y176 PolarHBondContact NE2-OH 3.29Å
139	A	81.6	Confident	85.2	Confident	31 Å²	31	53.9 Å²	53.9	26%	0.256	29%	0.292	S	S	.	.	H	α-helix	trans	-52	-34.3	-174.2	0	0	0	0	0	114.3	S136 L141 L142 G143 Y146	S136-A139 WeakPolarHBondContact O-CB 3.34Å; S136-A139 PolarHBondContact O-N 3.29Å; A139-L141 PolarHBondContact O-N 3.18Å; A139-L142 PolarHBondContact O-N 2.87Å; A139-G143 PolarHBondContact O-N 2.86Å; A139-Y146 HydrophobicContact CB-CE1 4.02Å
140	N	81.6	Confident	85	Confident	160 Å²	160	44.1 Å²	44.1	86%	0.856	26%	0.256	S	S	*	.	H	α-helix	trans	-57.4	-33.7	177.6	-62.6	-4.7	0	0	0	112.7	H138	H138-N140 PolarHBondContact O-N 3.01Å
141	L	81.4	Confident	85	Confident	59 Å²	59	43.7 Å²	43.7	31%	0.309	25%	0.251	S	S	.	.	H	α-helix	trans	-81.2	-40	178.6	-166.8	74.4	0	0	0	111.9	H138 A139 G143 R157 F159 T164 L166	H138-L141 PolarHBondContact O-N 3.41Å; A139-L141 PolarHBondContact O-N 3.18Å; L141-G143 PolarHBondContact O-N 2.98Å; L141-G143 VanDerWaalsContact O-N 3.12Å; L141-R157 VanDerWaalsContact O-CD 3.29Å; L141-R157 WeakPolarHBondContact O-CD 3.42Å; L141-R157 PolarHBondContact O-NH1 3.25Å; L141-F159 HydrophobicContact CG-CE1 4.14Å; L141-T164 HydrophobicContact CD2-CG2 4.28Å; L141-L166 HydrophobicContact CD2-CD1 4.11Å; L141-L166 HydrophobicContact CD2-CD2 3.36Å; L141-L166 HydrophobicContact CD2-CG 4.36Å
142	L	80	Confident	85.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-18.6	-177.7	-53.7	174.8	0	0	0	113.6	L135 H138 A139 Y146 L153 T155 F159 I180	L135-L142 HydrophobicContact CD1-CD1 4.39Å; L135-L142 HydrophobicContact CD1-CD2 4.34Å; L135-L142 HydrophobicContact CD2-CD1 4.21Å; L135-L142 HydrophobicContact CG-CD1 3.87Å; H138-L142 PolarHBondContact O-N 3.31Å; A139-L142 PolarHBondContact O-N 2.87Å; L142-Y146 HydrophobicContact CB-CD1 3.97Å; L142-Y146 HydrophobicContact CB-CG 4.18Å; L142-Y146 HydrophobicContact CD1-CD1 3.92Å; L142-Y146 HydrophobicContact CD1-CD2 3.96Å; L142-Y146 HydrophobicContact CD1-CE1 3.78Å; L142-Y146 HydrophobicContact CD1-CE2 3.81Å; L142-Y146 HydrophobicContact CD1-CG 4.02Å; L142-L153 HydrophobicContact CD2-CD2 4.02Å; L142-T155 PolarHBondContact O-OG1 2.89Å; L142-F159 HydrophobicContact CD2-CZ 4.21Å; L142-I180 HydrophobicContact CD2-CD1 4.02Å
143	G	74.3	Confident	85.2	Confident	21 Å²	21	39.8 Å²	39.8	22%	0.216	23%	0.234	C	C	.	.			trans	90.3	162.3	-169.7	0	0	0	0	0	111.7	A139 L141 G145	A139-G143 PolarHBondContact O-N 2.86Å; L141-G143 PolarHBondContact O-N 2.98Å; L141-G143 VanDerWaalsContact O-N 3.12Å; G143-G145 VanDerWaalsContact C-N 3.28Å; G143-G145 PolarHBondContact O-N 3.31Å
144	S	74	Confident	85.4	Confident	72 Å²	72	39.7 Å²	39.7	50%	0.503	22%	0.224	S	C	.	.	S	Bend	trans	-53.9	-42.4	-177.8	42.6	0	0	0	0	113.4	D421	S144-D421 PolarHBondContact OG-O 3.17Å
145	G	81.8	Confident	85.5	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.01	22%	0.22	C	C	.	.	S	Bend	trans	-110	103.4	-176.3	0	0	0	0	0	112.4	G143 T155 D421	G143-G145 VanDerWaalsContact C-N 3.28Å; G143-G145 PolarHBondContact O-N 3.31Å; G145-T155 PolarHBondContact O-OG1 2.9Å; G145-D421 VanDerWaalsContact CA-O 3.27Å; G145-D421 WeakPolarHBondContact CA-O 3.48Å; G145-D421 PolarHBondContact N-O 3.39Å
146	Y	90.7	Very high	85.4	Confident	32 Å²	32	40.5 Å²	40.5	13%	0.125	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	156.8	168.8	78.8	-85.1	0	0	0	112.8	S136 A139 L142 F148 L153 F154 R203	S136-Y146 WeakPolarHBondContact CA-OH 3.24Å; S136-Y146 WeakPolarHBondContact CB-OH 3.46Å; A139-Y146 HydrophobicContact CB-CE1 4.02Å; L142-Y146 HydrophobicContact CB-CD1 3.97Å; L142-Y146 HydrophobicContact CB-CG 4.18Å; L142-Y146 HydrophobicContact CD1-CD1 3.92Å; L142-Y146 HydrophobicContact CD1-CD2 3.96Å; L142-Y146 HydrophobicContact CD1-CE1 3.78Å; L142-Y146 HydrophobicContact CD1-CE2 3.81Å; L142-Y146 HydrophobicContact CD1-CG 4.02Å; Y146-F148 HydrophobicContact CD2-CB 4.09Å; Y146-F148 HydrophobicContact CE2-CB 4.04Å; Y146-L153 HydrophobicContact CD2-CD1 3.76Å; Y146-L153 HydrophobicContact CG-CD1 4.27Å; Y146-F154 CarbonylContact C-O 3.52Å; Y146-F154 VanDerWaalsContact CA-O 3.23Å; Y146-F154 WeakPolarHBondContact CA-O 3.44Å; Y146-F154 WeakPolarHBondContact CB-O 3.27Å; Y146-R203 PolarHBondContact O-NH1 3.46Å
147	L	89.4	Confident	85.4	Confident	26 Å²	26	42.9 Å²	42.9	14%	0.136	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136.9	169.4	-74.4	172.7	0	0	0	108.1	L153 F154 V196 L199 I200 W422	L147-L153 WeakPolarHBondContact O-CA 3.36Å; L147-F154 HydrophobicContact CB-CB 4.43Å; L147-F154 HydrophobicContact CB-CD2 4.35Å; L147-F154 PolarHBondContact N-O 3.26Å; L147-F154 PolarHBondContact O-N 3.1Å; L147-V196 HydrophobicContact CD1-CG1 4.06Å; L147-L199 HydrophobicContact CD1-CB 3.49Å; L147-L199 VanDerWaalsContact CD1-CB 3.49Å; L147-L199 HydrophobicContact CD1-CD1 4.06Å; L147-L199 HydrophobicContact CD1-CG 4.43Å; L147-L199 HydrophobicContact CD2-CB 4.25Å; L147-I200 HydrophobicContact CD1-CG1 4.28Å; L147-W422 HydrophobicContact CB-CZ2 4.27Å; L147-W422 HydrophobicContact CD1-CZ2 4.22Å; L147-W422 HydrophobicContact CG-CH2 4.47Å; L147-W422 HydrophobicContact CG-CZ2 3.81Å
148	F	88.7	Confident	85.5	Confident	19 Å²	19	43.7 Å²	43.7	8%	0.083	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	134.3	179.3	179.8	-122.9	0	0	0	109.7	V119 F121 R131 M132 L135 Y146 Q152 L153	V119-F148 HydrophobicContact CB-CE2 3.65Å; V119-F148 HydrophobicContact CB-CZ 4.01Å; V119-F148 HydrophobicContact CG1-CE2 4.23Å; V119-F148 HydrophobicContact CG1-CZ 4.16Å; V119-F148 HydrophobicContact CG2-CD2 4.19Å; V119-F148 HydrophobicContact CG2-CE2 3.64Å; V119-F148 HydrophobicContact CG2-CZ 4.38Å; F121-F148 HydrophobicContact CE2-CE1 4.42Å; F121-F148 AromaticContact CE2-CZ 3.85Å; F121-F148 HydrophobicContact CE2-CZ 3.85Å; F121-F148 HydrophobicContact CZ-CE1 4.09Å; F121-F148 AromaticContact CZ-CZ 3.91Å; F121-F148 HydrophobicContact CZ-CZ 3.91Å; R131-F148 HydrophobicContact CB-CE1 4.19Å; M132-F148 HydrophobicContact CB-CD1 4.24Å; M132-F148 WeakPolarHBondContact CE-O 3.48Å; M132-F148 HydrophobicContact CG-CD1 3.69Å; M132-F148 HydrophobicContact CG-CE1 4.05Å; L135-F148 HydrophobicContact CB-CD1 4.15Å; L135-F148 HydrophobicContact CB-CE1 4.04Å; L135-F148 HydrophobicContact CD2-CB 4.06Å; L135-F148 HydrophobicContact CD2-CD1 3.37Å; L135-F148 HydrophobicContact CD2-CD2 3.77Å; L135-F148 HydrophobicContact CD2-CE1 3.63Å; L135-F148 HydrophobicContact CD2-CE2 4.04Å; L135-F148 HydrophobicContact CD2-CG 3.46Å; L135-F148 VanDerWaalsContact CD2-CG 3.46Å; L135-F148 HydrophobicContact CD2-CZ 3.96Å; L135-F148 HydrophobicContact CG-CD1 4.38Å; L135-F148 HydrophobicContact CG-CE1 4.45Å; Y146-F148 HydrophobicContact CD2-CB 4.09Å; Y146-F148 HydrophobicContact CE2-CB 4.04Å; F148-Q152 WeakPolarHBondContact CA-O 3.22Å; F148-Q152 VanDerWaalsContact CD2-O 3.29Å; F148-Q152 WeakPolarHBondContact CD2-O 3.32Å; F148-L153 HydrophobicContact CB-CD1 4.3Å; F148-L153 HydrophobicContact CD2-CB 3.95Å
149	D	81.3	Confident	85.6	Confident	68 Å²	68	42.7 Å²	42.7	36%	0.364	23%	0.225	S	C	.	.			trans	-105.5	-4.1	-178	71	-2.2	0	0	0	114.3	L151 Q152	D149-L151 PolarHBondContact OD1-N 2.82Å; D149-Q152 PolarHBondContact N-O 3.19Å; D149-Q152 PolarHBondContact OD1-N 3.24Å
150	G	83.1	Confident	85.8	Confident	3 Å²	3	50.1 Å²	50.1	3%	0.031	25%	0.254	C	S	.	.	S	Bend	trans	110.3	-8.6	-170.5	0	0	0	0	0	114.1	R131	R131-G150 WeakPolarHBondContact CD-O 3.44Å; R131-G150 PolarHBondContact NH1-O 2.87Å
151	L	87.9	Confident	86	Confident	59 Å²	59	48.3 Å²	48.3	31%	0.309	24%	0.24	S	C	.	.	S	Bend	trans	-145.4	-42.6	177.7	-170.1	70.5	0	0	0	112.9	H118 V119 D149	H118-L151 VanDerWaalsContact CE1-CD1 3.46Å; H118-L151 WeakPolarHBondContact CE1-CD1 3.42Å; H118-L151 VanDerWaalsContact CE1-CG 3.44Å; H118-L151 WeakPolarHBondContact CE1-CG 3.45Å; V119-L151 PolarHBondContact N-O 2.85Å; D149-L151 PolarHBondContact OD1-N 2.82Å
152	Q	90.8	Very high	86.2	Confident	43 Å²	43	52.3 Å²	52.3	20%	0.201	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.9	-177.9	-49.8	-63	-15.8	0	0	110	H116 F148 D149 F154	H116-Q152 PolarHBondContact NE2-OE1 3.11Å; F148-Q152 WeakPolarHBondContact CA-O 3.22Å; F148-Q152 VanDerWaalsContact CD2-O 3.29Å; F148-Q152 WeakPolarHBondContact CD2-O 3.32Å; D149-Q152 PolarHBondContact N-O 3.19Å; D149-Q152 PolarHBondContact OD1-N 3.24Å; Q152-F154 HydrophobicContact CB-CE2 4.19Å; Q152-F154 HydrophobicContact CB-CZ 4.08Å
153	L	91.6	Very high	86.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.3	179.9	167.3	67.9	0	0	0	110	Y117 V119 L135 L142 Y146 L147 F148 I180	Y117-L153 HydrophobicContact CG-CD2 4.44Å; Y117-L153 PolarHBondContact N-O 2.88Å; Y117-L153 PolarHBondContact O-N 3.06Å; V119-L153 HydrophobicContact CG2-CB 3.56Å; V119-L153 HydrophobicContact CG2-CD2 4.05Å; V119-L153 HydrophobicContact CG2-CG 4.44Å; L135-L153 HydrophobicContact CD2-CD1 4.38Å; L142-L153 HydrophobicContact CD2-CD2 4.02Å; Y146-L153 HydrophobicContact CD2-CD1 3.76Å; Y146-L153 HydrophobicContact CG-CD1 4.27Å; L147-L153 WeakPolarHBondContact O-CA 3.36Å; F148-L153 HydrophobicContact CB-CD1 4.3Å; F148-L153 HydrophobicContact CD2-CB 3.95Å; L153-I180 HydrophobicContact CD2-CD1 4.47Å; L153-I180 HydrophobicContact CD2-CG2 3.9Å
154	F	92.3	Very high	87.5	Confident	30 Å²	30	55.8 Å²	55.8	13%	0.132	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.6	173.8	-50.7	-72.7	0	0	0	109.9	I114 V115 H116 Y146 L147 Q152 I186 V196 W422	I114-F154 HydrophobicContact CG2-CB 4.14Å; V115-F154 WeakPolarHBondContact O-CA 3.33Å; H116-F154 HydrophobicContact CB-CD1 4.04Å; H116-F154 HydrophobicContact CB-CE1 4.03Å; H116-F154 AromaticContact CD2-CD1 3.82Å; H116-F154 AromaticContact CD2-CE1 3.32Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.4Å; H116-F154 AromaticContact CG-CE1 3.57Å; H116-F154 AromaticContact NE2-CE1 3.9Å; Y146-F154 CarbonylContact C-O 3.52Å; Y146-F154 VanDerWaalsContact CA-O 3.23Å; Y146-F154 WeakPolarHBondContact CA-O 3.44Å; Y146-F154 WeakPolarHBondContact CB-O 3.27Å; L147-F154 HydrophobicContact CB-CB 4.43Å; L147-F154 HydrophobicContact CB-CD2 4.35Å; L147-F154 PolarHBondContact N-O 3.26Å; L147-F154 PolarHBondContact O-N 3.1Å; Q152-F154 HydrophobicContact CB-CE2 4.19Å; Q152-F154 HydrophobicContact CB-CZ 4.08Å; F154-I186 HydrophobicContact CD1-CD1 3.63Å; F154-I186 HydrophobicContact CE1-CD1 3.72Å; F154-V196 HydrophobicContact CB-CG2 4.21Å; F154-V196 HydrophobicContact CD1-CG2 4.14Å; F154-V196 HydrophobicContact CD2-CG2 3.91Å; F154-V196 HydrophobicContact CE2-CG2 4.32Å; F154-V196 HydrophobicContact CG-CG2 3.81Å; F154-W422 HydrophobicContact CB-CH2 4.21Å; F154-W422 WeakPolarHBondContact O-CH2 3.49Å
155	T	91.8	Very high	88.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	167.4	179.1	174.9	0	0	0	0	109.9	V115 Y117 L142 G145 R157	V115-T155 PolarHBondContact N-O 2.75Å; V115-T155 PolarHBondContact O-N 2.84Å; Y117-T155 HydrophobicContact CD2-CG2 4.06Å; Y117-T155 HydrophobicContact CE2-CG2 3.99Å; L142-T155 PolarHBondContact O-OG1 2.89Å; G145-T155 PolarHBondContact O-OG1 2.9Å; T155-R157 VanDerWaalsContact CG2-O 3.3Å; T155-R157 WeakPolarHBondContact CG2-O 3.27Å; T155-R157 PolarHBondContact OG1-N 2.83Å; T155-R157 VanDerWaalsContact OG1-N 3.09Å
156	T	88.2	Confident	88.6	Confident	35 Å²	35	57.1 Å²	57.1	22%	0.215	28%	0.275	C	S	.	.	S	Bend	trans	-90.1	-9.1	167.7	60.8	0	0	0	0	113.2	W112 W422 N423	W112-T156 HydrophobicContact CZ2-CG2 4.39Å; T156-W422 HydrophobicContact CG2-CE3 3.69Å; T156-W422 HydrophobicContact CG2-CZ3 4.11Å; T156-N423 PolarHBondContact OG1-ND2 3.45Å
157	R	88.1	Confident	88.6	Confident	104 Å²	104	59.4 Å²	59.4	39%	0.392	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-85.5	126.8	176.2	-172.7	179.9	-173.7	168.1	6.6	109.9	L141 T155	L141-R157 VanDerWaalsContact O-CD 3.29Å; L141-R157 WeakPolarHBondContact O-CD 3.42Å; L141-R157 PolarHBondContact O-NH1 3.25Å; T155-R157 VanDerWaalsContact CG2-O 3.3Å; T155-R157 WeakPolarHBondContact CG2-O 3.27Å; T155-R157 PolarHBondContact OG1-N 2.83Å; T155-R157 VanDerWaalsContact OG1-N 3.09Å
158	K	88.9	Confident	88.5	Confident	120 Å²	120	59.3 Å²	59.3	52%	0.522	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-86.6	129.1	161.1	-160.7	-157.7	172.7	-172.4	0	108.5	V115 Y117 F182 F185	V115-K158 HydrophobicContact CG1-CG 4.48Å; V115-K158 HydrophobicContact CG2-CB 4.33Å; Y117-K158 WeakPolarHBondContact OH-CA 3.23Å; K158-F182 HydrophobicContact CG-CE2 4.45Å; K158-F185 HydrophobicContact CD-CZ 4.08Å
159	F	89.5	Confident	88.4	Confident	13 Å²	13	63.3 Å²	63.3	6%	0.057	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-76.2	150.4	163.5	-56.3	-58.4	0	0	0	110.5	Y117 L141 L142 T164 I180	Y117-F159 HydrophobicContact CD1-CD2 4.18Å; Y117-F159 HydrophobicContact CD2-CE2 4.42Å; Y117-F159 AromaticContact CE1-CD2 3.58Å; Y117-F159 HydrophobicContact CE1-CD2 3.58Å; Y117-F159 HydrophobicContact CE1-CE2 4.28Å; Y117-F159 AromaticContact CE2-CD2 3.96Å; Y117-F159 HydrophobicContact CE2-CD2 3.96Å; Y117-F159 HydrophobicContact CE2-CE2 4.12Å; Y117-F159 AromaticContact CZ-CD2 3.47Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.47Å; Y117-F159 PolarHBondContact OH-N 2.87Å; L141-F159 HydrophobicContact CG-CE1 4.14Å; L142-F159 HydrophobicContact CD2-CZ 4.21Å; F159-T164 WeakPolarHBondContact CB-OG1 3.49Å; F159-I180 HydrophobicContact CD2-CG2 4.35Å; F159-I180 HydrophobicContact CE2-CG2 4Å
160	E	86.3	Confident	88.4	Confident	188 Å²	188	61.4 Å²	61.4	88%	0.879	31%	0.311	S	S	*	.	S	Bend	trans	-70.6	-40.2	178.5	-69.3	154.5	-145.6	0	0	111.5
161	Q	86.4	Confident	88.3	Confident	121 Å²	121	71.4 Å²	71.4	57%	0.565	35%	0.353	S	S	*	.	S	Bend	trans	-84.3	139.6	179.8	-64.1	161.6	-4.7	0	0	110.9	I163	Q161-I163 VanDerWaalsContact C-N 3.27Å; Q161-I163 PolarHBondContact O-N 2.87Å
162	E	85.1	Confident	88	Confident	143 Å²	143	75.4 Å²	75.4	67%	0.668	37%	0.374	S	S	*	.	S	Bend	trans	-64.8	-32.9	173.7	-174.4	171.7	-147.1	0	0	112.1	K181 F182	E162-K181 CarbonylContact O-C 3.56Å; E162-K181 WeakPolarHBondContact O-CA 3.43Å; E162-F182 HydrophobicContact CG-CB 4.24Å; E162-F182 PolarHBondContact O-N 3.23Å
163	I	91	Very high	87.7	Confident	81 Å²	81	78.1 Å²	78.1	42%	0.415	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111.6	171.4	-52.3	-174.4	0	0	0	108.5	Q161 V165 S179 I180 K181	Q161-I163 VanDerWaalsContact C-N 3.27Å; Q161-I163 PolarHBondContact O-N 2.87Å; I163-V165 HydrophobicContact CG2-CG2 4.18Å; I163-S179 VanDerWaalsContact CG2-OG 3.3Å; I163-S179 WeakPolarHBondContact CG2-OG 3.47Å; I163-I180 WeakPolarHBondContact CA-O 3.48Å; I163-K181 HydrophobicContact CD1-CD 4.49Å; I163-K181 HydrophobicContact CD1-CG 4.2Å; I163-K181 HydrophobicContact CG1-CG 4.07Å; I163-K181 HydrophobicContact CG2-CG 4.17Å
164	T	90.1	Very high	87.5	Confident	13 Å²	13	82.7 Å²	82.7	8%	0.08	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.7	171.8	-55.7	0	0	0	0	109.1	L141 F159 L166 I180	L141-T164 HydrophobicContact CD2-CG2 4.28Å; F159-T164 WeakPolarHBondContact CB-OG1 3.49Å; T164-L166 HydrophobicContact CG2-CD2 4Å; T164-I180 PolarHBondContact N-O 2.92Å; T164-I180 PolarHBondContact O-N 3.31Å
165	V	90.4	Very high	87.4	Confident	84 Å²	84	87.5 Å²	87.5	51%	0.509	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.9	179.2	-178.3	0	0	0	0	110.3	I163 I178	I163-V165 HydrophobicContact CG2-CG2 4.18Å; V165-I178 CarbonylContact C-O 3.57Å; V165-I178 WeakPolarHBondContact CA-O 3.23Å
166	L	89.7	Confident	87.4	Confident	18 Å²	18	88.1 Å²	88.1	9%	0.094	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.1	178.7	-50.5	178.9	0	0	0	110.6	H138 L141 T164 K177 I178 I180	H138-L166 HydrophobicContact CB-CD1 3.85Å; L141-L166 HydrophobicContact CD2-CD1 4.11Å; L141-L166 HydrophobicContact CD2-CD2 3.36Å; L141-L166 HydrophobicContact CD2-CG 4.36Å; T164-L166 HydrophobicContact CG2-CD2 4Å; L166-K177 CarbonylContact O-C 3.51Å; L166-K177 WeakPolarHBondContact O-CA 3.34Å; L166-I178 HydrophobicContact CB-CB 4.2Å; L166-I178 HydrophobicContact CB-CD1 4.45Å; L166-I178 HydrophobicContact CB-CG1 4.43Å; L166-I178 PolarHBondContact N-O 3.43Å; L166-I178 PolarHBondContact O-N 2.85Å; L166-I180 HydrophobicContact CD1-CD1 3.69Å; L166-I180 HydrophobicContact CG-CD1 4.33Å
167	S	90.6	Very high	87.7	Confident	79 Å²	79	92.3 Å²	92.3	55%	0.552	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	154.5	177.9	-57.9	0	0	0	0	111	Y176	S167-Y176 WeakPolarHBondContact CA-O 3.38Å
168	G	87.8	Confident	88	Confident	25 Å²	25	87.4 Å²	87.4	26%	0.258	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	178.1	174	168.2	0	0	0	0	0	113	E175 Y176	G168-E175 WeakPolarHBondContact O-CA 3.32Å; G168-Y176 PolarHBondContact N-O 3.22Å; G168-Y176 VanDerWaalsContact N-O 3.07Å; G168-Y176 VanDerWaalsContact O-CD1 3.26Å; G168-Y176 WeakPolarHBondContact O-CD1 3.47Å; G168-Y176 WeakPolarHBondContact O-CE1 3.42Å; G168-Y176 PolarHBondContact O-N 2.83Å
169	K	85.6	Confident	88.2	Confident	102 Å²	102	82.9 Å²	82.9	44%	0.443	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	144.5	173.2	-71.8	-169.7	167.2	-165.7	0	111.7	D173 E175 Y176	K169-D173 WeakPolarHBondContact CD-O 3.41Å; K169-D173 VanDerWaalsContact CD-OD1 3.32Å; K169-D173 WeakPolarHBondContact CD-OD1 3.41Å; K169-D173 WeakPolarHBondContact CG-O 3.36Å; K169-D173 IonicContact NZ-OD1 3.83Å; K169-D173 IonicContact NZ-OD2 2.69Å; K169-D173 PolarHBondContact NZ-OD2 3.48Å; K169-E175 HydrophobicContact CD-CG 4.33Å; K169-E175 WeakPolarHBondContact CE-OE1 3.46Å; K169-E175 HydrophobicContact CG-CG 3.75Å; K169-Y176 VanDerWaalsContact C-CE1 3.47Å; K169-Y176 WeakPolarHBondContact O-CE1 3.44Å
170	S	81.8	Confident	88.4	Confident	29 Å²	29	82.3 Å²	82.3	20%	0.203	42%	0.417	C	S	.	.			trans	-79.9	176	176	76.1	0	0	0	0	111.7	L172 D173 I174	S170-L172 PolarHBondContact O-N 2.94Å; S170-L172 VanDerWaalsContact O-N 3.1Å; S170-L172 PolarHBondContact OG-N 2.92Å; S170-L172 VanDerWaalsContact OG-N 3.15Å; S170-D173 PolarHBondContact O-N 3.42Å; S170-I174 WeakPolarHBondContact CB-O 3.44Å; S170-I174 PolarHBondContact N-O 2.74Å; S170-I174 PolarHBondContact OG-N 3.43Å; S170-I174 PolarHBondContact OG-O 2.82Å
171	K	79.9	Confident	88.8	Confident	212 Å²	212	76.5 Å²	76.5	92%	0.922	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-4.4	171.3	-65.1	-165.5	176.3	-166	0	114.4
172	L	82.1	Confident	89.2	Confident	143 Å²	143	73.4 Å²	73.4	75%	0.749	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	21.1	175.2	-58.6	175.1	0	0	0	110.8	S170 I174	S170-L172 PolarHBondContact O-N 2.94Å; S170-L172 VanDerWaalsContact O-N 3.1Å; S170-L172 PolarHBondContact OG-N 2.92Å; S170-L172 VanDerWaalsContact OG-N 3.15Å; L172-I174 HydrophobicContact CB-CD1 4.19Å; L172-I174 HydrophobicContact CB-CG1 4.26Å; L172-I174 PolarHBondContact O-N 2.94Å
173	D	84.2	Confident	89.6	Confident	101 Å²	101	70.2 Å²	70.2	54%	0.54	36%	0.363	S	S	.	.	S	Bend	trans	58.5	-8.5	-174.7	-143.6	60	0	0	0	116.9	K169 S170 E175	K169-D173 WeakPolarHBondContact CD-O 3.41Å; K169-D173 VanDerWaalsContact CD-OD1 3.32Å; K169-D173 WeakPolarHBondContact CD-OD1 3.41Å; K169-D173 WeakPolarHBondContact CG-O 3.36Å; K169-D173 IonicContact NZ-OD1 3.83Å; K169-D173 IonicContact NZ-OD2 2.69Å; K169-D173 PolarHBondContact NZ-OD2 3.48Å; S170-D173 PolarHBondContact O-N 3.42Å; D173-E175 PolarHBondContact O-N 2.66Å
174	I	87.8	Confident	89.6	Confident	95 Å²	95	67.1 Å²	67.1	49%	0.487	35%	0.352	S	S	.	.			trans	-52.3	122.1	172.6	-54.4	168.9	0	0	0	109.7	P123 S170 L172	P123-I174 HydrophobicContact CG-CG2 4.3Å; S170-I174 WeakPolarHBondContact CB-O 3.44Å; S170-I174 PolarHBondContact N-O 2.74Å; S170-I174 PolarHBondContact OG-N 3.43Å; S170-I174 PolarHBondContact OG-O 2.82Å; L172-I174 HydrophobicContact CB-CD1 4.19Å; L172-I174 HydrophobicContact CB-CG1 4.26Å; L172-I174 PolarHBondContact O-N 2.94Å
175	E	91.1	Very high	89.7	Confident	132 Å²	132	70.7 Å²	70.7	62%	0.617	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	140.6	171.9	-73	-173.8	-174.2	0	0	111.5	P123 G168 K169 D173	P123-E175 WeakPolarHBondContact CD-O 3.47Å; G168-E175 WeakPolarHBondContact O-CA 3.32Å; K169-E175 HydrophobicContact CD-CG 4.33Å; K169-E175 WeakPolarHBondContact CE-OE1 3.46Å; K169-E175 HydrophobicContact CG-CG 3.75Å; D173-E175 PolarHBondContact O-N 2.66Å
176	Y	91.8	Very high	89.6	Confident	13 Å²	13	66.8 Å²	66.8	5%	0.051	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.8	171.3	63.1	-97.3	0	0	0	111.1	V122 I134 H138 S167 G168 K169 I178	V122-Y176 CarbonylContact O-C 3.57Å; V122-Y176 WeakPolarHBondContact O-CA 3.34Å; I134-Y176 HydrophobicContact CG2-CD1 4.07Å; I134-Y176 HydrophobicContact CG2-CD2 3.7Å; I134-Y176 HydrophobicContact CG2-CE1 3.85Å; I134-Y176 HydrophobicContact CG2-CE2 3.5Å; I134-Y176 HydrophobicContact CG2-CG 4.01Å; H138-Y176 AromaticContact NE2-CE2 3.59Å; H138-Y176 AromaticContact NE2-CZ 3.75Å; H138-Y176 PolarHBondContact NE2-OH 3.29Å; S167-Y176 WeakPolarHBondContact CA-O 3.38Å; G168-Y176 PolarHBondContact N-O 3.22Å; G168-Y176 VanDerWaalsContact N-O 3.07Å; G168-Y176 VanDerWaalsContact O-CD1 3.26Å; G168-Y176 WeakPolarHBondContact O-CD1 3.47Å; G168-Y176 WeakPolarHBondContact O-CE1 3.42Å; G168-Y176 PolarHBondContact O-N 2.83Å; K169-Y176 VanDerWaalsContact C-CE1 3.47Å; K169-Y176 WeakPolarHBondContact O-CE1 3.44Å; Y176-I178 HydrophobicContact CD2-CD1 4.23Å; Y176-I178 HydrophobicContact CD2-CG1 3.74Å; Y176-I178 HydrophobicContact CE2-CD1 3.91Å; Y176-I178 HydrophobicContact CE2-CG1 3.89Å
177	K	93.1	Very high	89.2	Confident	122 Å²	122	68.8 Å²	68.8	53%	0.53	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.1	165.5	-64.3	179.9	-177.5	176.2	0	108.6	F121 V122 L166	F121-K177 WeakPolarHBondContact CA-O 3.49Å; V122-K177 PolarHBondContact N-O 2.89Å; V122-K177 PolarHBondContact O-N 3.42Å; L166-K177 CarbonylContact O-C 3.51Å; L166-K177 WeakPolarHBondContact O-CA 3.34Å
178	I	94.2	Very high	88.4	Confident	1 Å²	1	68 Å²	68	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131	173.1	-43	-179	0	0	0	107.2	V119 E120 F121 I134 L135 V165 L166 Y176 I180	V119-I178 HydrophobicContact CG1-CG2 3.38Å; E120-I178 WeakPolarHBondContact O-CA 3.35Å; F121-I178 HydrophobicContact CD1-CG1 4.1Å; F121-I178 HydrophobicContact CD1-CG2 4.37Å; F121-I178 HydrophobicContact CE1-CD1 4.04Å; F121-I178 HydrophobicContact CE1-CG1 4.02Å; F121-I178 HydrophobicContact CE1-CG2 4.06Å; F121-I178 HydrophobicContact CZ-CG2 4.19Å; I134-I178 HydrophobicContact CG2-CD1 3.98Å; I134-I178 HydrophobicContact CG2-CG1 4.49Å; L135-I178 HydrophobicContact CD1-CD1 3.87Å; L135-I178 HydrophobicContact CD1-CG2 4.06Å; V165-I178 CarbonylContact C-O 3.57Å; V165-I178 WeakPolarHBondContact CA-O 3.23Å; L166-I178 HydrophobicContact CB-CB 4.2Å; L166-I178 HydrophobicContact CB-CD1 4.45Å; L166-I178 HydrophobicContact CB-CG1 4.43Å; L166-I178 PolarHBondContact N-O 3.43Å; L166-I178 PolarHBondContact O-N 2.85Å; Y176-I178 HydrophobicContact CD2-CD1 4.23Å; Y176-I178 HydrophobicContact CD2-CG1 3.74Å; Y176-I178 HydrophobicContact CE2-CD1 3.91Å; Y176-I178 HydrophobicContact CE2-CG1 3.89Å; I178-I180 HydrophobicContact CG2-CG1 4.03Å
179	S	93.6	Very high	87.5	Confident	26 Å²	26	70.3 Å²	70.3	18%	0.182	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.3	172.7	-175.4	0	0	0	0	109.1	V119 E120 I163	V119-S179 WeakPolarHBondContact CA-O 3.47Å; E120-S179 PolarHBondContact N-O 3.11Å; E120-S179 PolarHBondContact O-N 2.81Å; I163-S179 VanDerWaalsContact CG2-OG 3.3Å; I163-S179 WeakPolarHBondContact CG2-OG 3.47Å
180	I	94.5	Very high	87.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	101.1	-178.9	-56.1	177.4	0	0	0	108	Y117 H118 V119 L135 L142 L153 F159 I163 T164 L166 I178	Y117-I180 HydrophobicContact CD1-CG2 3.68Å; Y117-I180 HydrophobicContact CG-CG2 3.88Å; H118-I180 CarbonylContact O-C 3.58Å; H118-I180 WeakPolarHBondContact O-CA 3.47Å; V119-I180 HydrophobicContact CG1-CG1 4.24Å; V119-I180 HydrophobicContact CG2-CG1 4.44Å; L135-I180 HydrophobicContact CD1-CD1 4.13Å; L142-I180 HydrophobicContact CD2-CD1 4.02Å; L153-I180 HydrophobicContact CD2-CD1 4.47Å; L153-I180 HydrophobicContact CD2-CG2 3.9Å; F159-I180 HydrophobicContact CD2-CG2 4.35Å; F159-I180 HydrophobicContact CE2-CG2 4Å; I163-I180 WeakPolarHBondContact CA-O 3.48Å; T164-I180 PolarHBondContact N-O 2.92Å; T164-I180 PolarHBondContact O-N 3.31Å; L166-I180 HydrophobicContact CD1-CD1 3.69Å; L166-I180 HydrophobicContact CG-CD1 4.33Å; I178-I180 HydrophobicContact CG2-CG1 4.03Å
181	K	94.6	Very high	87	Confident	67 Å²	67	69 Å²	69	29%	0.291	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.6	-176.7	-56	178.7	-177.7	168	0	110.5	Y117 H118 E120 E162 I163	Y117-K181 CarbonylContact C-O 3.59Å; Y117-K181 VanDerWaalsContact CA-O 3.25Å; Y117-K181 WeakPolarHBondContact CA-O 3.19Å; Y117-K181 WeakPolarHBondContact CD1-O 3.26Å; H118-K181 HydrophobicContact CB-CB 4.46Å; H118-K181 PolarHBondContact N-O 2.85Å; H118-K181 PolarHBondContact O-N 3.36Å; E120-K181 WeakPolarHBondContact OE1-CE 3.45Å; E120-K181 IonicContact OE1-NZ 2.67Å; E120-K181 PolarHBondContact OE1-NZ 3.41Å; E120-K181 WeakPolarHBondContact OE2-CE 3.3Å; E120-K181 IonicContact OE2-NZ 2.66Å; E120-K181 PolarHBondContact OE2-NZ 2.53Å; E162-K181 CarbonylContact O-C 3.56Å; E162-K181 WeakPolarHBondContact O-CA 3.43Å; I163-K181 HydrophobicContact CD1-CD 4.49Å; I163-K181 HydrophobicContact CD1-CG 4.2Å; I163-K181 HydrophobicContact CG1-CG 4.07Å; I163-K181 HydrophobicContact CG2-CG 4.17Å
182	F	94.4	Very high	87.2	Confident	55 Å²	55	64.4 Å²	64.4	24%	0.241	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	137.7	174.4	178.7	-103.7	0	0	0	110.6	V115 Y117 K158 E162 F185	V115-F182 HydrophobicContact CG1-CD2 3.96Å; V115-F182 HydrophobicContact CG1-CE2 3.62Å; Y117-F182 VanDerWaalsContact CD1-CA 3.49Å; Y117-F182 HydrophobicContact CD1-CB 4.16Å; Y117-F182 HydrophobicContact CE1-CB 3.76Å; Y117-F182 AromaticContact CE1-CD2 3.8Å; Y117-F182 HydrophobicContact CE1-CD2 3.8Å; Y117-F182 HydrophobicContact CE1-CG 4.28Å; Y117-F182 AromaticContact CZ-CD2 3.86Å; K158-F182 HydrophobicContact CG-CE2 4.45Å; E162-F182 HydrophobicContact CG-CB 4.24Å; E162-F182 PolarHBondContact O-N 3.23Å; F182-F185 HydrophobicContact CZ-CD2 4.37Å; F182-F185 HydrophobicContact CZ-CE2 4.17Å
183	V	92.9	Very high	87.4	Confident	76 Å²	76	57.8 Å²	57.8	46%	0.461	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-35.4	176.3	-176.6	0	0	0	0	111.1	H116 H118	H116-V183 HydrophobicContact CB-CB 4.46Å; H116-V183 WeakPolarHBondContact O-CB 3.41Å; H116-V183 PolarHBondContact O-N 2.81Å; H118-V183 HydrophobicContact CB-CG2 3.88Å
184	G	91.9	Very high	87.4	Confident	17 Å²	17	53.4 Å²	53.4	18%	0.175	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.4	-168	176.6	0	0	0	0	0	114.2	H116	H116-G184 PolarHBondContact N-O 2.8Å; H116-G184 PolarHBondContact O-N 2.9Å
185	F	91	Very high	87.2	Confident	87 Å²	87	51.5 Å²	51.5	38%	0.382	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.6	167.5	-59.7	-80.8	0	0	0	109.5	R113 V115 K158 F182 S187	R113-F185 HydrophobicContact CB-CD1 4.03Å; V115-F185 HydrophobicContact CG1-CD1 4.46Å; V115-F185 HydrophobicContact CG2-CD1 4.1Å; V115-F185 HydrophobicContact CG2-CE1 4.06Å; K158-F185 HydrophobicContact CD-CZ 4.08Å; F182-F185 HydrophobicContact CZ-CD2 4.37Å; F182-F185 HydrophobicContact CZ-CE2 4.17Å; F185-S187 PolarHBondContact O-N 2.78Å
186	I	88.4	Confident	87.1	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.6	173.5	-56	177.7	0	0	0	109	I114 H116 F154 E190 R192 F193 V196	I114-I186 HydrophobicContact CB-CB 4.37Å; I114-I186 HydrophobicContact CB-CD1 4.38Å; I114-I186 HydrophobicContact CG2-CD1 3.87Å; I114-I186 HydrophobicContact CG2-CG1 4.47Å; I114-I186 PolarHBondContact O-N 2.7Å; H116-I186 HydrophobicContact CB-CD1 4.37Å; H116-I186 HydrophobicContact CB-CG1 4.1Å; F154-I186 HydrophobicContact CD1-CD1 3.63Å; F154-I186 HydrophobicContact CE1-CD1 3.72Å; I186-E190 WeakPolarHBondContact CA-OE1 3.38Å; I186-E190 HydrophobicContact CG2-CB 3.89Å; I186-R192 HydrophobicContact CD1-CB 4.22Å; I186-R192 HydrophobicContact CG2-CB 4.06Å; I186-F193 HydrophobicContact CG2-CB 3.75Å; I186-F193 HydrophobicContact CG2-CD2 4.25Å; I186-V196 HydrophobicContact CD1-CG2 4.28Å
187	S	81.4	Confident	87.1	Confident	59 Å²	59	44.7 Å²	44.7	41%	0.413	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-73	146.6	172.3	178.9	0	0	0	0	111.6	F185 A189 E190 F193	F185-S187 PolarHBondContact O-N 2.78Å; S187-A189 PolarHBondContact O-N 3.5Å; S187-A189 VanDerWaalsContact O-N 3.1Å; S187-A189 PolarHBondContact OG-N 2.92Å; S187-E190 PolarHBondContact N-OE1 2.67Å; S187-E190 WeakPolarHBondContact O-CB 3.18Å; S187-E190 PolarHBondContact O-N 2.73Å; S187-F193 WeakPolarHBondContact O-CB 3.28Å
188	C	73.6	Confident	86.8	Confident	62 Å²	62	40 Å²	40	42%	0.419	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.8	175.1	-62.7	0	0	0	0	113.2	F193 Q243	C188-F193 HydrophobicContact CB-CD1 4.43Å; C188-F193 HydrophobicContact CB-CE1 4.14Å; C188-F193 HydrophobicContact CB-CE2 4.45Å; C188-F193 HydrophobicContact CB-CZ 4.16Å; C188-F193 WeakPolarHBondContact SG-CZ 3.35Å; C188-Q243 HydrophobicContact CB-CG 4.41Å
189	A	69.6	Low	86.4	Confident	74 Å²	74	43.8 Å²	43.8	61%	0.612	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.7	174.6	0	0	0	0	0	113.9	S187	S187-A189 PolarHBondContact O-N 3.5Å; S187-A189 VanDerWaalsContact O-N 3.1Å; S187-A189 PolarHBondContact OG-N 2.92Å
190	E	78.5	Confident	86.3	Confident	57 Å²	57	42.6 Å²	42.6	27%	0.266	23%	0.233	S	C	.	.	S	Bend	trans	-77.4	138.7	179.3	-82.2	176.8	-105	0	0	112.2	I186 S187 R192 F193	I186-E190 WeakPolarHBondContact CA-OE1 3.38Å; I186-E190 HydrophobicContact CG2-CB 3.89Å; S187-E190 PolarHBondContact N-OE1 2.67Å; S187-E190 WeakPolarHBondContact O-CB 3.18Å; S187-E190 PolarHBondContact O-N 2.73Å; E190-R192 HydrophobicContact CB-CB 4.41Å; E190-R192 PolarHBondContact O-N 2.84Å; E190-F193 VanDerWaalsContact O-CB 3.23Å; E190-F193 WeakPolarHBondContact O-CB 3.4Å; E190-F193 PolarHBondContact O-N 3.49Å
191	P	78.4	Confident	86	Confident	46 Å²	46	42.9 Å²	42.9	30%	0.299	24%	0.235	S	C	.	.	H	α-helix	trans	-57.6	-24.6	171.3	-24.8	34.4	0	0	0	114	Y76 F193 L194 Q195	Y76-P191 WeakPolarHBondContact O-CG 3.31Å; P191-F193 VanDerWaalsContact C-N 3.35Å; P191-L194 PolarHBondContact O-N 3.49Å; P191-Q195 WeakPolarHBondContact O-CG 3.19Å; P191-Q195 PolarHBondContact O-N 3.29Å; P191-Q195 VanDerWaalsContact O-N 3.1Å
192	R	83.9	Confident	85.6	Confident	116 Å²	116	46 Å²	46	44%	0.438	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-35.2	174.5	-62.7	-178.2	-174.7	171.3	3.4	112.6	I186 E190 L194 Q195 V196	I186-R192 HydrophobicContact CD1-CB 4.22Å; I186-R192 HydrophobicContact CG2-CB 4.06Å; E190-R192 HydrophobicContact CB-CB 4.41Å; E190-R192 PolarHBondContact O-N 2.84Å; R192-L194 VanDerWaalsContact C-N 3.35Å; R192-L194 PolarHBondContact O-N 3.13Å; R192-Q195 WeakPolarHBondContact O-CB 3.47Å; R192-Q195 PolarHBondContact O-N 2.82Å; R192-V196 PolarHBondContact O-N 3.33Å
193	F	86.9	Confident	85.2	Confident	5 Å²	5	48.2 Å²	48.2	2%	0.022	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-48.3	176.8	-170.9	-101.6	0	0	0	110.4	W112 I114 I186 S187 C188 E190 P191 Q195 V196 L197 Q243 I248	W112-F193 AromaticContact CZ3-CE2 3.78Å; W112-F193 HydrophobicContact CZ3-CE2 3.78Å; W112-F193 AromaticContact CZ3-CZ 3.81Å; W112-F193 HydrophobicContact CZ3-CZ 3.81Å; I114-F193 HydrophobicContact CD1-CD2 3.66Å; I114-F193 HydrophobicContact CD1-CE2 3.84Å; I114-F193 HydrophobicContact CD1-CG 4.45Å; I114-F193 HydrophobicContact CG1-CD2 4.49Å; I114-F193 HydrophobicContact CG1-CE2 4.39Å; I186-F193 HydrophobicContact CG2-CB 3.75Å; I186-F193 HydrophobicContact CG2-CD2 4.25Å; S187-F193 WeakPolarHBondContact O-CB 3.28Å; C188-F193 HydrophobicContact CB-CD1 4.43Å; C188-F193 HydrophobicContact CB-CE1 4.14Å; C188-F193 HydrophobicContact CB-CE2 4.45Å; C188-F193 HydrophobicContact CB-CZ 4.16Å; C188-F193 WeakPolarHBondContact SG-CZ 3.35Å; E190-F193 VanDerWaalsContact O-CB 3.23Å; E190-F193 WeakPolarHBondContact O-CB 3.4Å; E190-F193 PolarHBondContact O-N 3.49Å; P191-F193 VanDerWaalsContact C-N 3.35Å; F193-Q195 VanDerWaalsContact C-N 3.35Å; F193-Q195 PolarHBondContact O-N 3.04Å; F193-V196 PolarHBondContact O-N 3.24Å; F193-L197 HydrophobicContact CD1-CD1 3.74Å; F193-L197 HydrophobicContact CD1-CG 4.43Å; F193-L197 HydrophobicContact CE1-CD1 3.52Å; F193-L197 HydrophobicContact CE1-CG 4.38Å; F193-L197 HydrophobicContact CZ-CD1 4.27Å; F193-L197 WeakPolarHBondContact O-CG 3.41Å; F193-L197 PolarHBondContact O-N 3.35Å; F193-Q243 HydrophobicContact CE1-CB 4.26Å; F193-I248 HydrophobicContact CE1-CD1 4.39Å; F193-I248 HydrophobicContact CE1-CG1 4.5Å; F193-I248 HydrophobicContact CZ-CD1 4.08Å
194	L	83.5	Confident	85.1	Confident	8 Å²	8	44.6 Å²	44.6	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-38.4	176.2	-177.9	61	0	0	0	112.3	Y76 Y78 P191 R192 N198 I241 R242	Y76-L194 HydrophobicContact CD1-CD2 3.61Å; Y76-L194 HydrophobicContact CD1-CG 4.41Å; Y76-L194 HydrophobicContact CE1-CD2 3.78Å; Y76-L194 HydrophobicContact CE1-CG 4.26Å; Y76-L194 HydrophobicContact CG-CD2 4.29Å; Y78-L194 HydrophobicContact CE2-CD2 4.35Å; P191-L194 PolarHBondContact O-N 3.49Å; R192-L194 VanDerWaalsContact C-N 3.35Å; R192-L194 PolarHBondContact O-N 3.13Å; L194-N198 VanDerWaalsContact CD1-ND2 3.3Å; L194-N198 WeakPolarHBondContact CD1-ND2 3.1Å; L194-N198 WeakPolarHBondContact O-CB 3.34Å; L194-N198 PolarHBondContact O-N 2.79Å; L194-N198 PolarHBondContact O-ND2 3.12Å; L194-I241 WeakPolarHBondContact CD1-O 3.4Å; L194-R242 HydrophobicContact CD1-CB 4.45Å; L194-R242 HydrophobicContact CD1-CG 3.84Å
195	Q	84.1	Confident	85	Confident	56 Å²	56	44 Å²	44	26%	0.262	22%	0.222	S	C	.	.	H	α-helix	trans	-61.5	-48.8	174.1	-74.1	169.9	-17.2	0	0	111.7	D74 Y76 P191 R192 F193 N198 L199	D74-Q195 PolarHBondContact O-NE2 3.23Å; Y76-Q195 HydrophobicContact CD2-CG 3.61Å; Y76-Q195 HydrophobicContact CE2-CG 3.56Å; P191-Q195 WeakPolarHBondContact O-CG 3.19Å; P191-Q195 PolarHBondContact O-N 3.29Å; P191-Q195 VanDerWaalsContact O-N 3.1Å; R192-Q195 WeakPolarHBondContact O-CB 3.47Å; R192-Q195 PolarHBondContact O-N 2.82Å; F193-Q195 VanDerWaalsContact C-N 3.35Å; F193-Q195 PolarHBondContact O-N 3.04Å; Q195-N198 PolarHBondContact O-N 2.98Å; Q195-L199 WeakPolarHBondContact O-CG 3.15Å; Q195-L199 PolarHBondContact O-N 3.44Å
196	V	89.4	Confident	84.8	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-48.1	178	169.6	0	0	0	0	111.3	I114 L147 F154 I186 R192 F193 N198 L199 I200 W422	I114-V196 HydrophobicContact CD1-CB 4.05Å; I114-V196 HydrophobicContact CD1-CG1 3.68Å; I114-V196 HydrophobicContact CG1-CG1 4.49Å; I114-V196 HydrophobicContact CG2-CG1 4.28Å; L147-V196 HydrophobicContact CD1-CG1 4.06Å; F154-V196 HydrophobicContact CB-CG2 4.21Å; F154-V196 HydrophobicContact CD1-CG2 4.14Å; F154-V196 HydrophobicContact CD2-CG2 3.91Å; F154-V196 HydrophobicContact CE2-CG2 4.32Å; F154-V196 HydrophobicContact CG-CG2 3.81Å; I186-V196 HydrophobicContact CD1-CG2 4.28Å; R192-V196 PolarHBondContact O-N 3.33Å; F193-V196 PolarHBondContact O-N 3.24Å; V196-N198 VanDerWaalsContact C-N 3.31Å; V196-N198 PolarHBondContact O-N 3.48Å; V196-L199 WeakPolarHBondContact O-CB 3.39Å; V196-L199 PolarHBondContact O-N 3.26Å; V196-I200 HydrophobicContact CG1-CD1 3.74Å; V196-I200 HydrophobicContact CG1-CG1 4.3Å; V196-I200 WeakPolarHBondContact O-CG1 3.41Å; V196-I200 PolarHBondContact O-N 3.46Å; V196-W422 HydrophobicContact CG1-CH2 4.06Å; V196-W422 HydrophobicContact CG1-CZ3 4.11Å
197	L	89.9	Confident	84.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.8	-42.4	176.3	-73.1	179.6	0	0	0	112.5	W112 F193 L199 I200 L201 I241 I248 M424	W112-L197 HydrophobicContact CH2-CD2 3.91Å; F193-L197 HydrophobicContact CD1-CD1 3.74Å; F193-L197 HydrophobicContact CD1-CG 4.43Å; F193-L197 HydrophobicContact CE1-CD1 3.52Å; F193-L197 HydrophobicContact CE1-CG 4.38Å; F193-L197 HydrophobicContact CZ-CD1 4.27Å; F193-L197 WeakPolarHBondContact O-CG 3.41Å; F193-L197 PolarHBondContact O-N 3.35Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 2.7Å; L197-I200 HydrophobicContact CD2-CD1 4.49Å; L197-I200 PolarHBondContact O-N 2.75Å; L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 PolarHBondContact O-N 3.4Å; L197-I241 HydrophobicContact CB-CD1 3.99Å; L197-I241 HydrophobicContact CB-CG1 4.15Å; L197-I241 HydrophobicContact CB-CG2 4.02Å; L197-I241 HydrophobicContact CD1-CG1 4.36Å; L197-I241 HydrophobicContact CD2-CD1 4.06Å; L197-I241 HydrophobicContact CG-CD1 4.42Å; L197-I248 HydrophobicContact CD1-CD1 4.28Å; L197-I248 HydrophobicContact CD1-CG1 4.43Å; L197-I248 HydrophobicContact CD1-CG2 3.98Å; L197-I248 HydrophobicContact CD2-CD1 4.21Å; L197-I248 HydrophobicContact CD2-CG2 4.43Å; L197-M424 HydrophobicContact CD2-CE 3.82Å; L197-M424 HydrophobicContact CD2-SD 4.37Å
198	N	87.8	Confident	85.2	Confident	23 Å²	23	46 Å²	46	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-68.1	-30.5	176.4	-83.1	-88.8	0	0	0	112.9	L194 Q195 V196 R202 I241	L194-N198 VanDerWaalsContact CD1-ND2 3.3Å; L194-N198 WeakPolarHBondContact CD1-ND2 3.1Å; L194-N198 WeakPolarHBondContact O-CB 3.34Å; L194-N198 PolarHBondContact O-N 2.79Å; L194-N198 PolarHBondContact O-ND2 3.12Å; Q195-N198 PolarHBondContact O-N 2.98Å; V196-N198 VanDerWaalsContact C-N 3.31Å; V196-N198 PolarHBondContact O-N 3.48Å; N198-R202 VanDerWaalsContact O-CB 3.27Å; N198-R202 WeakPolarHBondContact O-CB 3.42Å; N198-R202 WeakPolarHBondContact O-CD 3.28Å; N198-R202 WeakPolarHBondContact O-CG 3.41Å; N198-R202 PolarHBondContact O-N 3Å; N198-I241 HydrophobicContact CB-CG2 4.46Å; N198-I241 PolarHBondContact ND2-O 2.63Å
199	L	86.6	Confident	85.9	Confident	80 Å²	80	47.2 Å²	47.2	42%	0.419	23%	0.232	S	C	.	.	H	α-helix	trans	-73	-40.3	174	-72	170.3	0	0	0	112.3	L147 Q195 V196 L197 R202 R203	L147-L199 HydrophobicContact CD1-CB 3.49Å; L147-L199 VanDerWaalsContact CD1-CB 3.49Å; L147-L199 HydrophobicContact CD1-CD1 4.06Å; L147-L199 HydrophobicContact CD1-CG 4.43Å; L147-L199 HydrophobicContact CD2-CB 4.25Å; Q195-L199 WeakPolarHBondContact O-CG 3.15Å; Q195-L199 PolarHBondContact O-N 3.44Å; V196-L199 WeakPolarHBondContact O-CB 3.39Å; V196-L199 PolarHBondContact O-N 3.26Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 2.7Å; L199-R202 PolarHBondContact O-N 3.24Å; L199-R203 WeakPolarHBondContact O-CB 3.42Å; L199-R203 PolarHBondContact O-N 3.21Å
200	I	90	Very high	86.8	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-50.6	172.3	-63.2	162.7	0	0	0	109.7	L147 V196 L197 R202 R203 S204 V418 L419 W422 M424	L147-I200 HydrophobicContact CD1-CG1 4.28Å; V196-I200 HydrophobicContact CG1-CD1 3.74Å; V196-I200 HydrophobicContact CG1-CG1 4.3Å; V196-I200 WeakPolarHBondContact O-CG1 3.41Å; V196-I200 PolarHBondContact O-N 3.46Å; L197-I200 HydrophobicContact CD2-CD1 4.49Å; L197-I200 PolarHBondContact O-N 2.75Å; I200-R202 PolarHBondContact O-N 3.15Å; I200-R203 WeakPolarHBondContact O-CB 3.39Å; I200-R203 PolarHBondContact O-N 2.77Å; I200-R203 VanDerWaalsContact O-N 3.09Å; I200-S204 PolarHBondContact O-N 3.22Å; I200-V418 HydrophobicContact CG2-CG1 4.42Å; I200-L419 HydrophobicContact CG2-CD2 4.25Å; I200-W422 HydrophobicContact CD1-CD2 3.44Å; I200-W422 VanDerWaalsContact CD1-CD2 3.44Å; I200-W422 HydrophobicContact CD1-CE3 3.41Å; I200-W422 VanDerWaalsContact CD1-CE3 3.41Å; I200-W422 HydrophobicContact CD1-CG 3.96Å; I200-W422 HydrophobicContact CD1-CH2 4.24Å; I200-W422 HydrophobicContact CD1-CZ2 4.26Å; I200-W422 HydrophobicContact CD1-CZ3 3.83Å; I200-W422 HydrophobicContact CG1-CD2 3.79Å; I200-W422 HydrophobicContact CG1-CE3 4.22Å; I200-W422 HydrophobicContact CG1-CG 4.12Å; I200-W422 HydrophobicContact CG1-CZ2 4.16Å; I200-W422 HydrophobicContact CG2-CG 4.23Å; I200-M424 HydrophobicContact CD1-SD 4.46Å; I200-M424 HydrophobicContact CG2-SD 4.49Å
201	L	88.9	Confident	87.1	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-49.2	177.8	-172.1	74.8	0	0	0	111.5	L197 R203 S204 M205 I241 L250	L197-L201 WeakPolarHBondContact O-CB 3.37Å; L197-L201 PolarHBondContact O-N 3.4Å; L201-R203 PolarHBondContact O-N 2.85Å; L201-S204 PolarHBondContact O-N 3.1Å; L201-M205 HydrophobicContact CD1-CE 3.57Å; L201-M205 HydrophobicContact CD1-CG 4.48Å; L201-M205 HydrophobicContact CG-CE 4.11Å; L201-M205 HydrophobicContact CG-CG 4.21Å; L201-M205 WeakPolarHBondContact O-CB 3.49Å; L201-M205 WeakPolarHBondContact O-CG 3.49Å; L201-M205 PolarHBondContact O-N 2.96Å; L201-I241 HydrophobicContact CB-CG2 3.98Å; L201-I241 HydrophobicContact CD2-CB 4.03Å; L201-I241 HydrophobicContact CD2-CG2 3.79Å; L201-I241 HydrophobicContact CG-CG2 4.43Å; L201-L250 HydrophobicContact CD1-CD1 3.66Å; L201-L250 HydrophobicContact CD1-CD2 3.78Å; L201-L250 HydrophobicContact CD1-CG 4.33Å; L201-L250 HydrophobicContact CD2-CD1 3.7Å; L201-L250 HydrophobicContact CG-CD1 4.34Å
202	R	86	Confident	87.2	Confident	133 Å²	133	47.2 Å²	47.2	50%	0.502	22%	0.219	S	C	.	.	H	α-helix	trans	-60.8	-30.1	176.4	-76.3	170.8	-177.5	-177	3.8	112.8	N198 L199 I200 K206	N198-R202 VanDerWaalsContact O-CB 3.27Å; N198-R202 WeakPolarHBondContact O-CB 3.42Å; N198-R202 WeakPolarHBondContact O-CD 3.28Å; N198-R202 WeakPolarHBondContact O-CG 3.41Å; N198-R202 PolarHBondContact O-N 3Å; L199-R202 PolarHBondContact O-N 3.24Å; I200-R202 PolarHBondContact O-N 3.15Å; R202-K206 WeakPolarHBondContact O-CG 3.32Å
203	R	87.3	Confident	86.9	Confident	100 Å²	100	42 Å²	42	38%	0.377	20%	0.2	S	C	.	.	H	α-helix	trans	-74.7	-41.4	175.3	-174.1	-178.6	174.3	169.5	-5.2	111.4	Y146 L199 I200 L201 V418	Y146-R203 PolarHBondContact O-NH1 3.46Å; L199-R203 WeakPolarHBondContact O-CB 3.42Å; L199-R203 PolarHBondContact O-N 3.21Å; I200-R203 WeakPolarHBondContact O-CB 3.39Å; I200-R203 PolarHBondContact O-N 2.77Å; I200-R203 VanDerWaalsContact O-N 3.09Å; L201-R203 PolarHBondContact O-N 2.85Å; R203-V418 HydrophobicContact CB-CG1 3.89Å; R203-V418 HydrophobicContact CG-CG1 3.82Å; R203-V418 HydrophobicContact CG-CG2 3.9Å
204	S	90.5	Very high	86.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-48.2	175.5	178.7	0	0	0	0	111.2	I200 L201 K206 G207 S415	I200-S204 PolarHBondContact O-N 3.22Å; L201-S204 PolarHBondContact O-N 3.1Å; S204-K206 PolarHBondContact O-N 3.49Å; S204-G207 PolarHBondContact O-N 3.43Å; S204-S415 WeakPolarHBondContact O-CB 3.22Å; S204-S415 PolarHBondContact O-OG 2.66Å; S204-S415 PolarHBondContact OG-O 2.76Å
205	M	89.3	Confident	85.8	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.025	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-18.9	-179.5	-68.2	-69.2	168.2	0	0	114.7	L201 G207 L208 L217 T239 L250 F405 L409	L201-M205 HydrophobicContact CD1-CE 3.57Å; L201-M205 HydrophobicContact CD1-CG 4.48Å; L201-M205 HydrophobicContact CG-CE 4.11Å; L201-M205 HydrophobicContact CG-CG 4.21Å; L201-M205 WeakPolarHBondContact O-CB 3.49Å; L201-M205 WeakPolarHBondContact O-CG 3.49Å; L201-M205 PolarHBondContact O-N 2.96Å; M205-G207 VanDerWaalsContact C-N 3.28Å; M205-G207 PolarHBondContact O-N 3.32Å; M205-L208 WeakPolarHBondContact O-CB 3.4Å; M205-L208 PolarHBondContact O-N 2.93Å; M205-L208 HydrophobicContact SD-CD1 3.86Å; M205-L217 HydrophobicContact CB-CD1 3.65Å; M205-L217 HydrophobicContact CG-CD1 3.71Å; M205-L217 HydrophobicContact SD-CD1 3.91Å; M205-T239 HydrophobicContact CE-CG2 4.13Å; M205-L250 HydrophobicContact CE-CD2 4.13Å; M205-F405 HydrophobicContact CE-CE1 4.36Å; M205-F405 HydrophobicContact CE-CZ 3.78Å; M205-F405 HydrophobicContact SD-CE2 4.42Å; M205-F405 HydrophobicContact SD-CZ 3.87Å; M205-L409 HydrophobicContact CE-CD1 4.38Å; M205-L409 HydrophobicContact CE-CD2 3.62Å; M205-L409 HydrophobicContact SD-CD1 4.12Å; M205-L409 HydrophobicContact SD-CD2 4.33Å
206	K	87.1	Confident	85.9	Confident	163 Å²	163	52.2 Å²	52.2	71%	0.709	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-31.1	172.5	-76.6	175.9	-178.4	-174	0	112.8	R202 S204 L208 N209	R202-K206 WeakPolarHBondContact O-CG 3.32Å; S204-K206 PolarHBondContact O-N 3.49Å; K206-L208 PolarHBondContact O-N 2.66Å; K206-N209 PolarHBondContact O-N 3.03Å
207	G	88.3	Confident	85.9	Confident	22 Å²	22	53 Å²	53	23%	0.227	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.5	176.8	0	0	0	0	0	112.2	S204 M205 N209 T412 S415	S204-G207 PolarHBondContact O-N 3.43Å; M205-G207 VanDerWaalsContact C-N 3.28Å; M205-G207 PolarHBondContact O-N 3.32Å; G207-N209 PolarHBondContact O-N 3.32Å; G207-N209 VanDerWaalsContact O-N 3.08Å; G207-T412 WeakPolarHBondContact O-CG2 3.36Å; G207-S415 WeakPolarHBondContact CA-OG 3.02Å
208	L	88.9	Confident	85.9	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.026	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.6	176.1	-65.1	-173.7	0	0	0	114.7	M205 K206 L210 F405 R408 L409 S415	M205-L208 WeakPolarHBondContact O-CB 3.4Å; M205-L208 PolarHBondContact O-N 2.93Å; M205-L208 HydrophobicContact SD-CD1 3.86Å; K206-L208 PolarHBondContact O-N 2.66Å; L208-L210 VanDerWaalsContact C-N 3.33Å; L208-L210 HydrophobicContact CB-CD1 3.92Å; L208-L210 HydrophobicContact CB-CG 3.8Å; L208-L210 HydrophobicContact CD1-CD1 3.72Å; L208-L210 PolarHBondContact O-N 3.13Å; L208-F405 HydrophobicContact CD1-CD2 4.45Å; L208-F405 HydrophobicContact CD1-CE2 3.7Å; L208-F405 HydrophobicContact CD1-CZ 4.32Å; L208-R408 HydrophobicContact CD2-CG 3.79Å; L208-R408 PolarHBondContact O-NH2 2.82Å; L208-L409 HydrophobicContact CD1-CD1 3.88Å; L208-L409 HydrophobicContact CD2-CB 4.31Å; L208-L409 HydrophobicContact CD2-CD1 4.06Å; L208-L409 HydrophobicContact CG-CD1 3.84Å; L208-S415 PolarHBondContact N-OG 2.74Å
209	N	89.1	Confident	85.9	Confident	89 Å²	89	52.7 Å²	52.7	48%	0.476	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	46.3	-177.9	-154	-12.3	0	0	0	112.6	K206 G207 R221	K206-N209 PolarHBondContact O-N 3.03Å; G207-N209 PolarHBondContact O-N 3.32Å; G207-N209 VanDerWaalsContact O-N 3.08Å; N209-R221 PolarHBondContact ND2-NH2 3.38Å; N209-R221 PolarHBondContact OD1-NH2 3.26Å
210	L	88.9	Confident	85.8	Confident	18 Å²	18	50.4 Å²	50.4	9%	0.094	25%	0.246	C	C	.	.			trans	-100.1	147	177.4	-64.2	176.6	0	0	0	111.4	L208 L217 D219 Y237	L208-L210 VanDerWaalsContact C-N 3.33Å; L208-L210 HydrophobicContact CB-CD1 3.92Å; L208-L210 HydrophobicContact CB-CG 3.8Å; L208-L210 HydrophobicContact CD1-CD1 3.72Å; L208-L210 PolarHBondContact O-N 3.13Å; L210-L217 HydrophobicContact CB-CB 4.08Å; L210-L217 HydrophobicContact CB-CD2 4.39Å; L210-L217 HydrophobicContact CD1-CB 3.98Å; L210-D219 HydrophobicContact CD2-CB 3.56Å; L210-D219 WeakPolarHBondContact CD2-OD2 3.36Å; L210-Y237 HydrophobicContact CD1-CD2 4.11Å; L210-Y237 HydrophobicContact CD1-CE2 4.46Å
211	E	84.5	Confident	85.5	Confident	61 Å²	61	59 Å²	59	29%	0.285	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.5	-179	-69	-62.2	165.8	0	0	112.3	V213 L217 F218 P220 N297	E211-V213 HydrophobicContact CB-CG2 4.43Å; E211-V213 PolarHBondContact O-N 3.47Å; E211-L217 CarbonylContact O-C 3.56Å; E211-L217 WeakPolarHBondContact O-CA 3.44Å; E211-F218 PolarHBondContact N-O 3.23Å; E211-F218 PolarHBondContact O-N 2.97Å; E211-P220 HydrophobicContact CB-CG 4.1Å; E211-P220 HydrophobicContact CG-CG 3.51Å; E211-N297 HydrophobicContact CB-CB 4.25Å; E211-N297 HydrophobicContact CG-CB 4.17Å; E211-N297 WeakPolarHBondContact CG-ND2 3.49Å; E211-N297 PolarHBondContact OE1-ND2 2.98Å; E211-N297 VanDerWaalsContact OE1-ND2 3.11Å; E211-N297 WeakPolarHBondContact OE2-CB 3.46Å; E211-N297 PolarHBondContact OE2-ND2 3.07Å
212	L	81.2	Confident	85.3	Confident	98 Å²	98	61 Å²	61	51%	0.513	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	91.3	179.4	-179.6	62.7	0	0	0	111	G214 L217	L212-G214 PolarHBondContact O-N 3.34Å; L212-L217 HydrophobicContact CB-CD2 4.28Å; L212-L217 HydrophobicContact CD1-CD2 4.13Å
213	V	77.4	Confident	85.4	Confident	6 Å²	6	58.2 Å²	58.2	4%	0.036	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	90.1	179.1	-169.6	0	0	0	0	109.8	E211 R215 N216 F218 W234 K257 L292 T299	E211-V213 HydrophobicContact CB-CG2 4.43Å; E211-V213 PolarHBondContact O-N 3.47Å; V213-R215 PolarHBondContact O-N 2.9Å; V213-N216 PolarHBondContact N-O 3.39Å; V213-F218 HydrophobicContact CB-CD2 3.6Å; V213-F218 HydrophobicContact CB-CE2 3.84Å; V213-F218 HydrophobicContact CG2-CD2 3.79Å; V213-W234 HydrophobicContact CG2-CZ3 4.46Å; V213-K257 HydrophobicContact CG1-CD 4.03Å; V213-L292 HydrophobicContact CG1-CD1 4.08Å; V213-T299 HydrophobicContact CG1-CG2 3.63Å
214	G	74.9	Confident	85.5	Confident	54 Å²	54	56 Å²	56	56%	0.557	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-94.8	-177.3	0	0	0	0	0	111.8	L212	L212-G214 PolarHBondContact O-N 3.34Å
215	R	72.4	Confident	85.4	Confident	207 Å²	207	59.6 Å²	59.6	78%	0.781	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-11.7	176.7	-69.8	-176.2	175.3	175.9	-2.9	114.1	V213	V213-R215 PolarHBondContact O-N 2.9Å
216	N	86.4	Confident	85.4	Confident	22 Å²	22	60 Å²	60	12%	0.118	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	152.9	-169.9	-59.1	1.2	0	0	0	110.3	V213 F218 E238 T255	V213-N216 PolarHBondContact N-O 3.39Å; N216-F218 HydrophobicContact CB-CD2 4.46Å; N216-F218 HydrophobicContact CB-CE2 3.61Å; N216-F218 HydrophobicContact CB-CZ 3.84Å; N216-F218 WeakPolarHBondContact O-CD2 3.29Å; N216-E238 PolarHBondContact ND2-OE2 3.18Å; N216-E238 WeakPolarHBondContact OD1-CG 3.27Å; N216-T255 HydrophobicContact CB-CG2 4.21Å
217	L	88.4	Confident	85.3	Confident	19 Å²	19	61.6 Å²	61.6	10%	0.099	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.7	-175.9	-64.5	164.6	0	0	0	109.5	M205 L210 E211 L212 G236 Y237	M205-L217 HydrophobicContact CB-CD1 3.65Å; M205-L217 HydrophobicContact CG-CD1 3.71Å; M205-L217 HydrophobicContact SD-CD1 3.91Å; L210-L217 HydrophobicContact CB-CB 4.08Å; L210-L217 HydrophobicContact CB-CD2 4.39Å; L210-L217 HydrophobicContact CD1-CB 3.98Å; E211-L217 CarbonylContact O-C 3.56Å; E211-L217 WeakPolarHBondContact O-CA 3.44Å; L212-L217 HydrophobicContact CB-CD2 4.28Å; L212-L217 HydrophobicContact CD1-CD2 4.13Å; L217-G236 CarbonylContact O-C 3.47Å; L217-G236 WeakPolarHBondContact O-CA 3.28Å; L217-Y237 PolarHBondContact N-O 3.4Å; L217-Y237 PolarHBondContact O-N 3.3Å
218	F	89.5	Confident	85.2	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.026	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	156.2	-179.2	-63.3	-86.2	0	0	0	111.4	E211 V213 N216 P220 W234 P235 T255 K257	E211-F218 PolarHBondContact N-O 3.23Å; E211-F218 PolarHBondContact O-N 2.97Å; V213-F218 HydrophobicContact CB-CD2 3.6Å; V213-F218 HydrophobicContact CB-CE2 3.84Å; V213-F218 HydrophobicContact CG2-CD2 3.79Å; N216-F218 HydrophobicContact CB-CD2 4.46Å; N216-F218 HydrophobicContact CB-CE2 3.61Å; N216-F218 HydrophobicContact CB-CZ 3.84Å; N216-F218 WeakPolarHBondContact O-CD2 3.29Å; F218-P220 WeakPolarHBondContact O-CD 3.47Å; F218-W234 HydrophobicContact CB-CB 4.38Å; F218-W234 HydrophobicContact CB-CE3 4.4Å; F218-W234 WeakPolarHBondContact CD1-O 3.4Å; F218-P235 WeakPolarHBondContact CA-O 3.15Å; F218-T255 HydrophobicContact CE1-CG2 3.76Å; F218-T255 HydrophobicContact CZ-CG2 3.9Å; F218-K257 HydrophobicContact CD1-CB 3.78Å; F218-K257 HydrophobicContact CE1-CB 3.62Å; F218-K257 HydrophobicContact CE2-CB 4.37Å; F218-K257 HydrophobicContact CE2-CD 4.38Å; F218-K257 HydrophobicContact CG-CB 4.25Å; F218-K257 HydrophobicContact CZ-CB 3.93Å; F218-K257 HydrophobicContact CZ-CD 4.3Å
219	D	88.9	Confident	85	Confident	11 Å²	11	70.4 Å²	70.4	6%	0.059	34%	0.337	C	S	.	.			trans	-111	100.1	175.3	-162.1	-45.1	0	0	0	109.6	L210 R221 A222 P235 R408	L210-D219 HydrophobicContact CD2-CB 3.56Å; L210-D219 WeakPolarHBondContact CD2-OD2 3.36Å; D219-R221 PolarHBondContact O-N 2.77Å; D219-R221 WeakPolarHBondContact OD1-CA 3.44Å; D219-R221 WeakPolarHBondContact OD1-CB 3.46Å; D219-R221 PolarHBondContact OD1-N 2.88Å; D219-A222 HydrophobicContact CB-CB 4.06Å; D219-A222 PolarHBondContact O-N 2.83Å; D219-A222 PolarHBondContact OD1-N 2.88Å; D219-P235 PolarHBondContact N-O 3.44Å; D219-R408 IonicContact OD2-CZ 2.63Å; D219-R408 VanDerWaalsContact OD2-CZ 3.32Å; D219-R408 IonicContact OD2-NH1 2.66Å; D219-R408 PolarHBondContact OD2-NH1 2.81Å; D219-R408 IonicContact OD2-NH2 3.09Å; D219-R408 PolarHBondContact OD2-NH2 2.87Å
220	P	84	Confident	84.9	Confident	32 Å²	32	73.4 Å²	73.4	21%	0.208	35%	0.346	C	S	.	.	S	Bend	trans	-69.6	-19.3	177.9	-12.7	26	0	0	0	112.9	E211 F218 K223 W234	E211-P220 HydrophobicContact CB-CG 4.1Å; E211-P220 HydrophobicContact CG-CG 3.51Å; F218-P220 WeakPolarHBondContact O-CD 3.47Å; P220-K223 WeakPolarHBondContact O-CB 3.42Å; P220-K223 WeakPolarHBondContact O-CG 3.22Å; P220-K223 PolarHBondContact O-N 3.32Å; P220-W234 HydrophobicContact CB-CD2 4.12Å; P220-W234 HydrophobicContact CB-CE3 4.03Å; P220-W234 HydrophobicContact CB-CH2 3.95Å; P220-W234 HydrophobicContact CB-CZ2 4.05Å; P220-W234 HydrophobicContact CB-CZ3 3.96Å; P220-W234 HydrophobicContact CG-CD2 4.49Å; P220-W234 HydrophobicContact CG-CE3 3.92Å; P220-W234 HydrophobicContact CG-CH2 4.11Å; P220-W234 HydrophobicContact CG-CZ3 3.72Å
221	R	83.8	Confident	84.8	Confident	180 Å²	180	73 Å²	73	68%	0.679	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-34.9	180	-49.9	180	-168	164.8	9.2	110.1	N209 D219 K223	N209-R221 PolarHBondContact ND2-NH2 3.38Å; N209-R221 PolarHBondContact OD1-NH2 3.26Å; D219-R221 PolarHBondContact O-N 2.77Å; D219-R221 WeakPolarHBondContact OD1-CA 3.44Å; D219-R221 WeakPolarHBondContact OD1-CB 3.46Å; D219-R221 PolarHBondContact OD1-N 2.88Å; R221-K223 PolarHBondContact O-N 3.43Å
222	A	84.8	Confident	85.1	Confident	50 Å²	50	70.6 Å²	70.6	41%	0.413	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	24.2	171.3	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 2.88Å; A222-P235 HydrophobicContact CB-CG 3.83Å; A222-P235 WeakPolarHBondContact O-CD 3.48Å; A222-P235 VanDerWaalsContact O-CG 3.27Å; A222-P235 WeakPolarHBondContact O-CG 2.96Å
223	K	87.9	Confident	85.5	Confident	75 Å²	75	66 Å²	66	33%	0.326	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-60.9	141.4	179.2	65.2	165	-178.3	156.9	0	112.3	P220 R221 E225 E232 W234	P220-K223 WeakPolarHBondContact O-CB 3.42Å; P220-K223 WeakPolarHBondContact O-CG 3.22Å; P220-K223 PolarHBondContact O-N 3.32Å; R221-K223 PolarHBondContact O-N 3.43Å; K223-E225 WeakPolarHBondContact CE-OE1 3.47Å; K223-E225 IonicContact NZ-OE1 2.98Å; K223-E225 PolarHBondContact NZ-OE1 2.89Å; K223-E232 HydrophobicContact CD-CG 3.98Å; K223-E232 WeakPolarHBondContact CD-OE2 3.13Å; K223-E232 VanDerWaalsContact NZ-CD 3.29Å; K223-E232 IonicContact NZ-OE1 2.73Å; K223-E232 PolarHBondContact NZ-OE1 3.15Å; K223-E232 IonicContact NZ-OE2 3.99Å; K223-E232 PolarHBondContact NZ-OE2 2.83Å; K223-W234 HydrophobicContact CB-CG 4.46Å
224	I	88.6	Confident	86.1	Confident	53 Å²	53	66.1 Å²	66.1	27%	0.272	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119	172.7	-60.9	174.2	0	0	0	108.2	E232 L233 Y390	I224-E232 CarbonylContact O-C 3.58Å; I224-E232 WeakPolarHBondContact O-CA 3.38Å; I224-L233 HydrophobicContact CB-CB 4.36Å; I224-L233 HydrophobicContact CD1-CD2 4.34Å; I224-L233 PolarHBondContact N-O 3.15Å; I224-L233 PolarHBondContact O-N 3.5Å; I224-Y390 HydrophobicContact CD1-CD1 3.9Å; I224-Y390 HydrophobicContact CD1-CE1 4.45Å; I224-Y390 HydrophobicContact CD1-CG 4.4Å; I224-Y390 HydrophobicContact CG2-CD1 4.07Å; I224-Y390 HydrophobicContact CG2-CD2 4.36Å; I224-Y390 HydrophobicContact CG2-CE1 3.87Å; I224-Y390 HydrophobicContact CG2-CE2 4.16Å; I224-Y390 HydrophobicContact CG2-CG 4.32Å
225	E	89.1	Confident	86.8	Confident	76 Å²	76	64.9 Å²	64.9	36%	0.355	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.9	177.5	-58.8	-165.2	153.7	0	0	111.4	K223 R227 E232	K223-E225 WeakPolarHBondContact CE-OE1 3.47Å; K223-E225 IonicContact NZ-OE1 2.98Å; K223-E225 PolarHBondContact NZ-OE1 2.89Å; E225-R227 HydrophobicContact CB-CG 4.14Å; E225-R227 IonicContact OE2-CZ 2.75Å; E225-R227 VanDerWaalsContact OE2-CZ 3.22Å; E225-R227 IonicContact OE2-NE 3.82Å; E225-R227 PolarHBondContact OE2-NE 3.43Å; E225-R227 IonicContact OE2-NH2 2.69Å; E225-R227 PolarHBondContact OE2-NH2 2.75Å; E225-E232 HydrophobicContact CG-CG 4.29Å
226	I	88.4	Confident	87.7	Confident	13 Å²	13	55 Å²	55	7%	0.067	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	74.6	173.1	-49.3	-179.2	0	0	0	107.2	E228 F229 K230 M231 A386 M387 Y390	I226-E228 VanDerWaalsContact C-N 3.32Å; I226-E228 PolarHBondContact O-N 3.29Å; I226-F229 HydrophobicContact CG2-CD2 3.85Å; I226-F229 PolarHBondContact O-N 3.32Å; I226-F229 VanDerWaalsContact O-N 3.15Å; I226-K230 PolarHBondContact O-N 2.76Å; I226-M231 HydrophobicContact CB-CB 4.49Å; I226-M231 PolarHBondContact N-O 3.35Å; I226-M231 PolarHBondContact O-N 2.97Å; I226-A386 HydrophobicContact CG2-CB 4.49Å; I226-M387 HydrophobicContact CD1-CG 3.85Å; I226-Y390 HydrophobicContact CD1-CD2 4.08Å; I226-Y390 HydrophobicContact CD1-CE2 4.22Å; I226-Y390 HydrophobicContact CG1-CE2 4.29Å
227	R	85.4	Confident	87.9	Confident	196 Å²	196	55.6 Å²	55.6	74%	0.74	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-59	-39.6	-168.9	-65.6	-176.9	176	-179.9	-1.9	113.2	E225 F229 K230	E225-R227 HydrophobicContact CB-CG 4.14Å; E225-R227 IonicContact OE2-CZ 2.75Å; E225-R227 VanDerWaalsContact OE2-CZ 3.22Å; E225-R227 IonicContact OE2-NE 3.82Å; E225-R227 PolarHBondContact OE2-NE 3.43Å; E225-R227 IonicContact OE2-NH2 2.69Å; E225-R227 PolarHBondContact OE2-NH2 2.75Å; R227-F229 PolarHBondContact O-N 3.01Å; R227-K230 PolarHBondContact O-N 3.2Å; R227-K230 VanDerWaalsContact O-N 3.08Å
228	E	86.2	Confident	88.1	Confident	165 Å²	165	57.5 Å²	57.5	77%	0.771	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-47.4	-35.7	175.1	-65.8	170.8	-166.4	0	0	113.7	I226	I226-E228 VanDerWaalsContact C-N 3.32Å; I226-E228 PolarHBondContact O-N 3.29Å
229	F	85.4	Confident	88	Confident	47 Å²	47	58.6 Å²	58.6	21%	0.206	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-117.4	16.4	-175.8	-56.6	-78.7	0	0	0	113.2	I226 R227 M231 Q382 L383 A386	I226-F229 HydrophobicContact CG2-CD2 3.85Å; I226-F229 PolarHBondContact O-N 3.32Å; I226-F229 VanDerWaalsContact O-N 3.15Å; R227-F229 PolarHBondContact O-N 3.01Å; F229-M231 VanDerWaalsContact C-N 3.33Å; F229-M231 HydrophobicContact CB-CE 3.73Å; F229-M231 WeakPolarHBondContact O-CE 3.12Å; F229-M231 PolarHBondContact O-N 2.81Å; F229-Q382 HydrophobicContact CE1-CB 4.42Å; F229-Q382 HydrophobicContact CZ-CB 3.93Å; F229-L383 HydrophobicContact CB-CD1 3.83Å; F229-L383 HydrophobicContact CD1-CB 3.84Å; F229-L383 HydrophobicContact CD1-CD1 4.32Å; F229-L383 HydrophobicContact CD1-CG 4.49Å; F229-L383 HydrophobicContact CD2-CB 4.45Å; F229-L383 HydrophobicContact CD2-CD1 4.11Å; F229-L383 HydrophobicContact CE1-CB 3.89Å; F229-L383 HydrophobicContact CG-CB 4.15Å; F229-L383 HydrophobicContact CG-CD1 3.83Å; F229-L383 HydrophobicContact CG-CG 4.47Å; F229-L383 HydrophobicContact CZ-CB 4.24Å; F229-A386 HydrophobicContact CD2-CB 4.38Å; F229-A386 HydrophobicContact CE2-CB 3.94Å
230	K	86.7	Confident	88	Confident	153 Å²	153	59.9 Å²	59.9	67%	0.665	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	49.3	-178.3	-60.7	-173.9	178.8	-175.9	0	113.2	I226 R227 T261	I226-K230 PolarHBondContact O-N 2.76Å; R227-K230 PolarHBondContact O-N 3.2Å; R227-K230 VanDerWaalsContact O-N 3.08Å; K230-T261 WeakPolarHBondContact O-CB 3.35Å; K230-T261 PolarHBondContact O-N 3.41Å; K230-T261 PolarHBondContact O-OG1 3.19Å
231	M	87.8	Confident	88.2	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.4	179.9	-85.5	176.5	-100.2	0	0	113.3	I226 F229 V258 M259 R260 L373 M377 L383 M387	I226-M231 HydrophobicContact CB-CB 4.49Å; I226-M231 PolarHBondContact N-O 3.35Å; I226-M231 PolarHBondContact O-N 2.97Å; F229-M231 VanDerWaalsContact C-N 3.33Å; F229-M231 HydrophobicContact CB-CE 3.73Å; F229-M231 WeakPolarHBondContact O-CE 3.12Å; F229-M231 PolarHBondContact O-N 2.81Å; M231-V258 HydrophobicContact SD-CG1 3.89Å; M231-M259 CarbonylContact C-O 3.52Å; M231-M259 WeakPolarHBondContact CA-O 3.28Å; M231-M259 WeakPolarHBondContact CG-O 3.47Å; M231-R260 HydrophobicContact CG-CG 4.38Å; M231-L373 HydrophobicContact CE-CD2 4.5Å; M231-L373 HydrophobicContact SD-CD2 3.74Å; M231-M377 HydrophobicContact CE-CE 3.32Å; M231-M377 HydrophobicContact SD-CE 3.6Å; M231-M377 VanDerWaalsContact SD-CE 3.6Å; M231-L383 HydrophobicContact CE-CD1 3.39Å; M231-L383 HydrophobicContact CE-CD2 3.63Å; M231-L383 HydrophobicContact CE-CG 4.16Å; M231-L383 HydrophobicContact SD-CD1 4.1Å; M231-M387 HydrophobicContact SD-SD 4.27Å
232	E	89.8	Confident	88.3	Confident	11 Å²	11	52.8 Å²	52.8	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	148.2	167.1	-75.1	167.1	-138.1	0	0	109.2	K223 I224 E225 W234 M259 R369	K223-E232 HydrophobicContact CD-CG 3.98Å; K223-E232 WeakPolarHBondContact CD-OE2 3.13Å; K223-E232 VanDerWaalsContact NZ-CD 3.29Å; K223-E232 IonicContact NZ-OE1 2.73Å; K223-E232 PolarHBondContact NZ-OE1 3.15Å; K223-E232 IonicContact NZ-OE2 3.99Å; K223-E232 PolarHBondContact NZ-OE2 2.83Å; I224-E232 CarbonylContact O-C 3.58Å; I224-E232 WeakPolarHBondContact O-CA 3.38Å; E225-E232 HydrophobicContact CG-CG 4.29Å; E232-W234 PolarHBondContact OE2-NE1 3.04Å; E232-W234 VanDerWaalsContact OE2-NE1 3.13Å; E232-M259 HydrophobicContact CB-CB 4.05Å; E232-M259 PolarHBondContact N-O 2.76Å; E232-M259 PolarHBondContact O-N 3.07Å; E232-M259 VanDerWaalsContact O-O 3.06Å; E232-R369 IonicContact OE1-CZ 2.9Å; E232-R369 IonicContact OE1-NH1 2.79Å; E232-R369 IonicContact OE1-NH2 2.82Å; E232-R369 PolarHBondContact OE1-NH2 2.71Å; E232-R369 IonicContact OE2-CZ 3.69Å; E232-R369 IonicContact OE2-NH1 3.85Å; E232-R369 IonicContact OE2-NH2 3.52Å; E232-R369 PolarHBondContact OE2-NH2 3.18Å
233	L	89.4	Confident	88.3	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	106.9	176.4	-177.4	165.1	0	0	0	107	I224 H256 K257 T391	I224-L233 HydrophobicContact CB-CB 4.36Å; I224-L233 HydrophobicContact CD1-CD2 4.34Å; I224-L233 PolarHBondContact N-O 3.15Å; I224-L233 PolarHBondContact O-N 3.5Å; L233-H256 HydrophobicContact CD2-CB 3.8Å; L233-H256 VanDerWaalsContact CD2-CD2 3.41Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.42Å; L233-H256 HydrophobicContact CG-CB 4.1Å; L233-K257 WeakPolarHBondContact CA-O 3.32Å; L233-T391 HydrophobicContact CD1-CG2 3.89Å
234	W	90.2	Very high	88.4	Confident	9 Å²	9	48.9 Å²	48.9	3%	0.034	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.4	178.7	-60	3.4	0	0	0	108.6	V213 F218 P220 K223 E232 H256 K257 M259 L292 N297	V213-W234 HydrophobicContact CG2-CZ3 4.46Å; F218-W234 HydrophobicContact CB-CB 4.38Å; F218-W234 HydrophobicContact CB-CE3 4.4Å; F218-W234 WeakPolarHBondContact CD1-O 3.4Å; P220-W234 HydrophobicContact CB-CD2 4.12Å; P220-W234 HydrophobicContact CB-CE3 4.03Å; P220-W234 HydrophobicContact CB-CH2 3.95Å; P220-W234 HydrophobicContact CB-CZ2 4.05Å; P220-W234 HydrophobicContact CB-CZ3 3.96Å; P220-W234 HydrophobicContact CG-CD2 4.49Å; P220-W234 HydrophobicContact CG-CE3 3.92Å; P220-W234 HydrophobicContact CG-CH2 4.11Å; P220-W234 HydrophobicContact CG-CZ3 3.72Å; K223-W234 HydrophobicContact CB-CG 4.46Å; E232-W234 PolarHBondContact OE2-NE1 3.04Å; E232-W234 VanDerWaalsContact OE2-NE1 3.13Å; W234-H256 WeakPolarHBondContact O-CA 3.31Å; W234-K257 HydrophobicContact CB-CB 4.28Å; W234-K257 PolarHBondContact N-O 2.86Å; W234-K257 PolarHBondContact O-N 2.88Å; W234-M259 HydrophobicContact CD2-CG 4.14Å; W234-M259 HydrophobicContact CG-CG 4.27Å; W234-L292 HydrophobicContact CH2-CD2 3.45Å; W234-L292 VanDerWaalsContact CH2-CD2 3.45Å; W234-L292 HydrophobicContact CZ2-CD2 4.17Å; W234-L292 HydrophobicContact CZ3-CD2 3.86Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.36Å
235	P	90.2	Very high	88.2	Confident	28 Å²	28	48.2 Å²	48.2	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	152.7	173.3	31.9	-35.3	0	0	0	110.6	F218 D219 A222	F218-P235 WeakPolarHBondContact CA-O 3.15Å; D219-P235 PolarHBondContact N-O 3.44Å; A222-P235 HydrophobicContact CB-CG 3.83Å; A222-P235 WeakPolarHBondContact O-CD 3.48Å; A222-P235 VanDerWaalsContact O-CG 3.27Å; A222-P235 WeakPolarHBondContact O-CG 2.96Å
236	G	91.6	Very high	87.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	-176.5	-179.2	0	0	0	0	0	114.3	L217 T255	L217-G236 CarbonylContact O-C 3.47Å; L217-G236 WeakPolarHBondContact O-CA 3.28Å; G236-T255 CarbonylContact C-O 3.51Å; G236-T255 PolarHBondContact N-O 2.76Å; G236-T255 PolarHBondContact O-N 3.1Å; G236-T255 VanDerWaalsContact O-O 3.08Å
237	Y	90.9	Very high	87.8	Confident	34 Å²	34	53.7 Å²	53.7	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.2	-170.1	-52.9	-78	0	0	0	109.8	L210 L217 T252 E253 F405	L210-Y237 HydrophobicContact CD1-CD2 4.11Å; L210-Y237 HydrophobicContact CD1-CE2 4.46Å; L217-Y237 PolarHBondContact N-O 3.4Å; L217-Y237 PolarHBondContact O-N 3.3Å; Y237-T252 HydrophobicContact CD1-CG2 3.91Å; Y237-T252 HydrophobicContact CG-CG2 4.37Å; Y237-E253 WeakPolarHBondContact CA-O 3.38Å; Y237-F405 HydrophobicContact CD1-CB 4.22Å; Y237-F405 HydrophobicContact CD1-CD1 4.49Å; Y237-F405 AromaticContact CD1-CD2 3.65Å; Y237-F405 HydrophobicContact CD1-CD2 3.65Å; Y237-F405 HydrophobicContact CD1-CE2 4.07Å; Y237-F405 AromaticContact CD1-CG 3.86Å; Y237-F405 HydrophobicContact CD1-CG 3.86Å; Y237-F405 AromaticContact CD2-CD2 3.57Å; Y237-F405 HydrophobicContact CD2-CD2 3.57Å; Y237-F405 AromaticContact CD2-CE2 3.59Å; Y237-F405 HydrophobicContact CD2-CE2 3.59Å; Y237-F405 HydrophobicContact CE1-CB 3.63Å; Y237-F405 AromaticContact CE1-CD2 3.59Å; Y237-F405 HydrophobicContact CE1-CD2 3.59Å; Y237-F405 HydrophobicContact CE1-CE2 4.43Å; Y237-F405 AromaticContact CE1-CG 3.73Å; Y237-F405 HydrophobicContact CE1-CG 3.73Å; Y237-F405 AromaticContact CE2-CD2 3.52Å; Y237-F405 HydrophobicContact CE2-CD2 3.52Å; Y237-F405 AromaticContact CE2-CE2 3.99Å; Y237-F405 HydrophobicContact CE2-CE2 3.99Å; Y237-F405 HydrophobicContact CE2-CG 4.46Å; Y237-F405 AromaticContact CG-CD2 3.64Å; Y237-F405 HydrophobicContact CG-CD2 3.64Å; Y237-F405 AromaticContact CG-CE2 3.63Å; Y237-F405 HydrophobicContact CG-CE2 3.63Å; Y237-F405 HydrophobicContact CG-CG 4.28Å; Y237-F405 HydrophobicContact CG-CZ 4.29Å; Y237-F405 AromaticContact CZ-CD2 3.53Å
238	E	90.8	Very high	88.1	Confident	59 Å²	59	44.8 Å²	44.8	28%	0.276	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	112.8	164	-172.7	154.2	164.1	0	0	107.5	N216 T252 E253 T255 N731	N216-E238 PolarHBondContact ND2-OE2 3.18Å; N216-E238 WeakPolarHBondContact OD1-CG 3.27Å; E238-T252 WeakPolarHBondContact O-CA 3.2Å; E238-E253 PolarHBondContact N-O 3.25Å; E238-E253 PolarHBondContact O-N 3.33Å; E238-T255 HydrophobicContact CB-CG2 4.29Å; E238-N731 VanDerWaalsContact CD-ND2 3.33Å; E238-N731 PolarHBondContact OE1-ND2 3.47Å
239	T	89.3	Confident	88.4	Confident	28 Å²	28	37 Å²	37	17%	0.172	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.7	-172.6	57.5	0	0	0	0	111	M205 G251 T252 F405	M205-T239 HydrophobicContact CE-CG2 4.13Å; T239-G251 WeakPolarHBondContact CA-O 3.34Å; T239-T252 HydrophobicContact CG2-CG2 4.32Å; T239-F405 HydrophobicContact CG2-CZ 4.26Å
240	S	87.8	Confident	88.8	Confident	39 Å²	39	34.9 Å²	34.9	27%	0.273	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	120.8	174.4	55.1	0	0	0	0	110.9	G251	S240-G251 PolarHBondContact N-O 3.29Å; S240-G251 PolarHBondContact O-N 2.89Å
241	I	88.7	Confident	89.1	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.015	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.5	170.9	-176	167.5	0	0	0	109.6	L106 L194 L197 N198 L201 I248 L249 L250	L106-I241 HydrophobicContact CD2-CD1 3.71Å; L194-I241 WeakPolarHBondContact CD1-O 3.4Å; L197-I241 HydrophobicContact CB-CD1 3.99Å; L197-I241 HydrophobicContact CB-CG1 4.15Å; L197-I241 HydrophobicContact CB-CG2 4.02Å; L197-I241 HydrophobicContact CD1-CG1 4.36Å; L197-I241 HydrophobicContact CD2-CD1 4.06Å; L197-I241 HydrophobicContact CG-CD1 4.42Å; N198-I241 HydrophobicContact CB-CG2 4.46Å; N198-I241 PolarHBondContact ND2-O 2.63Å; L201-I241 HydrophobicContact CB-CG2 3.98Å; L201-I241 HydrophobicContact CD2-CB 4.03Å; L201-I241 HydrophobicContact CD2-CG2 3.79Å; L201-I241 HydrophobicContact CG-CG2 4.43Å; I241-I248 HydrophobicContact CD1-CG2 3.91Å; I241-I248 HydrophobicContact CG1-CG2 3.79Å; I241-L249 WeakPolarHBondContact CA-O 3.2Å; I241-L250 HydrophobicContact CB-CD1 4.48Å
242	R	84.5	Confident	89.3	Confident	60 Å²	60	27.4 Å²	27.4	23%	0.226	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157.3	177.2	-67	-167.9	170.5	-122.6	-9.8	111.2	L194 H244 I248 L249 L753	L194-R242 HydrophobicContact CD1-CB 4.45Å; L194-R242 HydrophobicContact CD1-CG 3.84Å; R242-H244 PolarHBondContact O-CD2 3Å; R242-I248 WeakPolarHBondContact O-CA 3.32Å; R242-L249 PolarHBondContact N-O 3.5Å; R242-L249 VanDerWaalsContact N-O 3.1Å; R242-L249 PolarHBondContact O-N 2.96Å; R242-L753 HydrophobicContact CB-CD2 4.43Å
243	Q	86.8	Confident	89.4	Confident	36 Å²	36	27.3 Å²	27.3	17%	0.168	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	132.6	154.7	-176.3	62.1	37	0	0	108.6	C188 F193 K246 I248 P754	C188-Q243 HydrophobicContact CB-CG 4.41Å; F193-Q243 HydrophobicContact CE1-CB 4.26Å; Q243-K246 VanDerWaalsContact NE2-C 3.33Å; Q243-K246 PolarHBondContact NE2-O 3.05Å; Q243-K246 VanDerWaalsContact NE2-O 3.13Å; Q243-I248 VanDerWaalsContact OE1-CG1 3.31Å; Q243-P754 HydrophobicContact CG-CG 4.39Å
244	H	88.8	Confident	89.5	Confident	6 Å²	6	27.8 Å²	27.8	3%	0.028	14%	0.135	C	C	.	.			trans	-115.8	-171.5	168.8	-71.5	-95.1	0	0	0	110	F103 R242 K246 D247 L249 V750 I751 T752 P754	F103-H244 AromaticContact CE1-CE1 3.81Å; F103-H244 AromaticContact CE1-NE2 3.55Å; R242-H244 PolarHBondContact O-CD2 3Å; H244-K246 PolarHBondContact O-N 3.47Å; H244-D247 PolarHBondContact N-O 3.11Å; H244-L249 HydrophobicContact CB-CD1 4.05Å; H244-L249 HydrophobicContact CB-CG 4.23Å; H244-V750 WeakPolarHBondContact CB-O 3.48Å; H244-I751 PolarHBondContact CE1-O 2.86Å; H244-I751 PolarHBondContact ND1-O 2.81Å; H244-T752 PolarHBondContact ND1-O 3.06Å; H244-P754 VanDerWaalsContact C-CG 3.48Å; H244-P754 WeakPolarHBondContact O-CG 3.13Å
245	E	84.6	Confident	89.4	Confident	40 Å²	40	29 Å²	29	19%	0.187	14%	0.143	C	C	.	.	S	Bend	trans	-48.7	-29.3	-168.4	-56	-60.1	139.8	0	0	115.4	R82 K89 T752 L753	R82-E245 IonicContact NH1-OE2 3.06Å; R82-E245 PolarHBondContact NH1-OE2 3.03Å; K89-E245 WeakPolarHBondContact CE-OE1 3.46Å; K89-E245 IonicContact NZ-OE1 2.76Å; K89-E245 PolarHBondContact NZ-OE1 2.92Å; K89-E245 IonicContact NZ-OE2 3.13Å; E245-T752 VanDerWaalsContact CD-OG1 3.27Å; E245-T752 VanDerWaalsContact CG-OG1 3.28Å; E245-T752 WeakPolarHBondContact CG-OG1 3.05Å; E245-T752 VanDerWaalsContact OE1-C 3.26Å; E245-T752 WeakPolarHBondContact OE1-CB 3.24Å; E245-T752 PolarHBondContact OE1-OG1 2.9Å; E245-L753 PolarHBondContact OE1-N 3.01Å
246	K	82.5	Confident	89.3	Confident	163 Å²	163	29.5 Å²	29.5	71%	0.709	14%	0.143	S	C	*	.	S	Bend	trans	-134.3	-40.8	176.6	-61.8	-174.6	179.1	-175.1	0	112.8	Q243 H244	Q243-K246 VanDerWaalsContact NE2-C 3.33Å; Q243-K246 PolarHBondContact NE2-O 3.05Å; Q243-K246 VanDerWaalsContact NE2-O 3.13Å; H244-K246 PolarHBondContact O-N 3.47Å
247	D	86.9	Confident	89.1	Confident	41 Å²	41	31.5 Å²	31.5	22%	0.219	15%	0.152	C	C	.	.	S	Bend	trans	-117.2	156.7	-166.8	-70.9	-74.8	0	0	0	113.9	R105 H244 L249	R105-D247 HydrophobicContact CG-CB 4.22Å; R105-D247 IonicContact CZ-OD1 3.21Å; R105-D247 IonicContact CZ-OD2 2.77Å; R105-D247 IonicContact NE-OD1 3.87Å; R105-D247 PolarHBondContact NE-OD1 3.23Å; R105-D247 IonicContact NE-OD2 3.54Å; R105-D247 IonicContact NH2-OD1 2.71Å; R105-D247 PolarHBondContact NH2-OD1 2.8Å; R105-D247 IonicContact NH2-OD2 3.57Å; R105-D247 PolarHBondContact NH2-OD2 2.91Å; H244-D247 PolarHBondContact N-O 3.11Å; D247-L249 HydrophobicContact CB-CD2 3.86Å; D247-L249 HydrophobicContact CB-CG 4.48Å; D247-L249 PolarHBondContact O-N 3.32Å
248	I	91.3	Very high	88.9	Confident	9 Å²	9	31.2 Å²	31.2	5%	0.046	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	120.7	162.7	-57.6	170.9	0	0	0	107.5	L106 T108 W112 F193 L197 I241 R242 Q243 M424	L106-I248 HydrophobicContact CB-CB 4.21Å; L106-I248 HydrophobicContact CB-CG2 4.06Å; L106-I248 PolarHBondContact N-O 2.8Å; T108-I248 HydrophobicContact CG2-CD1 4.22Å; W112-I248 HydrophobicContact CE3-CD1 4.31Å; W112-I248 HydrophobicContact CH2-CD1 4.36Å; W112-I248 HydrophobicContact CZ3-CD1 3.81Å; F193-I248 HydrophobicContact CE1-CD1 4.39Å; F193-I248 HydrophobicContact CE1-CG1 4.5Å; F193-I248 HydrophobicContact CZ-CD1 4.08Å; L197-I248 HydrophobicContact CD1-CD1 4.28Å; L197-I248 HydrophobicContact CD1-CG1 4.43Å; L197-I248 HydrophobicContact CD1-CG2 3.98Å; L197-I248 HydrophobicContact CD2-CD1 4.21Å; L197-I248 HydrophobicContact CD2-CG2 4.43Å; I241-I248 HydrophobicContact CD1-CG2 3.91Å; I241-I248 HydrophobicContact CG1-CG2 3.79Å; R242-I248 WeakPolarHBondContact O-CA 3.32Å; Q243-I248 VanDerWaalsContact OE1-CG1 3.31Å; I248-M424 HydrophobicContact CD1-CE 3.78Å
249	L	93.5	Very high	88.6	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.6	177.5	-51.6	-178.4	0	0	0	111.4	F103 F104 R105 I241 R242 H244 D247 T431 V750 I751	F103-L249 HydrophobicContact CB-CB 4.25Å; F103-L249 HydrophobicContact CB-CD1 4.2Å; F103-L249 HydrophobicContact CD1-CB 3.73Å; F103-L249 HydrophobicContact CD1-CD1 4.14Å; F103-L249 HydrophobicContact CG-CB 4.42Å; F103-L249 HydrophobicContact CG-CD1 4.36Å; F104-L249 WeakPolarHBondContact O-CA 3.42Å; R105-L249 HydrophobicContact CB-CD2 4.04Å; R105-L249 HydrophobicContact CG-CD2 4.23Å; I241-L249 WeakPolarHBondContact CA-O 3.2Å; R242-L249 PolarHBondContact N-O 3.5Å; R242-L249 VanDerWaalsContact N-O 3.1Å; R242-L249 PolarHBondContact O-N 2.96Å; H244-L249 HydrophobicContact CB-CD1 4.05Å; H244-L249 HydrophobicContact CB-CG 4.23Å; D247-L249 HydrophobicContact CB-CD2 3.86Å; D247-L249 HydrophobicContact CB-CG 4.48Å; D247-L249 PolarHBondContact O-N 3.32Å; L249-T431 HydrophobicContact CD2-CG2 4.41Å; L249-V750 WeakPolarHBondContact CD1-O 3.14Å; L249-I751 HydrophobicContact CD1-CG2 3.86Å
250	L	93.4	Very high	88.6	Confident	3 Å²	3	28 Å²	28	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	98.1	167.6	173.4	56.2	0	0	0	109.3	F103 F104 L106 L201 M205 I241 L409 L426	F103-L250 WeakPolarHBondContact CA-O 3.25Å; F104-L250 PolarHBondContact N-O 2.92Å; F104-L250 PolarHBondContact O-N 2.87Å; L106-L250 HydrophobicContact CD1-CB 3.94Å; L201-L250 HydrophobicContact CD1-CD1 3.66Å; L201-L250 HydrophobicContact CD1-CD2 3.78Å; L201-L250 HydrophobicContact CD1-CG 4.33Å; L201-L250 HydrophobicContact CD2-CD1 3.7Å; L201-L250 HydrophobicContact CG-CD1 4.34Å; M205-L250 HydrophobicContact CE-CD2 4.13Å; I241-L250 HydrophobicContact CB-CD1 4.48Å; L250-L409 HydrophobicContact CD2-CD2 4.47Å; L250-L426 HydrophobicContact CD2-CD1 4.04Å; L250-L426 HydrophobicContact CD2-CD2 4.49Å
251	G	92.6	Very high	88.4	Confident	3 Å²	3	29.5 Å²	29.5	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.7	168.1	0	0	0	0	0	110.9	T239 S240	T239-G251 WeakPolarHBondContact CA-O 3.34Å; S240-G251 PolarHBondContact N-O 3.29Å; S240-G251 PolarHBondContact O-N 2.89Å
252	T	92.3	Very high	88.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.3	176.5	-57	0	0	0	0	109.6	N102 Y237 E238 T239 L402 F405	N102-T252 WeakPolarHBondContact CB-O 3.33Å; N102-T252 PolarHBondContact ND2-O 2.81Å; N102-T252 PolarHBondContact O-N 2.66Å; Y237-T252 HydrophobicContact CD1-CG2 3.91Å; Y237-T252 HydrophobicContact CG-CG2 4.37Å; E238-T252 WeakPolarHBondContact O-CA 3.2Å; T239-T252 HydrophobicContact CG2-CG2 4.32Å; T252-L402 HydrophobicContact CG2-CD2 3.97Å; T252-L402 WeakPolarHBondContact O-CD2 3.28Å; T252-F405 HydrophobicContact CG2-CD1 3.75Å; T252-F405 HydrophobicContact CG2-CE1 3.61Å; T252-F405 HydrophobicContact CG2-CG 4.44Å; T252-F405 HydrophobicContact CG2-CZ 4.21Å
253	E	92.1	Very high	88.7	Confident	10 Å²	10	29.3 Å²	29.3	5%	0.047	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.5	170.6	170.5	64.5	144.8	0	0	111.1	Y237 E238 R398 M730 R733	Y237-E253 WeakPolarHBondContact CA-O 3.38Å; E238-E253 PolarHBondContact N-O 3.25Å; E238-E253 PolarHBondContact O-N 3.33Å; E253-R398 IonicContact OE1-CZ 2.82Å; E253-R398 IonicContact OE1-NE 3.8Å; E253-R398 IonicContact OE1-NH1 2.74Å; E253-R398 PolarHBondContact OE1-NH1 2.8Å; E253-R398 WeakPolarHBondContact OE2-CD 3.23Å; E253-R398 IonicContact OE2-CZ 2.94Å; E253-R398 IonicContact OE2-NE 3.42Å; E253-R398 IonicContact OE2-NH1 3.22Å; E253-R398 PolarHBondContact OE2-NH1 2.84Å; E253-M730 WeakPolarHBondContact CG-O 3.4Å; E253-R733 IonicContact OE1-CZ 3.57Å; E253-R733 IonicContact OE1-NE 2.75Å; E253-R733 PolarHBondContact OE1-NE 3.19Å; E253-R733 IonicContact OE1-NH2 2.7Å; E253-R733 PolarHBondContact OE1-NH2 2.99Å
254	I	89.9	Confident	89	Confident	12 Å²	12	27.6 Å²	27.6	6%	0.062	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.6	178.5	-47.1	176.1	0	0	0	109.6	M393 R398 R401 L402	I254-M393 HydrophobicContact CB-CE 3.76Å; I254-M393 HydrophobicContact CD1-CE 4.04Å; I254-M393 HydrophobicContact CD1-SD 4.19Å; I254-M393 HydrophobicContact CG2-CE 3.71Å; I254-M393 HydrophobicContact CG2-SD 4.36Å; I254-R398 HydrophobicContact CD1-CG 3.92Å; I254-R398 HydrophobicContact CG1-CG 4.41Å; I254-R398 PolarHBondContact O-NH1 3.27Å; I254-R401 HydrophobicContact CD1-CB 3.31Å; I254-R401 HydrophobicContact CD1-CG 4.23Å; I254-L402 HydrophobicContact CD1-CG 4.34Å; I254-L402 HydrophobicContact CG1-CD2 4.15Å; I254-L402 HydrophobicContact CG1-CG 4.3Å
255	T	89.4	Confident	89.2	Confident	34 Å²	34	28.6 Å²	28.6	21%	0.209	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	164	-177.7	-172.7	0	0	0	0	110.5	N216 F218 G236 E238	N216-T255 HydrophobicContact CB-CG2 4.21Å; F218-T255 HydrophobicContact CE1-CG2 3.76Å; F218-T255 HydrophobicContact CZ-CG2 3.9Å; G236-T255 CarbonylContact C-O 3.51Å; G236-T255 PolarHBondContact N-O 2.76Å; G236-T255 PolarHBondContact O-N 3.1Å; G236-T255 VanDerWaalsContact O-O 3.08Å; E238-T255 HydrophobicContact CB-CG2 4.29Å
256	H	88	Confident	89.6	Confident	38 Å²	38	29.8 Å²	29.8	18%	0.176	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	123.7	-174.3	-60.6	113.4	0	0	0	110.1	L233 W234 T391	L233-H256 HydrophobicContact CD2-CB 3.8Å; L233-H256 VanDerWaalsContact CD2-CD2 3.41Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.42Å; L233-H256 HydrophobicContact CG-CB 4.1Å; W234-H256 WeakPolarHBondContact O-CA 3.31Å; H256-T391 HydrophobicContact CB-CG2 4.26Å
257	K	86.9	Confident	89.9	Confident	43 Å²	43	22.6 Å²	22.6	19%	0.187	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	113.5	173.7	-167.4	82.8	-176.5	-166.1	0	108.6	V213 F218 L233 W234 M259	V213-K257 HydrophobicContact CG1-CD 4.03Å; F218-K257 HydrophobicContact CD1-CB 3.78Å; F218-K257 HydrophobicContact CE1-CB 3.62Å; F218-K257 HydrophobicContact CE2-CB 4.37Å; F218-K257 HydrophobicContact CE2-CD 4.38Å; F218-K257 HydrophobicContact CG-CB 4.25Å; F218-K257 HydrophobicContact CZ-CB 3.93Å; F218-K257 HydrophobicContact CZ-CD 4.3Å; L233-K257 WeakPolarHBondContact CA-O 3.32Å; W234-K257 HydrophobicContact CB-CB 4.28Å; W234-K257 PolarHBondContact N-O 2.86Å; W234-K257 PolarHBondContact O-N 2.88Å; K257-M259 HydrophobicContact CG-CG 4.19Å; K257-M259 HydrophobicContact CG-SD 3.79Å
258	V	87.6	Confident	90	Very high	28 Å²	28	21.1 Å²	21.1	17%	0.17	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	121.9	170.2	-179.1	0	0	0	0	108.9	M231 G372 L373 M387	M231-V258 HydrophobicContact SD-CG1 3.89Å; V258-G372 PolarHBondContact O-N 3.02Å; V258-L373 HydrophobicContact CG1-CD2 3.91Å; V258-L373 HydrophobicContact CG1-CG 4.37Å; V258-M387 HydrophobicContact CG1-SD 4.12Å; V258-M387 HydrophobicContact CG2-SD 4.21Å
259	M	84.6	Confident	89.8	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.3	-178.7	-68.5	-55.5	-55.8	0	0	108.7	M231 E232 W234 K257 L292 R369 T371	M231-M259 CarbonylContact C-O 3.52Å; M231-M259 WeakPolarHBondContact CA-O 3.28Å; M231-M259 WeakPolarHBondContact CG-O 3.47Å; E232-M259 HydrophobicContact CB-CB 4.05Å; E232-M259 PolarHBondContact N-O 2.76Å; E232-M259 PolarHBondContact O-N 3.07Å; E232-M259 VanDerWaalsContact O-O 3.06Å; W234-M259 HydrophobicContact CD2-CG 4.14Å; W234-M259 HydrophobicContact CG-CG 4.27Å; K257-M259 HydrophobicContact CG-CG 4.19Å; K257-M259 HydrophobicContact CG-SD 3.79Å; M259-L292 HydrophobicContact CE-CB 3.59Å; M259-L292 HydrophobicContact CE-CD2 3.52Å; M259-L292 HydrophobicContact CE-CG 4.17Å; M259-L292 HydrophobicContact SD-CB 4.49Å; M259-L292 HydrophobicContact SD-CD2 4.17Å; M259-R369 HydrophobicContact CE-CB 4.3Å; M259-T371 HydrophobicContact CE-CG2 3.91Å; M259-T371 HydrophobicContact SD-CG2 3.7Å
260	R	87.3	Confident	89.4	Confident	18 Å²	18	36.6 Å²	36.6	7%	0.068	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	145.5	167.9	-55.5	-171.6	-153.6	168.7	8.7	108.9	M231 E262 R369 V370 G372 M377	M231-R260 HydrophobicContact CG-CG 4.38Å; R260-E262 HydrophobicContact CB-CB 4.28Å; R260-R369 PolarHBondContact O-NE 3.06Å; R260-R369 PolarHBondContact O-NH2 3.18Å; R260-V370 HydrophobicContact CB-CB 4.42Å; R260-V370 WeakPolarHBondContact CB-O 3.48Å; R260-V370 HydrophobicContact CG-CB 4.34Å; R260-V370 WeakPolarHBondContact CG-O 3.32Å; R260-V370 VanDerWaalsContact CZ-CG1 3.46Å; R260-V370 PolarHBondContact N-O 2.96Å; R260-G372 PolarHBondContact NE-O 3.19Å; R260-G372 PolarHBondContact NH2-O 3.14Å; R260-M377 HydrophobicContact CG-CE 4.09Å
261	T	84.6	Confident	88.9	Confident	71 Å²	71	36.7 Å²	36.7	44%	0.436	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-18.8	166.8	-47.6	0	0	0	0	110.7	K230	K230-T261 WeakPolarHBondContact O-CB 3.35Å; K230-T261 PolarHBondContact O-N 3.41Å; K230-T261 PolarHBondContact O-OG1 3.19Å
262	E	87.9	Confident	87.9	Confident	37 Å²	37	39.1 Å²	39.1	17%	0.173	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	136.1	174.4	-166.6	178.8	-154.3	0	0	113.3	R260 D266 I267 R270 V370	R260-E262 HydrophobicContact CB-CB 4.28Å; E262-D266 HydrophobicContact CG-CB 3.51Å; E262-I267 HydrophobicContact CG-CG1 4.12Å; E262-R270 IonicContact OE1-CZ 2.91Å; E262-R270 IonicContact OE1-NE 3.65Å; E262-R270 PolarHBondContact OE1-NE 2.91Å; E262-R270 IonicContact OE1-NH2 3.87Å; E262-R270 PolarHBondContact OE1-NH2 2.97Å; E262-R270 IonicContact OE2-NH2 3.22Å; E262-R270 PolarHBondContact OE2-NH2 3.49Å; E262-V370 PolarHBondContact O-N 3.44Å
263	T	91.8	Very high	87	Confident	22 Å²	22	46.3 Å²	46.3	14%	0.135	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	167.7	173.6	68	0	0	0	0	112.2	Y265 D266 I267 C368 R369	T263-Y265 PolarHBondContact O-N 2.94Å; T263-Y265 WeakPolarHBondContact OG1-CB 3.21Å; T263-Y265 PolarHBondContact OG1-N 3.46Å; T263-D266 WeakPolarHBondContact CB-OD2 3.45Å; T263-D266 PolarHBondContact N-OD2 3.35Å; T263-D266 PolarHBondContact O-N 2.93Å; T263-D266 PolarHBondContact OG1-N 3.46Å; T263-D266 VanDerWaalsContact OG1-N 3.14Å; T263-D266 PolarHBondContact OG1-OD2 2.87Å; T263-I267 PolarHBondContact O-N 2.96Å; T263-C368 CarbonylContact C-O 3.53Å; T263-C368 VanDerWaalsContact CA-O 3.28Å; T263-C368 WeakPolarHBondContact CA-O 3.06Å; T263-R369 HydrophobicContact CG2-CG 4.2Å
264	I	93.2	Very high	86.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-33.3	169.6	-63.2	-65.9	0	0	0	111.2	D266 I267 M268 V286 L289 V291 I302 L344 P365 C368 V370	I264-D266 VanDerWaalsContact C-N 3.34Å; I264-D266 PolarHBondContact O-N 3.46Å; I264-I267 HydrophobicContact CD1-CD1 4.47Å; I264-I267 PolarHBondContact O-N 3.42Å; I264-M268 HydrophobicContact CG2-CE 3.77Å; I264-M268 HydrophobicContact CG2-CG 4.23Å; I264-M268 HydrophobicContact CG2-SD 3.97Å; I264-M268 WeakPolarHBondContact O-CG 3.48Å; I264-M268 PolarHBondContact O-N 3.27Å; I264-V286 HydrophobicContact CD1-CG1 4.23Å; I264-V286 HydrophobicContact CG2-CG1 3.8Å; I264-V286 HydrophobicContact CG2-CG2 3.99Å; I264-L289 HydrophobicContact CD1-CD1 3.85Å; I264-V291 HydrophobicContact CD1-CG1 3.64Å; I264-V291 HydrophobicContact CG1-CG1 3.48Å; I264-V291 VanDerWaalsContact CG1-CG1 3.48Å; I264-I302 HydrophobicContact CD1-CD1 3.73Å; I264-I302 HydrophobicContact CG1-CD1 3.92Å; 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 3.91Å; I264-P365 HydrophobicContact CB-CB 4.17Å; I264-P365 HydrophobicContact CG2-CB 4.09Å; I264-C368 HydrophobicContact CG1-CB 4.11Å; I264-C368 PolarHBondContact N-O 3.38Å; I264-V370 HydrophobicContact CD1-CG2 3.47Å; I264-V370 VanDerWaalsContact CD1-CG2 3.47Å; I264-V370 HydrophobicContact CG1-CG2 4.26Å
265	Y	93.5	Very high	85.2	Confident	27 Å²	27	54.6 Å²	54.6	11%	0.106	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-41.8	176.7	-177.3	-102.5	0	0	0	112.6	T263 M268 R269 D338 Q341 P365 E366	T263-Y265 PolarHBondContact O-N 2.94Å; T263-Y265 WeakPolarHBondContact OG1-CB 3.21Å; T263-Y265 PolarHBondContact OG1-N 3.46Å; Y265-M268 PolarHBondContact O-N 3.07Å; Y265-R269 HydrophobicContact CE1-CG 4.29Å; Y265-R269 VanDerWaalsContact CZ-NE 3.27Å; Y265-R269 PolarHBondContact O-N 3.03Å; Y265-R269 VanDerWaalsContact OH-CZ 3.29Å; Y265-R269 PolarHBondContact OH-NE 3.01Å; Y265-R269 PolarHBondContact OH-NH2 3.31Å; Y265-D338 HydrophobicContact CE2-CB 3.77Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.14Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.26Å; Y265-D338 WeakPolarHBondContact OH-CB 3.31Å; Y265-D338 PolarHBondContact OH-OD2 3.09Å; Y265-Q341 HydrophobicContact CD2-CB 3.95Å; Y265-Q341 HydrophobicContact CE2-CB 3.83Å; Y265-P365 PolarHBondContact N-O 3.35Å; Y265-E366 HydrophobicContact CG-CB 4.42Å
266	D	91.3	Very high	84.4	Confident	66 Å²	66	57.1 Å²	57.1	35%	0.353	30%	0.295	S	S	.	.	H	α-helix	trans	-63	-41.5	174.8	-58.7	-56	0	0	0	111.6	E262 T263 I264 R269 R270	E262-D266 HydrophobicContact CG-CB 3.51Å; T263-D266 WeakPolarHBondContact CB-OD2 3.45Å; T263-D266 PolarHBondContact N-OD2 3.35Å; T263-D266 PolarHBondContact O-N 2.93Å; T263-D266 PolarHBondContact OG1-N 3.46Å; T263-D266 VanDerWaalsContact OG1-N 3.14Å; T263-D266 PolarHBondContact OG1-OD2 2.87Å; I264-D266 VanDerWaalsContact C-N 3.34Å; I264-D266 PolarHBondContact O-N 3.46Å; D266-R269 PolarHBondContact O-N 2.91Å; D266-R270 WeakPolarHBondContact O-CG 3.38Å; D266-R270 PolarHBondContact O-N 2.88Å; D266-R270 VanDerWaalsContact O-N 3.16Å
267	I	88.9	Confident	84	Confident	12 Å²	12	63.8 Å²	63.8	6%	0.062	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-42.7	176.5	-66	171.6	0	0	0	110.9	E262 T263 I264 R270 C271 N285 V286 V370	E262-I267 HydrophobicContact CG-CG1 4.12Å; T263-I267 PolarHBondContact O-N 2.96Å; I264-I267 HydrophobicContact CD1-CD1 4.47Å; I264-I267 PolarHBondContact O-N 3.42Å; I267-R270 PolarHBondContact O-N 3.15Å; I267-R270 VanDerWaalsContact O-N 3.11Å; I267-C271 PolarHBondContact O-N 2.87Å; I267-C271 PolarHBondContact O-SG 2.93Å; I267-N285 HydrophobicContact CG2-CB 4.22Å; I267-V286 HydrophobicContact CG2-CG2 4.15Å; I267-V370 HydrophobicContact CD1-CG2 3.61Å
268	M	89.6	Confident	83.7	Confident	10 Å²	10	64.2 Å²	64.2	5%	0.049	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-44.5	175.8	-73.1	171	163.8	0	0	111.6	I264 Y265 R270 C271 V282 V286 V305 P342 L344 P365	I264-M268 HydrophobicContact CG2-CE 3.77Å; I264-M268 HydrophobicContact CG2-CG 4.23Å; I264-M268 HydrophobicContact CG2-SD 3.97Å; I264-M268 WeakPolarHBondContact O-CG 3.48Å; I264-M268 PolarHBondContact O-N 3.27Å; Y265-M268 PolarHBondContact O-N 3.07Å; M268-R270 PolarHBondContact O-N 3.03Å; M268-C271 WeakPolarHBondContact O-CB 3.39Å; M268-C271 PolarHBondContact O-N 2.81Å; M268-V282 HydrophobicContact CB-CG2 4.42Å; M268-V282 HydrophobicContact CE-CG1 3.75Å; M268-V282 HydrophobicContact CG-CG1 3.87Å; M268-V282 HydrophobicContact CG-CG2 4.19Å; M268-V286 HydrophobicContact CG-CG2 4.49Å; M268-V305 HydrophobicContact CE-CG1 3.72Å; M268-V305 HydrophobicContact CE-CG2 4.32Å; M268-P342 HydrophobicContact CE-CG 3.8Å; M268-P342 HydrophobicContact SD-CG 3.75Å; M268-L344 HydrophobicContact CE-CD2 3.6Å; M268-P365 HydrophobicContact CE-CG 4.09Å; M268-P365 HydrophobicContact SD-CB 3.81Å; M268-P365 HydrophobicContact SD-CG 3.77Å
269	R	87.6	Confident	83.6	Confident	164 Å²	164	66.6 Å²	66.6	62%	0.619	33%	0.33	S	S	*	.	H	α-helix	trans	-63.1	-20.8	174.4	-80.8	-170.6	170.2	-137.3	3.5	114.2	Y265 D266 H273	Y265-R269 HydrophobicContact CE1-CG 4.29Å; Y265-R269 VanDerWaalsContact CZ-NE 3.27Å; Y265-R269 PolarHBondContact O-N 3.03Å; Y265-R269 VanDerWaalsContact OH-CZ 3.29Å; Y265-R269 PolarHBondContact OH-NE 3.01Å; Y265-R269 PolarHBondContact OH-NH2 3.31Å; D266-R269 PolarHBondContact O-N 2.91Å; R269-H273 PolarHBondContact O-CE1 2.94Å
270	R	84.6	Confident	83.6	Confident	170 Å²	170	71.2 Å²	71.2	64%	0.642	36%	0.355	S	S	*	.	H	α-helix	trans	-88	-10.2	176.6	-69.1	-167.9	-61.5	119.5	-7.7	114.3	E262 D266 I267 M268	E262-R270 IonicContact OE1-CZ 2.91Å; E262-R270 IonicContact OE1-NE 3.65Å; E262-R270 PolarHBondContact OE1-NE 2.91Å; E262-R270 IonicContact OE1-NH2 3.87Å; E262-R270 PolarHBondContact OE1-NH2 2.97Å; E262-R270 IonicContact OE2-NH2 3.22Å; E262-R270 PolarHBondContact OE2-NH2 3.49Å; D266-R270 WeakPolarHBondContact O-CG 3.38Å; D266-R270 PolarHBondContact O-N 2.88Å; D266-R270 VanDerWaalsContact O-N 3.16Å; I267-R270 PolarHBondContact O-N 3.15Å; I267-R270 VanDerWaalsContact O-N 3.11Å; M268-R270 PolarHBondContact O-N 3.03Å
271	C	83.3	Confident	83.5	Confident	6 Å²	6	73.7 Å²	73.7	4%	0.041	37%	0.367	C	S	.	.	S	Bend	trans	-74.6	159.1	174.8	-61	0	0	0	0	111.1	I267 M268 H273 E281 V282	I267-C271 PolarHBondContact O-N 2.87Å; I267-C271 PolarHBondContact O-SG 2.93Å; M268-C271 WeakPolarHBondContact O-CB 3.39Å; M268-C271 PolarHBondContact O-N 2.81Å; C271-H273 PolarHBondContact O-N 2.78Å; C271-H273 PolarHBondContact O-ND1 3.43Å; C271-E281 HydrophobicContact CB-CB 4.43Å; C271-E281 HydrophobicContact CB-CG 4.07Å; C271-V282 HydrophobicContact CB-CG2 3.83Å
272	S	71	Confident	83.6	Confident	53 Å²	53	70.3 Å²	70.3	37%	0.371	35%	0.346	S	S	.	.			trans	-55.7	135.5	178.7	-171	0	0	0	0	111.5	N274 H278 E281	S272-N274 PolarHBondContact O-N 2.93Å; S272-N274 PolarHBondContact OG-N 2.94Å; S272-H278 WeakPolarHBondContact O-CB 3.2Å; S272-H278 PolarHBondContact O-ND1 3.38Å; S272-E281 WeakPolarHBondContact CA-OE2 3.15Å; S272-E281 WeakPolarHBondContact CB-OE2 3.41Å; S272-E281 PolarHBondContact N-OE2 2.82Å
273	H	73.6	Confident	83.6	Confident	152 Å²	152	71.7 Å²	71.7	70%	0.704	35%	0.35	S	S	*	.			trans	-80	2.7	177.3	-69.9	37	0	0	0	113	R269 C271 P275	R269-H273 PolarHBondContact O-CE1 2.94Å; C271-H273 PolarHBondContact O-N 2.78Å; C271-H273 PolarHBondContact O-ND1 3.43Å; H273-P275 VanDerWaalsContact O-CD 3.28Å; H273-P275 WeakPolarHBondContact O-CD 3.47Å
274	N	76.1	Confident	83.1	Confident	81 Å²	81	76.6 Å²	76.6	43%	0.433	38%	0.379	S	S	.	.			trans	-69.2	115	174.3	-178.5	-32.1	0	0	0	110	S272 A276 R277 H278	S272-N274 PolarHBondContact O-N 2.93Å; S272-N274 PolarHBondContact OG-N 2.94Å; N274-A276 PolarHBondContact O-N 3Å; N274-A276 VanDerWaalsContact O-N 3.12Å; N274-A276 PolarHBondContact OD1-N 2.97Å; N274-A276 VanDerWaalsContact OD1-N 3.09Å; N274-R277 PolarHBondContact O-N 3.09Å; N274-H278 WeakPolarHBondContact O-CB 3.47Å; N274-H278 PolarHBondContact O-N 2.82Å
275	P	68.1	Low	82.7	Confident	115 Å²	115	80.4 Å²	80.4	75%	0.747	40%	0.4	S	S	*	.	H	α-helix	trans	-58	-33.3	-173	-26.6	35.9	0	0	0	114.1	H273 R277	H273-P275 VanDerWaalsContact O-CD 3.28Å; H273-P275 WeakPolarHBondContact O-CD 3.47Å; P275-R277 PolarHBondContact O-N 2.66Å
276	A	72.5	Confident	82.5	Confident	87 Å²	87	79.1 Å²	79.1	72%	0.719	40%	0.395	S	S	*	.	H	α-helix	trans	-76	-2.1	-179.4	0	0	0	0	0	114.1	N274	N274-A276 PolarHBondContact O-N 3Å; N274-A276 VanDerWaalsContact O-N 3.12Å; N274-A276 PolarHBondContact OD1-N 2.97Å; N274-A276 VanDerWaalsContact OD1-N 3.09Å
277	R	78.9	Confident	82.3	Confident	178 Å²	178	78.8 Å²	78.8	67%	0.672	39%	0.393	S	S	*	.	H	α-helix	trans	-131.5	-22.9	174.7	-66.8	-173.4	178.8	178.1	0.9	113.9	N274 P275 Q279 D280 E281	N274-R277 PolarHBondContact O-N 3.09Å; P275-R277 PolarHBondContact O-N 2.66Å; R277-Q279 PolarHBondContact O-N 3.15Å; R277-D280 PolarHBondContact O-N 3.44Å; R277-E281 WeakPolarHBondContact O-CB 3.45Å; R277-E281 PolarHBondContact O-N 3.03Å
278	H	82.3	Confident	82	Confident	51 Å²	51	80.9 Å²	80.9	24%	0.236	40%	0.404	C	S	.	.	H	α-helix	trans	-52.4	-51.4	-174.3	-176.9	75.4	0	0	0	113.1	S272 N274 D280 E281 V282	S272-H278 WeakPolarHBondContact O-CB 3.2Å; S272-H278 PolarHBondContact O-ND1 3.38Å; N274-H278 WeakPolarHBondContact O-CB 3.47Å; N274-H278 PolarHBondContact O-N 2.82Å; H278-D280 VanDerWaalsContact C-N 3.33Å; H278-D280 PolarHBondContact O-N 2.83Å; H278-E281 PolarHBondContact O-N 3.09Å; H278-V282 WeakPolarHBondContact O-CB 3.14Å; H278-V282 VanDerWaalsContact O-CG2 3.26Å; H278-V282 WeakPolarHBondContact O-CG2 3.45Å; H278-V282 PolarHBondContact O-N 2.92Å
279	Q	85.3	Confident	81.9	Confident	79 Å²	79	82 Å²	82	37%	0.369	41%	0.41	S	S	.	.	H	α-helix	trans	-63.1	-39.4	-177.1	-61.6	-165.6	10.4	0	0	112.7	R277 R283 F307	R277-Q279 PolarHBondContact O-N 3.15Å; Q279-R283 WeakPolarHBondContact O-CB 3.27Å; Q279-R283 VanDerWaalsContact O-CG 3.27Å; Q279-R283 WeakPolarHBondContact O-CG 3.4Å; Q279-R283 PolarHBondContact O-N 3.23Å; Q279-F307 HydrophobicContact CB-CD2 4.4Å; Q279-F307 HydrophobicContact CB-CE1 4.24Å; Q279-F307 HydrophobicContact CB-CE2 3.92Å; Q279-F307 HydrophobicContact CB-CZ 3.82Å; Q279-F307 HydrophobicContact CG-CD1 3.94Å; Q279-F307 HydrophobicContact CG-CD2 4.11Å; Q279-F307 HydrophobicContact CG-CE1 3.9Å; Q279-F307 HydrophobicContact CG-CE2 4.07Å; Q279-F307 HydrophobicContact CG-CG 4.05Å; Q279-F307 HydrophobicContact CG-CZ 3.96Å
280	D	84.3	Confident	81.9	Confident	97 Å²	97	78 Å²	78	52%	0.519	40%	0.4	S	S	.	.	H	α-helix	trans	-76.9	-37	-177.2	-69.5	-15.9	0	0	0	111.6	R277 H278 R283 V284	R277-D280 PolarHBondContact O-N 3.44Å; H278-D280 VanDerWaalsContact C-N 3.33Å; H278-D280 PolarHBondContact O-N 2.83Å; D280-R283 PolarHBondContact O-N 2.74Å; D280-R283 IonicContact OD1-NH1 2.67Å; D280-R283 PolarHBondContact OD1-NH1 3.37Å; D280-V284 WeakPolarHBondContact O-CB 3.44Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.32Å; D280-V284 PolarHBondContact O-N 3.49Å
281	E	85.3	Confident	82.1	Confident	70 Å²	70	69.9 Å²	69.9	33%	0.327	37%	0.37	S	S	.	.	H	α-helix	trans	-63.3	-42.9	171	-171.7	179.5	176.7	0	0	111.4	C271 S272 R277 H278 V284 N285	C271-E281 HydrophobicContact CB-CB 4.43Å; C271-E281 HydrophobicContact CB-CG 4.07Å; S272-E281 WeakPolarHBondContact CA-OE2 3.15Å; S272-E281 WeakPolarHBondContact CB-OE2 3.41Å; S272-E281 PolarHBondContact N-OE2 2.82Å; R277-E281 WeakPolarHBondContact O-CB 3.45Å; R277-E281 PolarHBondContact O-N 3.03Å; H278-E281 PolarHBondContact O-N 3.09Å; E281-V284 PolarHBondContact O-N 3.1Å; E281-N285 WeakPolarHBondContact O-CB 3.33Å; E281-N285 PolarHBondContact O-N 2.75Å; E281-N285 PolarHBondContact O-ND2 3.21Å
282	V	87.1	Confident	82.4	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-59.7	-49.7	172	165.5	0	0	0	0	110.4	M268 C271 H278 V284 N285 V286 V305 F307	M268-V282 HydrophobicContact CB-CG2 4.42Å; M268-V282 HydrophobicContact CE-CG1 3.75Å; M268-V282 HydrophobicContact CG-CG1 3.87Å; M268-V282 HydrophobicContact CG-CG2 4.19Å; C271-V282 HydrophobicContact CB-CG2 3.83Å; H278-V282 WeakPolarHBondContact O-CB 3.14Å; H278-V282 VanDerWaalsContact O-CG2 3.26Å; H278-V282 WeakPolarHBondContact O-CG2 3.45Å; H278-V282 PolarHBondContact O-N 2.92Å; V282-V284 PolarHBondContact O-N 2.65Å; V282-N285 PolarHBondContact O-N 2.85Å; V282-V286 HydrophobicContact CG1-CG2 4.15Å; V282-V286 WeakPolarHBondContact O-CB 3.3Å; V282-V286 VanDerWaalsContact O-CG2 3.3Å; V282-V286 WeakPolarHBondContact O-CG2 3.44Å; V282-V286 PolarHBondContact O-N 3.19Å; V282-V305 HydrophobicContact CG1-CG1 4.48Å; V282-F307 HydrophobicContact CB-CZ 4.1Å; V282-F307 HydrophobicContact CG1-CE1 4.31Å; V282-F307 HydrophobicContact CG1-CZ 3.77Å
283	R	86.4	Confident	83.3	Confident	66 Å²	66	67.1 Å²	67.1	25%	0.249	35%	0.35	C	S	.	.	H	α-helix	trans	-58	-45.5	177.3	-77	174.1	-176.2	114.7	10	111.8	Q279 D280 N285 V286 L287 F307	Q279-R283 WeakPolarHBondContact O-CB 3.27Å; Q279-R283 VanDerWaalsContact O-CG 3.27Å; Q279-R283 WeakPolarHBondContact O-CG 3.4Å; Q279-R283 PolarHBondContact O-N 3.23Å; D280-R283 PolarHBondContact O-N 2.74Å; D280-R283 IonicContact OD1-NH1 2.67Å; D280-R283 PolarHBondContact OD1-NH1 3.37Å; R283-N285 VanDerWaalsContact C-N 3.32Å; R283-N285 PolarHBondContact O-N 3.17Å; R283-V286 PolarHBondContact O-N 2.68Å; R283-L287 HydrophobicContact CB-CD1 3.82Å; R283-L287 HydrophobicContact CB-CG 4.19Å; R283-L287 HydrophobicContact CG-CD1 4.16Å; R283-L287 VanDerWaalsContact O-CB 3.24Å; R283-L287 WeakPolarHBondContact O-CB 3.5Å; R283-L287 WeakPolarHBondContact O-CG 3.38Å; R283-L287 PolarHBondContact O-N 3.1Å; R283-F307 HydrophobicContact CG-CE2 4.48Å; R283-F307 VanDerWaalsContact NH2-CD2 3.32Å
284	V	83.1	Confident	83.7	Confident	124 Å²	124	63.1 Å²	63.1	75%	0.752	33%	0.334	S	S	*	.	H	α-helix	trans	-61.5	-38	178.2	166.5	0	0	0	0	112.3	D280 E281 V282	D280-V284 WeakPolarHBondContact O-CB 3.44Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.32Å; D280-V284 PolarHBondContact O-N 3.49Å; E281-V284 PolarHBondContact O-N 3.1Å; V282-V284 PolarHBondContact O-N 2.65Å
285	N	84.1	Confident	84.1	Confident	80 Å²	80	61 Å²	61	43%	0.428	32%	0.32	S	S	.	.	H	α-helix	trans	-83.3	-28.3	-179.5	-77.9	-74.3	0	0	0	114.3	I267 E281 V282 R283 L289	I267-N285 HydrophobicContact CG2-CB 4.22Å; E281-N285 WeakPolarHBondContact O-CB 3.33Å; E281-N285 PolarHBondContact O-N 2.75Å; E281-N285 PolarHBondContact O-ND2 3.21Å; V282-N285 PolarHBondContact O-N 2.85Å; R283-N285 VanDerWaalsContact C-N 3.32Å; R283-N285 PolarHBondContact O-N 3.17Å; N285-L289 WeakPolarHBondContact O-CD1 3.29Å
286	V	88.6	Confident	84.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-104.4	-32.6	-168.3	172.6	0	0	0	0	113.6	I264 I267 M268 V282 R283 L289 I302 V305 L344	I264-V286 HydrophobicContact CD1-CG1 4.23Å; I264-V286 HydrophobicContact CG2-CG1 3.8Å; I264-V286 HydrophobicContact CG2-CG2 3.99Å; I267-V286 HydrophobicContact CG2-CG2 4.15Å; M268-V286 HydrophobicContact CG-CG2 4.49Å; V282-V286 HydrophobicContact CG1-CG2 4.15Å; V282-V286 WeakPolarHBondContact O-CB 3.3Å; V282-V286 VanDerWaalsContact O-CG2 3.3Å; V282-V286 WeakPolarHBondContact O-CG2 3.44Å; V282-V286 PolarHBondContact O-N 3.19Å; R283-V286 PolarHBondContact O-N 2.68Å; V286-L289 WeakPolarHBondContact O-CB 3.41Å; V286-L289 WeakPolarHBondContact O-CG 3.35Å; V286-L289 PolarHBondContact O-N 3.34Å; V286-I302 HydrophobicContact CG1-CD1 3.49Å; V286-I302 VanDerWaalsContact CG1-CD1 3.49Å; V286-I302 HydrophobicContact CG1-CG2 4.13Å; V286-V305 HydrophobicContact CG1-CG2 3.97Å; V286-L344 HydrophobicContact CG1-CD2 4.13Å
287	L	87.5	Confident	85.2	Confident	60 Å²	60	54.2 Å²	54.2	31%	0.314	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	147.9	-177	-64.5	178.6	0	0	0	112.3	R283 L289 I302 V305	R283-L287 HydrophobicContact CB-CD1 3.82Å; R283-L287 HydrophobicContact CB-CG 4.19Å; R283-L287 HydrophobicContact CG-CD1 4.16Å; R283-L287 VanDerWaalsContact O-CB 3.24Å; R283-L287 WeakPolarHBondContact O-CB 3.5Å; R283-L287 WeakPolarHBondContact O-CG 3.38Å; R283-L287 PolarHBondContact O-N 3.1Å; L287-L289 PolarHBondContact O-N 2.82Å; L287-I302 HydrophobicContact CD2-CG2 4.18Å; L287-V305 HydrophobicContact CD2-CG2 4.28Å
288	D	82.4	Confident	85.4	Confident	55 Å²	55	53.1 Å²	53.1	29%	0.294	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	0.7	-173.6	-82.7	-13.5	0	0	0	116.2	R301 I302 R622	D288-R301 IonicContact OD1-CZ 2.93Å; D288-R301 IonicContact OD1-NE 3.07Å; D288-R301 PolarHBondContact OD1-NE 3.2Å; D288-R301 IonicContact OD1-NH2 3.68Å; D288-R301 PolarHBondContact OD1-NH2 2.76Å; D288-R301 IonicContact OD2-CZ 2.93Å; D288-R301 IonicContact OD2-NH2 2.7Å; D288-R301 PolarHBondContact OD2-NH2 3.01Å; D288-I302 WeakPolarHBondContact CA-O 3.39Å; D288-I302 PolarHBondContact N-O 3.49Å; D288-R622 IonicContact OD2-CZ 3.98Å; D288-R622 IonicContact OD2-NH1 2.66Å; D288-R622 PolarHBondContact OD2-NH1 3.31Å
289	L	86.9	Confident	85.6	Confident	35 Å²	35	52.9 Å²	52.9	18%	0.183	26%	0.264	C	S	.	.			trans	-63.7	145.5	166.2	-66.2	-174	0	0	0	110.9	I264 N285 V286 L287 R301 I302 V370	I264-L289 HydrophobicContact CD1-CD1 3.85Å; N285-L289 WeakPolarHBondContact O-CD1 3.29Å; V286-L289 WeakPolarHBondContact O-CB 3.41Å; V286-L289 WeakPolarHBondContact O-CG 3.35Å; V286-L289 PolarHBondContact O-N 3.34Å; L287-L289 PolarHBondContact O-N 2.82Å; L289-R301 WeakPolarHBondContact O-CA 3.42Å; L289-I302 HydrophobicContact CB-CD1 4.5Å; L289-I302 PolarHBondContact O-N 3.43Å; L289-V370 HydrophobicContact CD1-CG1 4.1Å; L289-V370 HydrophobicContact CD1-CG2 4.13Å; L289-V370 HydrophobicContact CD2-CG1 4.44Å
290	I	87.5	Confident	85.7	Confident	79 Å²	79	50.9 Å²	50.9	41%	0.405	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.3	169	-61.9	169.2	0	0	0	107.9	T299 Y300 R301 T371	I290-T299 HydrophobicContact CG2-CG2 4.27Å; I290-Y300 CarbonylContact C-O 3.59Å; I290-Y300 VanDerWaalsContact CA-O 3.31Å; I290-Y300 WeakPolarHBondContact CA-O 3.34Å; I290-R301 HydrophobicContact CG1-CB 4.37Å; I290-T371 WeakPolarHBondContact O-CB 3.47Å; I290-T371 WeakPolarHBondContact O-CG2 3.19Å; I290-T371 PolarHBondContact O-N 2.98Å; I290-T371 PolarHBondContact O-OG1 3.19Å
291	V	90.5	Very high	85.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	156	175.1	-67.7	0	0	0	0	111.4	I264 T299 Y300 I302 L363 C368 R369	I264-V291 HydrophobicContact CD1-CG1 3.64Å; I264-V291 HydrophobicContact CG1-CG1 3.48Å; I264-V291 VanDerWaalsContact CG1-CG1 3.48Å; V291-T299 CarbonylContact O-C 3.52Å; V291-T299 WeakPolarHBondContact O-CA 3.41Å; V291-T299 WeakPolarHBondContact O-CB 3.49Å; V291-Y300 PolarHBondContact N-O 3.15Å; V291-Y300 PolarHBondContact O-N 2.83Å; V291-I302 HydrophobicContact CG1-CD1 3.82Å; V291-I302 HydrophobicContact CG1-CG1 4.38Å; V291-I302 HydrophobicContact CG2-CG1 4.31Å; V291-L363 HydrophobicContact CG2-CD1 4.44Å; V291-C368 HydrophobicContact CB-CB 3.99Å; V291-C368 HydrophobicContact CG1-CB 4.07Å; V291-C368 HydrophobicContact CG2-CB 4.13Å; V291-R369 CarbonylContact C-O 3.54Å; V291-R369 WeakPolarHBondContact CA-O 3.45Å; V291-R369 WeakPolarHBondContact CB-O 3.42Å
292	L	89.2	Confident	86.1	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143	162.6	-168.7	78.7	0	0	0	108.6	V213 W234 M259 N297 R298 T299 C368 R369 T371	V213-L292 HydrophobicContact CG1-CD1 4.08Å; W234-L292 HydrophobicContact CH2-CD2 3.45Å; W234-L292 VanDerWaalsContact CH2-CD2 3.45Å; W234-L292 HydrophobicContact CZ2-CD2 4.17Å; W234-L292 HydrophobicContact CZ3-CD2 3.86Å; M259-L292 HydrophobicContact CE-CB 3.59Å; M259-L292 HydrophobicContact CE-CD2 3.52Å; M259-L292 HydrophobicContact CE-CG 4.17Å; M259-L292 HydrophobicContact SD-CB 4.49Å; M259-L292 HydrophobicContact SD-CD2 4.17Å; L292-N297 WeakPolarHBondContact CD1-O 3.47Å; L292-R298 WeakPolarHBondContact CA-O 3.4Å; L292-T299 HydrophobicContact CD1-CG2 3.58Å; L292-C368 WeakPolarHBondContact O-CA 3.46Å; L292-R369 PolarHBondContact N-O 3.49Å; L292-R369 PolarHBondContact O-N 2.9Å; L292-T371 HydrophobicContact CB-CG2 3.93Å
293	T	90.1	Very high	86.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	104.6	168.4	44.7	0	0	0	0	110.1	Y295 N296 N297 R298 Y300 L363	T293-Y295 VanDerWaalsContact CB-CE1 3.42Å; T293-Y295 HydrophobicContact CG2-CE1 3.67Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.48Å; T293-Y295 PolarHBondContact O-N 3.12Å; T293-Y295 VanDerWaalsContact O-N 3.07Å; T293-N296 PolarHBondContact O-N 3.08Å; T293-N296 PolarHBondContact O-OD1 2.97Å; T293-N296 VanDerWaalsContact O-OD1 3.12Å; T293-N296 PolarHBondContact OG1-OD1 2.92Å; T293-N297 PolarHBondContact O-N 2.95Å; T293-R298 PolarHBondContact N-O 2.66Å; T293-R298 PolarHBondContact OG1-O 2.79Å; T293-Y300 HydrophobicContact CG2-CD2 4.19Å; T293-Y300 HydrophobicContact CG2-CE2 4.24Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.11Å; T293-L363 HydrophobicContact CG2-CD2 4.28Å
294	D	81	Confident	86.5	Confident	69 Å²	69	50.9 Å²	50.9	37%	0.369	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.2	-169.7	-71.4	9.8	0	0	0	113.5	N296 R369	D294-N296 PolarHBondContact O-N 3.49Å; D294-R369 WeakPolarHBondContact OD1-CD 3.26Å; D294-R369 WeakPolarHBondContact OD2-CD 3.32Å; D294-R369 IonicContact OD2-CZ 2.94Å; D294-R369 IonicContact OD2-NE 2.76Å; D294-R369 IonicContact OD2-NH1 3.32Å; D294-R369 PolarHBondContact OD2-NH1 3.02Å
295	Y	85.3	Confident	86.9	Confident	35 Å²	35	45 Å²	45	14%	0.137	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-6.7	179	61	-99.2	0	0	0	115.2	T293 Y328 Y332 I334 L367	T293-Y295 VanDerWaalsContact CB-CE1 3.42Å; T293-Y295 HydrophobicContact CG2-CE1 3.67Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.48Å; T293-Y295 PolarHBondContact O-N 3.12Å; T293-Y295 VanDerWaalsContact O-N 3.07Å; Y295-Y328 HydrophobicContact CD1-CE1 4.48Å; Y295-Y328 HydrophobicContact CD2-CE1 4.38Å; Y295-Y328 HydrophobicContact CE1-CD1 4.44Å; Y295-Y328 AromaticContact CE1-CE1 3.83Å; Y295-Y328 HydrophobicContact CE1-CE1 3.83Å; Y295-Y328 AromaticContact CE2-CE1 3.71Å; Y295-Y328 HydrophobicContact CE2-CE1 3.71Å; Y295-Y328 AromaticContact CZ-CE1 3.41Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.41Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.33Å; Y295-Y328 PolarHBondContact OH-OH 2.86Å; Y295-Y328 VanDerWaalsContact OH-OH 3.11Å; Y295-Y332 AromaticContact CD2-CD1 3.86Å; Y295-Y332 HydrophobicContact CD2-CD1 3.86Å; Y295-Y332 AromaticContact CD2-CD2 3.95Å; Y295-Y332 HydrophobicContact CD2-CD2 3.95Å; Y295-Y332 AromaticContact CD2-CE1 3.66Å; Y295-Y332 HydrophobicContact CD2-CE1 3.66Å; Y295-Y332 AromaticContact CD2-CE2 3.73Å; Y295-Y332 HydrophobicContact CD2-CE2 3.73Å; Y295-Y332 AromaticContact CD2-CG 4Å; Y295-Y332 HydrophobicContact CD2-CG 4Å; Y295-Y332 AromaticContact CD2-CZ 3.56Å; Y295-Y332 HydrophobicContact CE2-CD2 4.41Å; Y295-Y332 HydrophobicContact CE2-CE1 4.36Å; Y295-Y332 AromaticContact CE2-CE2 3.85Å; Y295-Y332 HydrophobicContact CE2-CE2 3.85Å; Y295-Y332 AromaticContact CE2-CZ 3.81Å; Y295-Y332 HydrophobicContact CG-CD1 4.4Å; Y295-Y332 HydrophobicContact CG-CG 4.36Å; Y295-I334 VanDerWaalsContact CB-CD1 3.45Å; Y295-I334 HydrophobicContact CD1-CD1 4.36Å; Y295-I334 HydrophobicContact CG-CD1 4.22Å; Y295-L367 HydrophobicContact CD1-CB 4.14Å; Y295-L367 HydrophobicContact CD1-CD1 4.39Å; Y295-L367 HydrophobicContact CE1-CB 3.82Å; Y295-L367 HydrophobicContact CE1-CD1 4.22Å
296	N	83.9	Confident	87.3	Confident	37 Å²	37	43.2 Å²	43.2	20%	0.198	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153.6	6.4	176.2	68.4	17.8	0	0	0	115	T293 D294 R298 Y332	T293-N296 PolarHBondContact O-N 3.08Å; T293-N296 PolarHBondContact O-OD1 2.97Å; T293-N296 VanDerWaalsContact O-OD1 3.12Å; T293-N296 PolarHBondContact OG1-OD1 2.92Å; D294-N296 PolarHBondContact O-N 3.49Å; N296-R298 HydrophobicContact CB-CG 4.44Å; N296-R298 PolarHBondContact O-N 3.22Å; N296-R298 VanDerWaalsContact OD1-CB 3.24Å; N296-R298 WeakPolarHBondContact OD1-CB 3.48Å; N296-R298 WeakPolarHBondContact OD1-CG 3.46Å; N296-R298 PolarHBondContact OD1-N 3.35Å; N296-Y332 HydrophobicContact CB-CE1 4.48Å
297	N	79.6	Confident	87.5	Confident	23 Å²	23	45.9 Å²	45.9	12%	0.123	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	23	-177.9	-61.2	-58.8	0	0	0	116.1	E211 W234 L292 T293	E211-N297 HydrophobicContact CB-CB 4.25Å; E211-N297 HydrophobicContact CG-CB 4.17Å; E211-N297 WeakPolarHBondContact CG-ND2 3.49Å; E211-N297 PolarHBondContact OE1-ND2 2.98Å; E211-N297 VanDerWaalsContact OE1-ND2 3.11Å; E211-N297 WeakPolarHBondContact OE2-CB 3.46Å; E211-N297 PolarHBondContact OE2-ND2 3.07Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.36Å; L292-N297 WeakPolarHBondContact CD1-O 3.47Å; T293-N297 PolarHBondContact O-N 2.95Å
298	R	83.4	Confident	87.7	Confident	156 Å²	156	46.4 Å²	46.4	59%	0.589	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	142.8	176.4	-63.4	-178.1	179.7	-161.5	-3.2	111.4	L292 T293 N296 Y300	L292-R298 WeakPolarHBondContact CA-O 3.4Å; T293-R298 PolarHBondContact N-O 2.66Å; T293-R298 PolarHBondContact OG1-O 2.79Å; N296-R298 HydrophobicContact CB-CG 4.44Å; N296-R298 PolarHBondContact O-N 3.22Å; N296-R298 VanDerWaalsContact OD1-CB 3.24Å; N296-R298 WeakPolarHBondContact OD1-CB 3.48Å; N296-R298 WeakPolarHBondContact OD1-CG 3.46Å; N296-R298 PolarHBondContact OD1-N 3.35Å; R298-Y300 HydrophobicContact CB-CD2 4.39Å; R298-Y300 HydrophobicContact CB-CE2 3.59Å; R298-Y300 WeakPolarHBondContact CD-OH 3.45Å
299	T	85.1	Confident	88.3	Confident	46 Å²	46	46.8 Å²	46.8	28%	0.282	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.1	172.6	53.5	0	0	0	0	112.3	V213 I290 V291 L292 T371	V213-T299 HydrophobicContact CG1-CG2 3.63Å; I290-T299 HydrophobicContact CG2-CG2 4.27Å; V291-T299 CarbonylContact O-C 3.52Å; V291-T299 WeakPolarHBondContact O-CA 3.41Å; V291-T299 WeakPolarHBondContact O-CB 3.49Å; L292-T299 HydrophobicContact CD1-CG2 3.58Å; T299-T371 HydrophobicContact CG2-CG2 4.46Å
300	Y	87.8	Confident	88.7	Confident	36 Å²	36	47 Å²	47	14%	0.141	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.7	178.5	-61.8	-84.9	0	0	0	110	I290 V291 T293 R298 V361 L363	I290-Y300 CarbonylContact C-O 3.59Å; I290-Y300 VanDerWaalsContact CA-O 3.31Å; I290-Y300 WeakPolarHBondContact CA-O 3.34Å; V291-Y300 PolarHBondContact N-O 3.15Å; V291-Y300 PolarHBondContact O-N 2.83Å; T293-Y300 HydrophobicContact CG2-CD2 4.19Å; T293-Y300 HydrophobicContact CG2-CE2 4.24Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.11Å; R298-Y300 HydrophobicContact CB-CD2 4.39Å; R298-Y300 HydrophobicContact CB-CE2 3.59Å; R298-Y300 WeakPolarHBondContact CD-OH 3.45Å; Y300-V361 HydrophobicContact CD1-CB 4.44Å; Y300-V361 HydrophobicContact CD1-CG1 4.18Å; Y300-V361 HydrophobicContact CE1-CB 4.23Å; Y300-V361 HydrophobicContact CE1-CG1 3.72Å; Y300-V361 HydrophobicContact CE1-CG2 4.17Å; Y300-L363 HydrophobicContact CD1-CD1 4.32Å; Y300-L363 HydrophobicContact CD2-CD1 3.65Å; Y300-L363 HydrophobicContact CD2-CD2 4.25Å; Y300-L363 HydrophobicContact CE2-CD1 4.37Å; Y300-L363 HydrophobicContact CE2-CD2 4.14Å; Y300-L363 HydrophobicContact CG-CD1 3.61Å
301	R	88.6	Confident	89.2	Confident	126 Å²	126	43.2 Å²	43.2	48%	0.475	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.6	171.1	177.7	175.8	173	169.3	-2.4	108.1	D288 L289 I290 N303 S346	D288-R301 IonicContact OD1-CZ 2.93Å; D288-R301 IonicContact OD1-NE 3.07Å; D288-R301 PolarHBondContact OD1-NE 3.2Å; D288-R301 IonicContact OD1-NH2 3.68Å; D288-R301 PolarHBondContact OD1-NH2 2.76Å; D288-R301 IonicContact OD2-CZ 2.93Å; D288-R301 IonicContact OD2-NH2 2.7Å; D288-R301 PolarHBondContact OD2-NH2 3.01Å; L289-R301 WeakPolarHBondContact O-CA 3.42Å; I290-R301 HydrophobicContact CG1-CB 4.37Å; R301-N303 PolarHBondContact O-N 2.96Å; R301-N303 PolarHBondContact O-OD1 2.7Å; R301-S346 WeakPolarHBondContact O-CB 3.23Å
302	I	90.7	Very high	89.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.248	C	C	.	.			trans	-74.6	123.4	178.6	-51.8	171.4	0	0	0	108.1	I264 V286 L287 D288 L289 V291 D304 V305 L344	I264-I302 HydrophobicContact CD1-CD1 3.73Å; I264-I302 HydrophobicContact CG1-CD1 3.92Å; V286-I302 HydrophobicContact CG1-CD1 3.49Å; V286-I302 VanDerWaalsContact CG1-CD1 3.49Å; V286-I302 HydrophobicContact CG1-CG2 4.13Å; L287-I302 HydrophobicContact CD2-CG2 4.18Å; D288-I302 WeakPolarHBondContact CA-O 3.39Å; D288-I302 PolarHBondContact N-O 3.49Å; L289-I302 HydrophobicContact CB-CD1 4.5Å; L289-I302 PolarHBondContact O-N 3.43Å; V291-I302 HydrophobicContact CG1-CD1 3.82Å; V291-I302 HydrophobicContact CG1-CG1 4.38Å; V291-I302 HydrophobicContact CG2-CG1 4.31Å; I302-D304 WeakPolarHBondContact CG2-O 3.45Å; I302-V305 HydrophobicContact CG2-CG2 4.34Å; I302-L344 HydrophobicContact CD1-CD1 3.82Å; I302-L344 HydrophobicContact CD1-CD2 4.27Å; I302-L344 HydrophobicContact CG1-CD1 4.36Å; I302-L344 HydrophobicContact CG2-CB 4.35Å; I302-L344 HydrophobicContact CG2-CD2 4.37Å
303	N	89.1	Confident	89.7	Confident	49 Å²	49	50.9 Å²	50.9	26%	0.262	26%	0.258	S	S	.	.			trans	-111	-22.3	179.8	-63.9	126.8	0	0	0	113	R301 I345 K347	R301-N303 PolarHBondContact O-N 2.96Å; R301-N303 PolarHBondContact O-OD1 2.7Å; N303-I345 PolarHBondContact N-O 3.44Å; N303-K347 HydrophobicContact CB-CB 4.4Å; N303-K347 HydrophobicContact CB-CG 4.18Å; N303-K347 PolarHBondContact OD1-N 3.07Å; N303-K347 PolarHBondContact OD1-O 2.84Å
304	D	91.1	Very high	89.9	Confident	57 Å²	57	55.1 Å²	55.1	31%	0.305	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	167.1	171.3	-136.4	-35.6	0	0	0	111.3	I302 I345	I302-D304 WeakPolarHBondContact CG2-O 3.45Å; D304-I345 HydrophobicContact CB-CB 3.91Å; D304-I345 HydrophobicContact CB-CD1 4.22Å; D304-I345 HydrophobicContact CB-CG2 4.44Å; D304-I345 PolarHBondContact N-O 3.03Å; D304-I345 VanDerWaalsContact N-O 3.13Å; D304-I345 PolarHBondContact O-N 2.83Å
305	V	92.6	Very high	90.4	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	118	169.5	-177.4	0	0	0	0	108.5	M268 V282 V286 L287 I302 F307 P342 L344	M268-V305 HydrophobicContact CE-CG1 3.72Å; M268-V305 HydrophobicContact CE-CG2 4.32Å; V282-V305 HydrophobicContact CG1-CG1 4.48Å; V286-V305 HydrophobicContact CG1-CG2 3.97Å; L287-V305 HydrophobicContact CD2-CG2 4.28Å; I302-V305 HydrophobicContact CG2-CG2 4.34Å; V305-F307 HydrophobicContact CB-CD2 4.45Å; V305-F307 HydrophobicContact CB-CE2 3.79Å; V305-F307 HydrophobicContact CB-CZ 4.2Å; V305-F307 HydrophobicContact CG1-CD2 4.06Å; V305-F307 HydrophobicContact CG1-CE1 4.21Å; V305-F307 HydrophobicContact CG1-CE2 3.54Å; V305-F307 HydrophobicContact CG1-CZ 3.64Å; V305-F307 WeakPolarHBondContact O-CD2 3.27Å; V305-P342 HydrophobicContact CG1-CB 4.01Å; V305-P342 HydrophobicContact CG1-CG 4.21Å; V305-L344 HydrophobicContact CG1-CD2 4.45Å; V305-L344 HydrophobicContact CG2-CD2 4.02Å
306	D	93.3	Very high	90.5	Very high	42 Å²	42	56.8 Å²	56.8	23%	0.225	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.3	178.7	-169.7	-23.7	0	0	0	109.6	G308 Q309 P342 L343 I345	D306-G308 WeakPolarHBondContact OD1-CA 3.34Å; D306-G308 PolarHBondContact OD1-N 3.42Å; D306-Q309 PolarHBondContact OD1-N 2.87Å; D306-Q309 VanDerWaalsContact OD1-N 3.07Å; D306-Q309 PolarHBondContact OD2-NE2 3.25Å; D306-P342 CarbonylContact O-C 3.5Å; D306-P342 WeakPolarHBondContact O-CA 3.47Å; D306-P342 WeakPolarHBondContact O-CB 3.46Å; D306-L343 PolarHBondContact N-O 2.92Å; D306-L343 PolarHBondContact O-N 3.17Å; D306-I345 HydrophobicContact CB-CD1 3.92Å; D306-I345 HydrophobicContact CB-CG1 4.38Å
307	F	91.5	Very high	90.2	Very high	55 Å²	55	57.2 Å²	57.2	24%	0.241	30%	0.304	C	S	.	.	S	Bend	trans	-99.1	-2	177.7	-61.7	-97.3	0	0	0	112.8	Q279 V282 R283 V305 P342	Q279-F307 HydrophobicContact CB-CD2 4.4Å; Q279-F307 HydrophobicContact CB-CE1 4.24Å; Q279-F307 HydrophobicContact CB-CE2 3.92Å; Q279-F307 HydrophobicContact CB-CZ 3.82Å; Q279-F307 HydrophobicContact CG-CD1 3.94Å; Q279-F307 HydrophobicContact CG-CD2 4.11Å; Q279-F307 HydrophobicContact CG-CE1 3.9Å; Q279-F307 HydrophobicContact CG-CE2 4.07Å; Q279-F307 HydrophobicContact CG-CG 4.05Å; Q279-F307 HydrophobicContact CG-CZ 3.96Å; V282-F307 HydrophobicContact CB-CZ 4.1Å; V282-F307 HydrophobicContact CG1-CE1 4.31Å; V282-F307 HydrophobicContact CG1-CZ 3.77Å; R283-F307 HydrophobicContact CG-CE2 4.48Å; R283-F307 VanDerWaalsContact NH2-CD2 3.32Å; V305-F307 HydrophobicContact CB-CD2 4.45Å; V305-F307 HydrophobicContact CB-CE2 3.79Å; V305-F307 HydrophobicContact CB-CZ 4.2Å; V305-F307 HydrophobicContact CG1-CD2 4.06Å; V305-F307 HydrophobicContact CG1-CE1 4.21Å; V305-F307 HydrophobicContact CG1-CE2 3.54Å; V305-F307 HydrophobicContact CG1-CZ 3.64Å; V305-F307 WeakPolarHBondContact O-CD2 3.27Å; F307-P342 HydrophobicContact CD1-CB 3.83Å; F307-P342 HydrophobicContact CD1-CG 4.16Å; F307-P342 HydrophobicContact CE1-CB 4.26Å; F307-P342 HydrophobicContact CE1-CG 4.17Å; F307-P342 HydrophobicContact CG-CB 4.21Å
308	G	92.3	Very high	90	Very high	72 Å²	72	66.2 Å²	66.2	74%	0.742	34%	0.342	S	S	*	.	S	Bend	trans	-90.8	-23	174	0	0	0	0	0	113.1	D306	D306-G308 WeakPolarHBondContact OD1-CA 3.34Å; D306-G308 PolarHBondContact OD1-N 3.42Å
309	Q	94.2	Very high	89.8	Confident	63 Å²	63	62.2 Å²	62.2	29%	0.294	35%	0.349	S	S	.	.			trans	-101.5	156.3	173.7	-66.3	-173.8	78.2	0	0	113	D306 L343	D306-Q309 PolarHBondContact OD1-N 2.87Å; D306-Q309 VanDerWaalsContact OD1-N 3.07Å; D306-Q309 PolarHBondContact OD2-NE2 3.25Å; Q309-L343 HydrophobicContact CB-CD1 3.55Å; Q309-L343 HydrophobicContact CB-CG 4.06Å
310	T	96.1	Very high	89.9	Confident	39 Å²	39	69.9 Å²	69.9	24%	0.239	37%	0.373	C	S	.	.			trans	-139.3	171.9	-178.5	64.1	0	0	0	0	110.5	K312 S313 H339	T310-K312 PolarHBondContact O-N 3.27Å; T310-K312 PolarHBondContact OG1-N 2.93Å; T310-S313 PolarHBondContact N-OG 2.96Å; T310-S313 WeakPolarHBondContact O-CB 3.42Å; T310-S313 PolarHBondContact O-N 3.41Å; T310-S313 PolarHBondContact O-OG 2.9Å; T310-H339 WeakPolarHBondContact CB-O 3.47Å
311	P	96.9	Very high	90	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.5	171.9	-31.4	37.9	0	0	0	115.8	F324 V325 I336 Q341 L343 I364	P311-F324 WeakPolarHBondContact O-CB 3.44Å; P311-F324 PolarHBondContact O-N 2.78Å; P311-V325 HydrophobicContact CB-CG2 3.84Å; P311-V325 PolarHBondContact O-N 2.99Å; P311-I336 HydrophobicContact CB-CD1 3.91Å; P311-I336 HydrophobicContact CB-CG2 4.13Å; P311-I336 HydrophobicContact CG-CD1 4.46Å; P311-I336 HydrophobicContact CG-CG2 4.01Å; P311-Q341 VanDerWaalsContact CD-O 3.26Å; P311-Q341 WeakPolarHBondContact CD-O 3.14Å; P311-Q341 HydrophobicContact CG-CG 3.72Å; P311-L343 HydrophobicContact CG-CD2 4.43Å; P311-I364 HydrophobicContact CB-CD1 4.28Å; P311-I364 HydrophobicContact CG-CD1 4.05Å
312	K	96.4	Very high	90.3	Very high	131 Å²	131	69.3 Å²	69.3	57%	0.57	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-18.6	173.5	-70.5	171.5	170.6	170.4	0	113.3	T310 H339	T310-K312 PolarHBondContact O-N 3.27Å; T310-K312 PolarHBondContact OG1-N 2.93Å; K312-H339 HydrophobicContact CD-CB 4.29Å; K312-H339 HydrophobicContact CG-CB 4.28Å
313	S	95.6	Very high	90.5	Very high	30 Å²	30	69.6 Å²	69.6	21%	0.21	38%	0.384	C	S	.	.			trans	-62.3	148.1	175	-58.3	0	0	0	0	110.9	T310 S323 F324	T310-S313 PolarHBondContact N-OG 2.96Å; T310-S313 WeakPolarHBondContact O-CB 3.42Å; T310-S313 PolarHBondContact O-N 3.41Å; T310-S313 PolarHBondContact O-OG 2.9Å; S313-S323 WeakPolarHBondContact O-CA 3.49Å; S313-F324 WeakPolarHBondContact O-CD2 3.18Å; S313-F324 PolarHBondContact O-N 2.77Å
314	T	93.3	Very high	90.9	Very high	89 Å²	89	67.6 Å²	67.6	55%	0.546	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	157.1	-178.1	51.8	0	0	0	0	112.2	I322	T314-I322 VanDerWaalsContact CA-O 3.3Å; T314-I322 WeakPolarHBondContact CA-O 3.39Å
315	F	90.8	Very high	91.1	Very high	60 Å²	60	66.5 Å²	66.5	26%	0.263	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.6	169.6	73.6	-79.3	0	0	0	110.8	C317 I322 F324 Y327	F315-C317 HydrophobicContact CD2-CB 4.47Å; F315-C317 HydrophobicContact CE2-CB 3.9Å; F315-C317 HydrophobicContact CZ-CB 4.43Å; F315-C317 PolarHBondContact O-N 2.73Å; F315-I322 HydrophobicContact CD1-CG2 4.4Å; F315-I322 HydrophobicContact CE1-CG2 3.96Å; F315-I322 HydrophobicContact CZ-CG2 4.06Å; F315-I322 PolarHBondContact N-O 3.23Å; F315-I322 PolarHBondContact O-N 3.15Å; F315-I322 VanDerWaalsContact O-N 3.12Å; F315-F324 HydrophobicContact CB-CZ 4.3Å; F315-F324 AromaticContact CD1-CD1 3.74Å; F315-F324 HydrophobicContact CD1-CD1 3.74Å; F315-F324 AromaticContact CD1-CE1 3.48Å; F315-F324 HydrophobicContact CD1-CE1 3.48Å; F315-F324 VanDerWaalsContact CD1-CE1 3.48Å; F315-F324 HydrophobicContact CD1-CE2 4.37Å; F315-F324 HydrophobicContact CD1-CG 4.3Å; F315-F324 AromaticContact CD1-CZ 3.82Å; F315-F324 HydrophobicContact CD1-CZ 3.82Å; F315-F324 AromaticContact CE1-CD1 3.7Å; F315-F324 HydrophobicContact CE1-CD1 3.7Å; F315-F324 AromaticContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CG 4.41Å; F315-F324 HydrophobicContact CG-CE1 4.14Å; F315-F324 HydrophobicContact CG-CZ 4.28Å; F315-Y327 HydrophobicContact CE1-CD1 4.19Å; F315-Y327 HydrophobicContact CE1-CD2 4.4Å; F315-Y327 AromaticContact CE1-CG 3.93Å; F315-Y327 HydrophobicContact CE1-CG 3.93Å; F315-Y327 AromaticContact CZ-CD1 3.93Å; F315-Y327 HydrophobicContact CZ-CD1 3.93Å; F315-Y327 AromaticContact CZ-CD2 3.68Å; F315-Y327 HydrophobicContact CZ-CD2 3.68Å; F315-Y327 HydrophobicContact CZ-CE1 4.25Å; F315-Y327 HydrophobicContact CZ-CE2 4.02Å; F315-Y327 AromaticContact CZ-CG 3.61Å; F315-Y327 HydrophobicContact CZ-CG 3.61Å
316	S	87.3	Confident	91.2	Very high	78 Å²	78	71.1 Å²	71.1	55%	0.545	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.4	-178.8	-149.5	0	0	0	0	112.5	D321	S316-D321 WeakPolarHBondContact CA-OD1 3.42Å; S316-D321 WeakPolarHBondContact CB-OD1 3.39Å; S316-D321 PolarHBondContact OG-OD1 2.66Å
317	C	78.6	Confident	91.3	Very high	46 Å²	46	70.9 Å²	70.9	31%	0.311	39%	0.385	S	S	.	.	S	Bend	trans	-123.7	99.6	-179.6	179.5	0	0	0	0	110.2	F315 R320 I322	F315-C317 HydrophobicContact CD2-CB 4.47Å; F315-C317 HydrophobicContact CE2-CB 3.9Å; F315-C317 HydrophobicContact CZ-CB 4.43Å; F315-C317 PolarHBondContact O-N 2.73Å; C317-R320 PolarHBondContact N-O 2.82Å; C317-R320 PolarHBondContact O-N 3.46Å; C317-I322 HydrophobicContact CB-CG2 3.9Å
318	K	75.6	Confident	91.5	Very high	213 Å²	213	68.7 Å²	68.7	93%	0.926	38%	0.375	S	S	*	.	S	Bend	trans	58.9	37.7	-176.4	-51.7	175.5	177	177.1	0	114.1
319	G	79.3	Confident	91.7	Very high	71 Å²	71	68.4 Å²	68.4	73%	0.732	36%	0.357	S	S	*	.	S	Bend	trans	77.8	20.4	-179.7	0	0	0	0	0	114.4
320	R	86.6	Confident	91.6	Very high	208 Å²	208	71 Å²	71	79%	0.785	38%	0.377	S	S	*	.			trans	-128.4	132.1	162.7	-65.5	-173.8	-178.5	-171.8	-1.3	108.5	C317	C317-R320 PolarHBondContact N-O 2.82Å; C317-R320 PolarHBondContact O-N 3.46Å
321	D	90.3	Very high	91.4	Very high	114 Å²	114	74.7 Å²	74.7	61%	0.61	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.5	174.4	-62.2	-12.3	0	0	0	109.2	S316	S316-D321 WeakPolarHBondContact CA-OD1 3.42Å; S316-D321 WeakPolarHBondContact CB-OD1 3.39Å; S316-D321 PolarHBondContact OG-OD1 2.66Å
322	I	95.1	Very high	91.3	Very high	35 Å²	35	77.7 Å²	77.7	18%	0.179	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	142	-172.1	-172.4	168.3	0	0	0	109.1	T314 F315 C317 E326	T314-I322 VanDerWaalsContact CA-O 3.3Å; T314-I322 WeakPolarHBondContact CA-O 3.39Å; F315-I322 HydrophobicContact CD1-CG2 4.4Å; F315-I322 HydrophobicContact CE1-CG2 3.96Å; F315-I322 HydrophobicContact CZ-CG2 4.06Å; F315-I322 PolarHBondContact N-O 3.23Å; F315-I322 PolarHBondContact O-N 3.15Å; F315-I322 VanDerWaalsContact O-N 3.12Å; C317-I322 HydrophobicContact CB-CG2 3.9Å; I322-E326 HydrophobicContact CD1-CB 3.98Å; I322-E326 HydrophobicContact CG1-CB 3.59Å
323	S	95.7	Very high	91.2	Very high	8 Å²	8	77.8 Å²	77.8	6%	0.056	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	157.2	174.6	74.4	0	0	0	0	111.2	S313 V325 E326 Y327	S313-S323 WeakPolarHBondContact O-CA 3.49Å; S323-V325 VanDerWaalsContact C-N 3.26Å; S323-V325 PolarHBondContact O-N 3.32Å; S323-E326 VanDerWaalsContact CB-OE1 3.26Å; S323-E326 WeakPolarHBondContact CB-OE1 3.38Å; S323-E326 PolarHBondContact N-OE2 3Å; S323-E326 PolarHBondContact O-N 3.33Å; S323-E326 WeakPolarHBondContact OG-CB 3.3Å; S323-E326 WeakPolarHBondContact OG-CG 3.46Å; S323-E326 PolarHBondContact OG-N 3.08Å; S323-E326 VanDerWaalsContact OG-N 3.07Å; S323-E326 PolarHBondContact OG-OE1 2.81Å; S323-Y327 WeakPolarHBondContact O-CB 3.36Å; S323-Y327 PolarHBondContact O-N 3.13Å
324	F	95.6	Very high	91.2	Very high	7 Å²	7	78.6 Å²	78.6	3%	0.031	41%	0.41	C	S	.	.	H	α-helix	trans	-61.3	-38.2	173.2	-65.1	-77.7	0	0	0	111.3	P311 S313 F315 Y327 Y328 L343 V362 I364	P311-F324 WeakPolarHBondContact O-CB 3.44Å; P311-F324 PolarHBondContact O-N 2.78Å; S313-F324 WeakPolarHBondContact O-CD2 3.18Å; S313-F324 PolarHBondContact O-N 2.77Å; F315-F324 HydrophobicContact CB-CZ 4.3Å; F315-F324 AromaticContact CD1-CD1 3.74Å; F315-F324 HydrophobicContact CD1-CD1 3.74Å; F315-F324 AromaticContact CD1-CE1 3.48Å; F315-F324 HydrophobicContact CD1-CE1 3.48Å; F315-F324 VanDerWaalsContact CD1-CE1 3.48Å; F315-F324 HydrophobicContact CD1-CE2 4.37Å; F315-F324 HydrophobicContact CD1-CG 4.3Å; F315-F324 AromaticContact CD1-CZ 3.82Å; F315-F324 HydrophobicContact CD1-CZ 3.82Å; F315-F324 AromaticContact CE1-CD1 3.7Å; F315-F324 HydrophobicContact CE1-CD1 3.7Å; F315-F324 AromaticContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CG 4.41Å; F315-F324 HydrophobicContact CG-CE1 4.14Å; F315-F324 HydrophobicContact CG-CZ 4.28Å; F324-Y327 PolarHBondContact O-N 3.34Å; F324-Y328 HydrophobicContact CB-CD2 4.28Å; F324-Y328 HydrophobicContact CB-CE2 4.35Å; F324-Y328 HydrophobicContact CD1-CE2 4.24Å; F324-Y328 WeakPolarHBondContact O-CD2 3.27Å; F324-Y328 PolarHBondContact O-N 2.9Å; 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 4.01Å; F324-V362 HydrophobicContact CE1-CG1 4.06Å; F324-V362 HydrophobicContact CE2-CG1 4.39Å; F324-V362 HydrophobicContact CZ-CB 3.9Å; F324-V362 HydrophobicContact CZ-CG1 3.69Å; F324-I364 HydrophobicContact CB-CD1 3.82Å; F324-I364 HydrophobicContact CG-CD1 4.15Å
325	V	96.5	Very high	91.3	Very high	34 Å²	34	84 Å²	84	21%	0.206	42%	0.42	C	S	.	.	H	α-helix	trans	-56.6	-53	175	174.9	0	0	0	0	111.5	P311 S323 Y327 Y328 L329 I336	P311-V325 HydrophobicContact CB-CG2 3.84Å; P311-V325 PolarHBondContact O-N 2.99Å; S323-V325 VanDerWaalsContact C-N 3.26Å; S323-V325 PolarHBondContact O-N 3.32Å; V325-Y327 PolarHBondContact O-N 3.47Å; V325-Y328 PolarHBondContact O-N 2.92Å; V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.32Å; V325-L329 PolarHBondContact O-N 3.17Å; V325-I336 HydrophobicContact CG2-CB 4.48Å; V325-I336 HydrophobicContact CG2-CD1 4.15Å
326	E	95.2	Very high	91.6	Very high	99 Å²	99	81.5 Å²	81.5	46%	0.463	41%	0.41	S	S	.	.	H	α-helix	trans	-62.9	-40.6	178.5	-74.2	145.6	-121	0	0	112.5	I322 S323 L329 T330	I322-E326 HydrophobicContact CD1-CB 3.98Å; I322-E326 HydrophobicContact CG1-CB 3.59Å; S323-E326 VanDerWaalsContact CB-OE1 3.26Å; S323-E326 WeakPolarHBondContact CB-OE1 3.38Å; S323-E326 PolarHBondContact N-OE2 3Å; S323-E326 PolarHBondContact O-N 3.33Å; S323-E326 WeakPolarHBondContact OG-CB 3.3Å; S323-E326 WeakPolarHBondContact OG-CG 3.46Å; S323-E326 PolarHBondContact OG-N 3.08Å; S323-E326 VanDerWaalsContact OG-N 3.07Å; S323-E326 PolarHBondContact OG-OE1 2.81Å; E326-L329 PolarHBondContact O-N 2.92Å; E326-T330 WeakPolarHBondContact O-CB 3.47Å; E326-T330 PolarHBondContact O-N 2.94Å; E326-T330 PolarHBondContact O-OG1 2.9Å
327	Y	95	Very high	92	Very high	37 Å²	37	87.3 Å²	87.3	15%	0.145	42%	0.42	C	S	.	.	H	α-helix	trans	-64.9	-45.4	179.8	168.7	-99.9	0	0	0	112	F315 S323 F324 V325 K331 Y332	F315-Y327 HydrophobicContact CE1-CD1 4.19Å; F315-Y327 HydrophobicContact CE1-CD2 4.4Å; F315-Y327 AromaticContact CE1-CG 3.93Å; F315-Y327 HydrophobicContact CE1-CG 3.93Å; F315-Y327 AromaticContact CZ-CD1 3.93Å; F315-Y327 HydrophobicContact CZ-CD1 3.93Å; F315-Y327 AromaticContact CZ-CD2 3.68Å; F315-Y327 HydrophobicContact CZ-CD2 3.68Å; F315-Y327 HydrophobicContact CZ-CE1 4.25Å; F315-Y327 HydrophobicContact CZ-CE2 4.02Å; F315-Y327 AromaticContact CZ-CG 3.61Å; F315-Y327 HydrophobicContact CZ-CG 3.61Å; S323-Y327 WeakPolarHBondContact O-CB 3.36Å; S323-Y327 PolarHBondContact O-N 3.13Å; F324-Y327 PolarHBondContact O-N 3.34Å; V325-Y327 PolarHBondContact O-N 3.47Å; Y327-K331 HydrophobicContact CD2-CD 4.2Å; Y327-K331 HydrophobicContact CE2-CD 3.42Å; Y327-K331 VanDerWaalsContact CE2-CD 3.42Å; Y327-K331 WeakPolarHBondContact O-CB 3.49Å; Y327-K331 PolarHBondContact O-N 2.85Å; Y327-K331 PolarHBondContact OH-NZ 3.09Å; Y327-Y332 HydrophobicContact CE1-CE2 4.11Å
328	Y	95.7	Very high	92.8	Very high	8 Å²	8	87 Å²	87	3%	0.031	42%	0.415	C	S	.	.	H	α-helix	trans	-70.3	-34.2	178.7	-77.5	-67.4	0	0	0	112.3	Y295 F324 V325 Y332 N333 I334 I336 I364 L367	Y295-Y328 HydrophobicContact CD1-CE1 4.48Å; Y295-Y328 HydrophobicContact CD2-CE1 4.38Å; Y295-Y328 HydrophobicContact CE1-CD1 4.44Å; Y295-Y328 AromaticContact CE1-CE1 3.83Å; Y295-Y328 HydrophobicContact CE1-CE1 3.83Å; Y295-Y328 AromaticContact CE2-CE1 3.71Å; Y295-Y328 HydrophobicContact CE2-CE1 3.71Å; Y295-Y328 AromaticContact CZ-CE1 3.41Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.41Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.33Å; Y295-Y328 PolarHBondContact OH-OH 2.86Å; Y295-Y328 VanDerWaalsContact OH-OH 3.11Å; F324-Y328 HydrophobicContact CB-CD2 4.28Å; F324-Y328 HydrophobicContact CB-CE2 4.35Å; F324-Y328 HydrophobicContact CD1-CE2 4.24Å; F324-Y328 WeakPolarHBondContact O-CD2 3.27Å; F324-Y328 PolarHBondContact O-N 2.9Å; V325-Y328 PolarHBondContact O-N 2.92Å; Y328-Y332 AromaticContact CD1-CD2 3.71Å; Y328-Y332 HydrophobicContact CD1-CD2 3.71Å; Y328-Y332 HydrophobicContact CD1-CE2 4.02Å; Y328-Y332 HydrophobicContact CE1-CD2 4.16Å; Y328-Y332 HydrophobicContact CE1-CE2 4.01Å; Y328-Y332 PolarHBondContact O-N 2.75Å; Y328-Y332 VanDerWaalsContact O-N 3.14Å; Y328-N333 PolarHBondContact O-N 2.86Å; Y328-I334 CarbonylContact C-O 3.47Å; Y328-I334 PolarHBondContact O-N 2.87Å; Y328-I336 HydrophobicContact CD2-CD1 4.03Å; Y328-I364 HydrophobicContact CD2-CG1 3.83Å; Y328-I364 HydrophobicContact CE2-CD1 4.17Å; Y328-I364 HydrophobicContact CE2-CG1 3.49Å; Y328-I364 VanDerWaalsContact CE2-CG1 3.49Å; Y328-L367 HydrophobicContact CD1-CD1 3.81Å; Y328-L367 HydrophobicContact CD2-CD1 4.26Å; Y328-L367 HydrophobicContact CE1-CD1 4.2Å; Y328-L367 HydrophobicContact CG-CD1 3.88Å
329	L	95.4	Very high	93.7	Very high	66 Å²	66	80.2 Å²	80.2	35%	0.346	39%	0.386	S	S	.	.	H	α-helix	trans	-68.5	-55.3	173.6	-174.7	59.1	0	0	0	111.7	V325 E326 K331 N333 I334 R335	V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.32Å; V325-L329 PolarHBondContact O-N 3.17Å; E326-L329 PolarHBondContact O-N 2.92Å; L329-K331 VanDerWaalsContact C-N 3.33Å; L329-K331 PolarHBondContact O-N 2.84Å; L329-N333 WeakPolarHBondContact O-CA 3.45Å; L329-N333 PolarHBondContact O-N 3.45Å; L329-I334 WeakPolarHBondContact CA-O 3.18Å; L329-I334 PolarHBondContact N-O 3.19Å; L329-R335 HydrophobicContact CD1-CG 3.93Å
330	T	93.2	Very high	94.4	Very high	119 Å²	119	82.8 Å²	82.8	73%	0.73	38%	0.383	S	S	*	.	H	α-helix	trans	-63.8	-35.7	-176.5	-56	0	0	0	0	112.9	E326	E326-T330 WeakPolarHBondContact O-CB 3.47Å; E326-T330 PolarHBondContact O-N 2.94Å; E326-T330 PolarHBondContact O-OG1 2.9Å
331	K	92.3	Very high	94.8	Very high	115 Å²	115	73 Å²	73	50%	0.5	35%	0.347	S	S	.	.	H	α-helix	trans	-95.7	-28.9	-171.5	-171	173.4	173.2	178.4	0	114.8	Y327 L329	Y327-K331 HydrophobicContact CD2-CD 4.2Å; Y327-K331 HydrophobicContact CE2-CD 3.42Å; Y327-K331 VanDerWaalsContact CE2-CD 3.42Å; Y327-K331 WeakPolarHBondContact O-CB 3.49Å; Y327-K331 PolarHBondContact O-N 2.85Å; Y327-K331 PolarHBondContact OH-NZ 3.09Å; L329-K331 VanDerWaalsContact C-N 3.33Å; L329-K331 PolarHBondContact O-N 2.84Å
332	Y	93.1	Very high	95	Very high	64 Å²	64	68.7 Å²	68.7	25%	0.251	32%	0.324	S	S	.	.	H	α-helix	trans	-129.3	-0.4	-174.8	-55	-77.4	0	0	0	113.3	Y295 N296 Y327 Y328 I334	Y295-Y332 AromaticContact CD2-CD1 3.86Å; Y295-Y332 HydrophobicContact CD2-CD1 3.86Å; Y295-Y332 AromaticContact CD2-CD2 3.95Å; Y295-Y332 HydrophobicContact CD2-CD2 3.95Å; Y295-Y332 AromaticContact CD2-CE1 3.66Å; Y295-Y332 HydrophobicContact CD2-CE1 3.66Å; Y295-Y332 AromaticContact CD2-CE2 3.73Å; Y295-Y332 HydrophobicContact CD2-CE2 3.73Å; Y295-Y332 AromaticContact CD2-CG 4Å; Y295-Y332 HydrophobicContact CD2-CG 4Å; Y295-Y332 AromaticContact CD2-CZ 3.56Å; Y295-Y332 HydrophobicContact CE2-CD2 4.41Å; Y295-Y332 HydrophobicContact CE2-CE1 4.36Å; Y295-Y332 AromaticContact CE2-CE2 3.85Å; Y295-Y332 HydrophobicContact CE2-CE2 3.85Å; Y295-Y332 AromaticContact CE2-CZ 3.81Å; Y295-Y332 HydrophobicContact CG-CD1 4.4Å; Y295-Y332 HydrophobicContact CG-CG 4.36Å; N296-Y332 HydrophobicContact CB-CE1 4.48Å; Y327-Y332 HydrophobicContact CE1-CE2 4.11Å; Y328-Y332 AromaticContact CD1-CD2 3.71Å; Y328-Y332 HydrophobicContact CD1-CD2 3.71Å; Y328-Y332 HydrophobicContact CD1-CE2 4.02Å; Y328-Y332 HydrophobicContact CE1-CD2 4.16Å; Y328-Y332 HydrophobicContact CE1-CE2 4.01Å; Y328-Y332 PolarHBondContact O-N 2.75Å; Y328-Y332 VanDerWaalsContact O-N 3.14Å; Y332-I334 VanDerWaalsContact C-N 3.28Å; Y332-I334 PolarHBondContact O-N 3.06Å
333	N	95.4	Very high	95	Very high	133 Å²	133	67 Å²	67	71%	0.711	32%	0.316	S	S	*	.			trans	56.2	37.3	-172.8	-161	20.3	0	0	0	113.7	Y328 L329	Y328-N333 PolarHBondContact O-N 2.86Å; L329-N333 WeakPolarHBondContact O-CA 3.45Å; L329-N333 PolarHBondContact O-N 3.45Å
334	I	95.3	Very high	95	Very high	46 Å²	46	66.6 Å²	66.6	24%	0.236	31%	0.313	C	S	.	.			trans	-110.2	125.9	-178.1	-68.8	172.7	0	0	0	110.3	Y295 Y328 L329 Y332 L367	Y295-I334 VanDerWaalsContact CB-CD1 3.45Å; Y295-I334 HydrophobicContact CD1-CD1 4.36Å; Y295-I334 HydrophobicContact CG-CD1 4.22Å; Y328-I334 CarbonylContact C-O 3.47Å; Y328-I334 PolarHBondContact O-N 2.87Å; L329-I334 WeakPolarHBondContact CA-O 3.18Å; L329-I334 PolarHBondContact N-O 3.19Å; Y332-I334 VanDerWaalsContact C-N 3.28Å; Y332-I334 PolarHBondContact O-N 3.06Å; I334-L367 HydrophobicContact CG2-CD1 3.97Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å; I334-L367 HydrophobicContact CG2-CG 4.49Å
335	R	96.1	Very high	94.9	Very high	202 Å²	202	67.4 Å²	67.4	76%	0.762	32%	0.318	S	S	*	.			trans	-91.5	126	170.3	-62.1	-178.3	-176.3	-149.5	0.1	109.3	L329	L329-R335 HydrophobicContact CD1-CG 3.93Å
336	I	96.5	Very high	94.6	Very high	9 Å²	9	66.2 Å²	66.2	5%	0.046	31%	0.31	C	S	.	.			trans	-78.2	138.3	169.2	-57.9	175	0	0	0	107.4	P311 V325 Y328 D338 I364 E366 L367	P311-I336 HydrophobicContact CB-CD1 3.91Å; P311-I336 HydrophobicContact CB-CG2 4.13Å; P311-I336 HydrophobicContact CG-CD1 4.46Å; P311-I336 HydrophobicContact CG-CG2 4.01Å; V325-I336 HydrophobicContact CG2-CB 4.48Å; V325-I336 HydrophobicContact CG2-CD1 4.15Å; Y328-I336 HydrophobicContact CD2-CD1 4.03Å; I336-D338 WeakPolarHBondContact CG2-O 3.43Å; I336-I364 HydrophobicContact CD1-CD1 3.94Å; I336-I364 HydrophobicContact CD1-CG1 3.78Å; I336-I364 HydrophobicContact CD1-CG2 4.15Å; I336-I364 HydrophobicContact CG1-CG2 4.41Å; I336-I364 HydrophobicContact CG2-CG2 4.12Å; I336-E366 WeakPolarHBondContact CG2-OE2 3.37Å; I336-L367 HydrophobicContact CG1-CD1 4.43Å
337	R	95.4	Very high	94.1	Very high	200 Å²	200	65.9 Å²	65.9	76%	0.755	31%	0.308	S	S	*	.	S	Bend	trans	-96.4	-39	-177.6	-72.6	169.2	-68.1	161.3	6.9	112.9	E366	R337-E366 WeakPolarHBondContact CB-OE1 3.42Å; R337-E366 IonicContact CZ-OE1 2.7Å; R337-E366 PolarHBondContact N-OE1 2.9Å; R337-E366 PolarHBondContact N-OE2 3.17Å; R337-E366 IonicContact NE-OE1 3.3Å; R337-E366 PolarHBondContact NE-OE1 3.04Å; R337-E366 IonicContact NH2-OE1 3.81Å; R337-E366 PolarHBondContact NH2-OE1 3.35Å
338	D	95	Very high	92.5	Very high	39 Å²	39	67 Å²	67	21%	0.209	32%	0.316	C	S	.	.			trans	-100.9	114.9	176.9	-170.4	-16.3	0	0	0	110.8	Y265 I336 N340 Q341 E366	Y265-D338 HydrophobicContact CE2-CB 3.77Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.14Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.26Å; Y265-D338 WeakPolarHBondContact OH-CB 3.31Å; Y265-D338 PolarHBondContact OH-OD2 3.09Å; I336-D338 WeakPolarHBondContact CG2-O 3.43Å; D338-N340 WeakPolarHBondContact OD1-CA 3.44Å; D338-N340 PolarHBondContact OD1-N 3.05Å; D338-Q341 HydrophobicContact CB-CB 4.36Å; D338-Q341 PolarHBondContact O-NE2 2.73Å; D338-Q341 PolarHBondContact OD1-N 3.07Å; D338-E366 PolarHBondContact N-OE2 3.43Å
339	H	95.8	Very high	90.5	Very high	71 Å²	71	75.2 Å²	75.2	33%	0.329	35%	0.347	S	S	.	.	S	Bend	trans	-87.8	-1.8	178.3	-66	146.9	0	0	0	114.5	T310 K312	T310-H339 WeakPolarHBondContact CB-O 3.47Å; K312-H339 HydrophobicContact CD-CB 4.29Å; K312-H339 HydrophobicContact CG-CB 4.28Å
340	N	93.4	Very high	88.1	Confident	125 Å²	125	78.1 Å²	78.1	67%	0.668	36%	0.363	S	S	*	.	S	Bend	trans	-111	-2.4	-178.8	-59.6	-13.9	0	0	0	112.5	D338	D338-N340 WeakPolarHBondContact OD1-CA 3.44Å; D338-N340 PolarHBondContact OD1-N 3.05Å
341	Q	94.4	Very high	85.7	Confident	3 Å²	3	75.1 Å²	75.1	1%	0.014	34%	0.34	C	S	.	.			trans	-62.6	143.9	176.6	72.8	-172	-78.2	0	0	111.7	Y265 P311 D338 I364 P365 E366	Y265-Q341 HydrophobicContact CD2-CB 3.95Å; Y265-Q341 HydrophobicContact CE2-CB 3.83Å; P311-Q341 VanDerWaalsContact CD-O 3.26Å; P311-Q341 WeakPolarHBondContact CD-O 3.14Å; P311-Q341 HydrophobicContact CG-CG 3.72Å; D338-Q341 HydrophobicContact CB-CB 4.36Å; D338-Q341 PolarHBondContact O-NE2 2.73Å; D338-Q341 PolarHBondContact OD1-N 3.07Å; Q341-I364 HydrophobicContact CG-CG2 4.46Å; Q341-P365 VanDerWaalsContact OE1-CD 3.25Å; Q341-E366 PolarHBondContact NE2-OE2 3.11Å; Q341-E366 VanDerWaalsContact OE1-CB 3.3Å
342	P	95	Very high	83.3	Confident	22 Å²	22	71.5 Å²	71.5	14%	0.143	33%	0.332	C	S	.	.			trans	-67.8	169.8	175.2	30.9	-37.1	0	0	0	111.4	M268 V305 D306 F307 P365	M268-P342 HydrophobicContact CE-CG 3.8Å; M268-P342 HydrophobicContact SD-CG 3.75Å; V305-P342 HydrophobicContact CG1-CB 4.01Å; V305-P342 HydrophobicContact CG1-CG 4.21Å; D306-P342 CarbonylContact O-C 3.5Å; D306-P342 WeakPolarHBondContact O-CA 3.47Å; D306-P342 WeakPolarHBondContact O-CB 3.46Å; F307-P342 HydrophobicContact CD1-CB 3.83Å; F307-P342 HydrophobicContact CD1-CG 4.16Å; F307-P342 HydrophobicContact CE1-CB 4.26Å; F307-P342 HydrophobicContact CE1-CG 4.17Å; F307-P342 HydrophobicContact CG-CB 4.21Å; P342-P365 WeakPolarHBondContact O-CD 3.36Å; P342-P365 WeakPolarHBondContact O-CG 3.37Å
343	L	95.9	Very high	80.9	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	147	177.7	-57.4	-173.6	0	0	0	112.5	D306 Q309 P311 F324 V362 I364	D306-L343 PolarHBondContact N-O 2.92Å; D306-L343 PolarHBondContact O-N 3.17Å; Q309-L343 HydrophobicContact CB-CD1 3.55Å; Q309-L343 HydrophobicContact CB-CG 4.06Å; P311-L343 HydrophobicContact CG-CD2 4.43Å; 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 3.65Å; L343-V362 HydrophobicContact CD1-CG1 3.53Å; L343-V362 HydrophobicContact CG-CG1 4.15Å; L343-I364 HydrophobicContact CD2-CD1 3.58Å
344	L	95.3	Very high	78.4	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.6	177.9	-51.6	176.5	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 3.91Å; M268-L344 HydrophobicContact CE-CD2 3.6Å; V286-L344 HydrophobicContact CG1-CD2 4.13Å; I302-L344 HydrophobicContact CD1-CD1 3.82Å; I302-L344 HydrophobicContact CD1-CD2 4.27Å; I302-L344 HydrophobicContact CG1-CD1 4.36Å; I302-L344 HydrophobicContact CG2-CB 4.35Å; I302-L344 HydrophobicContact CG2-CD2 4.37Å; V305-L344 HydrophobicContact CG1-CD2 4.45Å; V305-L344 HydrophobicContact CG2-CD2 4.02Å; L344-V362 WeakPolarHBondContact O-CA 3.37Å; L344-L363 HydrophobicContact CB-CB 4.23Å; L344-L363 PolarHBondContact N-O 3.28Å; L344-L363 PolarHBondContact O-N 2.91Å; L344-P365 HydrophobicContact CD1-CB 4.48Å; L344-P365 HydrophobicContact CD1-CG 4.37Å; L344-P365 HydrophobicContact CD2-CG 4.07Å; L344-P365 HydrophobicContact CG-CG 3.94Å; L344-C368 HydrophobicContact CD1-CB 4.03Å
345	I	93.2	Very high	75.8	Confident	24 Å²	24	80.3 Å²	80.3	12%	0.123	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.3	176.9	-63.2	172	0	0	0	110.1	N303 D304 D306 K347 L360	N303-I345 PolarHBondContact N-O 3.44Å; D304-I345 HydrophobicContact CB-CB 3.91Å; D304-I345 HydrophobicContact CB-CD1 4.22Å; D304-I345 HydrophobicContact CB-CG2 4.44Å; D304-I345 PolarHBondContact N-O 3.03Å; D304-I345 VanDerWaalsContact N-O 3.13Å; D304-I345 PolarHBondContact O-N 2.83Å; D306-I345 HydrophobicContact CB-CD1 3.92Å; D306-I345 HydrophobicContact CB-CG1 4.38Å; I345-K347 HydrophobicContact CG2-CD 4.49Å; I345-K347 HydrophobicContact CG2-CG 3.95Å; I345-L360 HydrophobicContact CG2-CD2 3.7Å
346	S	90.7	Very high	73.2	Confident	8 Å²	8	78.6 Å²	78.6	6%	0.056	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.6	172.1	157.7	0	0	0	0	109.9	R301 V361	R301-S346 WeakPolarHBondContact O-CB 3.23Å; S346-V361 PolarHBondContact N-O 2.94Å; S346-V361 PolarHBondContact O-N 3.48Å
347	K	83.9	Confident	70.8	Confident	93 Å²	93	81 Å²	81	40%	0.404	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	108.2	-178.1	-57.4	-174.7	-176.7	174.7	0	109.5	N303 I345 R349 L360	N303-K347 HydrophobicContact CB-CB 4.4Å; N303-K347 HydrophobicContact CB-CG 4.18Å; N303-K347 PolarHBondContact OD1-N 3.07Å; N303-K347 PolarHBondContact OD1-O 2.84Å; I345-K347 HydrophobicContact CG2-CD 4.49Å; I345-K347 HydrophobicContact CG2-CG 3.95Å; K347-R349 PolarHBondContact O-N 2.99Å; K347-L360 HydrophobicContact CD-CD2 4.19Å; K347-L360 HydrophobicContact CG-CD2 3.82Å
348	N	62.2	Low	68.6	Low	61 Å²	61	74.9 Å²	74.9	33%	0.326	39%	0.388	S	S	.	.			trans	-75.5	84.8	-177.6	-170.3	-16.1	0	0	0	112	D350 K351 A352	N348-D350 VanDerWaalsContact C-N 3.3Å; N348-D350 PolarHBondContact O-N 2.84Å; N348-D350 PolarHBondContact OD1-N 2.85Å; N348-K351 HydrophobicContact CB-CB 4.33Å; N348-K351 PolarHBondContact O-N 3.32Å; N348-K351 PolarHBondContact OD1-N 2.83Å; N348-A352 WeakPolarHBondContact O-CB 3.47Å; N348-A352 PolarHBondContact O-N 3.07Å
349	R	53.2	Low	67.1	Low	180 Å²	180	77.1 Å²	77.1	68%	0.679	40%	0.397	S	S	*	.	H	α-helix	trans	-52.7	-42.6	-179.5	-83.7	-174.5	158.3	-152.7	-7.3	113.8	K347 K351 A352 Q353	K347-R349 PolarHBondContact O-N 2.99Å; R349-K351 PolarHBondContact O-N 3.49Å; R349-A352 PolarHBondContact O-N 3.45Å; R349-A352 VanDerWaalsContact O-N 3.17Å; R349-Q353 PolarHBondContact O-N 3.03Å
350	D	45.3	Very low	66.3	Low	127 Å²	127	78.5 Å²	78.5	68%	0.679	41%	0.406	S	S	*	.	H	α-helix	trans	-70.4	-23.2	-173.9	-56	-12.5	0	0	0	112.4	N348	N348-D350 VanDerWaalsContact C-N 3.3Å; N348-D350 PolarHBondContact O-N 2.84Å; N348-D350 PolarHBondContact OD1-N 2.85Å
351	K	42.6	Very low	66.1	Low	55 Å²	55	74.1 Å²	74.1	24%	0.239	38%	0.384	C	S	.	.	H	α-helix	trans	-85.2	-42.6	166.6	-85.3	-167.9	171	-171.6	0	112.9	N348 R349 Q353 K354 T355 E359	N348-K351 HydrophobicContact CB-CB 4.33Å; N348-K351 PolarHBondContact O-N 3.32Å; N348-K351 PolarHBondContact OD1-N 2.83Å; R349-K351 PolarHBondContact O-N 3.49Å; K351-Q353 PolarHBondContact O-N 3.32Å; K351-Q353 VanDerWaalsContact O-N 3.16Å; K351-K354 WeakPolarHBondContact O-CA 3.23Å; K351-K354 PolarHBondContact O-N 3.23Å; K351-T355 PolarHBondContact O-N 2.91Å; K351-T355 PolarHBondContact O-OG1 3.43Å; K351-E359 WeakPolarHBondContact CD-OE2 3.39Å; K351-E359 WeakPolarHBondContact CE-OE2 3.38Å; K351-E359 IonicContact NZ-OE1 3.09Å; K351-E359 PolarHBondContact NZ-OE1 3.16Å; K351-E359 IonicContact NZ-OE2 2.69Å; K351-E359 PolarHBondContact NZ-OE2 3.25Å
352	A	42.1	Very low	66	Low	40 Å²	40	75.6 Å²	75.6	33%	0.331	39%	0.393	S	S	.	.	H	α-helix	trans	-56.8	-34.9	-173.8	0	0	0	0	0	112.7	N348 R349 K354	N348-A352 WeakPolarHBondContact O-CB 3.47Å; N348-A352 PolarHBondContact O-N 3.07Å; R349-A352 PolarHBondContact O-N 3.45Å; R349-A352 VanDerWaalsContact O-N 3.17Å; A352-K354 PolarHBondContact O-N 3.43Å
353	Q	42.4	Very low	66.1	Low	175 Å²	175	74.7 Å²	74.7	82%	0.818	39%	0.387	S	S	*	.	H	α-helix	trans	-69.6	-8.7	173.4	-74.4	-172.6	-49.1	0	0	115.4	R349 K351	R349-Q353 PolarHBondContact O-N 3.03Å; K351-Q353 PolarHBondContact O-N 3.32Å; K351-Q353 VanDerWaalsContact O-N 3.16Å
354	K	41.6	Very low	66.1	Low	169 Å²	169	74.7 Å²	74.7	74%	0.735	39%	0.387	S	S	*	.	H	α-helix	trans	-119.8	-16	-169.8	-67.8	-175.8	176.3	-179	0	115.1	K351 A352	K351-K354 WeakPolarHBondContact O-CA 3.23Å; K351-K354 PolarHBondContact O-N 3.23Å; A352-K354 PolarHBondContact O-N 3.43Å
355	T	42	Very low	66.2	Low	83 Å²	83	74.7 Å²	74.7	51%	0.509	39%	0.387	S	S	.	.	H	α-helix	trans	-130.4	-1.4	-171	48.8	0	0	0	0	115.7	K351 A357	K351-T355 PolarHBondContact O-N 2.91Å; K351-T355 PolarHBondContact O-OG1 3.43Å; T355-A357 PolarHBondContact O-N 2.98Å; T355-A357 PolarHBondContact OG1-O 3.19Å
356	N	42	Very low	66.3	Low	166 Å²	166	74.2 Å²	74.2	89%	0.888	38%	0.384	S	S	*	.	S	Bend	trans	55.8	-25.6	-168.4	-76.3	0.3	0	0	0	116.3	S358	N356-S358 PolarHBondContact O-N 2.87Å
357	A	44.5	Very low	66.5	Low	59 Å²	59	75 Å²	75	49%	0.488	39%	0.388	S	S	.	.	S	Bend	trans	-70.3	114.9	166.5	0	0	0	0	0	110.5	T355 E359	T355-A357 PolarHBondContact O-N 2.98Å; T355-A357 PolarHBondContact OG1-O 3.19Å; A357-E359 PolarHBondContact O-N 3.45Å
358	S	49.3	Very low	66.9	Low	72 Å²	72	70.6 Å²	70.6	50%	0.503	37%	0.369	S	S	.	.			trans	-72.7	91.1	164.4	172.3	0	0	0	0	109.2	N356 L360	N356-S358 PolarHBondContact O-N 2.87Å; S358-L360 PolarHBondContact O-N 2.94Å
359	E	64.9	Low	68.3	Low	86 Å²	86	68.8 Å²	68.8	40%	0.402	36%	0.357	S	S	.	.			trans	-61.8	86.7	166.7	-80.9	-173.3	-162.9	0	0	110.3	K351 A357 V361	K351-E359 WeakPolarHBondContact CD-OE2 3.39Å; K351-E359 WeakPolarHBondContact CE-OE2 3.38Å; K351-E359 IonicContact NZ-OE1 3.09Å; K351-E359 PolarHBondContact NZ-OE1 3.16Å; K351-E359 IonicContact NZ-OE2 2.69Å; K351-E359 PolarHBondContact NZ-OE2 3.25Å; A357-E359 PolarHBondContact O-N 3.45Å; E359-V361 PolarHBondContact O-N 3.38Å
360	L	78.4	Confident	70	Confident	100 Å²	100	60.2 Å²	60.2	52%	0.524	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	117.1	165.3	-75.1	160.1	0	0	0	107.9	I345 K347 S358	I345-L360 HydrophobicContact CG2-CD2 3.7Å; K347-L360 HydrophobicContact CD-CD2 4.19Å; K347-L360 HydrophobicContact CG-CD2 3.82Å; S358-L360 PolarHBondContact O-N 2.94Å
361	V	89.1	Confident	72	Confident	34 Å²	34	55.1 Å²	55.1	21%	0.206	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.7	171.8	-174.1	0	0	0	0	108.2	Y300 S346 E359 L363	Y300-V361 HydrophobicContact CD1-CB 4.44Å; Y300-V361 HydrophobicContact CD1-CG1 4.18Å; Y300-V361 HydrophobicContact CE1-CB 4.23Å; Y300-V361 HydrophobicContact CE1-CG1 3.72Å; Y300-V361 HydrophobicContact CE1-CG2 4.17Å; S346-V361 PolarHBondContact N-O 2.94Å; S346-V361 PolarHBondContact O-N 3.48Å; E359-V361 PolarHBondContact O-N 3.38Å; V361-L363 HydrophobicContact CG1-CD2 3.69Å; V361-L363 HydrophobicContact CG1-CG 4.12Å
362	V	93.3	Very high	73.9	Confident	34 Å²	34	53.7 Å²	53.7	21%	0.206	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.2	178.3	-172.4	0	0	0	0	108.9	F324 L343 L344	F324-V362 HydrophobicContact CE1-CB 4.01Å; F324-V362 HydrophobicContact CE1-CG1 4.06Å; F324-V362 HydrophobicContact CE2-CG1 4.39Å; F324-V362 HydrophobicContact CZ-CB 3.9Å; F324-V362 HydrophobicContact CZ-CG1 3.69Å; L343-V362 HydrophobicContact CB-CG1 3.65Å; L343-V362 HydrophobicContact CD1-CG1 3.53Å; L343-V362 HydrophobicContact CG-CG1 4.15Å; L344-V362 WeakPolarHBondContact O-CA 3.37Å
363	L	95.8	Very high	75.7	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.8	-172.2	-52.4	169.5	0	0	0	111.7	V291 T293 Y300 L344 V361	V291-L363 HydrophobicContact CG2-CD1 4.44Å; T293-L363 HydrophobicContact CG2-CD2 4.28Å; Y300-L363 HydrophobicContact CD1-CD1 4.32Å; Y300-L363 HydrophobicContact CD2-CD1 3.65Å; Y300-L363 HydrophobicContact CD2-CD2 4.25Å; Y300-L363 HydrophobicContact CE2-CD1 4.37Å; Y300-L363 HydrophobicContact CE2-CD2 4.14Å; Y300-L363 HydrophobicContact CG-CD1 3.61Å; L344-L363 HydrophobicContact CB-CB 4.23Å; L344-L363 PolarHBondContact N-O 3.28Å; L344-L363 PolarHBondContact O-N 2.91Å; V361-L363 HydrophobicContact CG1-CD2 3.69Å; V361-L363 HydrophobicContact CG1-CG 4.12Å
364	I	97	Very high	77.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.265	C	S	.	.			trans	-90.3	122.7	178.8	-50.8	-59.6	0	0	0	109.2	P311 F324 Y328 I336 Q341 L343 E366 L367 C368	P311-I364 HydrophobicContact CB-CD1 4.28Å; P311-I364 HydrophobicContact CG-CD1 4.05Å; F324-I364 HydrophobicContact CB-CD1 3.82Å; F324-I364 HydrophobicContact CG-CD1 4.15Å; Y328-I364 HydrophobicContact CD2-CG1 3.83Å; Y328-I364 HydrophobicContact CE2-CD1 4.17Å; Y328-I364 HydrophobicContact CE2-CG1 3.49Å; Y328-I364 VanDerWaalsContact CE2-CG1 3.49Å; I336-I364 HydrophobicContact CD1-CD1 3.94Å; I336-I364 HydrophobicContact CD1-CG1 3.78Å; I336-I364 HydrophobicContact CD1-CG2 4.15Å; I336-I364 HydrophobicContact CG1-CG2 4.41Å; I336-I364 HydrophobicContact CG2-CG2 4.12Å; Q341-I364 HydrophobicContact CG-CG2 4.46Å; L343-I364 HydrophobicContact CD2-CD1 3.58Å; I364-E366 HydrophobicContact CG2-CB 4.06Å; I364-E366 PolarHBondContact O-N 3.37Å; I364-L367 HydrophobicContact CB-CB 4.31Å; I364-L367 HydrophobicContact CB-CD1 4.14Å; I364-L367 HydrophobicContact CB-CG 4.02Å; I364-L367 HydrophobicContact CG1-CD1 4.27Å; I364-L367 HydrophobicContact CG2-CG 4.14Å; I364-L367 PolarHBondContact O-N 3.44Å; I364-C368 PolarHBondContact O-SG 3.33Å
365	P	95.8	Very high	78.7	Confident	0 Å²	0	43 Å²	43	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-50.6	-39.9	178.4	-28.6	32.1	0	0	0	114.9	I264 Y265 M268 Q341 P342 L344 L367 C368	I264-P365 HydrophobicContact CB-CB 4.17Å; I264-P365 HydrophobicContact CG2-CB 4.09Å; Y265-P365 PolarHBondContact N-O 3.35Å; M268-P365 HydrophobicContact CE-CG 4.09Å; M268-P365 HydrophobicContact SD-CB 3.81Å; M268-P365 HydrophobicContact SD-CG 3.77Å; Q341-P365 VanDerWaalsContact OE1-CD 3.25Å; P342-P365 WeakPolarHBondContact O-CD 3.36Å; P342-P365 WeakPolarHBondContact O-CG 3.37Å; L344-P365 HydrophobicContact CD1-CB 4.48Å; L344-P365 HydrophobicContact CD1-CG 4.37Å; L344-P365 HydrophobicContact CD2-CG 4.07Å; L344-P365 HydrophobicContact CG-CG 3.94Å; P365-L367 PolarHBondContact O-N 3Å; P365-C368 PolarHBondContact O-N 3.24Å
366	E	95.6	Very high	80.2	Confident	14 Å²	14	45.7 Å²	45.7	7%	0.065	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-62.1	-28.2	178.9	-172.4	-174.3	161.4	0	0	113.1	Y265 I336 R337 D338 Q341 I364	Y265-E366 HydrophobicContact CG-CB 4.42Å; I336-E366 WeakPolarHBondContact CG2-OE2 3.37Å; R337-E366 WeakPolarHBondContact CB-OE1 3.42Å; R337-E366 IonicContact CZ-OE1 2.7Å; R337-E366 PolarHBondContact N-OE1 2.9Å; R337-E366 PolarHBondContact N-OE2 3.17Å; R337-E366 IonicContact NE-OE1 3.3Å; R337-E366 PolarHBondContact NE-OE1 3.04Å; R337-E366 IonicContact NH2-OE1 3.81Å; R337-E366 PolarHBondContact NH2-OE1 3.35Å; D338-E366 PolarHBondContact N-OE2 3.43Å; Q341-E366 PolarHBondContact NE2-OE2 3.11Å; Q341-E366 VanDerWaalsContact OE1-CB 3.3Å; I364-E366 HydrophobicContact CG2-CB 4.06Å; I364-E366 PolarHBondContact O-N 3.37Å
367	L	94.9	Very high	82	Confident	25 Å²	25	39 Å²	39	13%	0.131	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-99.7	10.9	-177.7	-51.4	-175.8	0	0	0	112.8	Y295 Y328 I334 I336 I364 P365	Y295-L367 HydrophobicContact CD1-CB 4.14Å; Y295-L367 HydrophobicContact CD1-CD1 4.39Å; Y295-L367 HydrophobicContact CE1-CB 3.82Å; Y295-L367 HydrophobicContact CE1-CD1 4.22Å; Y328-L367 HydrophobicContact CD1-CD1 3.81Å; Y328-L367 HydrophobicContact CD2-CD1 4.26Å; Y328-L367 HydrophobicContact CE1-CD1 4.2Å; Y328-L367 HydrophobicContact CG-CD1 3.88Å; I334-L367 HydrophobicContact CG2-CD1 3.97Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å; I334-L367 HydrophobicContact CG2-CG 4.49Å; I336-L367 HydrophobicContact CG1-CD1 4.43Å; I364-L367 HydrophobicContact CB-CB 4.31Å; I364-L367 HydrophobicContact CB-CD1 4.14Å; I364-L367 HydrophobicContact CB-CG 4.02Å; I364-L367 HydrophobicContact CG1-CD1 4.27Å; I364-L367 HydrophobicContact CG2-CG 4.14Å; I364-L367 PolarHBondContact O-N 3.44Å; P365-L367 PolarHBondContact O-N 3Å
368	C	93.8	Very high	83.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.			trans	-121.6	107.4	-174.2	-69	0	0	0	0	111.6	T263 I264 V291 L292 L344 I364 P365	T263-C368 CarbonylContact C-O 3.53Å; T263-C368 VanDerWaalsContact CA-O 3.28Å; T263-C368 WeakPolarHBondContact CA-O 3.06Å; I264-C368 HydrophobicContact CG1-CB 4.11Å; I264-C368 PolarHBondContact N-O 3.38Å; V291-C368 HydrophobicContact CB-CB 3.99Å; V291-C368 HydrophobicContact CG1-CB 4.07Å; V291-C368 HydrophobicContact CG2-CB 4.13Å; L292-C368 WeakPolarHBondContact O-CA 3.46Å; L344-C368 HydrophobicContact CD1-CB 4.03Å; I364-C368 PolarHBondContact O-SG 3.33Å; P365-C368 PolarHBondContact O-N 3.24Å
369	R	91.2	Very high	84.8	Confident	24 Å²	24	44.4 Å²	44.4	9%	0.091	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	141.9	175.7	-72.9	173.1	67.4	179.1	4.2	112	E232 M259 R260 T263 V291 L292 D294	E232-R369 IonicContact OE1-CZ 2.9Å; E232-R369 IonicContact OE1-NH1 2.79Å; E232-R369 IonicContact OE1-NH2 2.82Å; E232-R369 PolarHBondContact OE1-NH2 2.71Å; E232-R369 IonicContact OE2-CZ 3.69Å; E232-R369 IonicContact OE2-NH1 3.85Å; E232-R369 IonicContact OE2-NH2 3.52Å; E232-R369 PolarHBondContact OE2-NH2 3.18Å; M259-R369 HydrophobicContact CE-CB 4.3Å; R260-R369 PolarHBondContact O-NE 3.06Å; R260-R369 PolarHBondContact O-NH2 3.18Å; T263-R369 HydrophobicContact CG2-CG 4.2Å; V291-R369 CarbonylContact C-O 3.54Å; V291-R369 WeakPolarHBondContact CA-O 3.45Å; V291-R369 WeakPolarHBondContact CB-O 3.42Å; L292-R369 PolarHBondContact N-O 3.49Å; L292-R369 PolarHBondContact O-N 2.9Å; D294-R369 WeakPolarHBondContact OD1-CD 3.26Å; D294-R369 WeakPolarHBondContact OD2-CD 3.32Å; D294-R369 IonicContact OD2-CZ 2.94Å; D294-R369 IonicContact OD2-NE 2.76Å; D294-R369 IonicContact OD2-NH1 3.32Å; D294-R369 PolarHBondContact OD2-NH1 3.02Å
370	V	89.5	Confident	85.6	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.9	-177.8	-175.6	0	0	0	0	111.7	R260 E262 I264 I267 L289	R260-V370 HydrophobicContact CB-CB 4.42Å; R260-V370 WeakPolarHBondContact CB-O 3.48Å; R260-V370 HydrophobicContact CG-CB 4.34Å; R260-V370 WeakPolarHBondContact CG-O 3.32Å; R260-V370 VanDerWaalsContact CZ-CG1 3.46Å; R260-V370 PolarHBondContact N-O 2.96Å; E262-V370 PolarHBondContact O-N 3.44Å; I264-V370 HydrophobicContact CD1-CG2 3.47Å; I264-V370 VanDerWaalsContact CD1-CG2 3.47Å; I264-V370 HydrophobicContact CG1-CG2 4.26Å; I267-V370 HydrophobicContact CD1-CG2 3.61Å; L289-V370 HydrophobicContact CD1-CG1 4.1Å; L289-V370 HydrophobicContact CD1-CG2 4.13Å; L289-V370 HydrophobicContact CD2-CG1 4.44Å
371	T	86.2	Confident	85.8	Confident	19 Å²	19	47 Å²	47	12%	0.117	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	145	174.6	77.1	0	0	0	0	111.8	M259 I290 L292 T299	M259-T371 HydrophobicContact CE-CG2 3.91Å; M259-T371 HydrophobicContact SD-CG2 3.7Å; I290-T371 WeakPolarHBondContact O-CB 3.47Å; I290-T371 WeakPolarHBondContact O-CG2 3.19Å; I290-T371 PolarHBondContact O-N 2.98Å; I290-T371 PolarHBondContact O-OG1 3.19Å; L292-T371 HydrophobicContact CB-CG2 3.93Å; T299-T371 HydrophobicContact CG2-CG2 4.46Å
372	G	82.1	Confident	85.7	Confident	25 Å²	25	52 Å²	52	26%	0.258	27%	0.271	S	S	.	.	S	Bend	trans	68.8	-177.5	175.6	0	0	0	0	0	115.8	V258 R260	V258-G372 PolarHBondContact O-N 3.02Å; R260-G372 PolarHBondContact NE-O 3.19Å; R260-G372 PolarHBondContact NH2-O 3.14Å
373	L	80.9	Confident	85.3	Confident	30 Å²	30	50.7 Å²	50.7	16%	0.157	26%	0.262	C	S	.	.			trans	-104.6	135.2	-168.9	-55.3	172	0	0	0	111.7	M231 V258 M377 R378 M384 M387	M231-L373 HydrophobicContact CE-CD2 4.5Å; M231-L373 HydrophobicContact SD-CD2 3.74Å; V258-L373 HydrophobicContact CG1-CD2 3.91Å; V258-L373 HydrophobicContact CG1-CG 4.37Å; L373-M377 HydrophobicContact CB-CB 4.09Å; L373-M377 HydrophobicContact CD2-CB 4.11Å; L373-M377 HydrophobicContact CD2-CE 3.71Å; L373-M377 HydrophobicContact CD2-SD 4.46Å; L373-R378 HydrophobicContact CB-CG 3.88Å; L373-R378 HydrophobicContact CD1-CG 4.27Å; L373-R378 PolarHBondContact O-NE 3.22Å; L373-R378 PolarHBondContact O-NH2 3.12Å; L373-M384 HydrophobicContact CD1-SD 3.82Å; L373-M387 HydrophobicContact CD1-CE 3.46Å; L373-M387 VanDerWaalsContact CD1-CE 3.46Å; L373-M387 HydrophobicContact CD1-SD 4.09Å; L373-M387 HydrophobicContact CD2-CE 3.79Å; L373-M387 HydrophobicContact CD2-SD 3.88Å; L373-M387 HydrophobicContact CG-CE 4.26Å
374	N	76.6	Confident	84.9	Confident	51 Å²	51	53.9 Å²	53.9	27%	0.273	28%	0.278	S	S	.	.			trans	-74.5	-170.4	168.4	82.7	-4.6	0	0	0	111	E376 M377 R378	N374-E376 PolarHBondContact ND2-OE2 3.08Å; N374-E376 PolarHBondContact OD1-N 2.85Å; N374-M377 HydrophobicContact CB-SD 4.22Å; N374-M377 PolarHBondContact N-SD 2.98Å; N374-M377 WeakPolarHBondContact OD1-CB 3.35Å; N374-M377 WeakPolarHBondContact OD1-CG 3.46Å; N374-M377 PolarHBondContact OD1-N 3.22Å; N374-R378 WeakPolarHBondContact O-CD 3.41Å; N374-R378 WeakPolarHBondContact O-CG 3.41Å; N374-R378 PolarHBondContact O-NE 3.48Å
375	A	69.3	Low	84.3	Confident	80 Å²	80	63.3 Å²	63.3	66%	0.661	31%	0.313	S	S	*	.	H	α-helix	trans	-69.8	-43.8	179.5	0	0	0	0	0	113.1	R378 S379	A375-R378 WeakPolarHBondContact O-CB 3.2Å; A375-R378 PolarHBondContact O-N 3.21Å; A375-R378 VanDerWaalsContact O-N 3.1Å; A375-S379 PolarHBondContact O-N 2.91Å; A375-S379 VanDerWaalsContact O-N 3.1Å
376	E	74.1	Confident	83.8	Confident	138 Å²	138	64.3 Å²	64.3	65%	0.645	32%	0.322	S	S	*	.	H	α-helix	trans	-66.6	-40.6	-177.3	-55.5	155.7	149.5	0	0	111.6	N374 R378 S379 N380	N374-E376 PolarHBondContact ND2-OE2 3.08Å; N374-E376 PolarHBondContact OD1-N 2.85Å; E376-R378 PolarHBondContact O-N 3.48Å; E376-S379 WeakPolarHBondContact CA-OG 3.43Å; E376-S379 PolarHBondContact O-N 3.18Å; E376-S379 VanDerWaalsContact O-N 3.15Å; E376-S379 PolarHBondContact O-OG 3.04Å; E376-N380 PolarHBondContact O-N 3.03Å
377	M	79.9	Confident	83.3	Confident	26 Å²	26	64 Å²	64	13%	0.128	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-26.8	173.8	-66.5	165.9	89.2	0	0	112.2	M231 R260 L373 N374 L383	M231-M377 HydrophobicContact CE-CE 3.32Å; M231-M377 HydrophobicContact SD-CE 3.6Å; M231-M377 VanDerWaalsContact SD-CE 3.6Å; R260-M377 HydrophobicContact CG-CE 4.09Å; L373-M377 HydrophobicContact CB-CB 4.09Å; L373-M377 HydrophobicContact CD2-CB 4.11Å; L373-M377 HydrophobicContact CD2-CE 3.71Å; L373-M377 HydrophobicContact CD2-SD 4.46Å; N374-M377 HydrophobicContact CB-SD 4.22Å; N374-M377 PolarHBondContact N-SD 2.98Å; N374-M377 WeakPolarHBondContact OD1-CB 3.35Å; N374-M377 WeakPolarHBondContact OD1-CG 3.46Å; N374-M377 PolarHBondContact OD1-N 3.22Å; M377-L383 HydrophobicContact CB-CD2 3.76Å; M377-L383 HydrophobicContact CG-CD2 4.15Å; M377-L383 WeakPolarHBondContact O-CD2 3.43Å
378	R	78.2	Confident	82.6	Confident	166 Å²	166	63.7 Å²	63.7	63%	0.626	32%	0.32	S	S	*	.	H	α-helix	trans	-85.4	-25.4	175.7	-64.9	168.5	-158.3	-155.1	4.6	112.9	L373 N374 A375 E376 M384	L373-R378 HydrophobicContact CB-CG 3.88Å; L373-R378 HydrophobicContact CD1-CG 4.27Å; L373-R378 PolarHBondContact O-NE 3.22Å; L373-R378 PolarHBondContact O-NH2 3.12Å; N374-R378 WeakPolarHBondContact O-CD 3.41Å; N374-R378 WeakPolarHBondContact O-CG 3.41Å; N374-R378 PolarHBondContact O-NE 3.48Å; A375-R378 WeakPolarHBondContact O-CB 3.2Å; A375-R378 PolarHBondContact O-N 3.21Å; A375-R378 VanDerWaalsContact O-N 3.1Å; E376-R378 PolarHBondContact O-N 3.48Å; R378-M384 WeakPolarHBondContact O-CG 3.47Å
379	S	74.6	Confident	82	Confident	78 Å²	78	67.6 Å²	67.6	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-85.4	-18.7	172.6	59.9	0	0	0	0	113	A375 E376 F381	A375-S379 PolarHBondContact O-N 2.91Å; A375-S379 VanDerWaalsContact O-N 3.1Å; E376-S379 WeakPolarHBondContact CA-OG 3.43Å; E376-S379 PolarHBondContact O-N 3.18Å; E376-S379 VanDerWaalsContact O-N 3.15Å; E376-S379 PolarHBondContact O-OG 3.04Å; S379-F381 WeakPolarHBondContact O-CD2 3.46Å; S379-F381 PolarHBondContact O-N 3.4Å
380	N	82.2	Confident	81.4	Confident	58 Å²	58	71.3 Å²	71.3	31%	0.31	36%	0.362	S	S	.	.			trans	-67.3	100	170	-174.8	-30.2	0	0	0	111.1	E376 Q382 L383 M384	E376-N380 PolarHBondContact O-N 3.03Å; N380-Q382 VanDerWaalsContact C-N 3.32Å; N380-Q382 PolarHBondContact O-N 2.85Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.48Å; N380-Q382 PolarHBondContact OD1-N 3.37Å; N380-L383 HydrophobicContact CB-CB 4.03Å; N380-L383 HydrophobicContact CB-CD2 4.45Å; N380-L383 PolarHBondContact O-N 3.29Å; N380-L383 PolarHBondContact OD1-N 3.47Å; N380-M384 WeakPolarHBondContact O-CB 3.26Å; N380-M384 WeakPolarHBondContact O-CG 3.16Å; N380-M384 PolarHBondContact O-N 3.41Å
381	F	82.3	Confident	81	Confident	182 Å²	182	73.6 Å²	73.6	80%	0.798	38%	0.376	S	S	*	.	H	α-helix	trans	-63.7	-28.6	180	-72.7	-85.4	0	0	0	114.5	S379 R385	S379-F381 WeakPolarHBondContact O-CD2 3.46Å; S379-F381 PolarHBondContact O-N 3.4Å; F381-R385 WeakPolarHBondContact O-CB 3.23Å; F381-R385 PolarHBondContact O-N 2.91Å
382	Q	86	Confident	81	Confident	141 Å²	141	79.2 Å²	79.2	66%	0.659	40%	0.396	S	S	*	.	H	α-helix	trans	-71.2	-51	178.6	-66.3	172.4	-27.7	0	0	110.1	F229 N380 M384 R385 A386	F229-Q382 HydrophobicContact CE1-CB 4.42Å; F229-Q382 HydrophobicContact CZ-CB 3.93Å; N380-Q382 VanDerWaalsContact C-N 3.32Å; N380-Q382 PolarHBondContact O-N 2.85Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.48Å; N380-Q382 PolarHBondContact OD1-N 3.37Å; Q382-M384 PolarHBondContact O-N 2.85Å; Q382-R385 WeakPolarHBondContact O-CB 3.37Å; Q382-R385 PolarHBondContact O-N 2.95Å; Q382-R385 VanDerWaalsContact O-N 3.14Å; Q382-A386 PolarHBondContact O-N 2.81Å
383	L	85.7	Confident	81.1	Confident	5 Å²	5	78.2 Å²	78.2	3%	0.026	38%	0.384	C	S	.	.	H	α-helix	trans	-56.9	-49.9	173.3	165.9	56.2	0	0	0	111.7	F229 M231 M377 N380 R385 A386 M387	F229-L383 HydrophobicContact CB-CD1 3.83Å; F229-L383 HydrophobicContact CD1-CB 3.84Å; F229-L383 HydrophobicContact CD1-CD1 4.32Å; F229-L383 HydrophobicContact CD1-CG 4.49Å; F229-L383 HydrophobicContact CD2-CB 4.45Å; F229-L383 HydrophobicContact CD2-CD1 4.11Å; F229-L383 HydrophobicContact CE1-CB 3.89Å; F229-L383 HydrophobicContact CG-CB 4.15Å; F229-L383 HydrophobicContact CG-CD1 3.83Å; F229-L383 HydrophobicContact CG-CG 4.47Å; F229-L383 HydrophobicContact CZ-CB 4.24Å; M231-L383 HydrophobicContact CE-CD1 3.39Å; M231-L383 HydrophobicContact CE-CD2 3.63Å; M231-L383 HydrophobicContact CE-CG 4.16Å; M231-L383 HydrophobicContact SD-CD1 4.1Å; M377-L383 HydrophobicContact CB-CD2 3.76Å; M377-L383 HydrophobicContact CG-CD2 4.15Å; M377-L383 WeakPolarHBondContact O-CD2 3.43Å; N380-L383 HydrophobicContact CB-CB 4.03Å; N380-L383 HydrophobicContact CB-CD2 4.45Å; N380-L383 PolarHBondContact O-N 3.29Å; N380-L383 PolarHBondContact OD1-N 3.47Å; L383-R385 VanDerWaalsContact C-N 3.25Å; L383-R385 PolarHBondContact O-N 3.3Å; L383-A386 PolarHBondContact O-N 3.46Å; L383-M387 HydrophobicContact CD1-CE 3.5Å; L383-M387 VanDerWaalsContact CD1-CE 3.5Å; L383-M387 HydrophobicContact CD1-CG 4.08Å; L383-M387 HydrophobicContact CD1-SD 3.91Å; L383-M387 HydrophobicContact CD2-CE 4.42Å; L383-M387 HydrophobicContact CG-CE 3.61Å; L383-M387 PolarHBondContact O-N 2.82Å
384	M	85.9	Confident	81.4	Confident	70 Å²	70	80 Å²	80	35%	0.345	39%	0.394	S	S	.	.	H	α-helix	trans	-63.4	-31.1	178	-72.5	-58.4	-55.4	0	0	112.4	L373 R378 N380 Q382 M387 S388	L373-M384 HydrophobicContact CD1-SD 3.82Å; R378-M384 WeakPolarHBondContact O-CG 3.47Å; N380-M384 WeakPolarHBondContact O-CB 3.26Å; N380-M384 WeakPolarHBondContact O-CG 3.16Å; N380-M384 PolarHBondContact O-N 3.41Å; Q382-M384 PolarHBondContact O-N 2.85Å; M384-M387 HydrophobicContact SD-CE 3.52Å; M384-M387 VanDerWaalsContact SD-CE 3.52Å; M384-S388 WeakPolarHBondContact O-CB 3.32Å; M384-S388 PolarHBondContact O-N 3.32Å; M384-S388 PolarHBondContact O-OG 2.83Å
385	R	85.4	Confident	82.1	Confident	197 Å²	197	78.1 Å²	78.1	74%	0.743	38%	0.384	S	S	*	.	H	α-helix	trans	-68.6	-47.3	171.5	-178.7	-179.9	176.9	-171.7	-2.3	111.2	F381 Q382 L383 M387 S388 S389	F381-R385 WeakPolarHBondContact O-CB 3.23Å; F381-R385 PolarHBondContact O-N 2.91Å; Q382-R385 WeakPolarHBondContact O-CB 3.37Å; Q382-R385 PolarHBondContact O-N 2.95Å; Q382-R385 VanDerWaalsContact O-N 3.14Å; L383-R385 VanDerWaalsContact C-N 3.25Å; L383-R385 PolarHBondContact O-N 3.3Å; R385-M387 PolarHBondContact O-N 2.86Å; R385-S388 WeakPolarHBondContact CA-OG 3.49Å; R385-S388 WeakPolarHBondContact O-CB 3.41Å; R385-S388 PolarHBondContact O-N 3.46Å; R385-S388 PolarHBondContact O-OG 3.48Å; R385-S389 PolarHBondContact O-N 3.19Å
386	A	85.2	Confident	82.9	Confident	22 Å²	22	80.8 Å²	80.8	18%	0.182	38%	0.381	C	S	.	.	H	α-helix	trans	-63	-38.4	179.5	0	0	0	0	0	113.1	I226 F229 Q382 L383 S388 S389 Y390	I226-A386 HydrophobicContact CG2-CB 4.49Å; F229-A386 HydrophobicContact CD2-CB 4.38Å; F229-A386 HydrophobicContact CE2-CB 3.94Å; Q382-A386 PolarHBondContact O-N 2.81Å; L383-A386 PolarHBondContact O-N 3.46Å; A386-S388 VanDerWaalsContact C-N 3.34Å; A386-S389 PolarHBondContact O-OG 2.95Å; A386-Y390 VanDerWaalsContact O-CD2 3.26Å; A386-Y390 WeakPolarHBondContact O-CD2 3.49Å
387	M	84.3	Confident	83.6	Confident	7 Å²	7	78.6 Å²	78.6	3%	0.034	37%	0.371	C	S	.	.	H	α-helix	trans	-73.1	-26.8	170.1	-70.6	-178.1	-61.9	0	0	112.7	I226 M231 V258 L373 L383 M384 R385 Y390 T391	I226-M387 HydrophobicContact CD1-CG 3.85Å; M231-M387 HydrophobicContact SD-SD 4.27Å; V258-M387 HydrophobicContact CG1-SD 4.12Å; V258-M387 HydrophobicContact CG2-SD 4.21Å; L373-M387 HydrophobicContact CD1-CE 3.46Å; L373-M387 VanDerWaalsContact CD1-CE 3.46Å; L373-M387 HydrophobicContact CD1-SD 4.09Å; L373-M387 HydrophobicContact CD2-CE 3.79Å; L373-M387 HydrophobicContact CD2-SD 3.88Å; L373-M387 HydrophobicContact CG-CE 4.26Å; L383-M387 HydrophobicContact CD1-CE 3.5Å; L383-M387 VanDerWaalsContact CD1-CE 3.5Å; L383-M387 HydrophobicContact CD1-CG 4.08Å; L383-M387 HydrophobicContact CD1-SD 3.91Å; L383-M387 HydrophobicContact CD2-CE 4.42Å; L383-M387 HydrophobicContact CG-CE 3.61Å; L383-M387 PolarHBondContact O-N 2.82Å; M384-M387 HydrophobicContact SD-CE 3.52Å; M384-M387 VanDerWaalsContact SD-CE 3.52Å; R385-M387 PolarHBondContact O-N 2.86Å; M387-Y390 PolarHBondContact O-N 2.92Å; M387-T391 WeakPolarHBondContact O-CB 3.38Å; M387-T391 WeakPolarHBondContact O-CG2 3.17Å; M387-T391 PolarHBondContact O-N 2.69Å; M387-T391 PolarHBondContact O-OG1 2.73Å
388	S	81.8	Confident	84.1	Confident	18 Å²	18	78.1 Å²	78.1	13%	0.126	37%	0.367	C	S	.	.	H	α-helix	trans	-71.2	-28.9	-177.8	75.7	0	0	0	0	114.1	M384 R385 A386 Y390 T391 R392	M384-S388 WeakPolarHBondContact O-CB 3.32Å; M384-S388 PolarHBondContact O-N 3.32Å; M384-S388 PolarHBondContact O-OG 2.83Å; R385-S388 WeakPolarHBondContact CA-OG 3.49Å; R385-S388 WeakPolarHBondContact O-CB 3.41Å; R385-S388 PolarHBondContact O-N 3.46Å; R385-S388 PolarHBondContact O-OG 3.48Å; A386-S388 VanDerWaalsContact C-N 3.34Å; S388-Y390 VanDerWaalsContact C-N 3.34Å; S388-Y390 PolarHBondContact O-N 2.78Å; S388-T391 WeakPolarHBondContact CA-OG1 3.4Å; S388-R392 WeakPolarHBondContact O-CB 3.24Å; S388-R392 WeakPolarHBondContact O-CG 3.41Å; S388-R392 PolarHBondContact O-N 2.7Å
389	S	80.1	Confident	84.6	Confident	82 Å²	82	70.3 Å²	70.3	57%	0.573	34%	0.338	S	S	*	.	H	α-helix	trans	-63.8	-39	175.3	50.5	0	0	0	0	112.2	R385 A386	R385-S389 PolarHBondContact O-N 3.19Å; A386-S389 PolarHBondContact O-OG 2.95Å
390	Y	78.6	Confident	85.2	Confident	103 Å²	103	69.7 Å²	69.7	40%	0.404	33%	0.329	S	S	.	.	H	α-helix	trans	-79	-39.8	176.4	-58.4	-68	0	0	0	112.7	I224 I226 A386 M387 S388	I224-Y390 HydrophobicContact CD1-CD1 3.9Å; I224-Y390 HydrophobicContact CD1-CE1 4.45Å; I224-Y390 HydrophobicContact CD1-CG 4.4Å; I224-Y390 HydrophobicContact CG2-CD1 4.07Å; I224-Y390 HydrophobicContact CG2-CD2 4.36Å; I224-Y390 HydrophobicContact CG2-CE1 3.87Å; I224-Y390 HydrophobicContact CG2-CE2 4.16Å; I224-Y390 HydrophobicContact CG2-CG 4.32Å; I226-Y390 HydrophobicContact CD1-CD2 4.08Å; I226-Y390 HydrophobicContact CD1-CE2 4.22Å; I226-Y390 HydrophobicContact CG1-CE2 4.29Å; A386-Y390 VanDerWaalsContact O-CD2 3.26Å; A386-Y390 WeakPolarHBondContact O-CD2 3.49Å; M387-Y390 PolarHBondContact O-N 2.92Å; S388-Y390 VanDerWaalsContact C-N 3.34Å; S388-Y390 PolarHBondContact O-N 2.78Å
391	T	82.6	Confident	85.5	Confident	48 Å²	48	72.3 Å²	72.3	29%	0.294	34%	0.335	S	S	.	.	H	α-helix	trans	-84.4	-29	-174.1	55.6	0	0	0	0	114.7	L233 H256 M387 S388 M393	L233-T391 HydrophobicContact CD1-CG2 3.89Å; H256-T391 HydrophobicContact CB-CG2 4.26Å; M387-T391 WeakPolarHBondContact O-CB 3.38Å; M387-T391 WeakPolarHBondContact O-CG2 3.17Å; M387-T391 PolarHBondContact O-N 2.69Å; M387-T391 PolarHBondContact O-OG1 2.73Å; S388-T391 WeakPolarHBondContact CA-OG1 3.4Å; T391-M393 PolarHBondContact O-N 3.44Å
392	R	84.4	Confident	85.9	Confident	137 Å²	137	63.7 Å²	63.7	52%	0.517	30%	0.297	S	S	.	.			trans	-90.6	60.7	-179	-59.8	-176.7	-176.4	166.4	7.2	112.8	S388 Q768	S388-R392 WeakPolarHBondContact O-CB 3.24Å; S388-R392 WeakPolarHBondContact O-CG 3.41Å; S388-R392 PolarHBondContact O-N 2.7Å; R392-Q768 VanDerWaalsContact NH1-OE1 3.08Å
393	M	85.1	Confident	86	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.015	29%	0.286	C	S	.	.			trans	-60.3	137.9	174.3	-63.6	170.5	-63.8	0	0	111.6	I254 T391 Q397 R401 G769 T770	I254-M393 HydrophobicContact CB-CE 3.76Å; I254-M393 HydrophobicContact CD1-CE 4.04Å; I254-M393 HydrophobicContact CD1-SD 4.19Å; I254-M393 HydrophobicContact CG2-CE 3.71Å; I254-M393 HydrophobicContact CG2-SD 4.36Å; T391-M393 PolarHBondContact O-N 3.44Å; M393-Q397 HydrophobicContact CB-CB 4.26Å; M393-R401 VanDerWaalsContact SD-CD 3.54Å; M393-G769 CarbonylContact O-C 3.55Å; M393-G769 VanDerWaalsContact O-CA 3.29Å; M393-G769 WeakPolarHBondContact O-CA 3.43Å; M393-T770 PolarHBondContact O-N 2.88Å; M393-T770 PolarHBondContact O-OG1 3.45Å
394	N	87.4	Confident	86.2	Confident	68 Å²	68	65.2 Å²	65.2	36%	0.364	31%	0.309	S	S	.	.			trans	-72.1	166.8	169.3	89.2	2.6	0	0	0	110.8	K396 Q397 R398	N394-K396 PolarHBondContact O-N 3.32Å; N394-K396 PolarHBondContact OD1-N 3.28Å; N394-Q397 PolarHBondContact O-N 2.72Å; N394-Q397 VanDerWaalsContact OD1-CB 3.31Å; N394-Q397 WeakPolarHBondContact OD1-CB 3.45Å; N394-Q397 VanDerWaalsContact OD1-CG 3.27Å; N394-Q397 WeakPolarHBondContact OD1-CG 3.3Å; N394-Q397 PolarHBondContact OD1-N 2.94Å; N394-R398 PolarHBondContact O-N 2.93Å
395	P	90.1	Very high	86.4	Confident	11 Å²	11	62 Å²	62	7%	0.071	29%	0.293	C	S	.	.	H	α-helix	trans	-50.7	-55.8	179.5	-34.8	42	0	0	0	114.5	Q397 R398 T399 F735 G738 N740	P395-Q397 PolarHBondContact O-N 2.86Å; P395-R398 WeakPolarHBondContact O-CB 3.36Å; P395-R398 PolarHBondContact O-N 2.85Å; P395-T399 PolarHBondContact O-N 3.34Å; P395-T399 PolarHBondContact O-OG1 3.31Å; P395-T399 VanDerWaalsContact O-OG1 3.08Å; P395-F735 HydrophobicContact CB-CD1 3.78Å; P395-F735 HydrophobicContact CB-CE1 4.1Å; P395-F735 HydrophobicContact CG-CD1 4.48Å; P395-G738 VanDerWaalsContact CB-O 3.31Å; P395-G738 WeakPolarHBondContact CB-O 3.3Å; P395-N740 HydrophobicContact CG-CB 4.31Å; P395-N740 VanDerWaalsContact CG-OD1 3.23Å; P395-N740 WeakPolarHBondContact CG-OD1 3.24Å
396	K	88.1	Confident	86.7	Confident	137 Å²	137	52.8 Å²	52.8	60%	0.596	26%	0.259	S	S	*	.	H	α-helix	trans	-55	-50.6	178.2	-177.8	171.6	-178.3	179.9	0	112.3	N394 R398 T399 D400 G738	N394-K396 PolarHBondContact O-N 3.32Å; N394-K396 PolarHBondContact OD1-N 3.28Å; K396-R398 PolarHBondContact O-N 3.42Å; K396-T399 PolarHBondContact O-N 3.36Å; K396-T399 VanDerWaalsContact O-N 3.12Å; K396-D400 VanDerWaalsContact CG-OD2 3.26Å; K396-D400 WeakPolarHBondContact CG-OD2 3.22Å; K396-D400 WeakPolarHBondContact O-CB 3.17Å; K396-D400 VanDerWaalsContact O-CG 3.23Å; K396-D400 PolarHBondContact O-N 2.79Å; K396-G738 PolarHBondContact N-O 2.85Å
397	Q	88.4	Confident	87.1	Confident	91 Å²	91	57.5 Å²	57.5	43%	0.425	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-26.2	176.8	-73.9	173.9	-20.8	0	0	114.4	M393 N394 P395 R401	M393-Q397 HydrophobicContact CB-CB 4.26Å; N394-Q397 PolarHBondContact O-N 2.72Å; N394-Q397 VanDerWaalsContact OD1-CB 3.31Å; N394-Q397 WeakPolarHBondContact OD1-CB 3.45Å; N394-Q397 VanDerWaalsContact OD1-CG 3.27Å; N394-Q397 WeakPolarHBondContact OD1-CG 3.3Å; N394-Q397 PolarHBondContact OD1-N 2.94Å; P395-Q397 PolarHBondContact O-N 2.86Å; Q397-R401 WeakPolarHBondContact O-CG 3.33Å; Q397-R401 PolarHBondContact O-NH1 2.91Å
398	R	89.8	Confident	87.4	Confident	16 Å²	16	61.3 Å²	61.3	6%	0.06	29%	0.29	C	S	.	.	H	α-helix	trans	-80.4	-47.9	173.1	-175	176.9	-61.6	-80.8	-5.5	110.3	E253 I254 N394 P395 K396 D400 R401 L402 F735 T770	E253-R398 IonicContact OE1-CZ 2.82Å; E253-R398 IonicContact OE1-NE 3.8Å; E253-R398 IonicContact OE1-NH1 2.74Å; E253-R398 PolarHBondContact OE1-NH1 2.8Å; E253-R398 WeakPolarHBondContact OE2-CD 3.23Å; E253-R398 IonicContact OE2-CZ 2.94Å; E253-R398 IonicContact OE2-NE 3.42Å; E253-R398 IonicContact OE2-NH1 3.22Å; E253-R398 PolarHBondContact OE2-NH1 2.84Å; I254-R398 HydrophobicContact CD1-CG 3.92Å; I254-R398 HydrophobicContact CG1-CG 4.41Å; I254-R398 PolarHBondContact O-NH1 3.27Å; N394-R398 PolarHBondContact O-N 2.93Å; P395-R398 WeakPolarHBondContact O-CB 3.36Å; P395-R398 PolarHBondContact O-N 2.85Å; K396-R398 PolarHBondContact O-N 3.42Å; R398-D400 VanDerWaalsContact C-N 3.33Å; R398-D400 PolarHBondContact O-N 2.68Å; R398-R401 PolarHBondContact O-N 3.01Å; R398-L402 HydrophobicContact CG-CD1 4.08Å; R398-L402 WeakPolarHBondContact O-CG 3.43Å; R398-L402 PolarHBondContact O-N 3.18Å; R398-F735 HydrophobicContact CG-CZ 4.28Å; R398-T770 PolarHBondContact NE-OG1 3.01Å; R398-T770 PolarHBondContact NH2-OG1 3.01Å
399	T	88.1	Confident	87.9	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-58.3	-42.8	177	-51.8	0	0	0	0	112.1	P395 K396 R401 L402 R403	P395-T399 PolarHBondContact O-N 3.34Å; P395-T399 PolarHBondContact O-OG1 3.31Å; P395-T399 VanDerWaalsContact O-OG1 3.08Å; K396-T399 PolarHBondContact O-N 3.36Å; K396-T399 VanDerWaalsContact O-N 3.12Å; T399-R401 PolarHBondContact O-N 2.99Å; T399-L402 WeakPolarHBondContact O-CB 3.41Å; T399-L402 PolarHBondContact O-N 3.43Å; T399-R403 WeakPolarHBondContact O-CG 3.3Å; T399-R403 PolarHBondContact O-N 2.68Å
400	D	88.4	Confident	88.4	Confident	65 Å²	65	58.7 Å²	58.7	35%	0.348	27%	0.267	S	S	.	.	H	α-helix	trans	-68.8	-35.8	-179.1	-63.4	-26.6	0	0	0	112.1	K396 R398 R403 A404	K396-D400 VanDerWaalsContact CG-OD2 3.26Å; K396-D400 WeakPolarHBondContact CG-OD2 3.22Å; K396-D400 WeakPolarHBondContact O-CB 3.17Å; K396-D400 VanDerWaalsContact O-CG 3.23Å; K396-D400 PolarHBondContact O-N 2.79Å; R398-D400 VanDerWaalsContact C-N 3.33Å; R398-D400 PolarHBondContact O-N 2.68Å; D400-R403 PolarHBondContact O-N 3.4Å; D400-R403 IonicContact OD1-NH1 3.13Å; D400-R403 PolarHBondContact OD1-NH1 3.43Å; D400-A404 WeakPolarHBondContact O-CB 3.26Å; D400-A404 PolarHBondContact O-N 3.13Å
401	R	88.4	Confident	89.2	Confident	113 Å²	113	58.4 Å²	58.4	43%	0.426	27%	0.273	S	S	.	.	H	α-helix	trans	-70.3	-34.5	170.9	-78.4	178.1	179.9	79.4	-4.5	113	I254 M393 Q397 R398 T399 A404 F405	I254-R401 HydrophobicContact CD1-CB 3.31Å; I254-R401 HydrophobicContact CD1-CG 4.23Å; M393-R401 VanDerWaalsContact SD-CD 3.54Å; Q397-R401 WeakPolarHBondContact O-CG 3.33Å; Q397-R401 PolarHBondContact O-NH1 2.91Å; R398-R401 PolarHBondContact O-N 3.01Å; T399-R401 PolarHBondContact O-N 2.99Å; R401-A404 PolarHBondContact O-N 2.97Å; R401-F405 WeakPolarHBondContact O-CB 3.23Å; R401-F405 PolarHBondContact O-N 2.77Å
402	L	89.8	Confident	89.8	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-40.4	173.2	-72.7	166.3	0	0	0	111.3	N102 F104 T252 I254 R398 T399 F405 N406	N102-L402 HydrophobicContact CB-CD1 3.66Å; F104-L402 HydrophobicContact CZ-CB 4.32Å; T252-L402 HydrophobicContact CG2-CD2 3.97Å; T252-L402 WeakPolarHBondContact O-CD2 3.28Å; I254-L402 HydrophobicContact CD1-CG 4.34Å; I254-L402 HydrophobicContact CG1-CD2 4.15Å; I254-L402 HydrophobicContact CG1-CG 4.3Å; R398-L402 HydrophobicContact CG-CD1 4.08Å; R398-L402 WeakPolarHBondContact O-CG 3.43Å; R398-L402 PolarHBondContact O-N 3.18Å; T399-L402 WeakPolarHBondContact O-CB 3.41Å; T399-L402 PolarHBondContact O-N 3.43Å; L402-F405 PolarHBondContact O-N 2.78Å; L402-N406 PolarHBondContact O-N 3.47Å
403	R	89.4	Confident	90.3	Very high	117 Å²	117	54.9 Å²	54.9	44%	0.442	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-46.4	170.6	-70.5	168.8	177	147	-4.2	111.6	T399 D400 F405 N406 H407	T399-R403 WeakPolarHBondContact O-CG 3.3Å; T399-R403 PolarHBondContact O-N 2.68Å; D400-R403 PolarHBondContact O-N 3.4Å; D400-R403 IonicContact OD1-NH1 3.13Å; D400-R403 PolarHBondContact OD1-NH1 3.43Å; R403-F405 VanDerWaalsContact C-N 3.32Å; R403-F405 PolarHBondContact O-N 2.86Å; R403-N406 PolarHBondContact O-N 2.81Å; R403-H407 WeakPolarHBondContact O-CB 3.35Å; R403-H407 PolarHBondContact O-N 3.44Å
404	A	89.8	Confident	90.7	Very high	60 Å²	60	60.1 Å²	60.1	50%	0.496	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-38	177.5	0	0	0	0	0	112.8	D400 R401 R408	D400-A404 WeakPolarHBondContact O-CB 3.26Å; D400-A404 PolarHBondContact O-N 3.13Å; R401-A404 PolarHBondContact O-N 2.97Å; A404-R408 WeakPolarHBondContact O-CB 3.31Å; A404-R408 PolarHBondContact O-N 3.02Å
405	F	88.9	Confident	91	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.009	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-49.3	172.3	171.8	-101.8	0	0	0	112.3	M205 L208 Y237 T239 T252 R401 L402 R403 H407 R408 L409	M205-F405 HydrophobicContact CE-CE1 4.36Å; M205-F405 HydrophobicContact CE-CZ 3.78Å; M205-F405 HydrophobicContact SD-CE2 4.42Å; M205-F405 HydrophobicContact SD-CZ 3.87Å; L208-F405 HydrophobicContact CD1-CD2 4.45Å; L208-F405 HydrophobicContact CD1-CE2 3.7Å; L208-F405 HydrophobicContact CD1-CZ 4.32Å; Y237-F405 HydrophobicContact CD1-CB 4.22Å; Y237-F405 HydrophobicContact CD1-CD1 4.49Å; Y237-F405 AromaticContact CD1-CD2 3.65Å; Y237-F405 HydrophobicContact CD1-CD2 3.65Å; Y237-F405 HydrophobicContact CD1-CE2 4.07Å; Y237-F405 AromaticContact CD1-CG 3.86Å; Y237-F405 HydrophobicContact CD1-CG 3.86Å; Y237-F405 AromaticContact CD2-CD2 3.57Å; Y237-F405 HydrophobicContact CD2-CD2 3.57Å; Y237-F405 AromaticContact CD2-CE2 3.59Å; Y237-F405 HydrophobicContact CD2-CE2 3.59Å; Y237-F405 HydrophobicContact CE1-CB 3.63Å; Y237-F405 AromaticContact CE1-CD2 3.59Å; Y237-F405 HydrophobicContact CE1-CD2 3.59Å; Y237-F405 HydrophobicContact CE1-CE2 4.43Å; Y237-F405 AromaticContact CE1-CG 3.73Å; Y237-F405 HydrophobicContact CE1-CG 3.73Å; Y237-F405 AromaticContact CE2-CD2 3.52Å; Y237-F405 HydrophobicContact CE2-CD2 3.52Å; Y237-F405 AromaticContact CE2-CE2 3.99Å; Y237-F405 HydrophobicContact CE2-CE2 3.99Å; Y237-F405 HydrophobicContact CE2-CG 4.46Å; Y237-F405 AromaticContact CG-CD2 3.64Å; Y237-F405 HydrophobicContact CG-CD2 3.64Å; Y237-F405 AromaticContact CG-CE2 3.63Å; Y237-F405 HydrophobicContact CG-CE2 3.63Å; Y237-F405 HydrophobicContact CG-CG 4.28Å; Y237-F405 HydrophobicContact CG-CZ 4.29Å; Y237-F405 AromaticContact CZ-CD2 3.53Å; T239-F405 HydrophobicContact CG2-CZ 4.26Å; T252-F405 HydrophobicContact CG2-CD1 3.75Å; T252-F405 HydrophobicContact CG2-CE1 3.61Å; T252-F405 HydrophobicContact CG2-CG 4.44Å; T252-F405 HydrophobicContact CG2-CZ 4.21Å; R401-F405 WeakPolarHBondContact O-CB 3.23Å; R401-F405 PolarHBondContact O-N 2.77Å; L402-F405 PolarHBondContact O-N 2.78Å; R403-F405 VanDerWaalsContact C-N 3.32Å; R403-F405 PolarHBondContact O-N 2.86Å; F405-H407 VanDerWaalsContact C-N 3.31Å; F405-H407 PolarHBondContact O-N 3.49Å; F405-R408 PolarHBondContact O-N 2.96Å; F405-L409 HydrophobicContact CE1-CD2 4.36Å; F405-L409 HydrophobicContact CZ-CD2 4.42Å; F405-L409 WeakPolarHBondContact O-CB 3.48Å; F405-L409 PolarHBondContact O-N 3.43Å
406	N	91.9	Very high	91.2	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-44.7	177.2	-168.8	16.5	0	0	0	110.9	F104 L402 R403 R408 L409 Q410 L426 D427 K428	F104-N406 HydrophobicContact CD1-CB 4.38Å; F104-N406 VanDerWaalsContact CD1-ND2 3.27Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.42Å; F104-N406 HydrophobicContact CE1-CB 3.81Å; F104-N406 VanDerWaalsContact CE1-ND2 3.28Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.47Å; F104-N406 HydrophobicContact CE2-CB 4.35Å; F104-N406 HydrophobicContact CZ-CB 3.8Å; L402-N406 PolarHBondContact O-N 3.47Å; R403-N406 PolarHBondContact O-N 2.81Å; N406-R408 PolarHBondContact O-N 2.86Å; N406-L409 PolarHBondContact O-N 2.74Å; N406-Q410 PolarHBondContact ND2-NE2 2.8Å; N406-Q410 WeakPolarHBondContact O-CG 3.44Å; N406-Q410 PolarHBondContact O-N 2.74Å; N406-Q410 PolarHBondContact OD1-NE2 3Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.46Å; N406-L426 WeakPolarHBondContact OD1-CG 3.43Å; N406-D427 PolarHBondContact ND2-O 2.9Å; N406-K428 WeakPolarHBondContact ND2-CA 3.17Å; N406-K428 PolarHBondContact ND2-O 3.37Å
407	H	92.8	Very high	91.3	Very high	120 Å²	120	57.8 Å²	57.8	56%	0.556	28%	0.281	S	S	*	.	H	α-helix	trans	-62.2	-43.9	177	-167.8	56.6	0	0	0	112.5	R403 F405 L409 Q410 N411	R403-H407 WeakPolarHBondContact O-CB 3.35Å; R403-H407 PolarHBondContact O-N 3.44Å; F405-H407 VanDerWaalsContact C-N 3.31Å; F405-H407 PolarHBondContact O-N 3.49Å; H407-L409 VanDerWaalsContact C-N 3.31Å; H407-L409 PolarHBondContact O-N 2.9Å; H407-Q410 PolarHBondContact O-N 3.06Å; H407-N411 PolarHBondContact CD2-ND2 2.93Å; H407-N411 PolarHBondContact CE1-ND2 3.07Å; H407-N411 PolarHBondContact CE1-OD1 2.7Å; H407-N411 PolarHBondContact NE2-ND2 2.86Å; H407-N411 VanDerWaalsContact O-CB 3.32Å; H407-N411 WeakPolarHBondContact O-CB 3.39Å; H407-N411 PolarHBondContact O-N 2.88Å; H407-N411 PolarHBondContact O-OD1 2.96Å
408	R	91.8	Very high	91.5	Very high	87 Å²	87	54.1 Å²	54.1	33%	0.328	27%	0.265	S	S	.	.	H	α-helix	trans	-58.4	-43.3	172.6	-174.6	-173.9	168.1	163.9	-9.9	111.3	L208 D219 A404 F405 N406 N411 T412	L208-R408 HydrophobicContact CD2-CG 3.79Å; L208-R408 PolarHBondContact O-NH2 2.82Å; D219-R408 IonicContact OD2-CZ 2.63Å; D219-R408 VanDerWaalsContact OD2-CZ 3.32Å; D219-R408 IonicContact OD2-NH1 2.66Å; D219-R408 PolarHBondContact OD2-NH1 2.81Å; D219-R408 IonicContact OD2-NH2 3.09Å; D219-R408 PolarHBondContact OD2-NH2 2.87Å; A404-R408 WeakPolarHBondContact O-CB 3.31Å; A404-R408 PolarHBondContact O-N 3.02Å; F405-R408 PolarHBondContact O-N 2.96Å; N406-R408 PolarHBondContact O-N 2.86Å; R408-N411 PolarHBondContact O-N 2.62Å; R408-T412 WeakPolarHBondContact O-CB 3.47Å; R408-T412 PolarHBondContact O-N 2.75Å; R408-T412 PolarHBondContact O-OG1 2.88Å
409	L	90.9	Very high	91.6	Very high	3 Å²	3	54 Å²	54	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-68.2	-35.5	179.8	-173.7	63.9	0	0	0	112.9	M205 L208 L250 F405 N406 H407 L426	M205-L409 HydrophobicContact CE-CD1 4.38Å; M205-L409 HydrophobicContact CE-CD2 3.62Å; M205-L409 HydrophobicContact SD-CD1 4.12Å; M205-L409 HydrophobicContact SD-CD2 4.33Å; L208-L409 HydrophobicContact CD1-CD1 3.88Å; L208-L409 HydrophobicContact CD2-CB 4.31Å; L208-L409 HydrophobicContact CD2-CD1 4.06Å; L208-L409 HydrophobicContact CG-CD1 3.84Å; L250-L409 HydrophobicContact CD2-CD2 4.47Å; F405-L409 HydrophobicContact CE1-CD2 4.36Å; F405-L409 HydrophobicContact CZ-CD2 4.42Å; F405-L409 WeakPolarHBondContact O-CB 3.48Å; F405-L409 PolarHBondContact O-N 3.43Å; N406-L409 PolarHBondContact O-N 2.74Å; H407-L409 VanDerWaalsContact C-N 3.31Å; H407-L409 PolarHBondContact O-N 2.9Å; L409-L426 HydrophobicContact CD2-CD2 3.56Å; L409-L426 HydrophobicContact CG-CD2 4.17Å
410	Q	92.3	Very high	91.7	Very high	42 Å²	42	62.4 Å²	62.4	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-81.5	-18.9	175.9	-66.8	-167	33	0	0	114.6	N406 H407 V416 L426 D427 K428	N406-Q410 PolarHBondContact ND2-NE2 2.8Å; N406-Q410 WeakPolarHBondContact O-CG 3.44Å; N406-Q410 PolarHBondContact O-N 2.74Å; N406-Q410 PolarHBondContact OD1-NE2 3Å; H407-Q410 PolarHBondContact O-N 3.06Å; Q410-V416 WeakPolarHBondContact O-CG2 3.41Å; Q410-L426 HydrophobicContact CG-CD2 4.34Å; Q410-L426 PolarHBondContact NE2-O 2.92Å; Q410-D427 PolarHBondContact NE2-O 3.02Å; Q410-K428 VanDerWaalsContact OE1-CE 3.25Å
411	N	94.5	Very high	91.9	Very high	97 Å²	97	60.4 Å²	60.4	52%	0.519	29%	0.286	S	S	.	.	H	α-helix	trans	-92.3	-10.9	175.2	-65.4	-0.5	0	0	0	112.9	H407 R408 P413	H407-N411 PolarHBondContact CD2-ND2 2.93Å; H407-N411 PolarHBondContact CE1-ND2 3.07Å; H407-N411 PolarHBondContact CE1-OD1 2.7Å; H407-N411 PolarHBondContact NE2-ND2 2.86Å; H407-N411 VanDerWaalsContact O-CB 3.32Å; H407-N411 WeakPolarHBondContact O-CB 3.39Å; H407-N411 PolarHBondContact O-N 2.88Å; H407-N411 PolarHBondContact O-OD1 2.96Å; R408-N411 PolarHBondContact O-N 2.62Å; N411-P413 WeakPolarHBondContact O-CD 3.43Å
412	T	95.6	Very high	92	Very high	23 Å²	23	55.1 Å²	55.1	14%	0.141	27%	0.266	C	S	.	.			trans	-88.1	108.5	-179	-60	0	0	0	0	110	G207 R408 E414 S415 V416	G207-T412 WeakPolarHBondContact O-CG2 3.36Å; R408-T412 WeakPolarHBondContact O-CB 3.47Å; R408-T412 PolarHBondContact O-N 2.75Å; R408-T412 PolarHBondContact O-OG1 2.88Å; T412-E414 VanDerWaalsContact C-N 3.3Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.46Å; T412-E414 PolarHBondContact O-N 2.81Å; T412-S415 VanDerWaalsContact CG2-OG 3.31Å; T412-S415 WeakPolarHBondContact CG2-OG 3.43Å; T412-S415 WeakPolarHBondContact O-CB 3.38Å; T412-S415 PolarHBondContact O-N 3.29Å; T412-S415 VanDerWaalsContact O-N 3.11Å; T412-V416 PolarHBondContact O-N 3.04Å
413	P	94.9	Very high	92.1	Very high	88 Å²	88	57.4 Å²	57.4	57%	0.571	28%	0.278	S	S	*	.	H	α-helix	trans	-60.4	-36.3	-169.7	-25.2	36.1	0	0	0	114	N411 K417	N411-P413 WeakPolarHBondContact O-CD 3.43Å; P413-K417 WeakPolarHBondContact O-CB 3.49Å; P413-K417 PolarHBondContact O-N 3.24Å
414	E	93.7	Very high	92.2	Very high	114 Å²	114	52.2 Å²	52.2	53%	0.533	26%	0.259	S	S	.	.	H	α-helix	trans	-65.6	-40.6	179.1	-57.5	70.1	-152.8	0	0	111.1	T412 V418	T412-E414 VanDerWaalsContact C-N 3.3Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.46Å; T412-E414 PolarHBondContact O-N 2.81Å; E414-V418 WeakPolarHBondContact O-CG2 3.34Å; E414-V418 PolarHBondContact O-N 3.25Å
415	S	92.9	Very high	92.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.3	-45	178.4	-57.7	0	0	0	0	111.6	S204 G207 L208 T412 V418	S204-S415 WeakPolarHBondContact O-CB 3.22Å; S204-S415 PolarHBondContact O-OG 2.66Å; S204-S415 PolarHBondContact OG-O 2.76Å; G207-S415 WeakPolarHBondContact CA-OG 3.02Å; L208-S415 PolarHBondContact N-OG 2.74Å; T412-S415 VanDerWaalsContact CG2-OG 3.31Å; T412-S415 WeakPolarHBondContact CG2-OG 3.43Å; T412-S415 WeakPolarHBondContact O-CB 3.38Å; T412-S415 PolarHBondContact O-N 3.29Å; T412-S415 VanDerWaalsContact O-N 3.11Å; S415-V418 PolarHBondContact O-N 3.03Å
416	V	93.9	Very high	92.5	Very high	37 Å²	37	55 Å²	55	22%	0.224	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-42.7	178	173.8	0	0	0	0	111.1	Q410 T412 V418 L419 R420	Q410-V416 WeakPolarHBondContact O-CG2 3.41Å; T412-V416 PolarHBondContact O-N 3.04Å; V416-V418 VanDerWaalsContact C-N 3.3Å; V416-V418 PolarHBondContact O-N 2.86Å; V416-L419 PolarHBondContact O-N 2.94Å; V416-L419 VanDerWaalsContact O-N 3.11Å; V416-R420 WeakPolarHBondContact O-CB 3.44Å; V416-R420 PolarHBondContact O-N 2.78Å
417	K	91.9	Very high	92.5	Very high	130 Å²	130	56.1 Å²	56.1	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-54	-48.5	177.5	178	170	179.5	175.1	0	110.6	P413 L419 R420 D421	P413-K417 WeakPolarHBondContact O-CB 3.49Å; P413-K417 PolarHBondContact O-N 3.24Å; K417-L419 VanDerWaalsContact C-N 3.28Å; K417-L419 PolarHBondContact O-N 3.44Å; K417-R420 PolarHBondContact O-N 3.43Å; K417-D421 WeakPolarHBondContact CG-OD2 3.44Å; K417-D421 VanDerWaalsContact O-CB 3.22Å; K417-D421 WeakPolarHBondContact O-CB 3.45Å; K417-D421 PolarHBondContact O-N 2.9Å
418	V	91.5	Very high	92.3	Very high	13 Å²	13	57.1 Å²	57.1	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-60.5	-33.1	179.9	173.9	0	0	0	0	113.5	I200 R203 E414 S415 V416	I200-V418 HydrophobicContact CG2-CG1 4.42Å; R203-V418 HydrophobicContact CB-CG1 3.89Å; R203-V418 HydrophobicContact CG-CG1 3.82Å; R203-V418 HydrophobicContact CG-CG2 3.9Å; E414-V418 WeakPolarHBondContact O-CG2 3.34Å; E414-V418 PolarHBondContact O-N 3.25Å; S415-V418 PolarHBondContact O-N 3.03Å; V416-V418 VanDerWaalsContact C-N 3.3Å; V416-V418 PolarHBondContact O-N 2.86Å
419	L	91.4	Very high	92.1	Very high	14 Å²	14	59 Å²	59	7%	0.073	29%	0.287	C	S	.	.	H	α-helix	trans	-76.2	-45.8	175.9	-62.5	177.5	0	0	0	111.3	I200 V416 K417 D421 W422 N423 M424 L426	I200-L419 HydrophobicContact CG2-CD2 4.25Å; V416-L419 PolarHBondContact O-N 2.94Å; V416-L419 VanDerWaalsContact O-N 3.11Å; K417-L419 VanDerWaalsContact C-N 3.28Å; K417-L419 PolarHBondContact O-N 3.44Å; L419-D421 VanDerWaalsContact C-N 3.33Å; L419-D421 PolarHBondContact O-N 2.76Å; L419-W422 CarbonylContact O-C 3.57Å; L419-W422 PolarHBondContact O-N 3.35Å; L419-W422 VanDerWaalsContact O-N 3.08Å; L419-N423 PolarHBondContact O-N 2.83Å; L419-M424 CarbonylContact C-O 3.58Å; L419-M424 VanDerWaalsContact C-O 3.22Å; L419-M424 PolarHBondContact O-N 2.95Å; L419-L426 HydrophobicContact CD1-CB 4.13Å
420	R	91.9	Very high	92	Very high	180 Å²	180	59.8 Å²	59.8	68%	0.679	29%	0.292	S	S	*	.	H	α-helix	trans	-60.6	-41.1	177	-173.2	-176.1	-63.8	173.9	0.6	112.1	V416 K417 W422 N423	V416-R420 WeakPolarHBondContact O-CB 3.44Å; V416-R420 PolarHBondContact O-N 2.78Å; K417-R420 PolarHBondContact O-N 3.43Å; R420-W422 PolarHBondContact O-N 2.85Å; R420-N423 PolarHBondContact O-N 2.92Å
421	D	90.8	Very high	92	Very high	23 Å²	23	58.8 Å²	58.8	12%	0.123	29%	0.289	C	S	.	.	H	α-helix	trans	-54	-34.9	175.6	-76.3	-14.9	0	0	0	111.1	S144 G145 K417 L419	S144-D421 PolarHBondContact OG-O 3.17Å; G145-D421 VanDerWaalsContact CA-O 3.27Å; G145-D421 WeakPolarHBondContact CA-O 3.48Å; G145-D421 PolarHBondContact N-O 3.39Å; K417-D421 WeakPolarHBondContact CG-OD2 3.44Å; K417-D421 VanDerWaalsContact O-CB 3.22Å; K417-D421 WeakPolarHBondContact O-CB 3.45Å; K417-D421 PolarHBondContact O-N 2.9Å; L419-D421 VanDerWaalsContact C-N 3.33Å; L419-D421 PolarHBondContact O-N 2.76Å
422	W	91.6	Very high	91.9	Very high	1 Å²	1	59 Å²	59	0%	0.004	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	10.2	177.8	-81.6	81	0	0	0	114.4	W112 I114 L147 F154 T156 V196 I200 L419 R420 M424	W112-W422 HydrophobicContact CZ2-CE3 4.33Å; W112-W422 PolarHBondContact NE1-O 2.96Å; I114-W422 HydrophobicContact CG1-CZ3 4.48Å; I114-W422 HydrophobicContact CG2-CZ3 4.34Å; L147-W422 HydrophobicContact CB-CZ2 4.27Å; L147-W422 HydrophobicContact CD1-CZ2 4.22Å; L147-W422 HydrophobicContact CG-CH2 4.47Å; L147-W422 HydrophobicContact CG-CZ2 3.81Å; F154-W422 HydrophobicContact CB-CH2 4.21Å; F154-W422 WeakPolarHBondContact O-CH2 3.49Å; T156-W422 HydrophobicContact CG2-CE3 3.69Å; T156-W422 HydrophobicContact CG2-CZ3 4.11Å; V196-W422 HydrophobicContact CG1-CH2 4.06Å; V196-W422 HydrophobicContact CG1-CZ3 4.11Å; I200-W422 HydrophobicContact CD1-CD2 3.44Å; I200-W422 VanDerWaalsContact CD1-CD2 3.44Å; I200-W422 HydrophobicContact CD1-CE3 3.41Å; I200-W422 VanDerWaalsContact CD1-CE3 3.41Å; I200-W422 HydrophobicContact CD1-CG 3.96Å; I200-W422 HydrophobicContact CD1-CH2 4.24Å; I200-W422 HydrophobicContact CD1-CZ2 4.26Å; I200-W422 HydrophobicContact CD1-CZ3 3.83Å; I200-W422 HydrophobicContact CG1-CD2 3.79Å; I200-W422 HydrophobicContact CG1-CE3 4.22Å; I200-W422 HydrophobicContact CG1-CG 4.12Å; I200-W422 HydrophobicContact CG1-CZ2 4.16Å; I200-W422 HydrophobicContact CG2-CG 4.23Å; L419-W422 CarbonylContact O-C 3.57Å; L419-W422 PolarHBondContact O-N 3.35Å; L419-W422 VanDerWaalsContact O-N 3.08Å; R420-W422 PolarHBondContact O-N 2.85Å; W422-M424 VanDerWaalsContact C-N 3.27Å; W422-M424 HydrophobicContact CB-CG 3.94Å; W422-M424 HydrophobicContact CB-SD 4.3Å; W422-M424 WeakPolarHBondContact O-CG 3.31Å; W422-M424 PolarHBondContact O-N 3.48Å
423	N	90.9	Very high	91.8	Very high	50 Å²	50	58 Å²	58	27%	0.267	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	36.5	-174.3	-60.3	-98.8	0	0	0	113.2	K109 T156 L419 R420	K109-N423 HydrophobicContact CD-CB 4.21Å; K109-N423 VanDerWaalsContact CE-OD1 3.25Å; K109-N423 WeakPolarHBondContact CE-OD1 3.44Å; K109-N423 PolarHBondContact NZ-OD1 2.72Å; T156-N423 PolarHBondContact OG1-ND2 3.45Å; L419-N423 PolarHBondContact O-N 2.83Å; R420-N423 PolarHBondContact O-N 2.92Å
424	M	91.6	Very high	91.8	Very high	7 Å²	7	59.5 Å²	59.5	3%	0.034	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.3	177.7	-44.2	-170.6	89.2	0	0	111	L106 K107 T108 W112 L197 I200 I248 L419 W422	L106-M424 HydrophobicContact CB-CE 4.37Å; L106-M424 HydrophobicContact CD2-CB 4.3Å; L106-M424 HydrophobicContact CD2-CE 3.7Å; L106-M424 HydrophobicContact CD2-SD 3.94Å; K107-M424 CarbonylContact O-C 3.56Å; K107-M424 WeakPolarHBondContact O-CA 3.4Å; T108-M424 HydrophobicContact CG2-CE 3.6Å; T108-M424 HydrophobicContact CG2-CG 4.29Å; W112-M424 HydrophobicContact CH2-CE 3.69Å; W112-M424 HydrophobicContact CH2-SD 4.23Å; W112-M424 HydrophobicContact CZ2-CE 3.65Å; W112-M424 HydrophobicContact CZ2-CG 4.1Å; W112-M424 HydrophobicContact CZ2-SD 3.75Å; W112-M424 HydrophobicContact CZ3-CE 4.31Å; L197-M424 HydrophobicContact CD2-CE 3.82Å; L197-M424 HydrophobicContact CD2-SD 4.37Å; I200-M424 HydrophobicContact CD1-SD 4.46Å; I200-M424 HydrophobicContact CG2-SD 4.49Å; I248-M424 HydrophobicContact CD1-CE 3.78Å; L419-M424 CarbonylContact C-O 3.58Å; L419-M424 VanDerWaalsContact C-O 3.22Å; L419-M424 PolarHBondContact O-N 2.95Å; W422-M424 VanDerWaalsContact C-N 3.27Å; W422-M424 HydrophobicContact CB-CG 3.94Å; W422-M424 HydrophobicContact CB-SD 4.3Å; W422-M424 WeakPolarHBondContact O-CG 3.31Å; W422-M424 PolarHBondContact O-N 3.48Å
425	E	92.8	Very high	91.9	Very high	113 Å²	113	54.1 Å²	54.1	53%	0.528	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.1	172.2	-172.4	-179.1	178.5	0	0	110.2	L106 K107	L106-E425 CarbonylContact C-O 3.51Å; L106-E425 WeakPolarHBondContact CA-O 3.45Å; K107-E425 HydrophobicContact CB-CB 4.34Å; K107-E425 PolarHBondContact N-O 2.7Å; K107-E425 PolarHBondContact O-N 3.32Å
426	L	93.1	Very high	92.1	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.4	178.4	175.2	62.9	0	0	0	109.9	F104 L106 L250 N406 L409 Q410 L419 K428	F104-L426 HydrophobicContact CB-CD1 3.5Å; F104-L426 VanDerWaalsContact CB-CD1 3.5Å; F104-L426 HydrophobicContact CG-CD1 4.33Å; L106-L426 HydrophobicContact CD1-CB 4.47Å; L106-L426 HydrophobicContact CD1-CD1 3.6Å; L250-L426 HydrophobicContact CD2-CD1 4.04Å; L250-L426 HydrophobicContact CD2-CD2 4.49Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.46Å; N406-L426 WeakPolarHBondContact OD1-CG 3.43Å; L409-L426 HydrophobicContact CD2-CD2 3.56Å; L409-L426 HydrophobicContact CG-CD2 4.17Å; Q410-L426 HydrophobicContact CG-CD2 4.34Å; Q410-L426 PolarHBondContact NE2-O 2.92Å; L419-L426 HydrophobicContact CD1-CB 4.13Å; L426-K428 PolarHBondContact O-N 3.45Å
427	D	92.8	Very high	92.3	Very high	29 Å²	29	55 Å²	55	16%	0.155	26%	0.257	C	S	.	.			trans	-63.9	135	180	-102.6	-38.7	0	0	0	112.2	R105 K107 N406 Q410 N429	R105-D427 HydrophobicContact CB-CB 4.16Å; R105-D427 PolarHBondContact O-N 2.89Å; K107-D427 VanDerWaalsContact CE-OD1 3.24Å; K107-D427 WeakPolarHBondContact CE-OD1 3.28Å; K107-D427 WeakPolarHBondContact CE-OD2 3.43Å; K107-D427 IonicContact NZ-OD1 3.69Å; K107-D427 PolarHBondContact NZ-OD1 3Å; K107-D427 IonicContact NZ-OD2 3.98Å; N406-D427 PolarHBondContact ND2-O 2.9Å; Q410-D427 PolarHBondContact NE2-O 3.02Å; D427-N429 VanDerWaalsContact C-N 3.29Å
428	K	88.5	Confident	92.5	Very high	142 Å²	142	49.4 Å²	49.4	62%	0.617	23%	0.233	S	C	*	.	S	Bend	trans	-65.7	-35.5	176.9	-71.4	170.2	-174.5	175.9	0	111.7	N406 Q410 L426	N406-K428 WeakPolarHBondContact ND2-CA 3.17Å; N406-K428 PolarHBondContact ND2-O 3.37Å; Q410-K428 VanDerWaalsContact OE1-CE 3.25Å; L426-K428 PolarHBondContact O-N 3.45Å
429	N	86.5	Confident	92.6	Very high	126 Å²	126	50.9 Å²	50.9	67%	0.674	25%	0.251	S	S	*	.	S	Bend	trans	-87.2	147.7	180	-64.6	-13.7	0	0	0	110.8	D427	D427-N429 VanDerWaalsContact C-N 3.29Å
430	V	89	Confident	92.8	Very high	20 Å²	20	54.7 Å²	54.7	12%	0.121	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-67.2	140.5	169	171.2	0	0	0	0	108.9	T101 F104 E432	T101-V430 WeakPolarHBondContact O-CG1 3.43Å; F104-V430 HydrophobicContact CD1-CG2 4.36Å; F104-V430 HydrophobicContact CE1-CB 4.48Å; F104-V430 HydrophobicContact CE1-CG2 3.6Å; F104-V430 HydrophobicContact CZ-CG2 4Å; V430-E432 PolarHBondContact O-N 2.83Å
431	T	91.9	Very high	93	Very high	21 Å²	21	46.9 Å²	46.9	13%	0.129	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-62.7	123.1	173.8	-51	0	0	0	0	109.8	T101 F103 R105 L249 V433 V750	T101-T431 WeakPolarHBondContact CB-O 3.39Å; T101-T431 WeakPolarHBondContact CG2-O 3.47Å; T101-T431 PolarHBondContact N-O 3.32Å; T101-T431 VanDerWaalsContact N-O 3.15Å; T101-T431 PolarHBondContact OG1-O 3.46Å; F103-T431 PolarHBondContact O-N 3.05Å; F103-T431 PolarHBondContact O-OG1 3.27Å; R105-T431 PolarHBondContact N-OG1 2.84Å; L249-T431 HydrophobicContact CD2-CG2 4.41Å; T431-V433 HydrophobicContact CG2-CG2 4.36Å; T431-V750 HydrophobicContact CG2-CG1 4.06Å
432	E	92.3	Very high	93.3	Very high	100 Å²	100	48 Å²	48	47%	0.467	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	145.7	170.8	-55.5	-160.6	151.2	0	0	110.4	M98 L99 Q100 V430	M98-E432 HydrophobicContact CG-CB 4.09Å; M98-E432 HydrophobicContact SD-CB 3.99Å; L99-E432 CarbonylContact O-C 3.35Å; L99-E432 WeakPolarHBondContact O-CA 3.4Å; Q100-E432 HydrophobicContact CG-CG 3.94Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.31Å; Q100-E432 PolarHBondContact NE2-OE1 3.1Å; V430-E432 PolarHBondContact O-N 2.83Å
433	V	93.9	Very high	93.6	Very high	2 Å²	2	48 Å²	48	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.1	-174.4	-178.2	0	0	0	0	110.1	M98 L99 T101 T431 G435 V747 V750 I751	M98-V433 VanDerWaalsContact SD-C 3.5Å; L99-V433 WeakPolarHBondContact CB-O 3.28Å; L99-V433 PolarHBondContact N-O 2.84Å; L99-V433 PolarHBondContact O-N 3.45Å; T101-V433 HydrophobicContact CG2-CB 4.19Å; T101-V433 HydrophobicContact CG2-CG2 3.52Å; T431-V433 HydrophobicContact CG2-CG2 4.36Å; V433-G435 PolarHBondContact O-N 3.24Å; V433-V747 HydrophobicContact CG1-CG1 3.6Å; V433-V750 HydrophobicContact CB-CB 4.42Å; V433-V750 HydrophobicContact CG1-CB 3.86Å; V433-V750 HydrophobicContact CG1-CG2 3.99Å; V433-V750 HydrophobicContact CG2-CB 3.74Å; V433-V750 HydrophobicContact CG2-CG1 3.78Å; V433-V750 HydrophobicContact CG2-CG2 4.39Å; V433-I751 HydrophobicContact CG2-CG2 4.15Å
434	Q	95.1	Very high	93.9	Very high	121 Å²	121	47.4 Å²	47.4	57%	0.565	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72	111.7	170.8	-170.5	177.5	25.4	0	0	109.3	M98	M98-Q434 HydrophobicContact CE-CB 4.32Å
435	G	96.4	Very high	94.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-176.9	168.6	0	0	0	0	0	111.7	P96 V97 V433 I746	P96-G435 WeakPolarHBondContact CA-O 3.32Å; V97-G435 PolarHBondContact N-O 2.84Å; V97-G435 PolarHBondContact O-N 2.85Å; V433-G435 PolarHBondContact O-N 3.24Å; G435-I746 WeakPolarHBondContact CA-O 3.39Å
436	R	97.3	Very high	94.1	Very high	20 Å²	20	47.1 Å²	47.1	8%	0.075	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.8	175.4	-66.7	172.1	-65.1	102.6	3.1	110.7	G91 D93 V95 T745 I746 D748	G91-R436 VanDerWaalsContact O-CZ 3.29Å; G91-R436 PolarHBondContact O-NE 3.19Å; D93-R436 WeakPolarHBondContact O-CD 3.47Å; D93-R436 PolarHBondContact O-NH1 2.77Å; V95-R436 CarbonylContact O-C 3.58Å; V95-R436 VanDerWaalsContact O-CA 3.28Å; V95-R436 WeakPolarHBondContact O-CA 3.44Å; R436-T745 CarbonylContact O-C 3.59Å; R436-T745 WeakPolarHBondContact O-CA 3.41Å; R436-I746 PolarHBondContact N-O 3.11Å; R436-I746 VanDerWaalsContact N-O 3.07Å; R436-I746 PolarHBondContact O-N 2.99Å; R436-D748 IonicContact CZ-OD2 3.46Å; R436-D748 IonicContact NH2-OD1 3.54Å; R436-D748 IonicContact NH2-OD2 2.7Å; R436-D748 PolarHBondContact NH2-OD2 3.2Å
437	I	97.6	Very high	93.9	Very high	36 Å²	36	52.1 Å²	52.1	19%	0.185	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	117.5	171.1	-57.6	169.6	0	0	0	108.2	G94 V95 V97 L736 P742	G94-I437 WeakPolarHBondContact CA-O 3.44Å; V95-I437 PolarHBondContact N-O 2.68Å; V95-I437 PolarHBondContact O-N 2.99Å; V97-I437 HydrophobicContact CG1-CD1 3.66Å; V97-I437 HydrophobicContact CG1-CG1 4.13Å; V97-I437 HydrophobicContact CG2-CD1 4.34Å; V97-I437 HydrophobicContact CG2-CG1 4.05Å; I437-L736 HydrophobicContact CD1-CD2 4.41Å; I437-P742 HydrophobicContact CD1-CG 3.59Å; I437-P742 HydrophobicContact CG1-CG 4.21Å
438	I	96.1	Very high	93.8	Very high	11 Å²	11	52.6 Å²	52.6	6%	0.056	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-66.6	133.2	170.3	-57.8	167.7	0	0	0	108.6	G744 I746 K792 Y795	I438-G744 PolarHBondContact N-O 2.97Å; I438-I746 HydrophobicContact CD1-CD1 3.45Å; I438-I746 VanDerWaalsContact CD1-CD1 3.45Å; I438-I746 HydrophobicContact CD1-CG1 4.29Å; I438-I746 HydrophobicContact CG1-CD1 4.05Å; I438-K792 HydrophobicContact CG2-CG 4.39Å; I438-Y795 HydrophobicContact CB-CD1 3.94Å; I438-Y795 HydrophobicContact CB-CE1 4.23Å; I438-Y795 HydrophobicContact CD1-CD1 3.95Å; I438-Y795 HydrophobicContact CD1-CG 4.18Å; I438-Y795 HydrophobicContact CG2-CD1 3.95Å; I438-Y795 HydrophobicContact CG2-CE1 4.38Å
439	G	94.1	Very high	94.1	Very high	44 Å²	44	51.6 Å²	51.6	45%	0.454	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-55.3	159.3	175.4	0	0	0	0	0	113.9	Q441	G439-Q441 PolarHBondContact O-NE2 3.42Å
440	Q	95.4	Very high	94.5	Very high	95 Å²	95	46.5 Å²	46.5	44%	0.444	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-57.2	149.7	-179.2	-60.4	-178.6	24.1	0	0	111.6	G453	Q440-G453 VanDerWaalsContact CD-C 3.45Å
441	Q	96.4	Very high	94.8	Very high	15 Å²	15	48.6 Å²	48.6	7%	0.07	26%	0.264	C	S	.	.			trans	-108.4	144.5	-178.8	-56	-62	-63.2	0	0	110.5	G439 A452 I601 Y795 K796	G439-Q441 PolarHBondContact O-NE2 3.42Å; Q441-A452 WeakPolarHBondContact O-CB 3.34Å; Q441-A452 PolarHBondContact O-N 2.99Å; Q441-I601 HydrophobicContact CB-CD1 3.61Å; Q441-Y795 HydrophobicContact CG-CD1 4.15Å; Q441-Y795 HydrophobicContact CG-CE1 4.09Å; Q441-K796 VanDerWaalsContact OE1-CG 3.27Å
442	N	96.5	Very high	94.9	Very high	47 Å²	47	47.7 Å²	47.7	25%	0.251	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.7	179.8	-62.2	-49	0	0	0	111.5	K449 V450 I601 E602	N442-K449 HydrophobicContact CB-CB 4.37Å; N442-K449 HydrophobicContact CB-CD 4.14Å; N442-K449 HydrophobicContact CB-CG 4.38Å; N442-V450 CarbonylContact C-O 3.42Å; N442-V450 WeakPolarHBondContact CA-O 3.34Å; N442-I601 VanDerWaalsContact O-CD1 3.22Å; N442-I601 WeakPolarHBondContact O-CD1 3.45Å; N442-E602 HydrophobicContact CB-CG 4.33Å; N442-E602 WeakPolarHBondContact CB-OE2 3.42Å; N442-E602 PolarHBondContact ND2-OE2 3Å
443	I	97.3	Very high	94.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	119.7	172.5	-50.4	-57.5	0	0	0	108.4	F445 K449 V450 A452 W458 W599 I601 H799	I443-F445 HydrophobicContact CB-CE2 4.16Å; I443-F445 HydrophobicContact CG2-CD2 4.18Å; I443-F445 HydrophobicContact CG2-CE2 3.54Å; I443-F445 HydrophobicContact CG2-CZ 4.01Å; I443-K449 CarbonylContact O-C 3.52Å; I443-K449 WeakPolarHBondContact O-CA 3.32Å; I443-K449 WeakPolarHBondContact O-CB 3.27Å; I443-V450 HydrophobicContact CB-CG2 4.14Å; I443-V450 PolarHBondContact N-O 2.78Å; I443-V450 PolarHBondContact O-N 2.62Å; I443-A452 HydrophobicContact CD1-CB 4.3Å; I443-A452 HydrophobicContact CG1-CB 4.23Å; I443-W458 HydrophobicContact CD1-CD2 3.85Å; I443-W458 HydrophobicContact CD1-CE3 3.83Å; I443-W458 HydrophobicContact CD1-CH2 3.76Å; I443-W458 HydrophobicContact CD1-CZ2 3.79Å; I443-W458 HydrophobicContact CD1-CZ3 3.77Å; I443-W458 HydrophobicContact CG1-CB 4.45Å; I443-W458 HydrophobicContact CG1-CD2 3.67Å; I443-W458 HydrophobicContact CG1-CE3 3.88Å; I443-W458 HydrophobicContact CG1-CG 3.93Å; I443-W458 HydrophobicContact CG1-CZ2 4.47Å; I443-W458 HydrophobicContact CG1-CZ3 4.35Å; I443-W458 HydrophobicContact CG2-CG 4.41Å; I443-W599 HydrophobicContact CG2-CB 3.68Å; I443-W599 HydrophobicContact CG2-CG 3.78Å; I443-I601 HydrophobicContact CD1-CD1 4.16Å; I443-H799 HydrophobicContact CD1-CB 4.33Å
444	V	96.8	Very high	94.7	Very high	38 Å²	38	51.5 Å²	51.5	23%	0.23	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.5	-176.5	-171.5	0	0	0	0	110.1	K449 L468 W599 M600 E602	V444-K449 HydrophobicContact CG2-CB 4.32Å; V444-L468 HydrophobicContact CG1-CD1 4.13Å; V444-W599 CarbonylContact O-C 3.52Å; V444-W599 VanDerWaalsContact O-CA 3.3Å; V444-W599 WeakPolarHBondContact O-CA 3.36Å; V444-W599 WeakPolarHBondContact O-CB 3.21Å; V444-M600 HydrophobicContact CB-CB 4.44Å; V444-M600 PolarHBondContact N-O 3.23Å; V444-M600 PolarHBondContact O-N 3.32Å; V444-E602 HydrophobicContact CG2-CG 4.02Å
445	F	96.3	Very high	94.5	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-179.6	177.2	-75.3	-82.4	0	0	0	109.8	I443 N447 G448 V450 F462 Q465 R466 L468 W599	I443-F445 HydrophobicContact CB-CE2 4.16Å; I443-F445 HydrophobicContact CG2-CD2 4.18Å; I443-F445 HydrophobicContact CG2-CE2 3.54Å; I443-F445 HydrophobicContact CG2-CZ 4.01Å; F445-N447 PolarHBondContact O-N 3.21Å; F445-G448 PolarHBondContact N-O 2.78Å; F445-G448 VanDerWaalsContact O-O 3.14Å; F445-V450 HydrophobicContact CD2-CG2 4.15Å; F445-V450 HydrophobicContact CE2-CG2 3.74Å; F445-F462 AromaticContact CE1-CD1 3.84Å; F445-F462 HydrophobicContact CE1-CD1 3.84Å; F445-F462 AromaticContact CE1-CE1 3.51Å; F445-F462 HydrophobicContact CE1-CE1 3.51Å; F445-F462 HydrophobicContact CE1-CZ 4.01Å; F445-F462 HydrophobicContact CZ-CD1 4.22Å; F445-F462 AromaticContact CZ-CE1 3.8Å; F445-F462 HydrophobicContact CZ-CE1 3.8Å; F445-F462 HydrophobicContact CZ-CE2 4.27Å; F445-F462 AromaticContact CZ-CZ 3.8Å; F445-F462 HydrophobicContact CZ-CZ 3.8Å; F445-Q465 HydrophobicContact CB-CB 4.45Å; F445-Q465 HydrophobicContact CD1-CB 3.99Å; F445-Q465 HydrophobicContact CD2-CB 4.44Å; F445-Q465 HydrophobicContact CD2-CG 4.46Å; F445-Q465 HydrophobicContact CE1-CB 4.31Å; F445-Q465 HydrophobicContact CG-CB 4.05Å; F445-Q465 HydrophobicContact CG-CG 4.45Å; F445-R466 WeakPolarHBondContact CD1-O 3.48Å; F445-L468 WeakPolarHBondContact O-CD1 3.06Å; F445-W599 HydrophobicContact CE1-CB 4.23Å; F445-W599 HydrophobicContact CZ-CB 4.36Å
446	H	93.6	Very high	94.4	Very high	112 Å²	112	50.3 Å²	50.3	52%	0.519	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-44.4	-177.3	-169.7	72.3	0	0	0	112.4	R466 L468	H446-R466 HydrophobicContact CB-CB 4.12Å; H446-R466 PolarHBondContact N-O 3.46Å; H446-L468 PolarHBondContact ND1-O 3.35Å; H446-L468 VanDerWaalsContact ND1-O 3.16Å
447	N	87.4	Confident	94.3	Very high	112 Å²	112	51.4 Å²	51.4	60%	0.599	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	50.3	-176.9	-70.6	0.4	0	0	0	111.9	F445	F445-N447 PolarHBondContact O-N 3.21Å
448	G	91	Very high	94.2	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	119.9	-153.5	173.2	0	0	0	0	0	114.3	F445	F445-G448 PolarHBondContact N-O 2.78Å; F445-G448 VanDerWaalsContact O-O 3.14Å
449	K	94.6	Very high	93.9	Very high	120 Å²	120	52.4 Å²	52.4	52%	0.522	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	150.9	-173.8	66.9	-168	-178	-174.1	0	112.2	N442 I443 V444 E602	N442-K449 HydrophobicContact CB-CB 4.37Å; N442-K449 HydrophobicContact CB-CD 4.14Å; N442-K449 HydrophobicContact CB-CG 4.38Å; I443-K449 CarbonylContact O-C 3.52Å; I443-K449 WeakPolarHBondContact O-CA 3.32Å; I443-K449 WeakPolarHBondContact O-CB 3.27Å; V444-K449 HydrophobicContact CG2-CB 4.32Å; K449-E602 WeakPolarHBondContact CD-OE1 3.49Å; K449-E602 WeakPolarHBondContact CE-OE1 3.12Å; K449-E602 IonicContact NZ-OE1 2.7Å; K449-E602 PolarHBondContact NZ-OE1 3.46Å
450	V	95.4	Very high	93.6	Very high	19 Å²	19	60.1 Å²	60.1	12%	0.115	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146.7	177.9	-59.8	0	0	0	0	110.6	N442 I443 F445 H461	N442-V450 CarbonylContact C-O 3.42Å; N442-V450 WeakPolarHBondContact CA-O 3.34Å; I443-V450 HydrophobicContact CB-CG2 4.14Å; I443-V450 PolarHBondContact N-O 2.78Å; I443-V450 PolarHBondContact O-N 2.62Å; F445-V450 HydrophobicContact CD2-CG2 4.15Å; F445-V450 HydrophobicContact CE2-CG2 3.74Å; V450-H461 HydrophobicContact CG2-CB 4.13Å
451	P	95.4	Very high	93.3	Very high	65 Å²	65	59 Å²	59	42%	0.422	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	146.6	172.6	29.5	-34.9	0	0	0	110.8	G453	P451-G453 PolarHBondContact O-N 2.8Å
452	A	94.2	Very high	92.7	Very high	2 Å²	2	58.5 Å²	58.5	2%	0.017	30%	0.3	C	S	.	.			trans	-67.3	-12.9	176.2	0	0	0	0	0	114.3	Q441 I443 A456 D457 W458	Q441-A452 WeakPolarHBondContact O-CB 3.34Å; Q441-A452 PolarHBondContact O-N 2.99Å; I443-A452 HydrophobicContact CD1-CB 4.3Å; I443-A452 HydrophobicContact CG1-CB 4.23Å; A452-A456 VanDerWaalsContact O-CA 3.26Å; A452-A456 WeakPolarHBondContact O-CA 3.5Å; A452-A456 PolarHBondContact O-N 2.92Å; A452-D457 PolarHBondContact O-N 3.09Å; A452-W458 HydrophobicContact CB-CE3 3.83Å; A452-W458 HydrophobicContact CB-CZ3 3.99Å
453	G	93	Very high	91.9	Very high	30 Å²	30	65.8 Å²	65.8	31%	0.309	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	165.5	-175.1	0	0	0	0	0	113.3	Q440 P451 N455 A456	Q440-G453 VanDerWaalsContact CD-C 3.45Å; P451-G453 PolarHBondContact O-N 2.8Å; G453-N455 PolarHBondContact O-N 2.83Å; G453-A456 PolarHBondContact O-N 2.91Å
454	E	89.3	Confident	91.1	Very high	152 Å²	152	71.9 Å²	71.9	71%	0.71	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.1	178.5	-57.4	176.5	154.2	0	0	112.5	A456	E454-A456 VanDerWaalsContact C-N 3.33Å
455	N	90.2	Very high	90.8	Very high	94 Å²	94	72.3 Å²	72.3	50%	0.503	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.2	179.3	-80.3	-71.8	0	0	0	113.4	G453 D457 Q765	G453-N455 PolarHBondContact O-N 2.83Å; N455-D457 VanDerWaalsContact C-N 3.27Å; N455-D457 PolarHBondContact O-N 3.06Å; N455-Q765 WeakPolarHBondContact O-CG 3.44Å; N455-Q765 PolarHBondContact O-NE2 2.89Å
456	A	95.3	Very high	90.7	Very high	2 Å²	2	78.8 Å²	78.8	2%	0.017	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	45.5	-176.9	0	0	0	0	0	113.8	A452 G453 E454 P743 G806 T807	A452-A456 VanDerWaalsContact O-CA 3.26Å; A452-A456 WeakPolarHBondContact O-CA 3.5Å; A452-A456 PolarHBondContact O-N 2.92Å; G453-A456 PolarHBondContact O-N 2.91Å; E454-A456 VanDerWaalsContact C-N 3.33Å; A456-P743 HydrophobicContact CB-CB 3.66Å; A456-P743 HydrophobicContact CB-CG 3.81Å; A456-G806 CarbonylContact O-C 3.57Å; A456-G806 WeakPolarHBondContact O-CA 3.5Å; A456-T807 HydrophobicContact CB-CG2 3.74Å; A456-T807 VanDerWaalsContact CB-OG1 3.31Å; A456-T807 WeakPolarHBondContact CB-OG1 3.43Å; A456-T807 PolarHBondContact O-N 3.34Å
457	D	94.3	Very high	90.9	Very high	44 Å²	44	73.6 Å²	73.6	24%	0.235	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-136.3	109.1	178.8	-178.5	-27.4	0	0	0	108	A452 N455 Q459 R767	A452-D457 PolarHBondContact O-N 3.09Å; N455-D457 VanDerWaalsContact C-N 3.27Å; N455-D457 PolarHBondContact O-N 3.06Å; D457-Q459 VanDerWaalsContact OD1-CB 3.27Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.21Å; D457-Q459 PolarHBondContact OD1-N 2.87Å; D457-R767 IonicContact OD2-NH2 2.7Å
458	W	94.8	Very high	91.3	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.336	C	S	.	.			trans	-105.3	18.8	-177	52.9	98	0	0	0	112.5	I443 A452 R460 H461 F462 W599 H799 S805 G806 T807	I443-W458 HydrophobicContact CD1-CD2 3.85Å; I443-W458 HydrophobicContact CD1-CE3 3.83Å; I443-W458 HydrophobicContact CD1-CH2 3.76Å; I443-W458 HydrophobicContact CD1-CZ2 3.79Å; I443-W458 HydrophobicContact CD1-CZ3 3.77Å; I443-W458 HydrophobicContact CG1-CB 4.45Å; I443-W458 HydrophobicContact CG1-CD2 3.67Å; I443-W458 HydrophobicContact CG1-CE3 3.88Å; I443-W458 HydrophobicContact CG1-CG 3.93Å; I443-W458 HydrophobicContact CG1-CZ2 4.47Å; I443-W458 HydrophobicContact CG1-CZ3 4.35Å; I443-W458 HydrophobicContact CG2-CG 4.41Å; A452-W458 HydrophobicContact CB-CE3 3.83Å; A452-W458 HydrophobicContact CB-CZ3 3.99Å; W458-R460 PolarHBondContact O-N 3.29Å; W458-H461 PolarHBondContact O-N 3.38Å; W458-F462 AromaticContact CD1-CE2 3.39Å; W458-F462 AromaticContact CD1-CZ 3.65Å; W458-F462 HydrophobicContact CG-CE2 4.4Å; W458-F462 AromaticContact NE1-CE2 3.94Å; W458-F462 AromaticContact NE1-CZ 3.84Å; W458-F462 WeakPolarHBondContact O-CD2 3.46Å; W458-W599 AromaticContact CE2-CE2 3.94Å; W458-W599 AromaticContact CE2-NE1 3.97Å; W458-W599 AromaticContact CZ2-CE2 3.71Å; W458-W599 AromaticContact CZ2-CZ2 3.74Å; W458-W599 HydrophobicContact CZ2-CZ2 3.74Å; W458-W599 AromaticContact CZ2-NE1 3.52Å; W458-W599 AromaticContact NE1-CD2 3.74Å; W458-W599 AromaticContact NE1-CE2 3.53Å; W458-W599 AromaticContact NE1-CZ2 3.76Å; W458-W599 AromaticContact NE1-NE1 3.86Å; W458-H799 HydrophobicContact CH2-CB 3.87Å; W458-H799 AromaticContact CH2-CD2 3.77Å; W458-H799 WeakPolarHBondContact CZ2-O 3.4Å; W458-H799 AromaticContact CZ3-CD2 3.69Å; W458-S805 PolarHBondContact N-O 2.87Å; W458-G806 WeakPolarHBondContact CH2-O 3.11Å; W458-G806 VanDerWaalsContact CZ3-C 3.47Å; W458-T807 HydrophobicContact CZ3-CG2 4.48Å
459	Q	90.8	Very high	91.6	Very high	67 Å²	67	70.1 Å²	70.1	31%	0.313	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.7	-178	-159.5	-161.4	-66.3	0	0	113.2	D457 S805	D457-Q459 VanDerWaalsContact OD1-CB 3.27Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.21Å; D457-Q459 PolarHBondContact OD1-N 2.87Å; Q459-S805 VanDerWaalsContact CB-OG 3.25Å; Q459-S805 WeakPolarHBondContact CB-OG 2.88Å; Q459-S805 WeakPolarHBondContact CG-OG 3.49Å
460	R	88	Confident	91.6	Very high	207 Å²	207	66.4 Å²	66.4	78%	0.781	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-35.5	-179.7	-64	-176.3	-179.3	-171.4	0.1	112.7	W458 F462 R463	W458-R460 PolarHBondContact O-N 3.29Å; R460-F462 VanDerWaalsContact C-N 3.31Å; R460-F462 PolarHBondContact O-N 3.09Å; R460-R463 WeakPolarHBondContact O-CG 3.31Å; R460-R463 PolarHBondContact O-N 2.69Å
461	H	88.9	Confident	91.6	Very high	71 Å²	71	66.1 Å²	66.1	33%	0.329	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-70.7	-21.6	-172.5	-63.4	-71.6	0	0	0	114	V450 W458 R463 D464 Q465	V450-H461 HydrophobicContact CG2-CB 4.13Å; W458-H461 PolarHBondContact O-N 3.38Å; H461-R463 PolarHBondContact O-N 3.32Å; H461-R463 VanDerWaalsContact O-N 3.08Å; H461-D464 PolarHBondContact O-N 2.9Å; H461-Q465 VanDerWaalsContact O-CB 3.31Å; H461-Q465 WeakPolarHBondContact O-CB 3.48Å; H461-Q465 WeakPolarHBondContact O-CG 2.98Å; H461-Q465 PolarHBondContact O-N 2.95Å
462	F	84.3	Confident	91.4	Very high	5 Å²	5	67.7 Å²	67.7	2%	0.022	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-64.9	-7.6	174.9	-65.6	-88.1	0	0	0	114.9	F445 W458 R460 D464 M504 T584 I588 W599	F445-F462 AromaticContact CE1-CD1 3.84Å; F445-F462 HydrophobicContact CE1-CD1 3.84Å; F445-F462 AromaticContact CE1-CE1 3.51Å; F445-F462 HydrophobicContact CE1-CE1 3.51Å; F445-F462 HydrophobicContact CE1-CZ 4.01Å; F445-F462 HydrophobicContact CZ-CD1 4.22Å; F445-F462 AromaticContact CZ-CE1 3.8Å; F445-F462 HydrophobicContact CZ-CE1 3.8Å; F445-F462 HydrophobicContact CZ-CE2 4.27Å; F445-F462 AromaticContact CZ-CZ 3.8Å; F445-F462 HydrophobicContact CZ-CZ 3.8Å; W458-F462 AromaticContact CD1-CE2 3.39Å; W458-F462 AromaticContact CD1-CZ 3.65Å; W458-F462 HydrophobicContact CG-CE2 4.4Å; W458-F462 AromaticContact NE1-CE2 3.94Å; W458-F462 AromaticContact NE1-CZ 3.84Å; W458-F462 WeakPolarHBondContact O-CD2 3.46Å; R460-F462 VanDerWaalsContact C-N 3.31Å; R460-F462 PolarHBondContact O-N 3.09Å; F462-D464 VanDerWaalsContact C-N 3.35Å; F462-M504 HydrophobicContact CB-SD 4.15Å; F462-M504 HydrophobicContact CD1-SD 4.06Å; F462-M504 WeakPolarHBondContact O-CG 3.27Å; F462-T584 HydrophobicContact CB-CG2 4.19Å; F462-I588 HydrophobicContact CD1-CD1 3.7Å; F462-I588 HydrophobicContact CD1-CG1 4.39Å; F462-I588 HydrophobicContact CE1-CD1 3.81Å; F462-I588 HydrophobicContact CE1-CG1 4.47Å; F462-I588 HydrophobicContact CG-CD1 4.11Å; F462-I588 HydrophobicContact CZ-CD1 4.32Å; F462-W599 AromaticContact CE1-CE3 3.6Å; F462-W599 HydrophobicContact CE1-CE3 3.6Å; F462-W599 AromaticContact CE1-CZ3 3.85Å; F462-W599 HydrophobicContact CE1-CZ3 3.85Å; F462-W599 HydrophobicContact CE2-CZ3 4.42Å; F462-W599 HydrophobicContact CZ-CD2 4.15Å; F462-W599 AromaticContact CZ-CE3 3.3Å; F462-W599 HydrophobicContact CZ-CE3 3.3Å; F462-W599 HydrophobicContact CZ-CH2 4.29Å; F462-W599 AromaticContact CZ-CZ3 3.4Å; F462-W599 HydrophobicContact CZ-CZ3 3.4Å; F462-W599 VanDerWaalsContact CZ-CZ3 3.4Å
463	R	79.5	Confident	91.1	Very high	200 Å²	200	71.2 Å²	71.2	76%	0.755	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-70.7	-36.5	173.9	-69	177.4	172.9	-164.5	-4.6	111.7	R460 H461	R460-R463 WeakPolarHBondContact O-CG 3.31Å; R460-R463 PolarHBondContact O-N 2.69Å; H461-R463 PolarHBondContact O-N 3.32Å; H461-R463 VanDerWaalsContact O-N 3.08Å
464	D	80.4	Confident	91.1	Very high	128 Å²	128	69.8 Å²	69.8	68%	0.684	33%	0.333	S	S	*	.	S	Bend	trans	-122.6	11.8	-164.2	-36.5	-62.3	0	0	0	111.2	H461 F462	H461-D464 PolarHBondContact O-N 2.9Å; F462-D464 VanDerWaalsContact C-N 3.35Å
465	Q	90	Very high	91.4	Very high	46 Å²	46	62.5 Å²	62.5	22%	0.215	30%	0.299	C	S	.	.			trans	-134.6	137	-174.7	-69.8	-63.5	-36.7	0	0	112.4	F445 H461	F445-Q465 HydrophobicContact CB-CB 4.45Å; F445-Q465 HydrophobicContact CD1-CB 3.99Å; F445-Q465 HydrophobicContact CD2-CB 4.44Å; F445-Q465 HydrophobicContact CD2-CG 4.46Å; F445-Q465 HydrophobicContact CE1-CB 4.31Å; F445-Q465 HydrophobicContact CG-CB 4.05Å; F445-Q465 HydrophobicContact CG-CG 4.45Å; H461-Q465 VanDerWaalsContact O-CB 3.31Å; H461-Q465 WeakPolarHBondContact O-CB 3.48Å; H461-Q465 WeakPolarHBondContact O-CG 2.98Å; H461-Q465 PolarHBondContact O-N 2.95Å
466	R	95.3	Very high	91.5	Very high	140 Å²	140	60.1 Å²	60.1	53%	0.528	29%	0.286	S	S	.	.			trans	-82.6	138.4	173.4	-65.6	-177.3	-179.3	178	2	111	F445 H446 M504	F445-R466 WeakPolarHBondContact CD1-O 3.48Å; H446-R466 HydrophobicContact CB-CB 4.12Å; H446-R466 PolarHBondContact N-O 3.46Å; R466-M504 WeakPolarHBondContact CA-O 3.21Å
467	M	96.7	Very high	91.5	Very high	2 Å²	2	66 Å²	66	1%	0.01	31%	0.308	C	S	.	.			trans	-56.6	139.4	174.2	-80.2	-175.1	-65	0	0	111.1	T469 T470 M504 L506 I588 N591 P598	M467-T469 VanDerWaalsContact C-N 3.35Å; M467-T469 PolarHBondContact O-N 2.88Å; M467-T470 HydrophobicContact CB-CG2 3.94Å; M467-T470 HydrophobicContact CE-CG2 4.08Å; M467-M504 HydrophobicContact CE-CB 3.98Å; M467-M504 HydrophobicContact CE-CE 4.21Å; M467-M504 HydrophobicContact CG-CB 4.24Å; M467-M504 PolarHBondContact N-O 2.95Å; M467-L506 HydrophobicContact CE-CB 3.72Å; M467-L506 HydrophobicContact CE-CD2 4.37Å; M467-I588 HydrophobicContact SD-CB 4.49Å; M467-I588 HydrophobicContact SD-CG1 4.04Å; M467-N591 HydrophobicContact CE-CB 3.76Å; M467-N591 HydrophobicContact SD-CB 3.83Å; M467-P598 VanDerWaalsContact CA-O 3.31Å; M467-P598 WeakPolarHBondContact CA-O 3.26Å; M467-P598 HydrophobicContact CG-CB 3.94Å; M467-P598 HydrophobicContact SD-CB 3.8Å; M467-P598 HydrophobicContact SD-CG 3.99Å
468	L	96.6	Very high	91.7	Very high	32 Å²	32	64.3 Å²	64.3	17%	0.168	30%	0.298	C	S	.	.	S	Bend	trans	-51.4	-48.3	-171	179.9	71.3	0	0	0	113.6	V444 F445 H446 T597 P598 M600	V444-L468 HydrophobicContact CG1-CD1 4.13Å; F445-L468 WeakPolarHBondContact O-CD1 3.06Å; H446-L468 PolarHBondContact ND1-O 3.35Å; H446-L468 VanDerWaalsContact ND1-O 3.16Å; L468-T597 WeakPolarHBondContact CB-O 3.38Å; L468-T597 HydrophobicContact CD2-CG2 4.03Å; L468-T597 PolarHBondContact N-O 3.35Å; L468-P598 PolarHBondContact N-O 2.91Å; L468-M600 HydrophobicContact CD2-CB 3.41Å; L468-M600 VanDerWaalsContact CD2-CB 3.41Å; L468-M600 HydrophobicContact CD2-CG 4.47Å
469	T	96.2	Very high	91.9	Very high	47 Å²	47	64.3 Å²	64.3	29%	0.288	30%	0.298	S	S	.	.			trans	-129.6	142.2	169.5	68.5	0	0	0	0	111	M467 N591 T597	M467-T469 VanDerWaalsContact C-N 3.35Å; M467-T469 PolarHBondContact O-N 2.88Å; T469-N591 PolarHBondContact O-ND2 3.3Å; T469-T597 PolarHBondContact N-O 2.9Å; T469-T597 WeakPolarHBondContact OG1-CB 3.26Å; T469-T597 PolarHBondContact OG1-N 2.95Å
470	T	95.6	Very high	92.2	Very high	42 Å²	42	61.1 Å²	61.1	26%	0.258	28%	0.283	S	S	.	.			trans	-141.3	155.7	175.2	53.8	0	0	0	0	108.9	M467 S472 G505 L506 Y596	M467-T470 HydrophobicContact CB-CG2 3.94Å; M467-T470 HydrophobicContact CE-CG2 4.08Å; T470-S472 PolarHBondContact O-N 3.44Å; T470-G505 PolarHBondContact OG1-O 2.9Å; T470-L506 HydrophobicContact CG2-CB 4.34Å; T470-Y596 VanDerWaalsContact C-CD1 3.42Å
471	P	95.1	Very high	92.7	Very high	13 Å²	13	51.3 Å²	51.3	8%	0.084	25%	0.246	C	C	.	.			trans	-63.6	133	174.6	23	-31.5	0	0	0	111.3	D473 G474 L506 N591 L594 Y596	P471-D473 PolarHBondContact O-N 2.96Å; P471-G474 WeakPolarHBondContact O-CA 3.31Å; P471-G474 PolarHBondContact O-N 3.36Å; P471-L506 HydrophobicContact CG-CD1 3.95Å; P471-N591 WeakPolarHBondContact CD-OD1 3.44Å; P471-L594 HydrophobicContact CG-CD1 4.21Å; P471-Y596 HydrophobicContact CB-CD2 4.36Å; P471-Y596 HydrophobicContact CB-CE1 4.21Å; P471-Y596 HydrophobicContact CB-CE2 3.72Å; P471-Y596 HydrophobicContact CG-CD2 4.3Å; P471-Y596 HydrophobicContact CG-CE2 4.13Å
472	S	90.6	Very high	93.2	Very high	98 Å²	98	47.9 Å²	47.9	69%	0.685	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.9	173.4	47.9	0	0	0	0	112.9	T470 G474 R507	T470-S472 PolarHBondContact O-N 3.44Å; S472-G474 PolarHBondContact O-N 2.86Å; S472-R507 PolarHBondContact O-NH2 3.06Å
473	D	88.8	Confident	93.8	Very high	75 Å²	75	47.7 Å²	47.7	40%	0.401	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-25.2	176.6	-49.2	-13.8	0	0	0	111.5	P471 R507 K537	P471-D473 PolarHBondContact O-N 2.96Å; D473-R507 PolarHBondContact O-NE 2.93Å; D473-R507 VanDerWaalsContact O-NE 3.17Å; D473-R507 PolarHBondContact O-NH2 3.28Å; D473-K537 IonicContact OD2-NZ 3.91Å; D473-K537 PolarHBondContact OD2-NZ 3.07Å
474	G	93.5	Very high	94.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.			trans	76.5	-162.4	-161	0	0	0	0	0	112.5	P471 S472 D476 R507	P471-G474 WeakPolarHBondContact O-CA 3.31Å; P471-G474 PolarHBondContact O-N 3.36Å; S472-G474 PolarHBondContact O-N 2.86Å; G474-D476 PolarHBondContact O-N 3.12Å; G474-R507 CarbonylContact C-O 3.28Å; G474-R507 WeakPolarHBondContact CA-O 3.25Å
475	L	95.4	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-91.8	87	163	-172.8	55.3	0	0	0	108	W478 R507 V508 R509 K537 L538 L590 L594	L475-W478 HydrophobicContact CD1-CB 3.64Å; L475-W478 HydrophobicContact CD1-CG 3.96Å; L475-W478 HydrophobicContact CD2-CB 4.31Å; L475-W478 HydrophobicContact CD2-CD2 3.77Å; L475-W478 HydrophobicContact CD2-CE3 4.12Å; L475-W478 HydrophobicContact CD2-CG 3.89Å; L475-W478 HydrophobicContact CG-CB 3.87Å; L475-W478 HydrophobicContact CG-CD2 4.01Å; L475-W478 HydrophobicContact CG-CG 3.58Å; L475-R507 PolarHBondContact N-O 2.97Å; L475-V508 HydrophobicContact CB-CG1 4.32Å; L475-V508 HydrophobicContact CB-CG2 4.2Å; L475-V508 HydrophobicContact CD2-CG1 4.34Å; L475-R509 PolarHBondContact O-N 3.46Å; L475-K537 HydrophobicContact CD1-CB 4.14Å; L475-L538 HydrophobicContact CD1-CB 4.21Å; L475-L590 HydrophobicContact CD2-CD1 4.12Å; L475-L594 HydrophobicContact CB-CD1 4.35Å; L475-L594 HydrophobicContact CD1-CD1 4.02Å; L475-L594 HydrophobicContact CD1-CD2 3.91Å
476	D	91.6	Very high	95.5	Very high	43 Å²	43	43.2 Å²	43.2	23%	0.23	21%	0.207	C	C	.	.			trans	-94.3	-42.4	-170.4	57.7	-17.2	0	0	0	113.7	G474 K537	G474-D476 PolarHBondContact O-N 3.12Å; D476-K537 WeakPolarHBondContact OD1-CD 3.35Å; D476-K537 WeakPolarHBondContact OD1-CE 3.46Å; D476-K537 IonicContact OD1-NZ 3.31Å; D476-K537 PolarHBondContact OD1-NZ 2.8Å; D476-K537 IonicContact OD2-NZ 3.42Å; D476-K537 PolarHBondContact OD2-NZ 3.4Å
477	R	95.8	Very high	95.5	Very high	127 Å²	127	37.7 Å²	37.7	48%	0.479	19%	0.19	S	C	.	.	S	Bend	trans	-121.5	101.6	178.3	-170.5	173.7	73.6	-169.3	1.1	109.4	S534 D535 K537	R477-S534 WeakPolarHBondContact CD-O 3.43Å; R477-S534 PolarHBondContact NE-O 2.9Å; R477-D535 VanDerWaalsContact CZ-O 3.24Å; R477-D535 PolarHBondContact NE-O 3.18Å; R477-D535 PolarHBondContact NH2-O 3.21Å; R477-K537 WeakPolarHBondContact O-CB 3.29Å; R477-K537 PolarHBondContact O-N 3.1Å
478	W	98	Very high	95.4	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.027	22%	0.221	C	C	.	.			trans	-154.9	167.6	-177.9	73.1	-65.3	0	0	0	110.2	L475 V480 L494 L497 Y498 V508 R509 P511 Q512 L538 L540	L475-W478 HydrophobicContact CD1-CB 3.64Å; L475-W478 HydrophobicContact CD1-CG 3.96Å; L475-W478 HydrophobicContact CD2-CB 4.31Å; L475-W478 HydrophobicContact CD2-CD2 3.77Å; L475-W478 HydrophobicContact CD2-CE3 4.12Å; L475-W478 HydrophobicContact CD2-CG 3.89Å; L475-W478 HydrophobicContact CG-CB 3.87Å; L475-W478 HydrophobicContact CG-CD2 4.01Å; L475-W478 HydrophobicContact CG-CG 3.58Å; W478-V480 HydrophobicContact CE3-CG2 4.34Å; W478-V480 HydrophobicContact CH2-CG2 4.06Å; W478-V480 HydrophobicContact CZ3-CG2 3.73Å; W478-L494 HydrophobicContact CH2-CD2 3.67Å; W478-L494 HydrophobicContact CZ2-CD2 4.33Å; W478-L497 HydrophobicContact CH2-CD2 3.92Å; W478-Y498 HydrophobicContact CZ2-CE1 4.29Å; W478-V508 HydrophobicContact CZ2-CG1 3.58Å; W478-R509 PolarHBondContact NE1-O 3.13Å; W478-P511 HydrophobicContact CD2-CB 3.83Å; W478-P511 HydrophobicContact CE3-CB 4.17Å; W478-P511 HydrophobicContact CG-CB 4.32Å; W478-P511 HydrophobicContact CH2-CB 4.21Å; W478-P511 HydrophobicContact CH2-CG 4.21Å; W478-P511 HydrophobicContact CZ2-CB 3.84Å; W478-P511 HydrophobicContact CZ2-CG 3.92Å; W478-P511 HydrophobicContact CZ3-CB 4.35Å; W478-P511 WeakPolarHBondContact O-CA 3.45Å; W478-Q512 PolarHBondContact O-N 2.79Å; W478-L538 WeakPolarHBondContact CA-O 3.13Å; W478-L538 WeakPolarHBondContact CB-O 3.27Å; W478-L538 HydrophobicContact CE3-CD2 4.22Å; W478-L540 HydrophobicContact CZ3-CB 4.03Å; W478-L540 HydrophobicContact CZ3-CD1 4.3Å
479	A	98.4	Very high	95.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	160.4	-173.5	0	0	0	0	0	113.4	Q512 F514 C531 P536 L538 I539 L540	A479-Q512 VanDerWaalsContact CA-O 3.3Å; A479-Q512 WeakPolarHBondContact CA-O 3.4Å; A479-Q512 HydrophobicContact CB-CB 4.19Å; A479-F514 HydrophobicContact CB-CD2 4.27Å; A479-F514 HydrophobicContact CB-CE2 4.34Å; A479-C531 WeakPolarHBondContact CB-SG 3.34Å; A479-P536 HydrophobicContact CB-CB 4.45Å; A479-L538 PolarHBondContact N-O 2.64Å; A479-L538 VanDerWaalsContact N-O 3.11Å; A479-I539 HydrophobicContact CB-CG1 4.48Å; A479-I539 CarbonylContact O-C 3.55Å; A479-I539 WeakPolarHBondContact O-CA 3.31Å; A479-L540 PolarHBondContact O-N 2.85Å
480	V	98.6	Very high	95.5	Very high	1 Å²	1	42 Å²	42	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.2	177.2	170	0	0	0	0	109.7	W478 L490 L494 P511 Q512 F514 L540	W478-V480 HydrophobicContact CE3-CG2 4.34Å; W478-V480 HydrophobicContact CH2-CG2 4.06Å; W478-V480 HydrophobicContact CZ3-CG2 3.73Å; V480-L490 HydrophobicContact CG1-CD1 3.52Å; V480-L490 HydrophobicContact CG1-CD2 3.56Å; V480-L490 HydrophobicContact CG1-CG 4.16Å; V480-L494 HydrophobicContact CG2-CD2 4.17Å; V480-P511 HydrophobicContact CB-CB 4.33Å; V480-P511 HydrophobicContact CB-CG 4.3Å; V480-P511 HydrophobicContact CG2-CB 3.69Å; V480-P511 HydrophobicContact CG2-CG 3.6Å; V480-Q512 PolarHBondContact N-O 3.02Å; V480-F514 PolarHBondContact O-N 3.44Å; V480-L540 CarbonylContact C-O 3.4Å; V480-L540 VanDerWaalsContact CA-O 3.29Å; V480-L540 WeakPolarHBondContact CA-O 3.4Å; V480-L540 HydrophobicContact CG2-CB 4.3Å
481	I	98.5	Very high	95.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.6	173.7	-54.7	173.1	0	0	0	108.8	F514 I516 Y524 A527 M528 I539 L540 C541 L542	I481-F514 WeakPolarHBondContact CA-O 3.5Å; I481-F514 HydrophobicContact CG1-CB 4.03Å; I481-I516 HydrophobicContact CG2-CD1 4.08Å; I481-I516 HydrophobicContact CG2-CG1 4.5Å; I481-I516 HydrophobicContact CG2-CG2 4.27Å; I481-Y524 HydrophobicContact CB-CD1 4.49Å; I481-Y524 HydrophobicContact CG2-CD1 3.75Å; I481-Y524 HydrophobicContact CG2-CE1 4.19Å; I481-A527 HydrophobicContact CD1-CB 4.08Å; I481-A527 HydrophobicContact CG1-CB 4.42Å; I481-A527 HydrophobicContact CG2-CB 3.93Å; I481-M528 HydrophobicContact CD1-CB 4.23Å; I481-M528 HydrophobicContact CD1-CG 3.36Å; I481-I539 HydrophobicContact CD1-CG2 3.77Å; I481-I539 HydrophobicContact CG1-CG2 4.03Å; I481-L540 PolarHBondContact N-O 3.34Å; I481-C541 WeakPolarHBondContact O-CA 3.41Å; I481-L542 PolarHBondContact O-N 3.32Å
482	A	98	Very high	95.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	146.5	-177.7	0	0	0	0	0	112.6	L490 F514 I515 I516 L542	A482-L490 HydrophobicContact CB-CD2 3.87Å; A482-F514 PolarHBondContact N-O 3.12Å; A482-I515 WeakPolarHBondContact O-CA 3.3Å; A482-I516 PolarHBondContact O-N 3.01Å; A482-L542 HydrophobicContact CB-CB 4.03Å; A482-L542 HydrophobicContact CB-CD2 4.34Å
483	P	96.8	Very high	95.9	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	140.7	172.1	-21.4	34.4	0	0	0	112.6	R485 N486 I516 D519 Y524 L542	P483-R485 HydrophobicContact CB-CG 4.25Å; P483-R485 PolarHBondContact O-N 3.34Å; P483-R485 VanDerWaalsContact O-N 3.14Å; P483-N486 WeakPolarHBondContact O-CA 3.39Å; P483-N486 PolarHBondContact O-N 3.45Å; P483-I516 CarbonylContact C-O 3.52Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.34Å; P483-I516 HydrophobicContact CG-CG1 4.46Å; P483-D519 HydrophobicContact CG-CB 4.1Å; P483-Y524 WeakPolarHBondContact CD-OH 3.4Å; P483-Y524 VanDerWaalsContact CG-OH 3.3Å; P483-Y524 WeakPolarHBondContact CG-OH 3.36Å; P483-L542 WeakPolarHBondContact CD-O 3.47Å
484	Q	95.8	Very high	96.3	Very high	115 Å²	115	41.4 Å²	41.4	54%	0.537	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-52.3	-38.2	-178.6	-171.9	-179.8	-0.4	0	0	113.7	N486 S487 I515 I516	Q484-N486 PolarHBondContact O-N 3.3Å; Q484-S487 PolarHBondContact O-N 3.36Å; Q484-S487 PolarHBondContact O-OG 2.67Å; Q484-I515 VanDerWaalsContact CA-CG2 3.48Å; Q484-I515 HydrophobicContact CB-CG2 3.61Å; Q484-I515 HydrophobicContact CG-CG2 4.02Å; Q484-I516 PolarHBondContact N-O 3.09Å
485	R	95.6	Very high	96.5	Very high	156 Å²	156	45.2 Å²	45.2	59%	0.589	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-64.8	-6.1	175.9	74.3	-176.6	-173.9	-153.2	-5.2	114.6	P483 D519	P483-R485 HydrophobicContact CB-CG 4.25Å; P483-R485 PolarHBondContact O-N 3.34Å; P483-R485 VanDerWaalsContact O-N 3.14Å; R485-D519 IonicContact CZ-OD2 3.71Å; R485-D519 IonicContact NH1-OD2 2.8Å; R485-D519 IonicContact NH2-OD2 3.48Å; R485-D519 PolarHBondContact NH2-OD2 3.06Å
486	N	95.3	Very high	96.6	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.048	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-124	13.2	-175.3	-67.1	125.3	0	0	0	113.9	P483 Q484 H488 E489 L490 L542 L571	P483-N486 WeakPolarHBondContact O-CA 3.39Å; P483-N486 PolarHBondContact O-N 3.45Å; Q484-N486 PolarHBondContact O-N 3.3Å; N486-H488 VanDerWaalsContact C-N 3.26Å; N486-H488 PolarHBondContact O-N 2.65Å; N486-E489 VanDerWaalsContact CA-OE2 3.3Å; N486-E489 WeakPolarHBondContact CA-OE2 3.39Å; N486-E489 PolarHBondContact ND2-OE1 2.9Å; N486-E489 PolarHBondContact ND2-OE2 3.38Å; N486-E489 PolarHBondContact O-N 3.12Å; N486-L490 PolarHBondContact O-N 3.16Å; N486-L542 HydrophobicContact CB-CD2 4.34Å; N486-L571 HydrophobicContact CB-CD1 4.3Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.24Å
487	S	94.4	Very high	96.8	Very high	24 Å²	24	43.9 Å²	43.9	17%	0.168	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-26.6	179.3	-56.6	0	0	0	0	113.8	Q484 R491	Q484-S487 PolarHBondContact O-N 3.36Å; Q484-S487 PolarHBondContact O-OG 2.67Å; S487-R491 WeakPolarHBondContact O-CG 3.03Å; S487-R491 PolarHBondContact O-N 3.29Å; S487-R491 VanDerWaalsContact O-N 3.14Å
488	H	95.6	Very high	96.9	Very high	146 Å²	146	40.3 Å²	40.3	68%	0.676	18%	0.184	S	C	*	.	H	α-helix	trans	-67.7	-52.8	174	178.7	79.8	0	0	0	111.1	N486 L490 R491 T492	N486-H488 VanDerWaalsContact C-N 3.26Å; N486-H488 PolarHBondContact O-N 2.65Å; H488-L490 PolarHBondContact O-N 3.01Å; H488-R491 PolarHBondContact O-N 2.91Å; H488-R491 VanDerWaalsContact O-N 3.14Å; H488-T492 PolarHBondContact O-N 2.93Å; H488-T492 PolarHBondContact O-OG1 3.18Å; H488-T492 VanDerWaalsContact O-OG1 3.12Å
489	E	96.4	Very high	96.7	Very high	25 Å²	25	48.5 Å²	48.5	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-27	177.2	-62.9	102.1	141.1	0	0	113.3	N486 L493 L571 T574 K575	N486-E489 VanDerWaalsContact CA-OE2 3.3Å; N486-E489 WeakPolarHBondContact CA-OE2 3.39Å; N486-E489 PolarHBondContact ND2-OE1 2.9Å; N486-E489 PolarHBondContact ND2-OE2 3.38Å; N486-E489 PolarHBondContact O-N 3.12Å; E489-L493 WeakPolarHBondContact O-CB 3.37Å; E489-L493 PolarHBondContact O-N 3.32Å; E489-L493 VanDerWaalsContact O-N 3.15Å; E489-L571 HydrophobicContact CB-CD1 3.75Å; E489-L571 HydrophobicContact CG-CD1 3.79Å; E489-T574 WeakPolarHBondContact CB-OG1 3.34Å; E489-K575 HydrophobicContact CG-CG 4.47Å; E489-K575 WeakPolarHBondContact OE1-CE 3.36Å; E489-K575 IonicContact OE1-NZ 3.59Å; E489-K575 PolarHBondContact OE1-NZ 2.99Å
490	L	96.8	Very high	96.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-49.8	171.3	174.7	61.2	0	0	0	111.5	V480 A482 N486 H488 T492 L493 L494 I515 L542	V480-L490 HydrophobicContact CG1-CD1 3.52Å; V480-L490 HydrophobicContact CG1-CD2 3.56Å; V480-L490 HydrophobicContact CG1-CG 4.16Å; A482-L490 HydrophobicContact CB-CD2 3.87Å; N486-L490 PolarHBondContact O-N 3.16Å; H488-L490 PolarHBondContact O-N 3.01Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 3.3Å; L490-L493 WeakPolarHBondContact O-CB 3.47Å; L490-L493 PolarHBondContact O-N 3.21Å; L490-L493 VanDerWaalsContact O-N 3.09Å; L490-L494 HydrophobicContact CD1-CD1 3.97Å; L490-L494 HydrophobicContact CD1-CD2 4.41Å; L490-L494 HydrophobicContact CD1-CG 3.91Å; L490-L494 HydrophobicContact CD2-CD1 4.44Å; L490-L494 HydrophobicContact CG-CD1 3.92Å; L490-L494 HydrophobicContact CG-CG 4.27Å; L490-L494 WeakPolarHBondContact O-CG 3.29Å; L490-L494 PolarHBondContact O-N 3.33Å; L490-I515 HydrophobicContact CD2-CD1 4.44Å; L490-L542 HydrophobicContact CB-CD2 3.81Å; L490-L542 HydrophobicContact CD1-CD2 4.34Å
491	R	96.5	Very high	96.4	Very high	154 Å²	154	49 Å²	49	58%	0.581	22%	0.218	S	C	*	.	H	α-helix	trans	-57.7	-46.9	178.9	-71.6	172.5	-175.6	177.3	1.7	111	S487 H488 L493 L494 D495	S487-R491 WeakPolarHBondContact O-CG 3.03Å; S487-R491 PolarHBondContact O-N 3.29Å; S487-R491 VanDerWaalsContact O-N 3.14Å; H488-R491 PolarHBondContact O-N 2.91Å; H488-R491 VanDerWaalsContact O-N 3.14Å; R491-L493 VanDerWaalsContact C-N 3.26Å; R491-L493 PolarHBondContact O-N 3.5Å; R491-L494 PolarHBondContact O-N 3.17Å; R491-D495 VanDerWaalsContact O-CG 3.31Å; R491-D495 PolarHBondContact O-N 3.32Å
492	T	96.8	Very high	96.1	Very high	54 Å²	54	52.3 Å²	52.3	33%	0.331	24%	0.242	S	C	.	.	H	α-helix	trans	-57	-37.3	175.5	-42.3	0	0	0	0	113.3	H488 L490 S496 L579	H488-T492 PolarHBondContact O-N 2.93Å; H488-T492 PolarHBondContact O-OG1 3.18Å; H488-T492 VanDerWaalsContact O-OG1 3.12Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 3.3Å; T492-S496 WeakPolarHBondContact O-CB 3.38Å; T492-S496 PolarHBondContact O-N 3.2Å; T492-S496 PolarHBondContact O-OG 3.01Å; T492-L579 HydrophobicContact CG2-CD2 3.95Å
493	L	97.7	Very high	95.7	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-69	-44.7	174.7	175	64.5	0	0	0	111.8	E489 L490 R491 S496 L497 L540 L542 V569 T574 L579 I586	E489-L493 WeakPolarHBondContact O-CB 3.37Å; E489-L493 PolarHBondContact O-N 3.32Å; E489-L493 VanDerWaalsContact O-N 3.15Å; L490-L493 WeakPolarHBondContact O-CB 3.47Å; L490-L493 PolarHBondContact O-N 3.21Å; L490-L493 VanDerWaalsContact O-N 3.09Å; R491-L493 VanDerWaalsContact C-N 3.26Å; R491-L493 PolarHBondContact O-N 3.5Å; L493-S496 PolarHBondContact O-N 3.08Å; L493-L497 VanDerWaalsContact O-CB 3.3Å; L493-L497 WeakPolarHBondContact O-CB 3.48Å; L493-L497 PolarHBondContact O-N 3.48Å; L493-L540 HydrophobicContact CD2-CD2 4.38Å; L493-L542 HydrophobicContact CD2-CD1 4.38Å; L493-V569 HydrophobicContact CD1-CG1 4.36Å; L493-V569 HydrophobicContact CD2-CB 4.09Å; L493-V569 HydrophobicContact CD2-CG1 3.87Å; L493-V569 HydrophobicContact CD2-CG2 4.18Å; L493-T574 HydrophobicContact CB-CG2 3.84Å; L493-T574 HydrophobicContact CD1-CG2 4.37Å; L493-T574 HydrophobicContact CD2-CG2 3.98Å; L493-T574 HydrophobicContact CG-CG2 4.28Å; L493-L579 HydrophobicContact CD1-CD1 4.2Å; L493-I586 HydrophobicContact CD1-CD1 4.19Å
494	L	97.8	Very high	95.6	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-46.3	179.8	-69	177.2	0	0	0	111.5	W478 V480 L490 R491 S496 L497 Y498 P511	W478-L494 HydrophobicContact CH2-CD2 3.67Å; W478-L494 HydrophobicContact CZ2-CD2 4.33Å; V480-L494 HydrophobicContact CG2-CD2 4.17Å; L490-L494 HydrophobicContact CD1-CD1 3.97Å; L490-L494 HydrophobicContact CD1-CD2 4.41Å; L490-L494 HydrophobicContact CD1-CG 3.91Å; L490-L494 HydrophobicContact CD2-CD1 4.44Å; L490-L494 HydrophobicContact CG-CD1 3.92Å; L490-L494 HydrophobicContact CG-CG 4.27Å; L490-L494 WeakPolarHBondContact O-CG 3.29Å; L490-L494 PolarHBondContact O-N 3.33Å; R491-L494 PolarHBondContact O-N 3.17Å; L494-S496 VanDerWaalsContact C-N 3.27Å; L494-S496 PolarHBondContact O-N 3.06Å; L494-L497 HydrophobicContact CD2-CD2 4.48Å; L494-L497 CarbonylContact O-C 3.52Å; L494-L497 WeakPolarHBondContact O-CA 3.46Å; L494-L497 WeakPolarHBondContact O-CB 3.32Å; L494-L497 PolarHBondContact O-N 2.99Å; L494-Y498 HydrophobicContact CB-CE2 3.83Å; L494-Y498 WeakPolarHBondContact O-CD2 3.44Å; L494-Y498 VanDerWaalsContact O-CG 3.24Å; L494-Y498 PolarHBondContact O-N 3.03Å; L494-P511 HydrophobicContact CD1-CG 4.18Å; L494-P511 HydrophobicContact CD2-CG 4.46Å
495	D	96.8	Very high	95.5	Very high	81 Å²	81	50.1 Å²	50.1	43%	0.433	25%	0.25	S	S	.	.	H	α-helix	trans	-57	-41.8	175.7	-66.5	-33.1	0	0	0	112.1	R491 R499	R491-D495 VanDerWaalsContact O-CG 3.31Å; R491-D495 PolarHBondContact O-N 3.32Å; D495-R499 WeakPolarHBondContact O-CD 3.4Å; D495-R499 VanDerWaalsContact O-CG 3.25Å; D495-R499 WeakPolarHBondContact O-CG 3.41Å; D495-R499 PolarHBondContact O-N 3.2Å
496	S	96.8	Very high	95.6	Very high	13 Å²	13	42.7 Å²	42.7	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-67.7	-37.8	175.7	-59.6	0	0	0	0	112	T492 L493 L494 A500 L579 A583	T492-S496 WeakPolarHBondContact O-CB 3.38Å; T492-S496 PolarHBondContact O-N 3.2Å; T492-S496 PolarHBondContact O-OG 3.01Å; L493-S496 PolarHBondContact O-N 3.08Å; L494-S496 VanDerWaalsContact C-N 3.27Å; L494-S496 PolarHBondContact O-N 3.06Å; S496-A500 VanDerWaalsContact O-CB 3.28Å; S496-A500 WeakPolarHBondContact O-CB 3.34Å; S496-A500 PolarHBondContact O-N 2.89Å; S496-A500 VanDerWaalsContact O-N 3.07Å; S496-L579 VanDerWaalsContact OG-CD2 3.28Å; S496-L579 WeakPolarHBondContact OG-CD2 3.47Å; S496-A583 WeakPolarHBondContact O-CB 3.36Å
497	L	97.1	Very high	95.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-68.9	-45.3	178.7	-176	67.8	0	0	0	111.9	W478 L493 L494 A500 A501 I586 A587 L590	W478-L497 HydrophobicContact CH2-CD2 3.92Å; L493-L497 VanDerWaalsContact O-CB 3.3Å; L493-L497 WeakPolarHBondContact O-CB 3.48Å; L493-L497 PolarHBondContact O-N 3.48Å; L494-L497 HydrophobicContact CD2-CD2 4.48Å; L494-L497 CarbonylContact O-C 3.52Å; L494-L497 WeakPolarHBondContact O-CA 3.46Å; L494-L497 WeakPolarHBondContact O-CB 3.32Å; L494-L497 PolarHBondContact O-N 2.99Å; L497-A500 PolarHBondContact O-N 3.01Å; L497-A501 WeakPolarHBondContact O-CB 3.33Å; L497-A501 PolarHBondContact O-N 2.89Å; L497-I586 HydrophobicContact CD1-CB 4.24Å; L497-I586 HydrophobicContact CD1-CG2 3.8Å; L497-A587 HydrophobicContact CD1-CB 3.96Å; L497-L590 HydrophobicContact CD1-CD1 4.11Å; L497-L590 HydrophobicContact CD2-CD1 3.97Å
498	Y	97.1	Very high	95.7	Very high	52 Å²	52	48.1 Å²	48.1	20%	0.204	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-49.3	177.2	-58.4	-44.5	0	0	0	111.1	W478 L494 S502 V508 P511	W478-Y498 HydrophobicContact CZ2-CE1 4.29Å; L494-Y498 HydrophobicContact CB-CE2 3.83Å; L494-Y498 WeakPolarHBondContact O-CD2 3.44Å; L494-Y498 VanDerWaalsContact O-CG 3.24Å; L494-Y498 PolarHBondContact O-N 3.03Å; Y498-S502 VanDerWaalsContact O-CB 3.27Å; Y498-S502 WeakPolarHBondContact O-CB 3.46Å; Y498-S502 PolarHBondContact O-N 3.34Å; Y498-S502 PolarHBondContact O-OG 2.98Å; Y498-V508 HydrophobicContact CD1-CB 4.18Å; Y498-V508 HydrophobicContact CD1-CG1 3.96Å; Y498-V508 HydrophobicContact CE1-CG1 3.95Å; Y498-P511 WeakPolarHBondContact OH-CD 3.48Å
499	R	95	Very high	95.7	Very high	180 Å²	180	47.9 Å²	47.9	68%	0.679	23%	0.233	S	C	*	.	H	α-helix	trans	-59.1	-49.7	177.9	-68.5	172.2	-169.6	-153.9	4.5	111.7	D495 G503 M580	D495-R499 WeakPolarHBondContact O-CD 3.4Å; D495-R499 VanDerWaalsContact O-CG 3.25Å; D495-R499 WeakPolarHBondContact O-CG 3.41Å; D495-R499 PolarHBondContact O-N 3.2Å; R499-G503 PolarHBondContact O-N 3.39Å; R499-M580 HydrophobicContact CB-CE 4.19Å; R499-M580 HydrophobicContact CB-SD 4.26Å
500	A	94.6	Very high	95.7	Very high	10 Å²	10	51.3 Å²	51.3	8%	0.083	26%	0.26	C	S	.	.	H	α-helix	trans	-68.2	-40.2	-178.4	0	0	0	0	0	113.5	S496 L497 M504 M580 A583	S496-A500 VanDerWaalsContact O-CB 3.28Å; S496-A500 WeakPolarHBondContact O-CB 3.34Å; S496-A500 PolarHBondContact O-N 2.89Å; S496-A500 VanDerWaalsContact O-N 3.07Å; L497-A500 PolarHBondContact O-N 3.01Å; A500-M504 WeakPolarHBondContact O-CE 3.37Å; A500-M580 HydrophobicContact CB-SD 4.07Å; A500-A583 HydrophobicContact CB-CB 4.02Å
501	A	95.5	Very high	95.7	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.9	-42.2	178.4	0	0	0	0	0	111.7	L497 M504 G505 L506 V508 A587	L497-A501 WeakPolarHBondContact O-CB 3.33Å; L497-A501 PolarHBondContact O-N 2.89Å; A501-M504 CarbonylContact O-C 3.54Å; A501-M504 PolarHBondContact O-N 2.91Å; A501-G505 PolarHBondContact O-N 2.92Å; A501-L506 CarbonylContact C-O 3.57Å; A501-L506 VanDerWaalsContact C-O 3.25Å; A501-L506 HydrophobicContact CB-CB 4.17Å; A501-L506 HydrophobicContact CB-CD2 4.25Å; A501-L506 HydrophobicContact CB-CG 4.34Å; A501-L506 WeakPolarHBondContact CB-O 3.37Å; A501-L506 PolarHBondContact O-N 3.41Å; A501-V508 HydrophobicContact CB-CG2 3.63Å; A501-A587 HydrophobicContact CB-CB 3.81Å
502	S	92.5	Very high	95.8	Very high	70 Å²	70	49.1 Å²	49.1	49%	0.49	26%	0.258	S	S	.	.	H	α-helix	trans	-64	-42.8	-178.3	-57.5	0	0	0	0	112.3	Y498 M504 G505	Y498-S502 VanDerWaalsContact O-CB 3.27Å; Y498-S502 WeakPolarHBondContact O-CB 3.46Å; Y498-S502 PolarHBondContact O-N 3.34Å; Y498-S502 PolarHBondContact O-OG 2.98Å; S502-M504 VanDerWaalsContact C-N 3.27Å; S502-M504 PolarHBondContact O-N 3.16Å; S502-G505 PolarHBondContact O-N 3.25Å
503	G	89.9	Confident	95.7	Very high	45 Å²	45	50.8 Å²	50.8	46%	0.464	26%	0.262	S	S	.	.	H	α-helix	trans	-58.7	-37.8	174.7	0	0	0	0	0	113	R499 G505	R499-G503 PolarHBondContact O-N 3.39Å; G503-G505 VanDerWaalsContact C-N 3.27Å; G503-G505 PolarHBondContact O-N 2.88Å
504	M	93.9	Very high	95.7	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	6.6	175.8	-63.9	-172.9	-59.2	0	0	114.5	F462 R466 M467 A500 A501 S502 L506 T584 A587 I588	F462-M504 HydrophobicContact CB-SD 4.15Å; F462-M504 HydrophobicContact CD1-SD 4.06Å; F462-M504 WeakPolarHBondContact O-CG 3.27Å; R466-M504 WeakPolarHBondContact CA-O 3.21Å; M467-M504 HydrophobicContact CE-CB 3.98Å; M467-M504 HydrophobicContact CE-CE 4.21Å; M467-M504 HydrophobicContact CG-CB 4.24Å; M467-M504 PolarHBondContact N-O 2.95Å; A500-M504 WeakPolarHBondContact O-CE 3.37Å; A501-M504 CarbonylContact O-C 3.54Å; A501-M504 PolarHBondContact O-N 2.91Å; S502-M504 VanDerWaalsContact C-N 3.27Å; S502-M504 PolarHBondContact O-N 3.16Å; M504-L506 PolarHBondContact O-N 3.47Å; M504-T584 HydrophobicContact CE-CG2 3.99Å; M504-T584 WeakPolarHBondContact CE-O 3.2Å; M504-T584 HydrophobicContact SD-CG2 3.53Å; M504-T584 VanDerWaalsContact SD-CG2 3.53Å; M504-A587 HydrophobicContact CE-CB 3.46Å; M504-A587 VanDerWaalsContact CE-CB 3.46Å; M504-I588 HydrophobicContact CE-CG1 3.89Å; M504-I588 HydrophobicContact SD-CD1 3.98Å; M504-I588 HydrophobicContact SD-CG1 3.66Å
505	G	94.3	Very high	95.7	Very high	24 Å²	24	55.4 Å²	55.4	25%	0.247	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	8.1	178.7	0	0	0	0	0	115.8	T470 A501 S502 G503 R507	T470-G505 PolarHBondContact OG1-O 2.9Å; A501-G505 PolarHBondContact O-N 2.92Å; S502-G505 PolarHBondContact O-N 3.25Å; G503-G505 VanDerWaalsContact C-N 3.27Å; G503-G505 PolarHBondContact O-N 2.88Å; G505-R507 PolarHBondContact O-N 2.99Å
506	L	96.1	Very high	95.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.			trans	-89.6	100.2	171	177.7	66	0	0	0	109.2	M467 T470 P471 A501 M504 V508 N591	M467-L506 HydrophobicContact CE-CB 3.72Å; M467-L506 HydrophobicContact CE-CD2 4.37Å; T470-L506 HydrophobicContact CG2-CB 4.34Å; P471-L506 HydrophobicContact CG-CD1 3.95Å; A501-L506 CarbonylContact C-O 3.57Å; A501-L506 VanDerWaalsContact C-O 3.25Å; A501-L506 HydrophobicContact CB-CB 4.17Å; A501-L506 HydrophobicContact CB-CD2 4.25Å; A501-L506 HydrophobicContact CB-CG 4.34Å; A501-L506 WeakPolarHBondContact CB-O 3.37Å; A501-L506 PolarHBondContact O-N 3.41Å; M504-L506 PolarHBondContact O-N 3.47Å; L506-V508 HydrophobicContact CD2-CG2 4.14Å; L506-V508 HydrophobicContact CG-CG2 3.94Å; L506-V508 PolarHBondContact O-N 2.75Å; L506-N591 HydrophobicContact CD2-CB 4.33Å
507	R	96.1	Very high	95.6	Very high	128 Å²	128	61.6 Å²	61.6	48%	0.483	30%	0.302	S	S	.	.			trans	-63.6	123.2	170.6	-178	171.2	71.8	-150.3	3	109.3	S472 D473 G474 L475 G505	S472-R507 PolarHBondContact O-NH2 3.06Å; D473-R507 PolarHBondContact O-NE 2.93Å; D473-R507 VanDerWaalsContact O-NE 3.17Å; D473-R507 PolarHBondContact O-NH2 3.28Å; G474-R507 CarbonylContact C-O 3.28Å; G474-R507 WeakPolarHBondContact CA-O 3.25Å; L475-R507 PolarHBondContact N-O 2.97Å; G505-R507 PolarHBondContact O-N 2.99Å
508	V	96.5	Very high	95.4	Very high	19 Å²	19	63.1 Å²	63.1	12%	0.115	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-122.6	125.9	175.1	-178	0	0	0	0	108	L475 W478 Y498 A501 L506	L475-V508 HydrophobicContact CB-CG1 4.32Å; L475-V508 HydrophobicContact CB-CG2 4.2Å; L475-V508 HydrophobicContact CD2-CG1 4.34Å; W478-V508 HydrophobicContact CZ2-CG1 3.58Å; Y498-V508 HydrophobicContact CD1-CB 4.18Å; Y498-V508 HydrophobicContact CD1-CG1 3.96Å; Y498-V508 HydrophobicContact CE1-CG1 3.95Å; A501-V508 HydrophobicContact CB-CG2 3.63Å; L506-V508 HydrophobicContact CD2-CG2 4.14Å; L506-V508 HydrophobicContact CG-CG2 3.94Å; L506-V508 PolarHBondContact O-N 2.75Å
509	R	95.8	Very high	95.2	Very high	140 Å²	140	62.5 Å²	62.5	53%	0.528	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-89.1	170.4	172.8	-66.1	-172	174.4	164.1	-2.9	110.5	L475 W478	L475-R509 PolarHBondContact O-N 3.46Å; W478-R509 PolarHBondContact NE1-O 3.13Å
510	S	96.7	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	-59.8	136.9	172.2	-52.3	0	0	0	0	111.4
511	P	97.3	Very high	95.3	Very high	17 Å²	17	62.6 Å²	62.6	11%	0.11	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-78	164.7	176.8	31.3	-34.2	0	0	0	112.4	W478 V480 L494 Y498 E513	W478-P511 HydrophobicContact CD2-CB 3.83Å; W478-P511 HydrophobicContact CE3-CB 4.17Å; W478-P511 HydrophobicContact CG-CB 4.32Å; W478-P511 HydrophobicContact CH2-CB 4.21Å; W478-P511 HydrophobicContact CH2-CG 4.21Å; W478-P511 HydrophobicContact CZ2-CB 3.84Å; W478-P511 HydrophobicContact CZ2-CG 3.92Å; W478-P511 HydrophobicContact CZ3-CB 4.35Å; W478-P511 WeakPolarHBondContact O-CA 3.45Å; V480-P511 HydrophobicContact CB-CB 4.33Å; V480-P511 HydrophobicContact CB-CG 4.3Å; V480-P511 HydrophobicContact CG2-CB 3.69Å; V480-P511 HydrophobicContact CG2-CG 3.6Å; L494-P511 HydrophobicContact CD1-CG 4.18Å; L494-P511 HydrophobicContact CD2-CG 4.46Å; Y498-P511 WeakPolarHBondContact OH-CD 3.48Å; P511-E513 PolarHBondContact O-N 3.32Å
512	Q	97.2	Very high	95.4	Very high	92 Å²	92	64.6 Å²	64.6	43%	0.43	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	116	157.2	-168.8	176	7.6	0	0	109.3	W478 A479 V480 F514 S534	W478-Q512 PolarHBondContact O-N 2.79Å; A479-Q512 VanDerWaalsContact CA-O 3.3Å; A479-Q512 WeakPolarHBondContact CA-O 3.4Å; A479-Q512 HydrophobicContact CB-CB 4.19Å; V480-Q512 PolarHBondContact N-O 3.02Å; 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 4.27Å; Q512-S534 PolarHBondContact OE1-OG 3.35Å
513	E	96.2	Very high	95.6	Very high	89 Å²	89	62 Å²	62	42%	0.416	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	115.9	178.3	-69.1	-169.9	-169.8	0	0	111.7	P511 I515	P511-E513 PolarHBondContact O-N 3.32Å; E513-I515 HydrophobicContact CB-CD1 4.42Å
514	F	96.8	Very high	96	Very high	42 Å²	42	59.8 Å²	59.8	18%	0.184	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	89.8	170.2	-76.7	-93.6	0	0	0	109.5	A479 V480 I481 A482 Q512 D530 C531	A479-F514 HydrophobicContact CB-CD2 4.27Å; A479-F514 HydrophobicContact CB-CE2 4.34Å; V480-F514 PolarHBondContact O-N 3.44Å; I481-F514 WeakPolarHBondContact CA-O 3.5Å; I481-F514 HydrophobicContact CG1-CB 4.03Å; A482-F514 PolarHBondContact N-O 3.12Å; 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 4.27Å; F514-D530 HydrophobicContact CE1-CB 4.49Å; F514-C531 HydrophobicContact CD2-CB 3.9Å; F514-C531 HydrophobicContact CE1-CB 4.15Å; 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 4.39Å; F514-C531 VanDerWaalsContact CZ-CA 3.49Å; F514-C531 HydrophobicContact CZ-CB 3.64Å
515	I	97.3	Very high	96.2	Very high	62 Å²	62	60.7 Å²	60.7	32%	0.318	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	121.8	177.5	-55.9	-55.4	0	0	0	109.8	A482 Q484 L490 E513	A482-I515 WeakPolarHBondContact O-CA 3.3Å; Q484-I515 VanDerWaalsContact CA-CG2 3.48Å; Q484-I515 HydrophobicContact CB-CG2 3.61Å; Q484-I515 HydrophobicContact CG-CG2 4.02Å; L490-I515 HydrophobicContact CD2-CD1 4.44Å; E513-I515 HydrophobicContact CB-CD1 4.42Å
516	I	97.3	Very high	96.4	Very high	15 Å²	15	66.9 Å²	66.9	8%	0.077	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	145	-179.5	58.1	175.3	0	0	0	111.9	I481 A482 P483 Q484 D518 Y524 A527	I481-I516 HydrophobicContact CG2-CD1 4.08Å; I481-I516 HydrophobicContact CG2-CG1 4.5Å; I481-I516 HydrophobicContact CG2-CG2 4.27Å; A482-I516 PolarHBondContact O-N 3.01Å; P483-I516 CarbonylContact C-O 3.52Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.34Å; P483-I516 HydrophobicContact CG-CG1 4.46Å; Q484-I516 PolarHBondContact N-O 3.09Å; I516-D518 VanDerWaalsContact CD1-O 3.24Å; I516-D518 WeakPolarHBondContact CD1-O 3.46Å; I516-D518 WeakPolarHBondContact CG1-O 3.47Å; I516-Y524 HydrophobicContact CD1-CD1 4.02Å; I516-Y524 HydrophobicContact CD1-CD2 3.84Å; I516-Y524 HydrophobicContact CD1-CE1 3.99Å; I516-Y524 HydrophobicContact CD1-CE2 3.79Å; I516-Y524 HydrophobicContact CD1-CG 3.95Å; I516-A527 HydrophobicContact CG2-CB 3.78Å
517	Y	94.1	Very high	96.4	Very high	209 Å²	209	67.3 Å²	67.3	82%	0.82	32%	0.316	S	S	*	.	S	Bend	trans	-71.4	-29.5	-175.9	-57.3	-68.5	0	0	0	114
518	D	93.3	Very high	96.5	Very high	33 Å²	33	61.4 Å²	61.4	18%	0.176	29%	0.294	C	S	.	.			trans	-133.4	175.1	-179.5	72.5	56.8	0	0	0	111.9	I516 R520 T523	I516-D518 VanDerWaalsContact CD1-O 3.24Å; I516-D518 WeakPolarHBondContact CD1-O 3.46Å; I516-D518 WeakPolarHBondContact CG1-O 3.47Å; D518-R520 VanDerWaalsContact CG-NE 3.31Å; D518-R520 VanDerWaalsContact OD1-CB 3.22Å; D518-R520 WeakPolarHBondContact OD1-CB 3.47Å; D518-R520 WeakPolarHBondContact OD1-CG 3.47Å; D518-R520 PolarHBondContact OD1-N 3.12Å; D518-R520 IonicContact OD1-NE 3.43Å; D518-R520 PolarHBondContact OD1-NE 2.94Å; D518-R520 IonicContact OD2-CZ 3.18Å; D518-R520 IonicContact OD2-NE 2.85Å; D518-R520 PolarHBondContact OD2-NE 3.2Å; D518-R520 IonicContact OD2-NH2 2.76Å; D518-R520 PolarHBondContact OD2-NH2 2.72Å; D518-T523 WeakPolarHBondContact OD1-CB 3.39Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.44Å; D518-T523 PolarHBondContact OD1-OG1 3.39Å; D518-T523 WeakPolarHBondContact OD2-CG2 3.43Å
519	D	93.1	Very high	96.5	Very high	39 Å²	39	62.4 Å²	62.4	21%	0.209	30%	0.298	C	S	.	.			trans	-108.8	18.8	-179.6	68	-13.6	0	0	0	114.3	P483 R485 Y524 P544 R550	P483-D519 HydrophobicContact CG-CB 4.1Å; R485-D519 IonicContact CZ-OD2 3.71Å; R485-D519 IonicContact NH1-OD2 2.8Å; R485-D519 IonicContact NH2-OD2 3.48Å; R485-D519 PolarHBondContact NH2-OD2 3.06Å; D519-Y524 HydrophobicContact CB-CE2 4.27Å; D519-P544 HydrophobicContact CB-CG 3.89Å; D519-P544 VanDerWaalsContact OD2-CG 3.25Å; D519-P544 WeakPolarHBondContact OD2-CG 3.37Å; D519-R550 PolarHBondContact O-NE 3.4Å; D519-R550 PolarHBondContact O-NH2 2.89Å; D519-R550 IonicContact OD2-NH2 2.69Å; D519-R550 PolarHBondContact OD2-NH2 3.07Å
520	R	95.8	Very high	96.4	Very high	163 Å²	163	59 Å²	59	62%	0.615	29%	0.291	S	S	*	.			trans	-67.4	150.6	-179.9	-63.6	-177	-77	-168.6	-9.2	111.4	D518 G522 T523 Y524	D518-R520 VanDerWaalsContact CG-NE 3.31Å; D518-R520 VanDerWaalsContact OD1-CB 3.22Å; D518-R520 WeakPolarHBondContact OD1-CB 3.47Å; D518-R520 WeakPolarHBondContact OD1-CG 3.47Å; D518-R520 PolarHBondContact OD1-N 3.12Å; D518-R520 IonicContact OD1-NE 3.43Å; D518-R520 PolarHBondContact OD1-NE 2.94Å; D518-R520 IonicContact OD2-CZ 3.18Å; D518-R520 IonicContact OD2-NE 2.85Å; D518-R520 PolarHBondContact OD2-NE 3.2Å; D518-R520 IonicContact OD2-NH2 2.76Å; D518-R520 PolarHBondContact OD2-NH2 2.72Å; R520-G522 PolarHBondContact O-N 3.39Å; R520-G522 VanDerWaalsContact O-N 3.17Å; R520-T523 PolarHBondContact N-OG1 2.79Å; R520-T523 PolarHBondContact O-N 2.84Å; R520-T523 VanDerWaalsContact O-N 3.13Å; R520-T523 PolarHBondContact O-OG1 3.4Å; R520-Y524 WeakPolarHBondContact O-CD2 3.43Å
521	T	96.6	Very high	96.3	Very high	29 Å²	29	54.3 Å²	54.3	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-53.9	-40.4	178.4	-55	0	0	0	0	112.1	T523 V525 E549 S553	T521-T523 PolarHBondContact O-N 2.76Å; T521-V525 VanDerWaalsContact O-CG2 3.3Å; T521-V525 WeakPolarHBondContact O-CG2 3.23Å; T521-V525 PolarHBondContact O-N 3.09Å; T521-E549 WeakPolarHBondContact CB-OE1 3.18Å; T521-E549 PolarHBondContact OG1-OE1 3.49Å; T521-S553 WeakPolarHBondContact CG2-OG 3.5Å
522	G	97	Very high	96.2	Very high	41 Å²	41	54.7 Å²	54.7	42%	0.423	26%	0.26	S	S	.	.	H	α-helix	trans	-73.8	-11.6	-179.5	0	0	0	0	0	117	R520 R526	R520-G522 PolarHBondContact O-N 3.39Å; R520-G522 VanDerWaalsContact O-N 3.17Å; G522-R526 WeakPolarHBondContact O-CG 3.47Å; G522-R526 PolarHBondContact O-N 2.96Å; G522-R526 PolarHBondContact O-NE 2.88Å
523	T	97.2	Very high	96	Very high	15 Å²	15	59.1 Å²	59.1	9%	0.092	27%	0.273	C	S	.	.	H	α-helix	trans	-86.8	-43.6	172.2	39.4	0	0	0	0	111.4	D518 R520 T521 V525 R526 A527	D518-T523 WeakPolarHBondContact OD1-CB 3.39Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.44Å; D518-T523 PolarHBondContact OD1-OG1 3.39Å; D518-T523 WeakPolarHBondContact OD2-CG2 3.43Å; R520-T523 PolarHBondContact N-OG1 2.79Å; R520-T523 PolarHBondContact O-N 2.84Å; R520-T523 VanDerWaalsContact O-N 3.13Å; R520-T523 PolarHBondContact O-OG1 3.4Å; T521-T523 PolarHBondContact O-N 2.76Å; T523-V525 VanDerWaalsContact C-N 3.29Å; T523-V525 PolarHBondContact O-N 2.67Å; T523-R526 PolarHBondContact O-N 3.28Å; T523-A527 WeakPolarHBondContact O-CB 3.19Å; T523-A527 PolarHBondContact O-N 2.99Å
524	Y	98.2	Very high	95.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.8	-43.1	169.7	-72.8	-90.2	0	0	0	111.9	I481 P483 I516 D519 R520 A527 M528 C541 L542 V543 R550 I554	I481-Y524 HydrophobicContact CB-CD1 4.49Å; I481-Y524 HydrophobicContact CG2-CD1 3.75Å; I481-Y524 HydrophobicContact CG2-CE1 4.19Å; P483-Y524 WeakPolarHBondContact CD-OH 3.4Å; P483-Y524 VanDerWaalsContact CG-OH 3.3Å; P483-Y524 WeakPolarHBondContact CG-OH 3.36Å; I516-Y524 HydrophobicContact CD1-CD1 4.02Å; I516-Y524 HydrophobicContact CD1-CD2 3.84Å; I516-Y524 HydrophobicContact CD1-CE1 3.99Å; I516-Y524 HydrophobicContact CD1-CE2 3.79Å; I516-Y524 HydrophobicContact CD1-CG 3.95Å; D519-Y524 HydrophobicContact CB-CE2 4.27Å; R520-Y524 WeakPolarHBondContact O-CD2 3.43Å; Y524-A527 PolarHBondContact O-N 2.92Å; Y524-M528 WeakPolarHBondContact O-CB 3.27Å; Y524-M528 VanDerWaalsContact O-CG 3.3Å; Y524-M528 WeakPolarHBondContact O-CG 3.36Å; Y524-M528 PolarHBondContact O-N 3.16Å; Y524-C541 HydrophobicContact CD1-CB 4.28Å; Y524-C541 HydrophobicContact CE1-CB 4.33Å; Y524-L542 PolarHBondContact OH-O 3.28Å; Y524-L542 VanDerWaalsContact OH-O 3.06Å; Y524-V543 HydrophobicContact CE1-CG1 4.1Å; Y524-R550 HydrophobicContact CD2-CG 4.25Å; Y524-R550 HydrophobicContact CE2-CG 4.5Å; Y524-I554 HydrophobicContact CD1-CD1 3.96Å; Y524-I554 HydrophobicContact CG-CD1 4.06Å
525	V	97.7	Very high	95.8	Very high	21 Å²	21	59.7 Å²	59.7	13%	0.127	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-48.2	179.8	167.6	0	0	0	0	111.8	T521 T523 M528 D529 R557	T521-V525 VanDerWaalsContact O-CG2 3.3Å; T521-V525 WeakPolarHBondContact O-CG2 3.23Å; T521-V525 PolarHBondContact O-N 3.09Å; T523-V525 VanDerWaalsContact C-N 3.29Å; T523-V525 PolarHBondContact O-N 2.67Å; V525-M528 WeakPolarHBondContact O-CB 3.4Å; V525-M528 PolarHBondContact O-N 2.94Å; V525-D529 PolarHBondContact O-N 3.04Å; V525-R557 HydrophobicContact CG1-CG 3.9Å; V525-R557 HydrophobicContact CG2-CG 4.05Å
526	R	97.3	Very high	95.8	Very high	154 Å²	154	57 Å²	57	58%	0.581	27%	0.27	S	S	*	.	H	α-helix	trans	-62.8	-47.6	176.9	-75	-178.3	-69.5	161.4	-0.3	111.8	G522 T523 M528 D529 D530	G522-R526 WeakPolarHBondContact O-CG 3.47Å; G522-R526 PolarHBondContact O-N 2.96Å; G522-R526 PolarHBondContact O-NE 2.88Å; T523-R526 PolarHBondContact O-N 3.28Å; R526-M528 PolarHBondContact O-N 2.71Å; R526-D529 PolarHBondContact O-N 3.34Å; R526-D530 PolarHBondContact O-N 2.76Å; R526-D530 VanDerWaalsContact O-OD2 3.12Å
527	A	97.6	Very high	95.8	Very high	9 Å²	9	59.4 Å²	59.4	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-58.5	-32.9	176.2	0	0	0	0	0	112.7	I481 I516 T523 Y524 C531	I481-A527 HydrophobicContact CD1-CB 4.08Å; I481-A527 HydrophobicContact CG1-CB 4.42Å; I481-A527 HydrophobicContact CG2-CB 3.93Å; I516-A527 HydrophobicContact CG2-CB 3.78Å; T523-A527 WeakPolarHBondContact O-CB 3.19Å; T523-A527 PolarHBondContact O-N 2.99Å; Y524-A527 PolarHBondContact O-N 2.92Å; A527-C531 WeakPolarHBondContact O-CB 3.49Å; A527-C531 PolarHBondContact O-N 2.91Å
528	M	97.6	Very high	96	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-68	-47.5	170.4	-74.7	-179.3	67.2	0	0	112.3	I481 Y524 V525 R526 D530 C531 V532 I554 R557 T566	I481-M528 HydrophobicContact CD1-CB 4.23Å; I481-M528 HydrophobicContact CD1-CG 3.36Å; Y524-M528 WeakPolarHBondContact O-CB 3.27Å; Y524-M528 VanDerWaalsContact O-CG 3.3Å; Y524-M528 WeakPolarHBondContact O-CG 3.36Å; Y524-M528 PolarHBondContact O-N 3.16Å; V525-M528 WeakPolarHBondContact O-CB 3.4Å; V525-M528 PolarHBondContact O-N 2.94Å; R526-M528 PolarHBondContact O-N 2.71Å; M528-D530 VanDerWaalsContact C-N 3.33Å; M528-D530 PolarHBondContact O-N 3.14Å; M528-C531 PolarHBondContact O-N 2.97Å; M528-V532 VanDerWaalsContact O-CG2 3.23Å; M528-V532 WeakPolarHBondContact O-CG2 3.38Å; M528-V532 PolarHBondContact O-N 2.87Å; M528-I554 HydrophobicContact CE-CG2 4.5Å; M528-I554 WeakPolarHBondContact CE-O 3.32Å; M528-I554 HydrophobicContact SD-CB 4.24Å; M528-I554 HydrophobicContact SD-CG1 4.23Å; M528-I554 HydrophobicContact SD-CG2 3.89Å; M528-R557 HydrophobicContact CE-CB 4.22Å; M528-T566 HydrophobicContact CE-CG2 3.85Å
529	D	95.9	Very high	96.3	Very high	40 Å²	40	47.9 Å²	47.9	21%	0.214	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-32	-179.9	-82.7	-55.6	0	0	0	113.3	V525 R526 R557 R562	V525-D529 PolarHBondContact O-N 3.04Å; R526-D529 PolarHBondContact O-N 3.34Å; D529-R557 IonicContact OD2-NE 2.73Å; D529-R562 IonicContact OD1-CZ 3.99Å; D529-R562 IonicContact OD1-NE 2.69Å; D529-R562 PolarHBondContact OD1-NE 3.12Å; D529-R562 IonicContact OD1-NH2 2.65Å; D529-R562 PolarHBondContact OD1-NH2 2.66Å
530	D	95.3	Very high	96.5	Very high	68 Å²	68	46.1 Å²	46.1	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-72.4	-44	170	-67.3	-52.3	0	0	0	111.5	F514 R526 M528 V532 R533	F514-D530 HydrophobicContact CE1-CB 4.49Å; R526-D530 PolarHBondContact O-N 2.76Å; R526-D530 VanDerWaalsContact O-OD2 3.12Å; M528-D530 VanDerWaalsContact C-N 3.33Å; M528-D530 PolarHBondContact O-N 3.14Å; D530-V532 PolarHBondContact O-N 3.1Å; D530-R533 WeakPolarHBondContact O-CB 3.31Å; D530-R533 WeakPolarHBondContact O-CG 3.45Å; D530-R533 PolarHBondContact O-N 3.01Å; D530-R533 IonicContact OD1-CZ 2.69Å; D530-R533 IonicContact OD1-NH1 2.72Å; D530-R533 PolarHBondContact OD1-NH1 3.05Å; D530-R533 IonicContact OD1-NH2 3.1Å; D530-R533 PolarHBondContact OD1-NH2 2.83Å
531	C	94.3	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-34.6	179.3	172.4	0	0	0	0	113.8	A479 F514 A527 M528 R533 S534 P536 I539	A479-C531 WeakPolarHBondContact CB-SG 3.34Å; F514-C531 HydrophobicContact CD2-CB 3.9Å; F514-C531 HydrophobicContact CE1-CB 4.15Å; 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 4.39Å; F514-C531 VanDerWaalsContact CZ-CA 3.49Å; F514-C531 HydrophobicContact CZ-CB 3.64Å; A527-C531 WeakPolarHBondContact O-CB 3.49Å; A527-C531 PolarHBondContact O-N 2.91Å; M528-C531 PolarHBondContact O-N 2.97Å; C531-R533 PolarHBondContact O-N 3.05Å; C531-R533 VanDerWaalsContact O-N 3.12Å; C531-S534 PolarHBondContact O-N 3.01Å; C531-S534 VanDerWaalsContact O-N 3.12Å; C531-S534 PolarHBondContact O-OG 2.87Å; C531-S534 VanDerWaalsContact O-OG 3.07Å; C531-P536 WeakPolarHBondContact O-CD 3.27Å; C531-I539 HydrophobicContact CB-CD1 4.47Å
532	V	94.3	Very high	96.7	Very high	25 Å²	25	37 Å²	37	15%	0.152	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-62.2	-20.8	179.4	168.6	0	0	0	0	112	M528 D530 S534 D535 I539 R562 V564	M528-V532 VanDerWaalsContact O-CG2 3.23Å; M528-V532 WeakPolarHBondContact O-CG2 3.38Å; M528-V532 PolarHBondContact O-N 2.87Å; D530-V532 PolarHBondContact O-N 3.1Å; V532-S534 PolarHBondContact O-N 2.9Å; V532-S534 VanDerWaalsContact O-N 3.17Å; V532-D535 PolarHBondContact O-N 3.08Å; V532-I539 HydrophobicContact CG2-CD1 4.04Å; V532-R562 HydrophobicContact CG2-CG 4.39Å; V532-V564 HydrophobicContact CG1-CG2 4.45Å; V532-V564 HydrophobicContact CG2-CG2 4.09Å
533	R	92.9	Very high	96.8	Very high	185 Å²	185	35.5 Å²	35.5	70%	0.698	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-64.5	-14.6	175.1	-56.1	-175.5	-167.3	124.9	19.4	114.6	D530 C531	D530-R533 WeakPolarHBondContact O-CB 3.31Å; D530-R533 WeakPolarHBondContact O-CG 3.45Å; D530-R533 PolarHBondContact O-N 3.01Å; D530-R533 IonicContact OD1-CZ 2.69Å; D530-R533 IonicContact OD1-NH1 2.72Å; D530-R533 PolarHBondContact OD1-NH1 3.05Å; D530-R533 IonicContact OD1-NH2 3.1Å; D530-R533 PolarHBondContact OD1-NH2 2.83Å; C531-R533 PolarHBondContact O-N 3.05Å; C531-R533 VanDerWaalsContact O-N 3.12Å
534	S	93.2	Very high	96.7	Very high	37 Å²	37	36 Å²	36	26%	0.259	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-96	12.1	171.5	65.6	0	0	0	0	113.5	R477 Q512 C531 V532 P536	R477-S534 WeakPolarHBondContact CD-O 3.43Å; R477-S534 PolarHBondContact NE-O 2.9Å; Q512-S534 PolarHBondContact OE1-OG 3.35Å; C531-S534 PolarHBondContact O-N 3.01Å; C531-S534 VanDerWaalsContact O-N 3.12Å; C531-S534 PolarHBondContact O-OG 2.87Å; C531-S534 VanDerWaalsContact O-OG 3.07Å; V532-S534 PolarHBondContact O-N 2.9Å; V532-S534 VanDerWaalsContact O-N 3.17Å; S534-P536 VanDerWaalsContact C-CD 3.5Å
535	D	95.8	Very high	96.4	Very high	106 Å²	106	40 Å²	40	57%	0.567	19%	0.193	S	C	*	.			trans	43.9	53.8	-177.9	-73	-31	0	0	0	114.2	R477 V532 K537	R477-D535 VanDerWaalsContact CZ-O 3.24Å; R477-D535 PolarHBondContact NE-O 3.18Å; R477-D535 PolarHBondContact NH2-O 3.21Å; V532-D535 PolarHBondContact O-N 3.08Å; D535-K537 PolarHBondContact O-N 2.77Å
536	P	97.2	Very high	96.2	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.039	23%	0.226	C	C	.	.			trans	-64.9	132.8	-178.3	28	-35.9	0	0	0	111.6	A479 C531 S534 L538 I539 V564	A479-P536 HydrophobicContact CB-CB 4.45Å; C531-P536 WeakPolarHBondContact O-CD 3.27Å; S534-P536 VanDerWaalsContact C-CD 3.5Å; P536-L538 PolarHBondContact O-N 3.49Å; P536-I539 HydrophobicContact CB-CG1 4.2Å; P536-I539 HydrophobicContact CG-CD1 3.93Å; P536-I539 HydrophobicContact CG-CG1 3.73Å; P536-V564 HydrophobicContact CG-CG1 4.36Å
537	K	97.4	Very high	96	Very high	65 Å²	65	41.3 Å²	41.3	28%	0.283	21%	0.211	S	C	.	.	S	Bend	trans	-62.4	-23.9	174.4	-65	-176.7	-179.2	165.7	0	111.9	D473 L475 D476 R477 D535 L594	D473-K537 IonicContact OD2-NZ 3.91Å; D473-K537 PolarHBondContact OD2-NZ 3.07Å; L475-K537 HydrophobicContact CD1-CB 4.14Å; D476-K537 WeakPolarHBondContact OD1-CD 3.35Å; D476-K537 WeakPolarHBondContact OD1-CE 3.46Å; D476-K537 IonicContact OD1-NZ 3.31Å; D476-K537 PolarHBondContact OD1-NZ 2.8Å; D476-K537 IonicContact OD2-NZ 3.42Å; D476-K537 PolarHBondContact OD2-NZ 3.4Å; R477-K537 WeakPolarHBondContact O-CB 3.29Å; R477-K537 PolarHBondContact O-N 3.1Å; D535-K537 PolarHBondContact O-N 2.77Å; K537-L594 HydrophobicContact CB-CD2 3.89Å
538	L	98.5	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.			trans	-157.9	150.6	174.6	-173.1	136.4	0	0	0	111.6	L475 W478 A479 P536 L540 P565 Q567 L590 K593 L594	L475-L538 HydrophobicContact CD1-CB 4.21Å; W478-L538 WeakPolarHBondContact CA-O 3.13Å; W478-L538 WeakPolarHBondContact CB-O 3.27Å; W478-L538 HydrophobicContact CE3-CD2 4.22Å; A479-L538 PolarHBondContact N-O 2.64Å; A479-L538 VanDerWaalsContact N-O 3.11Å; P536-L538 PolarHBondContact O-N 3.49Å; L538-L540 HydrophobicContact CD2-CB 4.4Å; L538-P565 WeakPolarHBondContact CA-O 3.17Å; L538-P565 HydrophobicContact CD1-CB 4.29Å; L538-Q567 HydrophobicContact CD2-CB 4.3Å; L538-L590 HydrophobicContact CD1-CB 4.48Å; L538-L590 HydrophobicContact CD1-CD2 3.68Å; L538-L590 HydrophobicContact CD2-CD2 3.81Å; L538-L590 HydrophobicContact CG-CD2 4.42Å; L538-K593 HydrophobicContact CD1-CB 3.9Å; L538-K593 HydrophobicContact CD1-CD 4.34Å; L538-L594 HydrophobicContact CB-CD2 4.4Å
539	I	98.7	Very high	95.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.6	169.4	-57.5	171.6	0	0	0	110.1	A479 I481 C531 V532 P536 V564 P565 T566 Q567	A479-I539 HydrophobicContact CB-CG1 4.48Å; A479-I539 CarbonylContact O-C 3.55Å; A479-I539 WeakPolarHBondContact O-CA 3.31Å; I481-I539 HydrophobicContact CD1-CG2 3.77Å; I481-I539 HydrophobicContact CG1-CG2 4.03Å; C531-I539 HydrophobicContact CB-CD1 4.47Å; V532-I539 HydrophobicContact CG2-CD1 4.04Å; P536-I539 HydrophobicContact CB-CG1 4.2Å; P536-I539 HydrophobicContact CG-CD1 3.93Å; P536-I539 HydrophobicContact CG-CG1 3.73Å; I539-V564 HydrophobicContact CD1-CG1 3.92Å; I539-V564 HydrophobicContact CG1-CG1 3.88Å; I539-P565 PolarHBondContact N-O 3.28Å; I539-T566 HydrophobicContact CB-CG2 4.35Å; I539-T566 CarbonylContact O-C 3.22Å; I539-T566 VanDerWaalsContact O-CA 3.24Å; I539-T566 WeakPolarHBondContact O-CA 3.49Å; I539-Q567 PolarHBondContact O-N 2.91Å
540	L	98.8	Very high	95.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.6	175	-175.1	155.3	0	0	0	111	W478 A479 V480 I481 L493 L538 Q567 V569	W478-L540 HydrophobicContact CZ3-CB 4.03Å; W478-L540 HydrophobicContact CZ3-CD1 4.3Å; A479-L540 PolarHBondContact O-N 2.85Å; V480-L540 CarbonylContact C-O 3.4Å; V480-L540 VanDerWaalsContact CA-O 3.29Å; V480-L540 WeakPolarHBondContact CA-O 3.4Å; V480-L540 HydrophobicContact CG2-CB 4.3Å; I481-L540 PolarHBondContact N-O 3.34Å; L493-L540 HydrophobicContact CD2-CD2 4.38Å; L538-L540 HydrophobicContact CD2-CB 4.4Å; L540-Q567 WeakPolarHBondContact CA-O 3.35Å; L540-Q567 HydrophobicContact CB-CB 4.2Å; L540-Q567 HydrophobicContact CD1-CB 4.23Å; L540-Q567 HydrophobicContact CD1-CG 4.06Å; L540-Q567 HydrophobicContact CG-CB 4.03Å; L540-Q567 HydrophobicContact CG-CG 4.17Å; L540-V569 HydrophobicContact CD1-CG2 4.33Å; L540-V569 HydrophobicContact CD2-CG2 4.38Å; L540-V569 HydrophobicContact CG-CG2 4.41Å
541	C	98.6	Very high	95.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.1	176.3	-56.1	0	0	0	0	110.9	I481 Y524 V543 I554 Q567 V568 V569	I481-C541 WeakPolarHBondContact O-CA 3.41Å; Y524-C541 HydrophobicContact CD1-CB 4.28Å; Y524-C541 HydrophobicContact CE1-CB 4.33Å; C541-V543 HydrophobicContact CB-CG1 4.45Å; C541-I554 HydrophobicContact CB-CD1 4.11Å; C541-Q567 PolarHBondContact N-O 3.25Å; C541-V568 WeakPolarHBondContact O-CA 3.43Å; C541-V569 PolarHBondContact O-N 3.02Å
542	L	98.4	Very high	95.8	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	107.5	171.5	177.7	62.9	0	0	0	109.2	I481 A482 P483 N486 L490 L493 Y524 V569 T574	I481-L542 PolarHBondContact O-N 3.32Å; A482-L542 HydrophobicContact CB-CB 4.03Å; A482-L542 HydrophobicContact CB-CD2 4.34Å; P483-L542 WeakPolarHBondContact CD-O 3.47Å; N486-L542 HydrophobicContact CB-CD2 4.34Å; L490-L542 HydrophobicContact CB-CD2 3.81Å; L490-L542 HydrophobicContact CD1-CD2 4.34Å; L493-L542 HydrophobicContact CD2-CD1 4.38Å; Y524-L542 PolarHBondContact OH-O 3.28Å; Y524-L542 VanDerWaalsContact OH-O 3.06Å; L542-V569 HydrophobicContact CD1-CB 4.39Å; L542-V569 HydrophobicContact CD1-CG1 4.4Å; L542-T574 HydrophobicContact CD1-CG2 3.86Å
543	V	97.6	Very high	96	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.055	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.5	-175.8	-60.4	0	0	0	0	112.2	Y524 C541 N545 I554 V568 V569 T570 L571	Y524-V543 HydrophobicContact CE1-CG1 4.1Å; C541-V543 HydrophobicContact CB-CG1 4.45Å; V543-N545 PolarHBondContact O-N 2.68Å; 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 3.49Å; V543-T570 HydrophobicContact CG2-CG2 4.1Å; V543-T570 CarbonylContact O-C 3.59Å; V543-T570 WeakPolarHBondContact O-CA 3.43Å; V543-L571 PolarHBondContact O-N 2.8Å
544	P	95.2	Very high	96.2	Very high	26 Å²	26	40.7 Å²	40.7	17%	0.169	23%	0.225	C	C	.	.	S	Bend	trans	-71.8	-32	-172.7	25.7	-33.3	0	0	0	113.8	D519	D519-P544 HydrophobicContact CB-CG 3.89Å; D519-P544 VanDerWaalsContact OD2-CG 3.25Å; D519-P544 WeakPolarHBondContact OD2-CG 3.37Å
545	N	93.4	Very high	96.5	Very high	84 Å²	84	39.1 Å²	39.1	45%	0.449	21%	0.213	S	C	.	.	S	Bend	trans	-145.5	166.8	-176.7	60.2	-0.9	0	0	0	111.9	V543 N547 R550	V543-N545 PolarHBondContact O-N 2.68Å; N545-N547 PolarHBondContact O-N 3.44Å; N545-R550 PolarHBondContact OD1-NH1 3.5Å
546	D	91.8	Very high	96.6	Very high	151 Å²	151	37 Å²	37	81%	0.807	20%	0.199	S	C	*	.			trans	-78.8	63.7	179.6	-161.1	4.1	0	0	0	111.1
547	N	93.6	Very high	96.6	Very high	51 Å²	51	40.8 Å²	40.8	27%	0.273	21%	0.212	S	C	.	.			trans	-90.6	110.8	178.2	179.6	-35.6	0	0	0	109.9	N545 E549 R550 Y551	N545-N547 PolarHBondContact O-N 3.44Å; N547-E549 PolarHBondContact O-N 3.01Å; N547-E549 WeakPolarHBondContact OD1-CA 3.32Å; N547-E549 WeakPolarHBondContact OD1-CB 3.4Å; N547-E549 PolarHBondContact OD1-N 3.48Å; N547-R550 HydrophobicContact CB-CB 4.19Å; N547-R550 PolarHBondContact O-N 3.06Å; N547-R550 PolarHBondContact OD1-N 2.92Å; N547-Y551 WeakPolarHBondContact O-CB 3.26Å; N547-Y551 PolarHBondContact O-N 2.73Å
548	A	90.8	Very high	96.6	Very high	65 Å²	65	37.8 Å²	37.8	54%	0.537	20%	0.199	S	C	.	.	H	α-helix	trans	-65.1	-31.4	-178.4	0	0	0	0	0	114.2	S552	A548-S552 VanDerWaalsContact O-CB 3.26Å; A548-S552 WeakPolarHBondContact O-CB 3.4Å; A548-S552 PolarHBondContact O-N 2.82Å; A548-S552 PolarHBondContact O-OG 3.13Å
549	E	93	Very high	96.6	Very high	117 Å²	117	37.8 Å²	37.8	55%	0.547	20%	0.199	S	C	.	.	H	α-helix	trans	-68.8	-49.8	176.7	-176.9	-135.9	113.9	0	0	110.6	T521 N547 Y551 S552 S553	T521-E549 WeakPolarHBondContact CB-OE1 3.18Å; T521-E549 PolarHBondContact OG1-OE1 3.49Å; N547-E549 PolarHBondContact O-N 3.01Å; N547-E549 WeakPolarHBondContact OD1-CA 3.32Å; N547-E549 WeakPolarHBondContact OD1-CB 3.4Å; N547-E549 PolarHBondContact OD1-N 3.48Å; E549-Y551 VanDerWaalsContact C-N 3.34Å; E549-Y551 PolarHBondContact O-N 2.83Å; E549-S552 PolarHBondContact O-N 3.36Å; E549-S553 PolarHBondContact O-N 3.47Å; E549-S553 PolarHBondContact O-OG 2.91Å
550	R	97.1	Very high	96.5	Very high	12 Å²	12	38.7 Å²	38.7	5%	0.045	21%	0.205	C	C	.	.	H	α-helix	trans	-59.6	-45.4	176.4	-168.6	-165.9	-69.2	116.6	-6.8	111	D519 Y524 N545 N547 S552 S553 I554	D519-R550 PolarHBondContact O-NE 3.4Å; D519-R550 PolarHBondContact O-NH2 2.89Å; D519-R550 IonicContact OD2-NH2 2.69Å; D519-R550 PolarHBondContact OD2-NH2 3.07Å; Y524-R550 HydrophobicContact CD2-CG 4.25Å; Y524-R550 HydrophobicContact CE2-CG 4.5Å; N545-R550 PolarHBondContact OD1-NH1 3.5Å; N547-R550 HydrophobicContact CB-CB 4.19Å; N547-R550 PolarHBondContact O-N 3.06Å; N547-R550 PolarHBondContact OD1-N 2.92Å; R550-S552 PolarHBondContact O-N 3.26Å; R550-S553 PolarHBondContact O-N 2.77Å; R550-I554 HydrophobicContact CG-CD1 4.04Å; R550-I554 WeakPolarHBondContact O-CG1 3.05Å; R550-I554 PolarHBondContact O-N 3.21Å
551	Y	97.9	Very high	96.4	Very high	60 Å²	60	41 Å²	41	24%	0.235	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-46.4	175.3	175.9	-92.9	0	0	0	112	N547 E549 I554 K555 V568 L823 N827	N547-Y551 WeakPolarHBondContact O-CB 3.26Å; N547-Y551 PolarHBondContact O-N 2.73Å; E549-Y551 VanDerWaalsContact C-N 3.34Å; E549-Y551 PolarHBondContact O-N 2.83Å; Y551-I554 PolarHBondContact O-N 2.71Å; Y551-K555 HydrophobicContact CD1-CG 4.17Å; Y551-K555 HydrophobicContact CD2-CG 4.42Å; Y551-K555 HydrophobicContact CE1-CG 3.79Å; Y551-K555 HydrophobicContact CE2-CD 4.45Å; Y551-K555 HydrophobicContact CE2-CG 4.07Å; Y551-K555 HydrophobicContact CG-CG 4.47Å; Y551-K555 WeakPolarHBondContact O-CB 3.41Å; Y551-K555 VanDerWaalsContact O-CG 3.23Å; Y551-K555 WeakPolarHBondContact O-CG 3.46Å; Y551-K555 PolarHBondContact O-N 2.83Å; Y551-V568 HydrophobicContact CD2-CB 4.29Å; Y551-V568 HydrophobicContact CD2-CG1 4.27Å; Y551-V568 HydrophobicContact CD2-CG2 4.1Å; Y551-V568 HydrophobicContact CE2-CB 4.34Å; Y551-V568 HydrophobicContact CE2-CG2 4.19Å; Y551-L823 HydrophobicContact CE1-CD1 4.22Å; Y551-N827 HydrophobicContact CE1-CB 4.37Å
552	S	97.4	Very high	96.3	Very high	23 Å²	23	46.3 Å²	46.3	16%	0.161	24%	0.238	C	C	.	.	H	α-helix	trans	-64.6	-42.9	-178.8	-58.5	0	0	0	0	111.9	A548 E549 R550 K555 K556 N827	A548-S552 VanDerWaalsContact O-CB 3.26Å; A548-S552 WeakPolarHBondContact O-CB 3.4Å; A548-S552 PolarHBondContact O-N 2.82Å; A548-S552 PolarHBondContact O-OG 3.13Å; E549-S552 PolarHBondContact O-N 3.36Å; R550-S552 PolarHBondContact O-N 3.26Å; S552-K555 PolarHBondContact O-N 3.13Å; S552-K556 WeakPolarHBondContact O-CB 3.05Å; S552-K556 PolarHBondContact O-N 3.06Å; S552-N827 WeakPolarHBondContact CB-O 3.49Å; S552-N827 PolarHBondContact OG-ND2 3.14Å
553	S	98.1	Very high	96.2	Very high	39 Å²	39	48.1 Å²	48.1	27%	0.273	25%	0.253	S	S	.	.	H	α-helix	trans	-64.5	-44.3	176.7	-66.8	0	0	0	0	112.8	T521 E549 R550 K555 K556 R557	T521-S553 WeakPolarHBondContact CG2-OG 3.5Å; E549-S553 PolarHBondContact O-N 3.47Å; E549-S553 PolarHBondContact O-OG 2.91Å; R550-S553 PolarHBondContact O-N 2.77Å; S553-K555 VanDerWaalsContact C-N 3.31Å; S553-K555 PolarHBondContact O-N 3.09Å; S553-K556 PolarHBondContact O-N 3.03Å; S553-R557 WeakPolarHBondContact O-CB 3.49Å; S553-R557 WeakPolarHBondContact O-CG 3.35Å; S553-R557 PolarHBondContact O-N 3.16Å
554	I	98.4	Very high	96.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-45	172.9	-72.9	168.3	0	0	0	110.5	Y524 M528 C541 V543 R550 Y551 G558 V568	Y524-I554 HydrophobicContact CD1-CD1 3.96Å; Y524-I554 HydrophobicContact CG-CD1 4.06Å; M528-I554 HydrophobicContact CE-CG2 4.5Å; M528-I554 WeakPolarHBondContact CE-O 3.32Å; M528-I554 HydrophobicContact SD-CB 4.24Å; M528-I554 HydrophobicContact SD-CG1 4.23Å; M528-I554 HydrophobicContact SD-CG2 3.89Å; C541-I554 HydrophobicContact CB-CD1 4.11Å; V543-I554 HydrophobicContact CG1-CD1 4.09Å; R550-I554 HydrophobicContact CG-CD1 4.04Å; R550-I554 WeakPolarHBondContact O-CG1 3.05Å; R550-I554 PolarHBondContact O-N 3.21Å; Y551-I554 PolarHBondContact O-N 2.71Å; I554-G558 PolarHBondContact O-N 3.47Å; I554-V568 HydrophobicContact CG2-CG2 4.12Å
555	K	98.3	Very high	96.4	Very high	3 Å²	3	47.3 Å²	47.3	1%	0.013	25%	0.247	C	C	.	.	H	α-helix	trans	-69	-38.6	-179.2	-71.4	-72.2	167.2	-158.3	0	112.9	Y551 S552 S553 Y559 T566 L823 L828	Y551-K555 HydrophobicContact CD1-CG 4.17Å; Y551-K555 HydrophobicContact CD2-CG 4.42Å; Y551-K555 HydrophobicContact CE1-CG 3.79Å; Y551-K555 HydrophobicContact CE2-CD 4.45Å; Y551-K555 HydrophobicContact CE2-CG 4.07Å; Y551-K555 HydrophobicContact CG-CG 4.47Å; Y551-K555 WeakPolarHBondContact O-CB 3.41Å; Y551-K555 VanDerWaalsContact O-CG 3.23Å; Y551-K555 WeakPolarHBondContact O-CG 3.46Å; Y551-K555 PolarHBondContact O-N 2.83Å; S552-K555 PolarHBondContact O-N 3.13Å; S553-K555 VanDerWaalsContact C-N 3.31Å; S553-K555 PolarHBondContact O-N 3.09Å; K555-Y559 HydrophobicContact CD-CD2 4.2Å; K555-Y559 HydrophobicContact CD-CE2 3.53Å; K555-Y559 PolarHBondContact NZ-OH 3.37Å; K555-Y559 WeakPolarHBondContact O-CB 3.49Å; K555-Y559 PolarHBondContact O-N 2.78Å; K555-Y559 VanDerWaalsContact O-N 3.08Å; K555-T566 PolarHBondContact NZ-O 3.11Å; K555-T566 PolarHBondContact NZ-OG1 2.86Å; K555-L823 HydrophobicContact CD-CD1 4.48Å; K555-L823 HydrophobicContact CG-CD1 4.44Å; K555-L828 VanDerWaalsContact C-CD2 3.47Å; K555-L828 HydrophobicContact CB-CD2 3.71Å; K555-L828 WeakPolarHBondContact O-CD2 3.3Å
556	K	97.6	Very high	96.6	Very high	61 Å²	61	43.3 Å²	43.3	27%	0.265	23%	0.226	S	C	.	.	H	α-helix	trans	-65.7	-48.5	176.3	-173	168	178.9	146	0	111.7	S552 S553 G558 Y559 V560 D561 L828 S830	S552-K556 WeakPolarHBondContact O-CB 3.05Å; S552-K556 PolarHBondContact O-N 3.06Å; S553-K556 PolarHBondContact O-N 3.03Å; K556-G558 VanDerWaalsContact C-N 3.33Å; K556-G558 PolarHBondContact O-N 3.37Å; K556-Y559 PolarHBondContact O-N 2.95Å; K556-V560 HydrophobicContact CG-CB 4.01Å; K556-V560 HydrophobicContact CG-CG2 4.16Å; K556-V560 WeakPolarHBondContact O-CB 3.49Å; K556-V560 PolarHBondContact O-N 3.42Å; K556-D561 PolarHBondContact O-N 3.05Å; K556-L828 HydrophobicContact CB-CD2 4.46Å; K556-S830 PolarHBondContact NZ-OG 3.48Å
557	R	98	Very high	96.9	Very high	87 Å²	87	36.5 Å²	36.5	33%	0.328	19%	0.189	S	C	.	.	H	α-helix	trans	-60.2	-41.8	176.3	-73.6	-75	-175.9	-85.8	1.1	112.5	V525 M528 D529 S553 D561 R562	V525-R557 HydrophobicContact CG1-CG 3.9Å; V525-R557 HydrophobicContact CG2-CG 4.05Å; M528-R557 HydrophobicContact CE-CB 4.22Å; D529-R557 IonicContact OD2-NE 2.73Å; S553-R557 WeakPolarHBondContact O-CB 3.49Å; S553-R557 WeakPolarHBondContact O-CG 3.35Å; S553-R557 PolarHBondContact O-N 3.16Å; R557-D561 VanDerWaalsContact CA-OD2 3.28Å; R557-D561 WeakPolarHBondContact CA-OD2 3.35Å; R557-D561 WeakPolarHBondContact CD-OD2 3.33Å; R557-D561 IonicContact CZ-OD2 2.71Å; R557-D561 PolarHBondContact N-OD2 3.39Å; R557-D561 IonicContact NE-OD2 3.92Å; R557-D561 IonicContact NH1-OD1 3.64Å; R557-D561 IonicContact NH1-OD2 2.66Å; R557-D561 PolarHBondContact NH1-OD2 3.01Å; R557-R562 VanDerWaalsContact O-CB 3.22Å; R557-R562 WeakPolarHBondContact O-CB 3.37Å; R557-R562 WeakPolarHBondContact O-CG 3.15Å; R557-R562 PolarHBondContact O-N 2.78Å
558	G	97.6	Very high	97.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-36.7	178.2	0	0	0	0	0	115	I554 K556 R562 V564	I554-G558 PolarHBondContact O-N 3.47Å; K556-G558 VanDerWaalsContact C-N 3.33Å; K556-G558 PolarHBondContact O-N 3.37Å; G558-R562 CarbonylContact C-O 3.48Å; G558-R562 CarbonylContact O-C 3.59Å; G558-V564 PolarHBondContact O-N 2.95Å
559	Y	98.2	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-117.8	-18.8	-164.4	-57.5	-16.9	0	0	0	116.2	K555 K556 R562 V564 T566 L823 L828 P832 Q833 L836 Y841	K555-Y559 HydrophobicContact CD-CD2 4.2Å; K555-Y559 HydrophobicContact CD-CE2 3.53Å; K555-Y559 PolarHBondContact NZ-OH 3.37Å; K555-Y559 WeakPolarHBondContact O-CB 3.49Å; K555-Y559 PolarHBondContact O-N 2.78Å; K555-Y559 VanDerWaalsContact O-N 3.08Å; K556-Y559 PolarHBondContact O-N 2.95Å; Y559-R562 CarbonylContact C-O 3.43Å; Y559-R562 WeakPolarHBondContact CA-O 3.39Å; Y559-V564 WeakPolarHBondContact CD1-O 3.13Å; Y559-V564 VanDerWaalsContact CE1-O 3.3Å; Y559-V564 WeakPolarHBondContact CE1-O 3.44Å; Y559-T566 HydrophobicContact CE1-CG2 4.35Å; Y559-T566 VanDerWaalsContact CE1-OG1 3.31Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.13Å; Y559-T566 VanDerWaalsContact CZ-OG1 3.3Å; Y559-T566 PolarHBondContact OH-N 3.32Å; Y559-T566 PolarHBondContact OH-O 3.19Å; Y559-T566 PolarHBondContact OH-OG1 3.37Å; Y559-L823 HydrophobicContact CD2-CD2 4.21Å; Y559-L823 HydrophobicContact CE2-CD2 4.02Å; Y559-L828 HydrophobicContact CD2-CD1 4.45Å; Y559-L828 HydrophobicContact CD2-CD2 4.48Å; Y559-P832 CarbonylContact O-C 3.56Å; Y559-P832 VanDerWaalsContact O-CA 3.26Å; Y559-P832 WeakPolarHBondContact O-CA 3.49Å; Y559-Q833 PolarHBondContact O-N 2.82Å; Y559-L836 HydrophobicContact CD1-CD1 3.92Å; Y559-L836 HydrophobicContact CG-CD1 4.21Å; Y559-Y841 HydrophobicContact CD1-CD2 4.38Å; Y559-Y841 AromaticContact CD2-CD2 3.74Å; Y559-Y841 HydrophobicContact CD2-CD2 3.74Å; Y559-Y841 HydrophobicContact CD2-CE2 4.31Å; Y559-Y841 AromaticContact CE2-CD2 3.84Å; Y559-Y841 HydrophobicContact CE2-CD2 3.84Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.22Å; Y559-Y841 HydrophobicContact CG-CD2 4.02Å; Y559-Y841 VanDerWaalsContact CZ-O 3.24Å; Y559-Y841 PolarHBondContact OH-O 3.09Å
560	V	97.5	Very high	97.7	Very high	20 Å²	20	28.9 Å²	28.9	12%	0.121	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-50.9	-178.7	-179.8	0	0	0	0	109.6	K556 R562 L828 Q833	K556-V560 HydrophobicContact CG-CB 4.01Å; K556-V560 HydrophobicContact CG-CG2 4.16Å; K556-V560 WeakPolarHBondContact O-CB 3.49Å; K556-V560 PolarHBondContact O-N 3.42Å; V560-R562 VanDerWaalsContact C-N 3.34Å; V560-R562 PolarHBondContact N-O 2.94Å; V560-L828 HydrophobicContact CG2-CB 4.12Å; V560-L828 HydrophobicContact CG2-CD1 4.24Å; V560-L828 HydrophobicContact CG2-CD2 4.45Å; V560-Q833 WeakPolarHBondContact O-CG 3.33Å; V560-Q833 PolarHBondContact O-NE2 2.85Å
561	D	96.3	Very high	97.7	Very high	50 Å²	50	29.6 Å²	29.6	27%	0.267	15%	0.15	S	C	.	.	S	Bend	trans	-81.8	-18.3	-179.5	-43.2	-56.6	0	0	0	112	K556 R557	K556-D561 PolarHBondContact O-N 3.05Å; R557-D561 VanDerWaalsContact CA-OD2 3.28Å; R557-D561 WeakPolarHBondContact CA-OD2 3.35Å; R557-D561 WeakPolarHBondContact CD-OD2 3.33Å; R557-D561 IonicContact CZ-OD2 2.71Å; R557-D561 PolarHBondContact N-OD2 3.39Å; R557-D561 IonicContact NE-OD2 3.92Å; R557-D561 IonicContact NH1-OD1 3.64Å; R557-D561 IonicContact NH1-OD2 2.66Å; R557-D561 PolarHBondContact NH1-OD2 3.01Å
562	R	95.3	Very high	97.5	Very high	111 Å²	111	35.4 Å²	35.4	42%	0.419	18%	0.177	S	C	.	.	S	Bend	trans	-141.4	177.5	175.7	-48.6	-67.7	169.5	-127.3	9.2	109.3	D529 V532 R557 G558 Y559 V560 Q833	D529-R562 IonicContact OD1-CZ 3.99Å; D529-R562 IonicContact OD1-NE 2.69Å; D529-R562 PolarHBondContact OD1-NE 3.12Å; D529-R562 IonicContact OD1-NH2 2.65Å; D529-R562 PolarHBondContact OD1-NH2 2.66Å; V532-R562 HydrophobicContact CG2-CG 4.39Å; R557-R562 VanDerWaalsContact O-CB 3.22Å; R557-R562 WeakPolarHBondContact O-CB 3.37Å; R557-R562 WeakPolarHBondContact O-CG 3.15Å; R557-R562 PolarHBondContact O-N 2.78Å; G558-R562 CarbonylContact C-O 3.48Å; G558-R562 CarbonylContact O-C 3.59Å; Y559-R562 CarbonylContact C-O 3.43Å; Y559-R562 WeakPolarHBondContact CA-O 3.39Å; V560-R562 VanDerWaalsContact C-N 3.34Å; V560-R562 PolarHBondContact N-O 2.94Å; R562-Q833 WeakPolarHBondContact O-CG 3.29Å
563	A	97.5	Very high	97.4	Very high	39 Å²	39	35.8 Å²	35.8	32%	0.322	18%	0.178	S	C	.	.			trans	-123.1	42.6	179.9	0	0	0	0	0	113.1	Q833 A835 L836	A563-Q833 HydrophobicContact CB-CB 3.89Å; A563-Q833 HydrophobicContact CB-CG 4.34Å; A563-A835 HydrophobicContact CB-CB 3.98Å; A563-L836 HydrophobicContact CB-CG 4.31Å; A563-L836 WeakPolarHBondContact O-CD2 3.3Å
564	V	97.9	Very high	97	Very high	16 Å²	16	34.4 Å²	34.4	10%	0.097	17%	0.168	C	C	.	.			trans	-110.6	122.4	-173.7	178.3	0	0	0	0	111.3	V532 P536 I539 G558 Y559 T566	V532-V564 HydrophobicContact CG1-CG2 4.45Å; V532-V564 HydrophobicContact CG2-CG2 4.09Å; P536-V564 HydrophobicContact CG-CG1 4.36Å; I539-V564 HydrophobicContact CD1-CG1 3.92Å; I539-V564 HydrophobicContact CG1-CG1 3.88Å; G558-V564 PolarHBondContact O-N 2.95Å; Y559-V564 WeakPolarHBondContact CD1-O 3.13Å; Y559-V564 VanDerWaalsContact CE1-O 3.3Å; Y559-V564 WeakPolarHBondContact CE1-O 3.44Å; V564-T566 PolarHBondContact O-N 2.89Å
565	P	98.3	Very high	96.7	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.019	20%	0.196	C	C	.	.			trans	-57.6	134.6	174.2	-24.2	34.2	0	0	0	112.3	L538 I539 K593 L836 K839	L538-P565 WeakPolarHBondContact CA-O 3.17Å; L538-P565 HydrophobicContact CD1-CB 4.29Å; I539-P565 PolarHBondContact N-O 3.28Å; P565-K593 HydrophobicContact CB-CB 4.07Å; P565-K593 WeakPolarHBondContact CG-O 3.25Å; P565-L836 HydrophobicContact CG-CD2 4.12Å; P565-K839 HydrophobicContact CG-CD 4.08Å
566	T	98.6	Very high	96.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.9	-178.5	54.6	0	0	0	0	112.8	M528 I539 K555 Y559 V564 K593	M528-T566 HydrophobicContact CE-CG2 3.85Å; I539-T566 HydrophobicContact CB-CG2 4.35Å; I539-T566 CarbonylContact O-C 3.22Å; I539-T566 VanDerWaalsContact O-CA 3.24Å; I539-T566 WeakPolarHBondContact O-CA 3.49Å; K555-T566 PolarHBondContact NZ-O 3.11Å; K555-T566 PolarHBondContact NZ-OG1 2.86Å; Y559-T566 HydrophobicContact CE1-CG2 4.35Å; Y559-T566 VanDerWaalsContact CE1-OG1 3.31Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.13Å; Y559-T566 VanDerWaalsContact CZ-OG1 3.3Å; Y559-T566 PolarHBondContact OH-N 3.32Å; Y559-T566 PolarHBondContact OH-O 3.19Å; Y559-T566 PolarHBondContact OH-OG1 3.37Å; V564-T566 PolarHBondContact O-N 2.89Å; T566-K593 PolarHBondContact O-NZ 2.95Å
567	Q	98.6	Very high	96.1	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	144	165.4	-171.9	62.1	15	0	0	109.6	L538 I539 L540 C541 V569 I586 Q589 L590	L538-Q567 HydrophobicContact CD2-CB 4.3Å; I539-Q567 PolarHBondContact O-N 2.91Å; L540-Q567 WeakPolarHBondContact CA-O 3.35Å; L540-Q567 HydrophobicContact CB-CB 4.2Å; L540-Q567 HydrophobicContact CD1-CB 4.23Å; L540-Q567 HydrophobicContact CD1-CG 4.06Å; L540-Q567 HydrophobicContact CG-CB 4.03Å; L540-Q567 HydrophobicContact CG-CG 4.17Å; C541-Q567 PolarHBondContact N-O 3.25Å; Q567-V569 HydrophobicContact CG-CG2 4.16Å; Q567-I586 HydrophobicContact CG-CG2 4.27Å; Q567-Q589 VanDerWaalsContact OE1-CD 3.32Å; Q567-L590 HydrophobicContact CB-CD2 3.78Å; Q567-L590 HydrophobicContact CG-CD2 3.93Å
568	V	98.6	Very high	95.9	Very high	29 Å²	29	52.6 Å²	52.6	18%	0.176	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.8	170.7	-178.4	0	0	0	0	107.4	C541 V543 Y551 I554	C541-V568 WeakPolarHBondContact O-CA 3.43Å; 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 4.29Å; Y551-V568 HydrophobicContact CD2-CG1 4.27Å; Y551-V568 HydrophobicContact CD2-CG2 4.1Å; Y551-V568 HydrophobicContact CE2-CB 4.34Å; Y551-V568 HydrophobicContact CE2-CG2 4.19Å; I554-V568 HydrophobicContact CG2-CG2 4.12Å
569	V	98.3	Very high	95.7	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132	176.8	-176.8	0	0	0	0	108.2	L493 L540 C541 L542 V543 Q567 T573 T574 I586	L493-V569 HydrophobicContact CD1-CG1 4.36Å; L493-V569 HydrophobicContact CD2-CB 4.09Å; L493-V569 HydrophobicContact CD2-CG1 3.87Å; L493-V569 HydrophobicContact CD2-CG2 4.18Å; L540-V569 HydrophobicContact CD1-CG2 4.33Å; L540-V569 HydrophobicContact CD2-CG2 4.38Å; L540-V569 HydrophobicContact CG-CG2 4.41Å; C541-V569 PolarHBondContact O-N 3.02Å; L542-V569 HydrophobicContact CD1-CB 4.39Å; L542-V569 HydrophobicContact CD1-CG1 4.4Å; V543-V569 PolarHBondContact N-O 3.49Å; Q567-V569 HydrophobicContact CG-CG2 4.16Å; V569-T573 HydrophobicContact CG1-CG2 4.1Å; V569-T574 HydrophobicContact CG1-CG2 4.46Å; V569-I586 HydrophobicContact CG2-CD1 4.03Å
570	T	97.1	Very high	95.4	Very high	39 Å²	39	57.2 Å²	57.2	24%	0.239	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	143.9	176.2	57	0	0	0	0	110.6	V543 K572 T573	V543-T570 HydrophobicContact CG2-CG2 4.1Å; V543-T570 CarbonylContact O-C 3.59Å; V543-T570 WeakPolarHBondContact O-CA 3.43Å; T570-K572 PolarHBondContact O-N 3.08Å; T570-K572 VanDerWaalsContact O-N 3.13Å; T570-T573 WeakPolarHBondContact O-CA 3.46Å; T570-T573 WeakPolarHBondContact O-CB 3.26Å; T570-T573 PolarHBondContact O-N 2.81Å; T570-T573 PolarHBondContact O-OG1 3.02Å; T570-T573 PolarHBondContact OG1-OG1 2.89Å
571	L	95.7	Very high	95.2	Very high	26 Å²	26	58.4 Å²	58.4	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-58.4	-26.9	179.2	-174.2	66.6	0	0	0	113.6	N486 E489 V543 T573 T574	N486-L571 HydrophobicContact CB-CD1 4.3Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.24Å; E489-L571 HydrophobicContact CB-CD1 3.75Å; E489-L571 HydrophobicContact CG-CD1 3.79Å; V543-L571 PolarHBondContact O-N 2.8Å; L571-T573 PolarHBondContact O-N 2.99Å; L571-T574 PolarHBondContact O-N 3.29Å; L571-T574 PolarHBondContact O-OG1 2.81Å
572	K	94.6	Very high	95.1	Very high	183 Å²	183	58.1 Å²	58.1	80%	0.796	28%	0.284	S	S	*	.	H	α-helix	trans	-62.7	-23.1	171	-173.9	172.2	-179.6	175.9	0	113.1	T570	T570-K572 PolarHBondContact O-N 3.08Å; T570-K572 VanDerWaalsContact O-N 3.13Å
573	T	94.3	Very high	95.2	Very high	31 Å²	31	52.8 Å²	52.8	19%	0.19	26%	0.264	C	S	.	.	H	α-helix	trans	-77.1	-39.4	-179.6	-56.2	0	0	0	0	111.9	V569 T570 L571 K575 N576 I582	V569-T573 HydrophobicContact CG1-CG2 4.1Å; T570-T573 WeakPolarHBondContact O-CA 3.46Å; T570-T573 WeakPolarHBondContact O-CB 3.26Å; T570-T573 PolarHBondContact O-N 2.81Å; T570-T573 PolarHBondContact O-OG1 3.02Å; T570-T573 PolarHBondContact OG1-OG1 2.89Å; L571-T573 PolarHBondContact O-N 2.99Å; T573-K575 VanDerWaalsContact C-N 3.31Å; T573-K575 PolarHBondContact O-N 2.76Å; T573-N576 WeakPolarHBondContact O-CB 3.35Å; T573-N576 PolarHBondContact O-N 3.38Å; T573-I582 HydrophobicContact CG2-CD1 4.18Å; T573-I582 HydrophobicContact CG2-CG2 3.66Å
574	T	91.3	Very high	95	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.055	26%	0.259	C	S	.	.	H	α-helix	trans	-68.4	-31.8	-179.5	62.8	0	0	0	0	111.9	E489 L493 L542 V569 L571 N576	E489-T574 WeakPolarHBondContact CB-OG1 3.34Å; L493-T574 HydrophobicContact CB-CG2 3.84Å; L493-T574 HydrophobicContact CD1-CG2 4.37Å; L493-T574 HydrophobicContact CD2-CG2 3.98Å; L493-T574 HydrophobicContact CG-CG2 4.28Å; L542-T574 HydrophobicContact CD1-CG2 3.86Å; V569-T574 HydrophobicContact CG1-CG2 4.46Å; L571-T574 PolarHBondContact O-N 3.29Å; L571-T574 PolarHBondContact O-OG1 2.81Å; T574-N576 PolarHBondContact O-N 2.92Å
575	K	90.5	Very high	95	Very high	138 Å²	138	55.7 Å²	55.7	60%	0.6	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	16	177	-53.6	-167.6	-178.6	-165.4	0	114.2	E489 T573	E489-K575 HydrophobicContact CG-CG 4.47Å; E489-K575 WeakPolarHBondContact OE1-CE 3.36Å; E489-K575 IonicContact OE1-NZ 3.59Å; E489-K575 PolarHBondContact OE1-NZ 2.99Å; T573-K575 VanDerWaalsContact C-N 3.31Å; T573-K575 PolarHBondContact O-N 2.76Å
576	N	93.1	Very high	94.9	Very high	71 Å²	71	56 Å²	56	38%	0.38	27%	0.273	S	S	.	.			trans	-90.9	129.4	-176.9	-168.6	-43.4	0	0	0	111.6	T573 T574 S578 L579 I582	T573-N576 WeakPolarHBondContact O-CB 3.35Å; T573-N576 PolarHBondContact O-N 3.38Å; T574-N576 PolarHBondContact O-N 2.92Å; N576-S578 PolarHBondContact O-N 3.37Å; N576-S578 PolarHBondContact OD1-N 2.9Å; N576-L579 WeakPolarHBondContact O-CB 3.48Å; N576-L579 PolarHBondContact O-N 2.93Å; N576-I582 HydrophobicContact CB-CD1 3.95Å
577	R	91.1	Very high	94.9	Very high	257 Å²	257	56 Å²	56	97%	0.97	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-26.3	177.2	-65.8	-174.7	-179.8	-176.3	-0.8	113.9
578	S	92.8	Very high	94.8	Very high	68 Å²	68	56 Å²	56	48%	0.476	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	21.6	179.3	-57.3	0	0	0	0	113.9	N576 M580 S581 I582	N576-S578 PolarHBondContact O-N 3.37Å; N576-S578 PolarHBondContact OD1-N 2.9Å; S578-M580 VanDerWaalsContact C-N 3.28Å; S578-M580 PolarHBondContact O-N 3.46Å; S578-M580 VanDerWaalsContact O-N 3.11Å; S578-S581 PolarHBondContact O-N 2.81Å; S578-S581 PolarHBondContact O-OG 2.62Å; S578-I582 PolarHBondContact O-N 3.48Å
579	L	93.9	Very high	94.8	Very high	15 Å²	15	55.9 Å²	55.9	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-45.7	-45.6	-172.2	179.4	59.1	0	0	0	113.8	T492 L493 S496 N576 S581 I582 A583	T492-L579 HydrophobicContact CG2-CD2 3.95Å; L493-L579 HydrophobicContact CD1-CD1 4.2Å; S496-L579 VanDerWaalsContact OG-CD2 3.28Å; S496-L579 WeakPolarHBondContact OG-CD2 3.47Å; N576-L579 WeakPolarHBondContact O-CB 3.48Å; N576-L579 PolarHBondContact O-N 2.93Å; L579-S581 VanDerWaalsContact C-N 3.3Å; L579-S581 PolarHBondContact O-N 3.38Å; L579-I582 CarbonylContact O-C 3.09Å; L579-I582 WeakPolarHBondContact O-CA 3.47Å; L579-I582 WeakPolarHBondContact O-CB 3.47Å; L579-I582 PolarHBondContact O-N 2.85Å; L579-A583 PolarHBondContact O-N 2.87Å
580	M	92.9	Very high	94.8	Very high	83 Å²	83	55.7 Å²	55.7	41%	0.409	27%	0.269	S	S	.	.	H	α-helix	trans	-54.6	-43.2	-179.9	-169	58.8	59.3	0	0	112.7	R499 A500 S578 I582 A583 T584	R499-M580 HydrophobicContact CB-CE 4.19Å; R499-M580 HydrophobicContact CB-SD 4.26Å; A500-M580 HydrophobicContact CB-SD 4.07Å; S578-M580 VanDerWaalsContact C-N 3.28Å; S578-M580 PolarHBondContact O-N 3.46Å; S578-M580 VanDerWaalsContact O-N 3.11Å; M580-I582 PolarHBondContact O-N 3.36Å; M580-A583 WeakPolarHBondContact O-CB 3.1Å; M580-A583 PolarHBondContact O-N 2.95Å; M580-T584 PolarHBondContact O-N 2.99Å; M580-T584 PolarHBondContact O-OG1 2.72Å
581	S	92.6	Very high	94.8	Very high	46 Å²	46	53.8 Å²	53.8	32%	0.322	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-20.2	177.7	73.2	0	0	0	0	114	S578 L579	S578-S581 PolarHBondContact O-N 2.81Å; S578-S581 PolarHBondContact O-OG 2.62Å; L579-S581 VanDerWaalsContact C-N 3.3Å; L579-S581 PolarHBondContact O-N 3.38Å
582	I	94.9	Very high	95	Very high	43 Å²	43	52.6 Å²	52.6	22%	0.221	25%	0.251	C	S	.	.	H	α-helix	trans	-85.9	-39.7	174.5	-52.7	171.9	0	0	0	109.2	T573 N576 S578 L579 M580 T584 K585 I586	T573-I582 HydrophobicContact CG2-CD1 4.18Å; T573-I582 HydrophobicContact CG2-CG2 3.66Å; N576-I582 HydrophobicContact CB-CD1 3.95Å; S578-I582 PolarHBondContact O-N 3.48Å; L579-I582 CarbonylContact O-C 3.09Å; L579-I582 WeakPolarHBondContact O-CA 3.47Å; L579-I582 WeakPolarHBondContact O-CB 3.47Å; L579-I582 PolarHBondContact O-N 2.85Å; M580-I582 PolarHBondContact O-N 3.36Å; I582-T584 VanDerWaalsContact C-N 3.31Å; I582-T584 PolarHBondContact O-N 2.9Å; I582-K585 CarbonylContact O-C 3.43Å; I582-K585 WeakPolarHBondContact O-CA 3.2Å; I582-K585 PolarHBondContact O-N 2.94Å; I582-I586 HydrophobicContact CG2-CD1 4.12Å; I582-I586 HydrophobicContact CG2-CG1 4.45Å; I582-I586 WeakPolarHBondContact O-CG1 3.43Å; I582-I586 PolarHBondContact O-N 2.94Å
583	A	95.6	Very high	95.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-39	173	0	0	0	0	0	111.9	S496 A500 L579 M580 K585 I586 A587	S496-A583 WeakPolarHBondContact O-CB 3.36Å; A500-A583 HydrophobicContact CB-CB 4.02Å; L579-A583 PolarHBondContact O-N 2.87Å; M580-A583 WeakPolarHBondContact O-CB 3.1Å; M580-A583 PolarHBondContact O-N 2.95Å; A583-K585 PolarHBondContact O-N 2.83Å; A583-I586 PolarHBondContact O-N 3.49Å; A583-A587 WeakPolarHBondContact O-CB 3.33Å; A583-A587 PolarHBondContact O-N 3.13Å
584	T	95.2	Very high	95.3	Very high	33 Å²	33	43.3 Å²	43.3	20%	0.202	21%	0.209	C	C	.	.	H	α-helix	trans	-54.4	-49.4	168.4	-45.9	0	0	0	0	111.5	F462 M504 M580 I582 I586 A587 I588	F462-T584 HydrophobicContact CB-CG2 4.19Å; M504-T584 HydrophobicContact CE-CG2 3.99Å; M504-T584 WeakPolarHBondContact CE-O 3.2Å; M504-T584 HydrophobicContact SD-CG2 3.53Å; M504-T584 VanDerWaalsContact SD-CG2 3.53Å; M580-T584 PolarHBondContact O-N 2.99Å; M580-T584 PolarHBondContact O-OG1 2.72Å; I582-T584 VanDerWaalsContact C-N 3.31Å; I582-T584 PolarHBondContact O-N 2.9Å; T584-I586 PolarHBondContact O-N 3.05Å; T584-A587 PolarHBondContact O-N 2.82Å; T584-I588 HydrophobicContact CG2-CD1 4.32Å; T584-I588 WeakPolarHBondContact O-CG1 3Å; T584-I588 PolarHBondContact O-N 2.98Å
585	K	96.1	Very high	95.5	Very high	82 Å²	82	43.7 Å²	43.7	36%	0.357	21%	0.214	S	C	.	.	H	α-helix	trans	-68.5	-34.5	-179.7	-67.1	-176.8	-178.2	-169.7	0	112.8	I582 A583 Q589	I582-K585 CarbonylContact O-C 3.43Å; I582-K585 WeakPolarHBondContact O-CA 3.2Å; I582-K585 PolarHBondContact O-N 2.94Å; A583-K585 PolarHBondContact O-N 2.83Å; K585-Q589 WeakPolarHBondContact O-CB 3.25Å; K585-Q589 PolarHBondContact O-N 2.85Å
586	I	97.6	Very high	95.8	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-49.4	172	-67	166.8	0	0	0	109.5	L493 L497 Q567 V569 I582 A583 T584 I588 Q589 L590	L493-I586 HydrophobicContact CD1-CD1 4.19Å; L497-I586 HydrophobicContact CD1-CB 4.24Å; L497-I586 HydrophobicContact CD1-CG2 3.8Å; Q567-I586 HydrophobicContact CG-CG2 4.27Å; V569-I586 HydrophobicContact CG2-CD1 4.03Å; I582-I586 HydrophobicContact CG2-CD1 4.12Å; I582-I586 HydrophobicContact CG2-CG1 4.45Å; I582-I586 WeakPolarHBondContact O-CG1 3.43Å; I582-I586 PolarHBondContact O-N 2.94Å; A583-I586 PolarHBondContact O-N 3.49Å; T584-I586 PolarHBondContact O-N 3.05Å; I586-I588 VanDerWaalsContact C-N 3.35Å; I586-I588 PolarHBondContact O-N 3.47Å; I586-Q589 CarbonylContact O-C 3.5Å; I586-Q589 WeakPolarHBondContact O-CA 3.31Å; I586-Q589 WeakPolarHBondContact O-CB 3.35Å; I586-Q589 PolarHBondContact O-N 3.12Å; I586-L590 HydrophobicContact CG2-CD1 4.46Å; I586-L590 HydrophobicContact CG2-CD2 4.36Å; I586-L590 HydrophobicContact CG2-CG 4.18Å; I586-L590 WeakPolarHBondContact O-CG 3.43Å; I586-L590 PolarHBondContact O-N 3.02Å
587	A	97.3	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-38.8	179.2	0	0	0	0	0	113.2	L497 A501 M504 A583 T584 L590 N591	L497-A587 HydrophobicContact CD1-CB 3.96Å; A501-A587 HydrophobicContact CB-CB 3.81Å; M504-A587 HydrophobicContact CE-CB 3.46Å; M504-A587 VanDerWaalsContact CE-CB 3.46Å; A583-A587 WeakPolarHBondContact O-CB 3.33Å; A583-A587 PolarHBondContact O-N 3.13Å; T584-A587 PolarHBondContact O-N 2.82Å; A587-L590 PolarHBondContact O-N 3.35Å; A587-N591 PolarHBondContact O-N 2.97Å
588	I	97.6	Very high	96.3	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.036	14%	0.136	C	C	.	.	H	α-helix	trans	-57.1	-48.4	169.1	-70	167.8	0	0	0	110.4	F462 M467 M504 T584 I586 L590 N591 C592 P598 W599 Y802	F462-I588 HydrophobicContact CD1-CD1 3.7Å; F462-I588 HydrophobicContact CD1-CG1 4.39Å; F462-I588 HydrophobicContact CE1-CD1 3.81Å; F462-I588 HydrophobicContact CE1-CG1 4.47Å; F462-I588 HydrophobicContact CG-CD1 4.11Å; F462-I588 HydrophobicContact CZ-CD1 4.32Å; M467-I588 HydrophobicContact SD-CB 4.49Å; M467-I588 HydrophobicContact SD-CG1 4.04Å; M504-I588 HydrophobicContact CE-CG1 3.89Å; M504-I588 HydrophobicContact SD-CD1 3.98Å; M504-I588 HydrophobicContact SD-CG1 3.66Å; T584-I588 HydrophobicContact CG2-CD1 4.32Å; T584-I588 WeakPolarHBondContact O-CG1 3Å; T584-I588 PolarHBondContact O-N 2.98Å; I586-I588 VanDerWaalsContact C-N 3.35Å; I586-I588 PolarHBondContact O-N 3.47Å; I588-L590 PolarHBondContact O-N 3.2Å; I588-N591 PolarHBondContact O-N 3.42Å; I588-C592 PolarHBondContact O-N 2.9Å; I588-C592 VanDerWaalsContact O-N 3.09Å; I588-C592 PolarHBondContact O-SG 3.31Å; I588-P598 HydrophobicContact CG2-CB 4.02Å; I588-P598 HydrophobicContact CG2-CG 3.76Å; I588-W599 HydrophobicContact CG2-CZ3 4.22Å; I588-Y802 WeakPolarHBondContact CG2-O 3.17Å
589	Q	98.3	Very high	96.5	Very high	28 Å²	28	22.1 Å²	22.1	13%	0.131	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-34.4	178.3	-171.7	180	19	0	0	112.7	Q567 K585 I586 K593 L843	Q567-Q589 VanDerWaalsContact OE1-CD 3.32Å; K585-Q589 WeakPolarHBondContact O-CB 3.25Å; K585-Q589 PolarHBondContact O-N 2.85Å; I586-Q589 CarbonylContact O-C 3.5Å; I586-Q589 WeakPolarHBondContact O-CA 3.31Å; I586-Q589 WeakPolarHBondContact O-CB 3.35Å; I586-Q589 PolarHBondContact O-N 3.12Å; Q589-K593 HydrophobicContact CG-CD 4.36Å; Q589-K593 WeakPolarHBondContact O-CB 3.44Å; Q589-K593 VanDerWaalsContact O-CG 3.26Å; Q589-K593 WeakPolarHBondContact O-CG 3.39Å; Q589-K593 PolarHBondContact O-N 2.74Å; Q589-L843 HydrophobicContact CG-CB 4.25Å; Q589-L843 PolarHBondContact NE2-O 3.37Å; Q589-L843 PolarHBondContact NE2-OXT 3.29Å
590	L	98.4	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-46.8	173.3	-60.9	-170.1	0	0	0	110.8	L475 L497 L538 Q567 I586 A587 I588 C592 K593 L594	L475-L590 HydrophobicContact CD2-CD1 4.12Å; L497-L590 HydrophobicContact CD1-CD1 4.11Å; L497-L590 HydrophobicContact CD2-CD1 3.97Å; L538-L590 HydrophobicContact CD1-CB 4.48Å; L538-L590 HydrophobicContact CD1-CD2 3.68Å; L538-L590 HydrophobicContact CD2-CD2 3.81Å; L538-L590 HydrophobicContact CG-CD2 4.42Å; Q567-L590 HydrophobicContact CB-CD2 3.78Å; Q567-L590 HydrophobicContact CG-CD2 3.93Å; I586-L590 HydrophobicContact CG2-CD1 4.46Å; I586-L590 HydrophobicContact CG2-CD2 4.36Å; I586-L590 HydrophobicContact CG2-CG 4.18Å; I586-L590 WeakPolarHBondContact O-CG 3.43Å; I586-L590 PolarHBondContact O-N 3.02Å; A587-L590 PolarHBondContact O-N 3.35Å; I588-L590 PolarHBondContact O-N 3.2Å; L590-C592 VanDerWaalsContact C-N 3.31Å; L590-C592 PolarHBondContact O-N 2.86Å; L590-K593 WeakPolarHBondContact O-CB 3.45Å; L590-K593 PolarHBondContact O-N 2.97Å; L590-L594 WeakPolarHBondContact O-CG 3.47Å; L590-L594 PolarHBondContact O-N 3.5Å
591	N	98.1	Very high	96.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.1	-45.6	177.6	-161.9	47.7	0	0	0	111.3	M467 T469 P471 L506 A587 I588 K593 L594 G595 Y596	M467-N591 HydrophobicContact CE-CB 3.76Å; M467-N591 HydrophobicContact SD-CB 3.83Å; T469-N591 PolarHBondContact O-ND2 3.3Å; P471-N591 WeakPolarHBondContact CD-OD1 3.44Å; L506-N591 HydrophobicContact CD2-CB 4.33Å; A587-N591 PolarHBondContact O-N 2.97Å; I588-N591 PolarHBondContact O-N 3.42Å; N591-K593 VanDerWaalsContact C-N 3.34Å; N591-K593 PolarHBondContact O-N 3.49Å; N591-L594 PolarHBondContact O-N 2.79Å; N591-G595 PolarHBondContact O-N 2.82Å; N591-Y596 PolarHBondContact O-N 3.48Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.33Å
592	C	98.4	Very high	96.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.3	-43.3	173.7	-61.1	0	0	0	0	112.3	I588 L590 L594 G595 Y596 P598 Y802 F840 L843	I588-C592 PolarHBondContact O-N 2.9Å; I588-C592 VanDerWaalsContact O-N 3.09Å; I588-C592 PolarHBondContact O-SG 3.31Å; L590-C592 VanDerWaalsContact C-N 3.31Å; L590-C592 PolarHBondContact O-N 2.86Å; C592-L594 VanDerWaalsContact C-N 3.28Å; C592-L594 PolarHBondContact O-N 3.17Å; C592-G595 PolarHBondContact O-N 2.74Å; C592-Y596 WeakPolarHBondContact CA-O 3.18Å; C592-P598 WeakPolarHBondContact SG-CG 3.43Å; C592-Y802 WeakPolarHBondContact SG-CB 3.44Å; C592-F840 HydrophobicContact CB-CB 3.78Å; C592-F840 HydrophobicContact CB-CD2 3.85Å; C592-F840 HydrophobicContact CB-CG 4.1Å; C592-F840 WeakPolarHBondContact O-CB 3.34Å; C592-F840 WeakPolarHBondContact O-CD2 3.48Å; C592-F840 PolarHBondContact O-N 3.14Å; C592-F840 VanDerWaalsContact O-N 3.16Å; C592-L843 HydrophobicContact CB-CD1 3.9Å
593	K	98.3	Very high	96.8	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-68.2	-25.1	-178.9	-80.1	176.1	178.7	179.4	0	114.1	L538 P565 T566 Q589 L590 N591 G595 F840 L843	L538-K593 HydrophobicContact CD1-CB 3.9Å; L538-K593 HydrophobicContact CD1-CD 4.34Å; P565-K593 HydrophobicContact CB-CB 4.07Å; P565-K593 WeakPolarHBondContact CG-O 3.25Å; T566-K593 PolarHBondContact O-NZ 2.95Å; Q589-K593 HydrophobicContact CG-CD 4.36Å; Q589-K593 WeakPolarHBondContact O-CB 3.44Å; Q589-K593 VanDerWaalsContact O-CG 3.26Å; Q589-K593 WeakPolarHBondContact O-CG 3.39Å; Q589-K593 PolarHBondContact O-N 2.74Å; L590-K593 WeakPolarHBondContact O-CB 3.45Å; L590-K593 PolarHBondContact O-N 2.97Å; N591-K593 VanDerWaalsContact C-N 3.34Å; N591-K593 PolarHBondContact O-N 3.49Å; K593-G595 VanDerWaalsContact C-N 3.31Å; K593-F840 WeakPolarHBondContact CG-O 3.43Å; K593-L843 WeakPolarHBondContact CE-OXT 3.37Å; K593-L843 PolarHBondContact NZ-OXT 3.43Å
594	L	97.1	Very high	96.6	Very high	19 Å²	19	22.9 Å²	22.9	10%	0.099	12%	0.12	C	C	.	.	H	α-helix	trans	-77.7	-18.3	172.1	-63.5	168.2	0	0	0	112.4	P471 L475 K537 L538 L590 N591 C592 Y596	P471-L594 HydrophobicContact CG-CD1 4.21Å; L475-L594 HydrophobicContact CB-CD1 4.35Å; L475-L594 HydrophobicContact CD1-CD1 4.02Å; L475-L594 HydrophobicContact CD1-CD2 3.91Å; K537-L594 HydrophobicContact CB-CD2 3.89Å; L538-L594 HydrophobicContact CB-CD2 4.4Å; L590-L594 WeakPolarHBondContact O-CG 3.47Å; L590-L594 PolarHBondContact O-N 3.5Å; N591-L594 PolarHBondContact O-N 2.79Å; C592-L594 VanDerWaalsContact C-N 3.28Å; C592-L594 PolarHBondContact O-N 3.17Å; L594-Y596 HydrophobicContact CB-CD2 3.8Å; L594-Y596 HydrophobicContact CB-CE2 4.17Å
595	G	95.8	Very high	96.4	Very high	16 Å²	16	22.6 Å²	22.6	17%	0.165	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	114.1	4.9	179.9	0	0	0	0	0	114.8	N591 C592 K593	N591-G595 PolarHBondContact O-N 2.82Å; C592-G595 PolarHBondContact O-N 2.74Å; K593-G595 VanDerWaalsContact C-N 3.31Å
596	Y	97.1	Very high	96.2	Very high	80 Å²	80	21.6 Å²	21.6	31%	0.314	12%	0.121	S	C	.	.			trans	-102.4	167.7	-169.4	-66.5	-94.6	0	0	0	113.1	T470 P471 N591 C592 L594	T470-Y596 VanDerWaalsContact C-CD1 3.42Å; P471-Y596 HydrophobicContact CB-CD2 4.36Å; P471-Y596 HydrophobicContact CB-CE1 4.21Å; P471-Y596 HydrophobicContact CB-CE2 3.72Å; P471-Y596 HydrophobicContact CG-CD2 4.3Å; P471-Y596 HydrophobicContact CG-CE2 4.13Å; N591-Y596 PolarHBondContact O-N 3.48Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.33Å; C592-Y596 WeakPolarHBondContact CA-O 3.18Å; L594-Y596 HydrophobicContact CB-CD2 3.8Å; L594-Y596 HydrophobicContact CB-CE2 4.17Å
597	T	97.6	Very high	96.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.			trans	-113.8	113.6	-166.4	-56.9	0	0	0	0	111.9	L468 T469 W599 M600 S639 Y802	L468-T597 WeakPolarHBondContact CB-O 3.38Å; L468-T597 HydrophobicContact CD2-CG2 4.03Å; L468-T597 PolarHBondContact N-O 3.35Å; T469-T597 PolarHBondContact N-O 2.9Å; T469-T597 WeakPolarHBondContact OG1-CB 3.26Å; T469-T597 PolarHBondContact OG1-N 2.95Å; T597-W599 WeakPolarHBondContact CG2-O 3.36Å; T597-M600 HydrophobicContact CG2-CE 4.19Å; T597-S639 VanDerWaalsContact CB-OG 3.32Å; T597-S639 WeakPolarHBondContact CB-OG 3.47Å; T597-S639 PolarHBondContact OG1-O 3.22Å; T597-S639 VanDerWaalsContact OG1-O 3.13Å; T597-S639 PolarHBondContact OG1-OG 3.42Å; T597-Y802 HydrophobicContact CG2-CE1 4.44Å; T597-Y802 HydrophobicContact CG2-CE2 4.15Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.43Å
598	P	97.2	Very high	96.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-66.8	-38.4	177.8	-28.4	39.8	0	0	0	115.2	M467 L468 I588 C592 Y802	M467-P598 VanDerWaalsContact CA-O 3.31Å; M467-P598 WeakPolarHBondContact CA-O 3.26Å; M467-P598 HydrophobicContact CG-CB 3.94Å; M467-P598 HydrophobicContact SD-CB 3.8Å; M467-P598 HydrophobicContact SD-CG 3.99Å; L468-P598 PolarHBondContact N-O 2.91Å; I588-P598 HydrophobicContact CG2-CB 4.02Å; I588-P598 HydrophobicContact CG2-CG 3.76Å; C592-P598 WeakPolarHBondContact SG-CG 3.43Å; P598-Y802 HydrophobicContact CG-CD2 4.43Å; P598-Y802 HydrophobicContact CG-CG 4.16Å
599	W	97.6	Very high	96.2	Very high	1 Å²	1	21 Å²	21	0%	0.004	12%	0.119	C	C	.	.			trans	-157.2	166.5	178	67	86.1	0	0	0	111.4	I443 V444 F445 W458 F462 I588 T597 H799 Y802 W804	I443-W599 HydrophobicContact CG2-CB 3.68Å; I443-W599 HydrophobicContact CG2-CG 3.78Å; V444-W599 CarbonylContact O-C 3.52Å; V444-W599 VanDerWaalsContact O-CA 3.3Å; V444-W599 WeakPolarHBondContact O-CA 3.36Å; V444-W599 WeakPolarHBondContact O-CB 3.21Å; F445-W599 HydrophobicContact CE1-CB 4.23Å; F445-W599 HydrophobicContact CZ-CB 4.36Å; W458-W599 AromaticContact CE2-CE2 3.94Å; W458-W599 AromaticContact CE2-NE1 3.97Å; W458-W599 AromaticContact CZ2-CE2 3.71Å; W458-W599 AromaticContact CZ2-CZ2 3.74Å; W458-W599 HydrophobicContact CZ2-CZ2 3.74Å; W458-W599 AromaticContact CZ2-NE1 3.52Å; W458-W599 AromaticContact NE1-CD2 3.74Å; W458-W599 AromaticContact NE1-CE2 3.53Å; W458-W599 AromaticContact NE1-CZ2 3.76Å; W458-W599 AromaticContact NE1-NE1 3.86Å; F462-W599 AromaticContact CE1-CE3 3.6Å; F462-W599 HydrophobicContact CE1-CE3 3.6Å; F462-W599 AromaticContact CE1-CZ3 3.85Å; F462-W599 HydrophobicContact CE1-CZ3 3.85Å; F462-W599 HydrophobicContact CE2-CZ3 4.42Å; F462-W599 HydrophobicContact CZ-CD2 4.15Å; F462-W599 AromaticContact CZ-CE3 3.3Å; F462-W599 HydrophobicContact CZ-CE3 3.3Å; F462-W599 HydrophobicContact CZ-CH2 4.29Å; F462-W599 AromaticContact CZ-CZ3 3.4Å; F462-W599 HydrophobicContact CZ-CZ3 3.4Å; F462-W599 VanDerWaalsContact CZ-CZ3 3.4Å; I588-W599 HydrophobicContact CG2-CZ3 4.22Å; T597-W599 WeakPolarHBondContact CG2-O 3.36Å; W599-H799 PolarHBondContact NE1-O 3.01Å; W599-Y802 AromaticContact CD2-CD1 3.91Å; W599-Y802 HydrophobicContact CD2-CD1 3.91Å; W599-Y802 HydrophobicContact CD2-CE1 4.3Å; W599-Y802 AromaticContact CE2-CD1 3.71Å; W599-Y802 HydrophobicContact CE3-CD1 4.19Å; W599-Y802 HydrophobicContact CG-CD1 4.49Å; W599-Y802 HydrophobicContact CG-CE1 4.44Å; W599-Y802 HydrophobicContact CH2-CD1 4.22Å; W599-Y802 AromaticContact CZ2-CD1 3.9Å; W599-Y802 HydrophobicContact CZ2-CD1 3.9Å; W599-Y802 HydrophobicContact CZ3-CD1 4.33Å; W599-Y802 VanDerWaalsContact O-CE1 3.26Å; W599-Y802 WeakPolarHBondContact O-CE1 3.46Å; W599-Y802 PolarHBondContact O-OH 3.39Å; W599-W804 WeakPolarHBondContact CH2-O 3.37Å; W599-W804 WeakPolarHBondContact CZ2-O 3.1Å
600	M	97.5	Very high	96.2	Very high	11 Å²	11	19.7 Å²	19.7	5%	0.054	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	-179.8	173.6	-170.2	43.2	62.6	0	0	111.7	V444 L468 T597 L635 L800 Y802	V444-M600 HydrophobicContact CB-CB 4.44Å; V444-M600 PolarHBondContact N-O 3.23Å; V444-M600 PolarHBondContact O-N 3.32Å; L468-M600 HydrophobicContact CD2-CB 3.41Å; L468-M600 VanDerWaalsContact CD2-CB 3.41Å; L468-M600 HydrophobicContact CD2-CG 4.47Å; T597-M600 HydrophobicContact CG2-CE 4.19Å; M600-L635 HydrophobicContact CE-CB 4.3Å; M600-L635 HydrophobicContact CE-CD1 4.42Å; M600-L635 HydrophobicContact CE-CD2 3.93Å; M600-L635 HydrophobicContact CE-CG 4.44Å; M600-L635 HydrophobicContact SD-CB 4Å; M600-L635 HydrophobicContact SD-CD1 4.25Å; M600-L800 HydrophobicContact CE-CD2 4.15Å; M600-L800 HydrophobicContact SD-CD1 3.96Å; M600-L800 HydrophobicContact SD-CD2 3.59Å; M600-L800 VanDerWaalsContact SD-CD2 3.59Å; M600-L800 HydrophobicContact SD-CG 4.45Å; M600-Y802 VanDerWaalsContact CE-OH 3.29Å; M600-Y802 WeakPolarHBondContact CE-OH 3.34Å
601	I	96.3	Very high	96.2	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.026	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.6	177.2	-160.6	66.3	0	0	0	109	Q441 N442 I443 L603 K796 H799 L800	Q441-I601 HydrophobicContact CB-CD1 3.61Å; N442-I601 VanDerWaalsContact O-CD1 3.22Å; N442-I601 WeakPolarHBondContact O-CD1 3.45Å; I443-I601 HydrophobicContact CD1-CD1 4.16Å; I601-L603 PolarHBondContact O-N 2.99Å; I601-L603 VanDerWaalsContact O-N 3.13Å; I601-K796 HydrophobicContact CG1-CB 4.06Å; I601-K796 HydrophobicContact CG1-CG 3.96Å; I601-K796 HydrophobicContact CG2-CB 4.26Å; I601-H799 HydrophobicContact CD1-CB 4.15Å; I601-L800 HydrophobicContact CB-CD2 3.97Å; I601-L800 HydrophobicContact CB-CG 4.46Å; I601-L800 HydrophobicContact CG2-CD1 3.87Å; I601-L800 HydrophobicContact CG2-CD2 3.98Å; I601-L800 HydrophobicContact CG2-CG 4.11Å
602	E	92.1	Very high	96.2	Very high	65 Å²	65	19.8 Å²	19.8	30%	0.304	11%	0.113	S	C	.	.			trans	-63.9	113.8	173.7	-64.7	175.1	137.2	0	0	110.4	N442 V444 K449 K796	N442-E602 HydrophobicContact CB-CG 4.33Å; N442-E602 WeakPolarHBondContact CB-OE2 3.42Å; N442-E602 PolarHBondContact ND2-OE2 3Å; V444-E602 HydrophobicContact CG2-CG 4.02Å; K449-E602 WeakPolarHBondContact CD-OE1 3.49Å; K449-E602 WeakPolarHBondContact CE-OE1 3.12Å; K449-E602 IonicContact NZ-OE1 2.7Å; K449-E602 PolarHBondContact NZ-OE1 3.46Å; E602-K796 WeakPolarHBondContact O-CD 3.42Å; E602-K796 VanDerWaalsContact O-CE 3.23Å; E602-K796 WeakPolarHBondContact O-CE 3.49Å; E602-K796 PolarHBondContact O-NZ 3.23Å
603	L	93.4	Very high	96.1	Very high	16 Å²	16	20 Å²	20	8%	0.084	11%	0.114	C	C	.	.			trans	-123.1	98	-173	-177.8	64.9	0	0	0	111.2	I601 L605 L608 L635 L793	I601-L603 PolarHBondContact O-N 2.99Å; I601-L603 VanDerWaalsContact O-N 3.13Å; L603-L605 PolarHBondContact O-N 3.38Å; L603-L608 HydrophobicContact CD1-CD2 4.3Å; L603-L608 HydrophobicContact CD2-CD2 4.36Å; L603-L635 HydrophobicContact CD2-CB 3.87Å; L603-L793 HydrophobicContact CD1-CD1 3.58Å
604	P	91.6	Very high	95.8	Very high	106 Å²	106	20.2 Å²	20.2	69%	0.688	12%	0.115	S	C	*	.			trans	-84.4	51.7	-177.3	35.8	-37	0	0	0	112.2
605	L	92.4	Very high	95.5	Very high	28 Å²	28	21.2 Å²	21.2	15%	0.147	12%	0.12	C	C	.	.			trans	-146.1	95.4	179.8	-74.6	177.7	0	0	0	111.1	L603 L608 L785 L793	L603-L605 PolarHBondContact O-N 3.38Å; L605-L608 HydrophobicContact CB-CB 4.37Å; L605-L608 HydrophobicContact CB-CD2 3.96Å; L605-L608 HydrophobicContact CD1-CD2 3.91Å; L605-L608 WeakPolarHBondContact O-CB 3.43Å; L605-L785 HydrophobicContact CD1-CD1 4.07Å; L605-L785 HydrophobicContact CD2-CD2 4.45Å; L605-L793 HydrophobicContact CD1-CD1 4.28Å; L605-L793 HydrophobicContact CD1-CD2 3.88Å
606	S	91.8	Very high	95.2	Very high	61 Å²	61	21.1 Å²	21.1	43%	0.427	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	151.8	175.8	-27.1	0	0	0	0	112.1	L608 Q636 R679	S606-L608 VanDerWaalsContact C-N 3.28Å; S606-L608 PolarHBondContact O-N 3.03Å; S606-Q636 VanDerWaalsContact N-OE1 3.1Å; S606-Q636 PolarHBondContact OG-OE1 3.27Å; S606-Q636 VanDerWaalsContact OG-OE1 3.07Å; S606-R679 PolarHBondContact O-NH1 2.64Å
607	G	95.4	Very high	94.8	Very high	5 Å²	5	23.3 Å²	23.3	5%	0.052	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	22.7	175.4	0	0	0	0	0	113.7	D634 Y669 P677 S678 R679	G607-D634 VanDerWaalsContact CA-OD2 3.26Å; G607-D634 WeakPolarHBondContact CA-OD2 3.4Å; G607-D634 PolarHBondContact N-OD2 3.3Å; G607-Y669 WeakPolarHBondContact CA-OH 3.4Å; G607-P677 CarbonylContact O-C 3.55Å; G607-P677 WeakPolarHBondContact O-CB 3.49Å; G607-S678 PolarHBondContact O-N 2.85Å; G607-S678 VanDerWaalsContact O-N 3.07Å; G607-R679 PolarHBondContact O-N 3.45Å
608	L	97.7	Very high	94.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	115	-172	178.3	59.5	0	0	0	112.8	L603 L605 S606 R679 V681 L793	L603-L608 HydrophobicContact CD1-CD2 4.3Å; L603-L608 HydrophobicContact CD2-CD2 4.36Å; L605-L608 HydrophobicContact CB-CB 4.37Å; L605-L608 HydrophobicContact CB-CD2 3.96Å; L605-L608 HydrophobicContact CD1-CD2 3.91Å; L605-L608 WeakPolarHBondContact O-CB 3.43Å; S606-L608 VanDerWaalsContact C-N 3.28Å; S606-L608 PolarHBondContact O-N 3.03Å; L608-R679 HydrophobicContact CD1-CB 3.88Å; L608-V681 HydrophobicContact CD1-CB 4.37Å; L608-V681 HydrophobicContact CD1-CG2 3.84Å; L608-L793 HydrophobicContact CD2-CD1 4.08Å; L608-L793 HydrophobicContact CD2-CD2 4.24Å
609	M	98.6	Very high	93.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.2	166.2	-174.6	-170.8	-164.7	0	0	109.4	I611 A631 A665 L666 Y669 P677 R679 I680 V681	M609-I611 HydrophobicContact CE-CD1 3.9Å; M609-I611 HydrophobicContact CE-CG1 4.17Å; M609-I611 HydrophobicContact CG-CD1 4.37Å; M609-I611 HydrophobicContact CG-CG1 4.02Å; M609-I611 HydrophobicContact SD-CD1 3.91Å; M609-I611 HydrophobicContact SD-CG1 4.21Å; M609-A631 HydrophobicContact CE-CB 3.6Å; M609-A631 HydrophobicContact CG-CB 4.41Å; 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 4.31Å; M609-Y669 HydrophobicContact CB-CE2 4.26Å; M609-Y669 HydrophobicContact CG-CD2 4.44Å; M609-P677 HydrophobicContact CB-CB 3.68Å; M609-P677 HydrophobicContact CB-CG 3.81Å; M609-P677 HydrophobicContact CG-CG 4.42Å; M609-P677 HydrophobicContact SD-CG 3.79Å; M609-R679 PolarHBondContact N-O 3.48Å; M609-I680 HydrophobicContact CB-CG1 4.45Å; M609-I680 VanDerWaalsContact O-CA 3.31Å; M609-I680 WeakPolarHBondContact O-CA 3.49Å; M609-I680 HydrophobicContact SD-CD1 4.48Å; M609-I680 HydrophobicContact SD-CG1 4.46Å; M609-V681 PolarHBondContact O-N 2.92Å
610	T	98.7	Very high	92.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.1	171.4	-51.7	0	0	0	0	109.2	A631 S632 V681 Y683 M797 V813	T610-A631 CarbonylContact O-C 3.56Å; T610-A631 WeakPolarHBondContact O-CA 3.47Å; T610-S632 PolarHBondContact N-OG 3.26Å; T610-S632 PolarHBondContact O-N 3.24Å; T610-V681 CarbonylContact C-O 3.44Å; T610-V681 WeakPolarHBondContact CA-O 3.41Å; T610-Y683 HydrophobicContact CG2-CD2 3.72Å; T610-Y683 HydrophobicContact CG2-CE2 3.57Å; T610-M797 HydrophobicContact CG2-CE 3.93Å; T610-M797 HydrophobicContact CG2-CG 4.42Å; T610-V813 HydrophobicContact CG2-CG1 4.38Å; T610-V813 HydrophobicContact CG2-CG2 4Å
611	I	98.8	Very high	92.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.7	-178	-55.9	178.7	0	0	0	109.6	M609 L629 I630 A631 I680 V681 F682 Y683	M609-I611 HydrophobicContact CE-CD1 3.9Å; M609-I611 HydrophobicContact CE-CG1 4.17Å; M609-I611 HydrophobicContact CG-CD1 4.37Å; M609-I611 HydrophobicContact CG-CG1 4.02Å; M609-I611 HydrophobicContact SD-CD1 3.91Å; M609-I611 HydrophobicContact SD-CG1 4.21Å; I611-L629 HydrophobicContact CG2-CD1 3.8Å; I611-L629 HydrophobicContact CG2-CD2 4.08Å; I611-L629 HydrophobicContact CG2-CG 3.76Å; I611-I630 CarbonylContact C-O 3.53Å; I611-I630 VanDerWaalsContact CA-O 3.28Å; I611-I630 WeakPolarHBondContact CA-O 3.18Å; I611-A631 HydrophobicContact CG1-CB 4.18Å; I611-I680 HydrophobicContact CD1-CG2 3.75Å; I611-I680 HydrophobicContact CG1-CG2 4.26Å; I611-V681 PolarHBondContact N-O 3.23Å; I611-F682 HydrophobicContact CB-CD2 3.77Å; I611-F682 HydrophobicContact CB-CE2 4.28Å; I611-F682 HydrophobicContact CB-CG 4.32Å; I611-F682 HydrophobicContact CD1-CD2 4.11Å; I611-F682 HydrophobicContact CG2-CD2 3.57Å; I611-F682 HydrophobicContact CG2-CE2 3.54Å; I611-F682 HydrophobicContact CG2-CG 4.38Å; I611-F682 HydrophobicContact CG2-CZ 4.33Å; I611-Y683 PolarHBondContact O-N 2.83Å
612	G	98.1	Very high	91.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.8	171	0	0	0	0	0	111	L629 I630 Y683	G612-L629 WeakPolarHBondContact O-CA 2.97Å; G612-I630 PolarHBondContact N-O 3.04Å; G612-I630 PolarHBondContact O-N 3.3Å; G612-Y683 WeakPolarHBondContact CA-O 3.5Å
613	F	95.4	Very high	90.6	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132	179.4	-173	-122.7	0	0	0	111.3	I615 A628 L629 L658 M661 F682 Y683 D685	F613-I615 HydrophobicContact CD1-CD1 4.4Å; F613-I615 HydrophobicContact CE1-CD1 3.65Å; F613-I615 HydrophobicContact CE1-CG1 4.02Å; F613-I615 HydrophobicContact CZ-CD1 3.96Å; F613-I615 HydrophobicContact CZ-CG1 3.82Å; F613-A628 VanDerWaalsContact CD2-O 3.23Å; F613-A628 WeakPolarHBondContact CD2-O 3.43Å; F613-L629 HydrophobicContact CD2-CB 4.14Å; F613-L658 HydrophobicContact CD1-CD1 4.01Å; F613-L658 HydrophobicContact CD1-CD2 4.44Å; F613-L658 HydrophobicContact CD2-CD1 3.99Å; F613-L658 HydrophobicContact CE1-CD1 4.03Å; F613-L658 HydrophobicContact CE1-CD2 4.42Å; F613-L658 HydrophobicContact CE2-CD1 4.03Å; F613-L658 HydrophobicContact CG-CD1 4.02Å; F613-L658 HydrophobicContact CZ-CD1 4.05Å; F613-M661 HydrophobicContact CD2-CE 4.39Å; F613-M661 HydrophobicContact CE2-CE 3.6Å; F613-M661 HydrophobicContact CZ-CE 4.21Å; F613-F682 HydrophobicContact CB-CE1 3.94Å; F613-F682 HydrophobicContact CB-CZ 3.66Å; F613-F682 HydrophobicContact CD1-CZ 4.49Å; F613-F682 HydrophobicContact CG-CZ 4.3Å; F613-Y683 PolarHBondContact N-O 2.57Å; F613-D685 PolarHBondContact O-N 3.11Å; F613-D685 VanDerWaalsContact O-N 3.09Å
614	D	92.6	Very high	90.3	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.027	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	158.4	173.9	-168.1	16.7	0	0	0	109.5	A628 D685 A817 K818	D614-A628 PolarHBondContact N-O 3.04Å; D614-A628 PolarHBondContact O-N 2.78Å; D614-D685 HydrophobicContact CB-CB 4.32Å; D614-A817 HydrophobicContact CB-CB 4.12Å; D614-K818 HydrophobicContact CB-CB 4.33Å; D614-K818 IonicContact OD1-NZ 3.5Å; D614-K818 WeakPolarHBondContact OD2-CA 2.93Å; D614-K818 WeakPolarHBondContact OD2-CB 3.3Å; D614-K818 WeakPolarHBondContact OD2-CD 3.47Å; D614-K818 WeakPolarHBondContact OD2-CG 3.49Å; D614-K818 IonicContact OD2-NZ 2.72Å; D614-K818 PolarHBondContact OD2-NZ 3.46Å
615	I	90	Very high	90.2	Very high	39 Å²	39	50.7 Å²	50.7	20%	0.2	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.8	-173	-64.4	130.7	0	0	0	110.6	F613 A625 Y626 V653	F613-I615 HydrophobicContact CD1-CD1 4.4Å; F613-I615 HydrophobicContact CE1-CD1 3.65Å; F613-I615 HydrophobicContact CE1-CG1 4.02Å; F613-I615 HydrophobicContact CZ-CD1 3.96Å; F613-I615 HydrophobicContact CZ-CG1 3.82Å; I615-A625 HydrophobicContact CG2-CB 3.76Å; I615-Y626 WeakPolarHBondContact CA-O 3.41Å; I615-V653 HydrophobicContact CD1-CG1 3.5Å; I615-V653 HydrophobicContact CG1-CG1 4.47Å
616	A	89.3	Confident	90.2	Very high	14 Å²	14	49.5 Å²	49.5	12%	0.116	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.7	173.1	0	0	0	0	0	111	A625 Y626 A821	A616-A625 CarbonylContact O-C 3.58Å; A616-A625 VanDerWaalsContact O-CA 3.27Å; A616-A625 WeakPolarHBondContact O-CA 3.13Å; A616-Y626 PolarHBondContact N-O 3.31Å; A616-Y626 PolarHBondContact O-N 2.94Å; A616-A821 VanDerWaalsContact CB-C 3.47Å; A616-A821 HydrophobicContact CB-CB 3.85Å; A616-A821 WeakPolarHBondContact CB-O 3.44Å
617	K	88.3	Confident	90.3	Very high	126 Å²	126	46.6 Å²	46.6	55%	0.548	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	144.8	171.6	-63.1	-164.7	173.1	-156.1	0	110.2	A625 A650	K617-A625 HydrophobicContact CG-CB 4.44Å; K617-A650 HydrophobicContact CD-CB 4.19Å; K617-A650 HydrophobicContact CG-CB 4.44Å; K617-A650 PolarHBondContact NZ-O 3.48Å
618	S	88.1	Confident	90.3	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.035	20%	0.204	C	C	.	.			trans	-70.2	133.1	175.3	-174.6	0	0	0	0	110.2	R620 D621 R624 G825 H829	S618-R620 VanDerWaalsContact C-N 3.3Å; S618-R620 PolarHBondContact OG-N 3.34Å; S618-D621 WeakPolarHBondContact CB-O 3.21Å; S618-R624 PolarHBondContact N-O 2.82Å; S618-G825 WeakPolarHBondContact CA-O 3.44Å; S618-H829 PolarHBondContact OG-ND1 2.95Å
619	T	84.6	Confident	90.3	Very high	91 Å²	91	46.4 Å²	46.4	56%	0.558	20%	0.204	S	C	*	.	S	Bend	trans	-73.8	-25.1	174.5	55	0	0	0	0	112	G825 T826 H829	T619-G825 PolarHBondContact N-O 3.44Å; T619-G825 PolarHBondContact OG1-O 3.3Å; T619-T826 HydrophobicContact CG2-CG2 4.29Å; T619-H829 PolarHBondContact OG1-CE1 3.25Å; T619-H829 VanDerWaalsContact OG1-CE1 3.31Å
620	R	81.1	Confident	90.3	Very high	202 Å²	202	46.4 Å²	46.4	76%	0.762	20%	0.204	S	C	*	.	S	Bend	trans	-81.1	-35.2	178.8	-174.1	179.4	179.5	-152.1	-0.9	113.5	S618	S618-R620 VanDerWaalsContact C-N 3.3Å; S618-R620 PolarHBondContact OG-N 3.34Å
621	D	80.7	Confident	90.3	Very high	49 Å²	49	46.4 Å²	46.4	26%	0.262	20%	0.204	S	C	.	.			trans	-138.5	105.7	179.7	-179.7	-4.9	0	0	0	110.2	S618 K623 R624	S618-D621 WeakPolarHBondContact CB-O 3.21Å; D621-K623 PolarHBondContact O-N 3.15Å; D621-K623 VanDerWaalsContact OD1-CB 3.28Å; D621-K623 WeakPolarHBondContact OD1-CB 3.41Å; D621-K623 PolarHBondContact OD1-N 3.27Å; D621-R624 HydrophobicContact CB-CB 4.45Å; D621-R624 HydrophobicContact CB-CG 4.2Å; D621-R624 PolarHBondContact O-N 3.47Å; D621-R624 WeakPolarHBondContact OD2-CD 3.31Å; D621-R624 WeakPolarHBondContact OD2-CG 3.21Å; D621-R624 IonicContact OD2-CZ 3.24Å; D621-R624 IonicContact OD2-NE 2.97Å; D621-R624 PolarHBondContact OD2-NE 2.91Å; D621-R624 IonicContact OD2-NH2 2.68Å
622	R	75.6	Confident	90.3	Very high	172 Å²	172	46.3 Å²	46.3	65%	0.649	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-10	-177.5	-62.7	-176.3	-177.1	179.8	3.1	113.8	D288 A650	D288-R622 IonicContact OD2-CZ 3.98Å; D288-R622 IonicContact OD2-NH1 2.66Å; D288-R622 PolarHBondContact OD2-NH1 3.31Å; R622-A650 WeakPolarHBondContact O-CB 3.26Å
623	K	80.9	Confident	90.2	Very high	148 Å²	148	46.3 Å²	46.3	64%	0.643	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-18.5	172.8	-53.9	-175	-177.7	177.6	0	113	D621 A650 F651	D621-K623 PolarHBondContact O-N 3.15Å; D621-K623 VanDerWaalsContact OD1-CB 3.28Å; D621-K623 WeakPolarHBondContact OD1-CB 3.41Å; D621-K623 PolarHBondContact OD1-N 3.27Å; K623-A650 VanDerWaalsContact C-CB 3.48Å; K623-A650 VanDerWaalsContact O-CB 3.26Å; K623-A650 WeakPolarHBondContact O-CB 3.38Å; K623-A650 PolarHBondContact O-N 2.59Å; K623-F651 HydrophobicContact CB-CE2 4.05Å; K623-F651 HydrophobicContact CG-CE2 4.07Å
624	R	86.9	Confident	90.1	Very high	112 Å²	112	46 Å²	46	42%	0.423	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	146.8	-178.6	-63.6	172.8	-164.4	-117.9	3.8	112.1	S618 D621 E647	S618-R624 PolarHBondContact N-O 2.82Å; D621-R624 HydrophobicContact CB-CB 4.45Å; D621-R624 HydrophobicContact CB-CG 4.2Å; D621-R624 PolarHBondContact O-N 3.47Å; D621-R624 WeakPolarHBondContact OD2-CD 3.31Å; D621-R624 WeakPolarHBondContact OD2-CG 3.21Å; D621-R624 IonicContact OD2-CZ 3.24Å; D621-R624 IonicContact OD2-NE 2.97Å; D621-R624 PolarHBondContact OD2-NE 2.91Å; D621-R624 IonicContact OD2-NH2 2.68Å; R624-E647 VanDerWaalsContact CD-OE1 3.22Å; R624-E647 WeakPolarHBondContact CD-OE1 3.35Å; R624-E647 IonicContact CZ-OE1 2.82Å; R624-E647 IonicContact NE-OE1 2.7Å; R624-E647 IonicContact NH1-OE1 3.19Å; R624-E647 PolarHBondContact NH1-OE1 2.94Å; R624-E647 IonicContact NH1-OE2 2.79Å
625	A	89.9	Confident	90.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	163.9	167	0	0	0	0	0	110.1	I615 A616 K617 E647 C648 A650	I615-A625 HydrophobicContact CG2-CB 3.76Å; A616-A625 CarbonylContact O-C 3.58Å; A616-A625 VanDerWaalsContact O-CA 3.27Å; A616-A625 WeakPolarHBondContact O-CA 3.13Å; K617-A625 HydrophobicContact CG-CB 4.44Å; A625-E647 WeakPolarHBondContact O-CA 3.47Å; A625-C648 PolarHBondContact N-O 2.81Å; A625-C648 PolarHBondContact O-N 3.31Å; A625-A650 HydrophobicContact CB-CB 4.26Å
626	Y	92.6	Very high	90	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.3	175.8	-63	-77	0	0	0	109.1	I615 A616 V645 T646 E647 V824	I615-Y626 WeakPolarHBondContact CA-O 3.41Å; A616-Y626 PolarHBondContact N-O 3.31Å; A616-Y626 PolarHBondContact O-N 2.94Å; Y626-V645 HydrophobicContact CD1-CG1 4.47Å; Y626-T646 WeakPolarHBondContact CA-O 3.49Å; Y626-E647 HydrophobicContact CD1-CB 3.97Å; Y626-E647 HydrophobicContact CD1-CG 4.08Å; Y626-E647 HydrophobicContact CE1-CB 3.69Å; Y626-E647 HydrophobicContact CE1-CG 3.56Å; Y626-E647 WeakPolarHBondContact CE1-OE2 3.48Å; Y626-E647 PolarHBondContact OH-OE2 2.99Å; Y626-V824 HydrophobicContact CD1-CG1 3.56Å; Y626-V824 HydrophobicContact CD2-CB 4.4Å; Y626-V824 HydrophobicContact CD2-CG1 3.8Å; Y626-V824 HydrophobicContact CE1-CG1 3.93Å; Y626-V824 HydrophobicContact CE2-CG1 4.12Å; Y626-V824 HydrophobicContact CG-CB 4.19Å; Y626-V824 HydrophobicContact CG-CG1 3.51Å
627	G	93	Very high	89.8	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.1	170.6	0	0	0	0	0	109.6	V645 T646	G627-V645 WeakPolarHBondContact O-CA 3.39Å; G627-V645 WeakPolarHBondContact O-CG1 3.31Å; G627-T646 PolarHBondContact N-O 3.47Å; G627-T646 PolarHBondContact O-N 3.29Å
628	A	95.8	Very high	89.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.9	177.5	0	0	0	0	0	110.6	F613 D614 T644 V645 A817 L820 A821	F613-A628 VanDerWaalsContact CD2-O 3.23Å; F613-A628 WeakPolarHBondContact CD2-O 3.43Å; D614-A628 PolarHBondContact N-O 3.04Å; D614-A628 PolarHBondContact O-N 2.78Å; A628-T644 WeakPolarHBondContact CA-O 3.32Å; A628-V645 HydrophobicContact CB-CG1 4.48Å; A628-V645 HydrophobicContact CB-CG2 4.05Å; A628-A817 WeakPolarHBondContact CB-O 3.47Å; A628-A817 WeakPolarHBondContact O-CB 3.45Å; A628-L820 HydrophobicContact CB-CB 4.04Å; A628-L820 HydrophobicContact CB-CD2 4.08Å; A628-L820 HydrophobicContact CB-CG 3.86Å; A628-A821 HydrophobicContact CB-CB 3.76Å
629	L	97.5	Very high	89.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.2	177.7	-176.3	147	0	0	0	110	I611 G612 F613 A631 S643 T644 L658 M661 I662 A665 F682	I611-L629 HydrophobicContact CG2-CD1 3.8Å; I611-L629 HydrophobicContact CG2-CD2 4.08Å; I611-L629 HydrophobicContact CG2-CG 3.76Å; G612-L629 WeakPolarHBondContact O-CA 2.97Å; F613-L629 HydrophobicContact CD2-CB 4.14Å; L629-A631 HydrophobicContact CD2-CB 4.32Å; L629-S643 WeakPolarHBondContact O-CA 3.49Å; L629-T644 HydrophobicContact CB-CG2 4.14Å; L629-T644 HydrophobicContact CD2-CG2 4.32Å; L629-T644 PolarHBondContact N-O 3.22Å; L629-T644 PolarHBondContact O-N 2.73Å; L629-L658 HydrophobicContact CD1-CD1 3.86Å; L629-M661 HydrophobicContact CB-CB 3.96Å; L629-M661 HydrophobicContact CB-CE 4.33Å; L629-M661 HydrophobicContact CB-SD 4.06Å; L629-M661 HydrophobicContact CD1-CB 3.96Å; L629-M661 HydrophobicContact CG-CB 4.38Å; L629-I662 HydrophobicContact CD1-CG1 3.64Å; L629-A665 HydrophobicContact CD2-CB 4.14Å; L629-F682 HydrophobicContact CD1-CE2 4.38Å
630	I	98.6	Very high	90.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.9	174.9	-51.9	-63	0	0	0	108.4	I611 G612 Y641 F642 V813 Y816 A817 L820 Y842	I611-I630 CarbonylContact C-O 3.53Å; I611-I630 VanDerWaalsContact CA-O 3.28Å; I611-I630 WeakPolarHBondContact CA-O 3.18Å; G612-I630 PolarHBondContact N-O 3.04Å; G612-I630 PolarHBondContact O-N 3.3Å; I630-Y641 HydrophobicContact CG2-CD1 4Å; I630-F642 CarbonylContact C-O 3.39Å; I630-F642 WeakPolarHBondContact CA-O 3.15Å; I630-V813 HydrophobicContact CG2-CG1 4.36Å; I630-Y816 HydrophobicContact CG2-CD2 4.49Å; I630-A817 HydrophobicContact CG1-CB 3.88Å; I630-L820 HydrophobicContact CD1-CD2 3.77Å; I630-Y842 HydrophobicContact CD1-CE1 4.39Å
631	A	98.7	Very high	91.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.2	177.9	0	0	0	0	0	111.6	M609 T610 I611 L629 Y641 F642 A665	M609-A631 HydrophobicContact CE-CB 3.6Å; M609-A631 HydrophobicContact CG-CB 4.41Å; T610-A631 CarbonylContact O-C 3.56Å; T610-A631 WeakPolarHBondContact O-CA 3.47Å; I611-A631 HydrophobicContact CG1-CB 4.18Å; L629-A631 HydrophobicContact CD2-CB 4.32Å; A631-Y641 CarbonylContact O-C 3.52Å; A631-Y641 WeakPolarHBondContact O-CA 3.35Å; A631-Y641 WeakPolarHBondContact O-CB 3.47Å; A631-F642 PolarHBondContact N-O 3Å; A631-F642 PolarHBondContact O-N 2.79Å; A631-A665 HydrophobicContact CB-CB 3.88Å
632	S	98.4	Very high	91.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	144.2	172.7	69.3	0	0	0	0	112.4	T610 D634	T610-S632 PolarHBondContact N-OG 3.26Å; T610-S632 PolarHBondContact O-N 3.24Å; S632-D634 PolarHBondContact O-N 3.1Å
633	M	97.1	Very high	93	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.13	C	C	.	.			trans	-102.8	66.2	-177.6	-64	-55.6	170.3	0	0	112.7	N638 T640 F642 A665 Q668 Y669 H673	M633-N638 WeakPolarHBondContact O-CB 3.49Å; M633-T640 PolarHBondContact N-O 2.92Å; M633-F642 HydrophobicContact CE-CB 3.31Å; M633-F642 HydrophobicContact CE-CG 4.06Å; M633-A665 WeakPolarHBondContact CE-O 3.4Å; M633-Q668 HydrophobicContact CE-CB 3.92Å; M633-Q668 HydrophobicContact CE-CG 3.96Å; M633-Y669 WeakPolarHBondContact SD-CA 3.44Å; M633-Y669 VanDerWaalsContact SD-CB 3.5Å; M633-Y669 HydrophobicContact SD-CD2 3.6Å; M633-Y669 HydrophobicContact SD-CG 3.93Å; M633-H673 PolarHBondContact O-CE1 2.88Å; M633-H673 PolarHBondContact O-NE2 3.07Å
634	D	92	Very high	93.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.			trans	52.3	80.7	-175.4	-160.3	-17.1	0	0	0	113.4	G607 S632 Q636 Q637 N638 Y669	G607-D634 VanDerWaalsContact CA-OD2 3.26Å; G607-D634 WeakPolarHBondContact CA-OD2 3.4Å; G607-D634 PolarHBondContact N-OD2 3.3Å; S632-D634 PolarHBondContact O-N 3.1Å; D634-Q636 PolarHBondContact O-N 3.04Å; D634-Q636 PolarHBondContact OD1-N 2.85Å; D634-Q637 PolarHBondContact O-N 3.04Å; D634-N638 CarbonylContact C-O 3.48Å; D634-N638 PolarHBondContact O-N 2.92Å; D634-N638 VanDerWaalsContact O-O 3.13Å; D634-Y669 HydrophobicContact CB-CE2 3.97Å; D634-Y669 WeakPolarHBondContact CB-OH 3.36Å; D634-Y669 PolarHBondContact OD2-OH 2.86Å
635	L	94.1	Very high	94.2	Very high	10 Å²	10	16.6 Å²	16.6	5%	0.052	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9	-173.2	-58.4	176.4	0	0	0	114.6	M600 L603 Y641 M797 L800	M600-L635 HydrophobicContact CE-CB 4.3Å; M600-L635 HydrophobicContact CE-CD1 4.42Å; M600-L635 HydrophobicContact CE-CD2 3.93Å; M600-L635 HydrophobicContact CE-CG 4.44Å; M600-L635 HydrophobicContact SD-CB 4Å; M600-L635 HydrophobicContact SD-CD1 4.25Å; L603-L635 HydrophobicContact CD2-CB 3.87Å; L635-Y641 WeakPolarHBondContact CD1-OH 3.42Å; L635-Y641 HydrophobicContact CD2-CE2 3.9Å; L635-M797 HydrophobicContact CD1-CE 3.84Å; L635-L800 HydrophobicContact CD1-CD1 3.75Å
636	Q	86.6	Confident	94.4	Very high	99 Å²	99	18.2 Å²	18.2	46%	0.463	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-28.6	170.1	-172.5	179.7	-8.6	0	0	112.2	S606 D634	S606-Q636 VanDerWaalsContact N-OE1 3.1Å; S606-Q636 PolarHBondContact OG-OE1 3.27Å; S606-Q636 VanDerWaalsContact OG-OE1 3.07Å; D634-Q636 PolarHBondContact O-N 3.04Å; D634-Q636 PolarHBondContact OD1-N 2.85Å
637	Q	86	Confident	94.3	Very high	122 Å²	122	21.2 Å²	21.2	57%	0.57	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-36.9	-176	-56.1	-163.9	-35.3	0	0	112.7	D634 K675	D634-Q637 PolarHBondContact O-N 3.04Å; Q637-K675 VanDerWaalsContact OE1-NZ 3.1Å
638	N	85.3	Confident	93.9	Very high	39 Å²	39	21.9 Å²	21.9	21%	0.209	11%	0.113	C	C	.	.			trans	-141	110.5	-173.8	165.5	1.4	0	0	0	108.8	M633 D634 T640 E672	M633-N638 WeakPolarHBondContact O-CB 3.49Å; D634-N638 CarbonylContact C-O 3.48Å; D634-N638 PolarHBondContact O-N 2.92Å; D634-N638 VanDerWaalsContact O-O 3.13Å; N638-T640 PolarHBondContact O-N 3.4Å; N638-T640 WeakPolarHBondContact OD1-CB 3.38Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.45Å; N638-T640 PolarHBondContact OD1-N 3.1Å; N638-T640 PolarHBondContact OD1-OG1 2.7Å; N638-E672 PolarHBondContact ND2-OE2 3.04Å
639	S	89.8	Confident	93.1	Very high	19 Å²	19	24.2 Å²	24.2	13%	0.133	13%	0.129	C	C	.	.			trans	-77.6	14.3	-168	67.6	0	0	0	0	115	T597	T597-S639 VanDerWaalsContact CB-OG 3.32Å; T597-S639 WeakPolarHBondContact CB-OG 3.47Å; T597-S639 PolarHBondContact OG1-O 3.22Å; T597-S639 VanDerWaalsContact OG1-O 3.13Å; T597-S639 PolarHBondContact OG1-OG 3.42Å
640	T	95.1	Very high	91.8	Very high	28 Å²	28	24.5 Å²	24.5	17%	0.172	13%	0.132	C	C	.	.			trans	-101	170.6	-170.5	70.4	0	0	0	0	113.9	M633 N638 K838	M633-T640 PolarHBondContact N-O 2.92Å; N638-T640 PolarHBondContact O-N 3.4Å; N638-T640 WeakPolarHBondContact OD1-CB 3.38Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.45Å; N638-T640 PolarHBondContact OD1-N 3.1Å; N638-T640 PolarHBondContact OD1-OG1 2.7Å; T640-K838 PolarHBondContact OG1-NZ 2.8Å
641	Y	98.3	Very high	90	Very high	6 Å²	6	31.4 Å²	31.4	2%	0.024	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	161.1	-178.3	-65.7	-104.8	0	0	0	110.7	I630 A631 L635 Y802 V813 K838 F840	I630-Y641 HydrophobicContact CG2-CD1 4Å; A631-Y641 CarbonylContact O-C 3.52Å; A631-Y641 WeakPolarHBondContact O-CA 3.35Å; A631-Y641 WeakPolarHBondContact O-CB 3.47Å; L635-Y641 WeakPolarHBondContact CD1-OH 3.42Å; L635-Y641 HydrophobicContact CD2-CE2 3.9Å; Y641-Y802 HydrophobicContact CE2-CE2 4.4Å; Y641-V813 HydrophobicContact CD1-CG1 4.22Å; Y641-V813 HydrophobicContact CE1-CG1 3.75Å; Y641-K838 WeakPolarHBondContact O-CD 3.36Å; Y641-K838 WeakPolarHBondContact O-CE 3.27Å; Y641-F840 HydrophobicContact CD2-CE1 4.13Å; Y641-F840 HydrophobicContact CD2-CE2 4.28Å; Y641-F840 AromaticContact CD2-CZ 3.4Å; Y641-F840 HydrophobicContact CD2-CZ 3.4Å; Y641-F840 VanDerWaalsContact CD2-CZ 3.4Å; Y641-F840 AromaticContact CE2-CZ 3.95Å; Y641-F840 HydrophobicContact CE2-CZ 3.95Å; Y641-F840 HydrophobicContact CG-CE1 4.31Å; Y641-F840 AromaticContact CG-CZ 4Å; Y641-F840 HydrophobicContact CG-CZ 4Å
642	F	98.6	Very high	88.2	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.4	168.4	173.4	-96.6	0	0	0	108.9	I630 A631 M633 T644 K664 A665 Q668 E837	I630-F642 CarbonylContact C-O 3.39Å; I630-F642 WeakPolarHBondContact CA-O 3.15Å; A631-F642 PolarHBondContact N-O 3Å; A631-F642 PolarHBondContact O-N 2.79Å; M633-F642 HydrophobicContact CE-CB 3.31Å; M633-F642 HydrophobicContact CE-CG 4.06Å; F642-T644 HydrophobicContact CD1-CG2 4.46Å; F642-T644 HydrophobicContact CE1-CG2 3.62Å; F642-T644 HydrophobicContact CZ-CG2 4.3Å; F642-K664 HydrophobicContact CE1-CB 4.14Å; F642-K664 HydrophobicContact CZ-CB 3.86Å; F642-A665 HydrophobicContact CD1-CB 3.64Å; F642-A665 HydrophobicContact CE1-CB 3.87Å; F642-Q668 HydrophobicContact CD2-CB 4.02Å; F642-Q668 HydrophobicContact CD2-CG 3.8Å; F642-Q668 HydrophobicContact CE2-CB 4.27Å; F642-Q668 HydrophobicContact CE2-CG 4.35Å; F642-Q668 HydrophobicContact CG-CB 4.48Å; F642-Q668 HydrophobicContact CG-CG 4.44Å; F642-E837 CarbonylContact C-O 3.25Å; F642-E837 WeakPolarHBondContact CA-O 3.42Å; F642-E837 HydrophobicContact CD2-CB 3.87Å; F642-E837 HydrophobicContact CE2-CB 3.66Å; F642-E837 HydrophobicContact CE2-CG 3.97Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.34Å; F642-E837 HydrophobicContact CZ-CB 4.48Å; F642-E837 HydrophobicContact CZ-CG 4.38Å
643	S	98.2	Very high	86.3	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	127.8	-175.6	61.1	0	0	0	0	111.1	L629 E837	L629-S643 WeakPolarHBondContact O-CA 3.49Å; S643-E837 PolarHBondContact N-O 2.66Å; S643-E837 WeakPolarHBondContact O-CA 3.47Å; S643-E837 WeakPolarHBondContact O-CG 3.11Å; S643-E837 PolarHBondContact OG-O 2.83Å
644	T	97.5	Very high	84.5	Confident	8 Å²	8	40.1 Å²	40.1	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.6	-179.3	-176.3	0	0	0	0	110.2	A628 L629 F642 M661 K664	A628-T644 WeakPolarHBondContact CA-O 3.32Å; L629-T644 HydrophobicContact CB-CG2 4.14Å; L629-T644 HydrophobicContact CD2-CG2 4.32Å; L629-T644 PolarHBondContact N-O 3.22Å; L629-T644 PolarHBondContact O-N 2.73Å; F642-T644 HydrophobicContact CD1-CG2 4.46Å; F642-T644 HydrophobicContact CE1-CG2 3.62Å; F642-T644 HydrophobicContact CZ-CG2 4.3Å; T644-M661 HydrophobicContact CG2-CB 3.56Å; T644-M661 HydrophobicContact CG2-CG 3.62Å; T644-M661 HydrophobicContact CG2-SD 3.99Å; T644-K664 PolarHBondContact OG1-NZ 3.03Å; T644-K664 VanDerWaalsContact OG1-NZ 3.1Å
645	V	95.8	Very high	82.8	Confident	10 Å²	10	42.2 Å²	42.2	6%	0.061	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.3	-179.4	-168.4	0	0	0	0	109.8	Y626 G627 A628 L820 V824	Y626-V645 HydrophobicContact CD1-CG1 4.47Å; G627-V645 WeakPolarHBondContact O-CA 3.39Å; G627-V645 WeakPolarHBondContact O-CG1 3.31Å; A628-V645 HydrophobicContact CB-CG1 4.48Å; A628-V645 HydrophobicContact CB-CG2 4.05Å; V645-L820 HydrophobicContact CG2-CD1 3.71Å; V645-L820 HydrophobicContact CG2-CD2 3.52Å; V645-L820 HydrophobicContact CG2-CG 3.44Å; V645-L820 VanDerWaalsContact CG2-CG 3.44Å; V645-V824 HydrophobicContact CG1-CB 4.39Å; V645-V824 HydrophobicContact CG1-CG1 4.31Å; V645-V824 HydrophobicContact CG1-CG2 4.08Å; V645-V824 HydrophobicContact CG2-CG2 4.12Å
646	T	93.4	Very high	81.4	Confident	33 Å²	33	48 Å²	48	20%	0.202	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.2	170.5	-165.7	0	0	0	0	110.9	Y626 G627 M661	Y626-T646 WeakPolarHBondContact CA-O 3.49Å; G627-T646 PolarHBondContact N-O 3.47Å; G627-T646 PolarHBondContact O-N 3.29Å; T646-M661 HydrophobicContact CG2-CE 3.5Å; T646-M661 HydrophobicContact CG2-SD 3.74Å
647	E	90.8	Very high	81.1	Confident	66 Å²	66	45.3 Å²	45.3	31%	0.308	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	141.7	170.6	-165.2	169.2	119	0	0	109.9	R624 A625 Y626	R624-E647 VanDerWaalsContact CD-OE1 3.22Å; R624-E647 WeakPolarHBondContact CD-OE1 3.35Å; R624-E647 IonicContact CZ-OE1 2.82Å; R624-E647 IonicContact NE-OE1 2.7Å; R624-E647 IonicContact NH1-OE1 3.19Å; R624-E647 PolarHBondContact NH1-OE1 2.94Å; R624-E647 IonicContact NH1-OE2 2.79Å; A625-E647 WeakPolarHBondContact O-CA 3.47Å; Y626-E647 HydrophobicContact CD1-CB 3.97Å; Y626-E647 HydrophobicContact CD1-CG 4.08Å; Y626-E647 HydrophobicContact CE1-CB 3.69Å; Y626-E647 HydrophobicContact CE1-CG 3.56Å; Y626-E647 WeakPolarHBondContact CE1-OE2 3.48Å; Y626-E647 PolarHBondContact OH-OE2 2.99Å
648	C	84.4	Confident	81.2	Confident	15 Å²	15	40.2 Å²	40.2	10%	0.101	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	167.3	178.3	61	0	0	0	0	111.7	A625 T657	A625-C648 PolarHBondContact N-O 2.81Å; A625-C648 PolarHBondContact O-N 3.31Å; C648-T657 HydrophobicContact CB-CG2 4.47Å
649	S	79.6	Confident	81.6	Confident	50 Å²	50	39.9 Å²	39.9	35%	0.35	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.5	176.2	169.9	0	0	0	0	110.5	F651 D652 V653	S649-F651 PolarHBondContact O-N 2.89Å; S649-F651 PolarHBondContact OG-N 3.3Å; S649-D652 WeakPolarHBondContact CB-O 3.3Å; S649-D652 CarbonylContact O-C 3.51Å; S649-D652 VanDerWaalsContact O-O 3.12Å; S649-D652 PolarHBondContact OG-N 2.91Å; S649-D652 VanDerWaalsContact OG-N 3.08Å; S649-V653 WeakPolarHBondContact O-CG2 3.28Å
650	A	69.5	Low	81.8	Confident	6 Å²	6	42.2 Å²	42.2	5%	0.05	24%	0.236	C	C	.	.	S	Bend	trans	-74.3	-0.9	174.3	0	0	0	0	0	113.6	K617 R622 K623 A625	K617-A650 HydrophobicContact CD-CB 4.19Å; K617-A650 HydrophobicContact CG-CB 4.44Å; K617-A650 PolarHBondContact NZ-O 3.48Å; R622-A650 WeakPolarHBondContact O-CB 3.26Å; K623-A650 VanDerWaalsContact C-CB 3.48Å; K623-A650 VanDerWaalsContact O-CB 3.26Å; K623-A650 WeakPolarHBondContact O-CB 3.38Å; K623-A650 PolarHBondContact O-N 2.59Å; A625-A650 HydrophobicContact CB-CB 4.26Å
651	F	60.8	Low	81.9	Confident	145 Å²	145	41.1 Å²	41.1	64%	0.636	23%	0.229	S	C	*	.	S	Bend	trans	-115.5	-34.6	177.7	-54.2	-74.1	0	0	0	112.6	K623 S649	K623-F651 HydrophobicContact CB-CE2 4.05Å; K623-F651 HydrophobicContact CG-CE2 4.07Å; S649-F651 PolarHBondContact O-N 2.89Å; S649-F651 PolarHBondContact OG-N 3.3Å
652	D	61.9	Low	81.8	Confident	104 Å²	104	41 Å²	41	56%	0.556	23%	0.228	S	C	*	.			trans	-120.8	104.3	174.2	-170.5	-0.7	0	0	0	110	S649 L654	S649-D652 WeakPolarHBondContact CB-O 3.3Å; S649-D652 CarbonylContact O-C 3.51Å; S649-D652 VanDerWaalsContact O-O 3.12Å; S649-D652 PolarHBondContact OG-N 2.91Å; S649-D652 VanDerWaalsContact OG-N 3.08Å; D652-L654 PolarHBondContact OD1-N 3.16Å
653	V	57.8	Low	81.8	Confident	43 Å²	43	41.2 Å²	41.2	26%	0.261	23%	0.23	S	C	.	.			trans	-105.5	-12.7	-169.9	171.6	0	0	0	0	111.3	I615 S649	I615-V653 HydrophobicContact CD1-CG1 3.5Å; I615-V653 HydrophobicContact CG1-CG1 4.47Å; S649-V653 WeakPolarHBondContact O-CG2 3.28Å
654	L	58.6	Low	81.8	Confident	36 Å²	36	44.3 Å²	44.3	19%	0.188	24%	0.244	C	C	.	.	S	Bend	trans	-99.9	-9.2	-149.6	-73.7	167.2	0	0	0	115.6	D652 Q694 L695 F698	D652-L654 PolarHBondContact OD1-N 3.16Å; L654-Q694 HydrophobicContact CD1-CB 4.02Å; L654-L695 HydrophobicContact CD2-CD1 3.87Å; L654-F698 HydrophobicContact CB-CB 4.43Å
655	A	57.4	Low	81.8	Confident	44 Å²	44	44 Å²	44	36%	0.364	24%	0.242	S	C	.	.	S	Bend	trans	-139	164.3	-177.8	0	0	0	0	0	114.4	T657	A655-T657 VanDerWaalsContact C-N 3.29Å; A655-T657 PolarHBondContact O-N 2.88Å
656	N	64.1	Low	81.9	Confident	132 Å²	132	43.7 Å²	43.7	71%	0.706	24%	0.24	S	C	*	.	S	Bend	trans	66.8	-35.4	168.5	-59.7	-25.4	0	0	0	119	P660	N656-P660 WeakPolarHBondContact O-CD 3.41Å
657	T	80.1	Confident	82.2	Confident	42 Å²	42	49.1 Å²	49.1	26%	0.258	26%	0.257	S	S	.	.	S	Bend	trans	-91.1	-21.6	-174.7	62.3	0	0	0	0	115.1	C648 A655	C648-T657 HydrophobicContact CB-CG2 4.47Å; A655-T657 VanDerWaalsContact C-N 3.29Å; A655-T657 PolarHBondContact O-N 2.88Å
658	L	89.3	Confident	82.5	Confident	15 Å²	15	48.3 Å²	48.3	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-71.3	-45.8	-179.2	176.5	56.7	0	0	0	112.7	F613 L629 M661 I662 F682 E699 I703	F613-L658 HydrophobicContact CD1-CD1 4.01Å; F613-L658 HydrophobicContact CD1-CD2 4.44Å; F613-L658 HydrophobicContact CD2-CD1 3.99Å; F613-L658 HydrophobicContact CE1-CD1 4.03Å; F613-L658 HydrophobicContact CE1-CD2 4.42Å; F613-L658 HydrophobicContact CE2-CD1 4.03Å; F613-L658 HydrophobicContact CG-CD1 4.02Å; F613-L658 HydrophobicContact CZ-CD1 4.05Å; L629-L658 HydrophobicContact CD1-CD1 3.86Å; L658-M661 HydrophobicContact CD1-CE 4.19Å; L658-M661 WeakPolarHBondContact O-CB 3.18Å; L658-M661 PolarHBondContact O-N 3.46Å; L658-M661 VanDerWaalsContact O-N 3.09Å; L658-I662 HydrophobicContact CD1-CD1 4.27Å; L658-I662 HydrophobicContact CD1-CG1 4.38Å; L658-I662 HydrophobicContact CG-CD1 4Å; L658-I662 PolarHBondContact O-N 2.8Å; L658-F682 HydrophobicContact CD1-CE2 4.45Å; L658-F682 HydrophobicContact CD1-CZ 4.14Å; L658-F682 HydrophobicContact CD2-CZ 4.15Å; L658-E699 HydrophobicContact CD2-CG 4.17Å; L658-I703 HydrophobicContact CD2-CD1 4.02Å
659	W	93.4	Very high	83.2	Confident	31 Å²	31	47.6 Å²	47.6	12%	0.117	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-45.7	-173.5	175.5	-100.6	0	0	0	114.6	M661 I662 A663 L666 K706 L707 E710	W659-M661 PolarHBondContact O-N 3.49Å; W659-M661 VanDerWaalsContact O-N 3.12Å; W659-I662 HydrophobicContact CE3-CB 4.19Å; W659-I662 HydrophobicContact CE3-CD1 4.27Å; W659-I662 HydrophobicContact CE3-CG2 4.27Å; W659-I662 HydrophobicContact CH2-CG2 4.35Å; W659-I662 HydrophobicContact CZ3-CB 4.28Å; W659-I662 HydrophobicContact CZ3-CG2 3.85Å; W659-I662 WeakPolarHBondContact O-CB 3.43Å; W659-I662 PolarHBondContact O-N 3.18Å; W659-A663 HydrophobicContact CZ2-CB 4.23Å; W659-A663 PolarHBondContact O-N 3.24Å; W659-L666 HydrophobicContact CH2-CD1 4.36Å; W659-K706 HydrophobicContact CB-CD 4.13Å; W659-K706 HydrophobicContact CD2-CB 3.66Å; W659-K706 HydrophobicContact CD2-CD 3.56Å; W659-K706 HydrophobicContact CD2-CG 4.24Å; W659-K706 HydrophobicContact CE3-CB 3.64Å; W659-K706 HydrophobicContact CE3-CD 4.09Å; W659-K706 HydrophobicContact CG-CB 4.49Å; W659-K706 HydrophobicContact CG-CD 3.49Å; W659-K706 VanDerWaalsContact CG-CD 3.49Å; W659-K706 VanDerWaalsContact CH2-C 3.46Å; W659-K706 HydrophobicContact CH2-CB 3.58Å; W659-K706 WeakPolarHBondContact CH2-O 3.37Å; W659-K706 HydrophobicContact CZ2-CB 3.58Å; W659-K706 HydrophobicContact CZ3-CB 3.6Å; W659-L707 HydrophobicContact CH2-CD2 4.29Å; W659-L707 HydrophobicContact CH2-CG 4.38Å; W659-L707 HydrophobicContact CZ3-CD2 4.41Å; W659-L707 HydrophobicContact CZ3-CG 4.22Å; W659-E710 HydrophobicContact CH2-CG 3.94Å; W659-E710 HydrophobicContact CZ2-CG 3.47Å; W659-E710 VanDerWaalsContact CZ2-CG 3.47Å
660	P	94.4	Very high	84	Confident	69 Å²	69	48.6 Å²	48.6	45%	0.448	25%	0.247	S	C	.	.	H	α-helix	trans	-54.5	-32.2	175.7	-28.8	36.3	0	0	0	114.2	N656 K664	N656-P660 WeakPolarHBondContact O-CD 3.41Å; P660-K664 WeakPolarHBondContact O-CG 3.49Å; P660-K664 PolarHBondContact O-N 3.31Å
661	M	96.2	Very high	85.3	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-72.7	-37.4	176.7	-66.3	-172.1	-69.3	0	0	112.4	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 4.21Å; L629-M661 HydrophobicContact CB-CB 3.96Å; L629-M661 HydrophobicContact CB-CE 4.33Å; L629-M661 HydrophobicContact CB-SD 4.06Å; L629-M661 HydrophobicContact CD1-CB 3.96Å; L629-M661 HydrophobicContact CG-CB 4.38Å; T644-M661 HydrophobicContact CG2-CB 3.56Å; T644-M661 HydrophobicContact CG2-CG 3.62Å; T644-M661 HydrophobicContact CG2-SD 3.99Å; T646-M661 HydrophobicContact CG2-CE 3.5Å; T646-M661 HydrophobicContact CG2-SD 3.74Å; L658-M661 HydrophobicContact CD1-CE 4.19Å; L658-M661 WeakPolarHBondContact O-CB 3.18Å; L658-M661 PolarHBondContact O-N 3.46Å; L658-M661 VanDerWaalsContact O-N 3.09Å; W659-M661 PolarHBondContact O-N 3.49Å; W659-M661 VanDerWaalsContact O-N 3.12Å; M661-A665 WeakPolarHBondContact O-CB 3.4Å; M661-A665 PolarHBondContact O-N 2.99Å; M661-A665 VanDerWaalsContact O-N 3.1Å
662	I	97.3	Very high	87	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-47	172.9	-61.6	171.5	0	0	0	109.8	L629 L658 W659 K664 A665 L666 F682 I703	L629-I662 HydrophobicContact CD1-CG1 3.64Å; L658-I662 HydrophobicContact CD1-CD1 4.27Å; L658-I662 HydrophobicContact CD1-CG1 4.38Å; L658-I662 HydrophobicContact CG-CD1 4Å; L658-I662 PolarHBondContact O-N 2.8Å; W659-I662 HydrophobicContact CE3-CB 4.19Å; W659-I662 HydrophobicContact CE3-CD1 4.27Å; W659-I662 HydrophobicContact CE3-CG2 4.27Å; W659-I662 HydrophobicContact CH2-CG2 4.35Å; W659-I662 HydrophobicContact CZ3-CB 4.28Å; W659-I662 HydrophobicContact CZ3-CG2 3.85Å; W659-I662 WeakPolarHBondContact O-CB 3.43Å; W659-I662 PolarHBondContact O-N 3.18Å; I662-K664 PolarHBondContact O-N 2.88Å; I662-A665 PolarHBondContact O-N 3.39Å; I662-A665 VanDerWaalsContact O-N 3.12Å; I662-L666 HydrophobicContact CG2-CD1 3.98Å; I662-L666 HydrophobicContact CG2-CG 4.33Å; I662-L666 WeakPolarHBondContact O-CG 3.5Å; I662-L666 PolarHBondContact O-N 3.21Å; I662-F682 HydrophobicContact CD1-CE2 4Å; I662-F682 HydrophobicContact CG1-CE2 4.38Å; I662-I703 HydrophobicContact CD1-CD1 3.75Å; I662-I703 HydrophobicContact CD1-CG1 3.73Å
663	A	97.3	Very high	88.6	Confident	7 Å²	7	46 Å²	46	6%	0.058	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-41.7	178.7	0	0	0	0	0	112.7	W659 L666 R667	W659-A663 HydrophobicContact CZ2-CB 4.23Å; W659-A663 PolarHBondContact O-N 3.24Å; A663-L666 PolarHBondContact O-N 3.06Å; A663-R667 VanDerWaalsContact O-CG 3.27Å; A663-R667 WeakPolarHBondContact O-CG 3.39Å; A663-R667 PolarHBondContact O-N 2.96Å
664	K	97.8	Very high	90.4	Very high	68 Å²	68	53.5 Å²	53.5	30%	0.296	26%	0.256	S	S	.	.	H	α-helix	trans	-59.2	-45.9	171.3	-76.1	176.2	71.1	-169.6	0	111.7	F642 T644 P660 I662 R667 Q668 E837	F642-K664 HydrophobicContact CE1-CB 4.14Å; F642-K664 HydrophobicContact CZ-CB 3.86Å; T644-K664 PolarHBondContact OG1-NZ 3.03Å; T644-K664 VanDerWaalsContact OG1-NZ 3.1Å; P660-K664 WeakPolarHBondContact O-CG 3.49Å; P660-K664 PolarHBondContact O-N 3.31Å; I662-K664 PolarHBondContact O-N 2.88Å; K664-R667 PolarHBondContact O-N 3.41Å; K664-Q668 PolarHBondContact O-N 3.44Å; K664-E837 VanDerWaalsContact CE-OE1 3.25Å; K664-E837 WeakPolarHBondContact CE-OE1 3.44Å; K664-E837 IonicContact NZ-OE1 3.13Å; K664-E837 PolarHBondContact NZ-OE1 2.66Å
665	A	98.4	Very high	92.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-38.3	-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 4.14Å; A631-A665 HydrophobicContact CB-CB 3.88Å; M633-A665 WeakPolarHBondContact CE-O 3.4Å; F642-A665 HydrophobicContact CD1-CB 3.64Å; F642-A665 HydrophobicContact CE1-CB 3.87Å; M661-A665 WeakPolarHBondContact O-CB 3.4Å; M661-A665 PolarHBondContact O-N 2.99Å; M661-A665 VanDerWaalsContact O-N 3.1Å; I662-A665 PolarHBondContact O-N 3.39Å; I662-A665 VanDerWaalsContact O-N 3.12Å; A665-Q668 PolarHBondContact O-N 2.86Å; A665-Y669 WeakPolarHBondContact O-CB 3.43Å; A665-Y669 PolarHBondContact O-N 2.98Å
666	L	98.5	Very high	94.1	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-43.6	173.9	-72.3	170.2	0	0	0	111.9	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 4.36Å; I662-L666 HydrophobicContact CG2-CD1 3.98Å; I662-L666 HydrophobicContact CG2-CG 4.33Å; I662-L666 WeakPolarHBondContact O-CG 3.5Å; I662-L666 PolarHBondContact O-N 3.21Å; A663-L666 PolarHBondContact O-N 3.06Å; L666-Y669 WeakPolarHBondContact O-CB 3.37Å; L666-Y669 PolarHBondContact O-N 3.37Å; L666-Q670 WeakPolarHBondContact O-CB 3.38Å; L666-Q670 PolarHBondContact O-N 3.14Å; L666-L676 HydrophobicContact CB-CD2 4.16Å; L666-L676 HydrophobicContact CD2-CD2 4.39Å; L666-P677 HydrophobicContact CD2-CG 3.78Å; L666-I680 HydrophobicContact CD2-CD1 4.07Å; L666-L707 HydrophobicContact CD1-CD2 3.78Å; L666-Y711 HydrophobicContact CD1-CE2 4.42Å; L666-Y711 HydrophobicContact CD2-CE2 4.3Å
667	R	98	Very high	95.7	Very high	148 Å²	148	48.4 Å²	48.4	56%	0.558	22%	0.218	S	C	*	.	H	α-helix	trans	-63.4	-41	176.1	-69.8	169.2	-168.7	-176.1	3.5	111.9	A663 K664 Q670 H671 E710	A663-R667 VanDerWaalsContact O-CG 3.27Å; A663-R667 WeakPolarHBondContact O-CG 3.39Å; A663-R667 PolarHBondContact O-N 2.96Å; K664-R667 PolarHBondContact O-N 3.41Å; R667-Q670 PolarHBondContact O-N 3.26Å; R667-H671 WeakPolarHBondContact O-CB 3.26Å; R667-H671 PolarHBondContact O-N 3.49Å; R667-E710 IonicContact NH2-OE1 3.68Å
668	Q	98.1	Very high	96.6	Very high	48 Å²	48	49.8 Å²	49.8	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-65.3	-41	175.6	-172.1	62.4	31.4	0	0	111.8	M633 F642 K664 A665 H671 E672 K838	M633-Q668 HydrophobicContact CE-CB 3.92Å; M633-Q668 HydrophobicContact CE-CG 3.96Å; F642-Q668 HydrophobicContact CD2-CB 4.02Å; F642-Q668 HydrophobicContact CD2-CG 3.8Å; F642-Q668 HydrophobicContact CE2-CB 4.27Å; F642-Q668 HydrophobicContact CE2-CG 4.35Å; F642-Q668 HydrophobicContact CG-CB 4.48Å; F642-Q668 HydrophobicContact CG-CG 4.44Å; K664-Q668 PolarHBondContact O-N 3.44Å; A665-Q668 PolarHBondContact O-N 2.86Å; Q668-H671 PolarHBondContact O-N 3.18Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.43Å; Q668-E672 PolarHBondContact NE2-OE1 3.07Å; Q668-E672 PolarHBondContact O-N 3.31Å; Q668-E672 VanDerWaalsContact O-N 3.09Å; Q668-K838 HydrophobicContact CG-CD 4.15Å
669	Y	98	Very high	97	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-58.8	-49.6	173	-171.4	-71.7	0	0	0	110.7	G607 M609 M633 D634 A665 L666 H671 E672 H673 K675 P677	G607-Y669 WeakPolarHBondContact CA-OH 3.4Å; M609-Y669 HydrophobicContact CB-CD2 4.31Å; M609-Y669 HydrophobicContact CB-CE2 4.26Å; M609-Y669 HydrophobicContact CG-CD2 4.44Å; M633-Y669 WeakPolarHBondContact SD-CA 3.44Å; M633-Y669 VanDerWaalsContact SD-CB 3.5Å; M633-Y669 HydrophobicContact SD-CD2 3.6Å; M633-Y669 HydrophobicContact SD-CG 3.93Å; D634-Y669 HydrophobicContact CB-CE2 3.97Å; D634-Y669 WeakPolarHBondContact CB-OH 3.36Å; D634-Y669 PolarHBondContact OD2-OH 2.86Å; A665-Y669 WeakPolarHBondContact O-CB 3.43Å; A665-Y669 PolarHBondContact O-N 2.98Å; L666-Y669 WeakPolarHBondContact O-CB 3.37Å; L666-Y669 PolarHBondContact O-N 3.37Å; Y669-H671 VanDerWaalsContact C-N 3.3Å; Y669-H671 PolarHBondContact O-N 2.93Å; Y669-E672 PolarHBondContact O-N 2.7Å; Y669-H673 HydrophobicContact CD1-CB 4.1Å; Y669-H673 HydrophobicContact CE1-CB 3.86Å; Y669-H673 AromaticContact CE1-CD2 3.96Å; Y669-H673 WeakPolarHBondContact O-CB 3.39Å; Y669-H673 PolarHBondContact O-N 3.35Å; Y669-K675 WeakPolarHBondContact CD1-O 3.48Å; Y669-K675 HydrophobicContact CE1-CG 4.45Å; Y669-K675 WeakPolarHBondContact CE1-O 3.47Å; Y669-P677 HydrophobicContact CD1-CB 4.28Å; Y669-P677 HydrophobicContact CD1-CG 4.23Å; Y669-P677 HydrophobicContact CD2-CB 4.21Å; Y669-P677 HydrophobicContact CD2-CG 4.28Å; Y669-P677 HydrophobicContact CE1-CB 3.87Å; Y669-P677 HydrophobicContact CE1-CG 4.3Å; Y669-P677 HydrophobicContact CE2-CB 3.77Å; Y669-P677 HydrophobicContact CE2-CG 4.34Å; Y669-P677 HydrophobicContact CG-CB 4.45Å; Y669-P677 HydrophobicContact CG-CG 4.23Å
670	Q	97.1	Very high	97.2	Very high	71 Å²	71	51 Å²	51	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-63.5	-34	178.9	-167.5	-177.2	4.9	0	0	112.8	L666 R667 R674 K675 L676	L666-Q670 WeakPolarHBondContact O-CB 3.38Å; L666-Q670 PolarHBondContact O-N 3.14Å; R667-Q670 PolarHBondContact O-N 3.26Å; Q670-R674 WeakPolarHBondContact O-CA 3.34Å; Q670-R674 PolarHBondContact O-N 3.38Å; Q670-K675 WeakPolarHBondContact CA-O 3.45Å; Q670-L676 HydrophobicContact CB-CD2 4.06Å; Q670-L676 HydrophobicContact CG-CD2 4.48Å
671	H	96.9	Very high	97.4	Very high	117 Å²	117	47.8 Å²	47.8	54%	0.542	21%	0.212	S	C	.	.	H	α-helix	trans	-65	-45.9	175.4	-175.9	91.4	0	0	0	111.8	R667 Q668 Y669	R667-H671 WeakPolarHBondContact O-CB 3.26Å; R667-H671 PolarHBondContact O-N 3.49Å; Q668-H671 PolarHBondContact O-N 3.18Å; Y669-H671 VanDerWaalsContact C-N 3.3Å; Y669-H671 PolarHBondContact O-N 2.93Å
672	E	96.1	Very high	97.5	Very high	58 Å²	58	47.6 Å²	47.6	27%	0.271	21%	0.212	S	C	.	.	H	α-helix	trans	-73.9	-38.4	-179.9	-73.9	172.1	-134.9	0	0	113.1	N638 Q668 Y669 K838	N638-E672 PolarHBondContact ND2-OE2 3.04Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.43Å; Q668-E672 PolarHBondContact NE2-OE1 3.07Å; Q668-E672 PolarHBondContact O-N 3.31Å; Q668-E672 VanDerWaalsContact O-N 3.09Å; Y669-E672 PolarHBondContact O-N 2.7Å; E672-K838 WeakPolarHBondContact OE1-CD 3.4Å; E672-K838 VanDerWaalsContact OE1-CE 3.26Å; E672-K838 WeakPolarHBondContact OE1-CE 3.3Å; E672-K838 IonicContact OE1-NZ 2.79Å; E672-K838 PolarHBondContact OE1-NZ 2.69Å; E672-K838 IonicContact OE2-NZ 3.62Å; E672-K838 PolarHBondContact OE2-NZ 2.86Å
673	H	95.8	Very high	97.6	Very high	26 Å²	26	47.5 Å²	47.5	12%	0.12	21%	0.211	C	C	.	.	H	α-helix	trans	-106.7	-3.9	-170.6	-73	-76.8	0	0	0	115.3	M633 Y669 K675	M633-H673 PolarHBondContact O-CE1 2.88Å; M633-H673 PolarHBondContact O-NE2 3.07Å; Y669-H673 HydrophobicContact CD1-CB 4.1Å; Y669-H673 HydrophobicContact CE1-CB 3.86Å; Y669-H673 AromaticContact CE1-CD2 3.96Å; Y669-H673 WeakPolarHBondContact O-CB 3.39Å; Y669-H673 PolarHBondContact O-N 3.35Å; H673-K675 HydrophobicContact CB-CG 4.08Å; H673-K675 WeakPolarHBondContact O-CG 3.34Å; H673-K675 PolarHBondContact O-N 2.92Å
674	R	96.3	Very high	97.4	Very high	201 Å²	201	47.6 Å²	47.6	76%	0.758	21%	0.21	S	C	*	.	S	Bend	trans	57.1	8.5	-173.9	-51.4	-55.2	-176.5	175.3	-0.9	115.7	Q670	Q670-R674 WeakPolarHBondContact O-CA 3.34Å; Q670-R674 PolarHBondContact O-N 3.38Å
675	K	95.8	Very high	96.9	Very high	90 Å²	90	44.6 Å²	44.6	39%	0.391	20%	0.197	S	C	.	.	S	Bend	trans	-143.4	153.3	-178.9	68.9	-157.9	172.1	-168.7	0	109.6	Q637 Y669 Q670 H673	Q637-K675 VanDerWaalsContact OE1-NZ 3.1Å; Y669-K675 WeakPolarHBondContact CD1-O 3.48Å; Y669-K675 HydrophobicContact CE1-CG 4.45Å; Y669-K675 WeakPolarHBondContact CE1-O 3.47Å; Q670-K675 WeakPolarHBondContact CA-O 3.45Å; H673-K675 HydrophobicContact CB-CG 4.08Å; H673-K675 WeakPolarHBondContact O-CG 3.34Å; H673-K675 PolarHBondContact O-N 2.92Å
676	L	98	Very high	95.7	Very high	14 Å²	14	47.3 Å²	47.3	7%	0.073	23%	0.225	C	C	.	.			trans	-75.4	157.5	168	-74.1	175.8	0	0	0	111	L666 Q670 S678 Y711 V714	L666-L676 HydrophobicContact CB-CD2 4.16Å; L666-L676 HydrophobicContact CD2-CD2 4.39Å; Q670-L676 HydrophobicContact CB-CD2 4.06Å; Q670-L676 HydrophobicContact CG-CD2 4.48Å; L676-S678 PolarHBondContact O-N 3.39Å; L676-Y711 HydrophobicContact CB-CD1 4.32Å; L676-Y711 HydrophobicContact CB-CE1 3.64Å; L676-Y711 HydrophobicContact CD1-CD1 3.85Å; L676-Y711 HydrophobicContact CD1-CD2 3.83Å; L676-Y711 HydrophobicContact CD1-CE1 3.86Å; L676-Y711 HydrophobicContact CD1-CE2 3.85Å; L676-Y711 HydrophobicContact CD1-CG 3.84Å; L676-Y711 HydrophobicContact CG-CE1 4.37Å; L676-V714 HydrophobicContact CD1-CG2 3.52Å; L676-V714 HydrophobicContact CG-CG2 4.43Å
677	P	97.9	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.			trans	-69.4	130.3	176.9	24.5	-28.5	0	0	0	111.2	G607 M609 L666 Y669 R679 I680 Y711	G607-P677 CarbonylContact O-C 3.55Å; G607-P677 WeakPolarHBondContact O-CB 3.49Å; M609-P677 HydrophobicContact CB-CB 3.68Å; M609-P677 HydrophobicContact CB-CG 3.81Å; M609-P677 HydrophobicContact CG-CG 4.42Å; M609-P677 HydrophobicContact SD-CG 3.79Å; L666-P677 HydrophobicContact CD2-CG 3.78Å; Y669-P677 HydrophobicContact CD1-CB 4.28Å; Y669-P677 HydrophobicContact CD1-CG 4.23Å; Y669-P677 HydrophobicContact CD2-CB 4.21Å; Y669-P677 HydrophobicContact CD2-CG 4.28Å; Y669-P677 HydrophobicContact CE1-CB 3.87Å; Y669-P677 HydrophobicContact CE1-CG 4.3Å; Y669-P677 HydrophobicContact CE2-CB 3.77Å; Y669-P677 HydrophobicContact CE2-CG 4.34Å; Y669-P677 HydrophobicContact CG-CB 4.45Å; Y669-P677 HydrophobicContact CG-CG 4.23Å; P677-R679 PolarHBondContact O-N 3.13Å; P677-I680 HydrophobicContact CG-CD1 4.49Å; P677-I680 HydrophobicContact CG-CG1 4.28Å; P677-Y711 WeakPolarHBondContact CD-OH 3.48Å; P677-Y711 WeakPolarHBondContact CG-OH 3.21Å; P677-Y711 PolarHBondContact O-OH 3.21Å
678	S	97.2	Very high	93.3	Very high	72 Å²	72	44 Å²	44	50%	0.503	22%	0.224	S	C	.	.	S	Bend	trans	-68.1	-22.4	175.2	-44.7	0	0	0	0	112.7	G607 L676 Q720	G607-S678 PolarHBondContact O-N 2.85Å; G607-S678 VanDerWaalsContact O-N 3.07Å; L676-S678 PolarHBondContact O-N 3.39Å; S678-Q720 PolarHBondContact O-N 3.12Å
679	R	97.9	Very high	91.8	Very high	69 Å²	69	46 Å²	46	26%	0.26	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134	-172.9	-56.4	-176.1	176.2	104.4	1	111.4	S606 G607 L608 M609 P677 Q720 M783	S606-R679 PolarHBondContact O-NH1 2.64Å; G607-R679 PolarHBondContact O-N 3.45Å; L608-R679 HydrophobicContact CD1-CB 3.88Å; M609-R679 PolarHBondContact N-O 3.48Å; P677-R679 PolarHBondContact O-N 3.13Å; R679-Q720 CarbonylContact C-O 3.22Å; R679-Q720 WeakPolarHBondContact CA-O 3.16Å; R679-Q720 HydrophobicContact CG-CB 4.23Å; R679-M783 HydrophobicContact CB-CE 4.13Å; R679-M783 HydrophobicContact CB-SD 4.24Å; R679-M783 HydrophobicContact CG-CE 4.45Å
680	I	98.6	Very high	90.3	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.015	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.5	177	-55.4	-178.8	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 3.49Å; M609-I680 HydrophobicContact SD-CD1 4.48Å; M609-I680 HydrophobicContact SD-CG1 4.46Å; I611-I680 HydrophobicContact CD1-CG2 3.75Å; I611-I680 HydrophobicContact CG1-CG2 4.26Å; L666-I680 HydrophobicContact CD2-CD1 4.07Å; P677-I680 HydrophobicContact CG-CD1 4.49Å; P677-I680 HydrophobicContact CG-CG1 4.28Å; I680-L707 HydrophobicContact CD1-CD1 4.17Å; I680-L707 HydrophobicContact CD1-CD2 3.74Å; I680-P719 HydrophobicContact CD1-CB 4.31Å; I680-P719 HydrophobicContact CD1-CG 3.75Å; I680-P719 HydrophobicContact CG1-CB 4.3Å; I680-P719 HydrophobicContact CG1-CG 4.24Å; I680-Q720 PolarHBondContact N-O 3.28Å; I680-L721 HydrophobicContact CB-CD1 3.99Å; I680-L721 HydrophobicContact CG2-CD1 3.88Å; I680-L721 CarbonylContact O-C 3.51Å; I680-L721 WeakPolarHBondContact O-CA 3.46Å; I680-A722 PolarHBondContact O-N 3.28Å
681	V	98.7	Very high	89.2	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	111.1	171	177.1	0	0	0	0	108.7	L608 M609 T610 I611 Y683 A722 I724 M783 L793	L608-V681 HydrophobicContact CD1-CB 4.37Å; L608-V681 HydrophobicContact CD1-CG2 3.84Å; M609-V681 PolarHBondContact O-N 2.92Å; T610-V681 CarbonylContact C-O 3.44Å; T610-V681 WeakPolarHBondContact CA-O 3.41Å; I611-V681 PolarHBondContact N-O 3.23Å; V681-Y683 HydrophobicContact CG1-CD2 4.12Å; V681-Y683 HydrophobicContact CG1-CE1 4.41Å; V681-Y683 HydrophobicContact CG1-CE2 3.52Å; V681-A722 HydrophobicContact CG2-CB 4.47Å; V681-I724 HydrophobicContact CG1-CD1 4.01Å; V681-M783 HydrophobicContact CG2-CE 3.75Å; V681-M783 HydrophobicContact CG2-SD 4.18Å; V681-L793 HydrophobicContact CG2-CD2 4.09Å
682	F	98.4	Very high	88.5	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.4	-175	-167.1	-71.9	0	0	0	110.5	I611 F613 L629 L658 I662 R684 I703 A722 Y723 I724	I611-F682 HydrophobicContact CB-CD2 3.77Å; I611-F682 HydrophobicContact CB-CE2 4.28Å; I611-F682 HydrophobicContact CB-CG 4.32Å; I611-F682 HydrophobicContact CD1-CD2 4.11Å; I611-F682 HydrophobicContact CG2-CD2 3.57Å; I611-F682 HydrophobicContact CG2-CE2 3.54Å; I611-F682 HydrophobicContact CG2-CG 4.38Å; I611-F682 HydrophobicContact CG2-CZ 4.33Å; F613-F682 HydrophobicContact CB-CE1 3.94Å; F613-F682 HydrophobicContact CB-CZ 3.66Å; F613-F682 HydrophobicContact CD1-CZ 4.49Å; F613-F682 HydrophobicContact CG-CZ 4.3Å; L629-F682 HydrophobicContact CD1-CE2 4.38Å; L658-F682 HydrophobicContact CD1-CE2 4.45Å; L658-F682 HydrophobicContact CD1-CZ 4.14Å; L658-F682 HydrophobicContact CD2-CZ 4.15Å; I662-F682 HydrophobicContact CD1-CE2 4Å; I662-F682 HydrophobicContact CG1-CE2 4.38Å; F682-R684 HydrophobicContact CD1-CB 4.4Å; F682-R684 HydrophobicContact CE1-CB 4.15Å; F682-I703 HydrophobicContact CE2-CD1 4.45Å; F682-A722 PolarHBondContact N-O 3.29Å; F682-Y723 HydrophobicContact CB-CD2 4.16Å; F682-Y723 AromaticContact CD1-CD2 3.74Å; F682-Y723 HydrophobicContact CD1-CD2 3.74Å; F682-Y723 AromaticContact CD1-CE2 3.51Å; F682-Y723 HydrophobicContact CD1-CE2 3.51Å; F682-Y723 HydrophobicContact CD1-CG 4.48Å; F682-Y723 HydrophobicContact CE1-CD2 4.38Å; F682-Y723 AromaticContact CE1-CE2 3.7Å; F682-Y723 HydrophobicContact CE1-CE2 3.7Å; F682-Y723 HydrophobicContact CG-CD2 4.01Å; F682-Y723 HydrophobicContact CG-CE2 4.14Å; F682-Y723 HydrophobicContact CZ-CE2 4.43Å; F682-I724 PolarHBondContact O-N 2.89Å
683	Y	98.4	Very high	87.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	118.1	176.2	-66	-79	0	0	0	111.9	T610 I611 G612 F613 V681 I724 V726 Y776 T794 M797 P811 V813 C814	T610-Y683 HydrophobicContact CG2-CD2 3.72Å; T610-Y683 HydrophobicContact CG2-CE2 3.57Å; I611-Y683 PolarHBondContact O-N 2.83Å; G612-Y683 WeakPolarHBondContact CA-O 3.5Å; F613-Y683 PolarHBondContact N-O 2.57Å; V681-Y683 HydrophobicContact CG1-CD2 4.12Å; V681-Y683 HydrophobicContact CG1-CE1 4.41Å; V681-Y683 HydrophobicContact CG1-CE2 3.52Å; Y683-I724 WeakPolarHBondContact CA-O 3.43Å; Y683-I724 HydrophobicContact CD1-CB 3.96Å; Y683-I724 HydrophobicContact CD1-CD1 4.23Å; Y683-I724 HydrophobicContact CD1-CG2 4.17Å; Y683-I724 HydrophobicContact CE1-CB 4.26Å; Y683-I724 HydrophobicContact CE1-CD1 3.7Å; Y683-I724 HydrophobicContact CE1-CG2 4.3Å; Y683-V726 HydrophobicContact CD1-CG2 3.78Å; Y683-V726 HydrophobicContact CG-CG2 4.3Å; Y683-Y776 HydrophobicContact CD1-CD1 4.49Å; Y683-Y776 HydrophobicContact CE1-CD1 4.36Å; Y683-Y776 HydrophobicContact CE1-CE1 4.45Å; Y683-T794 HydrophobicContact CE1-CG2 4.05Å; Y683-T794 WeakPolarHBondContact OH-CA 3.41Å; Y683-T794 PolarHBondContact OH-OG1 2.69Å; Y683-M797 HydrophobicContact CE2-CG 4.49Å; Y683-P811 HydrophobicContact CD1-CG 3.86Å; Y683-P811 HydrophobicContact CD2-CB 4.12Å; Y683-P811 HydrophobicContact CD2-CG 4.21Å; Y683-P811 HydrophobicContact CE1-CG 3.89Å; Y683-P811 HydrophobicContact CE2-CB 4.23Å; Y683-P811 HydrophobicContact CE2-CG 4.24Å; Y683-P811 HydrophobicContact CG-CB 4.33Å; Y683-P811 HydrophobicContact CG-CG 4.02Å; Y683-V813 HydrophobicContact CD2-CG2 4.04Å; Y683-C814 WeakPolarHBondContact CB-SG 3.47Å
684	R	94.3	Very high	87.2	Confident	8 Å²	8	47.1 Å²	47.1	3%	0.03	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	103.9	-176.8	-175.9	74.4	166.5	83.9	-6	111	F682 V687 L695 E699 Y723 I724 V725 V726	F682-R684 HydrophobicContact CD1-CB 4.4Å; F682-R684 HydrophobicContact CE1-CB 4.15Å; R684-V687 HydrophobicContact CG-CG2 3.54Å; R684-L695 HydrophobicContact CG-CD2 4.38Å; R684-E699 IonicContact CZ-OE1 3.87Å; R684-E699 VanDerWaalsContact CZ-OE1 3.31Å; R684-E699 IonicContact CZ-OE2 2.85Å; R684-E699 IonicContact NE-OE1 2.74Å; R684-E699 PolarHBondContact NE-OE1 2.75Å; R684-E699 IonicContact NE-OE2 2.66Å; R684-E699 PolarHBondContact NE-OE2 2.98Å; R684-E699 IonicContact NH2-OE1 2.73Å; R684-E699 PolarHBondContact NH2-OE1 3.25Å; R684-E699 IonicContact NH2-OE2 3.97Å; R684-Y723 HydrophobicContact CB-CE1 4.01Å; R684-Y723 VanDerWaalsContact CD-OH 3.32Å; R684-Y723 WeakPolarHBondContact CD-OH 3.19Å; R684-Y723 HydrophobicContact CG-CE1 4.41Å; R684-Y723 VanDerWaalsContact CG-OH 3.27Å; R684-Y723 WeakPolarHBondContact CG-OH 3.33Å; R684-I724 PolarHBondContact N-O 2.82Å; R684-V725 HydrophobicContact CB-CG2 4.37Å; R684-V726 PolarHBondContact O-N 2.63Å
685	D	87.3	Confident	86.7	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.032	23%	0.233	C	C	.	.			trans	-83.7	168.6	171.3	-159.2	-15.5	0	0	0	110	F613 D614 V687 R728 C814	F613-D685 PolarHBondContact O-N 3.11Å; F613-D685 VanDerWaalsContact O-N 3.09Å; D614-D685 HydrophobicContact CB-CB 4.32Å; D685-V687 PolarHBondContact O-N 2.97Å; D685-R728 IonicContact OD1-NE 3.72Å; D685-R728 PolarHBondContact OD1-NE 2.9Å; D685-R728 IonicContact OD2-CZ 2.86Å; D685-R728 VanDerWaalsContact OD2-CZ 3.24Å; D685-R728 IonicContact OD2-NE 3.72Å; D685-R728 PolarHBondContact OD2-NE 3.2Å; D685-R728 IonicContact OD2-NH2 2.66Å; D685-R728 PolarHBondContact OD2-NH2 3.04Å; D685-C814 HydrophobicContact CB-CB 4.3Å
686	G	72.6	Confident	86.3	Confident	56 Å²	56	35.2 Å²	35.2	58%	0.577	22%	0.223	S	C	*	.	S	Bend	trans	79.9	1.6	167	0	0	0	0	0	117.7
687	V	76.7	Confident	85.7	Confident	18 Å²	18	38.4 Å²	38.4	11%	0.109	24%	0.238	C	C	.	.			trans	-83.4	140.8	-177.7	-179.9	0	0	0	0	112.2	R684 D685 L692 L695 V725	R684-V687 HydrophobicContact CG-CG2 3.54Å; D685-V687 PolarHBondContact O-N 2.97Å; V687-L692 HydrophobicContact CG1-CD2 4.1Å; V687-L695 HydrophobicContact CG1-CD1 4.24Å; V687-L695 HydrophobicContact CG1-CD2 4.21Å; V687-L695 HydrophobicContact CG2-CD1 3.71Å; V687-L695 HydrophobicContact CG2-CD2 4.1Å; V687-V725 HydrophobicContact CB-CG1 4.08Å
688	S	69.1	Low	85.1	Confident	65 Å²	65	43.9 Å²	43.9	46%	0.455	26%	0.262	S	S	.	.			trans	-83.9	145.1	173.2	105	0	0	0	0	111.6	G690 S691	S688-G690 PolarHBondContact O-N 3.5Å; S688-G690 VanDerWaalsContact O-N 3.16Å; S688-G690 PolarHBondContact OG-N 2.93Å; S688-S691 WeakPolarHBondContact O-CB 3.38Å; S688-S691 PolarHBondContact O-N 3.02Å; S688-S691 PolarHBondContact OG-OG 2.68Å
689	S	66.3	Low	84.7	Confident	89 Å²	89	40.7 Å²	40.7	62%	0.622	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22	-179.7	53.4	0	0	0	0	114.2	S691	S689-S691 VanDerWaalsContact C-N 3.33Å
690	G	66.9	Low	84.4	Confident	66 Å²	66	37.4 Å²	37.4	68%	0.68	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-4.1	173.7	0	0	0	0	0	114.6	S688	S688-G690 PolarHBondContact O-N 3.5Å; S688-G690 VanDerWaalsContact O-N 3.16Å; S688-G690 PolarHBondContact OG-N 2.93Å
691	S	74.5	Confident	84.1	Confident	35 Å²	35	41.5 Å²	41.5	25%	0.245	24%	0.244	C	C	.	.	S	Bend	trans	-106.2	-1.4	-177.5	-50.3	0	0	0	0	113.3	S688 S689 K693 Q694 L695	S688-S691 WeakPolarHBondContact O-CB 3.38Å; S688-S691 PolarHBondContact O-N 3.02Å; S688-S691 PolarHBondContact OG-OG 2.68Å; S689-S691 VanDerWaalsContact C-N 3.33Å; S691-K693 PolarHBondContact O-N 3.01Å; S691-Q694 PolarHBondContact O-N 2.85Å; S691-L695 WeakPolarHBondContact O-CB 3.29Å; S691-L695 PolarHBondContact O-N 3.07Å
692	L	82.2	Confident	83.8	Confident	13 Å²	13	43.9 Å²	43.9	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-39.6	-168.9	-69.4	172.9	0	0	0	113.9	V687 L695 F696 V725 R756 L779	V687-L692 HydrophobicContact CG1-CD2 4.1Å; L692-L695 WeakPolarHBondContact O-CB 3.4Å; L692-L695 PolarHBondContact O-N 3.26Å; L692-F696 WeakPolarHBondContact O-CB 3.07Å; L692-F696 PolarHBondContact O-N 2.8Å; L692-V725 HydrophobicContact CD2-CB 4.41Å; L692-V725 HydrophobicContact CD2-CG1 4.18Å; L692-V725 HydrophobicContact CD2-CG2 4.05Å; L692-R756 VanDerWaalsContact CD1-NH1 3.3Å; L692-L779 HydrophobicContact CD2-CD2 4.44Å
693	K	82.9	Confident	83.6	Confident	79 Å²	79	44 Å²	44	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-46.7	177.2	-173.9	-173.7	177.2	-169.4	0	111.5	D77 S691 L695 F696 E697	D77-K693 HydrophobicContact CB-CB 4.46Å; D77-K693 HydrophobicContact CB-CD 3.8Å; D77-K693 WeakPolarHBondContact OD1-CD 3.44Å; D77-K693 IonicContact OD1-NZ 2.72Å; D77-K693 PolarHBondContact OD1-NZ 2.92Å; D77-K693 WeakPolarHBondContact OD2-CD 2.93Å; D77-K693 IonicContact OD2-NZ 2.62Å; D77-K693 PolarHBondContact OD2-NZ 3.09Å; D77-K693 VanDerWaalsContact OD2-NZ 3.09Å; S691-K693 PolarHBondContact O-N 3.01Å; K693-L695 VanDerWaalsContact C-N 3.35Å; K693-L695 PolarHBondContact O-N 3.25Å; K693-F696 PolarHBondContact O-N 2.92Å; K693-E697 WeakPolarHBondContact O-CG 3.47Å; K693-E697 PolarHBondContact O-N 3.32Å
694	Q	82.1	Confident	83.5	Confident	103 Å²	103	45.4 Å²	45.4	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-41	175.8	-66.1	174.9	-30.7	0	0	111.6	L654 S691 F696 E697 F698	L654-Q694 HydrophobicContact CD1-CB 4.02Å; S691-Q694 PolarHBondContact O-N 2.85Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; Q694-F696 PolarHBondContact O-N 2.99Å; Q694-E697 PolarHBondContact O-N 3.33Å; Q694-F698 HydrophobicContact CB-CD2 4.26Å; Q694-F698 WeakPolarHBondContact O-CB 3.22Å; Q694-F698 VanDerWaalsContact O-CD2 3.24Å; Q694-F698 WeakPolarHBondContact O-CD2 3.34Å; Q694-F698 PolarHBondContact O-N 3.42Å
695	L	85.4	Confident	83.6	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-41.2	175	-165.5	94	0	0	0	112	L654 R684 V687 S691 L692 K693 E699 V700 Y723 V725 L779	L654-L695 HydrophobicContact CD2-CD1 3.87Å; R684-L695 HydrophobicContact CG-CD2 4.38Å; V687-L695 HydrophobicContact CG1-CD1 4.24Å; V687-L695 HydrophobicContact CG1-CD2 4.21Å; V687-L695 HydrophobicContact CG2-CD1 3.71Å; V687-L695 HydrophobicContact CG2-CD2 4.1Å; S691-L695 WeakPolarHBondContact O-CB 3.29Å; S691-L695 PolarHBondContact O-N 3.07Å; L692-L695 WeakPolarHBondContact O-CB 3.4Å; L692-L695 PolarHBondContact O-N 3.26Å; K693-L695 VanDerWaalsContact C-N 3.35Å; K693-L695 PolarHBondContact O-N 3.25Å; L695-E699 VanDerWaalsContact CD1-CD 3.49Å; L695-E699 HydrophobicContact CD1-CG 4.19Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.36Å; L695-E699 HydrophobicContact CG-CB 4.47Å; L695-E699 HydrophobicContact CG-CG 4.45Å; L695-E699 WeakPolarHBondContact O-CA 3.48Å; L695-E699 WeakPolarHBondContact O-CB 3.49Å; L695-E699 PolarHBondContact O-N 3.31Å; L695-V700 PolarHBondContact O-N 3.04Å; L695-Y723 HydrophobicContact CD2-CE1 3.81Å; L695-Y723 WeakPolarHBondContact CD2-OH 3.09Å; L695-V725 HydrophobicContact CD2-CG2 3.54Å; L695-L779 HydrophobicContact CD2-CD1 3.74Å
696	F	87.3	Confident	84	Confident	40 Å²	40	52.3 Å²	52.3	18%	0.175	30%	0.296	C	S	.	.	I	π-helix	trans	-67.4	-47	177.8	-176.5	-98	0	0	0	112.1	L79 L692 K693 Q694 V700 K701 L779	L79-F696 HydrophobicContact CD1-CB 4.28Å; L79-F696 HydrophobicContact CD1-CD1 3.91Å; L79-F696 HydrophobicContact CD1-CE1 4.43Å; L79-F696 HydrophobicContact CD1-CG 4.07Å; L79-F696 HydrophobicContact CD2-CB 3.56Å; L79-F696 HydrophobicContact CD2-CD2 4.18Å; L79-F696 HydrophobicContact CD2-CG 3.86Å; L692-F696 WeakPolarHBondContact O-CB 3.07Å; L692-F696 PolarHBondContact O-N 2.8Å; K693-F696 PolarHBondContact O-N 2.92Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; Q694-F696 PolarHBondContact O-N 2.99Å; F696-V700 HydrophobicContact CD2-CB 3.97Å; F696-V700 HydrophobicContact CD2-CG1 4.08Å; F696-V700 HydrophobicContact CD2-CG2 4.11Å; F696-V700 HydrophobicContact CE2-CB 4.43Å; F696-V700 HydrophobicContact CE2-CG1 4.09Å; F696-V700 HydrophobicContact CG-CB 4.49Å; F696-V700 WeakPolarHBondContact O-CB 3.33Å; F696-V700 PolarHBondContact O-N 3.48Å; F696-K701 PolarHBondContact O-N 3.36Å; F696-L779 HydrophobicContact CD2-CB 4.17Å; F696-L779 WeakPolarHBondContact CE2-O 3.41Å
697	E	85.3	Confident	85.2	Confident	82 Å²	82	49.9 Å²	49.9	38%	0.383	27%	0.27	S	S	.	.	I	π-helix	trans	-65.2	-40.3	179.1	-67.6	-61.2	130.7	0	0	112.9	K693 Q694 K701	K693-E697 WeakPolarHBondContact O-CG 3.47Å; K693-E697 PolarHBondContact O-N 3.32Å; Q694-E697 PolarHBondContact O-N 3.33Å; E697-K701 VanDerWaalsContact OE1-CE 3.23Å; E697-K701 WeakPolarHBondContact OE1-CE 3.45Å; E697-K701 IonicContact OE1-NZ 3.58Å; E697-K701 PolarHBondContact OE1-NZ 2.77Å; E697-K701 WeakPolarHBondContact OE2-CE 3.34Å; E697-K701 IonicContact OE2-NZ 3.48Å; E697-K701 PolarHBondContact OE2-NZ 3.17Å
698	F	84.7	Confident	86.2	Confident	114 Å²	114	53.1 Å²	53.1	50%	0.5	28%	0.283	S	S	.	.	I	π-helix	trans	-101.6	-32.8	-173	-63.2	-62.3	0	0	0	115.9	L654 Q694 D702	L654-F698 HydrophobicContact CB-CB 4.43Å; Q694-F698 HydrophobicContact CB-CD2 4.26Å; Q694-F698 WeakPolarHBondContact O-CB 3.22Å; Q694-F698 VanDerWaalsContact O-CD2 3.24Å; Q694-F698 WeakPolarHBondContact O-CD2 3.34Å; Q694-F698 PolarHBondContact O-N 3.42Å; F698-D702 VanDerWaalsContact O-CB 3.23Å; F698-D702 WeakPolarHBondContact O-CB 3.5Å
699	E	89.2	Confident	87.6	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.028	28%	0.282	C	S	.	.	I	π-helix	trans	-92.8	-50	173.6	-65.6	-171.7	-157.3	0	0	111.8	L658 R684 L695 I703 Y723	L658-E699 HydrophobicContact CD2-CG 4.17Å; R684-E699 IonicContact CZ-OE1 3.87Å; R684-E699 VanDerWaalsContact CZ-OE1 3.31Å; R684-E699 IonicContact CZ-OE2 2.85Å; R684-E699 IonicContact NE-OE1 2.74Å; R684-E699 PolarHBondContact NE-OE1 2.75Å; R684-E699 IonicContact NE-OE2 2.66Å; R684-E699 PolarHBondContact NE-OE2 2.98Å; R684-E699 IonicContact NH2-OE1 2.73Å; R684-E699 PolarHBondContact NH2-OE1 3.25Å; R684-E699 IonicContact NH2-OE2 3.97Å; L695-E699 VanDerWaalsContact CD1-CD 3.49Å; L695-E699 HydrophobicContact CD1-CG 4.19Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.36Å; L695-E699 HydrophobicContact CG-CB 4.47Å; L695-E699 HydrophobicContact CG-CG 4.45Å; L695-E699 WeakPolarHBondContact O-CA 3.48Å; L695-E699 WeakPolarHBondContact O-CB 3.49Å; L695-E699 PolarHBondContact O-N 3.31Å; E699-I703 WeakPolarHBondContact O-CB 3.42Å; E699-I703 WeakPolarHBondContact O-CD1 3.38Å; E699-I703 WeakPolarHBondContact O-CG1 3.4Å; E699-I703 PolarHBondContact O-N 3.01Å; E699-Y723 PolarHBondContact OE2-OH 3.16Å
700	V	91.9	Very high	89	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	I	π-helix	trans	-72.3	-47.3	-167.9	-176	0	0	0	0	112.2	L695 F696 I703 I704 Y723 L779 Y780	L695-V700 PolarHBondContact O-N 3.04Å; F696-V700 HydrophobicContact CD2-CB 3.97Å; F696-V700 HydrophobicContact CD2-CG1 4.08Å; F696-V700 HydrophobicContact CD2-CG2 4.11Å; F696-V700 HydrophobicContact CE2-CB 4.43Å; F696-V700 HydrophobicContact CE2-CG1 4.09Å; F696-V700 HydrophobicContact CG-CB 4.49Å; F696-V700 WeakPolarHBondContact O-CB 3.33Å; F696-V700 PolarHBondContact O-N 3.48Å; V700-I703 PolarHBondContact O-N 3.08Å; V700-I704 HydrophobicContact CG1-CD1 3.97Å; V700-I704 WeakPolarHBondContact O-CG1 3.15Å; V700-I704 PolarHBondContact O-N 3.07Å; V700-Y723 HydrophobicContact CG2-CD1 3.72Å; V700-Y723 HydrophobicContact CG2-CD2 3.92Å; V700-Y723 HydrophobicContact CG2-CE1 3.89Å; V700-Y723 HydrophobicContact CG2-CE2 4.05Å; V700-Y723 HydrophobicContact CG2-CG 3.76Å; V700-L779 HydrophobicContact CG2-CD1 4.23Å; V700-Y780 HydrophobicContact CG1-CG 4.35Å
701	K	92.2	Very high	90.5	Very high	88 Å²	88	47.5 Å²	47.5	38%	0.383	23%	0.227	S	C	.	.	H	α-helix	trans	-63.3	-43	176.5	-66.3	-175.7	-177.5	176.4	0	112.2	F696 E697 I703 I704 E705	F696-K701 PolarHBondContact O-N 3.36Å; E697-K701 VanDerWaalsContact OE1-CE 3.23Å; E697-K701 WeakPolarHBondContact OE1-CE 3.45Å; E697-K701 IonicContact OE1-NZ 3.58Å; E697-K701 PolarHBondContact OE1-NZ 2.77Å; E697-K701 WeakPolarHBondContact OE2-CE 3.34Å; E697-K701 IonicContact OE2-NZ 3.48Å; E697-K701 PolarHBondContact OE2-NZ 3.17Å; K701-I703 PolarHBondContact O-N 2.9Å; K701-I704 PolarHBondContact O-N 2.89Å; K701-E705 PolarHBondContact O-N 2.84Å
702	D	92.3	Very high	91.5	Very high	51 Å²	51	48.8 Å²	48.8	27%	0.273	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-43.6	178.2	-170.1	68.9	0	0	0	112.2	F698 K706	F698-D702 VanDerWaalsContact O-CB 3.23Å; F698-D702 WeakPolarHBondContact O-CB 3.5Å; D702-K706 WeakPolarHBondContact O-CB 3.45Å; D702-K706 VanDerWaalsContact O-CG 3.3Å; D702-K706 WeakPolarHBondContact O-CG 3.32Å; D702-K706 PolarHBondContact O-N 3.45Å; D702-K706 WeakPolarHBondContact OD1-CE 3.26Å; D702-K706 IonicContact OD1-NZ 2.75Å; D702-K706 PolarHBondContact OD1-NZ 2.79Å; D702-K706 WeakPolarHBondContact OD2-CE 3.12Å; D702-K706 IonicContact OD2-NZ 2.7Å; D702-K706 PolarHBondContact OD2-NZ 2.78Å
703	I	94.9	Very high	92.2	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-42.9	174.9	-71.8	167.8	0	0	0	111.1	L658 I662 F682 E699 V700 K701 L707 L721 Y723	L658-I703 HydrophobicContact CD2-CD1 4.02Å; I662-I703 HydrophobicContact CD1-CD1 3.75Å; I662-I703 HydrophobicContact CD1-CG1 3.73Å; F682-I703 HydrophobicContact CE2-CD1 4.45Å; E699-I703 WeakPolarHBondContact O-CB 3.42Å; E699-I703 WeakPolarHBondContact O-CD1 3.38Å; E699-I703 WeakPolarHBondContact O-CG1 3.4Å; E699-I703 PolarHBondContact O-N 3.01Å; V700-I703 PolarHBondContact O-N 3.08Å; K701-I703 PolarHBondContact O-N 2.9Å; 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 3.47Å; I703-L707 WeakPolarHBondContact O-CG 3.22Å; I703-L707 PolarHBondContact O-N 2.73Å; I703-L721 HydrophobicContact CG2-CD2 4.07Å; I703-Y723 HydrophobicContact CD1-CD2 4.32Å; I703-Y723 HydrophobicContact CD1-CE2 4.01Å
704	I	96.2	Very high	92.7	Very high	30 Å²	30	54.5 Å²	54.5	15%	0.154	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-51.8	-179.9	-71.5	165.1	0	0	0	111	V700 K701 K706 L707 K708 L721 Y780	V700-I704 HydrophobicContact CG1-CD1 3.97Å; V700-I704 WeakPolarHBondContact O-CG1 3.15Å; V700-I704 PolarHBondContact O-N 3.07Å; K701-I704 PolarHBondContact O-N 2.89Å; I704-K706 PolarHBondContact O-N 3.02Å; I704-L707 PolarHBondContact O-N 3.1Å; I704-K708 WeakPolarHBondContact O-CG 3.27Å; I704-K708 PolarHBondContact O-N 3.15Å; I704-K708 VanDerWaalsContact O-N 3.1Å; I704-L721 HydrophobicContact CG1-CD2 3.88Å; I704-Y780 HydrophobicContact CD1-CD1 4.11Å; I704-Y780 HydrophobicContact CD1-CD2 3.77Å; I704-Y780 HydrophobicContact CD1-CE1 4.03Å; I704-Y780 HydrophobicContact CD1-CE2 3.68Å; I704-Y780 HydrophobicContact CD1-CG 3.98Å; I704-Y780 HydrophobicContact CG1-CE1 4.4Å
705	E	95.9	Very high	93.4	Very high	97 Å²	97	58.6 Å²	58.6	45%	0.453	28%	0.283	S	S	.	.	H	α-helix	trans	-66.4	-40.5	-178.1	-61.3	-47.1	126.7	0	0	112	K701 L707 K708 T709	K701-E705 PolarHBondContact O-N 2.84Å; E705-L707 PolarHBondContact O-N 3.48Å; E705-K708 WeakPolarHBondContact O-CB 3.39Å; E705-K708 PolarHBondContact O-N 2.84Å; E705-K708 WeakPolarHBondContact OE1-CE 3.44Å; E705-K708 IonicContact OE1-NZ 3.76Å; E705-K708 PolarHBondContact OE1-NZ 2.78Å; E705-K708 WeakPolarHBondContact OE2-CD 3.5Å; E705-K708 WeakPolarHBondContact OE2-CE 3.28Å; E705-K708 IonicContact OE2-NZ 3.65Å; E705-K708 PolarHBondContact OE2-NZ 3.16Å; E705-T709 PolarHBondContact O-N 2.79Å; E705-T709 VanDerWaalsContact O-N 3.08Å; E705-T709 PolarHBondContact O-OG1 2.91Å
706	K	96.3	Very high	93.9	Very high	61 Å²	61	62.9 Å²	62.9	27%	0.265	31%	0.305	S	S	.	.	H	α-helix	trans	-73.3	-27.1	178.9	-65.2	176.9	-176.9	162.1	0	113.2	W659 D702 I704 T709 E710	W659-K706 HydrophobicContact CB-CD 4.13Å; W659-K706 HydrophobicContact CD2-CB 3.66Å; W659-K706 HydrophobicContact CD2-CD 3.56Å; W659-K706 HydrophobicContact CD2-CG 4.24Å; W659-K706 HydrophobicContact CE3-CB 3.64Å; W659-K706 HydrophobicContact CE3-CD 4.09Å; W659-K706 HydrophobicContact CG-CB 4.49Å; W659-K706 HydrophobicContact CG-CD 3.49Å; W659-K706 VanDerWaalsContact CG-CD 3.49Å; W659-K706 VanDerWaalsContact CH2-C 3.46Å; W659-K706 HydrophobicContact CH2-CB 3.58Å; W659-K706 WeakPolarHBondContact CH2-O 3.37Å; W659-K706 HydrophobicContact CZ2-CB 3.58Å; W659-K706 HydrophobicContact CZ3-CB 3.6Å; D702-K706 WeakPolarHBondContact O-CB 3.45Å; D702-K706 VanDerWaalsContact O-CG 3.3Å; D702-K706 WeakPolarHBondContact O-CG 3.32Å; D702-K706 PolarHBondContact O-N 3.45Å; D702-K706 WeakPolarHBondContact OD1-CE 3.26Å; D702-K706 IonicContact OD1-NZ 2.75Å; D702-K706 PolarHBondContact OD1-NZ 2.79Å; D702-K706 WeakPolarHBondContact OD2-CE 3.12Å; D702-K706 IonicContact OD2-NZ 2.7Å; D702-K706 PolarHBondContact OD2-NZ 2.78Å; I704-K706 PolarHBondContact O-N 3.02Å; K706-T709 PolarHBondContact O-N 2.9Å; K706-E710 PolarHBondContact O-N 3.05Å
707	L	97.8	Very high	94.3	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-42.3	167.6	-78.5	172.2	0	0	0	111.7	W659 L666 I680 I703 I704 E705 T709 E710 Y711 P719 L721	W659-L707 HydrophobicContact CH2-CD2 4.29Å; W659-L707 HydrophobicContact CH2-CG 4.38Å; W659-L707 HydrophobicContact CZ3-CD2 4.41Å; W659-L707 HydrophobicContact CZ3-CG 4.22Å; L666-L707 HydrophobicContact CD1-CD2 3.78Å; I680-L707 HydrophobicContact CD1-CD1 4.17Å; I680-L707 HydrophobicContact CD1-CD2 3.74Å; 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 3.47Å; I703-L707 WeakPolarHBondContact O-CG 3.22Å; I703-L707 PolarHBondContact O-N 2.73Å; I704-L707 PolarHBondContact O-N 3.1Å; E705-L707 PolarHBondContact O-N 3.48Å; L707-T709 VanDerWaalsContact C-N 3.27Å; L707-T709 PolarHBondContact O-N 3.21Å; L707-E710 PolarHBondContact O-N 2.74Å; L707-Y711 HydrophobicContact CD2-CD2 4.44Å; L707-Y711 HydrophobicContact CD2-CE2 3.85Å; L707-Y711 WeakPolarHBondContact O-CD2 3.42Å; L707-Y711 PolarHBondContact O-N 2.69Å; L707-Y711 VanDerWaalsContact O-N 3.11Å; L707-P719 HydrophobicContact CD1-CG 4.18Å; L707-P719 HydrophobicContact CD2-CG 4.15Å; L707-L721 HydrophobicContact CD1-CD1 4.48Å; L707-L721 HydrophobicContact CD1-CD2 4.08Å
708	K	97.4	Very high	94.8	Very high	86 Å²	86	64.9 Å²	64.9	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-55.3	-46.2	170.8	-62.5	172.8	-167.3	168.2	0	110.5	I704 E705 Y711 A712 P718	I704-K708 WeakPolarHBondContact O-CG 3.27Å; I704-K708 PolarHBondContact O-N 3.15Å; I704-K708 VanDerWaalsContact O-N 3.1Å; E705-K708 WeakPolarHBondContact O-CB 3.39Å; E705-K708 PolarHBondContact O-N 2.84Å; E705-K708 WeakPolarHBondContact OE1-CE 3.44Å; E705-K708 IonicContact OE1-NZ 3.76Å; E705-K708 PolarHBondContact OE1-NZ 2.78Å; E705-K708 WeakPolarHBondContact OE2-CD 3.5Å; E705-K708 WeakPolarHBondContact OE2-CE 3.28Å; E705-K708 IonicContact OE2-NZ 3.65Å; E705-K708 PolarHBondContact OE2-NZ 3.16Å; K708-Y711 PolarHBondContact O-N 2.79Å; K708-A712 WeakPolarHBondContact O-CB 3.48Å; K708-A712 PolarHBondContact O-N 3.4Å; K708-P718 HydrophobicContact CG-CB 4.05Å; K708-P718 HydrophobicContact CG-CG 4.18Å
709	T	97.1	Very high	95.5	Very high	72 Å²	72	60.1 Å²	60.1	44%	0.442	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-47.2	-179.5	-54.9	0	0	0	0	113.6	E705 K706 L707 R713	E705-T709 PolarHBondContact O-N 2.79Å; E705-T709 VanDerWaalsContact O-N 3.08Å; E705-T709 PolarHBondContact O-OG1 2.91Å; K706-T709 PolarHBondContact O-N 2.9Å; L707-T709 VanDerWaalsContact C-N 3.27Å; L707-T709 PolarHBondContact O-N 3.21Å; T709-R713 WeakPolarHBondContact O-CG 3.41Å; T709-R713 PolarHBondContact O-N 3.45Å
710	E	96.4	Very high	95.9	Very high	26 Å²	26	62.7 Å²	62.7	12%	0.121	32%	0.324	C	S	.	.	H	α-helix	trans	-69.3	-33.2	179.5	-65.5	-69	172.6	0	0	112.9	W659 R667 K706 L707 R713	W659-E710 HydrophobicContact CH2-CG 3.94Å; W659-E710 HydrophobicContact CZ2-CG 3.47Å; W659-E710 VanDerWaalsContact CZ2-CG 3.47Å; R667-E710 IonicContact NH2-OE1 3.68Å; K706-E710 PolarHBondContact O-N 3.05Å; L707-E710 PolarHBondContact O-N 2.74Å; E710-R713 IonicContact OE1-CZ 2.68Å; E710-R713 IonicContact OE1-NH1 2.65Å; E710-R713 PolarHBondContact OE1-NH1 3.35Å; E710-R713 IonicContact OE2-CZ 3.85Å; E710-R713 IonicContact OE2-NH1 3.93Å; E710-R713 PolarHBondContact OE2-NH1 2.98Å
711	Y	97.7	Very high	96.2	Very high	5 Å²	5	62.9 Å²	62.9	2%	0.02	33%	0.325	C	S	.	.	H	α-helix	trans	-77.2	-36.2	179.4	-77.1	-116.8	0	0	0	110.8	L666 L676 P677 L707 K708 R713 V714 Q715 L716 S717 P719	L666-Y711 HydrophobicContact CD1-CE2 4.42Å; L666-Y711 HydrophobicContact CD2-CE2 4.3Å; L676-Y711 HydrophobicContact CB-CD1 4.32Å; L676-Y711 HydrophobicContact CB-CE1 3.64Å; L676-Y711 HydrophobicContact CD1-CD1 3.85Å; L676-Y711 HydrophobicContact CD1-CD2 3.83Å; L676-Y711 HydrophobicContact CD1-CE1 3.86Å; L676-Y711 HydrophobicContact CD1-CE2 3.85Å; L676-Y711 HydrophobicContact CD1-CG 3.84Å; L676-Y711 HydrophobicContact CG-CE1 4.37Å; P677-Y711 WeakPolarHBondContact CD-OH 3.48Å; P677-Y711 WeakPolarHBondContact CG-OH 3.21Å; P677-Y711 PolarHBondContact O-OH 3.21Å; L707-Y711 HydrophobicContact CD2-CD2 4.44Å; L707-Y711 HydrophobicContact CD2-CE2 3.85Å; L707-Y711 WeakPolarHBondContact O-CD2 3.42Å; L707-Y711 PolarHBondContact O-N 2.69Å; L707-Y711 VanDerWaalsContact O-N 3.11Å; K708-Y711 PolarHBondContact O-N 2.79Å; Y711-R713 VanDerWaalsContact C-N 3.29Å; Y711-R713 PolarHBondContact O-N 2.63Å; Y711-V714 CarbonylContact O-C 3.58Å; Y711-V714 VanDerWaalsContact O-CG2 3.24Å; Y711-V714 WeakPolarHBondContact O-CG2 3.47Å; Y711-V714 PolarHBondContact O-N 2.83Å; Y711-Q715 PolarHBondContact O-N 3.14Å; Y711-Q715 VanDerWaalsContact O-N 3.17Å; Y711-L716 CarbonylContact C-O 3.54Å; Y711-L716 VanDerWaalsContact C-O 3.28Å; Y711-L716 HydrophobicContact CD1-CB 4.21Å; Y711-L716 PolarHBondContact O-N 2.82Å; Y711-S717 VanDerWaalsContact CD1-O 3.26Å; Y711-S717 WeakPolarHBondContact CD1-O 3.4Å; Y711-P719 HydrophobicContact CD1-CG 4.49Å; Y711-P719 HydrophobicContact CD2-CG 4.39Å; Y711-P719 HydrophobicContact CE1-CB 3.74Å; Y711-P719 HydrophobicContact CE1-CG 3.9Å; Y711-P719 HydrophobicContact CE2-CB 4.49Å; Y711-P719 HydrophobicContact CE2-CG 3.79Å
712	A	97.3	Very high	96.4	Very high	62 Å²	62	58.7 Å²	58.7	51%	0.512	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-33.5	171.2	0	0	0	0	0	113	K708 V714 Q715	K708-A712 WeakPolarHBondContact O-CB 3.48Å; K708-A712 PolarHBondContact O-N 3.4Å; A712-V714 PolarHBondContact O-N 3.36Å; A712-Q715 PolarHBondContact O-N 3.44Å
713	R	95.3	Very high	96.7	Very high	156 Å²	156	56.2 Å²	56.2	59%	0.589	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.8	173	-75.1	174.3	-177.2	160.9	4.2	113.9	T709 E710 Y711	T709-R713 WeakPolarHBondContact O-CG 3.41Å; T709-R713 PolarHBondContact O-N 3.45Å; E710-R713 IonicContact OE1-CZ 2.68Å; E710-R713 IonicContact OE1-NH1 2.65Å; E710-R713 PolarHBondContact OE1-NH1 3.35Å; E710-R713 IonicContact OE2-CZ 3.85Å; E710-R713 IonicContact OE2-NH1 3.93Å; E710-R713 PolarHBondContact OE2-NH1 2.98Å; Y711-R713 VanDerWaalsContact C-N 3.29Å; Y711-R713 PolarHBondContact O-N 2.63Å
714	V	95.3	Very high	96.8	Very high	56 Å²	56	56.1 Å²	56.1	34%	0.339	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	20.4	174.1	-59.6	0	0	0	0	112.1	L676 Y711 A712 L716	L676-V714 HydrophobicContact CD1-CG2 3.52Å; L676-V714 HydrophobicContact CG-CG2 4.43Å; Y711-V714 CarbonylContact O-C 3.58Å; Y711-V714 VanDerWaalsContact O-CG2 3.24Å; Y711-V714 WeakPolarHBondContact O-CG2 3.47Å; Y711-V714 PolarHBondContact O-N 2.83Å; A712-V714 PolarHBondContact O-N 3.36Å; V714-L716 HydrophobicContact CG2-CB 4.26Å; V714-L716 HydrophobicContact CG2-CD1 3.91Å; V714-L716 HydrophobicContact CG2-CG 4.01Å; V714-L716 PolarHBondContact O-N 2.7Å
715	Q	96	Very high	96.7	Very high	188 Å²	188	54.7 Å²	54.7	88%	0.879	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	29.3	177.2	-57.7	177.8	-6.1	0	0	114.4	Y711 A712	Y711-Q715 PolarHBondContact O-N 3.14Å; Y711-Q715 VanDerWaalsContact O-N 3.17Å; A712-Q715 PolarHBondContact O-N 3.44Å
716	L	96.1	Very high	96.7	Very high	91 Å²	91	50.1 Å²	50.1	48%	0.476	27%	0.265	S	S	.	.			trans	-105.8	153	175.9	-66.3	178.8	0	0	0	112.1	Y711 V714	Y711-L716 CarbonylContact C-O 3.54Å; Y711-L716 VanDerWaalsContact C-O 3.28Å; Y711-L716 HydrophobicContact CD1-CB 4.21Å; Y711-L716 PolarHBondContact O-N 2.82Å; V714-L716 HydrophobicContact CG2-CB 4.26Å; V714-L716 HydrophobicContact CG2-CD1 3.91Å; V714-L716 HydrophobicContact CG2-CG 4.01Å; V714-L716 PolarHBondContact O-N 2.7Å
717	S	95.8	Very high	96.5	Very high	95 Å²	95	49.7 Å²	49.7	66%	0.664	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-63.5	152.4	164.2	52.1	0	0	0	0	111.2	Y711	Y711-S717 VanDerWaalsContact CD1-O 3.26Å; Y711-S717 WeakPolarHBondContact CD1-O 3.4Å
718	P	96.3	Very high	95.9	Very high	70 Å²	70	52.7 Å²	52.7	46%	0.455	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-59.2	149.9	174.9	25.9	-35.8	0	0	0	111.7	K708	K708-P718 HydrophobicContact CG-CB 4.05Å; K708-P718 HydrophobicContact CG-CG 4.18Å
719	P	97.6	Very high	94.9	Very high	14 Å²	14	49.3 Å²	49.3	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-73.4	160.8	-176.4	33	-36.4	0	0	0	111.6	I680 L707 Y711 L721	I680-P719 HydrophobicContact CD1-CB 4.31Å; I680-P719 HydrophobicContact CD1-CG 3.75Å; I680-P719 HydrophobicContact CG1-CB 4.3Å; I680-P719 HydrophobicContact CG1-CG 4.24Å; L707-P719 HydrophobicContact CD1-CG 4.18Å; L707-P719 HydrophobicContact CD2-CG 4.15Å; Y711-P719 HydrophobicContact CD1-CG 4.49Å; Y711-P719 HydrophobicContact CD2-CG 4.39Å; Y711-P719 HydrophobicContact CE1-CB 3.74Å; Y711-P719 HydrophobicContact CE1-CG 3.9Å; Y711-P719 HydrophobicContact CE2-CB 4.49Å; Y711-P719 HydrophobicContact CE2-CG 3.79Å; P719-L721 PolarHBondContact O-N 3.47Å
720	Q	97.9	Very high	93.7	Very high	59 Å²	59	51.9 Å²	51.9	28%	0.276	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	129.1	164.8	-55.1	-165.6	-80.5	0	0	109.2	S678 R679 I680 S782 M783	S678-Q720 PolarHBondContact O-N 3.12Å; R679-Q720 CarbonylContact C-O 3.22Å; R679-Q720 WeakPolarHBondContact CA-O 3.16Å; R679-Q720 HydrophobicContact CG-CB 4.23Å; I680-Q720 PolarHBondContact N-O 3.28Å; Q720-S782 PolarHBondContact NE2-O 2.94Å; Q720-S782 VanDerWaalsContact NE2-O 3.13Å; Q720-M783 HydrophobicContact CB-SD 3.81Å; Q720-M783 PolarHBondContact NE2-O 3.3Å
721	L	97.9	Very high	93.1	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.4	-176.8	173.7	67.2	0	0	0	110.5	I680 I703 I704 L707 P719 Y780 S781 S782	I680-L721 HydrophobicContact CB-CD1 3.99Å; I680-L721 HydrophobicContact CG2-CD1 3.88Å; I680-L721 CarbonylContact O-C 3.51Å; I680-L721 WeakPolarHBondContact O-CA 3.46Å; I703-L721 HydrophobicContact CG2-CD2 4.07Å; I704-L721 HydrophobicContact CG1-CD2 3.88Å; L707-L721 HydrophobicContact CD1-CD1 4.48Å; L707-L721 HydrophobicContact CD1-CD2 4.08Å; P719-L721 PolarHBondContact O-N 3.47Å; L721-Y780 HydrophobicContact CB-CD1 4.38Å; L721-Y780 HydrophobicContact CB-CE1 4.13Å; L721-Y780 HydrophobicContact CD2-CD1 4.07Å; L721-Y780 HydrophobicContact CD2-CE1 4.21Å; L721-Y780 HydrophobicContact CG-CD1 4.15Å; L721-Y780 HydrophobicContact CG-CE1 4.34Å; L721-S781 CarbonylContact O-C 3.58Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.39Å; L721-S782 PolarHBondContact N-OG 3.43Å; L721-S782 PolarHBondContact O-N 3.19Å; L721-S782 PolarHBondContact O-OG 3.29Å
722	A	97.8	Very high	92.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.1	157.2	0	0	0	0	0	110.5	I680 V681 F682 I724 Y780 M783 M790	I680-A722 PolarHBondContact O-N 3.28Å; V681-A722 HydrophobicContact CG2-CB 4.47Å; F682-A722 PolarHBondContact N-O 3.29Å; A722-I724 HydrophobicContact CB-CD1 4.47Å; A722-I724 HydrophobicContact CB-CG1 4.39Å; A722-Y780 WeakPolarHBondContact CA-O 3.22Å; A722-M783 HydrophobicContact CB-CG 3.56Å; A722-M790 HydrophobicContact CB-CE 3.57Å
723	Y	97.2	Very high	92.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.3	174.2	-171.4	-71.2	0	0	0	109.2	F682 R684 L695 E699 V700 I703 V725 L779 Y780	F682-Y723 HydrophobicContact CB-CD2 4.16Å; F682-Y723 AromaticContact CD1-CD2 3.74Å; F682-Y723 HydrophobicContact CD1-CD2 3.74Å; F682-Y723 AromaticContact CD1-CE2 3.51Å; F682-Y723 HydrophobicContact CD1-CE2 3.51Å; F682-Y723 HydrophobicContact CD1-CG 4.48Å; F682-Y723 HydrophobicContact CE1-CD2 4.38Å; F682-Y723 AromaticContact CE1-CE2 3.7Å; F682-Y723 HydrophobicContact CE1-CE2 3.7Å; F682-Y723 HydrophobicContact CG-CD2 4.01Å; F682-Y723 HydrophobicContact CG-CE2 4.14Å; F682-Y723 HydrophobicContact CZ-CE2 4.43Å; R684-Y723 HydrophobicContact CB-CE1 4.01Å; R684-Y723 VanDerWaalsContact CD-OH 3.32Å; R684-Y723 WeakPolarHBondContact CD-OH 3.19Å; R684-Y723 HydrophobicContact CG-CE1 4.41Å; R684-Y723 VanDerWaalsContact CG-OH 3.27Å; R684-Y723 WeakPolarHBondContact CG-OH 3.33Å; L695-Y723 HydrophobicContact CD2-CE1 3.81Å; L695-Y723 WeakPolarHBondContact CD2-OH 3.09Å; E699-Y723 PolarHBondContact OE2-OH 3.16Å; V700-Y723 HydrophobicContact CG2-CD1 3.72Å; V700-Y723 HydrophobicContact CG2-CD2 3.92Å; V700-Y723 HydrophobicContact CG2-CE1 3.89Å; V700-Y723 HydrophobicContact CG2-CE2 4.05Å; V700-Y723 HydrophobicContact CG2-CG 3.76Å; I703-Y723 HydrophobicContact CD1-CD2 4.32Å; I703-Y723 HydrophobicContact CD1-CE2 4.01Å; Y723-V725 HydrophobicContact CE1-CG2 4.03Å; Y723-L779 HydrophobicContact CD1-CB 4.2Å; Y723-L779 HydrophobicContact CD1-CD1 3.93Å; Y723-L779 HydrophobicContact CD1-CG 4.11Å; Y723-L779 HydrophobicContact CE1-CD1 3.88Å; Y723-L779 HydrophobicContact CE1-CG 4.47Å; Y723-L779 PolarHBondContact O-N 3.46Å; Y723-Y780 PolarHBondContact N-O 3.49Å
724	I	97.3	Very high	92.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.5	-168.4	-48.4	179.1	0	0	0	109.7	V681 F682 Y683 R684 A722 Y776 N777 V778 M790	V681-I724 HydrophobicContact CG1-CD1 4.01Å; F682-I724 PolarHBondContact O-N 2.89Å; Y683-I724 WeakPolarHBondContact CA-O 3.43Å; Y683-I724 HydrophobicContact CD1-CB 3.96Å; Y683-I724 HydrophobicContact CD1-CD1 4.23Å; Y683-I724 HydrophobicContact CD1-CG2 4.17Å; Y683-I724 HydrophobicContact CE1-CB 4.26Å; Y683-I724 HydrophobicContact CE1-CD1 3.7Å; Y683-I724 HydrophobicContact CE1-CG2 4.3Å; R684-I724 PolarHBondContact N-O 2.82Å; A722-I724 HydrophobicContact CB-CD1 4.47Å; A722-I724 HydrophobicContact CB-CG1 4.39Å; I724-Y776 HydrophobicContact CG2-CD1 4.2Å; I724-N777 WeakPolarHBondContact CA-O 3.46Å; I724-V778 HydrophobicContact CG1-CG2 4.25Å; I724-V778 HydrophobicContact CG2-CG2 4.48Å; I724-M790 HydrophobicContact CD1-CE 3.71Å
725	V	95.3	Very high	92.5	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.1	170.6	174	0	0	0	0	109.5	R684 V687 L692 L695 Y723 Y776 N777 L779	R684-V725 HydrophobicContact CB-CG2 4.37Å; V687-V725 HydrophobicContact CB-CG1 4.08Å; L692-V725 HydrophobicContact CD2-CB 4.41Å; L692-V725 HydrophobicContact CD2-CG1 4.18Å; L692-V725 HydrophobicContact CD2-CG2 4.05Å; L695-V725 HydrophobicContact CD2-CG2 3.54Å; Y723-V725 HydrophobicContact CE1-CG2 4.03Å; V725-Y776 WeakPolarHBondContact O-CA 3.44Å; V725-N777 PolarHBondContact N-O 3.27Å; V725-N777 PolarHBondContact O-N 3.44Å; V725-L779 HydrophobicContact CG2-CD1 3.63Å; V725-L779 HydrophobicContact CG2-CD2 4.23Å; V725-L779 HydrophobicContact CG2-CG 3.91Å
726	V	95.6	Very high	92.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.3	176.3	-174.6	0	0	0	0	108	Y683 R684 T774 Y776 V810	Y683-V726 HydrophobicContact CD1-CG2 3.78Å; Y683-V726 HydrophobicContact CG-CG2 4.3Å; R684-V726 PolarHBondContact O-N 2.63Å; V726-T774 HydrophobicContact CG1-CG2 3.52Å; V726-Y776 HydrophobicContact CB-CE1 4.42Å; V726-Y776 HydrophobicContact CG1-CD1 4.39Å; V726-Y776 HydrophobicContact CG1-CE1 3.88Å; V726-Y776 HydrophobicContact CG2-CD1 3.93Å; V726-Y776 HydrophobicContact CG2-CE1 3.85Å; V726-V810 HydrophobicContact CG1-CB 4.19Å; V726-V810 HydrophobicContact CG1-CG1 3.79Å
727	T	91	Very high	92.2	Very high	52 Å²	52	36 Å²	36	32%	0.319	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.4	178.4	-64.8	0	0	0	0	110.8	S729 S775	T727-S729 VanDerWaalsContact C-N 3.25Å; T727-S729 PolarHBondContact O-N 3.36Å; T727-S775 PolarHBondContact N-O 2.96Å; T727-S775 PolarHBondContact O-N 3.01Å
728	R	86	Confident	91.7	Very high	68 Å²	68	32.6 Å²	32.6	26%	0.257	18%	0.177	S	C	.	.			trans	-75.1	72.9	179.4	-60.8	172.7	-173.4	-121.3	-4	110.1	D685 M730 R809 V810	D685-R728 IonicContact OD1-NE 3.72Å; D685-R728 PolarHBondContact OD1-NE 2.9Å; D685-R728 IonicContact OD2-CZ 2.86Å; D685-R728 VanDerWaalsContact OD2-CZ 3.24Å; D685-R728 IonicContact OD2-NE 3.72Å; D685-R728 PolarHBondContact OD2-NE 3.2Å; D685-R728 IonicContact OD2-NH2 2.66Å; D685-R728 PolarHBondContact OD2-NH2 3.04Å; R728-M730 WeakPolarHBondContact O-CG 3.35Å; R728-M730 PolarHBondContact O-N 2.8Å; R728-M730 VanDerWaalsContact O-N 3.13Å; R728-R809 PolarHBondContact O-NH2 3.12Å; R728-V810 HydrophobicContact CG-CG1 4.18Å
729	S	75.9	Confident	91.5	Very high	16 Å²	16	35.9 Å²	35.9	11%	0.112	19%	0.186	C	C	.	.			trans	-52.7	121.6	-173.8	-172	0	0	0	0	111.6	T727 N731 T732 R733 P773 R809	T727-S729 VanDerWaalsContact C-N 3.25Å; T727-S729 PolarHBondContact O-N 3.36Å; S729-N731 PolarHBondContact OG-N 2.89Å; S729-T732 WeakPolarHBondContact OG-CB 3.12Å; S729-T732 PolarHBondContact OG-N 2.87Å; S729-T732 PolarHBondContact OG-OG1 2.86Å; S729-R733 PolarHBondContact O-NH1 3.39Å; S729-P773 PolarHBondContact N-O 2.85Å; S729-R809 PolarHBondContact O-NH2 2.94Å
730	M	72.1	Confident	91.4	Very high	126 Å²	126	37.3 Å²	37.3	62%	0.621	19%	0.193	S	C	*	.	S	Bend	trans	-98.2	-9.6	172.8	-59.8	-161.8	76.3	0	0	111.5	E253 R728 R733	E253-M730 WeakPolarHBondContact CG-O 3.4Å; R728-M730 WeakPolarHBondContact O-CG 3.35Å; R728-M730 PolarHBondContact O-N 2.8Å; R728-M730 VanDerWaalsContact O-N 3.13Å; M730-R733 PolarHBondContact O-NH1 2.83Å; M730-R733 PolarHBondContact O-NH2 3.4Å
731	N	84.8	Confident	91.3	Very high	54 Å²	54	34.6 Å²	34.6	29%	0.289	18%	0.181	S	C	.	.	S	Bend	trans	-108.2	-30.5	-172.7	-57.4	16	0	0	0	111.7	N102 E238 S729	N102-N731 PolarHBondContact ND2-O 3.46Å; E238-N731 VanDerWaalsContact CD-ND2 3.33Å; E238-N731 PolarHBondContact OE1-ND2 3.47Å; S729-N731 PolarHBondContact OG-N 2.89Å
732	T	91.6	Very high	91.2	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.037	19%	0.193	C	C	.	.			trans	-78.3	131.4	173.7	-35.7	0	0	0	0	109.7	F103 S729 I751 Y760 P773	F103-T732 HydrophobicContact CE2-CG2 3.97Å; F103-T732 HydrophobicContact CZ-CG2 4.47Å; S729-T732 WeakPolarHBondContact OG-CB 3.12Å; S729-T732 PolarHBondContact OG-N 2.87Å; S729-T732 PolarHBondContact OG-OG1 2.86Å; T732-I751 HydrophobicContact CG2-CD1 3.89Å; T732-Y760 HydrophobicContact CG2-CD1 4.09Å; T732-Y760 HydrophobicContact CG2-CD2 4.46Å; T732-Y760 HydrophobicContact CG2-CE1 3.6Å; T732-Y760 HydrophobicContact CG2-CE2 4.02Å; T732-Y760 HydrophobicContact CG2-CG 4.49Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.44Å; T732-Y760 PolarHBondContact OG1-OH 3.13Å; T732-Y760 VanDerWaalsContact OG1-OH 3.09Å; T732-P773 WeakPolarHBondContact O-CD 3.41Å; T732-P773 WeakPolarHBondContact O-CG 3.13Å
733	R	93.1	Very high	91.1	Very high	11 Å²	11	37 Å²	37	4%	0.042	20%	0.197	C	C	.	.			trans	-133.9	149.7	169	-60.2	-66.9	176	-106.5	-2.7	110.1	T101 N102 E253 S729 M730 F735 V771 S772	T101-R733 CarbonylContact C-O 3.57Å; T101-R733 WeakPolarHBondContact CA-O 3.4Å; N102-R733 HydrophobicContact CB-CB 4.02Å; N102-R733 PolarHBondContact N-O 3.08Å; N102-R733 PolarHBondContact OD1-N 3.32Å; N102-R733 PolarHBondContact OD1-O 3.4Å; E253-R733 IonicContact OE1-CZ 3.57Å; E253-R733 IonicContact OE1-NE 2.75Å; E253-R733 PolarHBondContact OE1-NE 3.19Å; E253-R733 IonicContact OE1-NH2 2.7Å; E253-R733 PolarHBondContact OE1-NH2 2.99Å; S729-R733 PolarHBondContact O-NH1 3.39Å; M730-R733 PolarHBondContact O-NH1 2.83Å; M730-R733 PolarHBondContact O-NH2 3.4Å; R733-F735 HydrophobicContact CB-CE1 4.46Å; R733-F735 HydrophobicContact CB-CE2 4.2Å; R733-F735 HydrophobicContact CB-CZ 3.87Å; R733-V771 WeakPolarHBondContact CD-O 3.2Å; R733-S772 PolarHBondContact NH1-OG 3.42Å
734	F	94.1	Very high	91.1	Very high	4 Å²	4	37 Å²	37	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155.9	164.1	46.1	-94.7	0	0	0	110	L99 Q100 T101 P741 T745 V747 I751 Y760 V762 P773	L99-F734 HydrophobicContact CB-CB 4.33Å; L99-F734 HydrophobicContact CD1-CD2 3.94Å; L99-F734 HydrophobicContact CD1-CE2 4.37Å; Q100-F734 CarbonylContact O-C 3.48Å; Q100-F734 WeakPolarHBondContact O-CA 3.2Å; T101-F734 HydrophobicContact CG2-CB 4.39Å; F734-P741 HydrophobicContact CD2-CG 3.77Å; F734-P741 HydrophobicContact CE2-CG 4.23Å; F734-P741 VanDerWaalsContact O-CD 3.3Å; F734-P741 WeakPolarHBondContact O-CD 3.16Å; F734-P741 WeakPolarHBondContact O-CG 3.4Å; F734-T745 HydrophobicContact CE2-CG2 4.06Å; F734-V747 HydrophobicContact CD1-CG2 4.09Å; F734-V747 HydrophobicContact CD2-CG2 4.07Å; F734-V747 HydrophobicContact CE1-CB 4.27Å; F734-V747 HydrophobicContact CE1-CG2 3.95Å; F734-V747 HydrophobicContact CE2-CG2 3.93Å; F734-V747 HydrophobicContact CG-CG2 4.15Å; F734-V747 HydrophobicContact CZ-CB 4.38Å; F734-V747 HydrophobicContact CZ-CG2 3.86Å; F734-I751 HydrophobicContact CD1-CD1 3.97Å; F734-Y760 HydrophobicContact CE1-CG 4.21Å; F734-V762 HydrophobicContact CE2-CG2 3.59Å; F734-V762 HydrophobicContact CZ-CG2 3.85Å; F734-P773 HydrophobicContact CD1-CG 4.3Å; F734-P773 HydrophobicContact CE1-CB 3.74Å; F734-P773 HydrophobicContact CE1-CG 3.74Å; F734-P773 HydrophobicContact CZ-CB 3.75Å; F734-P773 HydrophobicContact CZ-CG 4.22Å
735	F	94.2	Very high	91.2	Very high	1 Å²	1	37 Å²	37	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.7	-165.7	-47.8	-76.9	0	0	0	109.1	L99 Q100 T101 P395 R398 R733 Q739 T770	L99-F735 WeakPolarHBondContact CA-O 3.39Å; Q100-F735 PolarHBondContact N-O 3.21Å; Q100-F735 VanDerWaalsContact O-CD2 3.27Å; Q100-F735 WeakPolarHBondContact O-CD2 3.24Å; Q100-F735 PolarHBondContact O-N 3.01Å; T101-F735 WeakPolarHBondContact O-CE2 3.4Å; P395-F735 HydrophobicContact CB-CD1 3.78Å; P395-F735 HydrophobicContact CB-CE1 4.1Å; P395-F735 HydrophobicContact CG-CD1 4.48Å; R398-F735 HydrophobicContact CG-CZ 4.28Å; R733-F735 HydrophobicContact CB-CE1 4.46Å; R733-F735 HydrophobicContact CB-CE2 4.2Å; R733-F735 HydrophobicContact CB-CZ 3.87Å; F735-Q739 VanDerWaalsContact CA-O 3.3Å; F735-Q739 WeakPolarHBondContact CA-O 3.43Å; F735-Q739 WeakPolarHBondContact CB-O 3.31Å; F735-T770 HydrophobicContact CD1-CG2 4.41Å; F735-T770 HydrophobicContact CE1-CG2 3.6Å; F735-T770 HydrophobicContact CZ-CG2 4.43Å
736	L	94.3	Very high	91.3	Very high	35 Å²	35	36.9 Å²	36.9	18%	0.183	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-101.8	118.8	171.9	-177.9	60.1	0	0	0	107.9	V97 M98 L99 I437 G738 Q739 P742	V97-L736 HydrophobicContact CB-CD1 4.01Å; V97-L736 HydrophobicContact CG1-CD1 4.31Å; M98-L736 WeakPolarHBondContact O-CD1 3.47Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4.02Å; L99-L736 HydrophobicContact CD2-CG 4.47Å; I437-L736 HydrophobicContact CD1-CD2 4.41Å; L736-G738 PolarHBondContact O-N 2.84Å; L736-G738 VanDerWaalsContact O-N 3.15Å; L736-Q739 PolarHBondContact N-O 3.39Å; L736-Q739 VanDerWaalsContact N-O 3.12Å; L736-Q739 WeakPolarHBondContact O-CA 3.49Å; L736-Q739 WeakPolarHBondContact O-CB 3.28Å; L736-Q739 PolarHBondContact O-N 3.41Å; L736-P742 HydrophobicContact CD2-CG 4.42Å
737	N	89.9	Confident	91.4	Very high	140 Å²	140	37 Å²	37	75%	0.749	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	40.3	178.3	-57.3	-13.6	0	0	0	114	Q739	N737-Q739 PolarHBondContact O-N 3.45Å
738	G	86.1	Confident	91.5	Very high	23 Å²	23	34.7 Å²	34.7	24%	0.237	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	12	-176.7	0	0	0	0	0	115.3	P395 K396 L736	P395-G738 VanDerWaalsContact CB-O 3.31Å; P395-G738 WeakPolarHBondContact CB-O 3.3Å; K396-G738 PolarHBondContact N-O 2.85Å; L736-G738 PolarHBondContact O-N 2.84Å; L736-G738 VanDerWaalsContact O-N 3.15Å
739	Q	92.6	Very high	91.6	Very high	138 Å²	138	32.5 Å²	32.5	65%	0.645	18%	0.176	S	C	*	.	B	Isolated β-bridge	trans	-117.5	178.4	177.7	-54.3	-164.5	25.5	0	0	112.2	F735 L736 N737	F735-Q739 VanDerWaalsContact CA-O 3.3Å; F735-Q739 WeakPolarHBondContact CA-O 3.43Å; F735-Q739 WeakPolarHBondContact CB-O 3.31Å; L736-Q739 PolarHBondContact N-O 3.39Å; L736-Q739 VanDerWaalsContact N-O 3.12Å; L736-Q739 WeakPolarHBondContact O-CA 3.49Å; L736-Q739 WeakPolarHBondContact O-CB 3.28Å; L736-Q739 PolarHBondContact O-N 3.41Å; N737-Q739 PolarHBondContact O-N 3.45Å
740	N	94.5	Very high	92.2	Very high	45 Å²	45	33.4 Å²	33.4	24%	0.241	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-70.8	131.3	173.2	-79.3	-41.2	0	0	0	109.3	P395 G769 T770 V771	P395-N740 HydrophobicContact CG-CB 4.31Å; P395-N740 VanDerWaalsContact CG-OD1 3.23Å; P395-N740 WeakPolarHBondContact CG-OD1 3.24Å; N740-G769 PolarHBondContact ND2-O 2.86Å; N740-T770 WeakPolarHBondContact OD1-CA 3.23Å; N740-V771 HydrophobicContact CB-CG2 3.74Å; N740-V771 PolarHBondContact OD1-N 2.94Å
741	P	95.3	Very high	93.2	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.013	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-63.4	146.2	174	-17.3	29.7	0	0	0	111.5	L99 F734 T745 V762	L99-P741 HydrophobicContact CD2-CG 4.47Å; F734-P741 HydrophobicContact CD2-CG 3.77Å; F734-P741 HydrophobicContact CE2-CG 4.23Å; F734-P741 VanDerWaalsContact O-CD 3.3Å; F734-P741 WeakPolarHBondContact O-CD 3.16Å; F734-P741 WeakPolarHBondContact O-CG 3.4Å; P741-T745 HydrophobicContact CB-CG2 3.93Å; P741-T745 WeakPolarHBondContact CB-OG1 3.37Å; P741-V762 HydrophobicContact CB-CG2 4.42Å
742	P	96.1	Very high	93.5	Very high	44 Å²	44	24.9 Å²	24.9	29%	0.286	14%	0.137	S	C	.	.	P	Polyproline II helix	trans	-70.8	161	179.2	28.5	-34.9	0	0	0	112.8	I437 L736 G744 T745	I437-P742 HydrophobicContact CD1-CG 3.59Å; I437-P742 HydrophobicContact CG1-CG 4.21Å; L736-P742 HydrophobicContact CD2-CG 4.42Å; P742-G744 PolarHBondContact O-N 3.45Å; P742-T745 WeakPolarHBondContact CD-OG1 3.43Å; P742-T745 WeakPolarHBondContact O-CB 3.41Å; P742-T745 PolarHBondContact O-N 3.39Å; P742-T745 PolarHBondContact O-OG1 3.23Å
743	P	97.3	Very high	93.4	Very high	10 Å²	10	25.3 Å²	25.3	7%	0.065	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	135.7	167.4	-26.3	36.2	0	0	0	112.1	A456 V762 Q765 Y795	A456-P743 HydrophobicContact CB-CB 3.66Å; A456-P743 HydrophobicContact CB-CG 3.81Å; P743-V762 CarbonylContact C-O 3.54Å; P743-V762 WeakPolarHBondContact CA-O 3.36Å; P743-Q765 HydrophobicContact CG-CB 3.95Å; P743-Q765 HydrophobicContact CG-CG 4.19Å; P743-Y795 VanDerWaalsContact C-OH 3.28Å; P743-Y795 WeakPolarHBondContact CB-OH 3.23Å
744	G	97.3	Very high	93.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-3.2	-177	0	0	0	0	0	114.7	I438 P742 I746 V762 Y795	I438-G744 PolarHBondContact N-O 2.97Å; P742-G744 PolarHBondContact O-N 3.45Å; G744-I746 PolarHBondContact O-N 2.87Å; G744-V762 PolarHBondContact N-O 2.84Å; G744-Y795 VanDerWaalsContact CA-CZ 3.46Å; G744-Y795 PolarHBondContact N-OH 3.2Å
745	T	97.9	Very high	92.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	127.3	175.1	-50.9	0	0	0	0	111.6	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 3.59Å; R436-T745 WeakPolarHBondContact O-CA 3.41Å; F734-T745 HydrophobicContact CE2-CG2 4.06Å; P741-T745 HydrophobicContact CB-CG2 3.93Å; P741-T745 WeakPolarHBondContact CB-OG1 3.37Å; P742-T745 WeakPolarHBondContact CD-OG1 3.43Å; P742-T745 WeakPolarHBondContact O-CB 3.41Å; P742-T745 PolarHBondContact O-N 3.39Å; P742-T745 PolarHBondContact O-OG1 3.23Å; T745-L761 WeakPolarHBondContact O-CA 3.45Å; T745-V762 PolarHBondContact O-N 3Å
746	I	98.1	Very high	92.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146	177.9	-72	-173.2	0	0	0	111.5	G435 R436 I438 G744 D748 Y760 L761 Q791	G435-I746 WeakPolarHBondContact CA-O 3.39Å; R436-I746 PolarHBondContact N-O 3.11Å; R436-I746 VanDerWaalsContact N-O 3.07Å; R436-I746 PolarHBondContact O-N 2.99Å; I438-I746 HydrophobicContact CD1-CD1 3.45Å; I438-I746 VanDerWaalsContact CD1-CD1 3.45Å; I438-I746 HydrophobicContact CD1-CG1 4.29Å; I438-I746 HydrophobicContact CG1-CD1 4.05Å; G744-I746 PolarHBondContact O-N 2.87Å; I746-D748 HydrophobicContact CG2-CB 4.19Å; I746-Y760 VanDerWaalsContact CA-O 3.28Å; I746-Y760 WeakPolarHBondContact CA-O 3.35Å; I746-L761 HydrophobicContact CD1-CD1 4.23Å; I746-L761 HydrophobicContact CG1-CB 4.16Å; I746-L761 HydrophobicContact CG1-CD1 3.71Å; I746-Q791 HydrophobicContact CD1-CB 3.61Å; I746-Q791 HydrophobicContact CD1-CG 3.92Å
747	V	97	Very high	92.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	117.5	163.5	-178.9	0	0	0	0	109.1	L99 V433 F734 D749 I751 Y760	L99-V747 HydrophobicContact CD1-CG2 3.52Å; V433-V747 HydrophobicContact CG1-CG1 3.6Å; F734-V747 HydrophobicContact CD1-CG2 4.09Å; F734-V747 HydrophobicContact CD2-CG2 4.07Å; F734-V747 HydrophobicContact CE1-CB 4.27Å; F734-V747 HydrophobicContact CE1-CG2 3.95Å; F734-V747 HydrophobicContact CE2-CG2 3.93Å; F734-V747 HydrophobicContact CG-CG2 4.15Å; F734-V747 HydrophobicContact CZ-CB 4.38Å; F734-V747 HydrophobicContact CZ-CG2 3.86Å; V747-D749 WeakPolarHBondContact CG1-O 3.26Å; V747-I751 HydrophobicContact CG1-CD1 3.9Å; V747-I751 HydrophobicContact CG1-CG1 3.61Å; V747-Y760 PolarHBondContact N-O 2.9Å; V747-Y760 PolarHBondContact O-N 3.25Å
748	D	94.5	Very high	92.5	Very high	5 Å²	5	21 Å²	21	3%	0.027	12%	0.117	C	C	.	.			trans	-128	20.8	-175.9	53.6	-11.1	0	0	0	113.1	K90 G91 R436 I746 F759 Q791	K90-D748 VanDerWaalsContact CA-OD2 3.31Å; K90-D748 WeakPolarHBondContact CA-OD2 3.38Å; G91-D748 PolarHBondContact N-OD2 2.82Å; R436-D748 IonicContact CZ-OD2 3.46Å; R436-D748 IonicContact NH2-OD1 3.54Å; R436-D748 IonicContact NH2-OD2 2.7Å; R436-D748 PolarHBondContact NH2-OD2 3.2Å; I746-D748 HydrophobicContact CG2-CB 4.19Å; D748-F759 HydrophobicContact CB-CB 3.8Å; D748-Q791 PolarHBondContact OD2-NE2 3.06Å
749	D	87.9	Confident	93	Very high	22 Å²	22	20 Å²	20	12%	0.118	11%	0.106	C	C	.	.	S	Bend	trans	-148.3	169.3	177.7	-170.4	28.4	0	0	0	110.8	K90 V747 I751 T752	K90-D749 HydrophobicContact CD-CB 4.03Å; K90-D749 VanDerWaalsContact CE-OD2 3.24Å; K90-D749 WeakPolarHBondContact CE-OD2 3.41Å; K90-D749 HydrophobicContact CG-CB 4.26Å; K90-D749 IonicContact NZ-OD1 3.88Å; K90-D749 IonicContact NZ-OD2 3.47Å; K90-D749 PolarHBondContact NZ-OD2 3.07Å; V747-D749 WeakPolarHBondContact CG1-O 3.26Å; D749-I751 PolarHBondContact O-N 3.07Å; D749-T752 WeakPolarHBondContact CA-OG1 3.26Å
750	V	88.8	Confident	93.3	Very high	35 Å²	35	14.3 Å²	14.3	21%	0.212	8%	0.078	C	C	.	.	S	Bend	trans	60	-47.1	171.8	-168.8	0	0	0	0	117.3	H244 L249 T431 V433	H244-V750 WeakPolarHBondContact CB-O 3.48Å; L249-V750 WeakPolarHBondContact CD1-O 3.14Å; T431-V750 HydrophobicContact CG2-CG1 4.06Å; V433-V750 HydrophobicContact CB-CB 4.42Å; V433-V750 HydrophobicContact CG1-CB 3.86Å; V433-V750 HydrophobicContact CG1-CG2 3.99Å; V433-V750 HydrophobicContact CG2-CB 3.74Å; V433-V750 HydrophobicContact CG2-CG1 3.78Å; V433-V750 HydrophobicContact CG2-CG2 4.39Å
751	I	91.6	Very high	93.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-108.2	0.7	176.5	55.8	165.4	0	0	0	113.3	T101 F103 H244 L249 V433 T732 F734 V747 D749 Y760	T101-I751 HydrophobicContact CG2-CD1 4.03Å; T101-I751 HydrophobicContact CG2-CG2 4.06Å; F103-I751 HydrophobicContact CB-CG2 4.36Å; F103-I751 HydrophobicContact CD1-CG2 4.43Å; F103-I751 HydrophobicContact CD2-CB 4.4Å; F103-I751 HydrophobicContact CD2-CG2 3.7Å; F103-I751 HydrophobicContact CE2-CB 4.26Å; F103-I751 HydrophobicContact CE2-CG2 4.06Å; F103-I751 HydrophobicContact CG-CG2 3.91Å; H244-I751 PolarHBondContact CE1-O 2.86Å; H244-I751 PolarHBondContact ND1-O 2.81Å; L249-I751 HydrophobicContact CD1-CG2 3.86Å; V433-I751 HydrophobicContact CG2-CG2 4.15Å; T732-I751 HydrophobicContact CG2-CD1 3.89Å; F734-I751 HydrophobicContact CD1-CD1 3.97Å; V747-I751 HydrophobicContact CG1-CD1 3.9Å; V747-I751 HydrophobicContact CG1-CG1 3.61Å; D749-I751 PolarHBondContact O-N 3.07Å; I751-Y760 HydrophobicContact CD1-CD2 4.47Å; I751-Y760 HydrophobicContact CD1-CE2 4.45Å; I751-Y760 HydrophobicContact CG1-CE2 4.33Å
752	T	92.1	Very high	93.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-72	174.2	161.9	51.4	0	0	0	0	111.3	K89 H244 E245 D749 D758 Y760	K89-T752 WeakPolarHBondContact CE-OG1 3Å; H244-T752 PolarHBondContact ND1-O 3.06Å; E245-T752 VanDerWaalsContact CD-OG1 3.27Å; E245-T752 VanDerWaalsContact CG-OG1 3.28Å; E245-T752 WeakPolarHBondContact CG-OG1 3.05Å; E245-T752 VanDerWaalsContact OE1-C 3.26Å; E245-T752 WeakPolarHBondContact OE1-CB 3.24Å; E245-T752 PolarHBondContact OE1-OG1 2.9Å; D749-T752 WeakPolarHBondContact CA-OG1 3.26Å; T752-D758 WeakPolarHBondContact CB-OD1 3.3Å; T752-D758 WeakPolarHBondContact CG2-O 3.16Å; T752-Y760 HydrophobicContact CG2-CD2 4.33Å; T752-Y760 HydrophobicContact CG2-CE2 4.34Å
753	L	88.3	Confident	93.6	Very high	16 Å²	16	10.2 Å²	10.2	8%	0.084	5%	0.054	C	C	.	.			trans	-109.3	135.4	-177.6	-68.7	172.4	0	0	0	112.2	K89 R242 E245 E755 R756 D758	K89-L753 PolarHBondContact NZ-O 3.42Å; R242-L753 HydrophobicContact CB-CD2 4.43Å; E245-L753 PolarHBondContact OE1-N 3.01Å; L753-E755 VanDerWaalsContact C-N 3.3Å; L753-E755 WeakPolarHBondContact CB-OE2 3.43Å; L753-E755 PolarHBondContact O-N 3.3Å; L753-R756 HydrophobicContact CB-CB 4.46Å; L753-R756 HydrophobicContact CB-CG 4.07Å; L753-R756 VanDerWaalsContact CD1-NE 3.28Å; L753-R756 PolarHBondContact O-N 3.27Å; L753-D758 PolarHBondContact N-OD1 2.82Å; L753-D758 PolarHBondContact N-OD2 3.3Å
754	P	86.7	Confident	93.4	Very high	42 Å²	42	12.4 Å²	12.4	27%	0.273	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-37.6	-168.9	-22.2	32.4	0	0	0	113.6	R82 Q243 H244 R756	R82-P754 VanDerWaalsContact CD-O 3.27Å; R82-P754 WeakPolarHBondContact CD-O 3.46Å; R82-P754 PolarHBondContact NH1-O 3.23Å; Q243-P754 HydrophobicContact CG-CG 4.39Å; H244-P754 VanDerWaalsContact C-CG 3.48Å; H244-P754 WeakPolarHBondContact O-CG 3.13Å; P754-R756 PolarHBondContact O-N 3.42Å
755	E	85	Confident	93.1	Very high	17 Å²	17	14.7 Å²	14.7	8%	0.079	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	1.5	-178.5	84.3	-75.1	-178.2	0	0	113.4	Y78 N80 T81 R82 L753	Y78-E755 HydrophobicContact CD1-CB 4.19Å; Y78-E755 HydrophobicContact CD1-CG 3.66Å; Y78-E755 HydrophobicContact CE1-CB 3.94Å; Y78-E755 HydrophobicContact CE1-CG 3.42Å; Y78-E755 VanDerWaalsContact CE1-CG 3.42Å; Y78-E755 WeakPolarHBondContact CE1-OE1 3.49Å; N80-E755 CarbonylContact C-O 3.53Å; N80-E755 WeakPolarHBondContact CA-O 3.27Å; N80-E755 HydrophobicContact CB-CB 4.44Å; N80-E755 PolarHBondContact OD1-O 3.31Å; T81-E755 PolarHBondContact N-O 3.45Å; R82-E755 PolarHBondContact N-O 3.5Å; R82-E755 VanDerWaalsContact N-O 3.15Å; L753-E755 VanDerWaalsContact C-N 3.3Å; L753-E755 WeakPolarHBondContact CB-OE2 3.43Å; L753-E755 PolarHBondContact O-N 3.3Å
756	R	88.8	Confident	92.6	Very high	30 Å²	30	17.2 Å²	17.2	11%	0.113	9%	0.089	C	C	.	.			trans	-121.3	144.7	-170.9	-57.9	-175.6	-162	-132.8	-18	112.5	T81 K89 L692 L753 P754 D758	T81-R756 WeakPolarHBondContact OG1-CA 3.42Å; K89-R756 VanDerWaalsContact CD-O 3.28Å; K89-R756 WeakPolarHBondContact CD-O 3.17Å; K89-R756 PolarHBondContact NZ-O 2.82Å; L692-R756 VanDerWaalsContact CD1-NH1 3.3Å; L753-R756 HydrophobicContact CB-CB 4.46Å; L753-R756 HydrophobicContact CB-CG 4.07Å; L753-R756 VanDerWaalsContact CD1-NE 3.28Å; L753-R756 PolarHBondContact O-N 3.27Å; P754-R756 PolarHBondContact O-N 3.42Å; R756-D758 VanDerWaalsContact C-N 3.27Å; R756-D758 HydrophobicContact CB-CB 3.81Å; R756-D758 WeakPolarHBondContact CB-OD1 3.42Å; R756-D758 PolarHBondContact O-N 2.89Å
757	Y	93.3	Very high	92	Very high	8 Å²	8	26.7 Å²	26.7	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	75.9	153	-177.8	-170.4	0	0	0	108.5	T81 L86 K89 V778 P787	T81-Y757 PolarHBondContact OG1-N 2.93Å; L86-Y757 HydrophobicContact CD2-CD1 3.65Å; L86-Y757 HydrophobicContact CD2-CD2 3.72Å; L86-Y757 HydrophobicContact CD2-CE1 4.06Å; L86-Y757 HydrophobicContact CD2-CE2 4.13Å; L86-Y757 HydrophobicContact CD2-CG 3.48Å; L86-Y757 VanDerWaalsContact CD2-CG 3.48Å; K89-Y757 HydrophobicContact CB-CD2 3.93Å; K89-Y757 HydrophobicContact CB-CE2 4.29Å; Y757-V778 HydrophobicContact CD1-CB 3.6Å; Y757-V778 HydrophobicContact CD1-CG1 3.76Å; Y757-V778 HydrophobicContact CD1-CG2 3.94Å; Y757-V778 HydrophobicContact CD2-CG2 4.29Å; Y757-V778 HydrophobicContact CE1-CB 4.09Å; Y757-V778 HydrophobicContact CE1-CG1 4.01Å; Y757-V778 HydrophobicContact CE1-CG2 4Å; Y757-V778 HydrophobicContact CE2-CG2 4.33Å; Y757-V778 HydrophobicContact CG-CB 3.86Å; Y757-V778 HydrophobicContact CG-CG2 4.08Å; Y757-V778 WeakPolarHBondContact O-CB 3.36Å; Y757-V778 PolarHBondContact O-N 3.45Å; Y757-P787 HydrophobicContact CE2-CB 4.2Å; Y757-P787 HydrophobicContact CE2-CG 4.25Å; Y757-P787 WeakPolarHBondContact OH-CA 3.45Å
758	D	93.9	Very high	91.3	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	154.6	179.5	69.8	-21.5	0	0	0	114	K89 T752 L753 R756 Y776 N777	K89-D758 IonicContact NZ-OD1 2.67Å; K89-D758 PolarHBondContact NZ-OD1 3.01Å; T752-D758 WeakPolarHBondContact CB-OD1 3.3Å; T752-D758 WeakPolarHBondContact CG2-O 3.16Å; L753-D758 PolarHBondContact N-OD1 2.82Å; L753-D758 PolarHBondContact N-OD2 3.3Å; R756-D758 VanDerWaalsContact C-N 3.27Å; R756-D758 HydrophobicContact CB-CB 3.81Å; R756-D758 WeakPolarHBondContact CB-OD1 3.42Å; R756-D758 PolarHBondContact O-N 2.89Å; D758-Y776 CarbonylContact C-O 3.4Å; D758-Y776 WeakPolarHBondContact CA-O 3.32Å; D758-Y776 WeakPolarHBondContact CB-O 3.17Å; D758-N777 HydrophobicContact CB-CB 4.16Å
759	F	96.8	Very high	90.9	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	160.8	172.6	63.3	-88	0	0	0	111.2	D748 L761 S775 Y776 Q791 T794	D748-F759 HydrophobicContact CB-CB 3.8Å; F759-L761 HydrophobicContact CD2-CB 4.4Å; F759-L761 HydrophobicContact CE2-CB 4.3Å; F759-S775 WeakPolarHBondContact O-CA 3.2Å; F759-Y776 HydrophobicContact CD2-CD2 4.13Å; F759-Y776 AromaticContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CE2 4.46Å; F759-Y776 AromaticContact CE2-CG 3.83Å; F759-Y776 HydrophobicContact CE2-CG 3.83Å; F759-Y776 HydrophobicContact CZ-CD2 4.14Å; F759-Y776 AromaticContact CZ-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CG 3.84Å; F759-Y776 PolarHBondContact N-O 3.25Å; F759-Y776 PolarHBondContact O-N 2.81Å; F759-Q791 HydrophobicContact CD1-CG 4.01Å; F759-Q791 HydrophobicContact CD2-CG 3.89Å; F759-Q791 HydrophobicContact CE1-CG 4Å; F759-Q791 HydrophobicContact CE2-CB 4.44Å; F759-Q791 HydrophobicContact CE2-CG 3.88Å; F759-Q791 HydrophobicContact CG-CG 3.96Å; F759-Q791 HydrophobicContact CZ-CG 3.94Å; F759-T794 HydrophobicContact CE2-CG2 4.42Å; F759-T794 HydrophobicContact CZ-CG2 4.26Å
760	Y	97.6	Very high	91	Very high	18 Å²	18	33.3 Å²	33.3	7%	0.071	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.5	168.7	-61.5	-86.6	0	0	0	110.5	T732 F734 I746 V747 I751 T752 P773 T774	T732-Y760 HydrophobicContact CG2-CD1 4.09Å; T732-Y760 HydrophobicContact CG2-CD2 4.46Å; T732-Y760 HydrophobicContact CG2-CE1 3.6Å; T732-Y760 HydrophobicContact CG2-CE2 4.02Å; T732-Y760 HydrophobicContact CG2-CG 4.49Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.44Å; T732-Y760 PolarHBondContact OG1-OH 3.13Å; T732-Y760 VanDerWaalsContact OG1-OH 3.09Å; F734-Y760 HydrophobicContact CE1-CG 4.21Å; I746-Y760 VanDerWaalsContact CA-O 3.28Å; I746-Y760 WeakPolarHBondContact CA-O 3.35Å; V747-Y760 PolarHBondContact N-O 2.9Å; V747-Y760 PolarHBondContact O-N 3.25Å; I751-Y760 HydrophobicContact CD1-CD2 4.47Å; I751-Y760 HydrophobicContact CD1-CE2 4.45Å; I751-Y760 HydrophobicContact CG1-CE2 4.33Å; T752-Y760 HydrophobicContact CG2-CD2 4.33Å; T752-Y760 HydrophobicContact CG2-CE2 4.34Å; Y760-P773 HydrophobicContact CD1-CB 4.5Å; Y760-T774 WeakPolarHBondContact CA-O 3.3Å
761	L	97.9	Very high	91	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.6	172.7	164.2	66.9	0	0	0	109.8	T745 I746 F759 S763 T774 Y776 T794 Y795	T745-L761 WeakPolarHBondContact O-CA 3.45Å; I746-L761 HydrophobicContact CD1-CD1 4.23Å; I746-L761 HydrophobicContact CG1-CB 4.16Å; I746-L761 HydrophobicContact CG1-CD1 3.71Å; F759-L761 HydrophobicContact CD2-CB 4.4Å; F759-L761 HydrophobicContact CE2-CB 4.3Å; L761-S763 PolarHBondContact O-N 2.87Å; L761-T774 PolarHBondContact N-O 3.45Å; L761-T774 PolarHBondContact O-N 2.78Å; L761-Y776 HydrophobicContact CB-CD2 4.25Å; L761-Y776 HydrophobicContact CB-CE2 3.86Å; L761-Y776 HydrophobicContact CD2-CE2 4.22Å; L761-Y776 HydrophobicContact CG-CE2 4.48Å; L761-T794 HydrophobicContact CD2-CG2 4.13Å; L761-Y795 HydrophobicContact CD1-CD2 4.11Å; L761-Y795 HydrophobicContact CD1-CG 4.4Å; L761-Y795 HydrophobicContact CD2-CD2 4.26Å
762	V	97.6	Very high	91	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	93.9	161.5	172.7	0	0	0	0	107.2	F734 P741 P743 G744 T745 V771 P773	F734-V762 HydrophobicContact CE2-CG2 3.59Å; F734-V762 HydrophobicContact CZ-CG2 3.85Å; P741-V762 HydrophobicContact CB-CG2 4.42Å; P743-V762 CarbonylContact C-O 3.54Å; P743-V762 WeakPolarHBondContact CA-O 3.36Å; G744-V762 PolarHBondContact N-O 2.84Å; T745-V762 PolarHBondContact O-N 3Å; V762-V771 HydrophobicContact CB-CG1 4.28Å; V762-V771 HydrophobicContact CG1-CG1 3.65Å; V762-V771 HydrophobicContact CG2-CG1 3.66Å; V762-P773 HydrophobicContact CG2-CB 4.03Å
763	S	96.6	Very high	91.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	16%	0.161	C	C	.	.			trans	-85.7	-28.9	175.1	58.2	0	0	0	0	112.8	L761 T807 T808 R809	L761-S763 PolarHBondContact O-N 2.87Å; S763-T807 WeakPolarHBondContact O-CB 3.25Å; S763-T807 PolarHBondContact O-OG1 2.92Å; S763-T808 WeakPolarHBondContact CB-O 3.49Å; S763-T808 PolarHBondContact OG-O 2.8Å; S763-R809 VanDerWaalsContact OG-CA 3.28Å; S763-R809 WeakPolarHBondContact OG-CA 3.34Å; S763-R809 PolarHBondContact OG-O 3.11Å
764	Q	93.5	Very high	91.5	Very high	56 Å²	56	32.5 Å²	32.5	26%	0.262	16%	0.157	S	C	.	.	S	Bend	trans	-125.3	125.4	-171.1	176.5	170.8	60.1	0	0	112.4	T807 R809	Q764-T807 WeakPolarHBondContact CG-O 3.36Å; Q764-T807 PolarHBondContact NE2-O 2.83Å; Q764-R809 HydrophobicContact CB-CB 4.27Å
765	Q	91.3	Very high	91.9	Very high	49 Å²	49	31.2 Å²	31.2	23%	0.229	15%	0.149	C	C	.	.			trans	-67.2	155.4	170.7	54.2	138.5	-38	0	0	113	N455 P743	N455-Q765 WeakPolarHBondContact O-CG 3.44Å; N455-Q765 PolarHBondContact O-NE2 2.89Å; P743-Q765 HydrophobicContact CG-CB 3.95Å; P743-Q765 HydrophobicContact CG-CG 4.19Å
766	V	88.4	Confident	92.4	Very high	52 Å²	52	30.4 Å²	30.4	32%	0.315	15%	0.145	S	C	.	.			trans	-126.8	132.1	171.6	-54.1	0	0	0	0	111.1	Q768 V771	V766-Q768 VanDerWaalsContact C-N 3.29Å; V766-Q768 WeakPolarHBondContact CG2-O 3.28Å; V766-Q768 PolarHBondContact O-N 3.04Å; V766-V771 HydrophobicContact CG1-CG2 4.37Å; V766-V771 HydrophobicContact CG2-CG2 3.83Å
767	R	84.6	Confident	92.7	Very high	200 Å²	200	29.4 Å²	29.4	76%	0.755	14%	0.142	S	C	*	.	S	Bend	trans	-75.4	-14.8	-179.9	-60.5	-174.9	-175.4	-175.9	1.8	114.1	D457	D457-R767 IonicContact OD2-NH2 2.7Å
768	Q	81.9	Confident	92.8	Very high	136 Å²	136	29.1 Å²	29.1	64%	0.636	14%	0.141	S	C	*	.	S	Bend	trans	-149	148.9	-179.9	-70.9	-174.1	-11.6	0	0	110.2	R392 V766	R392-Q768 VanDerWaalsContact NH1-OE1 3.08Å; V766-Q768 VanDerWaalsContact C-N 3.29Å; V766-Q768 WeakPolarHBondContact CG2-O 3.28Å; V766-Q768 PolarHBondContact O-N 3.04Å
769	G	87.6	Confident	92.8	Very high	12 Å²	12	29.3 Å²	29.3	12%	0.124	14%	0.142	C	C	.	.	S	Bend	trans	74.3	-155.5	-179.3	0	0	0	0	0	113	M393 N740	M393-G769 CarbonylContact O-C 3.55Å; M393-G769 VanDerWaalsContact O-CA 3.29Å; M393-G769 WeakPolarHBondContact O-CA 3.43Å; N740-G769 PolarHBondContact ND2-O 2.86Å
770	T	88.1	Confident	92.6	Very high	18 Å²	18	33 Å²	33	11%	0.11	16%	0.156	C	C	.	.			trans	-105.1	136.8	-178	-41.7	0	0	0	0	111.4	M393 R398 F735 N740 S772	M393-T770 PolarHBondContact O-N 2.88Å; M393-T770 PolarHBondContact O-OG1 3.45Å; R398-T770 PolarHBondContact NE-OG1 3.01Å; R398-T770 PolarHBondContact NH2-OG1 3.01Å; F735-T770 HydrophobicContact CD1-CG2 4.41Å; F735-T770 HydrophobicContact CE1-CG2 3.6Å; F735-T770 HydrophobicContact CZ-CG2 4.43Å; N740-T770 WeakPolarHBondContact OD1-CA 3.23Å; T770-S772 PolarHBondContact O-N 3.44Å
771	V	90.4	Very high	92.4	Very high	4 Å²	4	34 Å²	34	2%	0.024	17%	0.166	C	C	.	.			trans	-58.1	135.9	167.7	167.5	0	0	0	0	109.8	R733 N740 V762 V766	R733-V771 WeakPolarHBondContact CD-O 3.2Å; N740-V771 HydrophobicContact CB-CG2 3.74Å; N740-V771 PolarHBondContact OD1-N 2.94Å; V762-V771 HydrophobicContact CB-CG1 4.28Å; V762-V771 HydrophobicContact CG1-CG1 3.65Å; V762-V771 HydrophobicContact CG2-CG1 3.66Å; V766-V771 HydrophobicContact CG1-CG2 4.37Å; V766-V771 HydrophobicContact CG2-CG2 3.83Å
772	S	90.2	Very high	92.3	Very high	29 Å²	29	36.1 Å²	36.1	20%	0.203	18%	0.181	C	C	.	.			trans	-108.5	109.4	168.7	-59.1	0	0	0	0	108.3	R733 T770 R809	R733-S772 PolarHBondContact NH1-OG 3.42Å; T770-S772 PolarHBondContact O-N 3.44Å; S772-R809 VanDerWaalsContact CB-CZ 3.4Å; S772-R809 VanDerWaalsContact CB-NH2 3.28Å; S772-R809 PolarHBondContact O-NE 3.16Å; S772-R809 PolarHBondContact O-NH2 3.35Å
773	P	94.9	Very high	92	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.181	C	C	.	.			trans	-63.5	163.4	-179.6	26.9	-35.1	0	0	0	111.7	S729 T732 F734 Y760 V762 R809	S729-P773 PolarHBondContact N-O 2.85Å; T732-P773 WeakPolarHBondContact O-CD 3.41Å; T732-P773 WeakPolarHBondContact O-CG 3.13Å; F734-P773 HydrophobicContact CD1-CG 4.3Å; F734-P773 HydrophobicContact CE1-CB 3.74Å; F734-P773 HydrophobicContact CE1-CG 3.74Å; F734-P773 HydrophobicContact CZ-CB 3.75Å; F734-P773 HydrophobicContact CZ-CG 4.22Å; Y760-P773 HydrophobicContact CD1-CB 4.5Å; V762-P773 HydrophobicContact CG2-CB 4.03Å; P773-R809 PolarHBondContact O-NH2 2.88Å
774	T	96.5	Very high	91.6	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.6	171.3	-61	0	0	0	0	108.8	V726 Y760 L761 Y776 R809 V810	V726-T774 HydrophobicContact CG1-CG2 3.52Å; Y760-T774 WeakPolarHBondContact CA-O 3.3Å; L761-T774 PolarHBondContact N-O 3.45Å; L761-T774 PolarHBondContact O-N 2.78Å; T774-Y776 HydrophobicContact CG2-CD2 4.2Å; T774-Y776 HydrophobicContact CG2-CE1 4.19Å; T774-Y776 HydrophobicContact CG2-CE2 3.49Å; T774-Y776 VanDerWaalsContact CG2-CE2 3.49Å; T774-Y776 VanDerWaalsContact CG2-CZ 3.49Å; T774-Y776 WeakPolarHBondContact O-CD2 3.46Å; T774-Y776 WeakPolarHBondContact O-CE2 3.37Å; T774-R809 WeakPolarHBondContact CB-O 3.34Å; T774-R809 WeakPolarHBondContact OG1-CG 3.1Å; T774-R809 PolarHBondContact OG1-NE 3.07Å; T774-R809 PolarHBondContact OG1-O 2.81Å; T774-V810 HydrophobicContact CG2-CG1 4.25Å
775	S	95.2	Very high	91.5	Very high	15 Å²	15	38.9 Å²	38.9	11%	0.105	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.3	173.7	176.3	0	0	0	0	109.1	T727 F759	T727-S775 PolarHBondContact N-O 2.96Å; T727-S775 PolarHBondContact O-N 3.01Å; F759-S775 WeakPolarHBondContact O-CA 3.2Å
776	Y	96.4	Very high	91.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.3	176.5	-64	-92.1	0	0	0	107.2	Y683 I724 V725 V726 D758 F759 L761 T774 T794 P811	Y683-Y776 HydrophobicContact CD1-CD1 4.49Å; Y683-Y776 HydrophobicContact CE1-CD1 4.36Å; Y683-Y776 HydrophobicContact CE1-CE1 4.45Å; I724-Y776 HydrophobicContact CG2-CD1 4.2Å; V725-Y776 WeakPolarHBondContact O-CA 3.44Å; V726-Y776 HydrophobicContact CB-CE1 4.42Å; V726-Y776 HydrophobicContact CG1-CD1 4.39Å; V726-Y776 HydrophobicContact CG1-CE1 3.88Å; V726-Y776 HydrophobicContact CG2-CD1 3.93Å; V726-Y776 HydrophobicContact CG2-CE1 3.85Å; D758-Y776 CarbonylContact C-O 3.4Å; D758-Y776 WeakPolarHBondContact CA-O 3.32Å; D758-Y776 WeakPolarHBondContact CB-O 3.17Å; F759-Y776 HydrophobicContact CD2-CD2 4.13Å; F759-Y776 AromaticContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CE2 4.46Å; F759-Y776 AromaticContact CE2-CG 3.83Å; F759-Y776 HydrophobicContact CE2-CG 3.83Å; F759-Y776 HydrophobicContact CZ-CD2 4.14Å; F759-Y776 AromaticContact CZ-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CG 3.84Å; F759-Y776 PolarHBondContact N-O 3.25Å; F759-Y776 PolarHBondContact O-N 2.81Å; L761-Y776 HydrophobicContact CB-CD2 4.25Å; L761-Y776 HydrophobicContact CB-CE2 3.86Å; L761-Y776 HydrophobicContact CD2-CE2 4.22Å; L761-Y776 HydrophobicContact CG-CE2 4.48Å; T774-Y776 HydrophobicContact CG2-CD2 4.2Å; T774-Y776 HydrophobicContact CG2-CE1 4.19Å; T774-Y776 HydrophobicContact CG2-CE2 3.49Å; T774-Y776 VanDerWaalsContact CG2-CE2 3.49Å; T774-Y776 VanDerWaalsContact CG2-CZ 3.49Å; T774-Y776 WeakPolarHBondContact O-CD2 3.46Å; T774-Y776 WeakPolarHBondContact O-CE2 3.37Å; Y776-T794 HydrophobicContact CD1-CG2 3.64Å; Y776-T794 HydrophobicContact CD2-CG2 4.32Å; Y776-T794 HydrophobicContact CE1-CG2 3.33Å; Y776-T794 HydrophobicContact CE2-CG2 4.08Å; Y776-T794 HydrophobicContact CG-CG2 4.13Å; Y776-P811 HydrophobicContact CE1-CG 3.92Å
777	N	94.3	Very high	91.9	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.3	177.3	-178.3	19.6	0	0	0	109	T81 I724 V725 D758 L779	T81-N777 PolarHBondContact OG1-OD1 3.36Å; T81-N777 VanDerWaalsContact OG1-OD1 3.07Å; I724-N777 WeakPolarHBondContact CA-O 3.46Å; V725-N777 PolarHBondContact N-O 3.27Å; V725-N777 PolarHBondContact O-N 3.44Å; D758-N777 HydrophobicContact CB-CB 4.16Å; N777-L779 HydrophobicContact CB-CD2 4.5Å; N777-L779 VanDerWaalsContact ND2-CD2 3.33Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.4Å; N777-L779 PolarHBondContact O-N 2.94Å
778	V	95.1	Very high	92.4	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	113.8	174.8	-172.9	0	0	0	0	107.3	T81 I724 Y757 Y780	T81-V778 VanDerWaalsContact CB-O 3.32Å; T81-V778 WeakPolarHBondContact CB-O 3.47Å; T81-V778 PolarHBondContact OG1-O 3.04Å; I724-V778 HydrophobicContact CG1-CG2 4.25Å; I724-V778 HydrophobicContact CG2-CG2 4.48Å; Y757-V778 HydrophobicContact CD1-CB 3.6Å; Y757-V778 HydrophobicContact CD1-CG1 3.76Å; Y757-V778 HydrophobicContact CD1-CG2 3.94Å; Y757-V778 HydrophobicContact CD2-CG2 4.29Å; Y757-V778 HydrophobicContact CE1-CB 4.09Å; Y757-V778 HydrophobicContact CE1-CG1 4.01Å; Y757-V778 HydrophobicContact CE1-CG2 4Å; Y757-V778 HydrophobicContact CE2-CG2 4.33Å; Y757-V778 HydrophobicContact CG-CB 3.86Å; Y757-V778 HydrophobicContact CG-CG2 4.08Å; Y757-V778 WeakPolarHBondContact O-CB 3.36Å; Y757-V778 PolarHBondContact O-N 3.45Å; V778-Y780 WeakPolarHBondContact CG1-O 3.33Å
779	L	93	Very high	93.1	Very high	7 Å²	7	27 Å²	27	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-29.6	178.2	-53.8	-167.9	0	0	0	112	T81 L692 L695 F696 V700 Y723 V725 N777	T81-L779 HydrophobicContact CG2-CB 4.5Å; T81-L779 HydrophobicContact CG2-CD2 3.76Å; L692-L779 HydrophobicContact CD2-CD2 4.44Å; L695-L779 HydrophobicContact CD2-CD1 3.74Å; F696-L779 HydrophobicContact CD2-CB 4.17Å; F696-L779 WeakPolarHBondContact CE2-O 3.41Å; V700-L779 HydrophobicContact CG2-CD1 4.23Å; Y723-L779 HydrophobicContact CD1-CB 4.2Å; Y723-L779 HydrophobicContact CD1-CD1 3.93Å; Y723-L779 HydrophobicContact CD1-CG 4.11Å; Y723-L779 HydrophobicContact CE1-CD1 3.88Å; Y723-L779 HydrophobicContact CE1-CG 4.47Å; Y723-L779 PolarHBondContact O-N 3.46Å; V725-L779 HydrophobicContact CG2-CD1 3.63Å; V725-L779 HydrophobicContact CG2-CD2 4.23Å; 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 3.4Å; N777-L779 PolarHBondContact O-N 2.94Å
780	Y	94.2	Very high	93.5	Very high	79 Å²	79	26.5 Å²	26.5	31%	0.31	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	143.4	-179.8	178.8	-91.4	0	0	0	109.4	V700 I704 L721 A722 Y723 V778	V700-Y780 HydrophobicContact CG1-CG 4.35Å; I704-Y780 HydrophobicContact CD1-CD1 4.11Å; I704-Y780 HydrophobicContact CD1-CD2 3.77Å; I704-Y780 HydrophobicContact CD1-CE1 4.03Å; I704-Y780 HydrophobicContact CD1-CE2 3.68Å; I704-Y780 HydrophobicContact CD1-CG 3.98Å; I704-Y780 HydrophobicContact CG1-CE1 4.4Å; L721-Y780 HydrophobicContact CB-CD1 4.38Å; L721-Y780 HydrophobicContact CB-CE1 4.13Å; L721-Y780 HydrophobicContact CD2-CD1 4.07Å; L721-Y780 HydrophobicContact CD2-CE1 4.21Å; L721-Y780 HydrophobicContact CG-CD1 4.15Å; L721-Y780 HydrophobicContact CG-CE1 4.34Å; A722-Y780 WeakPolarHBondContact CA-O 3.22Å; Y723-Y780 PolarHBondContact N-O 3.49Å; V778-Y780 WeakPolarHBondContact CG1-O 3.33Å
781	S	93.7	Very high	93.9	Very high	39 Å²	39	25.7 Å²	25.7	27%	0.273	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	120.8	173.8	-176.8	0	0	0	0	112	L721 M783	L721-S781 CarbonylContact O-C 3.58Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.39Å; S781-M783 PolarHBondContact OG-N 2.83Å
782	S	94.7	Very high	94.3	Very high	46 Å²	46	28.7 Å²	28.7	32%	0.322	17%	0.171	S	C	.	.			trans	-111.9	20.2	164.1	58.7	0	0	0	0	112.2	Q720 L721 G784	Q720-S782 PolarHBondContact NE2-O 2.94Å; Q720-S782 VanDerWaalsContact NE2-O 3.13Å; L721-S782 PolarHBondContact N-OG 3.43Å; L721-S782 PolarHBondContact O-N 3.19Å; L721-S782 PolarHBondContact O-OG 3.29Å; S782-G784 PolarHBondContact O-N 3.11Å
783	M	91.6	Very high	94.6	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.02	16%	0.163	C	C	.	.	S	Bend	trans	-73.2	-19.4	-173	-72.2	-68.9	-67.7	0	0	115.5	R679 V681 Q720 A722 S781 L785 M790	R679-M783 HydrophobicContact CB-CE 4.13Å; R679-M783 HydrophobicContact CB-SD 4.24Å; R679-M783 HydrophobicContact CG-CE 4.45Å; V681-M783 HydrophobicContact CG2-CE 3.75Å; V681-M783 HydrophobicContact CG2-SD 4.18Å; Q720-M783 HydrophobicContact CB-SD 3.81Å; Q720-M783 PolarHBondContact NE2-O 3.3Å; A722-M783 HydrophobicContact CB-CG 3.56Å; S781-M783 PolarHBondContact OG-N 2.83Å; M783-L785 HydrophobicContact CB-CB 4.28Å; M783-L785 HydrophobicContact CB-CD1 4.38Å; M783-L785 HydrophobicContact CB-CG 4.18Å; M783-L785 HydrophobicContact CE-CD1 3.67Å; M783-L785 HydrophobicContact CE-CG 4.45Å; M783-L785 PolarHBondContact O-N 3.38Å; M783-L785 VanDerWaalsContact O-N 3.12Å; M783-M790 HydrophobicContact CB-SD 4.33Å; M783-M790 HydrophobicContact CG-SD 4.43Å
784	G	88.9	Confident	94.8	Very high	80 Å²	80	27.6 Å²	27.6	83%	0.825	16%	0.163	S	C	*	.			trans	61	16	-172.5	0	0	0	0	0	114.4	S782	S782-G784 PolarHBondContact O-N 3.11Å
785	L	91.5	Very high	94.9	Very high	34 Å²	34	28 Å²	28	18%	0.178	16%	0.164	C	C	.	.			trans	-97.4	131.4	179.6	-67.9	-179.5	0	0	0	110.5	L605 M783 K789 M790	L605-L785 HydrophobicContact CD1-CD1 4.07Å; L605-L785 HydrophobicContact CD2-CD2 4.45Å; M783-L785 HydrophobicContact CB-CB 4.28Å; M783-L785 HydrophobicContact CB-CD1 4.38Å; M783-L785 HydrophobicContact CB-CG 4.18Å; M783-L785 HydrophobicContact CE-CD1 3.67Å; M783-L785 HydrophobicContact CE-CG 4.45Å; M783-L785 PolarHBondContact O-N 3.38Å; M783-L785 VanDerWaalsContact O-N 3.12Å; L785-K789 HydrophobicContact CB-CB 4.15Å; L785-K789 HydrophobicContact CD2-CB 4.25Å; L785-K789 HydrophobicContact CD2-CD 4.08Å; L785-M790 HydrophobicContact CB-CG 3.94Å; L785-M790 HydrophobicContact CB-SD 3.8Å; L785-M790 HydrophobicContact CD1-SD 3.76Å; L785-M790 HydrophobicContact CG-SD 4.38Å
786	S	93.8	Very high	95	Very high	33 Å²	33	28.3 Å²	28.3	23%	0.231	16%	0.163	C	C	.	.			trans	-62.4	157.8	173.1	54.4	0	0	0	0	112	E788 K789 M790	S786-E788 VanDerWaalsContact C-N 3.31Å; S786-E788 WeakPolarHBondContact CB-OE1 3.41Å; S786-E788 PolarHBondContact O-N 3.18Å; S786-E788 PolarHBondContact OG-OE1 2.82Å; S786-K789 WeakPolarHBondContact O-CB 3.44Å; S786-K789 PolarHBondContact O-N 2.93Å; S786-K789 VanDerWaalsContact OG-CD 3.3Å; S786-K789 WeakPolarHBondContact OG-CD 3.45Å; S786-K789 WeakPolarHBondContact OG-CE 3.48Å; S786-K789 WeakPolarHBondContact OG-CG 3.19Å; S786-M790 PolarHBondContact O-N 3.24Å; S786-M790 VanDerWaalsContact O-N 3.13Å
787	P	94.3	Very high	95.1	Very high	14 Å²	14	28.3 Å²	28.3	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-53.3	-42	-177.9	-28.5	35.6	0	0	0	114.1	L86 K89 Y757 K789 M790 Q791	L86-P787 HydrophobicContact CD1-CG 4.26Å; K89-P787 WeakPolarHBondContact O-CB 3.4Å; Y757-P787 HydrophobicContact CE2-CB 4.2Å; Y757-P787 HydrophobicContact CE2-CG 4.25Å; Y757-P787 WeakPolarHBondContact OH-CA 3.45Å; P787-K789 VanDerWaalsContact C-N 3.29Å; P787-K789 PolarHBondContact O-N 2.53Å; P787-M790 PolarHBondContact O-N 2.98Å; P787-Q791 VanDerWaalsContact O-CB 3.31Å; P787-Q791 WeakPolarHBondContact O-CB 3.34Å; P787-Q791 WeakPolarHBondContact O-CG 3.26Å; P787-Q791 PolarHBondContact O-N 3.39Å
788	E	94.4	Very high	95.3	Very high	30 Å²	30	27.9 Å²	27.9	14%	0.14	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-32.9	177.3	73.5	-99.1	129.2	0	0	113.2	T92 D93 S786 Q791 K792	T92-E788 PolarHBondContact N-OE2 2.86Å; T92-E788 PolarHBondContact OG1-OE2 2.94Å; D93-E788 HydrophobicContact CB-CB 4.05Å; D93-E788 HydrophobicContact CB-CG 4.24Å; D93-E788 WeakPolarHBondContact OD2-CG 3.39Å; S786-E788 VanDerWaalsContact C-N 3.31Å; S786-E788 WeakPolarHBondContact CB-OE1 3.41Å; S786-E788 PolarHBondContact O-N 3.18Å; S786-E788 PolarHBondContact OG-OE1 2.82Å; E788-Q791 PolarHBondContact O-N 3.34Å; E788-K792 WeakPolarHBondContact O-CB 3.48Å; E788-K792 PolarHBondContact O-N 2.99Å
789	K	95.6	Very high	95.5	Very high	111 Å²	111	27.8 Å²	27.8	48%	0.483	16%	0.161	S	C	.	.	H	α-helix	trans	-71.4	-40.9	178.6	-66.4	173.6	-169.6	170.2	0	110.6	L785 S786 P787 L793	L785-K789 HydrophobicContact CB-CB 4.15Å; L785-K789 HydrophobicContact CD2-CB 4.25Å; L785-K789 HydrophobicContact CD2-CD 4.08Å; S786-K789 WeakPolarHBondContact O-CB 3.44Å; S786-K789 PolarHBondContact O-N 2.93Å; S786-K789 VanDerWaalsContact OG-CD 3.3Å; S786-K789 WeakPolarHBondContact OG-CD 3.45Å; S786-K789 WeakPolarHBondContact OG-CE 3.48Å; S786-K789 WeakPolarHBondContact OG-CG 3.19Å; P787-K789 VanDerWaalsContact C-N 3.29Å; P787-K789 PolarHBondContact O-N 2.53Å; K789-L793 WeakPolarHBondContact O-CB 3.4Å; K789-L793 PolarHBondContact O-N 2.98Å
790	M	96.2	Very high	95.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-43.3	173.4	-68.8	-59.4	-65.5	0	0	112.1	A722 I724 M783 L785 S786 P787 T794	A722-M790 HydrophobicContact CB-CE 3.57Å; I724-M790 HydrophobicContact CD1-CE 3.71Å; M783-M790 HydrophobicContact CB-SD 4.33Å; M783-M790 HydrophobicContact CG-SD 4.43Å; L785-M790 HydrophobicContact CB-CG 3.94Å; L785-M790 HydrophobicContact CB-SD 3.8Å; L785-M790 HydrophobicContact CD1-SD 3.76Å; L785-M790 HydrophobicContact CG-SD 4.38Å; S786-M790 PolarHBondContact O-N 3.24Å; S786-M790 VanDerWaalsContact O-N 3.13Å; P787-M790 PolarHBondContact O-N 2.98Å; M790-T794 WeakPolarHBondContact O-CB 3.2Å; M790-T794 PolarHBondContact O-N 3.45Å; M790-T794 PolarHBondContact O-OG1 3.18Å
791	Q	97.8	Very high	95.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-48.3	175.6	-73.8	167	8.9	0	0	112.5	I746 D748 F759 P787 E788 T794 Y795	I746-Q791 HydrophobicContact CD1-CB 3.61Å; I746-Q791 HydrophobicContact CD1-CG 3.92Å; D748-Q791 PolarHBondContact OD2-NE2 3.06Å; F759-Q791 HydrophobicContact CD1-CG 4.01Å; F759-Q791 HydrophobicContact CD2-CG 3.89Å; F759-Q791 HydrophobicContact CE1-CG 4Å; F759-Q791 HydrophobicContact CE2-CB 4.44Å; F759-Q791 HydrophobicContact CE2-CG 3.88Å; F759-Q791 HydrophobicContact CG-CG 3.96Å; F759-Q791 HydrophobicContact CZ-CG 3.94Å; P787-Q791 VanDerWaalsContact O-CB 3.31Å; P787-Q791 WeakPolarHBondContact O-CB 3.34Å; P787-Q791 WeakPolarHBondContact O-CG 3.26Å; P787-Q791 PolarHBondContact O-N 3.39Å; E788-Q791 PolarHBondContact O-N 3.34Å; Q791-T794 WeakPolarHBondContact O-CB 3.18Å; Q791-T794 PolarHBondContact O-N 3.35Å; Q791-T794 VanDerWaalsContact O-N 3.17Å; Q791-Y795 PolarHBondContact O-N 2.91Å
792	K	97.3	Very high	96.1	Very high	68 Å²	68	23 Å²	23	30%	0.296	14%	0.136	S	C	.	.	H	α-helix	trans	-65.3	-38.1	179.1	-173.4	161	63.6	-173.6	0	111.6	D93 I438 E788 Y795 K796	D93-K792 IonicContact OD1-NZ 3.93Å; D93-K792 PolarHBondContact OD1-NZ 3.07Å; D93-K792 WeakPolarHBondContact OD2-CE 3.45Å; D93-K792 IonicContact OD2-NZ 2.63Å; D93-K792 PolarHBondContact OD2-NZ 3.33Å; I438-K792 HydrophobicContact CG2-CG 4.39Å; E788-K792 WeakPolarHBondContact O-CB 3.48Å; E788-K792 PolarHBondContact O-N 2.99Å; K792-Y795 PolarHBondContact O-N 2.7Å; K792-K796 WeakPolarHBondContact O-CG 3.49Å; K792-K796 PolarHBondContact O-N 2.87Å
793	L	97.8	Very high	96.2	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-48.8	168.7	177.2	60.1	0	0	0	111.4	L603 L605 L608 V681 K789 Y795 K796 M797	L603-L793 HydrophobicContact CD1-CD1 3.58Å; L605-L793 HydrophobicContact CD1-CD1 4.28Å; L605-L793 HydrophobicContact CD1-CD2 3.88Å; L608-L793 HydrophobicContact CD2-CD1 4.08Å; L608-L793 HydrophobicContact CD2-CD2 4.24Å; V681-L793 HydrophobicContact CG2-CD2 4.09Å; K789-L793 WeakPolarHBondContact O-CB 3.4Å; K789-L793 PolarHBondContact O-N 2.98Å; L793-Y795 VanDerWaalsContact C-N 3.29Å; L793-Y795 PolarHBondContact O-N 2.92Å; L793-K796 PolarHBondContact O-N 2.9Å; L793-M797 HydrophobicContact CD1-CG 4.15Å; L793-M797 HydrophobicContact CD1-SD 4.34Å; L793-M797 WeakPolarHBondContact O-CG 3.48Å; L793-M797 PolarHBondContact O-N 3.37Å
794	T	98.4	Very high	96.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-55.3	-45	177.2	-56.8	0	0	0	0	111.4	Y683 F759 L761 Y776 M790 Q791 M797 C798 P811	Y683-T794 HydrophobicContact CE1-CG2 4.05Å; Y683-T794 WeakPolarHBondContact OH-CA 3.41Å; Y683-T794 PolarHBondContact OH-OG1 2.69Å; F759-T794 HydrophobicContact CE2-CG2 4.42Å; F759-T794 HydrophobicContact CZ-CG2 4.26Å; L761-T794 HydrophobicContact CD2-CG2 4.13Å; Y776-T794 HydrophobicContact CD1-CG2 3.64Å; Y776-T794 HydrophobicContact CD2-CG2 4.32Å; Y776-T794 HydrophobicContact CE1-CG2 3.33Å; Y776-T794 HydrophobicContact CE2-CG2 4.08Å; Y776-T794 HydrophobicContact CG-CG2 4.13Å; M790-T794 WeakPolarHBondContact O-CB 3.2Å; M790-T794 PolarHBondContact O-N 3.45Å; M790-T794 PolarHBondContact O-OG1 3.18Å; Q791-T794 WeakPolarHBondContact O-CB 3.18Å; Q791-T794 PolarHBondContact O-N 3.35Å; Q791-T794 VanDerWaalsContact O-N 3.17Å; T794-M797 PolarHBondContact O-N 3.09Å; T794-C798 PolarHBondContact O-N 3.41Å; T794-C798 PolarHBondContact O-SG 2.78Å; T794-P811 HydrophobicContact CG2-CG 4.33Å
795	Y	98.3	Very high	96.6	Very high	8 Å²	8	25 Å²	25	3%	0.031	12%	0.117	C	C	.	.	H	α-helix	trans	-66.9	-43.7	177	-173.7	-136.4	0	0	0	112.5	I438 Q441 P743 G744 L761 Q791 K792 L793 M797 C798 H799 T807	I438-Y795 HydrophobicContact CB-CD1 3.94Å; I438-Y795 HydrophobicContact CB-CE1 4.23Å; I438-Y795 HydrophobicContact CD1-CD1 3.95Å; I438-Y795 HydrophobicContact CD1-CG 4.18Å; I438-Y795 HydrophobicContact CG2-CD1 3.95Å; I438-Y795 HydrophobicContact CG2-CE1 4.38Å; Q441-Y795 HydrophobicContact CG-CD1 4.15Å; Q441-Y795 HydrophobicContact CG-CE1 4.09Å; P743-Y795 VanDerWaalsContact C-OH 3.28Å; P743-Y795 WeakPolarHBondContact CB-OH 3.23Å; G744-Y795 VanDerWaalsContact CA-CZ 3.46Å; G744-Y795 PolarHBondContact N-OH 3.2Å; L761-Y795 HydrophobicContact CD1-CD2 4.11Å; L761-Y795 HydrophobicContact CD1-CG 4.4Å; L761-Y795 HydrophobicContact CD2-CD2 4.26Å; Q791-Y795 PolarHBondContact O-N 2.91Å; K792-Y795 PolarHBondContact O-N 2.7Å; L793-Y795 VanDerWaalsContact C-N 3.29Å; L793-Y795 PolarHBondContact O-N 2.92Å; Y795-M797 VanDerWaalsContact C-N 3.3Å; Y795-M797 PolarHBondContact O-N 3.15Å; Y795-C798 VanDerWaalsContact O-CB 3.31Å; Y795-C798 WeakPolarHBondContact O-CB 3.22Å; Y795-C798 PolarHBondContact O-N 3.06Å; Y795-H799 AromaticContact CD2-CE1 3.88Å; Y795-H799 AromaticContact CE1-CE1 3.84Å; Y795-H799 AromaticContact CE2-CE1 3.66Å; Y795-H799 AromaticContact CZ-CE1 3.64Å; Y795-H799 PolarHBondContact O-CE1 2.97Å; Y795-H799 PolarHBondContact O-ND1 2.83Å; Y795-T807 HydrophobicContact CE2-CG2 3.98Å
796	K	98.2	Very high	96.8	Very high	22 Å²	22	23.4 Å²	23.4	10%	0.096	11%	0.108	C	C	.	.	H	α-helix	trans	-54.1	-45.4	172.1	-77.6	176.1	179.2	-66.5	0	111.7	Q441 I601 E602 K792 L793 C798 H799	Q441-K796 VanDerWaalsContact OE1-CG 3.27Å; I601-K796 HydrophobicContact CG1-CB 4.06Å; I601-K796 HydrophobicContact CG1-CG 3.96Å; I601-K796 HydrophobicContact CG2-CB 4.26Å; E602-K796 WeakPolarHBondContact O-CD 3.42Å; E602-K796 VanDerWaalsContact O-CE 3.23Å; E602-K796 WeakPolarHBondContact O-CE 3.49Å; E602-K796 PolarHBondContact O-NZ 3.23Å; K792-K796 WeakPolarHBondContact O-CG 3.49Å; K792-K796 PolarHBondContact O-N 2.87Å; L793-K796 PolarHBondContact O-N 2.9Å; K796-C798 PolarHBondContact O-N 3.12Å; K796-H799 WeakPolarHBondContact O-CB 3.41Å; K796-H799 PolarHBondContact O-N 3.3Å; K796-H799 PolarHBondContact O-ND1 3.45Å
797	M	98.4	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66	-17.5	178.2	-61.9	-46.4	-68.7	0	0	113.9	T610 L635 Y683 L793 T794 Y795 H799 L800 P811 A812	T610-M797 HydrophobicContact CG2-CE 3.93Å; T610-M797 HydrophobicContact CG2-CG 4.42Å; L635-M797 HydrophobicContact CD1-CE 3.84Å; Y683-M797 HydrophobicContact CE2-CG 4.49Å; L793-M797 HydrophobicContact CD1-CG 4.15Å; L793-M797 HydrophobicContact CD1-SD 4.34Å; L793-M797 WeakPolarHBondContact O-CG 3.48Å; L793-M797 PolarHBondContact O-N 3.37Å; T794-M797 PolarHBondContact O-N 3.09Å; Y795-M797 VanDerWaalsContact C-N 3.3Å; Y795-M797 PolarHBondContact O-N 3.15Å; M797-H799 VanDerWaalsContact C-N 3.27Å; M797-H799 PolarHBondContact O-N 3.14Å; M797-L800 HydrophobicContact CE-CD1 3.8Å; M797-L800 HydrophobicContact SD-CD1 3.96Å; M797-P811 HydrophobicContact CB-CB 3.99Å; M797-A812 WeakPolarHBondContact O-CB 3.48Å; M797-A812 PolarHBondContact O-N 3.18Å
798	C	98.4	Very high	97.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-6	170.2	-68.3	0	0	0	0	114.4	T794 Y795 K796 T807 T808 V810	T794-C798 PolarHBondContact O-N 3.41Å; T794-C798 PolarHBondContact O-SG 2.78Å; Y795-C798 VanDerWaalsContact O-CB 3.31Å; Y795-C798 WeakPolarHBondContact O-CB 3.22Å; Y795-C798 PolarHBondContact O-N 3.06Å; K796-C798 PolarHBondContact O-N 3.12Å; C798-T807 WeakPolarHBondContact O-CA 3.42Å; C798-T808 WeakPolarHBondContact CB-O 3.28Å; C798-T808 PolarHBondContact O-N 2.9Å; C798-T808 PolarHBondContact O-OG1 2.94Å; C798-V810 VanDerWaalsContact SG-C 3.54Å
799	H	98.4	Very high	97.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-7.3	179.6	-64	70.2	0	0	0	113.8	I443 W458 W599 I601 Y795 K796 M797 T807	I443-H799 HydrophobicContact CD1-CB 4.33Å; W458-H799 HydrophobicContact CH2-CB 3.87Å; W458-H799 AromaticContact CH2-CD2 3.77Å; W458-H799 WeakPolarHBondContact CZ2-O 3.4Å; W458-H799 AromaticContact CZ3-CD2 3.69Å; W599-H799 PolarHBondContact NE1-O 3.01Å; I601-H799 HydrophobicContact CD1-CB 4.15Å; Y795-H799 AromaticContact CD2-CE1 3.88Å; Y795-H799 AromaticContact CE1-CE1 3.84Å; Y795-H799 AromaticContact CE2-CE1 3.66Å; Y795-H799 AromaticContact CZ-CE1 3.64Å; Y795-H799 PolarHBondContact O-CE1 2.97Å; Y795-H799 PolarHBondContact O-ND1 2.83Å; K796-H799 WeakPolarHBondContact O-CB 3.41Å; K796-H799 PolarHBondContact O-N 3.3Å; K796-H799 PolarHBondContact O-ND1 3.45Å; M797-H799 VanDerWaalsContact C-N 3.27Å; M797-H799 PolarHBondContact O-N 3.14Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.26Å
800	L	98.3	Very high	97.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.075	C	C	.	.			trans	-104.4	22.7	-164.3	-62.7	176.7	0	0	0	115.1	M600 I601 L635 M797 A812 Y816	M600-L800 HydrophobicContact CE-CD2 4.15Å; M600-L800 HydrophobicContact SD-CD1 3.96Å; M600-L800 HydrophobicContact SD-CD2 3.59Å; M600-L800 VanDerWaalsContact SD-CD2 3.59Å; M600-L800 HydrophobicContact SD-CG 4.45Å; I601-L800 HydrophobicContact CB-CD2 3.97Å; I601-L800 HydrophobicContact CB-CG 4.46Å; I601-L800 HydrophobicContact CG2-CD1 3.87Å; I601-L800 HydrophobicContact CG2-CD2 3.98Å; I601-L800 HydrophobicContact CG2-CG 4.11Å; L635-L800 HydrophobicContact CD1-CD1 3.75Å; M797-L800 HydrophobicContact CE-CD1 3.8Å; M797-L800 HydrophobicContact SD-CD1 3.96Å; L800-A812 HydrophobicContact CB-CB 3.77Å; L800-A812 VanDerWaalsContact O-CB 3.3Å; L800-A812 WeakPolarHBondContact O-CB 3.34Å; L800-Y816 WeakPolarHBondContact O-CE2 3.46Å; L800-Y816 PolarHBondContact O-OH 3.48Å
801	Y	98.3	Very high	97.3	Very high	22 Å²	22	17.3 Å²	17.3	9%	0.086	8%	0.075	C	C	.	.			trans	-98.1	94.1	179	178.3	-104.5	0	0	0	111.2	N803 W804 T808 Q815 Y816 L843	Y801-N803 HydrophobicContact CD1-CB 4.26Å; Y801-N803 HydrophobicContact CE1-CB 3.53Å; Y801-N803 PolarHBondContact O-N 3.06Å; Y801-W804 HydrophobicContact CD1-CB 3.87Å; Y801-W804 HydrophobicContact CE1-CB 4.32Å; Y801-W804 PolarHBondContact O-N 2.92Å; Y801-W804 VanDerWaalsContact O-O 3.05Å; Y801-T808 HydrophobicContact CD1-CG2 3.64Å; Y801-T808 HydrophobicContact CG-CG2 3.98Å; Y801-Q815 HydrophobicContact CD1-CG 4.14Å; Y801-Q815 HydrophobicContact CD2-CB 3.87Å; Y801-Q815 HydrophobicContact CD2-CG 3.79Å; Y801-Q815 HydrophobicContact CE1-CG 4.06Å; Y801-Q815 HydrophobicContact CE2-CB 4.14Å; Y801-Q815 HydrophobicContact CE2-CG 3.71Å; Y801-Q815 HydrophobicContact CG-CB 4.26Å; Y801-Q815 HydrophobicContact CG-CG 4Å; Y801-Y816 AromaticContact CD2-CD1 3.62Å; Y801-Y816 HydrophobicContact CD2-CD1 3.62Å; Y801-Y816 HydrophobicContact CD2-CD2 4.45Å; Y801-Y816 AromaticContact CD2-CE1 3.55Å; Y801-Y816 HydrophobicContact CD2-CE1 3.55Å; Y801-Y816 HydrophobicContact CD2-CE2 4.37Å; Y801-Y816 HydrophobicContact CD2-CG 4.09Å; Y801-Y816 AromaticContact CD2-CZ 3.95Å; Y801-Y816 AromaticContact CE2-CD1 3.65Å; Y801-Y816 HydrophobicContact CE2-CD1 3.65Å; Y801-Y816 AromaticContact CE2-CE1 3.83Å; Y801-Y816 HydrophobicContact CE2-CE1 3.83Å; Y801-Y816 HydrophobicContact CE2-CG 4.36Å; Y801-L843 HydrophobicContact CE2-CD2 4.01Å
802	Y	98.1	Very high	97.3	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.008	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.6	-165	-51.9	-37.4	0	0	0	116.9	I588 C592 T597 P598 W599 M600 Y641 W804 Y816 F840	I588-Y802 WeakPolarHBondContact CG2-O 3.17Å; C592-Y802 WeakPolarHBondContact SG-CB 3.44Å; T597-Y802 HydrophobicContact CG2-CE1 4.44Å; T597-Y802 HydrophobicContact CG2-CE2 4.15Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.43Å; P598-Y802 HydrophobicContact CG-CD2 4.43Å; P598-Y802 HydrophobicContact CG-CG 4.16Å; W599-Y802 AromaticContact CD2-CD1 3.91Å; W599-Y802 HydrophobicContact CD2-CD1 3.91Å; W599-Y802 HydrophobicContact CD2-CE1 4.3Å; W599-Y802 AromaticContact CE2-CD1 3.71Å; W599-Y802 HydrophobicContact CE3-CD1 4.19Å; W599-Y802 HydrophobicContact CG-CD1 4.49Å; W599-Y802 HydrophobicContact CG-CE1 4.44Å; W599-Y802 HydrophobicContact CH2-CD1 4.22Å; W599-Y802 AromaticContact CZ2-CD1 3.9Å; W599-Y802 HydrophobicContact CZ2-CD1 3.9Å; W599-Y802 HydrophobicContact CZ3-CD1 4.33Å; W599-Y802 VanDerWaalsContact O-CE1 3.26Å; W599-Y802 WeakPolarHBondContact O-CE1 3.46Å; W599-Y802 PolarHBondContact O-OH 3.39Å; M600-Y802 VanDerWaalsContact CE-OH 3.29Å; M600-Y802 WeakPolarHBondContact CE-OH 3.34Å; Y641-Y802 HydrophobicContact CE2-CE2 4.4Å; Y802-W804 PolarHBondContact O-N 2.92Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.27Å; Y802-Y816 VanDerWaalsContact CG-OH 3.23Å; Y802-Y816 PolarHBondContact N-OH 2.76Å; Y802-F840 HydrophobicContact CD2-CD2 4.43Å; Y802-F840 AromaticContact CD2-CE2 3.78Å; Y802-F840 HydrophobicContact CD2-CE2 3.78Å; Y802-F840 AromaticContact CD2-CZ 3.83Å; Y802-F840 HydrophobicContact CD2-CZ 3.83Å; Y802-F840 AromaticContact CE2-CE2 3.67Å; Y802-F840 HydrophobicContact CE2-CE2 3.67Å; Y802-F840 AromaticContact CE2-CZ 3.6Å; Y802-F840 HydrophobicContact CE2-CZ 3.6Å
803	N	96.1	Very high	97.4	Very high	54 Å²	54	14 Å²	14	29%	0.289	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.8	170.8	-105.2	24.2	0	0	0	113.6	Y801 L843	Y801-N803 HydrophobicContact CD1-CB 4.26Å; Y801-N803 HydrophobicContact CE1-CB 3.53Å; Y801-N803 PolarHBondContact O-N 3.06Å; N803-L843 HydrophobicContact CB-CD2 4.15Å
804	W	95.7	Very high	97.4	Very high	109 Å²	109	13.7 Å²	13.7	41%	0.413	6%	0.059	S	C	.	.	S	Bend	trans	-139.6	116.6	176.2	-173.3	-105	0	0	0	110.1	W599 Y801 Y802 G806 T807 T808	W599-W804 WeakPolarHBondContact CH2-O 3.37Å; W599-W804 WeakPolarHBondContact CZ2-O 3.1Å; Y801-W804 HydrophobicContact CD1-CB 3.87Å; Y801-W804 HydrophobicContact CE1-CB 4.32Å; Y801-W804 PolarHBondContact O-N 2.92Å; Y801-W804 VanDerWaalsContact O-O 3.05Å; Y802-W804 PolarHBondContact O-N 2.92Å; W804-G806 VanDerWaalsContact CD1-C 3.49Å; W804-G806 VanDerWaalsContact CD1-O 3.28Å; W804-G806 PolarHBondContact O-N 2.81Å; W804-T807 PolarHBondContact NE1-O 3Å; W804-T808 HydrophobicContact CB-CG2 4.23Å; W804-T808 HydrophobicContact CG-CG2 4.43Å
805	S	93.7	Very high	97.4	Very high	10 Å²	10	15.5 Å²	15.5	7%	0.07	7%	0.068	C	C	.	.	S	Bend	trans	-78.1	50.9	-178.9	55	0	0	0	0	112.5	W458 Q459	W458-S805 PolarHBondContact N-O 2.87Å; Q459-S805 VanDerWaalsContact CB-OG 3.25Å; Q459-S805 WeakPolarHBondContact CB-OG 2.88Å; Q459-S805 WeakPolarHBondContact CG-OG 3.49Å
806	G	96.2	Very high	97.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-175	179.8	-172.8	0	0	0	0	0	110.4	A456 W458 W804	A456-G806 CarbonylContact O-C 3.57Å; A456-G806 WeakPolarHBondContact O-CA 3.5Å; W458-G806 WeakPolarHBondContact CH2-O 3.11Å; W458-G806 VanDerWaalsContact CZ3-C 3.47Å; W804-G806 VanDerWaalsContact CD1-C 3.49Å; W804-G806 VanDerWaalsContact CD1-O 3.28Å; W804-G806 PolarHBondContact O-N 2.81Å
807	T	97.1	Very high	97.4	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.012	6%	0.062	C	C	.	.			trans	-70.8	140.8	174.9	42.9	0	0	0	0	113.2	A456 W458 S763 Q764 Y795 C798 H799 W804	A456-T807 HydrophobicContact CB-CG2 3.74Å; A456-T807 VanDerWaalsContact CB-OG1 3.31Å; A456-T807 WeakPolarHBondContact CB-OG1 3.43Å; A456-T807 PolarHBondContact O-N 3.34Å; W458-T807 HydrophobicContact CZ3-CG2 4.48Å; S763-T807 WeakPolarHBondContact O-CB 3.25Å; S763-T807 PolarHBondContact O-OG1 2.92Å; Q764-T807 WeakPolarHBondContact CG-O 3.36Å; Q764-T807 PolarHBondContact NE2-O 2.83Å; Y795-T807 HydrophobicContact CE2-CG2 3.98Å; C798-T807 WeakPolarHBondContact O-CA 3.42Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.26Å; W804-T807 PolarHBondContact NE1-O 3Å
808	T	96.7	Very high	97.3	Very high	7 Å²	7	17 Å²	17	4%	0.043	7%	0.074	C	C	.	.			trans	-100.3	151.1	171.7	50.4	0	0	0	0	113.3	S763 C798 Y801 W804 V810	S763-T808 WeakPolarHBondContact CB-O 3.49Å; S763-T808 PolarHBondContact OG-O 2.8Å; C798-T808 WeakPolarHBondContact CB-O 3.28Å; C798-T808 PolarHBondContact O-N 2.9Å; C798-T808 PolarHBondContact O-OG1 2.94Å; Y801-T808 HydrophobicContact CD1-CG2 3.64Å; Y801-T808 HydrophobicContact CG-CG2 3.98Å; W804-T808 HydrophobicContact CB-CG2 4.23Å; W804-T808 HydrophobicContact CG-CG2 4.43Å; T808-V810 PolarHBondContact O-N 3.07Å; T808-V810 VanDerWaalsContact O-N 3.1Å; T808-V810 PolarHBondContact OG1-O 3.12Å
809	R	95	Very high	97.3	Very high	51 Å²	51	19.4 Å²	19.4	19%	0.192	9%	0.085	C	C	.	.	S	Bend	trans	-58.3	-21.5	-179.8	179.9	169.3	-180	-166.4	3.2	115.4	R728 S729 S763 Q764 S772 P773 T774	R728-R809 PolarHBondContact O-NH2 3.12Å; S729-R809 PolarHBondContact O-NH2 2.94Å; S763-R809 VanDerWaalsContact OG-CA 3.28Å; S763-R809 WeakPolarHBondContact OG-CA 3.34Å; S763-R809 PolarHBondContact OG-O 3.11Å; Q764-R809 HydrophobicContact CB-CB 4.27Å; S772-R809 VanDerWaalsContact CB-CZ 3.4Å; S772-R809 VanDerWaalsContact CB-NH2 3.28Å; S772-R809 PolarHBondContact O-NE 3.16Å; S772-R809 PolarHBondContact O-NH2 3.35Å; P773-R809 PolarHBondContact O-NH2 2.88Å; T774-R809 WeakPolarHBondContact CB-O 3.34Å; T774-R809 WeakPolarHBondContact OG1-CG 3.1Å; T774-R809 PolarHBondContact OG1-NE 3.07Å; T774-R809 PolarHBondContact OG1-O 2.81Å
810	V	97.1	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-131.3	164.9	176.3	-59.1	0	0	0	0	109.4	V726 R728 T774 C798 T808 C814 Q815	V726-V810 HydrophobicContact CG1-CB 4.19Å; V726-V810 HydrophobicContact CG1-CG1 3.79Å; R728-V810 HydrophobicContact CG-CG1 4.18Å; T774-V810 HydrophobicContact CG2-CG1 4.25Å; C798-V810 VanDerWaalsContact SG-C 3.54Å; T808-V810 PolarHBondContact O-N 3.07Å; T808-V810 VanDerWaalsContact O-N 3.1Å; T808-V810 PolarHBondContact OG1-O 3.12Å; V810-C814 HydrophobicContact CB-CB 4.26Å; V810-C814 HydrophobicContact CG2-CB 3.88Å; V810-Q815 HydrophobicContact CG2-CB 3.92Å
811	P	98.5	Very high	97.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.085	C	C	.	.			trans	-57.4	146.5	174.8	-26	37.6	0	0	0	111.5	Y683 Y776 T794 M797 V813 C814 Q815	Y683-P811 HydrophobicContact CD1-CG 3.86Å; Y683-P811 HydrophobicContact CD2-CB 4.12Å; Y683-P811 HydrophobicContact CD2-CG 4.21Å; Y683-P811 HydrophobicContact CE1-CG 3.89Å; Y683-P811 HydrophobicContact CE2-CB 4.23Å; Y683-P811 HydrophobicContact CE2-CG 4.24Å; Y683-P811 HydrophobicContact CG-CB 4.33Å; Y683-P811 HydrophobicContact CG-CG 4.02Å; Y776-P811 HydrophobicContact CE1-CG 3.92Å; T794-P811 HydrophobicContact CG2-CG 4.33Å; M797-P811 HydrophobicContact CB-CB 3.99Å; P811-V813 VanDerWaalsContact C-N 3.27Å; P811-V813 HydrophobicContact CB-CG2 4.35Å; P811-V813 PolarHBondContact O-N 3.38Å; P811-C814 WeakPolarHBondContact O-CB 3.25Å; P811-C814 PolarHBondContact O-N 2.95Å; P811-Q815 PolarHBondContact O-N 3.26Å
812	A	98.3	Very high	97	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.1	-41.6	-172.3	0	0	0	0	0	112.8	M797 L800 C814 Q815 Y816	M797-A812 WeakPolarHBondContact O-CB 3.48Å; M797-A812 PolarHBondContact O-N 3.18Å; L800-A812 HydrophobicContact CB-CB 3.77Å; L800-A812 VanDerWaalsContact O-CB 3.3Å; L800-A812 WeakPolarHBondContact O-CB 3.34Å; A812-C814 VanDerWaalsContact C-N 3.31Å; A812-C814 PolarHBondContact O-N 3.21Å; A812-Q815 CarbonylContact O-C 3.58Å; A812-Q815 PolarHBondContact O-N 3.24Å; A812-Y816 VanDerWaalsContact C-CD2 3.49Å; A812-Y816 HydrophobicContact CB-CD2 4.17Å; A812-Y816 HydrophobicContact CB-CE2 3.85Å; A812-Y816 WeakPolarHBondContact O-CB 3.29Å; A812-Y816 WeakPolarHBondContact O-CD2 3.43Å; A812-Y816 PolarHBondContact O-N 2.91Å
813	V	98.5	Very high	97	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.1	-37.6	177.1	-65.9	0	0	0	0	113.3	T610 I630 Y641 Y683 P811 A817	T610-V813 HydrophobicContact CG2-CG1 4.38Å; T610-V813 HydrophobicContact CG2-CG2 4Å; I630-V813 HydrophobicContact CG2-CG1 4.36Å; Y641-V813 HydrophobicContact CD1-CG1 4.22Å; Y641-V813 HydrophobicContact CE1-CG1 3.75Å; Y683-V813 HydrophobicContact CD2-CG2 4.04Å; P811-V813 VanDerWaalsContact C-N 3.27Å; P811-V813 HydrophobicContact CB-CG2 4.35Å; P811-V813 PolarHBondContact O-N 3.38Å; V813-A817 VanDerWaalsContact O-CB 3.25Å; V813-A817 WeakPolarHBondContact O-CB 3.5Å; V813-A817 PolarHBondContact O-N 3.2Å
814	C	98.1	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.9	-40	173.6	-58.5	0	0	0	0	111.3	Y683 D685 V810 P811 A812 A817 K818	Y683-C814 WeakPolarHBondContact CB-SG 3.47Å; D685-C814 HydrophobicContact CB-CB 4.3Å; V810-C814 HydrophobicContact CB-CB 4.26Å; V810-C814 HydrophobicContact CG2-CB 3.88Å; P811-C814 WeakPolarHBondContact O-CB 3.25Å; P811-C814 PolarHBondContact O-N 2.95Å; A812-C814 VanDerWaalsContact C-N 3.31Å; A812-C814 PolarHBondContact O-N 3.21Å; C814-A817 PolarHBondContact O-N 2.81Å; C814-K818 VanDerWaalsContact O-CB 3.29Å; C814-K818 WeakPolarHBondContact O-CB 3.3Å; C814-K818 PolarHBondContact O-N 3.17Å
815	Q	97.9	Very high	97	Very high	39 Å²	39	13.7 Å²	13.7	18%	0.182	7%	0.066	C	C	.	.	H	α-helix	trans	-73.2	-30.9	-178.8	-166	46.9	66.7	0	0	112.3	Y801 V810 P811 A812 K819	Y801-Q815 HydrophobicContact CD1-CG 4.14Å; Y801-Q815 HydrophobicContact CD2-CB 3.87Å; Y801-Q815 HydrophobicContact CD2-CG 3.79Å; Y801-Q815 HydrophobicContact CE1-CG 4.06Å; Y801-Q815 HydrophobicContact CE2-CB 4.14Å; Y801-Q815 HydrophobicContact CE2-CG 3.71Å; Y801-Q815 HydrophobicContact CG-CB 4.26Å; Y801-Q815 HydrophobicContact CG-CG 4Å; V810-Q815 HydrophobicContact CG2-CB 3.92Å; P811-Q815 PolarHBondContact O-N 3.26Å; A812-Q815 CarbonylContact O-C 3.58Å; A812-Q815 PolarHBondContact O-N 3.24Å; Q815-K819 WeakPolarHBondContact O-CB 3.22Å; Q815-K819 PolarHBondContact O-N 3.49Å; Q815-K819 VanDerWaalsContact O-N 3.12Å
816	Y	98.6	Very high	96.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.7	-49.1	167	-70.2	-53.4	0	0	0	111.6	I630 L800 Y801 Y802 A812 K818 K819 L820 F840 Y842 L843	I630-Y816 HydrophobicContact CG2-CD2 4.49Å; L800-Y816 WeakPolarHBondContact O-CE2 3.46Å; L800-Y816 PolarHBondContact O-OH 3.48Å; Y801-Y816 AromaticContact CD2-CD1 3.62Å; Y801-Y816 HydrophobicContact CD2-CD1 3.62Å; Y801-Y816 HydrophobicContact CD2-CD2 4.45Å; Y801-Y816 AromaticContact CD2-CE1 3.55Å; Y801-Y816 HydrophobicContact CD2-CE1 3.55Å; Y801-Y816 HydrophobicContact CD2-CE2 4.37Å; Y801-Y816 HydrophobicContact CD2-CG 4.09Å; Y801-Y816 AromaticContact CD2-CZ 3.95Å; Y801-Y816 AromaticContact CE2-CD1 3.65Å; Y801-Y816 HydrophobicContact CE2-CD1 3.65Å; Y801-Y816 AromaticContact CE2-CE1 3.83Å; Y801-Y816 HydrophobicContact CE2-CE1 3.83Å; Y801-Y816 HydrophobicContact CE2-CG 4.36Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.27Å; Y802-Y816 VanDerWaalsContact CG-OH 3.23Å; Y802-Y816 PolarHBondContact N-OH 2.76Å; A812-Y816 VanDerWaalsContact C-CD2 3.49Å; A812-Y816 HydrophobicContact CB-CD2 4.17Å; A812-Y816 HydrophobicContact CB-CE2 3.85Å; A812-Y816 WeakPolarHBondContact O-CB 3.29Å; A812-Y816 WeakPolarHBondContact O-CD2 3.43Å; A812-Y816 PolarHBondContact O-N 2.91Å; Y816-K818 VanDerWaalsContact C-N 3.33Å; Y816-K818 PolarHBondContact O-N 3.29Å; Y816-K819 PolarHBondContact O-N 3.41Å; Y816-K819 VanDerWaalsContact O-N 3.09Å; Y816-L820 PolarHBondContact O-N 2.65Å; Y816-F840 AromaticContact CD1-CD1 3.95Å; Y816-F840 HydrophobicContact CD1-CD1 3.95Å; Y816-F840 AromaticContact CD1-CE1 3.92Å; Y816-F840 HydrophobicContact CD1-CE1 3.92Å; Y816-F840 HydrophobicContact CD2-CE1 4.12Å; Y816-F840 AromaticContact CE1-CD1 3.59Å; Y816-F840 HydrophobicContact CE1-CD1 3.59Å; Y816-F840 AromaticContact CE1-CE1 3.44Å; Y816-F840 HydrophobicContact CE1-CE1 3.44Å; Y816-F840 VanDerWaalsContact CE1-CE1 3.44Å; Y816-F840 HydrophobicContact CE1-CZ 4.39Å; Y816-F840 AromaticContact CE2-CE1 3.7Å; Y816-F840 HydrophobicContact CE2-CE1 3.7Å; Y816-F840 HydrophobicContact CE2-CZ 4.29Å; Y816-F840 HydrophobicContact CG-CE1 4.23Å; Y816-F840 AromaticContact CZ-CD1 3.97Å; Y816-F840 AromaticContact CZ-CE1 3.32Å; Y816-F840 AromaticContact CZ-CZ 3.93Å; Y816-Y842 AromaticContact CD1-CE2 3.93Å; Y816-Y842 HydrophobicContact CD1-CE2 3.93Å; Y816-Y842 HydrophobicContact CG-CE2 4.38Å; Y816-L843 HydrophobicContact CD1-CD2 3.97Å; Y816-L843 HydrophobicContact CE1-CD1 4.22Å; Y816-L843 HydrophobicContact CE1-CD2 3.95Å; Y816-L843 HydrophobicContact CE1-CG 4.5Å
817	A	97.6	Very high	96.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-56.1	-48.5	177.5	0	0	0	0	0	110.9	D614 A628 I630 V813 C814 K819 L820 A821	D614-A817 HydrophobicContact CB-CB 4.12Å; A628-A817 WeakPolarHBondContact CB-O 3.47Å; A628-A817 WeakPolarHBondContact O-CB 3.45Å; I630-A817 HydrophobicContact CG1-CB 3.88Å; V813-A817 VanDerWaalsContact O-CB 3.25Å; V813-A817 WeakPolarHBondContact O-CB 3.5Å; V813-A817 PolarHBondContact O-N 3.2Å; C814-A817 PolarHBondContact O-N 2.81Å; A817-K819 PolarHBondContact O-N 3.4Å; A817-L820 PolarHBondContact O-N 3.19Å; A817-A821 WeakPolarHBondContact O-CB 3.35Å; A817-A821 PolarHBondContact O-N 3.48Å
818	K	96.5	Very high	96.9	Very high	61 Å²	61	16.9 Å²	16.9	27%	0.265	8%	0.084	S	C	.	.	H	α-helix	trans	-56.2	-46.1	174.2	-172.9	166.2	-142.8	79.8	0	112.8	D614 C814 Y816 T822	D614-K818 HydrophobicContact CB-CB 4.33Å; D614-K818 IonicContact OD1-NZ 3.5Å; D614-K818 WeakPolarHBondContact OD2-CA 2.93Å; D614-K818 WeakPolarHBondContact OD2-CB 3.3Å; D614-K818 WeakPolarHBondContact OD2-CD 3.47Å; D614-K818 WeakPolarHBondContact OD2-CG 3.49Å; D614-K818 IonicContact OD2-NZ 2.72Å; D614-K818 PolarHBondContact OD2-NZ 3.46Å; C814-K818 VanDerWaalsContact O-CB 3.29Å; C814-K818 WeakPolarHBondContact O-CB 3.3Å; C814-K818 PolarHBondContact O-N 3.17Å; Y816-K818 VanDerWaalsContact C-N 3.33Å; Y816-K818 PolarHBondContact O-N 3.29Å; K818-T822 WeakPolarHBondContact O-CB 3.38Å; K818-T822 PolarHBondContact O-N 3.34Å; K818-T822 PolarHBondContact O-OG1 2.99Å
819	K	98	Very high	96.8	Very high	51 Å²	51	18.6 Å²	18.6	22%	0.222	9%	0.092	C	C	.	.	H	α-helix	trans	-64.3	-41.9	-179.1	-175.1	60.9	163.7	69.9	0	111.5	Q815 Y816 A817 L823 Y842 L843	Q815-K819 WeakPolarHBondContact O-CB 3.22Å; Q815-K819 PolarHBondContact O-N 3.49Å; Q815-K819 VanDerWaalsContact O-N 3.12Å; Y816-K819 PolarHBondContact O-N 3.41Å; Y816-K819 VanDerWaalsContact O-N 3.09Å; A817-K819 PolarHBondContact O-N 3.4Å; K819-L823 WeakPolarHBondContact O-CB 3.3Å; K819-L823 PolarHBondContact O-N 2.87Å; K819-L823 VanDerWaalsContact O-N 3.12Å; K819-Y842 HydrophobicContact CB-CD2 4.3Å; K819-Y842 HydrophobicContact CG-CD2 4.18Å; K819-Y842 WeakPolarHBondContact CG-O 3.37Å; K819-Y842 PolarHBondContact NZ-O 3.12Å; K819-L843 VanDerWaalsContact CE-O 3.22Å; K819-L843 WeakPolarHBondContact CE-O 3.21Å; K819-L843 HydrophobicContact CG-CD2 4.3Å; K819-L843 PolarHBondContact NZ-O 2.85Å
820	L	98.3	Very high	96.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68.4	-53.2	177.2	177.7	52.8	0	0	0	111.8	A628 I630 V645 Y816 A817 T822 L823 V824 Y841 Y842	A628-L820 HydrophobicContact CB-CB 4.04Å; A628-L820 HydrophobicContact CB-CD2 4.08Å; A628-L820 HydrophobicContact CB-CG 3.86Å; I630-L820 HydrophobicContact CD1-CD2 3.77Å; V645-L820 HydrophobicContact CG2-CD1 3.71Å; V645-L820 HydrophobicContact CG2-CD2 3.52Å; V645-L820 HydrophobicContact CG2-CG 3.44Å; V645-L820 VanDerWaalsContact CG2-CG 3.44Å; Y816-L820 PolarHBondContact O-N 2.65Å; A817-L820 PolarHBondContact O-N 3.19Å; L820-T822 VanDerWaalsContact C-N 3.3Å; L820-T822 PolarHBondContact O-N 2.81Å; L820-L823 WeakPolarHBondContact O-CB 3.32Å; L820-L823 PolarHBondContact O-N 3.14Å; L820-L823 VanDerWaalsContact O-N 3.16Å; L820-V824 HydrophobicContact CD1-CG2 4.18Å; L820-V824 WeakPolarHBondContact O-CG2 3.39Å; L820-V824 PolarHBondContact O-N 3.01Å; L820-Y841 HydrophobicContact CD1-CE2 4.03Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.28Å; L820-Y842 HydrophobicContact CB-CD1 4.24Å; L820-Y842 HydrophobicContact CB-CD2 3.79Å; L820-Y842 HydrophobicContact CB-CE2 4.2Å; L820-Y842 HydrophobicContact CB-CG 3.81Å; L820-Y842 HydrophobicContact CD1-CD1 3.93Å; L820-Y842 HydrophobicContact CD1-CG 3.88Å; L820-Y842 HydrophobicContact CD2-CD1 4.11Å; L820-Y842 HydrophobicContact CD2-CE1 4.22Å; L820-Y842 HydrophobicContact CG-CD1 4.31Å; L820-Y842 HydrophobicContact CG-CG 4.26Å
821	A	95.6	Very high	96.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-55.8	-44.8	177.2	0	0	0	0	0	111.8	A616 A628 A817 L823 V824 G825	A616-A821 VanDerWaalsContact CB-C 3.47Å; A616-A821 HydrophobicContact CB-CB 3.85Å; A616-A821 WeakPolarHBondContact CB-O 3.44Å; A628-A821 HydrophobicContact CB-CB 3.76Å; A817-A821 WeakPolarHBondContact O-CB 3.35Å; A817-A821 PolarHBondContact O-N 3.48Å; A821-L823 PolarHBondContact O-N 3.26Å; A821-V824 PolarHBondContact O-N 3Å; A821-G825 PolarHBondContact O-N 3.45Å
822	T	95.6	Very high	96.8	Very high	60 Å²	60	21.9 Å²	21.9	37%	0.368	12%	0.115	S	C	.	.	H	α-helix	trans	-62.2	-44	178.5	-55.8	0	0	0	0	111.5	K818 L820 V824 G825 T826	K818-T822 WeakPolarHBondContact O-CB 3.38Å; K818-T822 PolarHBondContact O-N 3.34Å; K818-T822 PolarHBondContact O-OG1 2.99Å; L820-T822 VanDerWaalsContact C-N 3.3Å; L820-T822 PolarHBondContact O-N 2.81Å; T822-V824 PolarHBondContact O-N 2.71Å; T822-G825 PolarHBondContact O-N 3.34Å; T822-T826 WeakPolarHBondContact O-CB 3.46Å; T822-T826 PolarHBondContact O-N 2.84Å; T822-T826 PolarHBondContact O-OG1 3.26Å
823	L	97.8	Very high	96.7	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.037	14%	0.136	C	C	.	.	H	α-helix	trans	-60.2	-44.3	176.5	178.3	68.6	0	0	0	111.7	Y551 K555 Y559 K819 L820 A821 N827 L828	Y551-L823 HydrophobicContact CE1-CD1 4.22Å; K555-L823 HydrophobicContact CD-CD1 4.48Å; K555-L823 HydrophobicContact CG-CD1 4.44Å; Y559-L823 HydrophobicContact CD2-CD2 4.21Å; Y559-L823 HydrophobicContact CE2-CD2 4.02Å; K819-L823 WeakPolarHBondContact O-CB 3.3Å; K819-L823 PolarHBondContact O-N 2.87Å; K819-L823 VanDerWaalsContact O-N 3.12Å; L820-L823 WeakPolarHBondContact O-CB 3.32Å; L820-L823 PolarHBondContact O-N 3.14Å; L820-L823 VanDerWaalsContact O-N 3.16Å; A821-L823 PolarHBondContact O-N 3.26Å; L823-N827 HydrophobicContact CD1-CB 4.11Å; L823-N827 WeakPolarHBondContact O-CB 3Å; L823-N827 PolarHBondContact O-N 3.33Å; L823-L828 HydrophobicContact CD2-CD1 4.46Å; L823-L828 HydrophobicContact CG-CD1 4.3Å; L823-L828 HydrophobicContact CG-CG 4.26Å; L823-L828 PolarHBondContact O-N 2.66Å
824	V	97.5	Very high	96.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-66.1	-49.5	178.5	-177.7	0	0	0	0	111.1	Y626 V645 L820 A821 T822 T826 L828 H829 P832	Y626-V824 HydrophobicContact CD1-CG1 3.56Å; Y626-V824 HydrophobicContact CD2-CB 4.4Å; Y626-V824 HydrophobicContact CD2-CG1 3.8Å; Y626-V824 HydrophobicContact CE1-CG1 3.93Å; Y626-V824 HydrophobicContact CE2-CG1 4.12Å; Y626-V824 HydrophobicContact CG-CB 4.19Å; Y626-V824 HydrophobicContact CG-CG1 3.51Å; V645-V824 HydrophobicContact CG1-CB 4.39Å; V645-V824 HydrophobicContact CG1-CG1 4.31Å; V645-V824 HydrophobicContact CG1-CG2 4.08Å; V645-V824 HydrophobicContact CG2-CG2 4.12Å; L820-V824 HydrophobicContact CD1-CG2 4.18Å; L820-V824 WeakPolarHBondContact O-CG2 3.39Å; L820-V824 PolarHBondContact O-N 3.01Å; A821-V824 PolarHBondContact O-N 3Å; T822-V824 PolarHBondContact O-N 2.71Å; V824-T826 VanDerWaalsContact C-N 3.34Å; V824-T826 PolarHBondContact O-N 2.84Å; V824-L828 HydrophobicContact CG2-CD1 4.08Å; V824-L828 PolarHBondContact O-N 3.46Å; V824-H829 PolarHBondContact O-N 3.17Å; V824-P832 HydrophobicContact CG2-CG 4.17Å
825	G	93.7	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-69.4	-25.1	-178.6	0	0	0	0	0	115.3	S618 T619 A821 T822 H829	S618-G825 WeakPolarHBondContact CA-O 3.44Å; T619-G825 PolarHBondContact N-O 3.44Å; T619-G825 PolarHBondContact OG1-O 3.3Å; A821-G825 PolarHBondContact O-N 3.45Å; T822-G825 PolarHBondContact O-N 3.34Å; G825-H829 PolarHBondContact O-CE1 3.06Å; G825-H829 PolarHBondContact O-ND1 3.41Å
826	T	92.9	Very high	96.6	Very high	53 Å²	53	32.8 Å²	32.8	33%	0.325	18%	0.183	S	C	.	.	I	π-helix	trans	-103.7	-27.4	-174	-51.6	0	0	0	0	113.7	T619 T822 V824	T619-T826 HydrophobicContact CG2-CG2 4.29Å; T822-T826 WeakPolarHBondContact O-CB 3.46Å; T822-T826 PolarHBondContact O-N 2.84Å; T822-T826 PolarHBondContact O-OG1 3.26Å; V824-T826 VanDerWaalsContact C-N 3.34Å; V824-T826 PolarHBondContact O-N 2.84Å
827	N	95.8	Very high	96.6	Very high	24 Å²	24	34.3 Å²	34.3	13%	0.128	19%	0.19	C	C	.	.	I	π-helix	trans	-132.4	-37.4	-169.2	-55.9	111.4	0	0	0	115	Y551 S552 L823	Y551-N827 HydrophobicContact CE1-CB 4.37Å; S552-N827 WeakPolarHBondContact CB-O 3.49Å; S552-N827 PolarHBondContact OG-ND2 3.14Å; L823-N827 HydrophobicContact CD1-CB 4.11Å; L823-N827 WeakPolarHBondContact O-CB 3Å; L823-N827 PolarHBondContact O-N 3.33Å
828	L	96.9	Very high	96.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.201	C	C	.	.	I	π-helix	trans	-89.3	-41.4	-176.3	-51.9	-176.7	0	0	0	112.8	K555 K556 Y559 V560 L823 V824 S830 P832	K555-L828 VanDerWaalsContact C-CD2 3.47Å; K555-L828 HydrophobicContact CB-CD2 3.71Å; K555-L828 WeakPolarHBondContact O-CD2 3.3Å; K556-L828 HydrophobicContact CB-CD2 4.46Å; Y559-L828 HydrophobicContact CD2-CD1 4.45Å; Y559-L828 HydrophobicContact CD2-CD2 4.48Å; V560-L828 HydrophobicContact CG2-CB 4.12Å; V560-L828 HydrophobicContact CG2-CD1 4.24Å; V560-L828 HydrophobicContact CG2-CD2 4.45Å; L823-L828 HydrophobicContact CD2-CD1 4.46Å; L823-L828 HydrophobicContact CG-CD1 4.3Å; L823-L828 HydrophobicContact CG-CG 4.26Å; L823-L828 PolarHBondContact O-N 2.66Å; V824-L828 HydrophobicContact CG2-CD1 4.08Å; V824-L828 PolarHBondContact O-N 3.46Å; L828-S830 PolarHBondContact O-N 2.73Å; L828-S830 VanDerWaalsContact O-N 3.13Å; L828-S830 PolarHBondContact O-OG 3.25Å; L828-P832 HydrophobicContact CD1-CG 3.82Å
829	H	95.1	Very high	96.6	Very high	44 Å²	44	37.2 Å²	37.2	20%	0.204	20%	0.202	C	C	.	.			trans	49.1	32	-172.2	-47.1	-63.4	0	0	0	113.4	S618 T619 V824 G825	S618-H829 PolarHBondContact OG-ND1 2.95Å; T619-H829 PolarHBondContact OG1-CE1 3.25Å; T619-H829 VanDerWaalsContact OG1-CE1 3.31Å; V824-H829 PolarHBondContact O-N 3.17Å; G825-H829 PolarHBondContact O-CE1 3.06Å; G825-H829 PolarHBondContact O-ND1 3.41Å
830	S	95.1	Very high	96.6	Very high	31 Å²	31	35 Å²	35	22%	0.217	19%	0.193	C	C	.	.	S	Bend	trans	-165.4	149.8	-174.4	-57.6	0	0	0	0	108.3	K556 L828	K556-S830 PolarHBondContact NZ-OG 3.48Å; L828-S830 PolarHBondContact O-N 2.73Å; L828-S830 VanDerWaalsContact O-N 3.13Å; L828-S830 PolarHBondContact O-OG 3.25Å
831	I	96.3	Very high	96.6	Very high	80 Å²	80	35.3 Å²	35.3	41%	0.41	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-71.3	135.1	-179.6	-58.9	175.7	0	0	0	109.7
832	P	97.9	Very high	96.8	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.058	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-66.6	159.2	174.6	-22.4	34.8	0	0	0	114.1	Y559 V824 L828 Y841	Y559-P832 CarbonylContact O-C 3.56Å; Y559-P832 VanDerWaalsContact O-CA 3.26Å; Y559-P832 WeakPolarHBondContact O-CA 3.49Å; V824-P832 HydrophobicContact CG2-CG 4.17Å; L828-P832 HydrophobicContact CD1-CG 3.82Å; P832-Y841 HydrophobicContact CB-CE2 3.87Å; P832-Y841 HydrophobicContact CG-CE2 3.9Å; P832-Y841 WeakPolarHBondContact CG-OH 3.44Å
833	Q	98	Very high	96.8	Very high	93 Å²	93	33 Å²	33	44%	0.435	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-63.9	133.2	175.7	-70.6	-66.4	-15.2	0	0	112.8	Y559 V560 R562 A563 A835 L836	Y559-Q833 PolarHBondContact O-N 2.82Å; V560-Q833 WeakPolarHBondContact O-CG 3.33Å; V560-Q833 PolarHBondContact O-NE2 2.85Å; R562-Q833 WeakPolarHBondContact O-CG 3.29Å; A563-Q833 HydrophobicContact CB-CB 3.89Å; A563-Q833 HydrophobicContact CB-CG 4.34Å; Q833-A835 PolarHBondContact O-N 3.42Å; Q833-A835 VanDerWaalsContact O-N 3.12Å; Q833-L836 WeakPolarHBondContact O-CB 3.41Å; Q833-L836 PolarHBondContact O-N 2.76Å
834	N	96.7	Very high	96.8	Very high	97 Å²	97	34.4 Å²	34.4	52%	0.519	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-60.9	-25.2	-176.7	-65	-15	0	0	0	113.4	L836 E837	N834-L836 PolarHBondContact O-N 2.95Å; N834-E837 HydrophobicContact CB-CG 4.35Å; N834-E837 WeakPolarHBondContact O-CB 3.38Å; N834-E837 WeakPolarHBondContact O-CG 3.26Å; N834-E837 PolarHBondContact O-N 3.38Å; N834-E837 PolarHBondContact OD1-OE1 3.13Å
835	A	97.4	Very high	96.7	Very high	78 Å²	78	36.2 Å²	36.2	65%	0.645	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-62	-7.8	175.2	0	0	0	0	0	114.4	A563 Q833	A563-A835 HydrophobicContact CB-CB 3.98Å; Q833-A835 PolarHBondContact O-N 3.42Å; Q833-A835 VanDerWaalsContact O-N 3.12Å
836	L	97.7	Very high	96.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-97.9	-5.3	174.4	-65.9	176.2	0	0	0	114.2	Y559 A563 P565 Q833 N834 K838 K839 Y841	Y559-L836 HydrophobicContact CD1-CD1 3.92Å; Y559-L836 HydrophobicContact CG-CD1 4.21Å; A563-L836 HydrophobicContact CB-CG 4.31Å; A563-L836 WeakPolarHBondContact O-CD2 3.3Å; P565-L836 HydrophobicContact CG-CD2 4.12Å; Q833-L836 WeakPolarHBondContact O-CB 3.41Å; Q833-L836 PolarHBondContact O-N 2.76Å; N834-L836 PolarHBondContact O-N 2.95Å; L836-K838 PolarHBondContact O-N 3.17Å; L836-K838 VanDerWaalsContact O-N 3.08Å; L836-K839 HydrophobicContact CD2-CD 4.32Å; L836-K839 PolarHBondContact O-N 3.48Å; L836-Y841 HydrophobicContact CB-CD1 3.53Å; L836-Y841 HydrophobicContact CB-CE1 3.71Å; L836-Y841 HydrophobicContact CB-CG 3.98Å; L836-Y841 HydrophobicContact CD1-CD1 4.42Å; L836-Y841 HydrophobicContact CD1-CD2 4.05Å; L836-Y841 HydrophobicContact CD1-CE2 4.48Å; L836-Y841 HydrophobicContact CD1-CG 4.02Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.45Å; L836-Y841 VanDerWaalsContact O-CD1 3.29Å; L836-Y841 WeakPolarHBondContact O-CD1 3.45Å; L836-Y841 WeakPolarHBondContact O-CE1 3.4Å
837	E	97.5	Very high	97.1	Very high	32 Å²	32	37.3 Å²	37.3	15%	0.15	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-34.3	-169.4	-75.7	171.7	158.2	0	0	114.6	F642 S643 K664 N834	F642-E837 CarbonylContact C-O 3.25Å; F642-E837 WeakPolarHBondContact CA-O 3.42Å; F642-E837 HydrophobicContact CD2-CB 3.87Å; F642-E837 HydrophobicContact CE2-CB 3.66Å; F642-E837 HydrophobicContact CE2-CG 3.97Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.34Å; F642-E837 HydrophobicContact CZ-CB 4.48Å; F642-E837 HydrophobicContact CZ-CG 4.38Å; S643-E837 PolarHBondContact N-O 2.66Å; S643-E837 WeakPolarHBondContact O-CA 3.47Å; S643-E837 WeakPolarHBondContact O-CG 3.11Å; S643-E837 PolarHBondContact OG-O 2.83Å; K664-E837 VanDerWaalsContact CE-OE1 3.25Å; K664-E837 WeakPolarHBondContact CE-OE1 3.44Å; K664-E837 IonicContact NZ-OE1 3.13Å; K664-E837 PolarHBondContact NZ-OE1 2.66Å; N834-E837 HydrophobicContact CB-CG 4.35Å; N834-E837 WeakPolarHBondContact O-CB 3.38Å; N834-E837 WeakPolarHBondContact O-CG 3.26Å; N834-E837 PolarHBondContact O-N 3.38Å; N834-E837 PolarHBondContact OD1-OE1 3.13Å
838	K	97.3	Very high	97.2	Very high	55 Å²	55	38.1 Å²	38.1	24%	0.239	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.4	179.5	-71.7	-65	-53	-164.7	0	115.2	T640 Y641 Q668 E672 L836	T640-K838 PolarHBondContact OG1-NZ 2.8Å; Y641-K838 WeakPolarHBondContact O-CD 3.36Å; Y641-K838 WeakPolarHBondContact O-CE 3.27Å; Q668-K838 HydrophobicContact CG-CD 4.15Å; E672-K838 WeakPolarHBondContact OE1-CD 3.4Å; E672-K838 VanDerWaalsContact OE1-CE 3.26Å; E672-K838 WeakPolarHBondContact OE1-CE 3.3Å; E672-K838 IonicContact OE1-NZ 2.79Å; E672-K838 PolarHBondContact OE1-NZ 2.69Å; E672-K838 IonicContact OE2-NZ 3.62Å; E672-K838 PolarHBondContact OE2-NZ 2.86Å; L836-K838 PolarHBondContact O-N 3.17Å; L836-K838 VanDerWaalsContact O-N 3.08Å
839	K	97.8	Very high	97.2	Very high	66 Å²	66	40.6 Å²	40.6	29%	0.287	22%	0.218	S	C	.	.	S	Bend	trans	-114.8	151.4	-174.6	-66.3	175.6	179.1	171.6	0	111.5	P565 L836 Y841	P565-K839 HydrophobicContact CG-CD 4.08Å; L836-K839 HydrophobicContact CD2-CD 4.32Å; L836-K839 PolarHBondContact O-N 3.48Å; K839-Y841 WeakPolarHBondContact O-CD1 3.24Å; K839-Y841 PolarHBondContact O-N 3.04Å
840	F	98.3	Very high	97.4	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.026	22%	0.219	C	C	.	.			trans	-83.5	44.2	172.5	-63.9	-80.3	0	0	0	112.6	C592 K593 Y641 Y802 Y816 Y842 L843	C592-F840 HydrophobicContact CB-CB 3.78Å; C592-F840 HydrophobicContact CB-CD2 3.85Å; C592-F840 HydrophobicContact CB-CG 4.1Å; C592-F840 WeakPolarHBondContact O-CB 3.34Å; C592-F840 WeakPolarHBondContact O-CD2 3.48Å; C592-F840 PolarHBondContact O-N 3.14Å; C592-F840 VanDerWaalsContact O-N 3.16Å; K593-F840 WeakPolarHBondContact CG-O 3.43Å; Y641-F840 HydrophobicContact CD2-CE1 4.13Å; Y641-F840 HydrophobicContact CD2-CE2 4.28Å; Y641-F840 AromaticContact CD2-CZ 3.4Å; Y641-F840 HydrophobicContact CD2-CZ 3.4Å; Y641-F840 VanDerWaalsContact CD2-CZ 3.4Å; Y641-F840 AromaticContact CE2-CZ 3.95Å; Y641-F840 HydrophobicContact CE2-CZ 3.95Å; Y641-F840 HydrophobicContact CG-CE1 4.31Å; Y641-F840 AromaticContact CG-CZ 4Å; Y641-F840 HydrophobicContact CG-CZ 4Å; Y802-F840 HydrophobicContact CD2-CD2 4.43Å; Y802-F840 AromaticContact CD2-CE2 3.78Å; Y802-F840 HydrophobicContact CD2-CE2 3.78Å; Y802-F840 AromaticContact CD2-CZ 3.83Å; Y802-F840 HydrophobicContact CD2-CZ 3.83Å; Y802-F840 AromaticContact CE2-CE2 3.67Å; Y802-F840 HydrophobicContact CE2-CE2 3.67Å; Y802-F840 AromaticContact CE2-CZ 3.6Å; Y802-F840 HydrophobicContact CE2-CZ 3.6Å; Y816-F840 AromaticContact CD1-CD1 3.95Å; Y816-F840 HydrophobicContact CD1-CD1 3.95Å; Y816-F840 AromaticContact CD1-CE1 3.92Å; Y816-F840 HydrophobicContact CD1-CE1 3.92Å; Y816-F840 HydrophobicContact CD2-CE1 4.12Å; Y816-F840 AromaticContact CE1-CD1 3.59Å; Y816-F840 HydrophobicContact CE1-CD1 3.59Å; Y816-F840 AromaticContact CE1-CE1 3.44Å; Y816-F840 HydrophobicContact CE1-CE1 3.44Å; Y816-F840 VanDerWaalsContact CE1-CE1 3.44Å; Y816-F840 HydrophobicContact CE1-CZ 4.39Å; Y816-F840 AromaticContact CE2-CE1 3.7Å; Y816-F840 HydrophobicContact CE2-CE1 3.7Å; Y816-F840 HydrophobicContact CE2-CZ 4.29Å; Y816-F840 HydrophobicContact CG-CE1 4.23Å; Y816-F840 AromaticContact CZ-CD1 3.97Å; Y816-F840 AromaticContact CZ-CE1 3.32Å; Y816-F840 AromaticContact CZ-CZ 3.93Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.35Å; F840-Y842 PolarHBondContact O-N 3.45Å; F840-Y842 VanDerWaalsContact O-N 3.1Å; F840-L843 HydrophobicContact CB-CD1 3.69Å; F840-L843 HydrophobicContact CB-CG 3.98Å; F840-L843 HydrophobicContact CD1-CD1 4.35Å; F840-L843 HydrophobicContact CG-CD1 4.19Å; F840-L843 PolarHBondContact O-N 2.88Å
841	Y	98.4	Very high	97.6	Very high	6 Å²	6	41.1 Å²	41.1	2%	0.024	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.9	-175.7	64	-86.1	0	0	0	113.1	Y559 L820 P832 L836 K839 L843	Y559-Y841 HydrophobicContact CD1-CD2 4.38Å; Y559-Y841 AromaticContact CD2-CD2 3.74Å; Y559-Y841 HydrophobicContact CD2-CD2 3.74Å; Y559-Y841 HydrophobicContact CD2-CE2 4.31Å; Y559-Y841 AromaticContact CE2-CD2 3.84Å; Y559-Y841 HydrophobicContact CE2-CD2 3.84Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.22Å; Y559-Y841 HydrophobicContact CG-CD2 4.02Å; Y559-Y841 VanDerWaalsContact CZ-O 3.24Å; Y559-Y841 PolarHBondContact OH-O 3.09Å; L820-Y841 HydrophobicContact CD1-CE2 4.03Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.28Å; P832-Y841 HydrophobicContact CB-CE2 3.87Å; P832-Y841 HydrophobicContact CG-CE2 3.9Å; P832-Y841 WeakPolarHBondContact CG-OH 3.44Å; L836-Y841 HydrophobicContact CB-CD1 3.53Å; L836-Y841 HydrophobicContact CB-CE1 3.71Å; L836-Y841 HydrophobicContact CB-CG 3.98Å; L836-Y841 HydrophobicContact CD1-CD1 4.42Å; L836-Y841 HydrophobicContact CD1-CD2 4.05Å; L836-Y841 HydrophobicContact CD1-CE2 4.48Å; L836-Y841 HydrophobicContact CD1-CG 4.02Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.45Å; L836-Y841 VanDerWaalsContact O-CD1 3.29Å; L836-Y841 WeakPolarHBondContact O-CD1 3.45Å; L836-Y841 WeakPolarHBondContact O-CE1 3.4Å; K839-Y841 WeakPolarHBondContact O-CD1 3.24Å; K839-Y841 PolarHBondContact O-N 3.04Å; Y841-L843 VanDerWaalsContact C-N 3.34Å; Y841-L843 PolarHBondContact O-N 2.69Å
842	Y	98.1	Very high	97.7	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.012	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.7	-174.6	52.7	-90.8	0	0	0	115.2	I630 Y816 K819 L820 F840	I630-Y842 HydrophobicContact CD1-CE1 4.39Å; Y816-Y842 AromaticContact CD1-CE2 3.93Å; Y816-Y842 HydrophobicContact CD1-CE2 3.93Å; Y816-Y842 HydrophobicContact CG-CE2 4.38Å; K819-Y842 HydrophobicContact CB-CD2 4.3Å; K819-Y842 HydrophobicContact CG-CD2 4.18Å; K819-Y842 WeakPolarHBondContact CG-O 3.37Å; K819-Y842 PolarHBondContact NZ-O 3.12Å; L820-Y842 HydrophobicContact CB-CD1 4.24Å; L820-Y842 HydrophobicContact CB-CD2 3.79Å; L820-Y842 HydrophobicContact CB-CE2 4.2Å; L820-Y842 HydrophobicContact CB-CG 3.81Å; L820-Y842 HydrophobicContact CD1-CD1 3.93Å; L820-Y842 HydrophobicContact CD1-CG 3.88Å; L820-Y842 HydrophobicContact CD2-CD1 4.11Å; L820-Y842 HydrophobicContact CD2-CE1 4.22Å; L820-Y842 HydrophobicContact CG-CD1 4.31Å; L820-Y842 HydrophobicContact CG-CG 4.26Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.35Å; F840-Y842 PolarHBondContact O-N 3.45Å; F840-Y842 VanDerWaalsContact O-N 3.1Å
843	L	97	Very high	97.6	Very high	9 Å²	9	40.5 Å²	40.5	5%	0.047	22%	0.217	C	C	.	.			trans	-68.1	0	175.4	-70.7	-176.7	0	0	0	112.9	Q589 C592 K593 Y801 N803 Y816 K819 F840 Y841	Q589-L843 HydrophobicContact CG-CB 4.25Å; Q589-L843 PolarHBondContact NE2-O 3.37Å; Q589-L843 PolarHBondContact NE2-OXT 3.29Å; C592-L843 HydrophobicContact CB-CD1 3.9Å; K593-L843 WeakPolarHBondContact CE-OXT 3.37Å; K593-L843 PolarHBondContact NZ-OXT 3.43Å; Y801-L843 HydrophobicContact CE2-CD2 4.01Å; N803-L843 HydrophobicContact CB-CD2 4.15Å; Y816-L843 HydrophobicContact CD1-CD2 3.97Å; Y816-L843 HydrophobicContact CE1-CD1 4.22Å; Y816-L843 HydrophobicContact CE1-CD2 3.95Å; Y816-L843 HydrophobicContact CE1-CG 4.5Å; K819-L843 VanDerWaalsContact CE-O 3.22Å; K819-L843 WeakPolarHBondContact CE-O 3.21Å; K819-L843 HydrophobicContact CG-CD2 4.3Å; K819-L843 PolarHBondContact NZ-O 2.85Å; F840-L843 HydrophobicContact CB-CD1 3.69Å; F840-L843 HydrophobicContact CB-CG 3.98Å; F840-L843 HydrophobicContact CD1-CD1 4.35Å; F840-L843 HydrophobicContact CG-CD1 4.19Å; F840-L843 PolarHBondContact O-N 2.88Å; Y841-L843 VanDerWaalsContact C-N 3.34Å; Y841-L843 PolarHBondContact O-N 2.69Å

Retrieved 843 of 843 residues in 409.9 ms (Link to these results)

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