A0A075BJ89_DROME Loading...

Piwi

AlphaFold DB , UniProt , Accession A0A075BJ89, Species DROME (Drosophila melanogaster, Fruit fly), Gene piwi, Length 843 aa.

						>A0A075BJ89_DROME|A0A075BJ89|piwi
MADDQGRGRRRPLNEDDSSTSRGSGDGPRVKVFRGSSSGDPRADPRIEASRERGALEEAPRRECGPPERKPWGDQYDYLNTRPAELVSKKGTDGVPVMLQTNFFRLKTKPEWRIVHYHVEFVPTIENPRVRMGVLSNHANLLGSGYLFDGLQLFTTRKFEQEITVLSGKSKLDIEYKISIKFVGFISCAEPRFLQVLNLILRRSMKGLNLELVGRNLFDPRAKIEIREFKMELWPGYETSIRQHEKDILLGTEITHKVMRTETIYDIMRRCSHNPARHQDEVRVNVLDLIVLTDYNNRTYRINDVDFGQTPKSTFSCKGRDISFVEYYLTKYNIRIRDHNQPLLISKNKDKAQKTNASELVVLIPELCRVTGLNAEMRSNFQLMRAMSSYTRMNPKQRTDRLRAFNHRLQNTPESVKVLRDWNMELDKNVTEVQGRIIGQQNIVFHNGKVPAGENADWQRHFRDQRMLTTPSDGLDRWAVIAPQRNSHELRTLLDSLYRAASGMGLRVRSPQEFIIYDDRTGTYVRAMDDCVRSDPKLILCLVPNDNAERYSSIKKRGYVDRAVPTQVVTLKTTKNRSLMSIATKIAIQLNCKLGYTPWMIELPLSGLMTIGFDIAKSTRDRKRAYGALIASMDLQQNSTYFSTVTECSAFDVLANTLWPMIAKALRQYQHEYRKLPSRIVFYRDGVSTGSLKQLFEFEVKDIIEKLKTEYARVQLSPPQLAYIVVTRSMNTRFFLNGQNPPPGTIVDDVITLPERYDFYLVSQQVRQGTVSPTSYNVLYSSMGLSPEKMQKLTYKMCHLYYNWSGTTRVPAVCQYAKKLATLVGTNLHSIPQNALEKKFYYL
					

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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	33.9	Very low	30.8	Very low	241 Å²	241	167.4 Å²	167.4	100%	1.187	83%	0.829	S	S	*	*				0	81	0	-67.8	-179.6	-179.7	0	0	105.4
2	A	29.4	Very low	32.2	Very low	80 Å²	80	162 Å²	162	66%	0.661	82%	0.815	S	S	*	*				72.2	97.4	95.5	0	0	0	0	0	108.8
3	D	30.9	Very low	31.9	Very low	159 Å²	159	161.2 Å²	161.2	85%	0.85	81%	0.813	S	S	*	*				99.3	153.4	95.5	-78.9	-13.3	0	0	0	107.8
4	D	33.8	Very low	31.6	Very low	116 Å²	116	157.9 Å²	157.9	62%	0.62	80%	0.8	S	S	*	*			cis	-178.3	156.4	-19.7	-170.8	15.1	0	0	0	104.6
5	Q	34.2	Very low	31.5	Very low	175 Å²	175	157.4 Å²	157.4	82%	0.818	79%	0.793	S	S	*	*			trans	59.4	151.4	158.7	-71.8	168.9	43.8	0	0	119.9
6	G	27.7	Very low	31.3	Very low	74 Å²	74	155.5 Å²	155.5	76%	0.763	79%	0.786	S	S	*	*			cis	-179.2	-177.3	14.8	0	0	0	0	0	113
7	R	30.6	Very low	31.2	Very low	259 Å²	259	155.1 Å²	155.1	98%	0.977	79%	0.786	S	S	*	*			trans	-74.3	166.4	-163.8	-64.1	160.2	166.4	176.7	-3.4	116.9
8	G	27.4	Very low	31	Very low	70 Å²	70	151.5 Å²	151.5	72%	0.722	78%	0.778	S	S	*	*			trans	131.2	109.4	138.3	0	0	0	0	0	114.8
9	R	29.4	Very low	30.9	Very low	218 Å²	218	148.7 Å²	148.7	82%	0.823	77%	0.773	S	S	*	*				87.1	123	77.6	-101.5	-169.3	177.9	-179.4	1.3	115.5
10	R	27.7	Very low	30.9	Very low	213 Å²	213	147.1 Å²	147.1	80%	0.804	77%	0.77	S	S	*	*			trans	83.7	124	142.2	-71.8	-177.3	172.3	-178.3	-4.1	121.6
11	R	33.6	Very low	30.8	Very low	236 Å²	236	145 Å²	145	89%	0.891	77%	0.768	S	S	*	*			trans	-43.7	170.7	147.3	-76.8	-175.5	177.2	-178.1	-1.7	112.7
12	P	47.8	Very low	30.7	Very low	103 Å²	103	145 Å²	145	67%	0.669	76%	0.755	S	S	*	*			cis	-161.6	-167.6	41.1	44.5	-20.3	0	0	0	119.5
13	L	28.8	Very low	30.6	Very low	151 Å²	151	144.6 Å²	144.6	79%	0.791	76%	0.758	S	S	*	*			trans	72	147.2	156.2	-67.4	162.6	0	0	0	117.4
14	N	27.7	Very low	30.6	Very low	116 Å²	116	143.2 Å²	143.2	62%	0.62	76%	0.761	S	S	*	*			cis	154.4	155.6	-7.8	-124.8	28.3	0	0	0	105.8
15	E	30.1	Very low	30.2	Very low	150 Å²	150	141.4 Å²	141.4	70%	0.701	77%	0.769	S	S	*	*			trans	70.3	145.8	152.1	-65.6	162.8	-154.4	0	0	118.2
16	D	28.2	Very low	30	Very low	127 Å²	127	141.6 Å²	141.6	68%	0.679	78%	0.776	S	S	*	*			cis	-166.1	145.3	-2.6	-107.5	-13.5	0	0	0	106.6
17	D	28.5	Very low	29.9	Very low	148 Å²	148	141.1 Å²	141.1	79%	0.791	77%	0.772	S	S	*	*				57.8	130	103.2	-110.6	5.3	0	0	0	113.8
18	S	28	Very low	30.4	Very low	91 Å²	91	134.2 Å²	134.2	64%	0.636	76%	0.76	S	S	*	*			cis	170.4	153.8	48	50	0	0	0	0	110.8
19	S	29.7	Very low	30.4	Very low	98 Å²	98	142.3 Å²	142.3	69%	0.685	77%	0.769	S	S	*	*			trans	66.8	157.2	138.8	88.2	0	0	0	0	119.9
20	T	29.9	Very low	30.4	Very low	117 Å²	117	137.3 Å²	137.3	72%	0.718	76%	0.762	S	S	*	*			cis	-166.3	149.8	24.5	-0.6	0	0	0	0	112.1
21	S	30	Very low	30.7	Very low	102 Å²	102	136.1 Å²	136.1	71%	0.713	76%	0.763	S	S	*	*			trans	74.3	146.6	138.4	77	0	0	0	0	120.4
22	R	31.5	Very low	30.4	Very low	243 Å²	243	131.6 Å²	131.6	92%	0.917	76%	0.761	S	S	*	*			cis	-166.8	136.5	11	-124.1	164.7	-169.4	-170.4	4.1	109.7
23	G	27.8	Very low	29.4	Very low	71 Å²	71	135.9 Å²	135.9	73%	0.732	77%	0.77	S	S	*	*				107.2	148.3	119.4	0	0	0	0	0	112.3
24	S	29.6	Very low	29.3	Very low	129 Å²	129	140.3 Å²	140.3	90%	0.902	78%	0.776	S	S	*	*			cis	179.6	145.5	-12	21.1	0	0	0	0	106.9
25	G	26.6	Very low	29.2	Very low	78 Å²	78	137.8 Å²	137.8	80%	0.804	78%	0.777	S	S	*	*			trans	144.8	112.1	161.4	0	0	0	0	0	116.8
26	D	28.8	Very low	29.1	Very low	179 Å²	179	136.2 Å²	136.2	96%	0.957	78%	0.783	S	S	*	*			trans	58.8	134.1	167.8	-82.5	-10.5	0	0	0	119.8
27	G	27	Very low	29	Very low	65 Å²	65	135.4 Å²	135.4	67%	0.67	79%	0.787	S	S	*	*			cis	155.7	147.1	13	0	0	0	0	0	107
28	P	39.7	Very low	28.9	Very low	114 Å²	114	134.4 Å²	134.4	74%	0.74	79%	0.792	S	S	*	*				-129.2	163	-125.9	39.3	-25.6	0	0	0	117.6
29	R	28.7	Very low	28.7	Very low	240 Å²	240	133.6 Å²	133.6	91%	0.906	80%	0.798	S	S	*	*			trans	59.4	161.4	138.7	-74.9	179.4	177.3	-173.6	0.4	119.1
30	V	28.8	Very low	28.6	Very low	112 Å²	112	136.4 Å²	136.4	68%	0.679	81%	0.805	S	S	*	*			cis	-173.9	146.9	-18.9	139.6	0	0	0	0	105
31	K	34.2	Very low	29.4	Very low	188 Å²	188	136.1 Å²	136.1	82%	0.817	81%	0.805	S	S	*	*			trans	17.1	145.4	150.7	-56.1	170.9	179.3	179.6	0	120.4
32	V	26.7	Very low	29.2	Very low	141 Å²	141	142.6 Å²	142.6	86%	0.855	81%	0.814	S	S	*	*				-162.1	141	127.5	157.1	0	0	0	0	111.6
33	F	27.5	Very low	28.9	Very low	193 Å²	193	135.4 Å²	135.4	85%	0.846	81%	0.806	S	S	*	*			trans	-64.1	156	165.7	-111.9	-102.5	0	0	0	113.1
34	R	26.9	Very low	28.9	Very low	245 Å²	245	138.9 Å²	138.9	93%	0.925	81%	0.808	S	S	*	*			trans	-171.1	143.6	133.4	-109.3	173.4	-168.8	-158.9	3.3	112.9
35	G	24.7	Very low	29.5	Very low	63 Å²	63	138.1 Å²	138.1	65%	0.649	80%	0.8	S	S	*	*			trans	-106.9	164.6	170.8	0	0	0	0	0	113.5
36	S	27.3	Very low	29.6	Very low	117 Å²	117	145 Å²	145	82%	0.818	80%	0.802	S	S	*	*			trans	65.7	130.4	154.2	62	0	0	0	0	122.6
37	S	26	Very low	29.5	Very low	110 Å²	110	144 Å²	144	77%	0.769	80%	0.795	S	S	*	*			trans	114.4	143.8	133.9	75	0	0	0	0	119.8
38	S	26.7	Very low	29.4	Very low	127 Å²	127	149.6 Å²	149.6	89%	0.888	80%	0.804	S	S	*	*			trans	76.8	136.4	175.2	73.6	0	0	0	0	116.3
39	G	24.1	Very low	28.7	Very low	74 Å²	74	148.9 Å²	148.9	76%	0.763	81%	0.807	S	S	*	*			cis	174.2	144.8	-0.6	0	0	0	0	0	108.2
40	D	28.9	Very low	28.5	Very low	157 Å²	157	142.7 Å²	142.7	84%	0.84	80%	0.801	S	S	*	*			trans	-64.5	166.6	165.8	-128.6	-16.7	0	0	0	110.2
41	P	45.7	Very low	28.4	Very low	110 Å²	110	148 Å²	148	71%	0.714	81%	0.809	S	S	*	*				-154.4	166.4	53	39.1	-16.8	0	0	0	118.3
42	R	25.9	Very low	27.9	Very low	238 Å²	238	145.4 Å²	145.4	90%	0.898	80%	0.8	S	S	*	*			trans	-175.7	89.8	130.7	-97.8	170.5	-170	-162.9	3.1	108
43	A	25.7	Very low	27.9	Very low	92 Å²	92	149.6 Å²	149.6	76%	0.76	80%	0.8	S	S	*	*				66.5	90.7	96.2	0	0	0	0	0	113.4
44	D	27.8	Very low	27.7	Very low	145 Å²	145	144 Å²	144	78%	0.775	80%	0.797	S	S	*	*				77.5	155.3	89.3	-121.3	9.5	0	0	0	113.8
45	P	42.1	Very low	27.7	Very low	113 Å²	113	136.9 Å²	136.9	73%	0.734	79%	0.791	S	S	*	*			cis	-139.6	174.1	4.1	36	-13.6	0	0	0	118.1
46	R	27.9	Very low	27.7	Very low	222 Å²	222	141.1 Å²	141.1	84%	0.838	80%	0.797	S	S	*	*			trans	-50.6	161.2	167.4	-61.9	169.3	171.6	-178.7	-3.3	115.4
47	I	26.9	Very low	27.6	Very low	159 Å²	159	144.2 Å²	144.2	82%	0.815	80%	0.799	S	S	*	*				-177.1	106	127.1	-85.9	149.9	0	0	0	106.2
48	E	25.5	Very low	27.6	Very low	182 Å²	182	148.3 Å²	148.3	85%	0.85	81%	0.806	S	S	*	*				54.4	114.9	95.1	-93.2	-175.7	-172.6	0	0	115.7
49	A	23.8	Very low	27.5	Very low	98 Å²	98	146.7 Å²	146.7	81%	0.81	80%	0.8	S	S	*	*				159.5	132.9	110.7	0	0	0	0	0	113
50	S	26.3	Very low	27.5	Very low	111 Å²	111	149.1 Å²	149.1	78%	0.776	80%	0.802	S	S	*	*			trans	-54.8	145.2	166	44.5	0	0	0	0	115.9
51	R	25.2	Very low	27.4	Very low	224 Å²	224	152.9 Å²	152.9	85%	0.845	81%	0.805	S	S	*	*				177.4	133.2	117.1	-101.4	179.5	177.5	178.2	-1.2	114.6
52	E	24.5	Very low	26.4	Very low	133 Å²	133	159.2 Å²	159.2	62%	0.621	82%	0.815	S	S	*	*			trans	53	128	137	-72.5	-167.8	119.2	0	0	125.1
53	R	26.6	Very low	26.3	Very low	228 Å²	228	157 Å²	157	86%	0.86	81%	0.814	S	S	*	*			trans	63.4	120.7	136.2	-65.3	-176.3	-157.9	-142.9	3.9	120.5
54	G	22.5	Very low	26.3	Very low	77 Å²	77	158.9 Å²	158.9	79%	0.794	82%	0.821	S	S	*	*			trans	-178.5	114.3	153.2	0	0	0	0	0	110.6
55	A	27.3	Very low	26.2	Very low	95 Å²	95	154.7 Å²	154.7	79%	0.785	81%	0.811	S	S	*	*			trans	-65	161.2	-176.7	0	0	0	0	0	113.9
56	L	24.9	Very low	25.3	Very low	151 Å²	151	155.1 Å²	155.1	79%	0.791	81%	0.814	S	S	*	*			trans	-174.4	117.5	132.4	-94.6	151.3	0	0	0	112.3
57	E	24.9	Very low	25.3	Very low	183 Å²	183	150.4 Å²	150.4	86%	0.855	81%	0.813	S	S	*	*			trans	68.4	107.7	143.1	-73.5	174.2	174.6	0	0	123.1
58	E	25.8	Very low	25.2	Very low	196 Å²	196	151.8 Å²	151.8	92%	0.916	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75.6	136	159.8	-72.8	-177.4	133.9	0	0	112
59	A	24.6	Very low	25.2	Very low	92 Å²	92	153.7 Å²	153.7	76%	0.76	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-103.6	143	159.5	0	0	0	0	0	110
60	P	24.8	Very low	25.3	Very low	125 Å²	125	158.3 Å²	158.3	81%	0.812	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-80.5	142.3	-156.6	30.3	-34.2	0	0	0	114.1	R62	P60-R62 PolarHBondContact O-N 3.31Å
61	R	27	Very low	25.4	Very low	237 Å²	237	157.4 Å²	157.4	89%	0.894	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-58.6	120.8	169.7	-67.1	175.5	176.5	-179.9	-0.4	110.1	E63	R61-E63 PolarHBondContact O-N 2.9Å
62	R	25.1	Very low	25.6	Very low	243 Å²	243	158 Å²	158	92%	0.917	81%	0.811	S	S	*	*			trans	-77.1	111.9	161.9	-83	-175.9	174.3	178.7	-1.1	108.8	P60 C64	P60-R62 PolarHBondContact O-N 3.31Å; R62-C64 PolarHBondContact O-N 2.85Å
63	E	23.4	Very low	25.9	Very low	190 Å²	190	153.8 Å²	153.8	89%	0.888	80%	0.803	S	S	*	*			trans	-58.5	115.7	168.2	-68.1	180	152.9	0	0	109.8	R61 G65	R61-E63 PolarHBondContact O-N 2.9Å; E63-G65 PolarHBondContact O-N 2.81Å
64	C	24.8	Very low	26.3	Very low	133 Å²	133	147.8 Å²	147.8	90%	0.899	79%	0.788	S	S	*	*			trans	-70.5	106.5	167.8	-83.2	0	0	0	0	108.6	R62	R62-C64 PolarHBondContact O-N 2.85Å
65	G	25.4	Very low	27.1	Very low	56 Å²	56	152 Å²	152	58%	0.577	79%	0.787	S	S	*	*			trans	-58	161.1	166.4	0	0	0	0	0	112.2	E63	E63-G65 PolarHBondContact O-N 2.81Å
66	P	24.7	Very low	28	Very low	122 Å²	122	150.5 Å²	150.5	79%	0.792	76%	0.761	S	S	*	*			trans	-60.2	144.1	-178.5	24.9	-32	0	0	0	110.7	E68	P66-E68 PolarHBondContact O-N 3.41Å; P66-E68 VanDerWaalsContact O-N 3.1Å
67	P	26.4	Very low	29.1	Very low	124 Å²	124	146.9 Å²	146.9	81%	0.805	74%	0.743	S	S	*	*			trans	-64.8	115.9	-172.9	24.9	-32.3	0	0	0	110.5	R69	P67-R69 PolarHBondContact O-N 2.89Å; P67-R69 VanDerWaalsContact O-N 3.1Å
68	E	24.7	Very low	30.8	Very low	187 Å²	187	140.9 Å²	140.9	87%	0.874	71%	0.713	S	S	*	*			trans	-56	116.4	168	-78.1	-172.2	151.2	0	0	109.5	P66 K70	P66-E68 PolarHBondContact O-N 3.41Å; P66-E68 VanDerWaalsContact O-N 3.1Å; E68-K70 PolarHBondContact O-N 2.86Å
69	R	26.8	Very low	32.9	Very low	223 Å²	223	133 Å²	133	84%	0.842	68%	0.677	S	S	*	*			trans	-64.5	106.2	170.5	-79.5	-178.6	171.9	171.6	1.1	108.7	P67	P67-R69 PolarHBondContact O-N 2.89Å; P67-R69 VanDerWaalsContact O-N 3.1Å
70	K	25.3	Very low	35.5	Very low	194 Å²	194	134 Å²	134	84%	0.843	67%	0.669	S	S	*	*			trans	-55	130.7	168.1	-75.5	-175.5	177.2	179.4	0	109.9	E68	E68-K70 PolarHBondContact O-N 2.86Å
71	P	29	Very low	38.1	Very low	92 Å²	92	128.6 Å²	128.6	60%	0.597	63%	0.634	S	S	*	*			trans	-61.1	157.3	174.9	-16	28.4	0	0	0	110.6	G73	P71-G73 PolarHBondContact O-N 2.86Å
72	W	30.1	Very low	40.6	Very low	237 Å²	237	120.6 Å²	120.6	90%	0.898	60%	0.604	S	S	*	*			trans	-51.1	94.6	-176.4	-76	41.9	0	0	0	112.8
73	G	30.7	Very low	43.1	Very low	45 Å²	45	111.7 Å²	111.7	46%	0.464	58%	0.577	S	S	.	*			trans	-97.4	99.1	174.7	0	0	0	0	0	111.4	P71	P71-G73 PolarHBondContact O-N 2.86Å
74	D	35.1	Very low	45.5	Very low	101 Å²	101	108 Å²	108	54%	0.54	58%	0.579	S	S	.	*				-76	108.9	127.2	-84.7	-21.7	0	0	0	103.8	Y76 Q195	D74-Y76 VanDerWaalsContact C-N 3.31Å; D74-Y76 HydrophobicContact CB-CD2 4.02Å; D74-Y76 HydrophobicContact CB-CE2 3.54Å; D74-Y76 WeakPolarHBondContact O-CD2 3.26Å; D74-Y76 PolarHBondContact O-N 3.23Å; D74-Q195 PolarHBondContact O-NE2 2.91Å
75	Q	39	Very low	47.8	Very low	166 Å²	166	110.4 Å²	110.4	78%	0.776	58%	0.577	S	S	*	*			trans	-74.4	88.5	-177.6	-154.5	171.9	13.4	0	0	107.8	D77	Q75-D77 PolarHBondContact O-N 2.9Å
76	Y	46.1	Very low	50.2	Low	64 Å²	64	109.4 Å²	109.4	25%	0.251	56%	0.559	S	S	.	*			trans	-74.8	65.9	173.2	-70.6	-90.2	0	0	0	109	D74 Y78 P191 Q195	D74-Y76 VanDerWaalsContact C-N 3.31Å; D74-Y76 HydrophobicContact CB-CD2 4.02Å; D74-Y76 HydrophobicContact CB-CE2 3.54Å; D74-Y76 WeakPolarHBondContact O-CD2 3.26Å; D74-Y76 PolarHBondContact O-N 3.23Å; Y76-Y78 WeakPolarHBondContact CD1-OH 3.38Å; Y76-Y78 VanDerWaalsContact O-CD2 3.31Å; Y76-Y78 WeakPolarHBondContact O-CD2 3.5Å; Y76-Y78 WeakPolarHBondContact O-CE2 3.43Å; Y76-Y78 PolarHBondContact O-N 2.86Å; Y76-P191 WeakPolarHBondContact O-CB 3.3Å; Y76-P191 WeakPolarHBondContact O-CG 3.46Å; Y76-Q195 HydrophobicContact CD2-CG 3.66Å; Y76-Q195 HydrophobicContact CE2-CG 3.66Å
77	D	48.4	Very low	52.6	Low	75 Å²	75	110.2 Å²	110.2	40%	0.401	56%	0.561	S	S	.	*			trans	-75.5	105.8	171.6	-85.3	-4.1	0	0	0	108.7	Q75 K693	Q75-D77 PolarHBondContact O-N 2.9Å; D77-K693 HydrophobicContact CB-CD 3.7Å; D77-K693 IonicContact OD2-NZ 2.87Å; D77-K693 PolarHBondContact OD2-NZ 3.48Å
78	Y	60.1	Low	55.3	Low	57 Å²	57	106.9 Å²	106.9	22%	0.224	54%	0.541	C	S	.	.			trans	-77.4	126.1	173.7	-67.5	-87.7	0	0	0	109.6	Y76 P191 L194 E755	Y76-Y78 WeakPolarHBondContact CD1-OH 3.38Å; Y76-Y78 VanDerWaalsContact O-CD2 3.31Å; Y76-Y78 WeakPolarHBondContact O-CD2 3.5Å; Y76-Y78 WeakPolarHBondContact O-CE2 3.43Å; Y76-Y78 PolarHBondContact O-N 2.86Å; Y78-P191 HydrophobicContact CD2-CB 4.05Å; Y78-P191 HydrophobicContact CD2-CG 3.94Å; Y78-P191 HydrophobicContact CE2-CB 3.77Å; Y78-P191 HydrophobicContact CE2-CG 4.19Å; Y78-L194 HydrophobicContact CE1-CD1 3.92Å; Y78-L194 HydrophobicContact CE2-CD1 3.9Å; Y78-L194 WeakPolarHBondContact OH-CD1 3.33Å; Y78-E755 HydrophobicContact CD1-CG 4.38Å; Y78-E755 VanDerWaalsContact CD1-OE1 3.3Å; Y78-E755 WeakPolarHBondContact CD1-OE1 3.47Å
79	L	69	Low	58.3	Low	31 Å²	31	98.1 Å²	98.1	16%	0.162	50%	0.5	C	S	.	.			trans	-86	114.3	164	-179.5	72.1	0	0	0	107.3	T81 F696	L79-T81 HydrophobicContact CB-CG2 4.48Å; L79-T81 HydrophobicContact CD2-CG2 3.67Å; L79-T81 HydrophobicContact CG-CG2 3.82Å; L79-T81 PolarHBondContact O-N 2.95Å; L79-F696 HydrophobicContact CD1-CB 4.38Å; L79-F696 HydrophobicContact CD1-CD1 3.89Å; L79-F696 HydrophobicContact CD1-CE1 4.33Å; L79-F696 HydrophobicContact CD1-CG 4.08Å; L79-F696 HydrophobicContact CD2-CB 3.38Å; L79-F696 HydrophobicContact CD2-CD1 4.23Å; L79-F696 HydrophobicContact CD2-CD2 3.82Å; L79-F696 HydrophobicContact CD2-CG 3.56Å; L79-F696 HydrophobicContact CG-CG 4.45Å
80	N	79.3	Confident	61.4	Low	111 Å²	111	91.8 Å²	91.8	59%	0.594	48%	0.478	S	S	*	.			trans	-73.6	111.7	168.8	-175	0.8	0	0	0	108.2	R82 E755	N80-R82 PolarHBondContact OD1-N 2.92Å; N80-R82 PolarHBondContact OD1-O 2.82Å; N80-E755 CarbonylContact C-O 3.54Å; N80-E755 WeakPolarHBondContact CA-O 3.47Å; N80-E755 PolarHBondContact OD1-O 2.87Å
81	T	79	Confident	64.4	Low	13 Å²	13	82.9 Å²	82.9	8%	0.08	44%	0.442	C	S	.	.			trans	-105	-7.9	-180	66.4	0	0	0	0	112.2	L79 P83 E755 R756 Y757 N777 V778 L779	L79-T81 HydrophobicContact CB-CG2 4.48Å; L79-T81 HydrophobicContact CD2-CG2 3.67Å; L79-T81 HydrophobicContact CG-CG2 3.82Å; L79-T81 PolarHBondContact O-N 2.95Å; T81-P83 VanDerWaalsContact O-CD 3.26Å; T81-P83 WeakPolarHBondContact O-CD 3.4Å; T81-E755 PolarHBondContact N-O 2.79Å; T81-R756 WeakPolarHBondContact OG1-CA 3.26Å; T81-Y757 PolarHBondContact OG1-N 2.83Å; T81-N777 PolarHBondContact OG1-OD1 3.16Å; T81-V778 PolarHBondContact OG1-O 3.43Å; T81-L779 HydrophobicContact CG2-CB 4.48Å; T81-L779 HydrophobicContact CG2-CD2 3.56Å
82	R	81.3	Confident	67.3	Low	68 Å²	68	84.1 Å²	84.1	26%	0.257	45%	0.448	S	S	.	.	S	Bend	trans	-73.5	117.3	176.1	-173.7	173.6	-179.9	165.7	-1.5	109	N80 L86 V87 E245 P754 E755	N80-R82 PolarHBondContact OD1-N 2.92Å; N80-R82 PolarHBondContact OD1-O 2.82Å; R82-L86 PolarHBondContact NE-O 3.45Å; R82-V87 PolarHBondContact NH2-O 3Å; R82-E245 IonicContact NH1-OE2 3.57Å; R82-P754 WeakPolarHBondContact CD-O 3.45Å; R82-E755 PolarHBondContact N-O 3.25Å
83	P	77.7	Confident	70.1	Confident	56 Å²	56	75.8 Å²	75.8	36%	0.364	42%	0.421	S	S	.	.			trans	-60.8	140.4	175.6	-20.1	32.5	0	0	0	110.3	T81 E85 L86	T81-P83 VanDerWaalsContact O-CD 3.26Å; T81-P83 WeakPolarHBondContact O-CD 3.4Å; P83-E85 PolarHBondContact O-N 3.41Å; P83-L86 HydrophobicContact CB-CB 4.13Å; P83-L86 HydrophobicContact CG-CB 4.27Å; P83-L86 WeakPolarHBondContact O-CB 3.32Å; P83-L86 PolarHBondContact O-N 3.29Å
84	A	72.6	Confident	73	Confident	112 Å²	112	75.6 Å²	75.6	93%	0.926	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-32	178.7	0	0	0	0	0	112.4	L86	A84-L86 VanDerWaalsContact C-N 3.3Å; A84-L86 PolarHBondContact O-N 3.19Å
85	E	73.6	Confident	75.9	Confident	184 Å²	184	75.3 Å²	75.3	86%	0.86	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.8	177.9	-61.1	170.6	-165.6	0	0	113.2	P83 V87	P83-E85 PolarHBondContact O-N 3.41Å; E85-V87 PolarHBondContact O-N 3.27Å
86	L	76.1	Confident	78.6	Confident	36 Å²	36	71.4 Å²	71.4	19%	0.188	41%	0.409	C	S	.	.			trans	-81.4	90.3	-177.7	-170.6	72.5	0	0	0	110.8	R82 P83 A84 S88 K89 Y757 P787	R82-L86 PolarHBondContact NE-O 3.45Å; P83-L86 HydrophobicContact CB-CB 4.13Å; P83-L86 HydrophobicContact CG-CB 4.27Å; P83-L86 WeakPolarHBondContact O-CB 3.32Å; P83-L86 PolarHBondContact O-N 3.29Å; A84-L86 VanDerWaalsContact C-N 3.3Å; A84-L86 PolarHBondContact O-N 3.19Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 WeakPolarHBondContact CD1-O 3.25Å; L86-S88 PolarHBondContact O-N 3.08Å; L86-K89 HydrophobicContact CD2-CB 4.08Å; L86-Y757 HydrophobicContact CD2-CD1 3.98Å; L86-Y757 HydrophobicContact CD2-CD2 3.79Å; L86-Y757 HydrophobicContact CD2-CE1 4.3Å; L86-Y757 HydrophobicContact CD2-CE2 4.13Å; L86-Y757 HydrophobicContact CD2-CG 3.73Å; L86-P787 HydrophobicContact CD1-CG 4.22Å
87	V	73.6	Confident	81	Confident	138 Å²	138	69.4 Å²	69.4	84%	0.836	40%	0.404	S	S	*	.	S	Bend	trans	-55.5	-46.4	178.2	-176.8	0	0	0	0	111.4	R82 E85	R82-V87 PolarHBondContact NH2-O 3Å; E85-V87 PolarHBondContact O-N 3.27Å
88	S	83.7	Confident	83.3	Confident	54 Å²	54	70.4 Å²	70.4	38%	0.378	41%	0.407	S	S	.	.			trans	-141.7	140.3	179.6	-179.5	0	0	0	0	111.2	L86 K90	L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 WeakPolarHBondContact CD1-O 3.25Å; L86-S88 PolarHBondContact O-N 3.08Å; S88-K90 WeakPolarHBondContact OG-CB 3.29Å; S88-K90 WeakPolarHBondContact OG-CG 3.34Å; S88-K90 PolarHBondContact OG-N 3.46Å; S88-K90 VanDerWaalsContact OG-N 3.16Å
89	K	88.5	Confident	85	Confident	4 Å²	4	67.7 Å²	67.7	2%	0.017	40%	0.397	C	S	.	.			trans	-95.6	1.5	171.1	64.7	-179.5	176.5	-171.2	0	113.8	L86 E245 T752 L753 R756 Y757 D758 P787	L86-K89 HydrophobicContact CD2-CB 4.08Å; K89-E245 WeakPolarHBondContact CE-OE1 3.39Å; K89-E245 IonicContact NZ-OE1 3.37Å; K89-E245 PolarHBondContact NZ-OE1 3Å; K89-T752 VanDerWaalsContact CE-OG1 3.31Å; K89-T752 WeakPolarHBondContact CE-OG1 3Å; K89-T752 PolarHBondContact NZ-OG1 3.15Å; K89-L753 PolarHBondContact NZ-O 2.75Å; K89-R756 PolarHBondContact NZ-O 3.34Å; K89-Y757 HydrophobicContact CB-CD2 3.76Å; K89-Y757 HydrophobicContact CB-CE2 4Å; K89-D758 IonicContact NZ-OD1 3.13Å; K89-D758 PolarHBondContact NZ-OD1 2.88Å; K89-P787 VanDerWaalsContact O-CB 3.3Å; K89-P787 WeakPolarHBondContact O-CB 3.43Å
90	K	91.6	Very high	86.1	Confident	89 Å²	89	68.5 Å²	68.5	39%	0.387	40%	0.399	S	S	.	.			trans	-74.7	129.2	179.2	-56.4	-178.1	-175.2	-161.7	0	110.4	S88 D749	S88-K90 WeakPolarHBondContact OG-CB 3.29Å; S88-K90 WeakPolarHBondContact OG-CG 3.34Å; S88-K90 PolarHBondContact OG-N 3.46Å; S88-K90 VanDerWaalsContact OG-N 3.16Å; K90-D749 HydrophobicContact CD-CB 4.43Å; K90-D749 WeakPolarHBondContact CE-OD2 3.39Å; K90-D749 HydrophobicContact CG-CB 4.38Å; K90-D749 IonicContact NZ-OD1 3.93Å; K90-D749 IonicContact NZ-OD2 2.6Å; K90-D749 PolarHBondContact NZ-OD2 3.3Å
91	G	89	Confident	86.8	Confident	8 Å²	8	63.3 Å²	63.3	8%	0.082	37%	0.372	C	S	.	.			trans	-79.2	157.6	167.4	0	0	0	0	0	112	R436 D748	G91-R436 VanDerWaalsContact O-CD 3.31Å; G91-R436 WeakPolarHBondContact O-CD 2.92Å; G91-R436 PolarHBondContact O-NE 2.84Å; G91-D748 PolarHBondContact N-OD2 2.95Å
92	T	89.4	Confident	87.6	Confident	117 Å²	117	62.7 Å²	62.7	72%	0.718	37%	0.368	S	S	*	.			trans	-110.2	-21.9	-179.3	66.4	0	0	0	0	114.1	E788	T92-E788 PolarHBondContact N-OE2 3.2Å; T92-E788 PolarHBondContact OG1-OE2 3.42Å
93	D	87.4	Confident	88.2	Confident	63 Å²	63	59.7 Å²	59.7	34%	0.337	36%	0.357	S	S	.	.			trans	-61.9	165.5	178.3	-87.5	-11.4	0	0	0	113.9	R436 E788 K792	D93-R436 WeakPolarHBondContact O-CD 3.4Å; D93-R436 PolarHBondContact O-NH1 3.09Å; D93-E788 HydrophobicContact CB-CB 4.44Å; D93-K792 IonicContact OD2-NZ 2.69Å; D93-K792 PolarHBondContact OD2-NZ 3.45Å
94	G	92.4	Very high	88.9	Confident	40 Å²	40	57.1 Å²	57.1	41%	0.412	34%	0.34	S	S	.	.	S	Bend	trans	81.9	174.2	167.7	0	0	0	0	0	115.7	I437	G94-I437 CarbonylContact C-O 3.24Å; G94-I437 VanDerWaalsContact CA-O 3.28Å; G94-I437 WeakPolarHBondContact CA-O 3.43Å
95	V	96.3	Very high	89.9	Confident	96 Å²	96	56.3 Å²	56.3	58%	0.582	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.3	-175.7	-178.6	0	0	0	0	109.7	R436 I437	V95-R436 CarbonylContact O-C 3.37Å; V95-R436 VanDerWaalsContact O-CA 3.32Å; V95-R436 WeakPolarHBondContact O-CA 3.48Å; V95-I437 PolarHBondContact N-O 2.59Å; V95-I437 PolarHBondContact O-N 2.86Å
96	P	96.3	Very high	90.8	Very high	83 Å²	83	47.9 Å²	47.9	54%	0.539	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	140.5	179.1	28.8	-34.4	0	0	0	110.9	G435	P96-G435 WeakPolarHBondContact CA-O 3.41Å
97	V	96.3	Very high	91.5	Very high	23 Å²	23	50.6 Å²	50.6	14%	0.139	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.6	177.8	-68.8	0	0	0	0	111	L99 G435 I437 L736	V97-L99 HydrophobicContact CG2-CD1 4.35Å; V97-L99 HydrophobicContact CG2-CD2 4.12Å; V97-L99 HydrophobicContact CG2-CG 4.1Å; V97-G435 PolarHBondContact N-O 3.49Å; V97-G435 PolarHBondContact O-N 2.99Å; V97-I437 HydrophobicContact CG1-CD1 3.58Å; V97-I437 HydrophobicContact CG1-CG1 4.03Å; V97-I437 HydrophobicContact CG2-CD1 4.27Å; V97-I437 HydrophobicContact CG2-CG1 3.98Å; V97-L736 HydrophobicContact CB-CD1 4.01Å; V97-L736 HydrophobicContact CG1-CD1 4.41Å
98	M	96.3	Very high	92.1	Very high	96 Å²	96	46.6 Å²	46.6	47%	0.473	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.5	171.4	-74.1	-55.9	-56.9	0	0	110.5	E432 Q434 L736	M98-E432 HydrophobicContact CE-CB 3.6Å; M98-Q434 HydrophobicContact SD-CB 3.99Å; M98-Q434 HydrophobicContact SD-CG 4.36Å; M98-L736 WeakPolarHBondContact O-CD1 3.43Å
99	L	95.4	Very high	92	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.5	-175	-61	166.4	0	0	0	110.1	V97 E432 V433 F734 F735 L736 P741 T745 V747	V97-L99 HydrophobicContact CG2-CD1 4.35Å; V97-L99 HydrophobicContact CG2-CD2 4.12Å; V97-L99 HydrophobicContact CG2-CG 4.1Å; L99-E432 CarbonylContact O-C 3.46Å; L99-E432 VanDerWaalsContact O-CA 3.29Å; L99-E432 WeakPolarHBondContact O-CA 3.15Å; L99-V433 PolarHBondContact N-O 2.8Å; L99-V433 PolarHBondContact O-N 3.47Å; L99-F734 HydrophobicContact CB-CB 4.38Å; L99-F734 HydrophobicContact CD1-CD2 3.95Å; L99-F734 HydrophobicContact CD1-CE2 4.39Å; L99-F735 CarbonylContact C-O 3.48Å; L99-F735 WeakPolarHBondContact CA-O 2.95Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4Å; L99-L736 HydrophobicContact CD2-CG 4.47Å; L99-P741 HydrophobicContact CD2-CG 4.44Å; L99-T745 HydrophobicContact CD1-CG2 3.67Å; L99-T745 HydrophobicContact CD2-CG2 4.15Å; L99-V747 HydrophobicContact CD1-CG2 3.49Å; L99-V747 VanDerWaalsContact CD1-CG2 3.49Å
100	Q	93.2	Very high	91.5	Very high	47 Å²	47	56.2 Å²	56.2	22%	0.22	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134	170.1	-69.9	174.7	-24.7	0	0	109.1	E432 F734 F735	Q100-E432 HydrophobicContact CG-CG 4.26Å; Q100-F734 CarbonylContact O-C 3.49Å; Q100-F734 WeakPolarHBondContact O-CA 3.15Å; Q100-F735 PolarHBondContact N-O 3.16Å; Q100-F735 WeakPolarHBondContact O-CD2 3.02Å; Q100-F735 PolarHBondContact O-N 3.11Å
101	T	93.7	Very high	90.8	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.012	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-165.9	-176.6	69.1	0	0	0	0	112.3	F103 V430 T431 V433 R733 F734 I751	T101-F103 PolarHBondContact OG1-N 2.82Å; T101-F103 VanDerWaalsContact OG1-N 3.12Å; T101-V430 VanDerWaalsContact C-CG1 3.49Å; T101-V430 WeakPolarHBondContact O-CG1 3.3Å; T101-T431 WeakPolarHBondContact CB-O 3.09Å; T101-T431 WeakPolarHBondContact CG2-O 3.43Å; T101-T431 PolarHBondContact N-O 3.06Å; T101-T431 VanDerWaalsContact N-O 3.09Å; T101-T431 PolarHBondContact OG1-O 3.21Å; T101-V433 HydrophobicContact CG2-CB 4.15Å; T101-V433 HydrophobicContact CG2-CG2 3.45Å; T101-V433 VanDerWaalsContact CG2-CG2 3.45Å; T101-R733 CarbonylContact C-O 3.54Å; T101-R733 WeakPolarHBondContact CA-O 3.21Å; T101-F734 HydrophobicContact CG2-CB 4.34Å; T101-I751 HydrophobicContact CG2-CD1 4.16Å; T101-I751 HydrophobicContact CG2-CG2 4.04Å
102	N	94.5	Very high	90.7	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	33%	0.334	C	S	.	.	S	Bend	trans	-112.6	27.1	163.3	68.5	-43.7	0	0	0	112.7	T252 L402 N731 R733	N102-T252 WeakPolarHBondContact CB-O 3.25Å; N102-T252 PolarHBondContact ND2-O 3.38Å; N102-T252 PolarHBondContact O-N 3.12Å; N102-L402 HydrophobicContact CB-CD2 3.37Å; N102-N731 PolarHBondContact ND2-O 2.79Å; N102-R733 HydrophobicContact CB-CB 4.18Å; N102-R733 PolarHBondContact N-O 2.89Å; N102-R733 VanDerWaalsContact N-O 3.17Å; N102-R733 PolarHBondContact OD1-N 3.18Å; N102-R733 PolarHBondContact OD1-O 3.02Å; N102-R733 VanDerWaalsContact OD1-O 3.04Å
103	F	94.1	Very high	90.5	Very high	5 Å²	5	63.1 Å²	63.1	2%	0.022	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	146.5	178.8	-69.5	-99.7	0	0	0	110.4	T101 H244 L249 L250 G251 T431 T732 I751	T101-F103 PolarHBondContact OG1-N 2.82Å; T101-F103 VanDerWaalsContact OG1-N 3.12Å; F103-H244 AromaticContact CD1-NE2 3.94Å; F103-H244 AromaticContact CE1-CE1 3.73Å; F103-H244 AromaticContact CE1-NE2 3.45Å; F103-H244 WeakPolarHBondContact CE1-NE2 3.47Å; F103-L249 HydrophobicContact CB-CB 4.16Å; F103-L249 HydrophobicContact CB-CD1 4.18Å; F103-L249 HydrophobicContact CD1-CB 3.65Å; F103-L249 HydrophobicContact CD1-CD1 4.17Å; F103-L249 HydrophobicContact CG-CB 4.31Å; F103-L249 HydrophobicContact CG-CD1 4.31Å; F103-L250 WeakPolarHBondContact CA-O 3.49Å; F103-G251 VanDerWaalsContact CD1-CA 3.44Å; F103-T431 PolarHBondContact O-N 3.34Å; F103-T431 PolarHBondContact O-OG1 3Å; F103-T732 HydrophobicContact CE2-CG2 3.87Å; F103-T732 HydrophobicContact CZ-CG2 4.31Å; F103-I751 HydrophobicContact CB-CG2 4.48Å; F103-I751 HydrophobicContact CD2-CB 4.41Å; F103-I751 HydrophobicContact CD2-CG2 3.72Å; F103-I751 HydrophobicContact CE2-CB 4.26Å; F103-I751 HydrophobicContact CE2-CG2 4.07Å; F103-I751 HydrophobicContact CG-CG2 4.02Å
104	F	93.8	Very high	90.6	Very high	1 Å²	1	60.1 Å²	60.1	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.1	170.1	-58.5	-79.4	0	0	0	108	L249 L250 L402 N406 L426 V430	F104-L249 WeakPolarHBondContact O-CA 3.39Å; F104-L250 PolarHBondContact N-O 2.9Å; F104-L250 PolarHBondContact O-N 2.74Å; F104-L402 HydrophobicContact CZ-CB 4.31Å; F104-N406 HydrophobicContact CD1-CB 4.39Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.22Å; F104-N406 HydrophobicContact CE1-CB 3.76Å; F104-N406 VanDerWaalsContact CE1-ND2 3.34Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.44Å; F104-N406 HydrophobicContact CE2-CB 4.31Å; F104-N406 HydrophobicContact CZ-CB 3.71Å; F104-L426 HydrophobicContact CB-CD1 3.55Å; F104-L426 HydrophobicContact CB-CG 4.36Å; F104-L426 HydrophobicContact CG-CD1 4.45Å; F104-V430 HydrophobicContact CD1-CG2 4.44Å; F104-V430 HydrophobicContact CE1-CG2 3.7Å; F104-V430 HydrophobicContact CZ-CG2 4.18Å
105	R	93.5	Very high	90.5	Very high	96 Å²	96	58.3 Å²	58.3	36%	0.362	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.6	176.1	-177.4	-179.1	-173.1	-174.8	4.6	109.9	D247 L249 D427 T431	R105-D247 HydrophobicContact CG-CB 4.17Å; R105-D247 IonicContact CZ-OD1 3.82Å; R105-D247 IonicContact CZ-OD2 3.2Å; R105-D247 IonicContact NE-OD1 2.9Å; R105-D247 PolarHBondContact NE-OD1 3.46Å; R105-D247 IonicContact NE-OD2 3.73Å; R105-D247 PolarHBondContact NE-OD2 2.8Å; R105-D247 IonicContact NH2-OD1 3.74Å; R105-D247 PolarHBondContact NH2-OD1 2.97Å; R105-D247 IonicContact NH2-OD2 3.2Å; R105-L249 HydrophobicContact CB-CD2 3.94Å; R105-L249 HydrophobicContact CG-CD2 4.24Å; R105-D427 HydrophobicContact CB-CB 4.22Å; R105-D427 WeakPolarHBondContact CB-OD2 3.4Å; R105-D427 WeakPolarHBondContact O-CB 3.35Å; R105-D427 PolarHBondContact O-N 2.81Å; R105-T431 PolarHBondContact N-OG1 3.35Å
106	L	91.8	Very high	90.3	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	109.5	163.7	-94.2	74	0	0	0	108	I241 I248 L250 L419 M424 E425 L426	L106-I241 HydrophobicContact CD2-CD1 3.87Å; L106-I248 HydrophobicContact CB-CB 4.37Å; L106-I248 HydrophobicContact CB-CG2 4.26Å; L106-I248 PolarHBondContact N-O 3.04Å; L106-L250 HydrophobicContact CD1-CB 3.65Å; L106-L419 HydrophobicContact CD2-CD2 4.47Å; L106-M424 HydrophobicContact CB-CE 4.18Å; L106-M424 HydrophobicContact CD2-CB 4.29Å; L106-M424 HydrophobicContact CD2-CE 3.34Å; L106-M424 HydrophobicContact CD2-SD 4Å; L106-M424 HydrophobicContact CG-CE 4.35Å; L106-E425 CarbonylContact C-O 3.55Å; L106-E425 WeakPolarHBondContact CA-O 3.33Å; L106-L426 HydrophobicContact CD1-CD1 3.48Å; L106-L426 VanDerWaalsContact CD1-CD1 3.48Å; L106-L426 HydrophobicContact CG-CD1 4.36Å
107	K	90.6	Very high	90	Very high	93 Å²	93	50.4 Å²	50.4	40%	0.404	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.9	171.2	-70.3	175	172.6	152	0	108.9	M424 E425 D427	K107-M424 CarbonylContact O-C 3.57Å; K107-M424 WeakPolarHBondContact O-CA 3.33Å; K107-E425 HydrophobicContact CB-CB 4.44Å; K107-E425 PolarHBondContact N-O 2.87Å; K107-E425 PolarHBondContact O-N 2.79Å; K107-D427 WeakPolarHBondContact CD-OD1 3.31Å; K107-D427 VanDerWaalsContact CE-CG 3.49Å; K107-D427 WeakPolarHBondContact CE-OD1 3.44Å; K107-D427 WeakPolarHBondContact CE-OD2 3.49Å; K107-D427 IonicContact NZ-OD1 2.65Å; K107-D427 PolarHBondContact NZ-OD1 2.9Å; K107-D427 IonicContact NZ-OD2 3.68Å
108	T	86.9	Confident	89.8	Confident	55 Å²	55	51.5 Å²	51.5	34%	0.337	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	169	172.1	61.4	0	0	0	0	109.4	W112 I248 M424	T108-W112 HydrophobicContact CG2-CB 4.46Å; T108-W112 HydrophobicContact CG2-CD2 3.92Å; T108-W112 HydrophobicContact CG2-CE3 4.1Å; T108-W112 HydrophobicContact CG2-CG 4.08Å; T108-I248 HydrophobicContact CG2-CD1 4.28Å; T108-M424 HydrophobicContact CG2-CE 4Å; T108-M424 HydrophobicContact CG2-CG 4.27Å
109	K	81.9	Confident	89.6	Confident	117 Å²	117	47 Å²	47	51%	0.509	22%	0.221	S	C	.	.			trans	-59.1	152.4	166.5	-73	178.1	171.1	169.6	0	110.5	E111 W112 N423	K109-E111 VanDerWaalsContact C-N 3.3Å; K109-E111 PolarHBondContact O-N 2.81Å; K109-W112 HydrophobicContact CB-CB 4.45Å; K109-W112 VanDerWaalsContact O-CB 3.29Å; K109-W112 WeakPolarHBondContact O-CB 3.26Å; K109-W112 PolarHBondContact O-N 2.86Å; K109-N423 HydrophobicContact CD-CB 4.09Å; K109-N423 WeakPolarHBondContact CE-OD1 3.41Å; K109-N423 HydrophobicContact CG-CB 4.33Å; K109-N423 PolarHBondContact NZ-OD1 3.41Å
110	P	77.2	Confident	89.4	Confident	142 Å²	142	50.8 Å²	50.8	92%	0.922	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-42.3	179.4	-27.7	35.2	0	0	0	113.7
111	E	77.9	Confident	89.3	Confident	187 Å²	187	49.1 Å²	49.1	87%	0.874	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	59.8	174.3	-64.8	-169.1	164.3	0	0	111.5	K109	K109-E111 VanDerWaalsContact C-N 3.3Å; K109-E111 PolarHBondContact O-N 2.81Å
112	W	85.5	Confident	89.1	Confident	30 Å²	30	53.7 Å²	53.7	11%	0.114	26%	0.259	C	S	.	.			trans	-90.2	116.1	177.1	-173.7	87.3	0	0	0	111.3	T108 K109 I114 F193 L197 I248 W422 M424	T108-W112 HydrophobicContact CG2-CB 4.46Å; T108-W112 HydrophobicContact CG2-CD2 3.92Å; T108-W112 HydrophobicContact CG2-CE3 4.1Å; T108-W112 HydrophobicContact CG2-CG 4.08Å; K109-W112 HydrophobicContact CB-CB 4.45Å; K109-W112 VanDerWaalsContact O-CB 3.29Å; K109-W112 WeakPolarHBondContact O-CB 3.26Å; K109-W112 PolarHBondContact O-N 2.86Å; W112-I114 HydrophobicContact CH2-CD1 3.55Å; W112-I114 HydrophobicContact CH2-CG1 3.59Å; W112-I114 HydrophobicContact CZ2-CD1 4.18Å; W112-I114 HydrophobicContact CZ2-CG1 3.94Å; W112-I114 HydrophobicContact CZ3-CD1 4.15Å; W112-I114 HydrophobicContact CZ3-CG1 4Å; W112-F193 HydrophobicContact CE3-CE2 4.46Å; W112-F193 HydrophobicContact CH2-CE2 4.15Å; W112-F193 HydrophobicContact CH2-CZ 4.36Å; W112-F193 AromaticContact CZ3-CE2 3.53Å; W112-F193 HydrophobicContact CZ3-CE2 3.53Å; W112-F193 AromaticContact CZ3-CZ 3.6Å; W112-F193 HydrophobicContact CZ3-CZ 3.6Å; W112-L197 HydrophobicContact CH2-CD2 3.92Å; W112-I248 HydrophobicContact CE3-CD1 4.43Å; W112-I248 HydrophobicContact CH2-CD1 4.44Å; W112-I248 HydrophobicContact CZ3-CD1 3.85Å; W112-W422 HydrophobicContact CZ2-CE3 4.47Å; W112-W422 PolarHBondContact NE1-O 3.31Å; W112-M424 HydrophobicContact CH2-CE 4.13Å; W112-M424 HydrophobicContact CH2-SD 4.48Å; W112-M424 HydrophobicContact CZ2-CE 4.16Å; W112-M424 HydrophobicContact CZ2-CG 4.29Å; W112-M424 HydrophobicContact CZ2-SD 4.03Å
113	R	85.6	Confident	88.7	Confident	142 Å²	142	56.9 Å²	56.9	54%	0.536	28%	0.279	S	S	.	.			trans	-131.4	148.6	174.4	-60.3	-131.8	-67.7	-116.4	4.5	110.9	F185	R113-F185 HydrophobicContact CB-CD1 4.09Å; R113-F185 VanDerWaalsContact NH2-CD2 3.33Å; R113-F185 VanDerWaalsContact NH2-CE2 3.32Å
114	I	89.1	Confident	88.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.3	173.2	-52.4	-178.4	0	0	0	108	W112 F154 I186 F193 V196 W422	W112-I114 HydrophobicContact CH2-CD1 3.55Å; W112-I114 HydrophobicContact CH2-CG1 3.59Å; W112-I114 HydrophobicContact CZ2-CD1 4.18Å; W112-I114 HydrophobicContact CZ2-CG1 3.94Å; W112-I114 HydrophobicContact CZ3-CD1 4.15Å; W112-I114 HydrophobicContact CZ3-CG1 4Å; I114-F154 HydrophobicContact CG2-CB 4.21Å; I114-I186 HydrophobicContact CB-CB 4.34Å; I114-I186 HydrophobicContact CB-CD1 4.27Å; I114-I186 HydrophobicContact CB-CG1 4.44Å; I114-I186 HydrophobicContact CG2-CD1 3.77Å; I114-I186 HydrophobicContact CG2-CG1 4.32Å; I114-I186 PolarHBondContact O-N 2.74Å; I114-F193 HydrophobicContact CD1-CD2 3.71Å; I114-F193 HydrophobicContact CD1-CE2 3.77Å; I114-F193 HydrophobicContact CG1-CD2 4.32Å; I114-F193 HydrophobicContact CG1-CE2 4.15Å; I114-V196 HydrophobicContact CD1-CB 4.11Å; I114-V196 HydrophobicContact CD1-CG1 3.59Å; I114-V196 HydrophobicContact CG2-CG1 4.3Å; I114-W422 HydrophobicContact CG2-CZ3 4.42Å
115	V	90.4	Very high	88	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136	177.9	-163.8	0	0	0	0	109.5	Y117 F154 T155 K158 F182 F185	V115-Y117 HydrophobicContact CB-CD2 4.49Å; V115-Y117 HydrophobicContact CB-CE2 3.67Å; V115-Y117 HydrophobicContact CG1-CD2 4.17Å; V115-Y117 HydrophobicContact CG1-CE1 4.24Å; V115-Y117 HydrophobicContact CG1-CE2 3.37Å; V115-Y117 VanDerWaalsContact CG1-CZ 3.42Å; V115-Y117 WeakPolarHBondContact CG1-OH 3.46Å; V115-F154 WeakPolarHBondContact O-CA 3.38Å; V115-T155 PolarHBondContact N-O 2.77Å; V115-T155 PolarHBondContact O-N 3.01Å; V115-T155 VanDerWaalsContact O-N 3.15Å; V115-K158 HydrophobicContact CG2-CB 4.44Å; V115-F182 HydrophobicContact CG1-CD2 3.77Å; V115-F182 HydrophobicContact CG1-CE2 3.43Å; V115-F182 VanDerWaalsContact CG1-CE2 3.43Å; V115-F185 HydrophobicContact CG2-CD1 4.02Å; V115-F185 HydrophobicContact CG2-CE1 3.87Å
116	H	91.5	Very high	87.5	Confident	12 Å²	12	67.4 Å²	67.4	6%	0.056	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.2	-179.7	179.3	-151.1	0	0	0	110.3	Q152 F154 V183 G184 I186	H116-Q152 PolarHBondContact CE1-OE1 2.6Å; H116-Q152 PolarHBondContact NE2-OE1 3.42Å; H116-F154 HydrophobicContact CB-CD1 4.05Å; H116-F154 HydrophobicContact CB-CE1 3.98Å; H116-F154 AromaticContact CD2-CD1 3.8Å; H116-F154 AromaticContact CD2-CE1 3.32Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.43Å; H116-F154 AromaticContact CD2-CZ 4Å; H116-F154 AromaticContact CG-CE1 3.57Å; H116-F154 AromaticContact NE2-CE1 3.96Å; H116-V183 WeakPolarHBondContact O-CB 3.45Å; H116-V183 PolarHBondContact O-N 2.75Å; H116-G184 PolarHBondContact N-O 3.43Å; H116-G184 PolarHBondContact O-N 2.65Å; H116-I186 HydrophobicContact CB-CD1 4.43Å; H116-I186 HydrophobicContact CB-CG1 4.08Å
117	Y	91.1	Very high	87.1	Confident	1 Å²	1	71 Å²	71	0%	0.004	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	154.1	176.1	-57.5	-92.2	0	0	0	111.4	V115 L153 T155 R157 K158 F159 I180 K181 F182	V115-Y117 HydrophobicContact CB-CD2 4.49Å; V115-Y117 HydrophobicContact CB-CE2 3.67Å; V115-Y117 HydrophobicContact CG1-CD2 4.17Å; V115-Y117 HydrophobicContact CG1-CE1 4.24Å; V115-Y117 HydrophobicContact CG1-CE2 3.37Å; V115-Y117 VanDerWaalsContact CG1-CZ 3.42Å; V115-Y117 WeakPolarHBondContact CG1-OH 3.46Å; Y117-L153 HydrophobicContact CD2-CD2 4.27Å; Y117-L153 HydrophobicContact CD2-CG 4.41Å; Y117-L153 HydrophobicContact CG-CD2 4.45Å; Y117-L153 PolarHBondContact N-O 2.69Å; Y117-L153 PolarHBondContact O-N 3.39Å; Y117-T155 HydrophobicContact CD2-CG2 3.99Å; Y117-T155 HydrophobicContact CE2-CG2 3.5Å; Y117-R157 PolarHBondContact OH-O 3.32Å; Y117-K158 VanDerWaalsContact OH-CA 3.26Å; Y117-K158 WeakPolarHBondContact OH-CA 3.45Å; Y117-F159 HydrophobicContact CD1-CD2 4.11Å; Y117-F159 HydrophobicContact CD2-CE2 4.49Å; Y117-F159 HydrophobicContact CE1-CB 4.46Å; Y117-F159 AromaticContact CE1-CD2 3.44Å; Y117-F159 HydrophobicContact CE1-CD2 3.44Å; Y117-F159 VanDerWaalsContact CE1-CD2 3.44Å; Y117-F159 HydrophobicContact CE1-CE2 4.15Å; Y117-F159 HydrophobicContact CE1-CG 4.4Å; Y117-F159 HydrophobicContact CE2-CD2 4.04Å; Y117-F159 HydrophobicContact CE2-CE2 4.04Å; Y117-F159 AromaticContact CZ-CD2 3.37Å; Y117-F159 AromaticContact CZ-CE2 3.85Å; Y117-F159 WeakPolarHBondContact OH-CD2 3.33Å; Y117-F159 PolarHBondContact OH-N 3.36Å; Y117-I180 HydrophobicContact CD1-CG2 3.75Å; Y117-I180 HydrophobicContact CG-CG2 3.83Å; Y117-K181 CarbonylContact C-O 3.56Å; Y117-K181 WeakPolarHBondContact CA-O 3.37Å; Y117-K181 WeakPolarHBondContact CB-O 3.31Å; Y117-F182 HydrophobicContact CD1-CB 4.05Å; Y117-F182 HydrophobicContact CD1-CD2 4.29Å; Y117-F182 HydrophobicContact CE1-CB 3.94Å; Y117-F182 AromaticContact CE1-CD2 3.68Å; Y117-F182 HydrophobicContact CE1-CD2 3.68Å; Y117-F182 HydrophobicContact CE1-CG 4.3Å
118	H	92.3	Very high	86.6	Confident	47 Å²	47	69.1 Å²	69.1	22%	0.218	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.1	168.2	-171.2	78.2	0	0	0	109.6	E120 L151 I180 K181 V183	H118-E120 IonicContact CD2-OE1 3.42Å; H118-E120 IonicContact NE2-OE1 3.56Å; H118-L151 VanDerWaalsContact CE1-CG 3.45Å; H118-L151 WeakPolarHBondContact CE1-CG 3.12Å; H118-I180 CarbonylContact O-C 3.5Å; H118-I180 WeakPolarHBondContact O-CA 2.84Å; H118-K181 HydrophobicContact CB-CB 4.48Å; H118-K181 PolarHBondContact N-O 3.25Å; H118-K181 PolarHBondContact O-N 2.89Å; H118-V183 HydrophobicContact CB-CG2 3.88Å
119	V	91.9	Very high	86.5	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.006	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.4	-174.6	-170.6	0	0	0	0	110.7	F121 L135 F148 L151 L153 I178 S179 I180	V119-F121 HydrophobicContact CB-CE2 4.39Å; V119-F121 HydrophobicContact CG1-CD2 4.48Å; V119-F121 HydrophobicContact CG1-CE2 3.7Å; V119-F121 HydrophobicContact CG1-CZ 3.72Å; V119-L135 HydrophobicContact CG1-CD1 4.29Å; V119-F148 HydrophobicContact CB-CE2 3.66Å; V119-F148 HydrophobicContact CB-CZ 4.04Å; V119-F148 HydrophobicContact CG1-CE2 4.2Å; V119-F148 HydrophobicContact CG1-CZ 4.16Å; V119-F148 HydrophobicContact CG2-CD2 4.19Å; V119-F148 HydrophobicContact CG2-CE2 3.63Å; V119-F148 HydrophobicContact CG2-CZ 4.39Å; V119-L151 PolarHBondContact N-O 3.28Å; V119-L153 HydrophobicContact CG2-CB 3.57Å; V119-L153 HydrophobicContact CG2-CD2 4.11Å; V119-L153 HydrophobicContact CG2-CG 4.46Å; V119-I178 HydrophobicContact CG1-CG2 3.38Å; V119-S179 WeakPolarHBondContact CA-O 3.3Å; V119-I180 HydrophobicContact CG1-CG1 4.31Å; V119-I180 HydrophobicContact CG2-CG1 4.39Å
120	E	91.8	Very high	86.7	Confident	79 Å²	79	74.2 Å²	74.2	37%	0.369	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	151	175.1	-73.4	168.6	-159.4	0	0	110.9	H118 I178 S179 K181	H118-E120 IonicContact CD2-OE1 3.42Å; H118-E120 IonicContact NE2-OE1 3.56Å; E120-I178 CarbonylContact O-C 3.57Å; E120-I178 WeakPolarHBondContact O-CA 3.36Å; E120-S179 PolarHBondContact N-O 2.92Å; E120-S179 PolarHBondContact O-N 3.36Å; E120-K181 IonicContact OE1-NZ 2.75Å; E120-K181 PolarHBondContact OE1-NZ 3.41Å; E120-K181 WeakPolarHBondContact OE2-CE 3.45Å; E120-K181 IonicContact OE2-NZ 2.77Å; E120-K181 PolarHBondContact OE2-NZ 3.33Å
121	F	90.3	Very high	87.2	Confident	13 Å²	13	69.7 Å²	69.7	6%	0.057	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.2	-178.7	-60.6	-99	0	0	0	109.8	V119 P123 I125 R131 V134 L135 F148 K177 I178	V119-F121 HydrophobicContact CB-CE2 4.39Å; V119-F121 HydrophobicContact CG1-CD2 4.48Å; V119-F121 HydrophobicContact CG1-CE2 3.7Å; V119-F121 HydrophobicContact CG1-CZ 3.72Å; F121-P123 CarbonylContact C-O 3.24Å; F121-P123 CarbonylContact O-C 3.45Å; F121-I125 HydrophobicContact CB-CD1 4.41Å; F121-I125 HydrophobicContact CD1-CD1 4.22Å; F121-I125 HydrophobicContact CG-CD1 4.45Å; F121-R131 HydrophobicContact CD2-CB 4.3Å; F121-R131 HydrophobicContact CD2-CG 3.87Å; F121-R131 HydrophobicContact CE1-CB 4.28Å; F121-R131 HydrophobicContact CE2-CB 3.72Å; F121-R131 HydrophobicContact CE2-CG 3.8Å; F121-R131 HydrophobicContact CG-CG 4.36Å; F121-R131 HydrophobicContact CZ-CB 3.71Å; F121-R131 HydrophobicContact CZ-CG 4.2Å; F121-V134 HydrophobicContact CD1-CG1 4.23Å; F121-V134 HydrophobicContact CE1-CB 4.34Å; F121-V134 HydrophobicContact CE1-CG1 4.06Å; F121-L135 HydrophobicContact CZ-CB 4.4Å; F121-F148 HydrophobicContact CE2-CE1 4.38Å; F121-F148 AromaticContact CE2-CZ 3.78Å; F121-F148 HydrophobicContact CE2-CZ 3.78Å; F121-F148 AromaticContact CZ-CE1 3.94Å; F121-F148 HydrophobicContact CZ-CE1 3.94Å; F121-F148 AromaticContact CZ-CZ 3.7Å; F121-F148 HydrophobicContact CZ-CZ 3.7Å; F121-K177 CarbonylContact C-O 3.55Å; F121-K177 WeakPolarHBondContact CA-O 3.37Å; F121-I178 HydrophobicContact CD1-CD1 4.47Å; F121-I178 HydrophobicContact CD1-CG1 3.97Å; F121-I178 HydrophobicContact CD1-CG2 4.34Å; F121-I178 HydrophobicContact CE1-CD1 4.03Å; F121-I178 HydrophobicContact CE1-CG1 4Å; F121-I178 HydrophobicContact CE1-CG2 4.05Å; F121-I178 HydrophobicContact CZ-CG2 4.37Å
122	V	89.1	Confident	87.6	Confident	98 Å²	98	64.7 Å²	64.7	59%	0.594	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	119	171.1	179	0	0	0	0	107.2	Y176 K177	V122-Y176 CarbonylContact O-C 3.54Å; V122-Y176 WeakPolarHBondContact O-CA 3.4Å; V122-K177 HydrophobicContact CB-CB 4.37Å; V122-K177 PolarHBondContact N-O 2.81Å; V122-K177 PolarHBondContact O-N 2.98Å
123	P	87.1	Confident	87.6	Confident	67 Å²	67	64.8 Å²	64.8	44%	0.435	33%	0.328	S	S	.	.	S	Bend	cis	-68.1	158.3	-0.9	29.5	-35.2	0	0	0	112.9	F121 I125 I174 E175	F121-P123 CarbonylContact C-O 3.24Å; F121-P123 CarbonylContact O-C 3.45Å; P123-I125 PolarHBondContact O-N 2.8Å; P123-I174 HydrophobicContact CG-CG2 4.19Å; P123-E175 WeakPolarHBondContact CD-O 3.38Å
124	T	86.9	Confident	87.8	Confident	116 Å²	116	58.8 Å²	58.8	71%	0.712	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-64	116.9	-179.5	-52.5	0	0	0	0	110.7
125	I	85.3	Confident	87.7	Confident	30 Å²	30	58.8 Å²	58.8	15%	0.154	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-95.9	119.2	176.9	-58.5	173.5	0	0	0	108.4	F121 P123 V130 R131 V134	F121-I125 HydrophobicContact CB-CD1 4.41Å; F121-I125 HydrophobicContact CD1-CD1 4.22Å; F121-I125 HydrophobicContact CG-CD1 4.45Å; P123-I125 PolarHBondContact O-N 2.8Å; I125-V130 HydrophobicContact CD1-CG1 4.34Å; I125-V130 HydrophobicContact CG2-CB 3.73Å; I125-V130 HydrophobicContact CG2-CG1 3.78Å; I125-R131 HydrophobicContact CB-CG 3.86Å; I125-R131 HydrophobicContact CG2-CG 3.9Å; I125-R131 PolarHBondContact O-NE 3.36Å; I125-R131 PolarHBondContact O-NH2 3.17Å; I125-V134 HydrophobicContact CD1-CG2 4.09Å
126	E	83.4	Confident	87.5	Confident	177 Å²	177	61.2 Å²	61.2	83%	0.827	33%	0.325	S	S	*	.			trans	-74.2	-33.1	179.4	-68.7	-167.9	162.2	0	0	113.5	P128	E126-P128 VanDerWaalsContact O-CD 3.29Å; E126-P128 WeakPolarHBondContact O-CD 3.4Å
127	N	83.3	Confident	87.3	Confident	83 Å²	83	65.8 Å²	65.8	44%	0.444	35%	0.349	S	S	.	.			trans	-83.9	115.6	-174.3	-168.6	-34.9	0	0	0	111.7	R129 V130 R131	N127-R129 VanDerWaalsContact C-N 3.26Å; N127-R129 PolarHBondContact O-N 2.87Å; N127-R129 WeakPolarHBondContact OD1-CB 3.48Å; N127-R129 PolarHBondContact OD1-N 3.16Å; N127-V130 HydrophobicContact CB-CB 4.29Å; N127-V130 HydrophobicContact CB-CG2 3.87Å; N127-V130 PolarHBondContact O-N 3.41Å; N127-V130 VanDerWaalsContact O-N 3.08Å; N127-R131 PolarHBondContact O-N 2.9Å
128	P	80.8	Confident	87.1	Confident	53 Å²	53	67.4 Å²	67.4	34%	0.344	36%	0.357	S	S	.	.	H	α-helix	trans	-61.8	-30.8	-178.4	-23.6	34.9	0	0	0	113.7	E126 V130 R131 M132	E126-P128 VanDerWaalsContact O-CD 3.29Å; E126-P128 WeakPolarHBondContact O-CD 3.4Å; P128-V130 VanDerWaalsContact C-N 3.28Å; P128-V130 PolarHBondContact O-N 2.95Å; P128-R131 WeakPolarHBondContact O-CB 3.45Å; P128-R131 PolarHBondContact O-N 2.87Å; P128-M132 VanDerWaalsContact O-CG 3.27Å; P128-M132 WeakPolarHBondContact O-CG 3.49Å; P128-M132 PolarHBondContact O-N 3.09Å
129	R	83.9	Confident	86.5	Confident	207 Å²	207	66.7 Å²	66.7	78%	0.781	36%	0.359	S	S	*	.	H	α-helix	trans	-65.9	-35.7	178	-65.7	-175.8	-177.7	155.6	3.3	111.7	N127 M132 G133	N127-R129 VanDerWaalsContact C-N 3.26Å; N127-R129 PolarHBondContact O-N 2.87Å; N127-R129 WeakPolarHBondContact OD1-CB 3.48Å; N127-R129 PolarHBondContact OD1-N 3.16Å; R129-M132 PolarHBondContact O-N 2.97Å; R129-G133 PolarHBondContact O-N 2.79Å
130	V	85.7	Confident	85.8	Confident	72 Å²	72	74.2 Å²	74.2	44%	0.436	40%	0.399	S	S	.	.	H	α-helix	trans	-69.3	-44.3	176	-178.8	0	0	0	0	109.3	I125 N127 P128 M132 G133 V134	I125-V130 HydrophobicContact CD1-CG1 4.34Å; I125-V130 HydrophobicContact CG2-CB 3.73Å; I125-V130 HydrophobicContact CG2-CG1 3.78Å; N127-V130 HydrophobicContact CB-CB 4.29Å; N127-V130 HydrophobicContact CB-CG2 3.87Å; N127-V130 PolarHBondContact O-N 3.41Å; N127-V130 VanDerWaalsContact O-N 3.08Å; P128-V130 VanDerWaalsContact C-N 3.28Å; P128-V130 PolarHBondContact O-N 2.95Å; V130-M132 VanDerWaalsContact C-N 3.3Å; V130-M132 PolarHBondContact O-N 3.42Å; V130-G133 PolarHBondContact O-N 2.78Å; V130-G133 VanDerWaalsContact O-N 3.13Å; V130-V134 HydrophobicContact CG1-CG2 4.28Å; V130-V134 VanDerWaalsContact O-CG2 3.31Å; V130-V134 WeakPolarHBondContact O-CG2 3.46Å; V130-V134 PolarHBondContact O-N 3.38Å
131	R	87.6	Confident	85.2	Confident	46 Å²	46	73.4 Å²	73.4	17%	0.174	40%	0.397	C	S	.	.	H	α-helix	trans	-54	-46.2	172.2	-65	-177.4	-174.7	-171.8	-2.6	112.3	F121 I125 N127 P128 V134 L135 F148 G150	F121-R131 HydrophobicContact CD2-CB 4.3Å; F121-R131 HydrophobicContact CD2-CG 3.87Å; F121-R131 HydrophobicContact CE1-CB 4.28Å; F121-R131 HydrophobicContact CE2-CB 3.72Å; F121-R131 HydrophobicContact CE2-CG 3.8Å; F121-R131 HydrophobicContact CG-CG 4.36Å; F121-R131 HydrophobicContact CZ-CB 3.71Å; F121-R131 HydrophobicContact CZ-CG 4.2Å; I125-R131 HydrophobicContact CB-CG 3.86Å; I125-R131 HydrophobicContact CG2-CG 3.9Å; I125-R131 PolarHBondContact O-NE 3.36Å; I125-R131 PolarHBondContact O-NH2 3.17Å; N127-R131 PolarHBondContact O-N 2.9Å; P128-R131 WeakPolarHBondContact O-CB 3.45Å; P128-R131 PolarHBondContact O-N 2.87Å; R131-V134 PolarHBondContact O-N 3.04Å; R131-L135 WeakPolarHBondContact O-CB 3.26Å; R131-L135 PolarHBondContact O-N 3.01Å; R131-F148 HydrophobicContact CB-CE1 4.19Å; R131-G150 WeakPolarHBondContact CD-O 3.48Å; R131-G150 PolarHBondContact NH1-O 2.91Å
132	M	86.8	Confident	84.6	Confident	83 Å²	83	72.8 Å²	72.8	41%	0.409	39%	0.394	S	S	.	.	H	α-helix	trans	-62.7	-42	177.8	-68.7	173.5	72.8	0	0	112.3	P128 R129 V130 S136 F148	P128-M132 VanDerWaalsContact O-CG 3.27Å; P128-M132 WeakPolarHBondContact O-CG 3.49Å; P128-M132 PolarHBondContact O-N 3.09Å; R129-M132 PolarHBondContact O-N 2.97Å; V130-M132 VanDerWaalsContact C-N 3.3Å; V130-M132 PolarHBondContact O-N 3.42Å; M132-S136 WeakPolarHBondContact O-CB 3.48Å; M132-S136 PolarHBondContact O-N 3.46Å; M132-F148 HydrophobicContact CB-CD1 4.26Å; M132-F148 WeakPolarHBondContact CE-O 3.37Å; M132-F148 HydrophobicContact CG-CD1 3.74Å; M132-F148 HydrophobicContact CG-CE1 4.14Å
133	G	86.7	Confident	83.8	Confident	32 Å²	32	69.1 Å²	69.1	33%	0.33	38%	0.376	S	S	.	.	H	α-helix	trans	-63.8	-44.9	175.5	0	0	0	0	0	112.4	R129 V130 S136 N137	R129-G133 PolarHBondContact O-N 2.79Å; V130-G133 PolarHBondContact O-N 2.78Å; V130-G133 VanDerWaalsContact O-N 3.13Å; G133-S136 WeakPolarHBondContact CA-OG 3.32Å; G133-S136 PolarHBondContact O-N 3.21Å; G133-S136 PolarHBondContact O-OG 3.27Å; G133-N137 PolarHBondContact O-N 3.01Å
134	V	88.2	Confident	83	Confident	15 Å²	15	69.5 Å²	69.5	9%	0.091	38%	0.381	C	S	.	.	H	α-helix	trans	-61.5	-47.5	177.5	171.1	0	0	0	0	111	F121 I125 V130 R131 S136 N137 Y176 I178	F121-V134 HydrophobicContact CD1-CG1 4.23Å; F121-V134 HydrophobicContact CE1-CB 4.34Å; F121-V134 HydrophobicContact CE1-CG1 4.06Å; I125-V134 HydrophobicContact CD1-CG2 4.09Å; V130-V134 HydrophobicContact CG1-CG2 4.28Å; V130-V134 VanDerWaalsContact O-CG2 3.31Å; V130-V134 WeakPolarHBondContact O-CG2 3.46Å; V130-V134 PolarHBondContact O-N 3.38Å; R131-V134 PolarHBondContact O-N 3.04Å; V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 3.09Å; V134-N137 WeakPolarHBondContact O-CB 3.47Å; V134-N137 PolarHBondContact O-N 3.24Å; V134-Y176 HydrophobicContact CG1-CD1 4.12Å; V134-Y176 HydrophobicContact CG1-CD2 3.54Å; V134-Y176 HydrophobicContact CG1-CE1 3.98Å; V134-Y176 HydrophobicContact CG1-CE2 3.4Å; V134-Y176 HydrophobicContact CG1-CG 3.92Å; V134-I178 HydrophobicContact CG1-CD1 3.98Å; V134-I178 HydrophobicContact CG1-CG1 4.45Å
135	L	88	Confident	82.7	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.3	-33.2	176.7	-168.1	71.2	0	0	0	112	V119 F121 R131 N137 H138 L142 Y146 F148 L153 I178 I180	V119-L135 HydrophobicContact CG1-CD1 4.29Å; F121-L135 HydrophobicContact CZ-CB 4.4Å; R131-L135 WeakPolarHBondContact O-CB 3.26Å; R131-L135 PolarHBondContact O-N 3.01Å; L135-N137 PolarHBondContact O-N 3.48Å; L135-H138 PolarHBondContact O-N 3.14Å; L135-L142 HydrophobicContact CD1-CD1 4.24Å; L135-L142 HydrophobicContact CD2-CD1 4.11Å; L135-L142 HydrophobicContact CG-CD1 3.79Å; L135-Y146 HydrophobicContact CD2-CE2 4.34Å; L135-F148 HydrophobicContact CB-CD1 4.1Å; L135-F148 HydrophobicContact CB-CE1 4Å; L135-F148 HydrophobicContact CD2-CB 3.95Å; L135-F148 HydrophobicContact CD2-CD1 3.34Å; L135-F148 HydrophobicContact CD2-CD2 3.66Å; L135-F148 HydrophobicContact CD2-CE1 3.64Å; L135-F148 HydrophobicContact CD2-CE2 3.97Å; L135-F148 HydrophobicContact CD2-CG 3.36Å; L135-F148 HydrophobicContact CD2-CZ 3.95Å; L135-F148 HydrophobicContact CG-CD1 4.34Å; L135-F148 HydrophobicContact CG-CE1 4.43Å; L135-L153 HydrophobicContact CD2-CD1 4.27Å; L135-I178 HydrophobicContact CD1-CD1 3.95Å; L135-I178 HydrophobicContact CD1-CG2 3.98Å; L135-I180 HydrophobicContact CD1-CD1 4.31Å
136	S	86.6	Confident	82.9	Confident	54 Å²	54	64.2 Å²	64.2	38%	0.378	35%	0.346	S	S	.	.	H	α-helix	trans	-65.8	-22.3	179.2	74.5	0	0	0	0	114.5	M132 G133 V134 H138 A139 Y146	M132-S136 WeakPolarHBondContact O-CB 3.48Å; M132-S136 PolarHBondContact O-N 3.46Å; G133-S136 WeakPolarHBondContact CA-OG 3.32Å; G133-S136 PolarHBondContact O-N 3.21Å; G133-S136 PolarHBondContact O-OG 3.27Å; V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 3.09Å; S136-H138 PolarHBondContact O-N 3.25Å; S136-A139 VanDerWaalsContact O-CB 3.28Å; S136-A139 WeakPolarHBondContact O-CB 3.38Å; S136-A139 PolarHBondContact O-N 2.88Å; S136-A139 VanDerWaalsContact O-N 3.16Å; S136-Y146 VanDerWaalsContact CA-OH 3.32Å; S136-Y146 WeakPolarHBondContact CA-OH 3.43Å; S136-Y146 WeakPolarHBondContact CB-OH 3.4Å
137	N	86.9	Confident	83.1	Confident	108 Å²	108	57 Å²	57	58%	0.578	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.6	171.7	-65.9	-19.4	0	0	0	112.2	G133 V134 L135	G133-N137 PolarHBondContact O-N 3.01Å; V134-N137 WeakPolarHBondContact O-CB 3.47Å; V134-N137 PolarHBondContact O-N 3.24Å; L135-N137 PolarHBondContact O-N 3.48Å
138	H	86	Confident	83.2	Confident	35 Å²	35	53.9 Å²	53.9	16%	0.162	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	18.4	179.6	-60.5	-87	0	0	0	112.7	L135 S136 N140 L141 L142 L166 S167 Y176	L135-H138 PolarHBondContact O-N 3.14Å; S136-H138 PolarHBondContact O-N 3.25Å; H138-N140 PolarHBondContact O-N 3.16Å; H138-N140 VanDerWaalsContact O-N 3.08Å; H138-L141 PolarHBondContact O-N 3.21Å; H138-L142 PolarHBondContact O-N 2.89Å; H138-L166 HydrophobicContact CB-CD1 3.86Å; H138-S167 PolarHBondContact CE1-O 2.92Å; H138-Y176 AromaticContact NE2-CE2 3.56Å; H138-Y176 AromaticContact NE2-CZ 3.78Å; H138-Y176 PolarHBondContact NE2-OH 3.15Å; H138-Y176 VanDerWaalsContact NE2-OH 3.09Å
139	A	79.5	Confident	83.1	Confident	31 Å²	31	55.1 Å²	55.1	26%	0.256	30%	0.299	S	S	.	.	H	α-helix	trans	-53.8	-32.9	-176.2	0	0	0	0	0	113.6	S136 L141 L142 G143 Y146	S136-A139 VanDerWaalsContact O-CB 3.28Å; S136-A139 WeakPolarHBondContact O-CB 3.38Å; S136-A139 PolarHBondContact O-N 2.88Å; S136-A139 VanDerWaalsContact O-N 3.16Å; A139-L141 PolarHBondContact O-N 3Å; A139-L142 PolarHBondContact O-N 2.85Å; A139-G143 PolarHBondContact O-N 2.86Å; A139-Y146 HydrophobicContact CB-CE1 4.1Å
140	N	78.9	Confident	82.9	Confident	159 Å²	159	45.3 Å²	45.3	85%	0.85	26%	0.263	S	S	*	.	H	α-helix	trans	-59.7	-34.5	178.9	-59.9	-8.3	0	0	0	112.5	H138	H138-N140 PolarHBondContact O-N 3.16Å; H138-N140 VanDerWaalsContact O-N 3.08Å
141	L	79.1	Confident	82.9	Confident	62 Å²	62	45 Å²	45	33%	0.325	26%	0.258	S	S	.	.	H	α-helix	trans	-81.3	-37	-179.3	-168.3	75.2	0	0	0	112.1	H138 A139 G143 R157 F159 T164 L166	H138-L141 PolarHBondContact O-N 3.21Å; A139-L141 PolarHBondContact O-N 3Å; L141-G143 PolarHBondContact O-N 2.95Å; L141-R157 WeakPolarHBondContact O-CD 3.44Å; L141-R157 PolarHBondContact O-NH1 3Å; L141-F159 HydrophobicContact CG-CE1 4.21Å; L141-T164 HydrophobicContact CD2-CG2 4.4Å; L141-L166 HydrophobicContact CD2-CD1 4.02Å; L141-L166 HydrophobicContact CD2-CD2 3.23Å; L141-L166 HydrophobicContact CD2-CG 4.21Å
142	L	76.9	Confident	83	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-15.4	-177.7	-59	171.7	0	0	0	113.4	L135 H138 A139 Y146 L153 T155 F159 I180	L135-L142 HydrophobicContact CD1-CD1 4.24Å; L135-L142 HydrophobicContact CD2-CD1 4.11Å; L135-L142 HydrophobicContact CG-CD1 3.79Å; H138-L142 PolarHBondContact O-N 2.89Å; A139-L142 PolarHBondContact O-N 2.85Å; L142-Y146 HydrophobicContact CB-CD1 3.89Å; L142-Y146 HydrophobicContact CB-CE1 4.41Å; L142-Y146 HydrophobicContact CB-CG 4.2Å; L142-Y146 HydrophobicContact CD1-CD1 3.97Å; L142-Y146 HydrophobicContact CD1-CD2 4.12Å; L142-Y146 HydrophobicContact CD1-CE1 3.83Å; L142-Y146 HydrophobicContact CD1-CE2 3.97Å; L142-Y146 HydrophobicContact CD1-CG 4.13Å; L142-L153 HydrophobicContact CD2-CD2 3.8Å; L142-T155 PolarHBondContact O-OG1 3.1Å; L142-F159 HydrophobicContact CD2-CZ 4.03Å; L142-I180 HydrophobicContact CD2-CD1 3.91Å
143	G	72.1	Confident	83.1	Confident	21 Å²	21	40.6 Å²	40.6	22%	0.216	24%	0.239	C	C	.	.			trans	92.6	171.1	-172.2	0	0	0	0	0	112	A139 L141 G145	A139-G143 PolarHBondContact O-N 2.86Å; L141-G143 PolarHBondContact O-N 2.95Å; G143-G145 VanDerWaalsContact C-N 3.27Å; G143-G145 PolarHBondContact O-N 3.37Å
144	S	71.1	Confident	83.3	Confident	76 Å²	76	40.4 Å²	40.4	53%	0.531	23%	0.229	S	C	.	.	S	Bend	trans	-60.1	-34.6	-176	49.1	0	0	0	0	113.4	D421	S144-D421 WeakPolarHBondContact O-CB 3.37Å; S144-D421 VanDerWaalsContact OG-CA 3.32Å; S144-D421 WeakPolarHBondContact OG-CA 3.43Å; S144-D421 PolarHBondContact OG-O 3.18Å
145	G	80.1	Confident	83.4	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.01	23%	0.225	C	C	.	.			trans	-125.6	115	-176.3	0	0	0	0	0	112.8	G143 D421	G143-G145 VanDerWaalsContact C-N 3.27Å; G143-G145 PolarHBondContact O-N 3.37Å; G145-D421 WeakPolarHBondContact CA-O 3.38Å; G145-D421 PolarHBondContact N-O 2.81Å; G145-D421 VanDerWaalsContact N-O 3.09Å
146	Y	89.1	Confident	83.3	Confident	34 Å²	34	41.3 Å²	41.3	13%	0.133	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.5	170.1	74.2	-86.1	0	0	0	112	L135 S136 A139 L142 F148 L153 F154 R203	L135-Y146 HydrophobicContact CD2-CE2 4.34Å; S136-Y146 VanDerWaalsContact CA-OH 3.32Å; S136-Y146 WeakPolarHBondContact CA-OH 3.43Å; S136-Y146 WeakPolarHBondContact CB-OH 3.4Å; A139-Y146 HydrophobicContact CB-CE1 4.1Å; L142-Y146 HydrophobicContact CB-CD1 3.89Å; L142-Y146 HydrophobicContact CB-CE1 4.41Å; L142-Y146 HydrophobicContact CB-CG 4.2Å; L142-Y146 HydrophobicContact CD1-CD1 3.97Å; L142-Y146 HydrophobicContact CD1-CD2 4.12Å; L142-Y146 HydrophobicContact CD1-CE1 3.83Å; L142-Y146 HydrophobicContact CD1-CE2 3.97Å; L142-Y146 HydrophobicContact CD1-CG 4.13Å; Y146-F148 HydrophobicContact CD2-CB 3.96Å; Y146-F148 HydrophobicContact CE2-CB 3.9Å; Y146-L153 HydrophobicContact CD2-CD1 3.63Å; Y146-L153 HydrophobicContact CG-CD1 4.13Å; Y146-F154 CarbonylContact C-O 3.58Å; Y146-F154 VanDerWaalsContact CA-O 3.25Å; Y146-F154 WeakPolarHBondContact CA-O 3.28Å; Y146-F154 WeakPolarHBondContact CB-O 3.32Å; Y146-R203 PolarHBondContact O-NH1 3.38Å
147	L	87.4	Confident	83.3	Confident	24 Å²	24	44.3 Å²	44.3	13%	0.126	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.8	170.4	-70.7	173.1	0	0	0	108.4	L153 F154 V196 L199 I200 W422	L147-L153 WeakPolarHBondContact O-CA 3.25Å; L147-F154 HydrophobicContact CB-CB 4.33Å; L147-F154 HydrophobicContact CB-CD2 4.32Å; L147-F154 PolarHBondContact N-O 2.87Å; L147-F154 PolarHBondContact O-N 2.81Å; L147-V196 HydrophobicContact CD1-CG1 3.99Å; L147-L199 HydrophobicContact CD1-CB 3.52Å; L147-L199 HydrophobicContact CD1-CD1 3.98Å; L147-L199 HydrophobicContact CD1-CG 4.42Å; L147-L199 HydrophobicContact CD2-CB 4.25Å; L147-I200 HydrophobicContact CD1-CG1 4.18Å; L147-W422 HydrophobicContact CB-CZ2 4.28Å; L147-W422 HydrophobicContact CD1-CH2 4.31Å; L147-W422 HydrophobicContact CD1-CZ2 4.15Å; L147-W422 HydrophobicContact CG-CH2 4.18Å; L147-W422 HydrophobicContact CG-CZ2 3.66Å
148	F	86.1	Confident	83.3	Confident	18 Å²	18	45.3 Å²	45.3	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	129.7	-179.5	-178.5	-122.3	0	0	0	110.1	V119 F121 R131 M132 L135 Y146 Q152 L153	V119-F148 HydrophobicContact CB-CE2 3.66Å; V119-F148 HydrophobicContact CB-CZ 4.04Å; V119-F148 HydrophobicContact CG1-CE2 4.2Å; V119-F148 HydrophobicContact CG1-CZ 4.16Å; V119-F148 HydrophobicContact CG2-CD2 4.19Å; V119-F148 HydrophobicContact CG2-CE2 3.63Å; V119-F148 HydrophobicContact CG2-CZ 4.39Å; F121-F148 HydrophobicContact CE2-CE1 4.38Å; F121-F148 AromaticContact CE2-CZ 3.78Å; F121-F148 HydrophobicContact CE2-CZ 3.78Å; F121-F148 AromaticContact CZ-CE1 3.94Å; F121-F148 HydrophobicContact CZ-CE1 3.94Å; F121-F148 AromaticContact CZ-CZ 3.7Å; F121-F148 HydrophobicContact CZ-CZ 3.7Å; R131-F148 HydrophobicContact CB-CE1 4.19Å; M132-F148 HydrophobicContact CB-CD1 4.26Å; M132-F148 WeakPolarHBondContact CE-O 3.37Å; M132-F148 HydrophobicContact CG-CD1 3.74Å; M132-F148 HydrophobicContact CG-CE1 4.14Å; L135-F148 HydrophobicContact CB-CD1 4.1Å; L135-F148 HydrophobicContact CB-CE1 4Å; L135-F148 HydrophobicContact CD2-CB 3.95Å; L135-F148 HydrophobicContact CD2-CD1 3.34Å; L135-F148 HydrophobicContact CD2-CD2 3.66Å; L135-F148 HydrophobicContact CD2-CE1 3.64Å; L135-F148 HydrophobicContact CD2-CE2 3.97Å; L135-F148 HydrophobicContact CD2-CG 3.36Å; L135-F148 HydrophobicContact CD2-CZ 3.95Å; L135-F148 HydrophobicContact CG-CD1 4.34Å; L135-F148 HydrophobicContact CG-CE1 4.43Å; Y146-F148 HydrophobicContact CD2-CB 3.96Å; Y146-F148 HydrophobicContact CE2-CB 3.9Å; F148-Q152 WeakPolarHBondContact CA-O 3.47Å; F148-Q152 VanDerWaalsContact CD2-O 3.23Å; F148-Q152 WeakPolarHBondContact CD2-O 3.5Å; F148-L153 HydrophobicContact CB-CD1 4.2Å; F148-L153 HydrophobicContact CD2-CB 3.95Å; F148-L153 HydrophobicContact CD2-CD1 4.48Å
149	D	78.8	Confident	83.3	Confident	79 Å²	79	44.5 Å²	44.5	42%	0.422	23%	0.233	S	C	.	.			trans	-104.6	2.9	-177.6	71.5	-2.3	0	0	0	113.8	L151 Q152	D149-L151 PolarHBondContact OD1-N 3.28Å; D149-Q152 PolarHBondContact N-O 2.67Å; D149-Q152 PolarHBondContact OD1-N 3.38Å
150	G	80.1	Confident	83.5	Confident	2 Å²	2	52.6 Å²	52.6	2%	0.021	27%	0.266	C	S	.	.	S	Bend	trans	102.4	-5.7	-173.2	0	0	0	0	0	114.1	R131	R131-G150 WeakPolarHBondContact CD-O 3.48Å; R131-G150 PolarHBondContact NH1-O 2.91Å
151	L	84.9	Confident	83.7	Confident	64 Å²	64	50.9 Å²	50.9	34%	0.335	25%	0.253	S	S	.	.	S	Bend	trans	-145	-49.8	176.7	-166.2	99.3	0	0	0	112	H118 V119 D149	H118-L151 VanDerWaalsContact CE1-CG 3.45Å; H118-L151 WeakPolarHBondContact CE1-CG 3.12Å; V119-L151 PolarHBondContact N-O 3.28Å; D149-L151 PolarHBondContact OD1-N 3.28Å
152	Q	88.7	Confident	83.7	Confident	37 Å²	37	54.9 Å²	54.9	17%	0.173	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.3	-179.1	-53.5	-64.1	-6	0	0	110.2	H116 F148 D149 F154	H116-Q152 PolarHBondContact CE1-OE1 2.6Å; H116-Q152 PolarHBondContact NE2-OE1 3.42Å; F148-Q152 WeakPolarHBondContact CA-O 3.47Å; F148-Q152 VanDerWaalsContact CD2-O 3.23Å; F148-Q152 WeakPolarHBondContact CD2-O 3.5Å; D149-Q152 PolarHBondContact N-O 2.67Å; D149-Q152 PolarHBondContact OD1-N 3.38Å; Q152-F154 HydrophobicContact CB-CE2 4.31Å; Q152-F154 HydrophobicContact CB-CZ 4.31Å
153	L	89.7	Confident	84.2	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.2	178.7	169.5	69.8	0	0	0	110.1	Y117 V119 L135 L142 Y146 L147 F148 I180	Y117-L153 HydrophobicContact CD2-CD2 4.27Å; Y117-L153 HydrophobicContact CD2-CG 4.41Å; Y117-L153 HydrophobicContact CG-CD2 4.45Å; Y117-L153 PolarHBondContact N-O 2.69Å; Y117-L153 PolarHBondContact O-N 3.39Å; V119-L153 HydrophobicContact CG2-CB 3.57Å; V119-L153 HydrophobicContact CG2-CD2 4.11Å; V119-L153 HydrophobicContact CG2-CG 4.46Å; L135-L153 HydrophobicContact CD2-CD1 4.27Å; L142-L153 HydrophobicContact CD2-CD2 3.8Å; Y146-L153 HydrophobicContact CD2-CD1 3.63Å; Y146-L153 HydrophobicContact CG-CD1 4.13Å; L147-L153 WeakPolarHBondContact O-CA 3.25Å; F148-L153 HydrophobicContact CB-CD1 4.2Å; F148-L153 HydrophobicContact CD2-CB 3.95Å; F148-L153 HydrophobicContact CD2-CD1 4.48Å; L153-I180 HydrophobicContact CD2-CD1 4.4Å; L153-I180 HydrophobicContact CD2-CG2 3.98Å
154	F	90.6	Very high	84.9	Confident	28 Å²	28	58.5 Å²	58.5	12%	0.123	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.6	172.8	-53.9	-70.7	0	0	0	109.9	I114 V115 H116 Y146 L147 Q152 I186 V196 W422	I114-F154 HydrophobicContact CG2-CB 4.21Å; V115-F154 WeakPolarHBondContact O-CA 3.38Å; H116-F154 HydrophobicContact CB-CD1 4.05Å; H116-F154 HydrophobicContact CB-CE1 3.98Å; H116-F154 AromaticContact CD2-CD1 3.8Å; H116-F154 AromaticContact CD2-CE1 3.32Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.43Å; H116-F154 AromaticContact CD2-CZ 4Å; H116-F154 AromaticContact CG-CE1 3.57Å; H116-F154 AromaticContact NE2-CE1 3.96Å; Y146-F154 CarbonylContact C-O 3.58Å; Y146-F154 VanDerWaalsContact CA-O 3.25Å; Y146-F154 WeakPolarHBondContact CA-O 3.28Å; Y146-F154 WeakPolarHBondContact CB-O 3.32Å; L147-F154 HydrophobicContact CB-CB 4.33Å; L147-F154 HydrophobicContact CB-CD2 4.32Å; L147-F154 PolarHBondContact N-O 2.87Å; L147-F154 PolarHBondContact O-N 2.81Å; Q152-F154 HydrophobicContact CB-CE2 4.31Å; Q152-F154 HydrophobicContact CB-CZ 4.31Å; F154-I186 HydrophobicContact CD1-CD1 3.55Å; F154-I186 HydrophobicContact CE1-CD1 3.56Å; F154-V196 HydrophobicContact CB-CG2 4.33Å; F154-V196 HydrophobicContact CD1-CG2 4.08Å; F154-V196 HydrophobicContact CD2-CG2 3.9Å; F154-V196 HydrophobicContact CE1-CG2 4.34Å; F154-V196 HydrophobicContact CE2-CG2 4.19Å; F154-V196 HydrophobicContact CG-CG2 3.83Å; F154-V196 HydrophobicContact CZ-CG2 4.39Å; F154-W422 HydrophobicContact CB-CH2 4.22Å; F154-W422 WeakPolarHBondContact O-CH2 3.28Å
155	T	90.6	Very high	85.7	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	167.9	176.7	179.2	0	0	0	0	110.1	V115 Y117 L142 R157	V115-T155 PolarHBondContact N-O 2.77Å; V115-T155 PolarHBondContact O-N 3.01Å; V115-T155 VanDerWaalsContact O-N 3.15Å; Y117-T155 HydrophobicContact CD2-CG2 3.99Å; Y117-T155 HydrophobicContact CE2-CG2 3.5Å; L142-T155 PolarHBondContact O-OG1 3.1Å; T155-R157 WeakPolarHBondContact CG2-O 3.42Å; T155-R157 PolarHBondContact OG1-N 3.18Å
156	T	86.4	Confident	86.1	Confident	34 Å²	34	59.9 Å²	59.9	21%	0.209	29%	0.288	C	S	.	.	S	Bend	trans	-88.9	-16.3	171.7	53.4	0	0	0	0	112.5	W422	T156-W422 HydrophobicContact CG2-CE3 3.85Å; T156-W422 HydrophobicContact CG2-CZ3 4.29Å
157	R	86.3	Confident	86	Confident	118 Å²	118	62.5 Å²	62.5	45%	0.445	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-83.8	126.6	-179.8	-169.6	178	-177.1	175.4	4.6	111.1	Y117 L141 T155	Y117-R157 PolarHBondContact OH-O 3.32Å; L141-R157 WeakPolarHBondContact O-CD 3.44Å; L141-R157 PolarHBondContact O-NH1 3Å; T155-R157 WeakPolarHBondContact CG2-O 3.42Å; T155-R157 PolarHBondContact OG1-N 3.18Å
158	K	86.6	Confident	85.9	Confident	128 Å²	128	62.3 Å²	62.3	56%	0.557	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-84.8	125.1	166.3	-160.7	-168.7	-179.2	-170.8	0	109.3	V115 Y117 F185	V115-K158 HydrophobicContact CG2-CB 4.44Å; Y117-K158 VanDerWaalsContact OH-CA 3.26Å; Y117-K158 WeakPolarHBondContact OH-CA 3.45Å; K158-F185 HydrophobicContact CD-CE1 4.5Å; K158-F185 HydrophobicContact CD-CZ 3.91Å; K158-F185 HydrophobicContact CG-CZ 4.48Å
159	F	87.2	Confident	85.7	Confident	18 Å²	18	66.7 Å²	66.7	8%	0.079	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-78.4	147.7	168.7	-60.9	-64.1	0	0	0	109.7	Y117 L141 L142 I180	Y117-F159 HydrophobicContact CD1-CD2 4.11Å; Y117-F159 HydrophobicContact CD2-CE2 4.49Å; Y117-F159 HydrophobicContact CE1-CB 4.46Å; Y117-F159 AromaticContact CE1-CD2 3.44Å; Y117-F159 HydrophobicContact CE1-CD2 3.44Å; Y117-F159 VanDerWaalsContact CE1-CD2 3.44Å; Y117-F159 HydrophobicContact CE1-CE2 4.15Å; Y117-F159 HydrophobicContact CE1-CG 4.4Å; Y117-F159 HydrophobicContact CE2-CD2 4.04Å; Y117-F159 HydrophobicContact CE2-CE2 4.04Å; Y117-F159 AromaticContact CZ-CD2 3.37Å; Y117-F159 AromaticContact CZ-CE2 3.85Å; Y117-F159 WeakPolarHBondContact OH-CD2 3.33Å; Y117-F159 PolarHBondContact OH-N 3.36Å; L141-F159 HydrophobicContact CG-CE1 4.21Å; L142-F159 HydrophobicContact CD2-CZ 4.03Å; F159-I180 HydrophobicContact CD2-CG2 4.4Å; F159-I180 HydrophobicContact CE2-CG2 4.18Å
160	E	83.4	Confident	85.7	Confident	202 Å²	202	64.6 Å²	64.6	94%	0.944	33%	0.326	S	S	*	.	S	Bend	trans	-70.2	-37.5	-179.8	-66	177.1	-173.2	0	0	111.6
161	Q	83	Confident	85.5	Confident	123 Å²	123	75 Å²	75	58%	0.575	37%	0.37	S	S	*	.	S	Bend	trans	-90	142	-179.1	-64.7	167.6	-5.7	0	0	110.8	I163	Q161-I163 PolarHBondContact O-N 3.45Å
162	E	79.6	Confident	85.3	Confident	145 Å²	145	78.8 Å²	78.8	68%	0.678	39%	0.39	S	S	*	.	S	Bend	trans	-64.8	-32.3	175	-166.7	176.1	-165.9	0	0	111.9	K181 F182	E162-K181 CarbonylContact O-C 3.58Å; E162-K181 WeakPolarHBondContact O-CA 3.21Å; E162-F182 HydrophobicContact CG-CB 4.36Å; E162-F182 PolarHBondContact O-N 3.46Å
163	I	87.4	Confident	84.9	Confident	82 Å²	82	82 Å²	82	42%	0.421	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	112.6	172.4	-53.7	-175.6	0	0	0	108.3	Q161 V165 S179 I180 K181	Q161-I163 PolarHBondContact O-N 3.45Å; I163-V165 HydrophobicContact CG2-CG2 4.21Å; I163-S179 VanDerWaalsContact CG2-OG 3.25Å; I163-S179 WeakPolarHBondContact CG2-OG 3.37Å; I163-I180 WeakPolarHBondContact CA-O 3.24Å; I163-K181 HydrophobicContact CD1-CG 4.28Å; I163-K181 HydrophobicContact CG1-CG 4.09Å; I163-K181 HydrophobicContact CG2-CG 4.28Å
164	T	86.7	Confident	84.7	Confident	16 Å²	16	86.3 Å²	86.3	10%	0.098	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	120.5	172.9	-56.1	0	0	0	0	109	L141 L166 I180	L141-T164 HydrophobicContact CD2-CG2 4.4Å; T164-L166 HydrophobicContact CG2-CD2 4.14Å; T164-I180 PolarHBondContact N-O 2.87Å; T164-I180 PolarHBondContact O-N 3.09Å
165	V	87.5	Confident	84.6	Confident	87 Å²	87	91.4 Å²	91.4	53%	0.527	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.8	178.3	-176.4	0	0	0	0	109.8	I163 I178	I163-V165 HydrophobicContact CG2-CG2 4.21Å; V165-I178 CarbonylContact C-O 3.54Å; V165-I178 WeakPolarHBondContact CA-O 3.44Å
166	L	87.1	Confident	84.5	Confident	18 Å²	18	92.1 Å²	92.1	9%	0.094	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.2	175.1	-51.9	175	0	0	0	109.5	H138 L141 T164 K177 I178 I180	H138-L166 HydrophobicContact CB-CD1 3.86Å; L141-L166 HydrophobicContact CD2-CD1 4.02Å; L141-L166 HydrophobicContact CD2-CD2 3.23Å; L141-L166 HydrophobicContact CD2-CG 4.21Å; T164-L166 HydrophobicContact CG2-CD2 4.14Å; L166-K177 CarbonylContact O-C 3.59Å; L166-K177 VanDerWaalsContact O-CA 3.31Å; L166-K177 WeakPolarHBondContact O-CA 3.49Å; L166-I178 HydrophobicContact CB-CB 4.18Å; L166-I178 PolarHBondContact N-O 2.63Å; L166-I178 PolarHBondContact O-N 2.73Å; L166-I180 HydrophobicContact CD1-CD1 3.72Å; L166-I180 HydrophobicContact CG-CD1 4.43Å
167	S	87.5	Confident	84.7	Confident	89 Å²	89	96.6 Å²	96.6	62%	0.622	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	152	173.6	52.4	0	0	0	0	110.7	H138 Y176	H138-S167 PolarHBondContact CE1-O 2.92Å; S167-Y176 WeakPolarHBondContact CA-O 3.46Å
168	G	85.1	Confident	85	Confident	20 Å²	20	91 Å²	91	21%	0.206	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	171.7	172.7	0	0	0	0	0	111.6	E175 Y176	G168-E175 WeakPolarHBondContact O-CA 3.43Å; G168-Y176 VanDerWaalsContact C-CE1 3.47Å; G168-Y176 PolarHBondContact N-O 2.88Å; G168-Y176 VanDerWaalsContact O-CD1 3.26Å; G168-Y176 WeakPolarHBondContact O-CD1 3.44Å; G168-Y176 WeakPolarHBondContact O-CE1 3.31Å; G168-Y176 PolarHBondContact O-N 2.99Å
169	K	82	Confident	85.2	Confident	110 Å²	110	86.1 Å²	86.1	48%	0.478	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138.9	174.3	-71.4	-176.9	162	-153.9	0	110.5	D173 E175	K169-D173 WeakPolarHBondContact CD-OD1 3.04Å; K169-D173 IonicContact NZ-OD1 3.63Å; K169-D173 IonicContact NZ-OD2 2.9Å; K169-D173 PolarHBondContact NZ-OD2 3.27Å; K169-E175 HydrophobicContact CG-CG 3.94Å
170	S	79.1	Confident	85.5	Confident	36 Å²	36	85.3 Å²	85.3	25%	0.252	43%	0.431	S	S	.	.			trans	-76.1	174.6	175.1	77.2	0	0	0	0	111.2	L172 D173 I174	S170-L172 PolarHBondContact O-N 3.44Å; S170-L172 VanDerWaalsContact O-N 3.1Å; S170-L172 PolarHBondContact OG-N 3.33Å; S170-D173 PolarHBondContact O-N 2.88Å; S170-I174 PolarHBondContact N-O 2.73Å; S170-I174 WeakPolarHBondContact OG-CB 3.41Å; S170-I174 PolarHBondContact OG-N 2.89Å; S170-I174 PolarHBondContact OG-O 2.88Å
171	K	76.7	Confident	85.9	Confident	221 Å²	221	78.8 Å²	78.8	96%	0.961	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.4	172.5	-65.2	-173.1	177.8	-173.3	0	113.8
172	L	79.3	Confident	86.4	Confident	143 Å²	143	75.7 Å²	75.7	75%	0.749	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	18.2	177.7	-62.3	170.2	0	0	0	111.5	S170 I174	S170-L172 PolarHBondContact O-N 3.44Å; S170-L172 VanDerWaalsContact O-N 3.1Å; S170-L172 PolarHBondContact OG-N 3.33Å; L172-I174 HydrophobicContact CB-CD1 4.25Å; L172-I174 HydrophobicContact CB-CG1 4.25Å; L172-I174 PolarHBondContact O-N 3.13Å
173	D	80.9	Confident	86.9	Confident	105 Å²	105	72.6 Å²	72.6	56%	0.561	38%	0.375	S	S	*	.			trans	59	9.1	-176.5	-139.1	51.1	0	0	0	116.5	K169 S170 E175	K169-D173 WeakPolarHBondContact CD-OD1 3.04Å; K169-D173 IonicContact NZ-OD1 3.63Å; K169-D173 IonicContact NZ-OD2 2.9Å; K169-D173 PolarHBondContact NZ-OD2 3.27Å; S170-D173 PolarHBondContact O-N 2.88Å; D173-E175 PolarHBondContact O-N 3.36Å
174	I	85.3	Confident	87.1	Confident	90 Å²	90	69.5 Å²	69.5	46%	0.462	36%	0.364	S	S	.	.			trans	-68	122.3	173	-54.8	170.7	0	0	0	109.4	P123 S170 L172	P123-I174 HydrophobicContact CG-CG2 4.19Å; S170-I174 PolarHBondContact N-O 2.73Å; S170-I174 WeakPolarHBondContact OG-CB 3.41Å; S170-I174 PolarHBondContact OG-N 2.89Å; S170-I174 PolarHBondContact OG-O 2.88Å; L172-I174 HydrophobicContact CB-CD1 4.25Å; L172-I174 HydrophobicContact CB-CG1 4.25Å; L172-I174 PolarHBondContact O-N 3.13Å
175	E	88	Confident	87.2	Confident	135 Å²	135	72.1 Å²	72.1	63%	0.631	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	130.1	170.4	-71.8	-172.7	177.6	0	0	110.7	P123 G168 K169 D173	P123-E175 WeakPolarHBondContact CD-O 3.38Å; G168-E175 WeakPolarHBondContact O-CA 3.43Å; K169-E175 HydrophobicContact CG-CG 3.94Å; D173-E175 PolarHBondContact O-N 3.36Å
176	Y	89.6	Confident	87.2	Confident	15 Å²	15	68.3 Å²	68.3	6%	0.059	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.8	172.1	64.2	-96.7	0	0	0	110.5	V122 V134 H138 S167 G168 I178	V122-Y176 CarbonylContact O-C 3.54Å; V122-Y176 WeakPolarHBondContact O-CA 3.4Å; V134-Y176 HydrophobicContact CG1-CD1 4.12Å; V134-Y176 HydrophobicContact CG1-CD2 3.54Å; V134-Y176 HydrophobicContact CG1-CE1 3.98Å; V134-Y176 HydrophobicContact CG1-CE2 3.4Å; V134-Y176 HydrophobicContact CG1-CG 3.92Å; H138-Y176 AromaticContact NE2-CE2 3.56Å; H138-Y176 AromaticContact NE2-CZ 3.78Å; H138-Y176 PolarHBondContact NE2-OH 3.15Å; H138-Y176 VanDerWaalsContact NE2-OH 3.09Å; S167-Y176 WeakPolarHBondContact CA-O 3.46Å; G168-Y176 VanDerWaalsContact C-CE1 3.47Å; G168-Y176 PolarHBondContact N-O 2.88Å; G168-Y176 VanDerWaalsContact O-CD1 3.26Å; G168-Y176 WeakPolarHBondContact O-CD1 3.44Å; G168-Y176 WeakPolarHBondContact O-CE1 3.31Å; G168-Y176 PolarHBondContact O-N 2.99Å; Y176-I178 HydrophobicContact CD2-CD1 4.15Å; Y176-I178 HydrophobicContact CD2-CG1 3.75Å; Y176-I178 HydrophobicContact CE2-CD1 3.82Å; Y176-I178 HydrophobicContact CE2-CG1 3.93Å
177	K	90.7	Very high	86.9	Confident	127 Å²	127	70.3 Å²	70.3	55%	0.552	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	129	169	-66	-178.9	-178.7	178.5	0	108.8	F121 V122 L166	F121-K177 CarbonylContact C-O 3.55Å; F121-K177 WeakPolarHBondContact CA-O 3.37Å; V122-K177 HydrophobicContact CB-CB 4.37Å; V122-K177 PolarHBondContact N-O 2.81Å; V122-K177 PolarHBondContact O-N 2.98Å; L166-K177 CarbonylContact O-C 3.59Å; L166-K177 VanDerWaalsContact O-CA 3.31Å; L166-K177 WeakPolarHBondContact O-CA 3.49Å
178	I	92.3	Very high	86.2	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.5	175.2	-46.4	179.4	0	0	0	107	V119 E120 F121 V134 L135 V165 L166 Y176 I180	V119-I178 HydrophobicContact CG1-CG2 3.38Å; E120-I178 CarbonylContact O-C 3.57Å; E120-I178 WeakPolarHBondContact O-CA 3.36Å; F121-I178 HydrophobicContact CD1-CD1 4.47Å; F121-I178 HydrophobicContact CD1-CG1 3.97Å; F121-I178 HydrophobicContact CD1-CG2 4.34Å; F121-I178 HydrophobicContact CE1-CD1 4.03Å; F121-I178 HydrophobicContact CE1-CG1 4Å; F121-I178 HydrophobicContact CE1-CG2 4.05Å; F121-I178 HydrophobicContact CZ-CG2 4.37Å; V134-I178 HydrophobicContact CG1-CD1 3.98Å; V134-I178 HydrophobicContact CG1-CG1 4.45Å; L135-I178 HydrophobicContact CD1-CD1 3.95Å; L135-I178 HydrophobicContact CD1-CG2 3.98Å; V165-I178 CarbonylContact C-O 3.54Å; V165-I178 WeakPolarHBondContact CA-O 3.44Å; L166-I178 HydrophobicContact CB-CB 4.18Å; L166-I178 PolarHBondContact N-O 2.63Å; L166-I178 PolarHBondContact O-N 2.73Å; Y176-I178 HydrophobicContact CD2-CD1 4.15Å; Y176-I178 HydrophobicContact CD2-CG1 3.75Å; Y176-I178 HydrophobicContact CE2-CD1 3.82Å; Y176-I178 HydrophobicContact CE2-CG1 3.93Å; I178-I180 HydrophobicContact CG2-CG1 4.08Å
179	S	91.4	Very high	85.5	Confident	26 Å²	26	72.1 Å²	72.1	18%	0.182	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.3	173.8	-176.5	0	0	0	0	109	V119 E120 I163	V119-S179 WeakPolarHBondContact CA-O 3.3Å; E120-S179 PolarHBondContact N-O 2.92Å; E120-S179 PolarHBondContact O-N 3.36Å; I163-S179 VanDerWaalsContact CG2-OG 3.25Å; I163-S179 WeakPolarHBondContact CG2-OG 3.37Å
180	I	92.7	Very high	85.3	Confident	1 Å²	1	70 Å²	70	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	103.9	178.8	-55.8	176.8	0	0	0	107.7	Y117 H118 V119 L135 L142 L153 F159 I163 T164 L166 I178	Y117-I180 HydrophobicContact CD1-CG2 3.75Å; Y117-I180 HydrophobicContact CG-CG2 3.83Å; H118-I180 CarbonylContact O-C 3.5Å; H118-I180 WeakPolarHBondContact O-CA 2.84Å; V119-I180 HydrophobicContact CG1-CG1 4.31Å; V119-I180 HydrophobicContact CG2-CG1 4.39Å; L135-I180 HydrophobicContact CD1-CD1 4.31Å; L142-I180 HydrophobicContact CD2-CD1 3.91Å; L153-I180 HydrophobicContact CD2-CD1 4.4Å; L153-I180 HydrophobicContact CD2-CG2 3.98Å; F159-I180 HydrophobicContact CD2-CG2 4.4Å; F159-I180 HydrophobicContact CE2-CG2 4.18Å; I163-I180 WeakPolarHBondContact CA-O 3.24Å; T164-I180 PolarHBondContact N-O 2.87Å; T164-I180 PolarHBondContact O-N 3.09Å; L166-I180 HydrophobicContact CD1-CD1 3.72Å; L166-I180 HydrophobicContact CG-CD1 4.43Å; I178-I180 HydrophobicContact CG2-CG1 4.08Å
181	K	92.5	Very high	85.2	Confident	66 Å²	66	70.2 Å²	70.2	29%	0.287	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.9	-178.5	-57.1	-179.9	-175.8	163.7	0	110.4	Y117 H118 E120 E162 I163	Y117-K181 CarbonylContact C-O 3.56Å; Y117-K181 WeakPolarHBondContact CA-O 3.37Å; Y117-K181 WeakPolarHBondContact CB-O 3.31Å; H118-K181 HydrophobicContact CB-CB 4.48Å; H118-K181 PolarHBondContact N-O 3.25Å; H118-K181 PolarHBondContact O-N 2.89Å; E120-K181 IonicContact OE1-NZ 2.75Å; E120-K181 PolarHBondContact OE1-NZ 3.41Å; E120-K181 WeakPolarHBondContact OE2-CE 3.45Å; E120-K181 IonicContact OE2-NZ 2.77Å; E120-K181 PolarHBondContact OE2-NZ 3.33Å; E162-K181 CarbonylContact O-C 3.58Å; E162-K181 WeakPolarHBondContact O-CA 3.21Å; I163-K181 HydrophobicContact CD1-CG 4.28Å; I163-K181 HydrophobicContact CG1-CG 4.09Å; I163-K181 HydrophobicContact CG2-CG 4.28Å
182	F	92.6	Very high	85.5	Confident	57 Å²	57	65.6 Å²	65.6	25%	0.25	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.6	174.5	177.3	-97.5	0	0	0	110.5	V115 Y117 E162 F185	V115-F182 HydrophobicContact CG1-CD2 3.77Å; V115-F182 HydrophobicContact CG1-CE2 3.43Å; V115-F182 VanDerWaalsContact CG1-CE2 3.43Å; Y117-F182 HydrophobicContact CD1-CB 4.05Å; Y117-F182 HydrophobicContact CD1-CD2 4.29Å; Y117-F182 HydrophobicContact CE1-CB 3.94Å; Y117-F182 AromaticContact CE1-CD2 3.68Å; Y117-F182 HydrophobicContact CE1-CD2 3.68Å; Y117-F182 HydrophobicContact CE1-CG 4.3Å; E162-F182 HydrophobicContact CG-CB 4.36Å; E162-F182 PolarHBondContact O-N 3.46Å; F182-F185 HydrophobicContact CZ-CD2 4.28Å; F182-F185 HydrophobicContact CZ-CE2 4.05Å; F182-F185 HydrophobicContact CZ-CZ 4.47Å
183	V	90.9	Very high	85.8	Confident	80 Å²	80	59 Å²	59	49%	0.485	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-44.6	177.3	-179.4	0	0	0	0	110.5	H116 H118	H116-V183 WeakPolarHBondContact O-CB 3.45Å; H116-V183 PolarHBondContact O-N 2.75Å; H118-V183 HydrophobicContact CB-CG2 3.88Å
184	G	90.2	Very high	85.9	Confident	18 Å²	18	54.7 Å²	54.7	19%	0.186	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.4	-174	-178.5	0	0	0	0	0	114.2	H116	H116-G184 PolarHBondContact N-O 3.43Å; H116-G184 PolarHBondContact O-N 2.65Å
185	F	89.4	Confident	85.8	Confident	71 Å²	71	53.1 Å²	53.1	31%	0.311	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	140.4	168.6	-62.8	-80.2	0	0	0	109.7	R113 V115 K158 F182 S187	R113-F185 HydrophobicContact CB-CD1 4.09Å; R113-F185 VanDerWaalsContact NH2-CD2 3.33Å; R113-F185 VanDerWaalsContact NH2-CE2 3.32Å; V115-F185 HydrophobicContact CG2-CD1 4.02Å; V115-F185 HydrophobicContact CG2-CE1 3.87Å; K158-F185 HydrophobicContact CD-CE1 4.5Å; K158-F185 HydrophobicContact CD-CZ 3.91Å; K158-F185 HydrophobicContact CG-CZ 4.48Å; F182-F185 HydrophobicContact CZ-CD2 4.28Å; F182-F185 HydrophobicContact CZ-CE2 4.05Å; F182-F185 HydrophobicContact CZ-CZ 4.47Å; F185-S187 PolarHBondContact O-N 3.16Å
186	I	87.6	Confident	85.8	Confident	6 Å²	6	46.8 Å²	46.8	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.1	172.3	-51.9	-177	0	0	0	108.2	I114 H116 F154 E190 R192 F193 V196	I114-I186 HydrophobicContact CB-CB 4.34Å; I114-I186 HydrophobicContact CB-CD1 4.27Å; I114-I186 HydrophobicContact CB-CG1 4.44Å; I114-I186 HydrophobicContact CG2-CD1 3.77Å; I114-I186 HydrophobicContact CG2-CG1 4.32Å; I114-I186 PolarHBondContact O-N 2.74Å; H116-I186 HydrophobicContact CB-CD1 4.43Å; H116-I186 HydrophobicContact CB-CG1 4.08Å; F154-I186 HydrophobicContact CD1-CD1 3.55Å; F154-I186 HydrophobicContact CE1-CD1 3.56Å; I186-E190 HydrophobicContact CG2-CB 4.04Å; I186-R192 HydrophobicContact CD1-CB 4.5Å; I186-R192 HydrophobicContact CG2-CB 4.16Å; I186-F193 HydrophobicContact CG2-CB 3.74Å; I186-F193 HydrophobicContact CG2-CD2 4.33Å; I186-V196 HydrophobicContact CD1-CG2 4.12Å
187	S	81.1	Confident	85.7	Confident	60 Å²	60	46.1 Å²	46.1	42%	0.42	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-68.2	144.6	171.8	177.4	0	0	0	0	111.2	F185 A189 E190 F193	F185-S187 PolarHBondContact O-N 3.16Å; S187-A189 PolarHBondContact O-N 2.82Å; S187-A189 VanDerWaalsContact O-N 3.14Å; S187-A189 PolarHBondContact OG-N 2.83Å; S187-E190 WeakPolarHBondContact CB-OE1 3.46Å; S187-E190 PolarHBondContact N-OE1 2.64Å; S187-E190 WeakPolarHBondContact O-CB 3.02Å; S187-E190 PolarHBondContact O-N 3.3Å; S187-F193 WeakPolarHBondContact O-CB 2.96Å
188	C	73.1	Confident	85.6	Confident	64 Å²	64	41.6 Å²	41.6	43%	0.432	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-30.8	168	-80.7	0	0	0	0	113.8	E190 Q243	C188-E190 VanDerWaalsContact C-N 3.35Å; C188-Q243 PolarHBondContact O-OE1 3.1Å; C188-Q243 PolarHBondContact SG-OE1 2.85Å
189	A	70.1	Confident	85.2	Confident	84 Å²	84	45.5 Å²	45.5	69%	0.694	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-13.3	178.1	0	0	0	0	0	113.5	S187	S187-A189 PolarHBondContact O-N 2.82Å; S187-A189 VanDerWaalsContact O-N 3.14Å; S187-A189 PolarHBondContact OG-N 2.83Å
190	E	78.1	Confident	85.1	Confident	64 Å²	64	44.3 Å²	44.3	30%	0.299	24%	0.244	S	C	.	.	S	Bend	trans	-78.7	140.1	-177.5	-78.1	173.8	-116.6	0	0	111.9	I186 S187 C188 R192 F193	I186-E190 HydrophobicContact CG2-CB 4.04Å; S187-E190 WeakPolarHBondContact CB-OE1 3.46Å; S187-E190 PolarHBondContact N-OE1 2.64Å; S187-E190 WeakPolarHBondContact O-CB 3.02Å; S187-E190 PolarHBondContact O-N 3.3Å; C188-E190 VanDerWaalsContact C-N 3.35Å; E190-R192 PolarHBondContact O-N 3.08Å; E190-R192 VanDerWaalsContact O-N 3.12Å; E190-F193 WeakPolarHBondContact O-CB 3.26Å; E190-F193 PolarHBondContact O-N 3.3Å
191	P	77.3	Confident	84.8	Confident	41 Å²	41	44.7 Å²	44.7	27%	0.266	25%	0.246	S	C	.	.	H	α-helix	trans	-58.4	-30.8	175.7	-17	23.1	0	0	0	114.6	Y76 Y78 F193 L194 Q195	Y76-P191 WeakPolarHBondContact O-CB 3.3Å; Y76-P191 WeakPolarHBondContact O-CG 3.46Å; Y78-P191 HydrophobicContact CD2-CB 4.05Å; Y78-P191 HydrophobicContact CD2-CG 3.94Å; Y78-P191 HydrophobicContact CE2-CB 3.77Å; Y78-P191 HydrophobicContact CE2-CG 4.19Å; P191-F193 PolarHBondContact O-N 2.74Å; P191-L194 PolarHBondContact O-N 3.47Å; P191-Q195 PolarHBondContact O-N 3.3Å; P191-Q195 VanDerWaalsContact O-N 3.15Å
192	R	82.7	Confident	84.5	Confident	125 Å²	125	48.1 Å²	48.1	47%	0.472	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-33.1	178.2	-66.7	179.1	-178.5	174.2	2.8	111.8	I186 E190 L194 Q195 V196	I186-R192 HydrophobicContact CD1-CB 4.5Å; I186-R192 HydrophobicContact CG2-CB 4.16Å; E190-R192 PolarHBondContact O-N 3.08Å; E190-R192 VanDerWaalsContact O-N 3.12Å; R192-L194 VanDerWaalsContact C-N 3.33Å; R192-L194 PolarHBondContact O-N 3.17Å; R192-Q195 WeakPolarHBondContact O-CB 3.35Å; R192-Q195 PolarHBondContact O-N 2.86Å; R192-V196 WeakPolarHBondContact O-CG2 2.92Å; R192-V196 PolarHBondContact O-N 3.44Å
193	F	85.9	Confident	84.2	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.013	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-47.7	176.7	-175.4	-106.3	0	0	0	111.3	W112 I114 I186 S187 E190 P191 Q195 V196 L197 Q243 I248	W112-F193 HydrophobicContact CE3-CE2 4.46Å; W112-F193 HydrophobicContact CH2-CE2 4.15Å; W112-F193 HydrophobicContact CH2-CZ 4.36Å; W112-F193 AromaticContact CZ3-CE2 3.53Å; W112-F193 HydrophobicContact CZ3-CE2 3.53Å; W112-F193 AromaticContact CZ3-CZ 3.6Å; W112-F193 HydrophobicContact CZ3-CZ 3.6Å; I114-F193 HydrophobicContact CD1-CD2 3.71Å; I114-F193 HydrophobicContact CD1-CE2 3.77Å; I114-F193 HydrophobicContact CG1-CD2 4.32Å; I114-F193 HydrophobicContact CG1-CE2 4.15Å; I186-F193 HydrophobicContact CG2-CB 3.74Å; I186-F193 HydrophobicContact CG2-CD2 4.33Å; S187-F193 WeakPolarHBondContact O-CB 2.96Å; E190-F193 WeakPolarHBondContact O-CB 3.26Å; E190-F193 PolarHBondContact O-N 3.3Å; P191-F193 PolarHBondContact O-N 2.74Å; F193-Q195 PolarHBondContact O-N 3.21Å; F193-V196 PolarHBondContact O-N 3.45Å; F193-L197 HydrophobicContact CD1-CD1 3.81Å; F193-L197 HydrophobicContact CD1-CG 4.47Å; F193-L197 HydrophobicContact CE1-CD1 3.46Å; F193-L197 VanDerWaalsContact CE1-CD1 3.46Å; F193-L197 HydrophobicContact CE1-CG 4.31Å; F193-L197 HydrophobicContact CZ-CD1 4.07Å; F193-L197 WeakPolarHBondContact O-CG 3.21Å; F193-L197 PolarHBondContact O-N 3.3Å; F193-Q243 HydrophobicContact CE1-CB 4.38Å; F193-I248 HydrophobicContact CE1-CD1 4.29Å; F193-I248 HydrophobicContact CZ-CD1 3.94Å
194	L	82.1	Confident	84.1	Confident	16 Å²	16	47.1 Å²	47.1	8%	0.084	24%	0.243	C	C	.	.	H	α-helix	trans	-68.3	-34.9	178.5	-68.7	172.6	0	0	0	112	Y78 P191 R192 L197 N198 R242	Y78-L194 HydrophobicContact CE1-CD1 3.92Å; Y78-L194 HydrophobicContact CE2-CD1 3.9Å; Y78-L194 WeakPolarHBondContact OH-CD1 3.33Å; P191-L194 PolarHBondContact O-N 3.47Å; R192-L194 VanDerWaalsContact C-N 3.33Å; R192-L194 PolarHBondContact O-N 3.17Å; L194-L197 HydrophobicContact CD2-CD1 4.3Å; L194-L197 PolarHBondContact O-N 2.95Å; L194-N198 WeakPolarHBondContact O-CB 3.4Å; L194-N198 PolarHBondContact O-N 3.24Å; L194-N198 PolarHBondContact O-ND2 3.07Å; L194-R242 HydrophobicContact CD2-CB 4.08Å; L194-R242 HydrophobicContact CD2-CG 4.16Å
195	Q	82.9	Confident	84	Confident	57 Å²	57	46.4 Å²	46.4	27%	0.266	24%	0.235	S	C	.	.	H	α-helix	trans	-60.9	-46.7	172.4	-68.7	175.6	-15	0	0	111.4	D74 Y76 P191 R192 F193 N198 L199	D74-Q195 PolarHBondContact O-NE2 2.91Å; Y76-Q195 HydrophobicContact CD2-CG 3.66Å; Y76-Q195 HydrophobicContact CE2-CG 3.66Å; P191-Q195 PolarHBondContact O-N 3.3Å; P191-Q195 VanDerWaalsContact O-N 3.15Å; R192-Q195 WeakPolarHBondContact O-CB 3.35Å; R192-Q195 PolarHBondContact O-N 2.86Å; F193-Q195 PolarHBondContact O-N 3.21Å; Q195-N198 PolarHBondContact O-N 3.49Å; Q195-L199 WeakPolarHBondContact O-CG 3.32Å; Q195-L199 PolarHBondContact O-N 3.35Å
196	V	88.3	Confident	83.9	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-48.4	177.3	171.1	0	0	0	0	110.8	I114 L147 F154 I186 R192 F193 N198 L199 I200 W422	I114-V196 HydrophobicContact CD1-CB 4.11Å; I114-V196 HydrophobicContact CD1-CG1 3.59Å; I114-V196 HydrophobicContact CG2-CG1 4.3Å; L147-V196 HydrophobicContact CD1-CG1 3.99Å; F154-V196 HydrophobicContact CB-CG2 4.33Å; F154-V196 HydrophobicContact CD1-CG2 4.08Å; F154-V196 HydrophobicContact CD2-CG2 3.9Å; F154-V196 HydrophobicContact CE1-CG2 4.34Å; F154-V196 HydrophobicContact CE2-CG2 4.19Å; F154-V196 HydrophobicContact CG-CG2 3.83Å; F154-V196 HydrophobicContact CZ-CG2 4.39Å; I186-V196 HydrophobicContact CD1-CG2 4.12Å; R192-V196 WeakPolarHBondContact O-CG2 2.92Å; R192-V196 PolarHBondContact O-N 3.44Å; F193-V196 PolarHBondContact O-N 3.45Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 3.24Å; V196-L199 WeakPolarHBondContact O-CB 3.42Å; V196-L199 PolarHBondContact O-N 3.48Å; V196-I200 HydrophobicContact CG1-CD1 3.84Å; V196-I200 HydrophobicContact CG1-CG1 4.39Å; V196-I200 WeakPolarHBondContact O-CG1 3.34Å; V196-I200 PolarHBondContact O-N 2.94Å; V196-W422 HydrophobicContact CG1-CH2 4.18Å; V196-W422 HydrophobicContact CG1-CZ3 4.12Å
197	L	88.8	Confident	83.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.3	-43.4	176.2	-74.4	-180	0	0	0	112.6	W112 F193 L194 L199 I200 L201 I241 I248 M424	W112-L197 HydrophobicContact CH2-CD2 3.92Å; F193-L197 HydrophobicContact CD1-CD1 3.81Å; F193-L197 HydrophobicContact CD1-CG 4.47Å; F193-L197 HydrophobicContact CE1-CD1 3.46Å; F193-L197 VanDerWaalsContact CE1-CD1 3.46Å; F193-L197 HydrophobicContact CE1-CG 4.31Å; F193-L197 HydrophobicContact CZ-CD1 4.07Å; F193-L197 WeakPolarHBondContact O-CG 3.21Å; F193-L197 PolarHBondContact O-N 3.3Å; L194-L197 HydrophobicContact CD2-CD1 4.3Å; L194-L197 PolarHBondContact O-N 2.95Å; L197-L199 VanDerWaalsContact C-N 3.32Å; L197-L199 PolarHBondContact O-N 3.27Å; L197-I200 HydrophobicContact CD2-CD1 4.47Å; L197-I200 PolarHBondContact O-N 2.65Å; L197-L201 WeakPolarHBondContact O-CB 3.49Å; L197-L201 PolarHBondContact O-N 3.31Å; L197-I241 HydrophobicContact CB-CD1 3.97Å; L197-I241 HydrophobicContact CB-CG1 4.13Å; L197-I241 HydrophobicContact CB-CG2 4.07Å; L197-I241 HydrophobicContact CD1-CG1 4.34Å; L197-I241 HydrophobicContact CD2-CD1 4.12Å; L197-I241 HydrophobicContact CG-CD1 4.44Å; L197-I248 HydrophobicContact CD1-CD1 4.19Å; L197-I248 HydrophobicContact CD1-CG1 4.42Å; L197-I248 HydrophobicContact CD1-CG2 3.93Å; L197-I248 HydrophobicContact CD2-CD1 4.35Å; L197-M424 HydrophobicContact CD2-CE 3.66Å; L197-M424 HydrophobicContact CD2-SD 4.35Å
198	N	86.8	Confident	84.1	Confident	33 Å²	33	49.1 Å²	49.1	18%	0.176	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-36	176.1	-82.9	-71	0	0	0	112.4	L194 Q195 V196 R202 I241	L194-N198 WeakPolarHBondContact O-CB 3.4Å; L194-N198 PolarHBondContact O-N 3.24Å; L194-N198 PolarHBondContact O-ND2 3.07Å; Q195-N198 PolarHBondContact O-N 3.49Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 3.24Å; N198-R202 WeakPolarHBondContact O-CB 3.46Å; N198-R202 WeakPolarHBondContact O-CG 3.44Å; N198-R202 PolarHBondContact O-N 3.34Å; N198-I241 HydrophobicContact CB-CG2 4.4Å
199	L	84.9	Confident	84.8	Confident	81 Å²	81	50.3 Å²	50.3	42%	0.424	25%	0.247	S	C	.	.	H	α-helix	trans	-68.9	-42.7	176.2	-72.9	171.4	0	0	0	112	L147 Q195 V196 L197 R202 R203	L147-L199 HydrophobicContact CD1-CB 3.52Å; L147-L199 HydrophobicContact CD1-CD1 3.98Å; L147-L199 HydrophobicContact CD1-CG 4.42Å; L147-L199 HydrophobicContact CD2-CB 4.25Å; Q195-L199 WeakPolarHBondContact O-CG 3.32Å; Q195-L199 PolarHBondContact O-N 3.35Å; V196-L199 WeakPolarHBondContact O-CB 3.42Å; V196-L199 PolarHBondContact O-N 3.48Å; L197-L199 VanDerWaalsContact C-N 3.32Å; L197-L199 PolarHBondContact O-N 3.27Å; L199-R202 PolarHBondContact O-N 3.29Å; L199-R203 WeakPolarHBondContact O-CB 3.11Å; L199-R203 PolarHBondContact O-N 3.13Å
200	I	88.7	Confident	85.7	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-50.4	174	-63.8	164.1	0	0	0	109.5	L147 V196 L197 R202 R203 S204 V418 L419 W422 M424	L147-I200 HydrophobicContact CD1-CG1 4.18Å; V196-I200 HydrophobicContact CG1-CD1 3.84Å; V196-I200 HydrophobicContact CG1-CG1 4.39Å; V196-I200 WeakPolarHBondContact O-CG1 3.34Å; V196-I200 PolarHBondContact O-N 2.94Å; L197-I200 HydrophobicContact CD2-CD1 4.47Å; L197-I200 PolarHBondContact O-N 2.65Å; I200-R202 PolarHBondContact O-N 3Å; I200-R203 PolarHBondContact O-N 2.85Å; I200-R203 VanDerWaalsContact O-N 3.15Å; I200-S204 PolarHBondContact O-N 2.73Å; I200-V418 HydrophobicContact CG2-CG1 4.42Å; I200-L419 HydrophobicContact CG2-CD2 4.31Å; I200-W422 HydrophobicContact CD1-CD2 3.39Å; I200-W422 HydrophobicContact CD1-CE3 3.32Å; I200-W422 HydrophobicContact CD1-CG 3.93Å; I200-W422 HydrophobicContact CD1-CH2 4.19Å; I200-W422 HydrophobicContact CD1-CZ2 4.27Å; I200-W422 HydrophobicContact CD1-CZ3 3.73Å; I200-W422 HydrophobicContact CG1-CD2 3.73Å; I200-W422 HydrophobicContact CG1-CE3 4.13Å; I200-W422 HydrophobicContact CG1-CG 4.12Å; I200-W422 HydrophobicContact CG1-CH2 4.46Å; I200-W422 HydrophobicContact CG1-CZ2 4.13Å; I200-W422 HydrophobicContact CG1-CZ3 4.46Å; I200-W422 HydrophobicContact CG2-CG 4.15Å; I200-M424 HydrophobicContact CD1-SD 4.41Å; I200-M424 HydrophobicContact CG2-SD 4.38Å
201	L	87.8	Confident	85.9	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-48.5	178.7	-173.7	71.7	0	0	0	111.3	L197 R203 S204 M205 I241 L250	L197-L201 WeakPolarHBondContact O-CB 3.49Å; L197-L201 PolarHBondContact O-N 3.31Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.03Å; L201-S204 PolarHBondContact O-N 3.12Å; L201-S204 VanDerWaalsContact O-N 3.15Å; L201-M205 HydrophobicContact CD1-CE 3.5Å; L201-M205 HydrophobicContact CD1-CG 4.46Å; L201-M205 HydrophobicContact CG-CE 4.03Å; L201-M205 HydrophobicContact CG-CG 4.22Å; L201-M205 WeakPolarHBondContact O-CB 3.23Å; L201-M205 WeakPolarHBondContact O-CG 3.44Å; L201-M205 PolarHBondContact O-N 2.89Å; L201-I241 HydrophobicContact CB-CG2 4.1Å; L201-I241 HydrophobicContact CD2-CB 4.01Å; L201-I241 HydrophobicContact CD2-CG2 3.83Å; L201-L250 HydrophobicContact CD1-CD1 3.64Å; L201-L250 HydrophobicContact CD1-CD2 3.82Å; L201-L250 HydrophobicContact CD1-CG 4.36Å; L201-L250 HydrophobicContact CD2-CD1 3.53Å; L201-L250 HydrophobicContact CG-CD1 4.24Å
202	R	85	Confident	86	Confident	138 Å²	138	49.4 Å²	49.4	52%	0.521	23%	0.228	S	C	.	.	H	α-helix	trans	-58.4	-39.2	177.2	-77.7	175.3	-178.6	-172.2	3.5	112	N198 L199 I200 K206	N198-R202 WeakPolarHBondContact O-CB 3.46Å; N198-R202 WeakPolarHBondContact O-CG 3.44Å; N198-R202 PolarHBondContact O-N 3.34Å; L199-R202 PolarHBondContact O-N 3.29Å; I200-R202 PolarHBondContact O-N 3Å; R202-K206 WeakPolarHBondContact O-CG 3.06Å; R202-K206 PolarHBondContact O-N 3.18Å
203	R	86.4	Confident	85.7	Confident	116 Å²	116	43.8 Å²	43.8	44%	0.438	21%	0.208	S	C	.	.	H	α-helix	trans	-67.6	-41.5	176.8	-172.3	178.6	-179.8	171.1	-2.2	111.3	Y146 L199 I200 L201 K206 V418	Y146-R203 PolarHBondContact O-NH1 3.38Å; L199-R203 WeakPolarHBondContact O-CB 3.11Å; L199-R203 PolarHBondContact O-N 3.13Å; I200-R203 PolarHBondContact O-N 2.85Å; I200-R203 VanDerWaalsContact O-N 3.15Å; L201-R203 VanDerWaalsContact C-N 3.27Å; L201-R203 PolarHBondContact O-N 3.03Å; R203-K206 WeakPolarHBondContact O-CB 3.44Å; R203-K206 PolarHBondContact O-N 3.47Å; R203-V418 HydrophobicContact CB-CG1 4.03Å; R203-V418 HydrophobicContact CG-CG1 3.98Å; R203-V418 HydrophobicContact CG-CG2 3.99Å
204	S	89.5	Confident	85.1	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-44.9	175	-179.5	0	0	0	0	111.4	I200 L201 K206 G207 S415	I200-S204 PolarHBondContact O-N 2.73Å; L201-S204 PolarHBondContact O-N 3.12Å; L201-S204 VanDerWaalsContact O-N 3.15Å; S204-K206 PolarHBondContact O-N 2.89Å; S204-G207 PolarHBondContact O-N 2.99Å; S204-S415 WeakPolarHBondContact O-CA 3.22Å; S204-S415 VanDerWaalsContact O-CB 3.3Å; S204-S415 WeakPolarHBondContact O-CB 3.48Å; S204-S415 PolarHBondContact O-OG 2.81Å; S204-S415 PolarHBondContact OG-O 2.81Å
205	M	88.1	Confident	84.6	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.02	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-23.2	179.9	-67.4	-68.5	169.9	0	0	113.9	L201 G207 L208 L217 T239 L250 F405 L409	L201-M205 HydrophobicContact CD1-CE 3.5Å; L201-M205 HydrophobicContact CD1-CG 4.46Å; L201-M205 HydrophobicContact CG-CE 4.03Å; L201-M205 HydrophobicContact CG-CG 4.22Å; L201-M205 WeakPolarHBondContact O-CB 3.23Å; L201-M205 WeakPolarHBondContact O-CG 3.44Å; L201-M205 PolarHBondContact O-N 2.89Å; M205-G207 PolarHBondContact O-N 3.34Å; M205-L208 WeakPolarHBondContact O-CB 3.33Å; M205-L208 PolarHBondContact O-N 3.27Å; M205-L208 VanDerWaalsContact O-N 3.15Å; M205-L208 HydrophobicContact SD-CD1 4Å; M205-L217 HydrophobicContact CB-CD1 3.65Å; M205-L217 HydrophobicContact CG-CD1 3.65Å; M205-L217 HydrophobicContact SD-CD1 3.85Å; M205-T239 HydrophobicContact CE-CG2 4.11Å; M205-L250 HydrophobicContact CE-CD2 4.24Å; M205-F405 HydrophobicContact CE-CE1 4.41Å; M205-F405 HydrophobicContact CE-CZ 3.79Å; M205-F405 HydrophobicContact SD-CE2 4.43Å; M205-F405 HydrophobicContact SD-CZ 3.89Å; M205-L409 HydrophobicContact CE-CD1 4.29Å; M205-L409 HydrophobicContact CE-CD2 3.94Å; M205-L409 HydrophobicContact SD-CD1 3.98Å
206	K	86.4	Confident	84.7	Confident	164 Å²	164	54.1 Å²	54.1	71%	0.713	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-61.4	-30.2	173	-75.6	176.6	-179.1	-176.4	0	112.5	R202 R203 S204 L208 N209	R202-K206 WeakPolarHBondContact O-CG 3.06Å; R202-K206 PolarHBondContact O-N 3.18Å; R203-K206 WeakPolarHBondContact O-CB 3.44Å; R203-K206 PolarHBondContact O-N 3.47Å; S204-K206 PolarHBondContact O-N 2.89Å; K206-L208 PolarHBondContact O-N 2.78Å; K206-N209 PolarHBondContact O-N 3.23Å; K206-N209 VanDerWaalsContact O-N 3.09Å
207	G	86.4	Confident	84.7	Confident	22 Å²	22	54.9 Å²	54.9	23%	0.227	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-60.4	-31.8	175.7	0	0	0	0	0	112.7	S204 M205 N209 T412 S415	S204-G207 PolarHBondContact O-N 2.99Å; M205-G207 PolarHBondContact O-N 3.34Å; G207-N209 PolarHBondContact O-N 3.19Å; G207-T412 WeakPolarHBondContact O-CG2 3.33Å; G207-S415 WeakPolarHBondContact CA-OG 3.44Å
208	L	87.4	Confident	84.7	Confident	7 Å²	7	55.1 Å²	55.1	4%	0.037	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-70.7	-10.3	177.6	-65.2	-174.2	0	0	0	114.3	M205 K206 L210 F405 R408 L409 T412	M205-L208 WeakPolarHBondContact O-CB 3.33Å; M205-L208 PolarHBondContact O-N 3.27Å; M205-L208 VanDerWaalsContact O-N 3.15Å; M205-L208 HydrophobicContact SD-CD1 4Å; K206-L208 PolarHBondContact O-N 2.78Å; L208-L210 VanDerWaalsContact C-N 3.26Å; L208-L210 HydrophobicContact CB-CD1 4.06Å; L208-L210 HydrophobicContact CB-CG 3.82Å; L208-L210 HydrophobicContact CD1-CD1 3.9Å; L208-L210 PolarHBondContact O-N 2.69Å; L208-F405 HydrophobicContact CD1-CE2 3.76Å; L208-F405 HydrophobicContact CD1-CZ 4.37Å; L208-R408 HydrophobicContact CD2-CG 3.82Å; L208-R408 PolarHBondContact O-NH2 3.34Å; L208-L409 HydrophobicContact CD1-CB 4.45Å; L208-L409 HydrophobicContact CD1-CD1 3.72Å; L208-L409 HydrophobicContact CD2-CD1 4.2Å; L208-L409 HydrophobicContact CG-CD1 3.86Å; L208-T412 HydrophobicContact CD2-CG2 4.33Å; L208-T412 WeakPolarHBondContact CD2-OG1 3.04Å
209	N	87.9	Confident	84.8	Confident	90 Å²	90	54.1 Å²	54.1	48%	0.481	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	41.8	-176.2	-157.2	10.3	0	0	0	113.1	K206 G207 R221	K206-N209 PolarHBondContact O-N 3.23Å; K206-N209 VanDerWaalsContact O-N 3.09Å; G207-N209 PolarHBondContact O-N 3.19Å; N209-R221 PolarHBondContact ND2-NH2 2.83Å
210	L	87.9	Confident	84.7	Confident	18 Å²	18	51.5 Å²	51.5	9%	0.094	25%	0.251	C	S	.	.			trans	-90	148.1	173.7	-61.4	177.4	0	0	0	110.5	L208 L217 D219 Y237	L208-L210 VanDerWaalsContact C-N 3.26Å; L208-L210 HydrophobicContact CB-CD1 4.06Å; L208-L210 HydrophobicContact CB-CG 3.82Å; L208-L210 HydrophobicContact CD1-CD1 3.9Å; L208-L210 PolarHBondContact O-N 2.69Å; L210-L217 HydrophobicContact CB-CB 4.05Å; L210-L217 HydrophobicContact CB-CD2 4.48Å; L210-L217 HydrophobicContact CD1-CB 3.94Å; L210-L217 HydrophobicContact CD1-CD1 4.49Å; L210-D219 HydrophobicContact CD2-CB 3.64Å; L210-Y237 HydrophobicContact CD1-CD2 4.06Å; L210-Y237 HydrophobicContact CD1-CE2 4.42Å
211	E	83.3	Confident	84.4	Confident	62 Å²	62	60.9 Å²	60.9	29%	0.29	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.2	178.4	-69.5	-67.2	-175.7	0	0	111.5	V213 L217 F218 P220 N297	E211-V213 PolarHBondContact O-N 2.9Å; E211-L217 CarbonylContact O-C 3.57Å; E211-L217 WeakPolarHBondContact O-CA 3.42Å; E211-F218 PolarHBondContact N-O 2.58Å; E211-F218 PolarHBondContact O-N 2.75Å; E211-P220 HydrophobicContact CB-CG 3.99Å; E211-P220 HydrophobicContact CG-CG 3.41Å; E211-P220 VanDerWaalsContact CG-CG 3.41Å; E211-N297 HydrophobicContact CB-CB 4.37Å; E211-N297 VanDerWaalsContact CD-ND2 3.3Å; E211-N297 HydrophobicContact CG-CB 4Å; E211-N297 PolarHBondContact OE1-ND2 3.37Å
212	L	79.3	Confident	84.2	Confident	90 Å²	90	62.8 Å²	62.8	47%	0.471	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	107.2	176.4	-178.8	67.7	0	0	0	110	L217	L212-L217 HydrophobicContact CB-CD2 4.26Å; L212-L217 HydrophobicContact CD1-CD2 3.97Å
213	V	75.2	Confident	84.3	Confident	7 Å²	7	60 Å²	60	4%	0.042	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	105.8	174.6	-175.1	0	0	0	0	109.4	E211 R215 N216 F218 K257 T299	E211-V213 PolarHBondContact O-N 2.9Å; V213-R215 PolarHBondContact O-N 3.24Å; V213-N216 PolarHBondContact N-O 2.82Å; V213-N216 PolarHBondContact O-N 2.96Å; V213-F218 HydrophobicContact CB-CD2 3.62Å; V213-F218 HydrophobicContact CB-CE2 3.85Å; V213-F218 HydrophobicContact CG2-CD2 3.9Å; V213-K257 HydrophobicContact CG1-CD 4.44Å; V213-T299 HydrophobicContact CG1-CG2 3.67Å
214	G	73.3	Confident	84.4	Confident	60 Å²	60	57.1 Å²	57.1	62%	0.619	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	-108.9	-171.4	0	0	0	0	0	110.9
215	R	72.3	Confident	84.3	Confident	209 Å²	209	61.1 Å²	61.1	79%	0.789	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-5.9	177.6	-64.6	-178.3	179.5	173.9	-1.9	113.5	V213	V213-R215 PolarHBondContact O-N 3.24Å
216	N	85.6	Confident	84.2	Confident	23 Å²	23	61.6 Å²	61.6	12%	0.123	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	151.4	-170.1	-63.7	-4.6	0	0	0	110.2	V213 F218 E238	V213-N216 PolarHBondContact N-O 2.82Å; V213-N216 PolarHBondContact O-N 2.96Å; N216-F218 HydrophobicContact CB-CD2 4.41Å; N216-F218 HydrophobicContact CB-CE2 3.55Å; N216-F218 HydrophobicContact CB-CZ 3.75Å; N216-E238 PolarHBondContact ND2-OE2 3.26Å; N216-E238 WeakPolarHBondContact OD1-CG 3.4Å
217	L	87.6	Confident	84.2	Confident	19 Å²	19	63.3 Å²	63.3	10%	0.099	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.5	-178.6	-63	168.3	0	0	0	108.8	M205 L210 E211 L212 G236 Y237 T239	M205-L217 HydrophobicContact CB-CD1 3.65Å; M205-L217 HydrophobicContact CG-CD1 3.65Å; M205-L217 HydrophobicContact SD-CD1 3.85Å; L210-L217 HydrophobicContact CB-CB 4.05Å; L210-L217 HydrophobicContact CB-CD2 4.48Å; L210-L217 HydrophobicContact CD1-CB 3.94Å; L210-L217 HydrophobicContact CD1-CD1 4.49Å; E211-L217 CarbonylContact O-C 3.57Å; E211-L217 WeakPolarHBondContact O-CA 3.42Å; L212-L217 HydrophobicContact CB-CD2 4.26Å; L212-L217 HydrophobicContact CD1-CD2 3.97Å; L217-G236 CarbonylContact O-C 3.47Å; L217-G236 WeakPolarHBondContact O-CA 3.29Å; L217-Y237 PolarHBondContact N-O 2.89Å; L217-Y237 PolarHBondContact O-N 3.46Å; L217-T239 HydrophobicContact CD1-CG2 4.48Å
218	F	88.8	Confident	84.1	Confident	4 Å²	4	70.3 Å²	70.3	2%	0.018	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155.1	179.7	-64.4	-82.9	0	0	0	110.9	E211 V213 N216 P220 W234 P235 T255 K257	E211-F218 PolarHBondContact N-O 2.58Å; E211-F218 PolarHBondContact O-N 2.75Å; V213-F218 HydrophobicContact CB-CD2 3.62Å; V213-F218 HydrophobicContact CB-CE2 3.85Å; V213-F218 HydrophobicContact CG2-CD2 3.9Å; N216-F218 HydrophobicContact CB-CD2 4.41Å; N216-F218 HydrophobicContact CB-CE2 3.55Å; N216-F218 HydrophobicContact CB-CZ 3.75Å; F218-P220 WeakPolarHBondContact O-CD 3.44Å; F218-W234 HydrophobicContact CB-CB 4.34Å; F218-W234 HydrophobicContact CB-CE3 4.26Å; F218-W234 HydrophobicContact CD1-CB 4.4Å; F218-W234 WeakPolarHBondContact CD1-O 3.4Å; F218-P235 WeakPolarHBondContact CA-O 3.4Å; F218-T255 HydrophobicContact CE1-CG2 4.06Å; F218-T255 HydrophobicContact CZ-CG2 4.02Å; F218-K257 HydrophobicContact CD1-CB 3.8Å; F218-K257 HydrophobicContact CE1-CB 3.6Å; F218-K257 HydrophobicContact CE2-CB 4.29Å; F218-K257 HydrophobicContact CE2-CD 4.36Å; F218-K257 HydrophobicContact CG-CB 4.27Å; F218-K257 HydrophobicContact CZ-CB 3.85Å; F218-K257 HydrophobicContact CZ-CD 4.2Å
219	D	88.2	Confident	83.9	Confident	12 Å²	12	72.1 Å²	72.1	6%	0.064	35%	0.345	C	S	.	.			trans	-109.6	97.4	176.3	-162.5	-30.8	0	0	0	109.6	L210 R221 A222 P235 R408	L210-D219 HydrophobicContact CD2-CB 3.64Å; D219-R221 PolarHBondContact O-N 3.31Å; D219-R221 WeakPolarHBondContact OD1-CB 3.31Å; D219-R221 PolarHBondContact OD1-N 3Å; D219-R221 VanDerWaalsContact OD1-N 3.08Å; D219-A222 HydrophobicContact CB-CB 4.12Å; D219-A222 PolarHBondContact O-N 3.09Å; D219-A222 PolarHBondContact OD1-N 2.8Å; D219-P235 PolarHBondContact N-O 3.25Å; D219-R408 IonicContact OD2-CZ 2.69Å; D219-R408 IonicContact OD2-NH1 3.73Å; D219-R408 PolarHBondContact OD2-NH1 3.21Å; D219-R408 IonicContact OD2-NH2 2.72Å; D219-R408 PolarHBondContact OD2-NH2 3.16Å
220	P	83	Confident	83.8	Confident	27 Å²	27	75 Å²	75	18%	0.175	35%	0.354	C	S	.	.	S	Bend	trans	-65.9	-23.6	178.2	-14.3	25.7	0	0	0	112.8	E211 F218 A222 K223 W234	E211-P220 HydrophobicContact CB-CG 3.99Å; E211-P220 HydrophobicContact CG-CG 3.41Å; E211-P220 VanDerWaalsContact CG-CG 3.41Å; F218-P220 WeakPolarHBondContact O-CD 3.44Å; P220-A222 VanDerWaalsContact C-N 3.34Å; P220-K223 WeakPolarHBondContact O-CB 3.32Å; P220-K223 WeakPolarHBondContact O-CG 3.48Å; P220-K223 PolarHBondContact O-N 2.72Å; P220-W234 HydrophobicContact CB-CD2 4.31Å; P220-W234 HydrophobicContact CB-CE3 4.2Å; P220-W234 HydrophobicContact CB-CH2 3.87Å; P220-W234 HydrophobicContact CB-CZ2 4.01Å; P220-W234 HydrophobicContact CB-CZ3 3.99Å; P220-W234 HydrophobicContact CG-CE3 4.1Å; P220-W234 HydrophobicContact CG-CH2 4.07Å; P220-W234 HydrophobicContact CG-CZ3 3.78Å
221	R	82.7	Confident	83.8	Confident	198 Å²	198	74.6 Å²	74.6	75%	0.747	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-31.2	-179.2	-57.9	176.9	-179.7	176	-1.9	111	N209 D219 K223	N209-R221 PolarHBondContact ND2-NH2 2.83Å; D219-R221 PolarHBondContact O-N 3.31Å; D219-R221 WeakPolarHBondContact OD1-CB 3.31Å; D219-R221 PolarHBondContact OD1-N 3Å; D219-R221 VanDerWaalsContact OD1-N 3.08Å; R221-K223 VanDerWaalsContact C-N 3.29Å; R221-K223 PolarHBondContact O-N 2.84Å
222	A	84.1	Confident	84	Confident	49 Å²	49	72 Å²	72	41%	0.405	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	25	175.9	0	0	0	0	0	113.2	D219 P220 P235	D219-A222 HydrophobicContact CB-CB 4.12Å; D219-A222 PolarHBondContact O-N 3.09Å; D219-A222 PolarHBondContact OD1-N 2.8Å; P220-A222 VanDerWaalsContact C-N 3.34Å; A222-P235 HydrophobicContact CB-CG 3.84Å; A222-P235 WeakPolarHBondContact O-CD 3.3Å; A222-P235 VanDerWaalsContact O-CG 3.3Å; A222-P235 WeakPolarHBondContact O-CG 3.28Å
223	K	87	Confident	84.5	Confident	79 Å²	79	67.9 Å²	67.9	34%	0.343	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-61.9	141.2	-179.8	67.4	177.5	-167.1	164.3	0	111.9	P220 R221 E225 E232 W234	P220-K223 WeakPolarHBondContact O-CB 3.32Å; P220-K223 WeakPolarHBondContact O-CG 3.48Å; P220-K223 PolarHBondContact O-N 2.72Å; R221-K223 VanDerWaalsContact C-N 3.29Å; R221-K223 PolarHBondContact O-N 2.84Å; K223-E225 WeakPolarHBondContact CE-OE1 3.17Å; K223-E225 IonicContact NZ-OE1 3.44Å; K223-E225 PolarHBondContact NZ-OE1 2.85Å; K223-E232 WeakPolarHBondContact CD-OE2 3.46Å; K223-E232 IonicContact NZ-OE1 3.33Å; K223-E232 PolarHBondContact NZ-OE1 3.05Å; K223-E232 VanDerWaalsContact NZ-OE1 3.11Å; K223-E232 IonicContact NZ-OE2 3.49Å; K223-E232 PolarHBondContact NZ-OE2 2.9Å; K223-W234 HydrophobicContact CB-CG 4.47Å
224	I	87.8	Confident	85.2	Confident	55 Å²	55	68 Å²	68	28%	0.282	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.3	174.9	-57.3	175.8	0	0	0	108.1	E232 L233 Y390	I224-E232 CarbonylContact O-C 3.56Å; I224-E232 WeakPolarHBondContact O-CA 2.93Å; I224-L233 HydrophobicContact CB-CB 4.38Å; I224-L233 HydrophobicContact CD1-CD2 4.36Å; I224-L233 PolarHBondContact N-O 2.65Å; I224-L233 PolarHBondContact O-N 3.03Å; I224-Y390 HydrophobicContact CD1-CD1 4.14Å; I224-Y390 HydrophobicContact CG2-CD1 4.21Å; I224-Y390 HydrophobicContact CG2-CE1 4.02Å
225	E	87.7	Confident	86	Confident	85 Å²	85	66.4 Å²	66.4	40%	0.397	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.6	178.1	-62.5	-173.3	168.6	0	0	111.2	K223 R227 E232	K223-E225 WeakPolarHBondContact CE-OE1 3.17Å; K223-E225 IonicContact NZ-OE1 3.44Å; K223-E225 PolarHBondContact NZ-OE1 2.85Å; E225-R227 HydrophobicContact CB-CG 4.35Å; E225-R227 IonicContact OE2-CZ 3.67Å; E225-R227 IonicContact OE2-NE 2.7Å; E225-R227 PolarHBondContact OE2-NE 2.91Å; E225-R227 IonicContact OE2-NH2 3.59Å; E225-R227 PolarHBondContact OE2-NH2 3.28Å; E225-E232 HydrophobicContact CG-CG 4.41Å
226	I	87.6	Confident	86.9	Confident	13 Å²	13	56.4 Å²	56.4	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	79.7	171.9	-50.8	179.4	0	0	0	107.1	E228 F229 K230 M231 Y390	I226-E228 VanDerWaalsContact C-N 3.31Å; I226-E228 PolarHBondContact O-N 3.37Å; I226-F229 HydrophobicContact CG2-CB 4.47Å; I226-F229 HydrophobicContact CG2-CD2 3.73Å; I226-F229 PolarHBondContact O-N 3.22Å; I226-K230 PolarHBondContact O-N 3.47Å; I226-M231 HydrophobicContact CB-CB 4.49Å; I226-M231 PolarHBondContact N-O 3.12Å; I226-M231 PolarHBondContact O-N 3.18Å; I226-Y390 HydrophobicContact CD1-CD2 4.1Å; I226-Y390 HydrophobicContact CD1-CE2 4.22Å; I226-Y390 HydrophobicContact CG1-CE2 4.36Å
227	R	84.7	Confident	87.1	Confident	201 Å²	201	57 Å²	57	76%	0.758	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-60.4	-38.5	-171.3	-65.9	-175.8	177.3	-179.4	-0.3	113.1	E225 F229 K230	E225-R227 HydrophobicContact CB-CG 4.35Å; E225-R227 IonicContact OE2-CZ 3.67Å; E225-R227 IonicContact OE2-NE 2.7Å; E225-R227 PolarHBondContact OE2-NE 2.91Å; E225-R227 IonicContact OE2-NH2 3.59Å; E225-R227 PolarHBondContact OE2-NH2 3.28Å; R227-F229 PolarHBondContact O-N 2.9Å; R227-F229 VanDerWaalsContact O-N 3.1Å; R227-K230 PolarHBondContact O-N 3.48Å; R227-K230 VanDerWaalsContact O-N 3.12Å
228	E	85.1	Confident	87.3	Confident	168 Å²	168	58.6 Å²	58.6	79%	0.785	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-52.7	-33.4	178.2	-65	176	-174.6	0	0	113.1	I226	I226-E228 VanDerWaalsContact C-N 3.31Å; I226-E228 PolarHBondContact O-N 3.37Å
229	F	84	Confident	87.3	Confident	46 Å²	46	59.8 Å²	59.8	20%	0.202	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-116.1	12.5	-177.3	-56.8	-79.8	0	0	0	113.6	I226 R227 M231 Q382 L383 A386	I226-F229 HydrophobicContact CG2-CB 4.47Å; I226-F229 HydrophobicContact CG2-CD2 3.73Å; I226-F229 PolarHBondContact O-N 3.22Å; R227-F229 PolarHBondContact O-N 2.9Å; R227-F229 VanDerWaalsContact O-N 3.1Å; F229-M231 VanDerWaalsContact C-N 3.32Å; F229-M231 HydrophobicContact CB-CE 3.83Å; F229-M231 WeakPolarHBondContact O-CE 3.29Å; F229-M231 PolarHBondContact O-N 2.83Å; F229-Q382 HydrophobicContact CE1-CB 4.35Å; F229-Q382 HydrophobicContact CZ-CB 3.95Å; F229-L383 HydrophobicContact CB-CD1 3.73Å; F229-L383 HydrophobicContact CD1-CB 3.92Å; F229-L383 HydrophobicContact CD1-CD1 4.15Å; F229-L383 HydrophobicContact CD2-CD1 3.96Å; F229-L383 HydrophobicContact CE1-CB 3.95Å; F229-L383 HydrophobicContact CG-CB 4.28Å; F229-L383 HydrophobicContact CG-CD1 3.69Å; F229-L383 HydrophobicContact CZ-CB 4.34Å; F229-A386 HydrophobicContact CD2-CB 4.42Å; F229-A386 HydrophobicContact CE2-CB 3.87Å
230	K	85.6	Confident	87.3	Confident	151 Å²	151	61 Å²	61	66%	0.657	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	49.5	-178.3	-60.3	-176.1	178.6	-176.4	0	112.6	I226 R227 T261	I226-K230 PolarHBondContact O-N 3.47Å; R227-K230 PolarHBondContact O-N 3.48Å; R227-K230 VanDerWaalsContact O-N 3.12Å; K230-T261 WeakPolarHBondContact O-CB 3.38Å; K230-T261 PolarHBondContact O-N 2.93Å; K230-T261 PolarHBondContact O-OG1 3.28Å; K230-T261 VanDerWaalsContact O-OG1 3.11Å
231	M	86.6	Confident	87.5	Confident	8 Å²	8	59.9 Å²	59.9	4%	0.039	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153	178.4	-71.3	-177.4	-132	0	0	112.2	I226 F229 V258 M259 T261 L373 M377 L383 M387	I226-M231 HydrophobicContact CB-CB 4.49Å; I226-M231 PolarHBondContact N-O 3.12Å; I226-M231 PolarHBondContact O-N 3.18Å; F229-M231 VanDerWaalsContact C-N 3.32Å; F229-M231 HydrophobicContact CB-CE 3.83Å; F229-M231 WeakPolarHBondContact O-CE 3.29Å; F229-M231 PolarHBondContact O-N 2.83Å; M231-V258 HydrophobicContact SD-CG1 4.04Å; M231-M259 CarbonylContact C-O 3.16Å; M231-M259 WeakPolarHBondContact CA-O 3.41Å; M231-T261 PolarHBondContact N-OG1 3.01Å; M231-L373 HydrophobicContact CE-CD2 4.4Å; M231-L373 HydrophobicContact SD-CD2 3.79Å; M231-M377 HydrophobicContact CE-CE 3.03Å; M231-M377 HydrophobicContact CG-CE 4.45Å; M231-M377 HydrophobicContact SD-CE 3.62Å; M231-L383 HydrophobicContact CE-CD1 3.41Å; M231-L383 VanDerWaalsContact CE-CD1 3.41Å; M231-L383 HydrophobicContact CE-CD2 3.36Å; M231-L383 HydrophobicContact CE-CG 4.02Å; M231-L383 HydrophobicContact SD-CD1 3.78Å; M231-L383 HydrophobicContact SD-CD2 4.28Å; M231-M387 HydrophobicContact SD-CE 4.16Å
232	E	88.9	Confident	87.6	Confident	9 Å²	9	53.5 Å²	53.5	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	143.9	169	-55.5	179	-177.3	0	0	108.3	K223 I224 E225 M259 R369	K223-E232 WeakPolarHBondContact CD-OE2 3.46Å; K223-E232 IonicContact NZ-OE1 3.33Å; K223-E232 PolarHBondContact NZ-OE1 3.05Å; K223-E232 VanDerWaalsContact NZ-OE1 3.11Å; K223-E232 IonicContact NZ-OE2 3.49Å; K223-E232 PolarHBondContact NZ-OE2 2.9Å; I224-E232 CarbonylContact O-C 3.56Å; I224-E232 WeakPolarHBondContact O-CA 2.93Å; E225-E232 HydrophobicContact CG-CG 4.41Å; E232-M259 HydrophobicContact CB-CB 4.13Å; E232-M259 PolarHBondContact N-O 2.9Å; E232-M259 WeakPolarHBondContact O-CA 3.22Å; E232-M259 WeakPolarHBondContact O-CB 3.13Å; E232-M259 PolarHBondContact O-N 3.39Å; E232-M259 VanDerWaalsContact O-O 3.1Å; E232-R369 IonicContact OE1-CZ 2.7Å; E232-R369 IonicContact OE1-NH1 3.87Å; E232-R369 PolarHBondContact OE1-NH1 3.03Å; E232-R369 IonicContact OE1-NH2 3.47Å; E232-R369 IonicContact OE2-NH1 2.9Å; E232-R369 PolarHBondContact OE2-NH1 2.79Å
233	L	88.9	Confident	87.8	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.4	178.8	-175.5	159.2	0	0	0	108.2	I224 P235 H256 K257 M387 T391	I224-L233 HydrophobicContact CB-CB 4.38Å; I224-L233 HydrophobicContact CD1-CD2 4.36Å; I224-L233 PolarHBondContact N-O 2.65Å; I224-L233 PolarHBondContact O-N 3.03Å; L233-P235 WeakPolarHBondContact O-CD 3.14Å; L233-H256 HydrophobicContact CD1-CB 4.27Å; L233-H256 HydrophobicContact CD2-CB 3.72Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.25Å; L233-H256 HydrophobicContact CG-CB 3.99Å; L233-K257 WeakPolarHBondContact CA-O 3.34Å; L233-M387 HydrophobicContact CD1-CG 4.45Å; L233-T391 HydrophobicContact CD1-CG2 3.77Å
234	W	89.4	Confident	87.9	Confident	9 Å²	9	50 Å²	50	3%	0.034	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118	179.8	-64.6	7.4	0	0	0	108.8	F218 P220 K223 H256 K257 M259 L292 N297	F218-W234 HydrophobicContact CB-CB 4.34Å; F218-W234 HydrophobicContact CB-CE3 4.26Å; F218-W234 HydrophobicContact CD1-CB 4.4Å; F218-W234 WeakPolarHBondContact CD1-O 3.4Å; P220-W234 HydrophobicContact CB-CD2 4.31Å; P220-W234 HydrophobicContact CB-CE3 4.2Å; P220-W234 HydrophobicContact CB-CH2 3.87Å; P220-W234 HydrophobicContact CB-CZ2 4.01Å; P220-W234 HydrophobicContact CB-CZ3 3.99Å; P220-W234 HydrophobicContact CG-CE3 4.1Å; P220-W234 HydrophobicContact CG-CH2 4.07Å; P220-W234 HydrophobicContact CG-CZ3 3.78Å; K223-W234 HydrophobicContact CB-CG 4.47Å; W234-H256 WeakPolarHBondContact O-CA 3.36Å; W234-K257 HydrophobicContact CB-CB 4.26Å; W234-K257 PolarHBondContact N-O 3.48Å; W234-K257 PolarHBondContact O-N 3.08Å; W234-M259 HydrophobicContact CD2-CG 4.16Å; W234-M259 HydrophobicContact CG-CG 4.26Å; W234-L292 HydrophobicContact CH2-CD2 3.47Å; W234-L292 VanDerWaalsContact CH2-CD2 3.47Å; W234-L292 HydrophobicContact CZ2-CD2 4.04Å; W234-L292 HydrophobicContact CZ3-CD2 3.97Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.01Å
235	P	90.1	Very high	87.8	Confident	27 Å²	27	49.2 Å²	49.2	18%	0.175	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	148.5	171.4	31.3	-34	0	0	0	109.6	F218 D219 A222 L233	F218-P235 WeakPolarHBondContact CA-O 3.4Å; D219-P235 PolarHBondContact N-O 3.25Å; A222-P235 HydrophobicContact CB-CG 3.84Å; A222-P235 WeakPolarHBondContact O-CD 3.3Å; A222-P235 VanDerWaalsContact O-CG 3.3Å; A222-P235 WeakPolarHBondContact O-CG 3.28Å; L233-P235 WeakPolarHBondContact O-CD 3.14Å
236	G	91.2	Very high	87.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-178.2	-179.6	0	0	0	0	0	113.1	L217 T255	L217-G236 CarbonylContact O-C 3.47Å; L217-G236 WeakPolarHBondContact O-CA 3.29Å; G236-T255 CarbonylContact C-O 3.47Å; G236-T255 WeakPolarHBondContact CA-O 3.49Å; G236-T255 PolarHBondContact N-O 2.91Å; G236-T255 PolarHBondContact O-N 3.42Å
237	Y	90.8	Very high	87.5	Confident	36 Å²	36	54.2 Å²	54.2	14%	0.141	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.3	-172.9	-52.8	-79.4	0	0	0	109.1	L210 L217 T252 E253 F405	L210-Y237 HydrophobicContact CD1-CD2 4.06Å; L210-Y237 HydrophobicContact CD1-CE2 4.42Å; L217-Y237 PolarHBondContact N-O 2.89Å; L217-Y237 PolarHBondContact O-N 3.46Å; Y237-T252 HydrophobicContact CD1-CG2 3.92Å; Y237-T252 HydrophobicContact CG-CG2 4.31Å; Y237-E253 CarbonylContact C-O 3.53Å; Y237-E253 WeakPolarHBondContact CA-O 3.17Å; Y237-F405 HydrophobicContact CD1-CB 4.24Å; Y237-F405 AromaticContact CD1-CD2 3.74Å; Y237-F405 HydrophobicContact CD1-CD2 3.74Å; Y237-F405 HydrophobicContact CD1-CE2 4.21Å; Y237-F405 AromaticContact CD1-CG 3.91Å; Y237-F405 HydrophobicContact CD1-CG 3.91Å; Y237-F405 AromaticContact CD2-CD2 3.61Å; Y237-F405 HydrophobicContact CD2-CD2 3.61Å; Y237-F405 AromaticContact CD2-CE2 3.67Å; Y237-F405 HydrophobicContact CD2-CE2 3.67Å; Y237-F405 HydrophobicContact CE1-CB 3.59Å; Y237-F405 AromaticContact CE1-CD2 3.62Å; Y237-F405 HydrophobicContact CE1-CD2 3.62Å; Y237-F405 HydrophobicContact CE1-CE2 4.48Å; Y237-F405 AromaticContact CE1-CG 3.71Å; Y237-F405 HydrophobicContact CE1-CG 3.71Å; Y237-F405 AromaticContact CE2-CD2 3.48Å; Y237-F405 HydrophobicContact CE2-CD2 3.48Å; Y237-F405 VanDerWaalsContact CE2-CD2 3.48Å; Y237-F405 AromaticContact CE2-CE2 3.99Å; Y237-F405 HydrophobicContact CE2-CE2 3.99Å; Y237-F405 HydrophobicContact CE2-CG 4.4Å; Y237-F405 AromaticContact CG-CD2 3.73Å; Y237-F405 HydrophobicContact CG-CD2 3.73Å; Y237-F405 AromaticContact CG-CE2 3.79Å; Y237-F405 HydrophobicContact CG-CE2 3.79Å; Y237-F405 HydrophobicContact CG-CG 4.33Å; Y237-F405 HydrophobicContact CG-CZ 4.43Å; Y237-F405 AromaticContact CZ-CD2 3.48Å; Y237-F405 VanDerWaalsContact CZ-CD2 3.48Å; Y237-F405 AromaticContact CZ-CG 3.97Å
238	E	90.6	Very high	87.8	Confident	51 Å²	51	45.4 Å²	45.4	24%	0.238	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.7	161.1	-176.2	151.3	174.1	0	0	107.8	N216 T252 E253 N731	N216-E238 PolarHBondContact ND2-OE2 3.26Å; N216-E238 WeakPolarHBondContact OD1-CG 3.4Å; E238-T252 CarbonylContact O-C 3.48Å; E238-T252 WeakPolarHBondContact O-CA 3.49Å; E238-E253 PolarHBondContact N-O 3.2Å; E238-E253 PolarHBondContact O-N 2.87Å; E238-N731 PolarHBondContact OE1-ND2 3.11Å; E238-N731 PolarHBondContact OE1-OD1 2.9Å
239	T	89.6	Confident	88.2	Confident	30 Å²	30	37.4 Å²	37.4	18%	0.184	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141	-176.2	57.1	0	0	0	0	110	M205 L217 G251 T252	M205-T239 HydrophobicContact CE-CG2 4.11Å; L217-T239 HydrophobicContact CD1-CG2 4.48Å; T239-G251 WeakPolarHBondContact CA-O 3.3Å; T239-T252 HydrophobicContact CG2-CG2 4.24Å
240	S	87.5	Confident	88.7	Confident	38 Å²	38	35.3 Å²	35.3	27%	0.266	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	124	174.1	60.3	0	0	0	0	109.4	G251	S240-G251 PolarHBondContact N-O 2.79Å; S240-G251 PolarHBondContact O-N 2.94Å
241	I	88.4	Confident	89	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.015	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.2	171.8	-176.8	165	0	0	0	109.2	L106 L197 N198 L201 I248 L249 L250	L106-I241 HydrophobicContact CD2-CD1 3.87Å; L197-I241 HydrophobicContact CB-CD1 3.97Å; L197-I241 HydrophobicContact CB-CG1 4.13Å; L197-I241 HydrophobicContact CB-CG2 4.07Å; L197-I241 HydrophobicContact CD1-CG1 4.34Å; L197-I241 HydrophobicContact CD2-CD1 4.12Å; L197-I241 HydrophobicContact CG-CD1 4.44Å; N198-I241 HydrophobicContact CB-CG2 4.4Å; L201-I241 HydrophobicContact CB-CG2 4.1Å; L201-I241 HydrophobicContact CD2-CB 4.01Å; L201-I241 HydrophobicContact CD2-CG2 3.83Å; I241-I248 HydrophobicContact CD1-CG2 4Å; I241-I248 HydrophobicContact CG1-CG2 3.85Å; I241-L249 WeakPolarHBondContact CA-O 3.41Å; I241-L250 HydrophobicContact CB-CD1 4.39Å
242	R	84.8	Confident	89.2	Confident	63 Å²	63	27.9 Å²	27.9	24%	0.238	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.3	175.7	-66.1	-166.7	177.8	-141.3	-4.1	111.4	L194 H244 L249	L194-R242 HydrophobicContact CD2-CB 4.08Å; L194-R242 HydrophobicContact CD2-CG 4.16Å; R242-H244 PolarHBondContact O-CD2 3.47Å; R242-L249 PolarHBondContact N-O 3.01Å; R242-L249 VanDerWaalsContact N-O 3.12Å; R242-L249 PolarHBondContact O-N 3.15Å
243	Q	86.7	Confident	89.4	Confident	47 Å²	47	27.8 Å²	27.8	22%	0.22	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.5	158.4	-179.4	166.1	-1.8	0	0	108.8	C188 F193 P754	C188-Q243 PolarHBondContact O-OE1 3.1Å; C188-Q243 PolarHBondContact SG-OE1 2.85Å; F193-Q243 HydrophobicContact CE1-CB 4.38Å; Q243-P754 HydrophobicContact CG-CG 4.46Å
244	H	89.3	Confident	89.4	Confident	8 Å²	8	28.3 Å²	28.3	4%	0.037	14%	0.137	C	C	.	.			trans	-108.1	-169.9	169.4	-69.8	-96.2	0	0	0	109.8	F103 R242 K246 D247 L249 V750 I751 T752 P754	F103-H244 AromaticContact CD1-NE2 3.94Å; F103-H244 AromaticContact CE1-CE1 3.73Å; F103-H244 AromaticContact CE1-NE2 3.45Å; F103-H244 WeakPolarHBondContact CE1-NE2 3.47Å; R242-H244 PolarHBondContact O-CD2 3.47Å; H244-K246 PolarHBondContact O-N 2.84Å; H244-D247 PolarHBondContact N-O 3.24Å; H244-L249 HydrophobicContact CB-CD1 3.99Å; H244-L249 HydrophobicContact CB-CG 4.22Å; H244-V750 WeakPolarHBondContact CB-O 3.5Å; H244-I751 PolarHBondContact CE1-O 2.87Å; H244-I751 WeakPolarHBondContact ND1-CA 3.32Å; H244-I751 PolarHBondContact ND1-O 3.31Å; H244-T752 PolarHBondContact ND1-O 3.37Å; H244-P754 VanDerWaalsContact C-CG 3.45Å; H244-P754 VanDerWaalsContact O-CG 3.3Å; H244-P754 WeakPolarHBondContact O-CG 3.46Å
245	E	85.4	Confident	89.4	Confident	38 Å²	38	29.4 Å²	29.4	18%	0.178	15%	0.145	C	C	.	.	S	Bend	trans	-44.3	-41	-170.7	-62	-59.6	148.4	0	0	114.7	R82 K89 D749 T752 L753	R82-E245 IonicContact NH1-OE2 3.57Å; K89-E245 WeakPolarHBondContact CE-OE1 3.39Å; K89-E245 IonicContact NZ-OE1 3.37Å; K89-E245 PolarHBondContact NZ-OE1 3Å; E245-D749 WeakPolarHBondContact CG-OD1 3.36Å; E245-T752 WeakPolarHBondContact CG-OG1 3.08Å; E245-T752 PolarHBondContact OE1-OG1 3.18Å; E245-L753 VanDerWaalsContact OE1-C 3.3Å
246	K	83.4	Confident	89.3	Confident	158 Å²	158	30 Å²	30	69%	0.687	15%	0.145	S	C	*	.	S	Bend	trans	-127.8	-35.4	-178.1	-61.5	-176.5	-179.2	-178.5	0	113.7	H244	H244-K246 PolarHBondContact O-N 2.84Å
247	D	87.4	Confident	89.1	Confident	45 Å²	45	32.8 Å²	32.8	24%	0.241	16%	0.157	C	C	.	.	S	Bend	trans	-125.1	158.3	-167.1	-67.5	-66	0	0	0	112.2	R105 H244 L249	R105-D247 HydrophobicContact CG-CB 4.17Å; R105-D247 IonicContact CZ-OD1 3.82Å; R105-D247 IonicContact CZ-OD2 3.2Å; R105-D247 IonicContact NE-OD1 2.9Å; R105-D247 PolarHBondContact NE-OD1 3.46Å; R105-D247 IonicContact NE-OD2 3.73Å; R105-D247 PolarHBondContact NE-OD2 2.8Å; R105-D247 IonicContact NH2-OD1 3.74Å; R105-D247 PolarHBondContact NH2-OD1 2.97Å; R105-D247 IonicContact NH2-OD2 3.2Å; H244-D247 PolarHBondContact N-O 3.24Å; D247-L249 HydrophobicContact CB-CD2 3.95Å
248	I	91.2	Very high	88.8	Confident	16 Å²	16	32.1 Å²	32.1	8%	0.082	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	119.6	166.5	-58.5	169	0	0	0	107.4	L106 T108 W112 F193 L197 I241 M424	L106-I248 HydrophobicContact CB-CB 4.37Å; L106-I248 HydrophobicContact CB-CG2 4.26Å; L106-I248 PolarHBondContact N-O 3.04Å; T108-I248 HydrophobicContact CG2-CD1 4.28Å; W112-I248 HydrophobicContact CE3-CD1 4.43Å; W112-I248 HydrophobicContact CH2-CD1 4.44Å; W112-I248 HydrophobicContact CZ3-CD1 3.85Å; F193-I248 HydrophobicContact CE1-CD1 4.29Å; F193-I248 HydrophobicContact CZ-CD1 3.94Å; L197-I248 HydrophobicContact CD1-CD1 4.19Å; L197-I248 HydrophobicContact CD1-CG1 4.42Å; L197-I248 HydrophobicContact CD1-CG2 3.93Å; L197-I248 HydrophobicContact CD2-CD1 4.35Å; I241-I248 HydrophobicContact CD1-CG2 4Å; I241-I248 HydrophobicContact CG1-CG2 3.85Å; I248-M424 HydrophobicContact CD1-CE 4.22Å
249	L	93.3	Very high	88.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.9	178.7	-50.6	-179.6	0	0	0	110.8	F103 F104 R105 I241 R242 H244 D247 T431 V750 I751	F103-L249 HydrophobicContact CB-CB 4.16Å; F103-L249 HydrophobicContact CB-CD1 4.18Å; F103-L249 HydrophobicContact CD1-CB 3.65Å; F103-L249 HydrophobicContact CD1-CD1 4.17Å; F103-L249 HydrophobicContact CG-CB 4.31Å; F103-L249 HydrophobicContact CG-CD1 4.31Å; F104-L249 WeakPolarHBondContact O-CA 3.39Å; R105-L249 HydrophobicContact CB-CD2 3.94Å; R105-L249 HydrophobicContact CG-CD2 4.24Å; I241-L249 WeakPolarHBondContact CA-O 3.41Å; R242-L249 PolarHBondContact N-O 3.01Å; R242-L249 VanDerWaalsContact N-O 3.12Å; R242-L249 PolarHBondContact O-N 3.15Å; H244-L249 HydrophobicContact CB-CD1 3.99Å; H244-L249 HydrophobicContact CB-CG 4.22Å; D247-L249 HydrophobicContact CB-CD2 3.95Å; L249-T431 HydrophobicContact CD2-CG2 4.47Å; L249-V750 HydrophobicContact CD1-CG1 4.4Å; L249-V750 WeakPolarHBondContact CD1-O 3.48Å; L249-I751 HydrophobicContact CD1-CG2 3.92Å
250	L	93.1	Very high	88.3	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	101.5	167.9	173.9	59.9	0	0	0	108.9	F103 F104 L106 L201 M205 I241 L426	F103-L250 WeakPolarHBondContact CA-O 3.49Å; F104-L250 PolarHBondContact N-O 2.9Å; F104-L250 PolarHBondContact O-N 2.74Å; L106-L250 HydrophobicContact CD1-CB 3.65Å; L201-L250 HydrophobicContact CD1-CD1 3.64Å; L201-L250 HydrophobicContact CD1-CD2 3.82Å; L201-L250 HydrophobicContact CD1-CG 4.36Å; L201-L250 HydrophobicContact CD2-CD1 3.53Å; L201-L250 HydrophobicContact CG-CD1 4.24Å; M205-L250 HydrophobicContact CE-CD2 4.24Å; I241-L250 HydrophobicContact CB-CD1 4.39Å; L250-L426 HydrophobicContact CB-CD1 4.44Å; L250-L426 HydrophobicContact CD2-CD1 4.02Å; L250-L426 HydrophobicContact CD2-CD2 4.44Å
251	G	92.2	Very high	88.2	Confident	3 Å²	3	29.8 Å²	29.8	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	130.2	168.7	0	0	0	0	0	110.6	F103 T239 S240	F103-G251 VanDerWaalsContact CD1-CA 3.44Å; T239-G251 WeakPolarHBondContact CA-O 3.3Å; S240-G251 PolarHBondContact N-O 2.79Å; S240-G251 PolarHBondContact O-N 2.94Å
252	T	91.9	Very high	88.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.7	174	-53.3	0	0	0	0	110	N102 Y237 E238 T239 L402 F405	N102-T252 WeakPolarHBondContact CB-O 3.25Å; N102-T252 PolarHBondContact ND2-O 3.38Å; N102-T252 PolarHBondContact O-N 3.12Å; Y237-T252 HydrophobicContact CD1-CG2 3.92Å; Y237-T252 HydrophobicContact CG-CG2 4.31Å; E238-T252 CarbonylContact O-C 3.48Å; E238-T252 WeakPolarHBondContact O-CA 3.49Å; T239-T252 HydrophobicContact CG2-CG2 4.24Å; T252-L402 WeakPolarHBondContact O-CD2 3.28Å; T252-F405 HydrophobicContact CG2-CD1 3.77Å; T252-F405 HydrophobicContact CG2-CE1 3.63Å; T252-F405 HydrophobicContact CG2-CG 4.45Å; T252-F405 HydrophobicContact CG2-CZ 4.19Å
253	E	91.9	Very high	88.3	Confident	8 Å²	8	29.5 Å²	29.5	4%	0.037	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.2	175.1	173	64	157.5	0	0	110.8	Y237 E238 T255 R398 R733	Y237-E253 CarbonylContact C-O 3.53Å; Y237-E253 WeakPolarHBondContact CA-O 3.17Å; E238-E253 PolarHBondContact N-O 3.2Å; E238-E253 PolarHBondContact O-N 2.87Å; E253-T255 PolarHBondContact O-N 3.05Å; E253-R398 IonicContact OE1-CZ 2.78Å; E253-R398 IonicContact OE1-NH1 3.5Å; E253-R398 PolarHBondContact OE1-NH1 2.97Å; E253-R398 IonicContact OE2-CZ 3.45Å; E253-R398 IonicContact OE2-NH1 3.39Å; E253-R398 PolarHBondContact OE2-NH1 3.45Å; E253-R733 IonicContact OE1-CZ 2.97Å; E253-R733 IonicContact OE1-NE 3.69Å; E253-R733 PolarHBondContact OE1-NE 3.07Å; E253-R733 IonicContact OE1-NH2 3.88Å; E253-R733 PolarHBondContact OE1-NH2 2.83Å
254	I	89.8	Confident	88.6	Confident	12 Å²	12	27.3 Å²	27.3	6%	0.062	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.1	177.9	-48.9	175.4	0	0	0	109.5	M393 R398 R401 L402	I254-M393 HydrophobicContact CB-CE 3.7Å; I254-M393 HydrophobicContact CD1-CE 3.69Å; I254-M393 HydrophobicContact CD1-SD 3.94Å; I254-M393 HydrophobicContact CG1-CE 4.3Å; I254-M393 HydrophobicContact CG2-CE 3.65Å; I254-M393 HydrophobicContact CG2-SD 4.43Å; I254-R398 HydrophobicContact CD1-CG 3.92Å; I254-R398 HydrophobicContact CG1-CG 4.49Å; I254-R401 HydrophobicContact CD1-CB 3.38Å; I254-R401 HydrophobicContact CD1-CG 4.19Å; I254-L402 HydrophobicContact CD1-CD1 3.76Å; I254-L402 HydrophobicContact CG1-CD1 3.67Å
255	T	89.2	Confident	88.7	Confident	32 Å²	32	29.7 Å²	29.7	20%	0.196	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153	179.8	-63.8	0	0	0	0	110	F218 G236 E253	F218-T255 HydrophobicContact CE1-CG2 4.06Å; F218-T255 HydrophobicContact CZ-CG2 4.02Å; G236-T255 CarbonylContact C-O 3.47Å; G236-T255 WeakPolarHBondContact CA-O 3.49Å; G236-T255 PolarHBondContact N-O 2.91Å; G236-T255 PolarHBondContact O-N 3.42Å; E253-T255 PolarHBondContact O-N 3.05Å
256	H	87.5	Confident	88.8	Confident	41 Å²	41	31 Å²	31	19%	0.19	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.1	177.3	-55.8	98.7	0	0	0	109.4	L233 W234 T391	L233-H256 HydrophobicContact CD1-CB 4.27Å; L233-H256 HydrophobicContact CD2-CB 3.72Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.25Å; L233-H256 HydrophobicContact CG-CB 3.99Å; W234-H256 WeakPolarHBondContact O-CA 3.36Å; H256-T391 HydrophobicContact CB-CG2 4.15Å
257	K	86.1	Confident	89	Confident	57 Å²	57	24 Å²	24	25%	0.248	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.2	170.8	-164.1	75.8	174.9	-171.4	0	108.8	V213 F218 L233 W234 M259	V213-K257 HydrophobicContact CG1-CD 4.44Å; F218-K257 HydrophobicContact CD1-CB 3.8Å; F218-K257 HydrophobicContact CE1-CB 3.6Å; F218-K257 HydrophobicContact CE2-CB 4.29Å; F218-K257 HydrophobicContact CE2-CD 4.36Å; F218-K257 HydrophobicContact CG-CB 4.27Å; F218-K257 HydrophobicContact CZ-CB 3.85Å; F218-K257 HydrophobicContact CZ-CD 4.2Å; L233-K257 WeakPolarHBondContact CA-O 3.34Å; W234-K257 HydrophobicContact CB-CB 4.26Å; W234-K257 PolarHBondContact N-O 3.48Å; W234-K257 PolarHBondContact O-N 3.08Å; K257-M259 HydrophobicContact CG-SD 4.01Å
258	V	86.5	Confident	89	Confident	22 Å²	22	22.4 Å²	22.4	13%	0.133	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	123.6	173.2	-178.2	0	0	0	0	108.8	M231 G372 L373 M387	M231-V258 HydrophobicContact SD-CG1 4.04Å; V258-G372 PolarHBondContact O-N 3.45Å; V258-L373 HydrophobicContact CG1-CD2 3.93Å; V258-L373 HydrophobicContact CG1-CG 4.3Å; V258-M387 HydrophobicContact CB-CE 4.35Å; V258-M387 HydrophobicContact CG1-CE 3.7Å; V258-M387 HydrophobicContact CG2-CE 3.66Å; V258-M387 HydrophobicContact CG2-SD 3.71Å
259	M	82.6	Confident	88.7	Confident	3 Å²	3	30 Å²	30	2%	0.015	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.1	178.5	-64.5	-56.3	-54.6	0	0	108.6	M231 E232 W234 K257 L292 R369 T371	M231-M259 CarbonylContact C-O 3.16Å; M231-M259 WeakPolarHBondContact CA-O 3.41Å; E232-M259 HydrophobicContact CB-CB 4.13Å; E232-M259 PolarHBondContact N-O 2.9Å; E232-M259 WeakPolarHBondContact O-CA 3.22Å; E232-M259 WeakPolarHBondContact O-CB 3.13Å; E232-M259 PolarHBondContact O-N 3.39Å; E232-M259 VanDerWaalsContact O-O 3.1Å; W234-M259 HydrophobicContact CD2-CG 4.16Å; W234-M259 HydrophobicContact CG-CG 4.26Å; K257-M259 HydrophobicContact CG-SD 4.01Å; M259-L292 HydrophobicContact CE-CB 3.55Å; M259-L292 HydrophobicContact CE-CD2 3.3Å; M259-L292 HydrophobicContact CE-CG 4.04Å; M259-L292 HydrophobicContact SD-CD2 4.09Å; M259-R369 HydrophobicContact CE-CB 4.31Å; M259-T371 HydrophobicContact CE-CG2 3.77Å; M259-T371 HydrophobicContact SD-CG2 3.69Å
260	R	86.3	Confident	88.2	Confident	18 Å²	18	36.9 Å²	36.9	7%	0.068	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.5	168.7	-55.8	-171.5	-160.7	170.8	10.3	108.1	E262 V370 G372 M377	R260-E262 HydrophobicContact CB-CB 4.47Å; R260-E262 PolarHBondContact O-N 3.31Å; R260-V370 HydrophobicContact CB-CB 4.47Å; R260-V370 WeakPolarHBondContact CB-O 3.41Å; R260-V370 HydrophobicContact CG-CB 4.47Å; R260-V370 WeakPolarHBondContact CG-O 3.36Å; R260-V370 PolarHBondContact N-O 3.15Å; R260-G372 PolarHBondContact NE-O 3.49Å; R260-G372 PolarHBondContact NH2-O 3.45Å; R260-M377 HydrophobicContact CG-CE 4.05Å
261	T	84.5	Confident	87.4	Confident	50 Å²	50	37.4 Å²	37.4	31%	0.307	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-26.3	171.9	-50.2	0	0	0	0	110.5	K230 M231 R369	K230-T261 WeakPolarHBondContact O-CB 3.38Å; K230-T261 PolarHBondContact O-N 2.93Å; K230-T261 PolarHBondContact O-OG1 3.28Å; K230-T261 VanDerWaalsContact O-OG1 3.11Å; M231-T261 PolarHBondContact N-OG1 3.01Å; T261-R369 PolarHBondContact O-NE 2.98Å
262	E	86.5	Confident	86.2	Confident	40 Å²	40	40.1 Å²	40.1	19%	0.187	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.1	176.6	-168.9	-178.9	-170.3	0	0	112.8	R260 D266 I267 R270	R260-E262 HydrophobicContact CB-CB 4.47Å; R260-E262 PolarHBondContact O-N 3.31Å; E262-D266 HydrophobicContact CG-CB 3.45Å; E262-D266 VanDerWaalsContact CG-CB 3.45Å; E262-D266 WeakPolarHBondContact OE1-CB 3.33Å; E262-I267 HydrophobicContact CG-CG1 4.27Å; E262-I267 WeakPolarHBondContact OE1-CG1 3.34Å; E262-I267 PolarHBondContact OE1-N 3.37Å; E262-R270 IonicContact OE1-CZ 2.68Å; E262-R270 IonicContact OE1-NE 3.11Å; E262-R270 PolarHBondContact OE1-NE 2.93Å; E262-R270 IonicContact OE1-NH2 3.24Å; E262-R270 PolarHBondContact OE1-NH2 2.8Å; E262-R270 IonicContact OE2-CZ 3.43Å; E262-R270 IonicContact OE2-NH2 2.87Å; E262-R270 PolarHBondContact OE2-NH2 2.94Å
263	T	90.3	Very high	84.9	Confident	20 Å²	20	48.1 Å²	48.1	12%	0.123	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	163.6	177.3	66.4	0	0	0	0	111.7	Y265 D266 I267 C368 R369	T263-Y265 PolarHBondContact O-N 3.33Å; T263-Y265 WeakPolarHBondContact OG1-CB 3.45Å; T263-Y265 PolarHBondContact OG1-N 2.9Å; T263-D266 PolarHBondContact N-OD2 3.22Å; T263-D266 PolarHBondContact O-N 3.5Å; T263-D266 PolarHBondContact OG1-N 3.15Å; T263-D266 PolarHBondContact OG1-OD2 3.15Å; T263-I267 PolarHBondContact O-N 3.43Å; T263-C368 CarbonylContact C-O 3.33Å; T263-C368 VanDerWaalsContact CA-O 3.29Å; T263-C368 WeakPolarHBondContact CA-O 3.44Å; T263-R369 HydrophobicContact CG2-CG 4.47Å
264	I	91.5	Very high	83.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-36	170.2	-67.5	-66.9	0	0	0	110.7	D266 I267 M268 V286 L289 V291 I302 L344 P365 C368 V370	I264-D266 VanDerWaalsContact C-N 3.3Å; I264-D266 PolarHBondContact O-N 3.17Å; I264-I267 HydrophobicContact CD1-CD1 4.36Å; I264-I267 WeakPolarHBondContact O-CB 3.36Å; I264-I267 PolarHBondContact O-N 2.93Å; I264-I267 VanDerWaalsContact O-N 3.14Å; I264-M268 HydrophobicContact CG2-CG 4.05Å; I264-M268 HydrophobicContact CG2-SD 3.78Å; I264-M268 VanDerWaalsContact O-CG 3.28Å; I264-M268 WeakPolarHBondContact O-CG 3.49Å; I264-M268 PolarHBondContact O-N 2.77Å; I264-V286 HydrophobicContact CD1-CG1 4.08Å; I264-V286 HydrophobicContact CG2-CG1 3.95Å; I264-V286 HydrophobicContact CG2-CG2 4.21Å; I264-L289 HydrophobicContact CD1-CD1 4.17Å; I264-V291 HydrophobicContact CD1-CG1 3.63Å; I264-V291 HydrophobicContact CG1-CG1 3.48Å; I264-V291 VanDerWaalsContact CG1-CG1 3.48Å; I264-I302 HydrophobicContact CD1-CD1 3.85Å; I264-I302 HydrophobicContact CG1-CD1 4.08Å; I264-L344 HydrophobicContact CB-CD1 4.15Å; I264-L344 HydrophobicContact CG1-CD1 4.06Å; I264-L344 HydrophobicContact CG2-CD1 3.95Å; I264-L344 HydrophobicContact CG2-CD2 3.94Å; I264-P365 HydrophobicContact CB-CB 4.21Å; I264-P365 HydrophobicContact CG2-CB 4.04Å; I264-C368 HydrophobicContact CB-CB 4.47Å; I264-C368 HydrophobicContact CG1-CB 4.06Å; I264-C368 PolarHBondContact N-O 2.86Å; I264-V370 HydrophobicContact CD1-CG2 3.33Å; I264-V370 HydrophobicContact CG1-CG2 4.12Å
265	Y	91.5	Very high	82.7	Confident	58 Å²	58	56.4 Å²	56.4	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-55.9	-44.5	176.1	-179.4	-100.8	0	0	0	112.4	T263 I267 M268 R269 D338 Q341 P365	T263-Y265 PolarHBondContact O-N 3.33Å; T263-Y265 WeakPolarHBondContact OG1-CB 3.45Å; T263-Y265 PolarHBondContact OG1-N 2.9Å; Y265-I267 VanDerWaalsContact C-N 3.34Å; Y265-I267 PolarHBondContact O-N 2.95Å; Y265-M268 PolarHBondContact O-N 3.03Å; Y265-R269 PolarHBondContact O-N 2.83Å; Y265-D338 HydrophobicContact CE2-CB 3.85Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.42Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.23Å; Y265-D338 PolarHBondContact OH-OD2 2.87Å; Y265-Q341 HydrophobicContact CD2-CB 4.01Å; Y265-Q341 HydrophobicContact CE2-CB 3.96Å; Y265-P365 PolarHBondContact N-O 3.34Å
266	D	89.1	Confident	81.8	Confident	65 Å²	65	59.2 Å²	59.2	35%	0.348	30%	0.304	S	S	.	.	H	α-helix	trans	-63.5	-39.5	177.2	-59.5	-49.3	0	0	0	112.2	E262 T263 I264 R269 R270	E262-D266 HydrophobicContact CG-CB 3.45Å; E262-D266 VanDerWaalsContact CG-CB 3.45Å; E262-D266 WeakPolarHBondContact OE1-CB 3.33Å; T263-D266 PolarHBondContact N-OD2 3.22Å; T263-D266 PolarHBondContact O-N 3.5Å; T263-D266 PolarHBondContact OG1-N 3.15Å; T263-D266 PolarHBondContact OG1-OD2 3.15Å; I264-D266 VanDerWaalsContact C-N 3.3Å; I264-D266 PolarHBondContact O-N 3.17Å; D266-R269 PolarHBondContact O-N 2.87Å; D266-R270 WeakPolarHBondContact O-CG 3.15Å; D266-R270 PolarHBondContact O-N 2.78Å; D266-R270 VanDerWaalsContact O-N 3.13Å
267	I	87.1	Confident	81.2	Confident	12 Å²	12	65.1 Å²	65.1	6%	0.062	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-46.2	176.1	-63.8	174	0	0	0	110.2	E262 T263 I264 Y265 R269 R270 C271 V286 V370	E262-I267 HydrophobicContact CG-CG1 4.27Å; E262-I267 WeakPolarHBondContact OE1-CG1 3.34Å; E262-I267 PolarHBondContact OE1-N 3.37Å; T263-I267 PolarHBondContact O-N 3.43Å; I264-I267 HydrophobicContact CD1-CD1 4.36Å; I264-I267 WeakPolarHBondContact O-CB 3.36Å; I264-I267 PolarHBondContact O-N 2.93Å; I264-I267 VanDerWaalsContact O-N 3.14Å; Y265-I267 VanDerWaalsContact C-N 3.34Å; Y265-I267 PolarHBondContact O-N 2.95Å; I267-R269 VanDerWaalsContact C-N 3.3Å; I267-R269 PolarHBondContact O-N 3Å; I267-R270 PolarHBondContact O-N 3.32Å; I267-R270 VanDerWaalsContact O-N 3.09Å; I267-C271 PolarHBondContact O-N 3.44Å; I267-C271 VanDerWaalsContact O-N 3.16Å; I267-C271 PolarHBondContact O-SG 2.92Å; I267-V286 HydrophobicContact CG2-CG2 4.25Å; I267-V370 HydrophobicContact CD1-CG2 3.51Å
268	M	87.3	Confident	80.8	Confident	11 Å²	11	64.9 Å²	64.9	5%	0.054	32%	0.324	C	S	.	.	H	α-helix	trans	-59.5	-42.7	178.5	-68.6	174.1	117.3	0	0	111.4	I264 Y265 R270 C271 H278 V282 V286 V305 P342 L344 P365	I264-M268 HydrophobicContact CG2-CG 4.05Å; I264-M268 HydrophobicContact CG2-SD 3.78Å; I264-M268 VanDerWaalsContact O-CG 3.28Å; I264-M268 WeakPolarHBondContact O-CG 3.49Å; I264-M268 PolarHBondContact O-N 2.77Å; Y265-M268 PolarHBondContact O-N 3.03Å; M268-R270 VanDerWaalsContact C-N 3.28Å; M268-R270 PolarHBondContact O-N 3.23Å; M268-C271 PolarHBondContact O-N 3.42Å; M268-H278 PolarHBondContact O-CE1 3.39Å; M268-V282 HydrophobicContact CB-CG2 4.41Å; M268-V282 HydrophobicContact CE-CG1 3.41Å; M268-V282 VanDerWaalsContact CE-CG1 3.41Å; M268-V282 HydrophobicContact CG-CG1 3.89Å; M268-V282 HydrophobicContact CG-CG2 4.41Å; M268-V286 HydrophobicContact CG-CG2 4.39Å; M268-V305 HydrophobicContact CE-CG1 3.53Å; M268-P342 HydrophobicContact CE-CB 4.34Å; M268-P342 HydrophobicContact CE-CG 3.26Å; M268-P342 HydrophobicContact SD-CG 3.96Å; M268-L344 HydrophobicContact CE-CD2 4.42Å; M268-P365 HydrophobicContact SD-CB 3.86Å; M268-P365 HydrophobicContact SD-CG 3.83Å
269	R	85.5	Confident	80.5	Confident	177 Å²	177	68.3 Å²	68.3	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-64.8	-29.2	176.7	-165.3	179	-179.1	-169.3	1.8	113	Y265 D266 I267 S272	Y265-R269 PolarHBondContact O-N 2.83Å; D266-R269 PolarHBondContact O-N 2.87Å; I267-R269 VanDerWaalsContact C-N 3.3Å; I267-R269 PolarHBondContact O-N 3Å; R269-S272 PolarHBondContact O-N 3.18Å; R269-S272 PolarHBondContact O-OG 3.02Å
270	R	82.1	Confident	80.4	Confident	143 Å²	143	72.9 Å²	72.9	54%	0.54	36%	0.363	S	S	.	.	H	α-helix	trans	-73.4	-33.1	173.8	-72	-172.2	-68.3	154.3	3.4	112.6	E262 D266 I267 M268 S272 H273	E262-R270 IonicContact OE1-CZ 2.68Å; E262-R270 IonicContact OE1-NE 3.11Å; E262-R270 PolarHBondContact OE1-NE 2.93Å; E262-R270 IonicContact OE1-NH2 3.24Å; E262-R270 PolarHBondContact OE1-NH2 2.8Å; E262-R270 IonicContact OE2-CZ 3.43Å; E262-R270 IonicContact OE2-NH2 2.87Å; E262-R270 PolarHBondContact OE2-NH2 2.94Å; D266-R270 WeakPolarHBondContact O-CG 3.15Å; D266-R270 PolarHBondContact O-N 2.78Å; D266-R270 VanDerWaalsContact O-N 3.13Å; I267-R270 PolarHBondContact O-N 3.32Å; I267-R270 VanDerWaalsContact O-N 3.09Å; M268-R270 VanDerWaalsContact C-N 3.28Å; M268-R270 PolarHBondContact O-N 3.23Å; R270-S272 PolarHBondContact O-N 3.46Å; R270-H273 PolarHBondContact O-CE1 2.92Å; R270-H273 PolarHBondContact O-ND1 2.69Å
271	C	76.4	Confident	80.1	Confident	13 Å²	13	75.4 Å²	75.4	9%	0.088	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-74.4	4.3	175.4	-61.9	0	0	0	0	113.8	I267 M268 H273 H278 E281 V282	I267-C271 PolarHBondContact O-N 3.44Å; I267-C271 VanDerWaalsContact O-N 3.16Å; I267-C271 PolarHBondContact O-SG 2.92Å; M268-C271 PolarHBondContact O-N 3.42Å; C271-H273 PolarHBondContact O-N 3.08Å; C271-H278 PolarHBondContact O-ND1 2.83Å; C271-E281 HydrophobicContact CB-CB 4.4Å; C271-V282 HydrophobicContact CB-CG2 3.71Å
272	S	66.4	Low	80.1	Confident	60 Å²	60	73 Å²	73	42%	0.42	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-91.3	17.5	-173.7	78.5	0	0	0	0	115.5	R269 R270 H278	R269-S272 PolarHBondContact O-N 3.18Å; R269-S272 PolarHBondContact O-OG 3.02Å; R270-S272 PolarHBondContact O-N 3.46Å; S272-H278 VanDerWaalsContact CA-ND1 3.34Å; S272-H278 WeakPolarHBondContact CA-ND1 3.42Å
273	H	65.7	Low	80	Confident	168 Å²	168	74.4 Å²	74.4	78%	0.778	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-77.2	-19.7	-176.4	-72	78.2	0	0	0	113.6	R270 C271	R270-H273 PolarHBondContact O-CE1 2.92Å; R270-H273 PolarHBondContact O-ND1 2.69Å; C271-H273 PolarHBondContact O-N 3.08Å
274	N	69.1	Low	79.5	Confident	74 Å²	74	79.1 Å²	79.1	40%	0.396	39%	0.393	S	S	.	.			trans	-128.5	107.9	175.2	-170.8	-15.7	0	0	0	111.4	A276 R277 H278	N274-A276 VanDerWaalsContact C-N 3.27Å; N274-A276 PolarHBondContact O-N 3.22Å; N274-A276 PolarHBondContact OD1-N 3.23Å; N274-R277 PolarHBondContact O-N 2.92Å; N274-H278 WeakPolarHBondContact O-CB 3.47Å; N274-H278 PolarHBondContact O-N 2.64Å
275	P	66.2	Low	79.1	Confident	120 Å²	120	83.2 Å²	83.2	78%	0.779	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.5	-176	-23.7	32.5	0	0	0	114.2	R277	P275-R277 PolarHBondContact O-N 2.72Å
276	A	70.3	Confident	78.8	Confident	91 Å²	91	80.4 Å²	80.4	75%	0.752	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.6	-175.1	0	0	0	0	0	113.8	N274	N274-A276 VanDerWaalsContact C-N 3.27Å; N274-A276 PolarHBondContact O-N 3.22Å; N274-A276 PolarHBondContact OD1-N 3.23Å
277	R	74.1	Confident	78.7	Confident	165 Å²	165	80 Å²	80	62%	0.623	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	4.4	179.3	-73.7	-171.7	172.4	179.9	-0.9	113.6	N274 P275 Q279 D280 E281	N274-R277 PolarHBondContact O-N 2.92Å; P275-R277 PolarHBondContact O-N 2.72Å; R277-Q279 PolarHBondContact O-N 3.03Å; R277-D280 PolarHBondContact O-N 3.1Å; R277-E281 HydrophobicContact CB-CG 4.38Å; R277-E281 PolarHBondContact O-N 3.4Å
278	H	77.3	Confident	78.4	Confident	52 Å²	52	82.3 Å²	82.3	24%	0.241	41%	0.414	C	S	.	.	H	α-helix	trans	-55.8	-48.5	-171.7	179.1	52.8	0	0	0	113	M268 C271 S272 N274 D280 E281 V282	M268-H278 PolarHBondContact O-CE1 3.39Å; C271-H278 PolarHBondContact O-ND1 2.83Å; S272-H278 VanDerWaalsContact CA-ND1 3.34Å; S272-H278 WeakPolarHBondContact CA-ND1 3.42Å; N274-H278 WeakPolarHBondContact O-CB 3.47Å; N274-H278 PolarHBondContact O-N 2.64Å; H278-D280 PolarHBondContact O-N 3.1Å; H278-E281 PolarHBondContact O-N 3.24Å; H278-V282 WeakPolarHBondContact O-CB 3.21Å; H278-V282 VanDerWaalsContact O-CG2 3.22Å; H278-V282 WeakPolarHBondContact O-CG2 3.34Å; H278-V282 PolarHBondContact O-N 2.84Å
279	Q	80.6	Confident	78.2	Confident	94 Å²	94	83.8 Å²	83.8	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-65.3	-39.5	-178.2	-63.2	-171.6	3.2	0	0	112.4	R277 R283 F307	R277-Q279 PolarHBondContact O-N 3.03Å; Q279-R283 WeakPolarHBondContact O-CB 3.49Å; Q279-R283 WeakPolarHBondContact O-CG 3.45Å; Q279-R283 PolarHBondContact O-N 2.86Å; Q279-F307 HydrophobicContact CB-CE1 4.36Å; Q279-F307 HydrophobicContact CB-CE2 4.07Å; Q279-F307 HydrophobicContact CB-CZ 3.96Å; Q279-F307 HydrophobicContact CG-CD1 4.06Å; Q279-F307 HydrophobicContact CG-CD2 4.32Å; Q279-F307 HydrophobicContact CG-CE1 3.99Å; Q279-F307 HydrophobicContact CG-CE2 4.25Å; Q279-F307 HydrophobicContact CG-CG 4.22Å; Q279-F307 HydrophobicContact CG-CZ 4.07Å
280	D	79.8	Confident	78.3	Confident	99 Å²	99	79.1 Å²	79.1	53%	0.529	41%	0.409	S	S	.	.	H	α-helix	trans	-70.3	-43.2	179.7	-68.3	-24.9	0	0	0	111.3	R277 H278 V282 R283 V284	R277-D280 PolarHBondContact O-N 3.1Å; H278-D280 PolarHBondContact O-N 3.1Å; D280-V282 PolarHBondContact O-N 3.17Å; D280-R283 PolarHBondContact O-N 3.19Å; D280-V284 WeakPolarHBondContact O-CB 3.3Å; D280-V284 VanDerWaalsContact O-CG2 3.26Å; D280-V284 WeakPolarHBondContact O-CG2 3.46Å; D280-V284 PolarHBondContact O-N 3.48Å
281	E	81.4	Confident	78.6	Confident	72 Å²	72	72.3 Å²	72.3	34%	0.336	38%	0.384	S	S	.	.	H	α-helix	trans	-62.6	-42.2	175.4	-75.4	-176.1	-164.5	0	0	111.9	C271 R277 H278 V284 N285	C271-E281 HydrophobicContact CB-CB 4.4Å; R277-E281 HydrophobicContact CB-CG 4.38Å; R277-E281 PolarHBondContact O-N 3.4Å; H278-E281 PolarHBondContact O-N 3.24Å; E281-V284 PolarHBondContact O-N 3.28Å; E281-N285 WeakPolarHBondContact O-CB 3.41Å; E281-N285 PolarHBondContact O-N 3.48Å; E281-N285 PolarHBondContact O-ND2 2.89Å
282	V	83.9	Confident	79.1	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-61	-48.4	174.8	165.8	0	0	0	0	110.7	M268 C271 H278 D280 V284 N285 V286 F307	M268-V282 HydrophobicContact CB-CG2 4.41Å; M268-V282 HydrophobicContact CE-CG1 3.41Å; M268-V282 VanDerWaalsContact CE-CG1 3.41Å; M268-V282 HydrophobicContact CG-CG1 3.89Å; M268-V282 HydrophobicContact CG-CG2 4.41Å; C271-V282 HydrophobicContact CB-CG2 3.71Å; H278-V282 WeakPolarHBondContact O-CB 3.21Å; H278-V282 VanDerWaalsContact O-CG2 3.22Å; H278-V282 WeakPolarHBondContact O-CG2 3.34Å; H278-V282 PolarHBondContact O-N 2.84Å; D280-V282 PolarHBondContact O-N 3.17Å; V282-V284 VanDerWaalsContact C-N 3.35Å; V282-V284 PolarHBondContact O-N 3.03Å; V282-N285 PolarHBondContact O-N 3.23Å; V282-V286 HydrophobicContact CG1-CG2 4.21Å; V282-V286 VanDerWaalsContact O-CB 3.24Å; V282-V286 WeakPolarHBondContact O-CB 3.38Å; V282-V286 VanDerWaalsContact O-CG2 3.32Å; V282-V286 WeakPolarHBondContact O-CG2 3.3Å; V282-V286 PolarHBondContact O-N 3.4Å; V282-F307 HydrophobicContact CB-CZ 4.16Å; V282-F307 HydrophobicContact CG1-CE1 4.34Å; V282-F307 HydrophobicContact CG1-CZ 3.85Å
283	R	83.9	Confident	80.2	Confident	69 Å²	69	68.8 Å²	68.8	26%	0.26	36%	0.359	S	S	.	.	H	α-helix	trans	-59	-45.6	177.4	-76.8	-179	-179.1	110.1	1.8	111.3	Q279 D280 N285 V286 L287 F307	Q279-R283 WeakPolarHBondContact O-CB 3.49Å; Q279-R283 WeakPolarHBondContact O-CG 3.45Å; Q279-R283 PolarHBondContact O-N 2.86Å; D280-R283 PolarHBondContact O-N 3.19Å; R283-N285 VanDerWaalsContact C-N 3.29Å; R283-N285 PolarHBondContact O-N 2.95Å; R283-V286 PolarHBondContact O-N 2.9Å; R283-L287 HydrophobicContact CB-CD1 3.86Å; R283-L287 HydrophobicContact CB-CG 4.2Å; R283-L287 HydrophobicContact CG-CD1 4.29Å; R283-L287 WeakPolarHBondContact O-CB 3.49Å; R283-L287 WeakPolarHBondContact O-CG 3.31Å; R283-L287 PolarHBondContact O-N 3.21Å; R283-F307 HydrophobicContact CG-CE2 4.25Å; R283-F307 VanDerWaalsContact NH2-CD2 3.32Å
284	V	81	Confident	80.8	Confident	119 Å²	119	64.1 Å²	64.1	72%	0.721	34%	0.34	S	S	*	.	H	α-helix	trans	-60.5	-38.5	178.9	170.1	0	0	0	0	112.1	D280 E281 V282	D280-V284 WeakPolarHBondContact O-CB 3.3Å; D280-V284 VanDerWaalsContact O-CG2 3.26Å; D280-V284 WeakPolarHBondContact O-CG2 3.46Å; D280-V284 PolarHBondContact O-N 3.48Å; E281-V284 PolarHBondContact O-N 3.28Å; V282-V284 VanDerWaalsContact C-N 3.35Å; V282-V284 PolarHBondContact O-N 3.03Å
285	N	81.9	Confident	81.5	Confident	85 Å²	85	62.5 Å²	62.5	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-83.8	-28.1	-177.2	-76.6	-73.3	0	0	0	114.1	E281 V282 R283 L289	E281-N285 WeakPolarHBondContact O-CB 3.41Å; E281-N285 PolarHBondContact O-N 3.48Å; E281-N285 PolarHBondContact O-ND2 2.89Å; V282-N285 PolarHBondContact O-N 3.23Å; R283-N285 VanDerWaalsContact C-N 3.29Å; R283-N285 PolarHBondContact O-N 2.95Å; N285-L289 VanDerWaalsContact O-CD1 3.3Å; N285-L289 WeakPolarHBondContact O-CD1 3.27Å
286	V	86.2	Confident	82.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-103.1	-33.7	-170	175.1	0	0	0	0	113.2	I264 I267 M268 V282 R283 L289 I302 V305 L344	I264-V286 HydrophobicContact CD1-CG1 4.08Å; I264-V286 HydrophobicContact CG2-CG1 3.95Å; I264-V286 HydrophobicContact CG2-CG2 4.21Å; I267-V286 HydrophobicContact CG2-CG2 4.25Å; M268-V286 HydrophobicContact CG-CG2 4.39Å; V282-V286 HydrophobicContact CG1-CG2 4.21Å; V282-V286 VanDerWaalsContact O-CB 3.24Å; V282-V286 WeakPolarHBondContact O-CB 3.38Å; V282-V286 VanDerWaalsContact O-CG2 3.32Å; V282-V286 WeakPolarHBondContact O-CG2 3.3Å; V282-V286 PolarHBondContact O-N 3.4Å; R283-V286 PolarHBondContact O-N 2.9Å; V286-L289 VanDerWaalsContact O-CB 3.31Å; V286-L289 WeakPolarHBondContact O-CB 3.49Å; V286-L289 WeakPolarHBondContact O-CG 3.13Å; V286-L289 PolarHBondContact O-N 2.82Å; V286-I302 HydrophobicContact CG1-CD1 3.41Å; V286-I302 VanDerWaalsContact CG1-CD1 3.41Å; V286-I302 HydrophobicContact CG1-CG2 4.15Å; V286-V305 HydrophobicContact CG1-CG2 4.14Å; V286-L344 HydrophobicContact CG1-CD2 4.17Å
287	L	85.8	Confident	82.6	Confident	56 Å²	56	55.3 Å²	55.3	29%	0.293	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	145.2	-178.6	-65.3	-179.7	0	0	0	111.3	R283 L289 I302 D304 V305	R283-L287 HydrophobicContact CB-CD1 3.86Å; R283-L287 HydrophobicContact CB-CG 4.2Å; R283-L287 HydrophobicContact CG-CD1 4.29Å; R283-L287 WeakPolarHBondContact O-CB 3.49Å; R283-L287 WeakPolarHBondContact O-CG 3.31Å; R283-L287 PolarHBondContact O-N 3.21Å; L287-L289 PolarHBondContact O-N 3.23Å; L287-L289 VanDerWaalsContact O-N 3.13Å; L287-I302 HydrophobicContact CD2-CG2 4.18Å; L287-D304 VanDerWaalsContact CD2-CA 3.45Å; L287-V305 HydrophobicContact CD2-CG2 4.31Å
288	D	80.6	Confident	82.9	Confident	61 Å²	61	54.9 Å²	54.9	33%	0.326	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	-2.1	-174.1	-70.9	-32.3	0	0	0	116.6	R301 I302 R622	D288-R301 IonicContact OD1-CZ 3.25Å; D288-R301 VanDerWaalsContact OD1-CZ 3.22Å; D288-R301 IonicContact OD1-NE 2.79Å; D288-R301 PolarHBondContact OD1-NE 2.72Å; D288-R301 IonicContact OD1-NH2 2.76Å; D288-R301 PolarHBondContact OD1-NH2 2.75Å; D288-R301 IonicContact OD2-NH2 3.72Å; D288-R301 PolarHBondContact OD2-NH2 3.45Å; D288-I302 PolarHBondContact N-O 3.4Å; D288-R622 IonicContact OD2-NH1 2.8Å; D288-R622 PolarHBondContact OD2-NH1 3.05Å
289	L	84.8	Confident	83.2	Confident	42 Å²	42	54.8 Å²	54.8	22%	0.22	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-65.9	144.3	169.7	-64.6	-174.1	0	0	0	110.5	I264 N285 V286 L287 I302 V370	I264-L289 HydrophobicContact CD1-CD1 4.17Å; N285-L289 VanDerWaalsContact O-CD1 3.3Å; N285-L289 WeakPolarHBondContact O-CD1 3.27Å; V286-L289 VanDerWaalsContact O-CB 3.31Å; V286-L289 WeakPolarHBondContact O-CB 3.49Å; V286-L289 WeakPolarHBondContact O-CG 3.13Å; V286-L289 PolarHBondContact O-N 2.82Å; L287-L289 PolarHBondContact O-N 3.23Å; L287-L289 VanDerWaalsContact O-N 3.13Å; L289-I302 PolarHBondContact O-N 2.84Å; L289-V370 HydrophobicContact CD1-CG1 4.11Å; L289-V370 HydrophobicContact CD1-CG2 4.12Å
290	I	85.8	Confident	83.5	Confident	78 Å²	78	52.1 Å²	52.1	40%	0.4	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.4	169.9	-60	174.4	0	0	0	107.3	T299 Y300 T371	I290-T299 HydrophobicContact CG2-CG2 4.27Å; I290-Y300 CarbonylContact C-O 3.2Å; I290-Y300 WeakPolarHBondContact CA-O 3.28Å; I290-T371 WeakPolarHBondContact O-CB 3.46Å; I290-T371 PolarHBondContact O-N 3.5Å; I290-T371 PolarHBondContact O-OG1 3.18Å
291	V	88.9	Confident	83.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	151.2	176.3	-66.5	0	0	0	0	111.1	I264 T299 Y300 I302 L363 C368 R369 V370	I264-V291 HydrophobicContact CD1-CG1 3.63Å; I264-V291 HydrophobicContact CG1-CG1 3.48Å; I264-V291 VanDerWaalsContact CG1-CG1 3.48Å; V291-T299 CarbonylContact O-C 3.59Å; V291-T299 WeakPolarHBondContact O-CA 3.41Å; V291-Y300 PolarHBondContact N-O 2.95Å; V291-Y300 PolarHBondContact O-N 2.7Å; V291-I302 HydrophobicContact CG1-CD1 3.63Å; V291-I302 HydrophobicContact CG1-CG1 4.21Å; V291-I302 HydrophobicContact CG2-CD1 4.34Å; V291-I302 HydrophobicContact CG2-CG1 4.11Å; V291-L363 HydrophobicContact CG2-CD1 4.26Å; V291-C368 HydrophobicContact CB-CB 3.99Å; V291-C368 HydrophobicContact CG1-CB 4.21Å; V291-C368 HydrophobicContact CG2-CB 4.17Å; V291-R369 CarbonylContact C-O 3.59Å; V291-R369 WeakPolarHBondContact CA-O 3.32Å; V291-V370 HydrophobicContact CG1-CG2 4.47Å
292	L	87.3	Confident	84.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.1	168	-175	78.9	0	0	0	108.6	W234 M259 N297 R298 T299 C368 R369 T371	W234-L292 HydrophobicContact CH2-CD2 3.47Å; W234-L292 VanDerWaalsContact CH2-CD2 3.47Å; W234-L292 HydrophobicContact CZ2-CD2 4.04Å; W234-L292 HydrophobicContact CZ3-CD2 3.97Å; M259-L292 HydrophobicContact CE-CB 3.55Å; M259-L292 HydrophobicContact CE-CD2 3.3Å; M259-L292 HydrophobicContact CE-CG 4.04Å; M259-L292 HydrophobicContact SD-CD2 4.09Å; L292-N297 VanDerWaalsContact CD1-C 3.47Å; L292-N297 WeakPolarHBondContact CD1-O 3.45Å; L292-R298 WeakPolarHBondContact CA-O 3.43Å; L292-T299 HydrophobicContact CB-CG2 4.36Å; L292-T299 HydrophobicContact CD1-CG2 3.59Å; L292-C368 WeakPolarHBondContact O-CA 3.43Å; L292-R369 PolarHBondContact N-O 2.95Å; L292-R369 PolarHBondContact O-N 2.75Å; L292-T371 HydrophobicContact CB-CG2 3.91Å
293	T	88.8	Confident	84.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	115.6	170	43.3	0	0	0	0	110.3	Y295 N296 N297 R298 Y300 L363 L367	T293-Y295 VanDerWaalsContact CB-CE1 3.43Å; T293-Y295 VanDerWaalsContact CB-CZ 3.45Å; T293-Y295 HydrophobicContact CG2-CE1 3.68Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.41Å; T293-Y295 PolarHBondContact O-N 2.93Å; T293-Y295 VanDerWaalsContact O-N 3.16Å; T293-N296 PolarHBondContact O-N 3.45Å; T293-N296 PolarHBondContact O-OD1 3.35Å; T293-N296 PolarHBondContact OG1-OD1 3.29Å; T293-N297 WeakPolarHBondContact O-CA 3.45Å; T293-N297 PolarHBondContact O-N 2.93Å; T293-R298 PolarHBondContact N-O 2.92Å; T293-R298 PolarHBondContact OG1-O 2.89Å; T293-R298 VanDerWaalsContact OG1-O 3.07Å; T293-Y300 HydrophobicContact CG2-CD2 4.25Å; T293-Y300 HydrophobicContact CG2-CE2 4.22Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.46Å; T293-L363 HydrophobicContact CG2-CD2 4.27Å; T293-L367 WeakPolarHBondContact CA-O 3.23Å
294	D	79.5	Confident	84.7	Confident	70 Å²	70	52.1 Å²	52.1	37%	0.374	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.7	-170.7	-68	-23.8	0	0	0	113.4	N296 R369	D294-N296 VanDerWaalsContact C-N 3.33Å; D294-N296 PolarHBondContact O-N 2.84Å; D294-R369 WeakPolarHBondContact OD1-CD 3.29Å; D294-R369 VanDerWaalsContact OD2-CD 3.24Å; D294-R369 WeakPolarHBondContact OD2-CD 3.3Å; D294-R369 IonicContact OD2-CZ 2.94Å; D294-R369 IonicContact OD2-NE 3.56Å; D294-R369 PolarHBondContact OD2-NE 3.44Å
295	Y	83.4	Confident	85.2	Confident	40 Å²	40	46.5 Å²	46.5	16%	0.157	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.4	-177.2	57.9	-100.7	0	0	0	114.7	T293 Y328 Y332 I334 L367	T293-Y295 VanDerWaalsContact CB-CE1 3.43Å; T293-Y295 VanDerWaalsContact CB-CZ 3.45Å; T293-Y295 HydrophobicContact CG2-CE1 3.68Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.41Å; T293-Y295 PolarHBondContact O-N 2.93Å; T293-Y295 VanDerWaalsContact O-N 3.16Å; Y295-Y328 HydrophobicContact CD1-CE1 4.24Å; Y295-Y328 HydrophobicContact CD2-CE1 4.45Å; Y295-Y328 HydrophobicContact CE1-CD1 4.29Å; Y295-Y328 AromaticContact CE1-CE1 3.6Å; Y295-Y328 HydrophobicContact CE1-CE1 3.6Å; Y295-Y328 AromaticContact CE2-CE1 3.84Å; Y295-Y328 HydrophobicContact CE2-CE1 3.84Å; Y295-Y328 AromaticContact CZ-CE1 3.39Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.29Å; Y295-Y328 PolarHBondContact OH-OH 3.41Å; Y295-Y328 VanDerWaalsContact OH-OH 3.07Å; Y295-Y332 AromaticContact CD2-CD1 3.84Å; Y295-Y332 HydrophobicContact CD2-CD1 3.84Å; Y295-Y332 AromaticContact CD2-CD2 3.88Å; Y295-Y332 HydrophobicContact CD2-CD2 3.88Å; Y295-Y332 AromaticContact CD2-CE1 3.66Å; Y295-Y332 HydrophobicContact CD2-CE1 3.66Å; Y295-Y332 AromaticContact CD2-CE2 3.67Å; Y295-Y332 HydrophobicContact CD2-CE2 3.67Å; Y295-Y332 AromaticContact CD2-CG 3.95Å; Y295-Y332 HydrophobicContact CD2-CG 3.95Å; Y295-Y332 AromaticContact CD2-CZ 3.55Å; Y295-Y332 HydrophobicContact CE2-CD2 4.34Å; Y295-Y332 HydrophobicContact CE2-CE1 4.34Å; Y295-Y332 AromaticContact CE2-CE2 3.79Å; Y295-Y332 HydrophobicContact CE2-CE2 3.79Å; Y295-Y332 AromaticContact CE2-CZ 3.78Å; Y295-Y332 HydrophobicContact CG-CD1 4.36Å; Y295-Y332 HydrophobicContact CG-CD2 4.37Å; Y295-Y332 HydrophobicContact CG-CG 4.25Å; Y295-I334 HydrophobicContact CD1-CD1 4.3Å; Y295-I334 HydrophobicContact CG-CD1 4.19Å; Y295-L367 HydrophobicContact CD1-CB 4.15Å; Y295-L367 HydrophobicContact CD1-CD1 4.24Å; Y295-L367 HydrophobicContact CE1-CB 3.88Å; Y295-L367 HydrophobicContact CE1-CD1 4.12Å
296	N	82.3	Confident	85.7	Confident	32 Å²	32	44.4 Å²	44.4	17%	0.171	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.5	5.5	179.1	69.6	5.6	0	0	0	113.9	T293 D294 R298 Y332	T293-N296 PolarHBondContact O-N 3.45Å; T293-N296 PolarHBondContact O-OD1 3.35Å; T293-N296 PolarHBondContact OG1-OD1 3.29Å; D294-N296 VanDerWaalsContact C-N 3.33Å; D294-N296 PolarHBondContact O-N 2.84Å; N296-R298 HydrophobicContact CB-CG 4.41Å; N296-R298 PolarHBondContact O-N 3.24Å; N296-R298 VanDerWaalsContact O-N 3.08Å; N296-R298 VanDerWaalsContact OD1-CB 3.32Å; N296-R298 WeakPolarHBondContact OD1-CB 3.34Å; N296-R298 PolarHBondContact OD1-N 3.47Å; N296-Y332 HydrophobicContact CB-CE1 4.41Å
297	N	76.8	Confident	85.8	Confident	28 Å²	28	46.7 Å²	46.7	15%	0.15	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	29.8	-178.7	-61.2	-43.7	0	0	0	114.4	E211 W234 L292 T293	E211-N297 HydrophobicContact CB-CB 4.37Å; E211-N297 VanDerWaalsContact CD-ND2 3.3Å; E211-N297 HydrophobicContact CG-CB 4Å; E211-N297 PolarHBondContact OE1-ND2 3.37Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.01Å; L292-N297 VanDerWaalsContact CD1-C 3.47Å; L292-N297 WeakPolarHBondContact CD1-O 3.45Å; T293-N297 WeakPolarHBondContact O-CA 3.45Å; T293-N297 PolarHBondContact O-N 2.93Å
298	R	81.7	Confident	86	Confident	155 Å²	155	47.4 Å²	47.4	59%	0.585	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	142.5	177.3	-66	-172.4	179.8	-171.8	-0.9	111.7	L292 T293 N296 Y300	L292-R298 WeakPolarHBondContact CA-O 3.43Å; T293-R298 PolarHBondContact N-O 2.92Å; T293-R298 PolarHBondContact OG1-O 2.89Å; T293-R298 VanDerWaalsContact OG1-O 3.07Å; N296-R298 HydrophobicContact CB-CG 4.41Å; N296-R298 PolarHBondContact O-N 3.24Å; N296-R298 VanDerWaalsContact O-N 3.08Å; N296-R298 VanDerWaalsContact OD1-CB 3.32Å; N296-R298 WeakPolarHBondContact OD1-CB 3.34Å; N296-R298 PolarHBondContact OD1-N 3.47Å; R298-Y300 HydrophobicContact CB-CD2 4.43Å; R298-Y300 HydrophobicContact CB-CE2 3.55Å; R298-Y300 WeakPolarHBondContact CD-OH 3.32Å
299	T	83.1	Confident	86.6	Confident	51 Å²	51	47.6 Å²	47.6	31%	0.313	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139.6	175.2	55.8	0	0	0	0	112.4	V213 I290 V291 L292 T371	V213-T299 HydrophobicContact CG1-CG2 3.67Å; I290-T299 HydrophobicContact CG2-CG2 4.27Å; V291-T299 CarbonylContact O-C 3.59Å; V291-T299 WeakPolarHBondContact O-CA 3.41Å; L292-T299 HydrophobicContact CB-CG2 4.36Å; L292-T299 HydrophobicContact CD1-CG2 3.59Å; T299-T371 HydrophobicContact CG2-CG2 4.48Å
300	Y	86.8	Confident	87	Confident	38 Å²	38	47.5 Å²	47.5	15%	0.149	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.8	178.8	-60.4	-88.1	0	0	0	109.7	I290 V291 T293 R298 V361 L363	I290-Y300 CarbonylContact C-O 3.2Å; I290-Y300 WeakPolarHBondContact CA-O 3.28Å; V291-Y300 PolarHBondContact N-O 2.95Å; V291-Y300 PolarHBondContact O-N 2.7Å; T293-Y300 HydrophobicContact CG2-CD2 4.25Å; T293-Y300 HydrophobicContact CG2-CE2 4.22Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.46Å; R298-Y300 HydrophobicContact CB-CD2 4.43Å; R298-Y300 HydrophobicContact CB-CE2 3.55Å; R298-Y300 WeakPolarHBondContact CD-OH 3.32Å; Y300-V361 HydrophobicContact CD1-CG1 4.19Å; Y300-V361 HydrophobicContact CE1-CB 4.37Å; Y300-V361 HydrophobicContact CE1-CG1 3.81Å; Y300-V361 HydrophobicContact CE1-CG2 4.3Å; Y300-L363 HydrophobicContact CD1-CD1 4.3Å; Y300-L363 HydrophobicContact CD2-CD1 3.69Å; Y300-L363 HydrophobicContact CD2-CD2 4.2Å; Y300-L363 HydrophobicContact CE2-CD1 4.46Å; Y300-L363 HydrophobicContact CE2-CD2 4.16Å; Y300-L363 HydrophobicContact CG-CD1 3.59Å
301	R	87.4	Confident	87.5	Confident	129 Å²	129	43.8 Å²	43.8	49%	0.487	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.8	170.7	-179.6	177.4	176.1	171.9	0.8	108	D288 N303 S346	D288-R301 IonicContact OD1-CZ 3.25Å; D288-R301 VanDerWaalsContact OD1-CZ 3.22Å; D288-R301 IonicContact OD1-NE 2.79Å; D288-R301 PolarHBondContact OD1-NE 2.72Å; D288-R301 IonicContact OD1-NH2 2.76Å; D288-R301 PolarHBondContact OD1-NH2 2.75Å; D288-R301 IonicContact OD2-NH2 3.72Å; D288-R301 PolarHBondContact OD2-NH2 3.45Å; R301-N303 PolarHBondContact O-N 3.04Å; R301-N303 PolarHBondContact O-OD1 2.84Å; R301-S346 WeakPolarHBondContact O-CB 3.45Å; R301-S346 PolarHBondContact O-OG 3.46Å
302	I	89.4	Confident	87.7	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.252	C	S	.	.			trans	-74.8	121.5	178	-54.1	172.7	0	0	0	108.4	I264 V286 L287 D288 L289 V291 D304 V305 L344	I264-I302 HydrophobicContact CD1-CD1 3.85Å; I264-I302 HydrophobicContact CG1-CD1 4.08Å; V286-I302 HydrophobicContact CG1-CD1 3.41Å; V286-I302 VanDerWaalsContact CG1-CD1 3.41Å; V286-I302 HydrophobicContact CG1-CG2 4.15Å; L287-I302 HydrophobicContact CD2-CG2 4.18Å; D288-I302 PolarHBondContact N-O 3.4Å; L289-I302 PolarHBondContact O-N 2.84Å; V291-I302 HydrophobicContact CG1-CD1 3.63Å; V291-I302 HydrophobicContact CG1-CG1 4.21Å; V291-I302 HydrophobicContact CG2-CD1 4.34Å; V291-I302 HydrophobicContact CG2-CG1 4.11Å; I302-D304 WeakPolarHBondContact CG2-O 3.43Å; I302-V305 HydrophobicContact CG2-CG2 4.35Å; I302-L344 HydrophobicContact CD1-CD1 3.82Å; I302-L344 HydrophobicContact CD1-CD2 4.25Å; I302-L344 HydrophobicContact CD1-CG 4.49Å; I302-L344 HydrophobicContact CG1-CD1 4.39Å; I302-L344 HydrophobicContact CG2-CB 4.44Å; I302-L344 HydrophobicContact CG2-CD2 4.41Å
303	N	88.1	Confident	88	Confident	46 Å²	46	51.8 Å²	51.8	25%	0.246	26%	0.262	C	S	.	.			trans	-104.2	-29.4	178.6	-65.4	111.6	0	0	0	112.5	R301 I345 K347	R301-N303 PolarHBondContact O-N 3.04Å; R301-N303 PolarHBondContact O-OD1 2.84Å; N303-I345 PolarHBondContact N-O 3.17Å; N303-K347 HydrophobicContact CB-CG 4.45Å; N303-K347 PolarHBondContact OD1-N 3.37Å; N303-K347 PolarHBondContact OD1-O 2.96Å
304	D	89.8	Confident	88.1	Confident	64 Å²	64	56 Å²	56	34%	0.342	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	166.8	175.2	-145.6	-19.3	0	0	0	111	L287 I302 I345	L287-D304 VanDerWaalsContact CD2-CA 3.45Å; I302-D304 WeakPolarHBondContact CG2-O 3.43Å; D304-I345 HydrophobicContact CB-CB 4Å; D304-I345 HydrophobicContact CB-CD1 4.35Å; D304-I345 PolarHBondContact N-O 2.96Å; D304-I345 VanDerWaalsContact N-O 3.14Å; D304-I345 PolarHBondContact O-N 3.36Å
305	V	91.1	Very high	88.6	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.1	170.7	-178	0	0	0	0	108	M268 V286 L287 I302 F307 P342 L343 L344	M268-V305 HydrophobicContact CE-CG1 3.53Å; V286-V305 HydrophobicContact CG1-CG2 4.14Å; L287-V305 HydrophobicContact CD2-CG2 4.31Å; I302-V305 HydrophobicContact CG2-CG2 4.35Å; V305-F307 HydrophobicContact CB-CE2 3.9Å; V305-F307 HydrophobicContact CB-CZ 4.25Å; V305-F307 HydrophobicContact CG1-CD2 4.15Å; V305-F307 HydrophobicContact CG1-CE1 4.19Å; V305-F307 HydrophobicContact CG1-CE2 3.68Å; V305-F307 HydrophobicContact CG1-CZ 3.71Å; V305-F307 WeakPolarHBondContact O-CD2 3.41Å; V305-P342 HydrophobicContact CG1-CB 4.08Å; V305-P342 HydrophobicContact CG1-CG 4.26Å; V305-L343 WeakPolarHBondContact CA-O 3.43Å; V305-L344 HydrophobicContact CG1-CD2 4.4Å; V305-L344 HydrophobicContact CG2-CD2 3.94Å
306	D	91.6	Very high	88.8	Confident	40 Å²	40	57.5 Å²	57.5	21%	0.214	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	111.3	177.8	-167.9	-17.6	0	0	0	109.9	G308 Q309 P342 L343 I345	D306-G308 WeakPolarHBondContact OD1-CA 3.42Å; D306-G308 PolarHBondContact OD1-N 2.89Å; D306-Q309 PolarHBondContact OD1-N 3.03Å; D306-Q309 WeakPolarHBondContact OD2-CG 3.17Å; D306-Q309 PolarHBondContact OD2-NE2 2.71Å; D306-P342 WeakPolarHBondContact O-CA 3.48Å; D306-P342 VanDerWaalsContact O-CB 3.24Å; D306-P342 WeakPolarHBondContact O-CB 3.37Å; D306-L343 PolarHBondContact N-O 3.24Å; D306-L343 PolarHBondContact O-N 3.47Å; D306-I345 HydrophobicContact CB-CD1 3.81Å; D306-I345 HydrophobicContact CB-CG1 4.23Å
307	F	89.2	Confident	88.6	Confident	49 Å²	49	58.1 Å²	58.1	22%	0.215	31%	0.309	C	S	.	.	S	Bend	trans	-90.7	-9	177.3	-62.9	-92.3	0	0	0	112.9	Q279 V282 R283 V305 P342	Q279-F307 HydrophobicContact CB-CE1 4.36Å; Q279-F307 HydrophobicContact CB-CE2 4.07Å; Q279-F307 HydrophobicContact CB-CZ 3.96Å; Q279-F307 HydrophobicContact CG-CD1 4.06Å; Q279-F307 HydrophobicContact CG-CD2 4.32Å; Q279-F307 HydrophobicContact CG-CE1 3.99Å; Q279-F307 HydrophobicContact CG-CE2 4.25Å; Q279-F307 HydrophobicContact CG-CG 4.22Å; Q279-F307 HydrophobicContact CG-CZ 4.07Å; V282-F307 HydrophobicContact CB-CZ 4.16Å; V282-F307 HydrophobicContact CG1-CE1 4.34Å; V282-F307 HydrophobicContact CG1-CZ 3.85Å; R283-F307 HydrophobicContact CG-CE2 4.25Å; R283-F307 VanDerWaalsContact NH2-CD2 3.32Å; V305-F307 HydrophobicContact CB-CE2 3.9Å; V305-F307 HydrophobicContact CB-CZ 4.25Å; V305-F307 HydrophobicContact CG1-CD2 4.15Å; V305-F307 HydrophobicContact CG1-CE1 4.19Å; V305-F307 HydrophobicContact CG1-CE2 3.68Å; V305-F307 HydrophobicContact CG1-CZ 3.71Å; V305-F307 WeakPolarHBondContact O-CD2 3.41Å; F307-P342 HydrophobicContact CD1-CB 3.85Å; F307-P342 HydrophobicContact CD1-CG 4.15Å; F307-P342 HydrophobicContact CE1-CB 4.33Å; F307-P342 HydrophobicContact CE1-CG 4.22Å; F307-P342 HydrophobicContact CG-CB 4.29Å
308	G	89.7	Confident	88.5	Confident	71 Å²	71	66.9 Å²	66.9	73%	0.732	35%	0.346	S	S	*	.	S	Bend	trans	-86.5	-20	177.9	0	0	0	0	0	113.2	D306	D306-G308 WeakPolarHBondContact OD1-CA 3.42Å; D306-G308 PolarHBondContact OD1-N 2.89Å
309	Q	92.3	Very high	88.4	Confident	65 Å²	65	62.9 Å²	62.9	30%	0.304	35%	0.353	S	S	.	.			trans	-105.9	154	176.1	-66.4	-173.3	64.2	0	0	112.4	D306 L343	D306-Q309 PolarHBondContact OD1-N 3.03Å; D306-Q309 WeakPolarHBondContact OD2-CG 3.17Å; D306-Q309 PolarHBondContact OD2-NE2 2.71Å; Q309-L343 HydrophobicContact CB-CD1 3.41Å; Q309-L343 VanDerWaalsContact CB-CD1 3.41Å; Q309-L343 HydrophobicContact CB-CG 4.12Å
310	T	94.3	Very high	88.5	Confident	40 Å²	40	70.1 Å²	70.1	25%	0.245	37%	0.374	C	S	.	.			trans	-133.3	169.5	-178.2	63.9	0	0	0	0	110.4	K312 S313 H339	T310-K312 PolarHBondContact O-N 3.01Å; T310-K312 PolarHBondContact OG1-N 2.91Å; T310-S313 PolarHBondContact N-OG 3.19Å; T310-S313 VanDerWaalsContact N-OG 3.07Å; T310-S313 WeakPolarHBondContact O-CB 3.41Å; T310-S313 PolarHBondContact O-N 3.28Å; T310-S313 PolarHBondContact O-OG 2.94Å; T310-H339 WeakPolarHBondContact CB-O 3.49Å
311	P	95.3	Very high	88.6	Confident	0 Å²	0	74 Å²	74	0%	0	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-22.8	171.4	-29.5	33.2	0	0	0	115	S313 F324 V325 I336 Q341 I364	P311-S313 VanDerWaalsContact C-N 3.32Å; P311-F324 WeakPolarHBondContact O-CB 3.38Å; P311-F324 PolarHBondContact O-N 3.25Å; P311-V325 HydrophobicContact CB-CG2 3.86Å; P311-V325 WeakPolarHBondContact O-CG2 3.48Å; P311-V325 PolarHBondContact O-N 3.15Å; P311-I336 HydrophobicContact CB-CD1 4.05Å; P311-I336 HydrophobicContact CB-CG2 4.09Å; P311-I336 HydrophobicContact CG-CG2 4.03Å; P311-Q341 WeakPolarHBondContact CD-O 3.46Å; P311-Q341 HydrophobicContact CG-CG 3.65Å; P311-I364 HydrophobicContact CB-CD1 4.14Å; P311-I364 HydrophobicContact CG-CD1 3.99Å
312	K	94	Very high	88.9	Confident	135 Å²	135	69.5 Å²	69.5	59%	0.587	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.4	175.7	-68.7	177.1	172.3	172.7	0	113.4	T310 H339	T310-K312 PolarHBondContact O-N 3.01Å; T310-K312 PolarHBondContact OG1-N 2.91Å; K312-H339 HydrophobicContact CD-CB 4.35Å; K312-H339 HydrophobicContact CG-CB 4.37Å
313	S	93.6	Very high	89.1	Confident	32 Å²	32	70 Å²	70	22%	0.224	39%	0.386	C	S	.	.			trans	-62.8	152.3	174.6	-57.8	0	0	0	0	111	T310 P311 S323 F324	T310-S313 PolarHBondContact N-OG 3.19Å; T310-S313 VanDerWaalsContact N-OG 3.07Å; T310-S313 WeakPolarHBondContact O-CB 3.41Å; T310-S313 PolarHBondContact O-N 3.28Å; T310-S313 PolarHBondContact O-OG 2.94Å; P311-S313 VanDerWaalsContact C-N 3.32Å; S313-S323 WeakPolarHBondContact O-CA 3.4Å; S313-F324 VanDerWaalsContact O-CD2 3.22Å; S313-F324 WeakPolarHBondContact O-CD2 3.43Å; S313-F324 PolarHBondContact O-N 3.41Å
314	T	91.6	Very high	89.4	Confident	90 Å²	90	68.1 Å²	68.1	55%	0.552	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	155.3	-176.9	54.9	0	0	0	0	112	I322	T314-I322 WeakPolarHBondContact CA-O 3.48Å
315	F	89.8	Confident	89.7	Confident	60 Å²	60	66.7 Å²	66.7	26%	0.263	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.3	171.5	73.5	-77.3	0	0	0	110.6	C317 I322 F324 Y327	F315-C317 HydrophobicContact CD2-CB 4.47Å; F315-C317 HydrophobicContact CE2-CB 3.89Å; F315-C317 HydrophobicContact CZ-CB 4.43Å; F315-I322 HydrophobicContact CD1-CG2 4.36Å; F315-I322 WeakPolarHBondContact CD1-O 3.3Å; F315-I322 HydrophobicContact CE1-CG2 3.84Å; F315-I322 HydrophobicContact CZ-CG2 3.95Å; F315-I322 PolarHBondContact N-O 2.98Å; F315-I322 PolarHBondContact O-N 3.16Å; F315-I322 VanDerWaalsContact O-N 3.07Å; F315-F324 HydrophobicContact CB-CZ 4.4Å; F315-F324 AromaticContact CD1-CD1 3.88Å; F315-F324 HydrophobicContact CD1-CD1 3.88Å; F315-F324 AromaticContact CD1-CE1 3.65Å; F315-F324 HydrophobicContact CD1-CE1 3.65Å; F315-F324 HydrophobicContact CD1-CE2 4.47Å; F315-F324 HydrophobicContact CD1-CG 4.39Å; F315-F324 AromaticContact CD1-CZ 3.98Å; F315-F324 HydrophobicContact CD1-CZ 3.98Å; F315-F324 AromaticContact CE1-CD1 3.86Å; F315-F324 HydrophobicContact CE1-CD1 3.86Å; F315-F324 AromaticContact CE1-CE1 3.98Å; F315-F324 HydrophobicContact CE1-CE1 3.98Å; F315-F324 HydrophobicContact CG-CE1 4.26Å; F315-F324 HydrophobicContact CG-CZ 4.4Å; F315-Y327 HydrophobicContact CE1-CD1 4.34Å; F315-Y327 HydrophobicContact CE1-CD2 4.45Å; F315-Y327 AromaticContact CE1-CG 3.99Å; F315-Y327 HydrophobicContact CE1-CG 3.99Å; F315-Y327 HydrophobicContact CZ-CD1 4.03Å; F315-Y327 AromaticContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CE1 4.4Å; F315-Y327 HydrophobicContact CZ-CE2 4.13Å; F315-Y327 AromaticContact CZ-CG 3.65Å; F315-Y327 HydrophobicContact CZ-CG 3.65Å
316	S	86.9	Confident	89.8	Confident	80 Å²	80	71.8 Å²	71.8	56%	0.559	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.5	-179	-156.7	0	0	0	0	111.7	D321	S316-D321 WeakPolarHBondContact CA-OD1 3.45Å; S316-D321 VanDerWaalsContact CB-OD1 3.23Å; S316-D321 WeakPolarHBondContact CB-OD1 3.29Å; S316-D321 PolarHBondContact OG-OD1 3.3Å; S316-D321 VanDerWaalsContact OG-OD1 3.08Å
317	C	77.8	Confident	89.9	Confident	46 Å²	46	71.9 Å²	71.9	31%	0.311	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	108.6	178.1	-172.9	0	0	0	0	109.6	F315 G319 R320 I322	F315-C317 HydrophobicContact CD2-CB 4.47Å; F315-C317 HydrophobicContact CE2-CB 3.89Å; F315-C317 HydrophobicContact CZ-CB 4.43Å; C317-G319 PolarHBondContact O-N 2.9Å; C317-R320 PolarHBondContact N-O 2.86Å; C317-R320 PolarHBondContact O-N 2.93Å; C317-R320 VanDerWaalsContact O-N 3.1Å; C317-I322 HydrophobicContact CB-CG2 4.05Å
318	K	74.7	Confident	90.1	Very high	212 Å²	212	69.9 Å²	69.9	92%	0.922	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	38.8	-179.1	-58.2	-179	177.4	180	0	113.5
319	G	79.2	Confident	90.3	Very high	71 Å²	71	69.8 Å²	69.8	73%	0.732	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	9.8	178.7	0	0	0	0	0	115.1	C317	C317-G319 PolarHBondContact O-N 2.9Å
320	R	85.9	Confident	90.3	Very high	203 Å²	203	72.2 Å²	72.2	77%	0.766	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.6	169.3	-64.3	-175.3	-176.6	-176.3	-0.7	110	C317	C317-R320 PolarHBondContact N-O 2.86Å; C317-R320 PolarHBondContact O-N 2.93Å; C317-R320 VanDerWaalsContact O-N 3.1Å
321	D	89.4	Confident	90.1	Very high	118 Å²	118	75.9 Å²	75.9	63%	0.631	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.5	173.7	-65.8	-17.5	0	0	0	109.2	S316	S316-D321 WeakPolarHBondContact CA-OD1 3.45Å; S316-D321 VanDerWaalsContact CB-OD1 3.23Å; S316-D321 WeakPolarHBondContact CB-OD1 3.29Å; S316-D321 PolarHBondContact OG-OD1 3.3Å; S316-D321 VanDerWaalsContact OG-OD1 3.08Å
322	I	94.1	Very high	89.9	Confident	35 Å²	35	78.8 Å²	78.8	18%	0.179	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142.7	-176.5	-169.6	168.7	0	0	0	109	T314 F315 C317 E326	T314-I322 WeakPolarHBondContact CA-O 3.48Å; F315-I322 HydrophobicContact CD1-CG2 4.36Å; F315-I322 WeakPolarHBondContact CD1-O 3.3Å; F315-I322 HydrophobicContact CE1-CG2 3.84Å; F315-I322 HydrophobicContact CZ-CG2 3.95Å; F315-I322 PolarHBondContact N-O 2.98Å; F315-I322 PolarHBondContact O-N 3.16Å; F315-I322 VanDerWaalsContact O-N 3.07Å; C317-I322 HydrophobicContact CB-CG2 4.05Å; I322-E326 HydrophobicContact CD1-CB 4Å; I322-E326 HydrophobicContact CG1-CB 3.64Å
323	S	94	Very high	89.9	Confident	11 Å²	11	78.8 Å²	78.8	8%	0.077	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	157.5	174	69.4	0	0	0	0	111.2	S313 V325 E326 Y327	S313-S323 WeakPolarHBondContact O-CA 3.4Å; S323-V325 VanDerWaalsContact C-N 3.28Å; S323-V325 PolarHBondContact O-N 3.33Å; S323-E326 PolarHBondContact O-N 2.84Å; S323-E326 WeakPolarHBondContact OG-CB 3.43Å; S323-E326 VanDerWaalsContact OG-CD 3.3Å; S323-E326 VanDerWaalsContact OG-CG 3.3Å; S323-E326 WeakPolarHBondContact OG-CG 3.43Å; S323-E326 PolarHBondContact OG-N 3.31Å; S323-E326 VanDerWaalsContact OG-N 3.16Å; S323-E326 PolarHBondContact OG-OE1 2.9Å; S323-Y327 WeakPolarHBondContact O-CB 3.47Å; S323-Y327 PolarHBondContact O-N 2.77Å
324	F	93.8	Very high	89.9	Confident	8 Å²	8	79.5 Å²	79.5	4%	0.035	42%	0.415	C	S	.	.	H	α-helix	trans	-61.2	-40.4	174.3	-66	-77.8	0	0	0	111.3	P311 S313 F315 E326 Y327 Y328 L343 V362 I364	P311-F324 WeakPolarHBondContact O-CB 3.38Å; P311-F324 PolarHBondContact O-N 3.25Å; S313-F324 VanDerWaalsContact O-CD2 3.22Å; S313-F324 WeakPolarHBondContact O-CD2 3.43Å; S313-F324 PolarHBondContact O-N 3.41Å; F315-F324 HydrophobicContact CB-CZ 4.4Å; F315-F324 AromaticContact CD1-CD1 3.88Å; F315-F324 HydrophobicContact CD1-CD1 3.88Å; F315-F324 AromaticContact CD1-CE1 3.65Å; F315-F324 HydrophobicContact CD1-CE1 3.65Å; F315-F324 HydrophobicContact CD1-CE2 4.47Å; F315-F324 HydrophobicContact CD1-CG 4.39Å; F315-F324 AromaticContact CD1-CZ 3.98Å; F315-F324 HydrophobicContact CD1-CZ 3.98Å; F315-F324 AromaticContact CE1-CD1 3.86Å; F315-F324 HydrophobicContact CE1-CD1 3.86Å; F315-F324 AromaticContact CE1-CE1 3.98Å; F315-F324 HydrophobicContact CE1-CE1 3.98Å; F315-F324 HydrophobicContact CG-CE1 4.26Å; F315-F324 HydrophobicContact CG-CZ 4.4Å; F324-E326 PolarHBondContact O-N 3.09Å; F324-Y327 PolarHBondContact O-N 2.77Å; F324-Y328 HydrophobicContact CB-CD2 4.35Å; F324-Y328 HydrophobicContact CB-CE2 4.42Å; F324-Y328 HydrophobicContact CD1-CE2 4.31Å; F324-Y328 WeakPolarHBondContact O-CD2 3.4Å; F324-Y328 PolarHBondContact O-N 2.92Å; F324-L343 HydrophobicContact CD2-CD1 3.96Å; F324-L343 HydrophobicContact CD2-CD2 4.47Å; F324-L343 HydrophobicContact CE2-CD1 3.46Å; F324-L343 VanDerWaalsContact CE2-CD1 3.46Å; F324-L343 HydrophobicContact CZ-CD1 4.01Å; F324-V362 HydrophobicContact CE1-CB 3.85Å; F324-V362 HydrophobicContact CE1-CG1 4.01Å; F324-V362 HydrophobicContact CE2-CG1 4.38Å; F324-V362 HydrophobicContact CZ-CB 3.77Å; F324-V362 HydrophobicContact CZ-CG1 3.66Å; F324-V362 HydrophobicContact CZ-CG2 4.35Å; F324-I364 HydrophobicContact CB-CD1 3.93Å; F324-I364 HydrophobicContact CG-CD1 4.26Å
325	V	94.6	Very high	90	Very high	34 Å²	34	84.9 Å²	84.9	21%	0.206	43%	0.425	C	S	.	.	H	α-helix	trans	-56.3	-51.6	176.6	177.7	0	0	0	0	111.4	P311 S323 Y327 L329 I336	P311-V325 HydrophobicContact CB-CG2 3.86Å; P311-V325 WeakPolarHBondContact O-CG2 3.48Å; P311-V325 PolarHBondContact O-N 3.15Å; S323-V325 VanDerWaalsContact C-N 3.28Å; S323-V325 PolarHBondContact O-N 3.33Å; V325-Y327 PolarHBondContact O-N 2.79Å; V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.35Å; V325-L329 PolarHBondContact O-N 3.1Å; V325-I336 HydrophobicContact CG2-CB 4.48Å; V325-I336 HydrophobicContact CG2-CD1 4.19Å
326	E	93.4	Very high	90.2	Very high	108 Å²	108	82.4 Å²	82.4	51%	0.505	41%	0.414	S	S	.	.	H	α-helix	trans	-66	-39.2	180	-75.5	163	-148.6	0	0	112.3	I322 S323 F324 L329 T330	I322-E326 HydrophobicContact CD1-CB 4Å; I322-E326 HydrophobicContact CG1-CB 3.64Å; S323-E326 PolarHBondContact O-N 2.84Å; S323-E326 WeakPolarHBondContact OG-CB 3.43Å; S323-E326 VanDerWaalsContact OG-CD 3.3Å; S323-E326 VanDerWaalsContact OG-CG 3.3Å; S323-E326 WeakPolarHBondContact OG-CG 3.43Å; S323-E326 PolarHBondContact OG-N 3.31Å; S323-E326 VanDerWaalsContact OG-N 3.16Å; S323-E326 PolarHBondContact OG-OE1 2.9Å; F324-E326 PolarHBondContact O-N 3.09Å; E326-L329 PolarHBondContact O-N 3.04Å; E326-T330 VanDerWaalsContact O-CB 3.25Å; E326-T330 WeakPolarHBondContact O-CB 3.4Å; E326-T330 PolarHBondContact O-N 2.95Å; E326-T330 PolarHBondContact O-OG1 2.8Å
327	Y	93.9	Very high	90.5	Very high	41 Å²	41	88.1 Å²	88.1	16%	0.161	42%	0.424	C	S	.	.	H	α-helix	trans	-62.8	-48.3	178.6	170.6	-100.6	0	0	0	112	F315 S323 F324 V325 L329 T330 K331 Y332	F315-Y327 HydrophobicContact CE1-CD1 4.34Å; F315-Y327 HydrophobicContact CE1-CD2 4.45Å; F315-Y327 AromaticContact CE1-CG 3.99Å; F315-Y327 HydrophobicContact CE1-CG 3.99Å; F315-Y327 HydrophobicContact CZ-CD1 4.03Å; F315-Y327 AromaticContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CE1 4.4Å; F315-Y327 HydrophobicContact CZ-CE2 4.13Å; F315-Y327 AromaticContact CZ-CG 3.65Å; F315-Y327 HydrophobicContact CZ-CG 3.65Å; S323-Y327 WeakPolarHBondContact O-CB 3.47Å; S323-Y327 PolarHBondContact O-N 2.77Å; F324-Y327 PolarHBondContact O-N 2.77Å; V325-Y327 PolarHBondContact O-N 2.79Å; Y327-L329 VanDerWaalsContact C-N 3.34Å; Y327-T330 PolarHBondContact O-N 2.87Å; Y327-K331 HydrophobicContact CD2-CD 4.38Å; Y327-K331 HydrophobicContact CE1-CD 4.35Å; Y327-K331 HydrophobicContact CE2-CB 4.46Å; Y327-K331 HydrophobicContact CE2-CD 3.49Å; Y327-K331 VanDerWaalsContact CE2-CD 3.49Å; Y327-K331 VanDerWaalsContact CZ-CD 3.48Å; Y327-K331 WeakPolarHBondContact O-CB 3.43Å; Y327-K331 PolarHBondContact O-N 2.81Å; Y327-K331 WeakPolarHBondContact OH-CD 3.41Å; Y327-K331 PolarHBondContact OH-NZ 2.82Å; Y327-Y332 AromaticContact CE1-CE2 3.99Å; Y327-Y332 HydrophobicContact CE1-CE2 3.99Å
328	Y	94.3	Very high	91.3	Very high	8 Å²	8	87.9 Å²	87.9	3%	0.031	42%	0.42	C	S	.	.	H	α-helix	trans	-68.5	-34.7	-179.9	-79	-70.7	0	0	0	112.2	Y295 F324 Y332 N333 I334 I336 I364 L367	Y295-Y328 HydrophobicContact CD1-CE1 4.24Å; Y295-Y328 HydrophobicContact CD2-CE1 4.45Å; Y295-Y328 HydrophobicContact CE1-CD1 4.29Å; Y295-Y328 AromaticContact CE1-CE1 3.6Å; Y295-Y328 HydrophobicContact CE1-CE1 3.6Å; Y295-Y328 AromaticContact CE2-CE1 3.84Å; Y295-Y328 HydrophobicContact CE2-CE1 3.84Å; Y295-Y328 AromaticContact CZ-CE1 3.39Å; Y295-Y328 WeakPolarHBondContact OH-CE1 3.29Å; Y295-Y328 PolarHBondContact OH-OH 3.41Å; Y295-Y328 VanDerWaalsContact OH-OH 3.07Å; F324-Y328 HydrophobicContact CB-CD2 4.35Å; F324-Y328 HydrophobicContact CB-CE2 4.42Å; F324-Y328 HydrophobicContact CD1-CE2 4.31Å; F324-Y328 WeakPolarHBondContact O-CD2 3.4Å; F324-Y328 PolarHBondContact O-N 2.92Å; Y328-Y332 AromaticContact CD1-CD2 3.69Å; Y328-Y332 HydrophobicContact CD1-CD2 3.69Å; Y328-Y332 HydrophobicContact CD1-CE2 4.07Å; Y328-Y332 HydrophobicContact CE1-CD2 4.15Å; Y328-Y332 HydrophobicContact CE1-CE2 4.08Å; Y328-Y332 CarbonylContact O-C 3.47Å; Y328-Y332 PolarHBondContact O-N 3.46Å; Y328-Y332 VanDerWaalsContact O-N 3.09Å; Y328-N333 PolarHBondContact O-N 2.78Å; Y328-I334 CarbonylContact C-O 3.49Å; Y328-I334 PolarHBondContact O-N 3.45Å; Y328-I336 HydrophobicContact CD2-CD1 3.98Å; Y328-I364 HydrophobicContact CD2-CG1 3.95Å; Y328-I364 HydrophobicContact CE2-CD1 4.38Å; Y328-I364 HydrophobicContact CE2-CG1 3.5Å; Y328-L367 HydrophobicContact CD1-CD1 3.73Å; Y328-L367 HydrophobicContact CD2-CD1 4.32Å; Y328-L367 HydrophobicContact CE1-CD1 4.02Å; Y328-L367 HydrophobicContact CG-CD1 3.93Å
329	L	93.8	Very high	92.2	Very high	68 Å²	68	80.9 Å²	80.9	36%	0.356	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-49.2	174.1	-174.6	60.4	0	0	0	111.6	V325 E326 Y327 N333 I334 R335	V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.35Å; V325-L329 PolarHBondContact O-N 3.1Å; E326-L329 PolarHBondContact O-N 3.04Å; Y327-L329 VanDerWaalsContact C-N 3.34Å; L329-N333 WeakPolarHBondContact O-CA 3.18Å; L329-N333 PolarHBondContact O-N 2.92Å; L329-I334 WeakPolarHBondContact CA-O 3.44Å; L329-I334 PolarHBondContact N-O 3.32Å; L329-R335 HydrophobicContact CD1-CG 3.87Å
330	T	91.8	Very high	92.7	Very high	117 Å²	117	83.7 Å²	83.7	72%	0.718	39%	0.388	S	S	*	.	H	α-helix	trans	-69	-41.2	-176.2	-54.2	0	0	0	0	112	E326 Y327	E326-T330 VanDerWaalsContact O-CB 3.25Å; E326-T330 WeakPolarHBondContact O-CB 3.4Å; E326-T330 PolarHBondContact O-N 2.95Å; E326-T330 PolarHBondContact O-OG1 2.8Å; Y327-T330 PolarHBondContact O-N 2.87Å
331	K	90.8	Very high	93.1	Very high	117 Å²	117	74.1 Å²	74.1	51%	0.509	35%	0.352	S	S	.	.	H	α-helix	trans	-88	-36	-171.4	-172.2	171.3	178.1	174.1	0	114	Y327	Y327-K331 HydrophobicContact CD2-CD 4.38Å; Y327-K331 HydrophobicContact CE1-CD 4.35Å; Y327-K331 HydrophobicContact CE2-CB 4.46Å; Y327-K331 HydrophobicContact CE2-CD 3.49Å; Y327-K331 VanDerWaalsContact CE2-CD 3.49Å; Y327-K331 VanDerWaalsContact CZ-CD 3.48Å; Y327-K331 WeakPolarHBondContact O-CB 3.43Å; Y327-K331 PolarHBondContact O-N 2.81Å; Y327-K331 WeakPolarHBondContact OH-CD 3.41Å; Y327-K331 PolarHBondContact OH-NZ 2.82Å
332	Y	91.1	Very high	93.2	Very high	61 Å²	61	69.7 Å²	69.7	24%	0.239	33%	0.33	C	S	.	.	H	α-helix	trans	-122.6	-2.5	-173.7	-55	-74.4	0	0	0	113	Y295 N296 Y327 Y328 I334	Y295-Y332 AromaticContact CD2-CD1 3.84Å; Y295-Y332 HydrophobicContact CD2-CD1 3.84Å; Y295-Y332 AromaticContact CD2-CD2 3.88Å; Y295-Y332 HydrophobicContact CD2-CD2 3.88Å; Y295-Y332 AromaticContact CD2-CE1 3.66Å; Y295-Y332 HydrophobicContact CD2-CE1 3.66Å; Y295-Y332 AromaticContact CD2-CE2 3.67Å; Y295-Y332 HydrophobicContact CD2-CE2 3.67Å; Y295-Y332 AromaticContact CD2-CG 3.95Å; Y295-Y332 HydrophobicContact CD2-CG 3.95Å; Y295-Y332 AromaticContact CD2-CZ 3.55Å; Y295-Y332 HydrophobicContact CE2-CD2 4.34Å; Y295-Y332 HydrophobicContact CE2-CE1 4.34Å; Y295-Y332 AromaticContact CE2-CE2 3.79Å; Y295-Y332 HydrophobicContact CE2-CE2 3.79Å; Y295-Y332 AromaticContact CE2-CZ 3.78Å; Y295-Y332 HydrophobicContact CG-CD1 4.36Å; Y295-Y332 HydrophobicContact CG-CD2 4.37Å; Y295-Y332 HydrophobicContact CG-CG 4.25Å; N296-Y332 HydrophobicContact CB-CE1 4.41Å; Y327-Y332 AromaticContact CE1-CE2 3.99Å; Y327-Y332 HydrophobicContact CE1-CE2 3.99Å; Y328-Y332 AromaticContact CD1-CD2 3.69Å; Y328-Y332 HydrophobicContact CD1-CD2 3.69Å; Y328-Y332 HydrophobicContact CD1-CE2 4.07Å; Y328-Y332 HydrophobicContact CE1-CD2 4.15Å; Y328-Y332 HydrophobicContact CE1-CE2 4.08Å; Y328-Y332 CarbonylContact O-C 3.47Å; Y328-Y332 PolarHBondContact O-N 3.46Å; Y328-Y332 VanDerWaalsContact O-N 3.09Å; Y332-I334 VanDerWaalsContact C-N 3.3Å; Y332-I334 PolarHBondContact O-N 2.83Å
333	N	93.3	Very high	93.2	Very high	135 Å²	135	68 Å²	68	72%	0.722	32%	0.321	S	S	*	.			trans	57.1	40.3	-175.2	-161.2	26.8	0	0	0	113.3	Y328 L329	Y328-N333 PolarHBondContact O-N 2.78Å; L329-N333 WeakPolarHBondContact O-CA 3.18Å; L329-N333 PolarHBondContact O-N 2.92Å
334	I	93.1	Very high	93.2	Very high	46 Å²	46	67.5 Å²	67.5	24%	0.236	32%	0.317	C	S	.	.			trans	-114.4	127.5	-178.5	-65.6	172.2	0	0	0	110	Y295 Y328 L329 Y332 L367	Y295-I334 HydrophobicContact CD1-CD1 4.3Å; Y295-I334 HydrophobicContact CG-CD1 4.19Å; Y328-I334 CarbonylContact C-O 3.49Å; Y328-I334 PolarHBondContact O-N 3.45Å; L329-I334 WeakPolarHBondContact CA-O 3.44Å; L329-I334 PolarHBondContact N-O 3.32Å; Y332-I334 VanDerWaalsContact C-N 3.3Å; Y332-I334 PolarHBondContact O-N 2.83Å; I334-L367 HydrophobicContact CG2-CD1 4.09Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å
335	R	94.1	Very high	93.1	Very high	203 Å²	203	68 Å²	68	77%	0.766	32%	0.32	S	S	*	.			trans	-92.5	126.3	174.2	-64.5	-177.8	-177.7	-159.4	0.5	110	L329	L329-R335 HydrophobicContact CD1-CG 3.87Å
336	I	94.8	Very high	92.9	Very high	8 Å²	8	66.7 Å²	66.7	4%	0.041	31%	0.313	C	S	.	.			trans	-81.7	130.4	173	-58.5	175.9	0	0	0	108.1	P311 V325 Y328 D338 I364	P311-I336 HydrophobicContact CB-CD1 4.05Å; P311-I336 HydrophobicContact CB-CG2 4.09Å; P311-I336 HydrophobicContact CG-CG2 4.03Å; V325-I336 HydrophobicContact CG2-CB 4.48Å; V325-I336 HydrophobicContact CG2-CD1 4.19Å; Y328-I336 HydrophobicContact CD2-CD1 3.98Å; I336-D338 WeakPolarHBondContact CG2-O 3.45Å; I336-I364 HydrophobicContact CD1-CD1 3.93Å; I336-I364 HydrophobicContact CD1-CG1 3.82Å; I336-I364 HydrophobicContact CD1-CG2 4.22Å; I336-I364 HydrophobicContact CG2-CG2 4.18Å
337	R	93.6	Very high	92.4	Very high	201 Å²	201	66.3 Å²	66.3	76%	0.758	31%	0.309	S	S	*	.	S	Bend	trans	-88.7	-48.4	-174.9	-72.7	174.8	-78.5	174.4	0	112	E366	R337-E366 IonicContact CZ-OE1 3.87Å; R337-E366 VanDerWaalsContact CZ-OE1 3.25Å; R337-E366 PolarHBondContact N-OE2 2.92Å; R337-E366 IonicContact NE-OE1 2.88Å; R337-E366 PolarHBondContact NE-OE1 3.45Å; R337-E366 IonicContact NH2-OE1 2.88Å; R337-E366 PolarHBondContact NH2-OE1 3.25Å
338	D	92.8	Very high	90.9	Very high	41 Å²	41	67.3 Å²	67.3	22%	0.219	32%	0.317	C	S	.	.			trans	-94.8	117.4	179.6	-170.1	-13.7	0	0	0	110.7	Y265 I336 N340 Q341 E366	Y265-D338 HydrophobicContact CE2-CB 3.85Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.42Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.23Å; Y265-D338 PolarHBondContact OH-OD2 2.87Å; I336-D338 WeakPolarHBondContact CG2-O 3.45Å; D338-N340 PolarHBondContact OD1-N 3.03Å; D338-Q341 HydrophobicContact CB-CB 4.39Å; D338-Q341 WeakPolarHBondContact O-CG 3.44Å; D338-Q341 PolarHBondContact O-NE2 3.36Å; D338-Q341 PolarHBondContact OD1-N 3.22Å; D338-E366 PolarHBondContact N-OE2 3.34Å
339	H	93.7	Very high	89	Confident	64 Å²	64	74.1 Å²	74.1	30%	0.296	35%	0.347	S	S	.	.	S	Bend	trans	-90	-7.3	-179.9	-67.4	99.2	0	0	0	114.2	T310 K312	T310-H339 WeakPolarHBondContact CB-O 3.49Å; K312-H339 HydrophobicContact CD-CB 4.35Å; K312-H339 HydrophobicContact CG-CB 4.37Å
340	N	91.3	Very high	86.7	Confident	130 Å²	130	76.9 Å²	76.9	70%	0.695	36%	0.362	S	S	*	.	S	Bend	trans	-105.7	-1	-178.7	-62.1	-24.8	0	0	0	112.2	D338	D338-N340 PolarHBondContact OD1-N 3.03Å
341	Q	92.6	Very high	84.3	Confident	3 Å²	3	76 Å²	76	1%	0.014	35%	0.349	C	S	.	.			trans	-63.1	143.5	176.5	70.7	-173.4	-70.3	0	0	110.9	Y265 P311 D338 I364 P365 E366	Y265-Q341 HydrophobicContact CD2-CB 4.01Å; Y265-Q341 HydrophobicContact CE2-CB 3.96Å; P311-Q341 WeakPolarHBondContact CD-O 3.46Å; P311-Q341 HydrophobicContact CG-CG 3.65Å; D338-Q341 HydrophobicContact CB-CB 4.39Å; D338-Q341 WeakPolarHBondContact O-CG 3.44Å; D338-Q341 PolarHBondContact O-NE2 3.36Å; D338-Q341 PolarHBondContact OD1-N 3.22Å; Q341-I364 HydrophobicContact CG-CG2 4.49Å; Q341-P365 VanDerWaalsContact OE1-CD 3.28Å; Q341-E366 PolarHBondContact NE2-OE2 3.29Å
342	P	93.4	Very high	81.9	Confident	24 Å²	24	72.3 Å²	72.3	16%	0.156	34%	0.34	C	S	.	.			trans	-68.5	172	173.9	31.1	-38.2	0	0	0	111.4	M268 V305 D306 F307 P365	M268-P342 HydrophobicContact CE-CB 4.34Å; M268-P342 HydrophobicContact CE-CG 3.26Å; M268-P342 HydrophobicContact SD-CG 3.96Å; V305-P342 HydrophobicContact CG1-CB 4.08Å; V305-P342 HydrophobicContact CG1-CG 4.26Å; D306-P342 WeakPolarHBondContact O-CA 3.48Å; D306-P342 VanDerWaalsContact O-CB 3.24Å; D306-P342 WeakPolarHBondContact O-CB 3.37Å; F307-P342 HydrophobicContact CD1-CB 3.85Å; F307-P342 HydrophobicContact CD1-CG 4.15Å; F307-P342 HydrophobicContact CE1-CB 4.33Å; F307-P342 HydrophobicContact CE1-CG 4.22Å; F307-P342 HydrophobicContact CG-CB 4.29Å; P342-P365 WeakPolarHBondContact O-CD 3.16Å; P342-P365 WeakPolarHBondContact O-CG 3.18Å
343	L	94.3	Very high	79.5	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	147.5	178.1	-62.6	178.5	0	0	0	111.9	V305 D306 Q309 F324 V362 I364	V305-L343 WeakPolarHBondContact CA-O 3.43Å; D306-L343 PolarHBondContact N-O 3.24Å; D306-L343 PolarHBondContact O-N 3.47Å; Q309-L343 HydrophobicContact CB-CD1 3.41Å; Q309-L343 VanDerWaalsContact CB-CD1 3.41Å; Q309-L343 HydrophobicContact CB-CG 4.12Å; F324-L343 HydrophobicContact CD2-CD1 3.96Å; F324-L343 HydrophobicContact CD2-CD2 4.47Å; F324-L343 HydrophobicContact CE2-CD1 3.46Å; F324-L343 VanDerWaalsContact CE2-CD1 3.46Å; F324-L343 HydrophobicContact CZ-CD1 4.01Å; L343-V362 HydrophobicContact CB-CG1 3.58Å; L343-V362 HydrophobicContact CD1-CG1 3.56Å; L343-V362 HydrophobicContact CD2-CG1 4.28Å; L343-V362 HydrophobicContact CG-CG1 4.01Å; L343-I364 HydrophobicContact CD2-CD1 3.35Å
344	L	93.7	Very high	77	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	131.4	175.5	-52	174.7	0	0	0	109.8	I264 M268 V286 I302 V305 V362 L363 P365 C368	I264-L344 HydrophobicContact CB-CD1 4.15Å; I264-L344 HydrophobicContact CG1-CD1 4.06Å; I264-L344 HydrophobicContact CG2-CD1 3.95Å; I264-L344 HydrophobicContact CG2-CD2 3.94Å; M268-L344 HydrophobicContact CE-CD2 4.42Å; V286-L344 HydrophobicContact CG1-CD2 4.17Å; I302-L344 HydrophobicContact CD1-CD1 3.82Å; I302-L344 HydrophobicContact CD1-CD2 4.25Å; I302-L344 HydrophobicContact CD1-CG 4.49Å; I302-L344 HydrophobicContact CG1-CD1 4.39Å; I302-L344 HydrophobicContact CG2-CB 4.44Å; I302-L344 HydrophobicContact CG2-CD2 4.41Å; V305-L344 HydrophobicContact CG1-CD2 4.4Å; V305-L344 HydrophobicContact CG2-CD2 3.94Å; L344-V362 CarbonylContact O-C 3.02Å; L344-V362 WeakPolarHBondContact O-CA 3.36Å; L344-L363 HydrophobicContact CB-CB 4.19Å; L344-L363 PolarHBondContact N-O 3.01Å; L344-L363 PolarHBondContact O-N 3.5Å; L344-P365 HydrophobicContact CD1-CG 4.38Å; L344-P365 HydrophobicContact CD2-CG 4.15Å; L344-P365 HydrophobicContact CG-CG 3.95Å; L344-C368 HydrophobicContact CD1-CB 4.06Å
345	I	91.9	Very high	74.6	Confident	18 Å²	18	79.8 Å²	79.8	9%	0.092	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124	177.4	-62.3	178.2	0	0	0	109.5	N303 D304 D306 K347 L360	N303-I345 PolarHBondContact N-O 3.17Å; D304-I345 HydrophobicContact CB-CB 4Å; D304-I345 HydrophobicContact CB-CD1 4.35Å; D304-I345 PolarHBondContact N-O 2.96Å; D304-I345 VanDerWaalsContact N-O 3.14Å; D304-I345 PolarHBondContact O-N 3.36Å; D306-I345 HydrophobicContact CB-CD1 3.81Å; D306-I345 HydrophobicContact CB-CG1 4.23Å; I345-K347 HydrophobicContact CG2-CG 4.24Å; I345-L360 HydrophobicContact CG1-CD2 4.47Å; I345-L360 HydrophobicContact CG2-CD1 3.82Å; I345-L360 HydrophobicContact CG2-CD2 3.93Å; I345-L360 HydrophobicContact CG2-CG 3.75Å
346	S	89.8	Confident	72.1	Confident	7 Å²	7	78.7 Å²	78.7	5%	0.049	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.2	171.9	166.9	0	0	0	0	109.6	R301 V361	R301-S346 WeakPolarHBondContact O-CB 3.45Å; R301-S346 PolarHBondContact O-OG 3.46Å; S346-V361 PolarHBondContact N-O 3.36Å; S346-V361 PolarHBondContact O-N 2.94Å
347	K	83.2	Confident	69.7	Low	100 Å²	100	81.1 Å²	81.1	44%	0.435	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.3	175.8	-63.5	-178.5	-178.4	177.4	0	109	N303 I345 K349	N303-K347 HydrophobicContact CB-CG 4.45Å; N303-K347 PolarHBondContact OD1-N 3.37Å; N303-K347 PolarHBondContact OD1-O 2.96Å; I345-K347 HydrophobicContact CG2-CG 4.24Å; K347-K349 PolarHBondContact O-N 3.4Å
348	N	61.9	Low	67.5	Low	62 Å²	62	75.2 Å²	75.2	33%	0.332	40%	0.395	S	S	.	.			trans	-79.7	91	178.3	-165.6	-14.1	0	0	0	110.8	D350 K351 A352	N348-D350 VanDerWaalsContact C-N 3.27Å; N348-D350 PolarHBondContact O-N 3.26Å; N348-D350 PolarHBondContact OD1-N 2.9Å; N348-K351 HydrophobicContact CB-CB 4.48Å; N348-K351 PolarHBondContact O-N 2.82Å; N348-A352 WeakPolarHBondContact O-CB 3.41Å; N348-A352 PolarHBondContact O-N 2.9Å
349	K	53.9	Low	66.1	Low	152 Å²	152	77.9 Å²	77.9	66%	0.661	41%	0.406	S	S	*	.	H	α-helix	trans	-58.6	-35.8	-178.5	-71	-170.2	176.1	-171.6	0	113.4	K347 K351 A352	K347-K349 PolarHBondContact O-N 3.4Å; K349-K351 VanDerWaalsContact C-N 3.33Å; K349-K351 PolarHBondContact O-N 3.47Å; K349-A352 PolarHBondContact O-N 3.39Å
350	D	45.2	Very low	65.3	Low	126 Å²	126	78.8 Å²	78.8	67%	0.674	41%	0.412	S	S	*	.	H	α-helix	trans	-73.8	-24.6	-174.2	-63.2	-20.8	0	0	0	113.3	N348	N348-D350 VanDerWaalsContact C-N 3.27Å; N348-D350 PolarHBondContact O-N 3.26Å; N348-D350 PolarHBondContact OD1-N 2.9Å
351	K	41.7	Very low	65.2	Low	99 Å²	99	74.4 Å²	74.4	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-92.8	-32.4	173.2	-84.2	-172.1	172.5	-168.7	0	113.2	N348 K349 Q353 K354 T355 E359	N348-K351 HydrophobicContact CB-CB 4.48Å; N348-K351 PolarHBondContact O-N 2.82Å; K349-K351 VanDerWaalsContact C-N 3.33Å; K349-K351 PolarHBondContact O-N 3.47Å; K351-Q353 PolarHBondContact O-N 3.42Å; K351-K354 PolarHBondContact O-N 2.93Å; K351-T355 PolarHBondContact O-N 3.35Å; K351-T355 VanDerWaalsContact O-N 3.08Å; K351-T355 PolarHBondContact O-OG1 3.17Å; K351-E359 VanDerWaalsContact CD-OE2 3.31Å; K351-E359 WeakPolarHBondContact CD-OE2 3.34Å; K351-E359 IonicContact NZ-OE1 2.9Å; K351-E359 IonicContact NZ-OE2 3.6Å; K351-E359 PolarHBondContact NZ-OE2 2.92Å
352	A	40.3	Very low	65.2	Low	38 Å²	38	75.5 Å²	75.5	31%	0.314	40%	0.397	S	S	.	.	H	α-helix	trans	-61.9	-25.7	179.8	0	0	0	0	0	113.2	N348 K349	N348-A352 WeakPolarHBondContact O-CB 3.41Å; N348-A352 PolarHBondContact O-N 2.9Å; K349-A352 PolarHBondContact O-N 3.39Å
353	Q	41.2	Very low	65.2	Low	178 Å²	178	74.5 Å²	74.5	83%	0.832	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-19.2	171.1	-86.9	179.4	-26.5	0	0	114.2	K351	K351-Q353 PolarHBondContact O-N 3.42Å
354	K	41.7	Very low	65.3	Low	148 Å²	148	74.5 Å²	74.5	64%	0.643	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-26.2	-173.7	-73	-178.4	175.9	176.8	0	113.4	K351	K351-K354 PolarHBondContact O-N 2.93Å
355	T	41.9	Very low	65.3	Low	74 Å²	74	74.5 Å²	74.5	45%	0.454	39%	0.39	S	S	.	.	S	Bend	trans	-132.3	120.1	176.1	47.9	0	0	0	0	105.8	K351 A357	K351-T355 PolarHBondContact O-N 3.35Å; K351-T355 VanDerWaalsContact O-N 3.08Å; K351-T355 PolarHBondContact O-OG1 3.17Å; T355-A357 CarbonylContact O-C 3.56Å; T355-A357 PolarHBondContact O-N 3.19Å
356	N	40.7	Very low	65.4	Low	179 Å²	179	74.3 Å²	74.3	96%	0.957	39%	0.389	S	S	*	.	S	Bend	trans	-57	12.8	176.4	-79.1	-16.3	0	0	0	114.8
357	A	44.1	Very low	65.6	Low	59 Å²	59	74.9 Å²	74.9	49%	0.488	39%	0.391	S	S	.	.	S	Bend	trans	-96.4	114.9	164.8	0	0	0	0	0	109.3	T355 E359	T355-A357 CarbonylContact O-C 3.56Å; T355-A357 PolarHBondContact O-N 3.19Å; A357-E359 VanDerWaalsContact C-N 3.27Å; A357-E359 PolarHBondContact O-N 3.04Å
358	S	48.7	Very low	66	Low	78 Å²	78	70.1 Å²	70.1	55%	0.545	37%	0.371	S	S	.	.			trans	-65.1	89.8	162.7	177.2	0	0	0	0	108	L360	S358-L360 PolarHBondContact O-N 3.45Å
359	E	63.3	Low	67.3	Low	97 Å²	97	69.2 Å²	69.2	45%	0.453	36%	0.363	S	S	.	.			trans	-63.1	87.6	169	-86.6	-172.1	168.2	0	0	108	K351 A357	K351-E359 VanDerWaalsContact CD-OE2 3.31Å; K351-E359 WeakPolarHBondContact CD-OE2 3.34Å; K351-E359 IonicContact NZ-OE1 2.9Å; K351-E359 IonicContact NZ-OE2 3.6Å; K351-E359 PolarHBondContact NZ-OE2 2.92Å; A357-E359 VanDerWaalsContact C-N 3.27Å; A357-E359 PolarHBondContact O-N 3.04Å
360	L	77.4	Confident	68.9	Low	82 Å²	82	62 Å²	62	43%	0.429	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	116.7	173.5	-169.3	143.8	0	0	0	107.4	I345 S358 V362	I345-L360 HydrophobicContact CG1-CD2 4.47Å; I345-L360 HydrophobicContact CG2-CD1 3.82Å; I345-L360 HydrophobicContact CG2-CD2 3.93Å; I345-L360 HydrophobicContact CG2-CG 3.75Å; S358-L360 PolarHBondContact O-N 3.45Å; L360-V362 HydrophobicContact CD2-CG2 3.41Å; L360-V362 VanDerWaalsContact CD2-CG2 3.41Å
361	V	87.8	Confident	70.7	Confident	38 Å²	38	56.8 Å²	56.8	23%	0.23	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.3	177.7	-176.5	0	0	0	0	108.2	Y300 S346 L363	Y300-V361 HydrophobicContact CD1-CG1 4.19Å; Y300-V361 HydrophobicContact CE1-CB 4.37Å; Y300-V361 HydrophobicContact CE1-CG1 3.81Å; Y300-V361 HydrophobicContact CE1-CG2 4.3Å; S346-V361 PolarHBondContact N-O 3.36Å; S346-V361 PolarHBondContact O-N 2.94Å; V361-L363 HydrophobicContact CG1-CD2 3.64Å; V361-L363 HydrophobicContact CG1-CG 4.11Å
362	V	92	Very high	72.5	Confident	27 Å²	27	53.4 Å²	53.4	16%	0.164	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.2	177.3	-169.7	0	0	0	0	109.1	F324 L343 L344 L360	F324-V362 HydrophobicContact CE1-CB 3.85Å; F324-V362 HydrophobicContact CE1-CG1 4.01Å; F324-V362 HydrophobicContact CE2-CG1 4.38Å; F324-V362 HydrophobicContact CZ-CB 3.77Å; F324-V362 HydrophobicContact CZ-CG1 3.66Å; F324-V362 HydrophobicContact CZ-CG2 4.35Å; L343-V362 HydrophobicContact CB-CG1 3.58Å; L343-V362 HydrophobicContact CD1-CG1 3.56Å; L343-V362 HydrophobicContact CD2-CG1 4.28Å; L343-V362 HydrophobicContact CG-CG1 4.01Å; L344-V362 CarbonylContact O-C 3.02Å; L344-V362 WeakPolarHBondContact O-CA 3.36Å; L360-V362 HydrophobicContact CD2-CG2 3.41Å; L360-V362 VanDerWaalsContact CD2-CG2 3.41Å
363	L	94.4	Very high	74.4	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.9	-174.1	-51.2	169.3	0	0	0	111.2	V291 T293 Y300 L344 V361	V291-L363 HydrophobicContact CG2-CD1 4.26Å; T293-L363 HydrophobicContact CG2-CD2 4.27Å; Y300-L363 HydrophobicContact CD1-CD1 4.3Å; Y300-L363 HydrophobicContact CD2-CD1 3.69Å; Y300-L363 HydrophobicContact CD2-CD2 4.2Å; Y300-L363 HydrophobicContact CE2-CD1 4.46Å; Y300-L363 HydrophobicContact CE2-CD2 4.16Å; Y300-L363 HydrophobicContact CG-CD1 3.59Å; L344-L363 HydrophobicContact CB-CB 4.19Å; L344-L363 PolarHBondContact N-O 3.01Å; L344-L363 PolarHBondContact O-N 3.5Å; V361-L363 HydrophobicContact CG1-CD2 3.64Å; V361-L363 HydrophobicContact CG1-CG 4.11Å
364	I	95.7	Very high	76	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.			trans	-93.9	123	179	-54.3	-68	0	0	0	109	P311 F324 Y328 I336 Q341 L343 E366 L367 C368	P311-I364 HydrophobicContact CB-CD1 4.14Å; P311-I364 HydrophobicContact CG-CD1 3.99Å; F324-I364 HydrophobicContact CB-CD1 3.93Å; F324-I364 HydrophobicContact CG-CD1 4.26Å; Y328-I364 HydrophobicContact CD2-CG1 3.95Å; Y328-I364 HydrophobicContact CE2-CD1 4.38Å; Y328-I364 HydrophobicContact CE2-CG1 3.5Å; I336-I364 HydrophobicContact CD1-CD1 3.93Å; I336-I364 HydrophobicContact CD1-CG1 3.82Å; I336-I364 HydrophobicContact CD1-CG2 4.22Å; I336-I364 HydrophobicContact CG2-CG2 4.18Å; Q341-I364 HydrophobicContact CG-CG2 4.49Å; L343-I364 HydrophobicContact CD2-CD1 3.35Å; I364-E366 VanDerWaalsContact C-N 3.26Å; I364-E366 HydrophobicContact CG2-CB 4.09Å; I364-E366 PolarHBondContact O-N 3.42Å; I364-L367 HydrophobicContact CB-CB 4.43Å; I364-L367 HydrophobicContact CB-CD1 4.22Å; I364-L367 HydrophobicContact CB-CG 4.12Å; I364-L367 HydrophobicContact CG1-CD1 4.49Å; I364-L367 HydrophobicContact CG2-CG 4.22Å; I364-L367 PolarHBondContact O-N 3.05Å; I364-C368 PolarHBondContact O-N 3.03Å; I364-C368 PolarHBondContact O-SG 3.5Å
365	P	94.4	Very high	77.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-50.9	-40.5	178.9	-29.6	33.5	0	0	0	114.8	I264 Y265 M268 Q341 P342 L344 L367 C368	I264-P365 HydrophobicContact CB-CB 4.21Å; I264-P365 HydrophobicContact CG2-CB 4.04Å; Y265-P365 PolarHBondContact N-O 3.34Å; M268-P365 HydrophobicContact SD-CB 3.86Å; M268-P365 HydrophobicContact SD-CG 3.83Å; Q341-P365 VanDerWaalsContact OE1-CD 3.28Å; P342-P365 WeakPolarHBondContact O-CD 3.16Å; P342-P365 WeakPolarHBondContact O-CG 3.18Å; L344-P365 HydrophobicContact CD1-CG 4.38Å; L344-P365 HydrophobicContact CD2-CG 4.15Å; L344-P365 HydrophobicContact CG-CG 3.95Å; P365-L367 PolarHBondContact O-N 3.36Å; P365-C368 PolarHBondContact O-N 3.39Å
366	E	94.3	Very high	78.7	Confident	15 Å²	15	47.1 Å²	47.1	7%	0.07	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-60.8	-28.6	179.4	-171.3	-172.7	157.6	0	0	113	R337 D338 Q341 I364	R337-E366 IonicContact CZ-OE1 3.87Å; R337-E366 VanDerWaalsContact CZ-OE1 3.25Å; R337-E366 PolarHBondContact N-OE2 2.92Å; R337-E366 IonicContact NE-OE1 2.88Å; R337-E366 PolarHBondContact NE-OE1 3.45Å; R337-E366 IonicContact NH2-OE1 2.88Å; R337-E366 PolarHBondContact NH2-OE1 3.25Å; D338-E366 PolarHBondContact N-OE2 3.34Å; Q341-E366 PolarHBondContact NE2-OE2 3.29Å; I364-E366 VanDerWaalsContact C-N 3.26Å; I364-E366 HydrophobicContact CG2-CB 4.09Å; I364-E366 PolarHBondContact O-N 3.42Å
367	L	93.1	Very high	80.4	Confident	18 Å²	18	40 Å²	40	9%	0.094	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-99.2	6.9	-176.9	-52.2	-175.6	0	0	0	112.8	T293 Y295 Y328 I334 I364 P365	T293-L367 WeakPolarHBondContact CA-O 3.23Å; Y295-L367 HydrophobicContact CD1-CB 4.15Å; Y295-L367 HydrophobicContact CD1-CD1 4.24Å; Y295-L367 HydrophobicContact CE1-CB 3.88Å; Y295-L367 HydrophobicContact CE1-CD1 4.12Å; Y328-L367 HydrophobicContact CD1-CD1 3.73Å; Y328-L367 HydrophobicContact CD2-CD1 4.32Å; Y328-L367 HydrophobicContact CE1-CD1 4.02Å; Y328-L367 HydrophobicContact CG-CD1 3.93Å; I334-L367 HydrophobicContact CG2-CD1 4.09Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å; I364-L367 HydrophobicContact CB-CB 4.43Å; I364-L367 HydrophobicContact CB-CD1 4.22Å; I364-L367 HydrophobicContact CB-CG 4.12Å; I364-L367 HydrophobicContact CG1-CD1 4.49Å; I364-L367 HydrophobicContact CG2-CG 4.22Å; I364-L367 PolarHBondContact O-N 3.05Å; P365-L367 PolarHBondContact O-N 3.36Å
368	C	92.1	Very high	81.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.8	-174.5	-69.2	0	0	0	0	111.1	T263 I264 V291 L292 L344 I364 P365	T263-C368 CarbonylContact C-O 3.33Å; T263-C368 VanDerWaalsContact CA-O 3.29Å; T263-C368 WeakPolarHBondContact CA-O 3.44Å; I264-C368 HydrophobicContact CB-CB 4.47Å; I264-C368 HydrophobicContact CG1-CB 4.06Å; I264-C368 PolarHBondContact N-O 2.86Å; V291-C368 HydrophobicContact CB-CB 3.99Å; V291-C368 HydrophobicContact CG1-CB 4.21Å; V291-C368 HydrophobicContact CG2-CB 4.17Å; L292-C368 WeakPolarHBondContact O-CA 3.43Å; L344-C368 HydrophobicContact CD1-CB 4.06Å; I364-C368 PolarHBondContact O-N 3.03Å; I364-C368 PolarHBondContact O-SG 3.5Å; P365-C368 PolarHBondContact O-N 3.39Å
369	R	89.3	Confident	83	Confident	44 Å²	44	45.1 Å²	45.1	17%	0.166	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	139.6	173.4	-75.8	-173.6	161.6	179.5	-5.5	111.9	E232 M259 T261 T263 V291 L292 D294	E232-R369 IonicContact OE1-CZ 2.7Å; E232-R369 IonicContact OE1-NH1 3.87Å; E232-R369 PolarHBondContact OE1-NH1 3.03Å; E232-R369 IonicContact OE1-NH2 3.47Å; E232-R369 IonicContact OE2-NH1 2.9Å; E232-R369 PolarHBondContact OE2-NH1 2.79Å; M259-R369 HydrophobicContact CE-CB 4.31Å; T261-R369 PolarHBondContact O-NE 2.98Å; T263-R369 HydrophobicContact CG2-CG 4.47Å; V291-R369 CarbonylContact C-O 3.59Å; V291-R369 WeakPolarHBondContact CA-O 3.32Å; L292-R369 PolarHBondContact N-O 2.95Å; L292-R369 PolarHBondContact O-N 2.75Å; D294-R369 WeakPolarHBondContact OD1-CD 3.29Å; D294-R369 VanDerWaalsContact OD2-CD 3.24Å; D294-R369 WeakPolarHBondContact OD2-CD 3.3Å; D294-R369 IonicContact OD2-CZ 2.94Å; D294-R369 IonicContact OD2-NE 3.56Å; D294-R369 PolarHBondContact OD2-NE 3.44Å
370	V	87.4	Confident	83.8	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	135.1	178.4	-179.3	0	0	0	0	111.1	R260 I264 I267 L289 V291	R260-V370 HydrophobicContact CB-CB 4.47Å; R260-V370 WeakPolarHBondContact CB-O 3.41Å; R260-V370 HydrophobicContact CG-CB 4.47Å; R260-V370 WeakPolarHBondContact CG-O 3.36Å; R260-V370 PolarHBondContact N-O 3.15Å; I264-V370 HydrophobicContact CD1-CG2 3.33Å; I264-V370 HydrophobicContact CG1-CG2 4.12Å; I267-V370 HydrophobicContact CD1-CG2 3.51Å; L289-V370 HydrophobicContact CD1-CG1 4.11Å; L289-V370 HydrophobicContact CD1-CG2 4.12Å; V291-V370 HydrophobicContact CG1-CG2 4.47Å
371	T	83.4	Confident	83.8	Confident	16 Å²	16	48.1 Å²	48.1	10%	0.098	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	148.8	174.4	73.5	0	0	0	0	111.9	M259 I290 L292 T299	M259-T371 HydrophobicContact CE-CG2 3.77Å; M259-T371 HydrophobicContact SD-CG2 3.69Å; I290-T371 WeakPolarHBondContact O-CB 3.46Å; I290-T371 PolarHBondContact O-N 3.5Å; I290-T371 PolarHBondContact O-OG1 3.18Å; L292-T371 HydrophobicContact CB-CG2 3.91Å; T299-T371 HydrophobicContact CG2-CG2 4.48Å
372	G	80.1	Confident	83.6	Confident	27 Å²	27	53 Å²	53	28%	0.278	27%	0.274	S	S	.	.	S	Bend	trans	74.6	-177.5	174.9	0	0	0	0	0	115.3	V258 R260	V258-G372 PolarHBondContact O-N 3.45Å; R260-G372 PolarHBondContact NE-O 3.49Å; R260-G372 PolarHBondContact NH2-O 3.45Å
373	L	79.2	Confident	83.3	Confident	26 Å²	26	51.9 Å²	51.9	14%	0.136	27%	0.267	C	S	.	.			trans	-106.9	136	-174.1	-62.2	176.3	0	0	0	112	M231 V258 M377 R378 L383 M384 M387	M231-L373 HydrophobicContact CE-CD2 4.4Å; M231-L373 HydrophobicContact SD-CD2 3.79Å; V258-L373 HydrophobicContact CG1-CD2 3.93Å; V258-L373 HydrophobicContact CG1-CG 4.3Å; L373-M377 HydrophobicContact CB-CB 4.39Å; L373-M377 HydrophobicContact CD2-CB 4.11Å; L373-M377 HydrophobicContact CD2-CE 3.59Å; L373-M377 HydrophobicContact CD2-SD 4.35Å; L373-R378 HydrophobicContact CB-CG 3.86Å; L373-R378 HydrophobicContact CD1-CG 4.26Å; L373-R378 PolarHBondContact O-NE 3.11Å; L373-R378 PolarHBondContact O-NH2 2.98Å; L373-L383 HydrophobicContact CD2-CD2 4.35Å; L373-M384 HydrophobicContact CD1-SD 3.75Å; L373-M387 HydrophobicContact CD1-CE 3.86Å; L373-M387 HydrophobicContact CD1-SD 3.87Å; L373-M387 HydrophobicContact CD2-CE 3.87Å; L373-M387 HydrophobicContact CG-CE 4.25Å
374	N	74.9	Confident	82.7	Confident	52 Å²	52	54.9 Å²	54.9	28%	0.278	28%	0.282	S	S	.	.			trans	-79.5	174.6	170.1	74	3.7	0	0	0	110.3	E376 M377 R378	N374-E376 PolarHBondContact O-N 3.1Å; N374-E376 PolarHBondContact OD1-N 2.91Å; N374-M377 HydrophobicContact CB-SD 4.26Å; N374-M377 VanDerWaalsContact CG-SD 3.55Å; N374-M377 PolarHBondContact O-N 3.31Å; N374-M377 WeakPolarHBondContact OD1-CB 3.2Å; N374-M377 WeakPolarHBondContact OD1-CG 3.45Å; N374-M377 PolarHBondContact OD1-N 3.1Å; N374-M377 PolarHBondContact OD1-SD 3.23Å; N374-R378 VanDerWaalsContact O-CG 3.32Å; N374-R378 WeakPolarHBondContact O-CG 3.27Å; N374-R378 PolarHBondContact O-N 3.17Å; N374-R378 VanDerWaalsContact O-N 3.12Å
375	A	67.5	Low	82.2	Confident	82 Å²	82	64.4 Å²	64.4	68%	0.678	32%	0.318	S	S	*	.	H	α-helix	trans	-63.7	-40.3	-177.3	0	0	0	0	0	112.8	R378 S379	A375-R378 PolarHBondContact O-N 2.9Å; A375-S379 PolarHBondContact O-N 3.44Å; A375-S379 PolarHBondContact O-OG 3.32Å
376	E	71.9	Confident	81.6	Confident	147 Å²	147	65.5 Å²	65.5	69%	0.687	33%	0.327	S	S	*	.	H	α-helix	trans	-65.5	-40.4	179.1	-62.9	171.3	173.2	0	0	112.6	N374 R378 S379 N380	N374-E376 PolarHBondContact O-N 3.1Å; N374-E376 PolarHBondContact OD1-N 2.91Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.24Å; E376-S379 WeakPolarHBondContact CA-OG 3.41Å; E376-S379 PolarHBondContact O-N 3.36Å; E376-S379 PolarHBondContact O-OG 2.7Å; E376-N380 PolarHBondContact O-N 3.07Å
377	M	77.5	Confident	81.1	Confident	29 Å²	29	65.3 Å²	65.3	14%	0.143	33%	0.326	C	S	.	.	H	α-helix	trans	-65.6	-37.9	174.7	-69.2	158.7	89.9	0	0	110.7	M231 R260 L373 N374 S379 N380 L383	M231-M377 HydrophobicContact CE-CE 3.03Å; M231-M377 HydrophobicContact CG-CE 4.45Å; M231-M377 HydrophobicContact SD-CE 3.62Å; R260-M377 HydrophobicContact CG-CE 4.05Å; L373-M377 HydrophobicContact CB-CB 4.39Å; L373-M377 HydrophobicContact CD2-CB 4.11Å; L373-M377 HydrophobicContact CD2-CE 3.59Å; L373-M377 HydrophobicContact CD2-SD 4.35Å; N374-M377 HydrophobicContact CB-SD 4.26Å; N374-M377 VanDerWaalsContact CG-SD 3.55Å; N374-M377 PolarHBondContact O-N 3.31Å; N374-M377 WeakPolarHBondContact OD1-CB 3.2Å; N374-M377 WeakPolarHBondContact OD1-CG 3.45Å; N374-M377 PolarHBondContact OD1-N 3.1Å; N374-M377 PolarHBondContact OD1-SD 3.23Å; M377-S379 VanDerWaalsContact C-N 3.31Å; M377-S379 PolarHBondContact O-N 3.13Å; M377-N380 PolarHBondContact O-N 2.97Å; M377-L383 HydrophobicContact CB-CD2 3.64Å; M377-L383 HydrophobicContact CE-CD2 4.49Å; M377-L383 HydrophobicContact CG-CD2 4.11Å; M377-L383 WeakPolarHBondContact O-CD2 3.47Å
378	R	75.6	Confident	80.5	Confident	166 Å²	166	65.2 Å²	65.2	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-68.5	-30	176.1	-69.9	176.1	-162.1	179.9	5.3	112.6	L373 N374 A375 E376 M384	L373-R378 HydrophobicContact CB-CG 3.86Å; L373-R378 HydrophobicContact CD1-CG 4.26Å; L373-R378 PolarHBondContact O-NE 3.11Å; L373-R378 PolarHBondContact O-NH2 2.98Å; N374-R378 VanDerWaalsContact O-CG 3.32Å; N374-R378 WeakPolarHBondContact O-CG 3.27Å; N374-R378 PolarHBondContact O-N 3.17Å; N374-R378 VanDerWaalsContact O-N 3.12Å; A375-R378 PolarHBondContact O-N 2.9Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.24Å; R378-M384 WeakPolarHBondContact O-CG 3.34Å
379	S	72.3	Confident	79.9	Confident	78 Å²	78	69.1 Å²	69.1	55%	0.545	36%	0.355	S	S	.	.	H	α-helix	trans	-80.7	-17.5	174.6	61.9	0	0	0	0	113	A375 E376 M377 F381	A375-S379 PolarHBondContact O-N 3.44Å; A375-S379 PolarHBondContact O-OG 3.32Å; E376-S379 WeakPolarHBondContact CA-OG 3.41Å; E376-S379 PolarHBondContact O-N 3.36Å; E376-S379 PolarHBondContact O-OG 2.7Å; M377-S379 VanDerWaalsContact C-N 3.31Å; M377-S379 PolarHBondContact O-N 3.13Å; S379-F381 WeakPolarHBondContact O-CD2 3.19Å; S379-F381 PolarHBondContact O-N 3.33Å; S379-F381 VanDerWaalsContact O-N 3.07Å
380	N	79.6	Confident	79.3	Confident	60 Å²	60	72.1 Å²	72.1	32%	0.321	37%	0.367	S	S	.	.			trans	-70.9	101.7	172.8	-172.9	-31	0	0	0	111.3	E376 M377 Q382 L383 M384	E376-N380 PolarHBondContact O-N 3.07Å; M377-N380 PolarHBondContact O-N 2.97Å; N380-Q382 VanDerWaalsContact C-N 3.31Å; N380-Q382 PolarHBondContact O-N 2.77Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.41Å; N380-Q382 PolarHBondContact OD1-N 3.46Å; N380-L383 HydrophobicContact CB-CB 4.08Å; N380-L383 PolarHBondContact O-N 2.97Å; N380-L383 PolarHBondContact OD1-N 3.26Å; N380-L383 VanDerWaalsContact OD1-N 3.13Å; N380-M384 WeakPolarHBondContact O-CG 3.48Å; N380-M384 PolarHBondContact O-N 3.46Å
381	F	78.2	Confident	79.1	Confident	182 Å²	182	74.1 Å²	74.1	80%	0.798	38%	0.379	S	S	*	.	H	α-helix	trans	-61.8	-33.4	-179.5	-73.5	-82.4	0	0	0	114.1	S379 R385	S379-F381 WeakPolarHBondContact O-CD2 3.19Å; S379-F381 PolarHBondContact O-N 3.33Å; S379-F381 VanDerWaalsContact O-N 3.07Å; F381-R385 WeakPolarHBondContact O-CB 3.45Å; F381-R385 PolarHBondContact O-N 2.78Å
382	Q	83.5	Confident	79.1	Confident	142 Å²	142	80 Å²	80	66%	0.664	40%	0.399	S	S	*	.	H	α-helix	trans	-68.9	-47.3	-179.9	-66.4	176	-15.3	0	0	110.3	F229 N380 R385 A386	F229-Q382 HydrophobicContact CE1-CB 4.35Å; F229-Q382 HydrophobicContact CZ-CB 3.95Å; N380-Q382 VanDerWaalsContact C-N 3.31Å; N380-Q382 PolarHBondContact O-N 2.77Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.41Å; N380-Q382 PolarHBondContact OD1-N 3.46Å; Q382-R385 PolarHBondContact O-N 2.73Å; Q382-A386 WeakPolarHBondContact O-CB 3.22Å; Q382-A386 PolarHBondContact O-N 2.86Å
383	L	84	Confident	79.3	Confident	3 Å²	3	78.8 Å²	78.8	2%	0.016	39%	0.386	C	S	.	.	H	α-helix	trans	-58.9	-50.5	174.1	169.4	61.2	0	0	0	111.4	F229 M231 L373 M377 N380 R385 A386 M387	F229-L383 HydrophobicContact CB-CD1 3.73Å; F229-L383 HydrophobicContact CD1-CB 3.92Å; F229-L383 HydrophobicContact CD1-CD1 4.15Å; F229-L383 HydrophobicContact CD2-CD1 3.96Å; F229-L383 HydrophobicContact CE1-CB 3.95Å; F229-L383 HydrophobicContact CG-CB 4.28Å; F229-L383 HydrophobicContact CG-CD1 3.69Å; F229-L383 HydrophobicContact CZ-CB 4.34Å; M231-L383 HydrophobicContact CE-CD1 3.41Å; M231-L383 VanDerWaalsContact CE-CD1 3.41Å; M231-L383 HydrophobicContact CE-CD2 3.36Å; M231-L383 HydrophobicContact CE-CG 4.02Å; M231-L383 HydrophobicContact SD-CD1 3.78Å; M231-L383 HydrophobicContact SD-CD2 4.28Å; L373-L383 HydrophobicContact CD2-CD2 4.35Å; M377-L383 HydrophobicContact CB-CD2 3.64Å; M377-L383 HydrophobicContact CE-CD2 4.49Å; M377-L383 HydrophobicContact CG-CD2 4.11Å; M377-L383 WeakPolarHBondContact O-CD2 3.47Å; N380-L383 HydrophobicContact CB-CB 4.08Å; N380-L383 PolarHBondContact O-N 2.97Å; N380-L383 PolarHBondContact OD1-N 3.26Å; N380-L383 VanDerWaalsContact OD1-N 3.13Å; L383-R385 PolarHBondContact O-N 3.14Å; L383-A386 PolarHBondContact O-N 2.9Å; L383-M387 HydrophobicContact CD1-CE 4.43Å; L383-M387 WeakPolarHBondContact O-CB 3.27Å; L383-M387 PolarHBondContact O-N 2.83Å
384	M	83.5	Confident	79.7	Confident	65 Å²	65	81.7 Å²	81.7	32%	0.32	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-32.7	-179.8	-71.2	-55.4	-56.9	0	0	111.8	L373 R378 N380 S388	L373-M384 HydrophobicContact CD1-SD 3.75Å; R378-M384 WeakPolarHBondContact O-CG 3.34Å; N380-M384 WeakPolarHBondContact O-CG 3.48Å; N380-M384 PolarHBondContact O-N 3.46Å; M384-S388 WeakPolarHBondContact O-CB 3.25Å; M384-S388 PolarHBondContact O-N 2.86Å; M384-S388 PolarHBondContact O-OG 2.82Å
385	R	83.5	Confident	80.4	Confident	200 Å²	200	79.2 Å²	79.2	76%	0.755	39%	0.389	S	S	*	.	H	α-helix	trans	-67	-49.9	173.4	-176	178.9	176.4	-172.2	-2.3	111.4	F381 Q382 L383 M387 S388 S389	F381-R385 WeakPolarHBondContact O-CB 3.45Å; F381-R385 PolarHBondContact O-N 2.78Å; Q382-R385 PolarHBondContact O-N 2.73Å; L383-R385 PolarHBondContact O-N 3.14Å; R385-M387 VanDerWaalsContact C-N 3.32Å; R385-M387 PolarHBondContact O-N 3.33Å; R385-S388 WeakPolarHBondContact CA-OG 3.3Å; R385-S388 PolarHBondContact O-N 3.47Å; R385-S388 VanDerWaalsContact O-N 3.13Å; R385-S388 PolarHBondContact O-OG 3.25Å; R385-S389 PolarHBondContact O-N 2.91Å; R385-S389 VanDerWaalsContact O-N 3.15Å
386	A	83.7	Confident	81.4	Confident	23 Å²	23	82 Å²	82	19%	0.19	39%	0.386	C	S	.	.	H	α-helix	trans	-61.7	-38.2	177.2	0	0	0	0	0	112.2	F229 Q382 L383 S389 Y390	F229-A386 HydrophobicContact CD2-CB 4.42Å; F229-A386 HydrophobicContact CE2-CB 3.87Å; Q382-A386 WeakPolarHBondContact O-CB 3.22Å; Q382-A386 PolarHBondContact O-N 2.86Å; L383-A386 PolarHBondContact O-N 2.9Å; A386-S389 PolarHBondContact O-OG 3.34Å; A386-Y390 WeakPolarHBondContact O-CD2 3.47Å; A386-Y390 WeakPolarHBondContact O-CE2 3.42Å
387	M	83.3	Confident	82.2	Confident	11 Å²	11	79.8 Å²	79.8	5%	0.054	38%	0.375	C	S	.	.	H	α-helix	trans	-70.8	-36.8	173.7	-176.3	177.7	-64	0	0	111.9	M231 L233 V258 L373 L383 R385 S389 Y390 T391	M231-M387 HydrophobicContact SD-CE 4.16Å; L233-M387 HydrophobicContact CD1-CG 4.45Å; V258-M387 HydrophobicContact CB-CE 4.35Å; V258-M387 HydrophobicContact CG1-CE 3.7Å; V258-M387 HydrophobicContact CG2-CE 3.66Å; V258-M387 HydrophobicContact CG2-SD 3.71Å; L373-M387 HydrophobicContact CD1-CE 3.86Å; L373-M387 HydrophobicContact CD1-SD 3.87Å; L373-M387 HydrophobicContact CD2-CE 3.87Å; L373-M387 HydrophobicContact CG-CE 4.25Å; L383-M387 HydrophobicContact CD1-CE 4.43Å; L383-M387 WeakPolarHBondContact O-CB 3.27Å; L383-M387 PolarHBondContact O-N 2.83Å; R385-M387 VanDerWaalsContact C-N 3.32Å; R385-M387 PolarHBondContact O-N 3.33Å; M387-S389 VanDerWaalsContact C-N 3.28Å; M387-S389 PolarHBondContact O-N 2.76Å; M387-Y390 PolarHBondContact O-N 3.16Å; M387-T391 HydrophobicContact CG-CG2 3.96Å; M387-T391 WeakPolarHBondContact O-CG2 3.35Å; M387-T391 PolarHBondContact O-N 3.34Å; M387-T391 PolarHBondContact O-OG1 3Å
388	S	80.3	Confident	82.7	Confident	16 Å²	16	79.1 Å²	79.1	11%	0.112	37%	0.371	C	S	.	.	H	α-helix	trans	-65.9	-29.4	-178.8	74.7	0	0	0	0	113	M384 R385 Y390 T391 R392	M384-S388 WeakPolarHBondContact O-CB 3.25Å; M384-S388 PolarHBondContact O-N 2.86Å; M384-S388 PolarHBondContact O-OG 2.82Å; R385-S388 WeakPolarHBondContact CA-OG 3.3Å; R385-S388 PolarHBondContact O-N 3.47Å; R385-S388 VanDerWaalsContact O-N 3.13Å; R385-S388 PolarHBondContact O-OG 3.25Å; S388-Y390 VanDerWaalsContact C-N 3.25Å; S388-Y390 PolarHBondContact O-N 3.38Å; S388-T391 WeakPolarHBondContact CA-OG1 3.49Å; S388-T391 PolarHBondContact O-N 2.93Å; S388-R392 WeakPolarHBondContact O-CA 3.48Å; S388-R392 WeakPolarHBondContact O-CB 3.28Å; S388-R392 VanDerWaalsContact O-CG 3.31Å; S388-R392 WeakPolarHBondContact O-CG 3.42Å; S388-R392 PolarHBondContact O-N 3.16Å
389	S	78.8	Confident	83.3	Confident	82 Å²	82	71.5 Å²	71.5	57%	0.573	34%	0.343	S	S	*	.	H	α-helix	trans	-64.6	-31.1	175.8	55	0	0	0	0	112.5	R385 A386 M387	R385-S389 PolarHBondContact O-N 2.91Å; R385-S389 VanDerWaalsContact O-N 3.15Å; A386-S389 PolarHBondContact O-OG 3.34Å; M387-S389 VanDerWaalsContact C-N 3.28Å; M387-S389 PolarHBondContact O-N 2.76Å
390	Y	77.3	Confident	84.1	Confident	107 Å²	107	71.2 Å²	71.2	42%	0.42	34%	0.335	S	S	.	.	H	α-helix	trans	-87.2	-36.5	176.2	-60.7	-72.4	0	0	0	112.9	I224 I226 A386 M387 S388	I224-Y390 HydrophobicContact CD1-CD1 4.14Å; I224-Y390 HydrophobicContact CG2-CD1 4.21Å; I224-Y390 HydrophobicContact CG2-CE1 4.02Å; I226-Y390 HydrophobicContact CD1-CD2 4.1Å; I226-Y390 HydrophobicContact CD1-CE2 4.22Å; I226-Y390 HydrophobicContact CG1-CE2 4.36Å; A386-Y390 WeakPolarHBondContact O-CD2 3.47Å; A386-Y390 WeakPolarHBondContact O-CE2 3.42Å; M387-Y390 PolarHBondContact O-N 3.16Å; S388-Y390 VanDerWaalsContact C-N 3.25Å; S388-Y390 PolarHBondContact O-N 3.38Å
391	T	82.1	Confident	84.5	Confident	42 Å²	42	73.7 Å²	73.7	26%	0.258	34%	0.34	S	S	.	.	H	α-helix	trans	-88.6	-28.1	-173.7	54.7	0	0	0	0	113.9	L233 H256 M387 S388 M393	L233-T391 HydrophobicContact CD1-CG2 3.77Å; H256-T391 HydrophobicContact CB-CG2 4.15Å; M387-T391 HydrophobicContact CG-CG2 3.96Å; M387-T391 WeakPolarHBondContact O-CG2 3.35Å; M387-T391 PolarHBondContact O-N 3.34Å; M387-T391 PolarHBondContact O-OG1 3Å; S388-T391 WeakPolarHBondContact CA-OG1 3.49Å; S388-T391 PolarHBondContact O-N 2.93Å; T391-M393 PolarHBondContact O-N 3.15Å
392	R	84.1	Confident	85.1	Confident	139 Å²	139	65.1 Å²	65.1	53%	0.525	30%	0.303	S	S	.	.			trans	-87.8	92.5	177.3	-61.1	-178.3	-178.5	162.8	5.4	110.1	S388	S388-R392 WeakPolarHBondContact O-CA 3.48Å; S388-R392 WeakPolarHBondContact O-CB 3.28Å; S388-R392 VanDerWaalsContact O-CG 3.31Å; S388-R392 WeakPolarHBondContact O-CG 3.42Å; S388-R392 PolarHBondContact O-N 3.16Å
393	M	84.8	Confident	85.3	Confident	3 Å²	3	64 Å²	64	2%	0.015	29%	0.292	C	S	.	.			trans	-91.7	137.4	177.2	-66.4	175.7	-67.3	0	0	112	I254 T391 R398 R401 G769 T770	I254-M393 HydrophobicContact CB-CE 3.7Å; I254-M393 HydrophobicContact CD1-CE 3.69Å; I254-M393 HydrophobicContact CD1-SD 3.94Å; I254-M393 HydrophobicContact CG1-CE 4.3Å; I254-M393 HydrophobicContact CG2-CE 3.65Å; I254-M393 HydrophobicContact CG2-SD 4.43Å; T391-M393 PolarHBondContact O-N 3.15Å; M393-R398 HydrophobicContact CB-CB 4.39Å; M393-R401 PolarHBondContact SD-NH1 3.35Å; M393-R401 VanDerWaalsContact SD-NH1 3.41Å; M393-G769 CarbonylContact O-C 3.56Å; M393-G769 VanDerWaalsContact O-C 3.24Å; M393-G769 VanDerWaalsContact O-CA 3.24Å; M393-G769 WeakPolarHBondContact O-CA 3.47Å; M393-T770 PolarHBondContact O-N 2.78Å; M393-T770 PolarHBondContact O-OG1 3.15Å
394	N	87.6	Confident	85.6	Confident	86 Å²	86	66.7 Å²	66.7	46%	0.46	32%	0.315	S	S	.	.			trans	-65.4	145.8	166.8	-177.2	-60	0	0	0	109.6	K396 Q397 R398	N394-K396 VanDerWaalsContact C-N 3.32Å; N394-K396 PolarHBondContact O-N 3.35Å; N394-K396 PolarHBondContact OD1-N 3.31Å; N394-K396 VanDerWaalsContact OD1-N 3.1Å; N394-Q397 HydrophobicContact CB-CG 4.37Å; N394-Q397 PolarHBondContact O-N 3.38Å; N394-Q397 VanDerWaalsContact O-N 3.16Å; N394-R398 PolarHBondContact O-N 2.68Å
395	P	89.5	Confident	85.9	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-37.7	-53.4	172.3	-38.3	40	0	0	0	115.7	Q397 R398 T399 F735 G738 N740 G769	P395-Q397 PolarHBondContact O-N 3.05Å; P395-R398 WeakPolarHBondContact O-CB 3.39Å; P395-R398 PolarHBondContact O-N 2.99Å; P395-R398 VanDerWaalsContact O-N 3.11Å; P395-T399 PolarHBondContact O-N 3.21Å; P395-T399 PolarHBondContact O-OG1 2.74Å; P395-T399 VanDerWaalsContact O-OG1 3.1Å; P395-F735 HydrophobicContact CB-CD1 3.7Å; P395-F735 HydrophobicContact CB-CE1 3.99Å; P395-F735 HydrophobicContact CG-CD1 4.25Å; P395-F735 HydrophobicContact CG-CE1 4.43Å; P395-G738 VanDerWaalsContact CB-O 3.28Å; P395-G738 WeakPolarHBondContact CB-O 3.21Å; P395-N740 HydrophobicContact CG-CB 4.32Å; P395-N740 VanDerWaalsContact CG-CG 3.44Å; P395-N740 WeakPolarHBondContact CG-OD1 3.47Å; P395-G769 WeakPolarHBondContact CD-O 3.41Å
396	K	88.1	Confident	86.2	Confident	140 Å²	140	54.3 Å²	54.3	61%	0.609	27%	0.265	S	S	*	.	H	α-helix	trans	-59.3	-50.6	-178.4	-174.8	174.7	-179.5	178	0	112.1	N394 R398 T399 D400 G738	N394-K396 VanDerWaalsContact C-N 3.32Å; N394-K396 PolarHBondContact O-N 3.35Å; N394-K396 PolarHBondContact OD1-N 3.31Å; N394-K396 VanDerWaalsContact OD1-N 3.1Å; K396-R398 PolarHBondContact O-N 2.84Å; K396-T399 PolarHBondContact O-N 3.14Å; K396-D400 PolarHBondContact O-N 2.87Å; K396-G738 PolarHBondContact N-O 2.91Å
397	Q	88.5	Confident	86.6	Confident	101 Å²	101	58.7 Å²	58.7	47%	0.472	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-29.7	177.6	-66.8	178.9	-28.5	0	0	113.3	N394 P395 R401	N394-Q397 HydrophobicContact CB-CG 4.37Å; N394-Q397 PolarHBondContact O-N 3.38Å; N394-Q397 VanDerWaalsContact O-N 3.16Å; P395-Q397 PolarHBondContact O-N 3.05Å; Q397-R401 WeakPolarHBondContact O-CG 3.41Å; Q397-R401 PolarHBondContact O-N 2.96Å; Q397-R401 PolarHBondContact O-NH1 2.78Å; Q397-R401 VanDerWaalsContact O-NH1 3.1Å
398	R	89.4	Confident	87	Confident	15 Å²	15	62.2 Å²	62.2	6%	0.057	29%	0.294	C	S	.	.	H	α-helix	trans	-72.4	-51.4	174.7	-175.8	177.7	-68.1	-86.7	-2.9	109.5	E253 I254 M393 N394 P395 K396 D400 R401 L402 F735 T770	E253-R398 IonicContact OE1-CZ 2.78Å; E253-R398 IonicContact OE1-NH1 3.5Å; E253-R398 PolarHBondContact OE1-NH1 2.97Å; E253-R398 IonicContact OE2-CZ 3.45Å; E253-R398 IonicContact OE2-NH1 3.39Å; E253-R398 PolarHBondContact OE2-NH1 3.45Å; I254-R398 HydrophobicContact CD1-CG 3.92Å; I254-R398 HydrophobicContact CG1-CG 4.49Å; M393-R398 HydrophobicContact CB-CB 4.39Å; N394-R398 PolarHBondContact O-N 2.68Å; P395-R398 WeakPolarHBondContact O-CB 3.39Å; P395-R398 PolarHBondContact O-N 2.99Å; P395-R398 VanDerWaalsContact O-N 3.11Å; K396-R398 PolarHBondContact O-N 2.84Å; R398-D400 VanDerWaalsContact C-N 3.28Å; R398-D400 PolarHBondContact O-N 2.97Å; R398-R401 PolarHBondContact O-N 2.7Å; R398-R401 VanDerWaalsContact O-N 3.13Å; R398-L402 HydrophobicContact CG-CD1 3.74Å; R398-L402 WeakPolarHBondContact O-CD1 3.46Å; R398-L402 PolarHBondContact O-N 3.21Å; R398-F735 HydrophobicContact CG-CZ 4.31Å; R398-T770 PolarHBondContact NE-OG1 2.98Å
399	T	87.8	Confident	87.5	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.037	29%	0.29	C	S	.	.	H	α-helix	trans	-55.7	-42.1	177.1	-54.8	0	0	0	0	112.1	P395 K396 R401 L402 R403	P395-T399 PolarHBondContact O-N 3.21Å; P395-T399 PolarHBondContact O-OG1 2.74Å; P395-T399 VanDerWaalsContact O-OG1 3.1Å; K396-T399 PolarHBondContact O-N 3.14Å; T399-R401 PolarHBondContact O-N 3.38Å; T399-L402 PolarHBondContact O-N 3.29Å; T399-R403 WeakPolarHBondContact O-CG 3.14Å; T399-R403 PolarHBondContact O-N 2.97Å
400	D	88.6	Confident	88.1	Confident	71 Å²	71	59.8 Å²	59.8	38%	0.38	27%	0.272	S	S	.	.	H	α-helix	trans	-63.7	-41.7	178.3	-64.6	-24.8	0	0	0	112	K396 R398 R403 A404	K396-D400 PolarHBondContact O-N 2.87Å; R398-D400 VanDerWaalsContact C-N 3.28Å; R398-D400 PolarHBondContact O-N 2.97Å; D400-R403 PolarHBondContact O-N 2.84Å; D400-R403 IonicContact OD1-NH1 2.83Å; D400-R403 PolarHBondContact OD1-NH1 2.78Å; D400-A404 WeakPolarHBondContact O-CB 3.42Å; D400-A404 PolarHBondContact O-N 2.86Å
401	R	88.4	Confident	88.8	Confident	112 Å²	112	59.4 Å²	59.4	42%	0.423	28%	0.278	S	S	.	.	H	α-helix	trans	-66.7	-35.3	174.6	-78.2	-178.2	-177	89.1	-6	112.7	I254 M393 Q397 R398 T399 A404 F405	I254-R401 HydrophobicContact CD1-CB 3.38Å; I254-R401 HydrophobicContact CD1-CG 4.19Å; M393-R401 PolarHBondContact SD-NH1 3.35Å; M393-R401 VanDerWaalsContact SD-NH1 3.41Å; Q397-R401 WeakPolarHBondContact O-CG 3.41Å; Q397-R401 PolarHBondContact O-N 2.96Å; Q397-R401 PolarHBondContact O-NH1 2.78Å; Q397-R401 VanDerWaalsContact O-NH1 3.1Å; R398-R401 PolarHBondContact O-N 2.7Å; R398-R401 VanDerWaalsContact O-N 3.13Å; T399-R401 PolarHBondContact O-N 3.38Å; R401-A404 PolarHBondContact O-N 2.81Å; R401-F405 WeakPolarHBondContact O-CB 3.03Å; R401-F405 PolarHBondContact O-N 2.65Å
402	L	89.6	Confident	89.5	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-41.9	173.3	-89.1	81	0	0	0	111.6	N102 F104 T252 I254 R398 T399 F405 N406	N102-L402 HydrophobicContact CB-CD2 3.37Å; F104-L402 HydrophobicContact CZ-CB 4.31Å; T252-L402 WeakPolarHBondContact O-CD2 3.28Å; I254-L402 HydrophobicContact CD1-CD1 3.76Å; I254-L402 HydrophobicContact CG1-CD1 3.67Å; R398-L402 HydrophobicContact CG-CD1 3.74Å; R398-L402 WeakPolarHBondContact O-CD1 3.46Å; R398-L402 PolarHBondContact O-N 3.21Å; T399-L402 PolarHBondContact O-N 3.29Å; L402-F405 PolarHBondContact O-N 2.88Å; L402-N406 PolarHBondContact O-N 2.78Å
403	R	89.1	Confident	89.9	Confident	117 Å²	117	56 Å²	56	44%	0.442	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-42.4	174.3	-70.8	176.9	-175.7	148.7	-4.3	111.4	T399 D400 F405 N406 H407	T399-R403 WeakPolarHBondContact O-CG 3.14Å; T399-R403 PolarHBondContact O-N 2.97Å; D400-R403 PolarHBondContact O-N 2.84Å; D400-R403 IonicContact OD1-NH1 2.83Å; D400-R403 PolarHBondContact OD1-NH1 2.78Å; R403-F405 VanDerWaalsContact C-N 3.34Å; R403-F405 PolarHBondContact O-N 3.1Å; R403-N406 PolarHBondContact O-N 2.79Å; R403-H407 VanDerWaalsContact O-CB 3.32Å; R403-H407 WeakPolarHBondContact O-CB 3.25Å; R403-H407 PolarHBondContact O-N 2.9Å
404	A	89.8	Confident	90.2	Very high	60 Å²	60	61.3 Å²	61.3	50%	0.496	30%	0.298	S	S	.	.	H	α-helix	trans	-61.9	-41.2	175.8	0	0	0	0	0	112.1	D400 R401 H407 R408	D400-A404 WeakPolarHBondContact O-CB 3.42Å; D400-A404 PolarHBondContact O-N 2.86Å; R401-A404 PolarHBondContact O-N 2.81Å; A404-H407 PolarHBondContact O-N 3.2Å; A404-R408 WeakPolarHBondContact O-CB 3.01Å; A404-R408 PolarHBondContact O-N 3.02Å
405	F	88.8	Confident	90.4	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.009	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-49.2	173	169.9	-100	0	0	0	112.1	M205 L208 Y237 T252 R401 L402 R403 H407 R408 L409	M205-F405 HydrophobicContact CE-CE1 4.41Å; M205-F405 HydrophobicContact CE-CZ 3.79Å; M205-F405 HydrophobicContact SD-CE2 4.43Å; M205-F405 HydrophobicContact SD-CZ 3.89Å; L208-F405 HydrophobicContact CD1-CE2 3.76Å; L208-F405 HydrophobicContact CD1-CZ 4.37Å; Y237-F405 HydrophobicContact CD1-CB 4.24Å; Y237-F405 AromaticContact CD1-CD2 3.74Å; Y237-F405 HydrophobicContact CD1-CD2 3.74Å; Y237-F405 HydrophobicContact CD1-CE2 4.21Å; Y237-F405 AromaticContact CD1-CG 3.91Å; Y237-F405 HydrophobicContact CD1-CG 3.91Å; Y237-F405 AromaticContact CD2-CD2 3.61Å; Y237-F405 HydrophobicContact CD2-CD2 3.61Å; Y237-F405 AromaticContact CD2-CE2 3.67Å; Y237-F405 HydrophobicContact CD2-CE2 3.67Å; Y237-F405 HydrophobicContact CE1-CB 3.59Å; Y237-F405 AromaticContact CE1-CD2 3.62Å; Y237-F405 HydrophobicContact CE1-CD2 3.62Å; Y237-F405 HydrophobicContact CE1-CE2 4.48Å; Y237-F405 AromaticContact CE1-CG 3.71Å; Y237-F405 HydrophobicContact CE1-CG 3.71Å; Y237-F405 AromaticContact CE2-CD2 3.48Å; Y237-F405 HydrophobicContact CE2-CD2 3.48Å; Y237-F405 VanDerWaalsContact CE2-CD2 3.48Å; Y237-F405 AromaticContact CE2-CE2 3.99Å; Y237-F405 HydrophobicContact CE2-CE2 3.99Å; Y237-F405 HydrophobicContact CE2-CG 4.4Å; Y237-F405 AromaticContact CG-CD2 3.73Å; Y237-F405 HydrophobicContact CG-CD2 3.73Å; Y237-F405 AromaticContact CG-CE2 3.79Å; Y237-F405 HydrophobicContact CG-CE2 3.79Å; Y237-F405 HydrophobicContact CG-CG 4.33Å; Y237-F405 HydrophobicContact CG-CZ 4.43Å; Y237-F405 AromaticContact CZ-CD2 3.48Å; Y237-F405 VanDerWaalsContact CZ-CD2 3.48Å; Y237-F405 AromaticContact CZ-CG 3.97Å; T252-F405 HydrophobicContact CG2-CD1 3.77Å; T252-F405 HydrophobicContact CG2-CE1 3.63Å; T252-F405 HydrophobicContact CG2-CG 4.45Å; T252-F405 HydrophobicContact CG2-CZ 4.19Å; R401-F405 WeakPolarHBondContact O-CB 3.03Å; R401-F405 PolarHBondContact O-N 2.65Å; L402-F405 PolarHBondContact O-N 2.88Å; R403-F405 VanDerWaalsContact C-N 3.34Å; R403-F405 PolarHBondContact O-N 3.1Å; F405-H407 VanDerWaalsContact C-N 3.3Å; F405-H407 PolarHBondContact O-N 3.25Å; F405-R408 PolarHBondContact O-N 3.03Å; F405-L409 PolarHBondContact O-N 3.1Å
406	N	91.3	Very high	90.6	Very high	4 Å²	4	59 Å²	59	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-58.9	-45.1	178	-169.3	24.6	0	0	0	110.8	F104 L402 R403 R408 L409 Q410 L426 D427 K428	F104-N406 HydrophobicContact CD1-CB 4.39Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.22Å; F104-N406 HydrophobicContact CE1-CB 3.76Å; F104-N406 VanDerWaalsContact CE1-ND2 3.34Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.44Å; F104-N406 HydrophobicContact CE2-CB 4.31Å; F104-N406 HydrophobicContact CZ-CB 3.71Å; L402-N406 PolarHBondContact O-N 2.78Å; R403-N406 PolarHBondContact O-N 2.79Å; N406-R408 PolarHBondContact O-N 2.7Å; N406-L409 PolarHBondContact O-N 2.7Å; N406-Q410 WeakPolarHBondContact O-CG 3.35Å; N406-Q410 PolarHBondContact O-N 2.94Å; N406-Q410 PolarHBondContact OD1-NE2 2.91Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.33Å; N406-D427 PolarHBondContact ND2-O 2.82Å; N406-K428 WeakPolarHBondContact ND2-CA 3.49Å; N406-K428 PolarHBondContact ND2-O 3.32Å
407	H	92.3	Very high	90.7	Very high	115 Å²	115	58.6 Å²	58.6	53%	0.532	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-43.5	177.4	-167.8	62	0	0	0	112.1	R403 A404 F405 L409 Q410 N411	R403-H407 VanDerWaalsContact O-CB 3.32Å; R403-H407 WeakPolarHBondContact O-CB 3.25Å; R403-H407 PolarHBondContact O-N 2.9Å; A404-H407 PolarHBondContact O-N 3.2Å; F405-H407 VanDerWaalsContact C-N 3.3Å; F405-H407 PolarHBondContact O-N 3.25Å; H407-L409 PolarHBondContact O-N 3.1Å; H407-Q410 PolarHBondContact O-N 3.41Å; H407-N411 PolarHBondContact CD2-ND2 2.78Å; H407-N411 PolarHBondContact CE1-ND2 3.08Å; H407-N411 PolarHBondContact NE2-ND2 2.85Å; H407-N411 WeakPolarHBondContact O-CB 3.45Å; H407-N411 PolarHBondContact O-N 2.76Å; H407-N411 PolarHBondContact O-ND2 3.11Å
408	R	91.4	Very high	90.8	Very high	85 Å²	85	54.5 Å²	54.5	32%	0.321	27%	0.267	S	S	.	.	H	α-helix	trans	-59.1	-45.5	173.8	-179.4	-176.9	169.6	172	-5.7	111.5	L208 D219 A404 F405 N406 Q410 N411 T412	L208-R408 HydrophobicContact CD2-CG 3.82Å; L208-R408 PolarHBondContact O-NH2 3.34Å; D219-R408 IonicContact OD2-CZ 2.69Å; D219-R408 IonicContact OD2-NH1 3.73Å; D219-R408 PolarHBondContact OD2-NH1 3.21Å; D219-R408 IonicContact OD2-NH2 2.72Å; D219-R408 PolarHBondContact OD2-NH2 3.16Å; A404-R408 WeakPolarHBondContact O-CB 3.01Å; A404-R408 PolarHBondContact O-N 3.02Å; F405-R408 PolarHBondContact O-N 3.03Å; N406-R408 PolarHBondContact O-N 2.7Å; R408-Q410 VanDerWaalsContact C-N 3.33Å; R408-Q410 PolarHBondContact O-N 2.89Å; R408-N411 PolarHBondContact O-N 3.26Å; R408-T412 PolarHBondContact O-N 2.95Å; R408-T412 PolarHBondContact O-OG1 3.34Å
409	L	90	Very high	90.8	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-38.6	178.4	-173.5	70.9	0	0	0	112.1	M205 L208 F405 N406 H407 L426	M205-L409 HydrophobicContact CE-CD1 4.29Å; M205-L409 HydrophobicContact CE-CD2 3.94Å; M205-L409 HydrophobicContact SD-CD1 3.98Å; L208-L409 HydrophobicContact CD1-CB 4.45Å; L208-L409 HydrophobicContact CD1-CD1 3.72Å; L208-L409 HydrophobicContact CD2-CD1 4.2Å; L208-L409 HydrophobicContact CG-CD1 3.86Å; F405-L409 PolarHBondContact O-N 3.1Å; N406-L409 PolarHBondContact O-N 2.7Å; H407-L409 PolarHBondContact O-N 3.1Å; L409-L426 HydrophobicContact CD2-CD2 3.49Å; L409-L426 VanDerWaalsContact CD2-CD2 3.49Å; L409-L426 HydrophobicContact CG-CD2 4.41Å
410	Q	91.1	Very high	91	Very high	43 Å²	43	62.5 Å²	62.5	20%	0.201	30%	0.298	C	S	.	.	H	α-helix	trans	-77.6	-23.4	178.3	-69.6	-170.4	16.8	0	0	114.4	N406 H407 R408 V416 L426	N406-Q410 WeakPolarHBondContact O-CG 3.35Å; N406-Q410 PolarHBondContact O-N 2.94Å; N406-Q410 PolarHBondContact OD1-NE2 2.91Å; H407-Q410 PolarHBondContact O-N 3.41Å; R408-Q410 VanDerWaalsContact C-N 3.33Å; R408-Q410 PolarHBondContact O-N 2.89Å; Q410-V416 WeakPolarHBondContact O-CG2 3.19Å; Q410-L426 PolarHBondContact NE2-O 3.23Å; Q410-L426 VanDerWaalsContact NE2-O 3.09Å
411	N	93.6	Very high	91	Very high	100 Å²	100	60.5 Å²	60.5	54%	0.535	29%	0.287	S	S	.	.	H	α-helix	trans	-89.6	-9	176.3	-66.7	-14.6	0	0	0	112.9	H407 R408 P413	H407-N411 PolarHBondContact CD2-ND2 2.78Å; H407-N411 PolarHBondContact CE1-ND2 3.08Å; H407-N411 PolarHBondContact NE2-ND2 2.85Å; H407-N411 WeakPolarHBondContact O-CB 3.45Å; H407-N411 PolarHBondContact O-N 2.76Å; H407-N411 PolarHBondContact O-ND2 3.11Å; R408-N411 PolarHBondContact O-N 3.26Å; N411-P413 VanDerWaalsContact O-CD 3.29Å; N411-P413 WeakPolarHBondContact O-CD 3.34Å
412	T	94.9	Very high	91.1	Very high	22 Å²	22	55.2 Å²	55.2	14%	0.135	27%	0.267	C	S	.	.			trans	-87.7	106.5	179.4	-58.5	0	0	0	0	109.1	G207 L208 R408 E414 S415 V416	G207-T412 WeakPolarHBondContact O-CG2 3.33Å; L208-T412 HydrophobicContact CD2-CG2 4.33Å; L208-T412 WeakPolarHBondContact CD2-OG1 3.04Å; R408-T412 PolarHBondContact O-N 2.95Å; R408-T412 PolarHBondContact O-OG1 3.34Å; T412-E414 VanDerWaalsContact C-N 3.26Å; T412-E414 VanDerWaalsContact CG2-OE2 3.25Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.49Å; T412-E414 PolarHBondContact O-N 2.83Å; T412-S415 PolarHBondContact O-N 2.93Å; T412-S415 VanDerWaalsContact O-N 3.08Å; T412-V416 PolarHBondContact O-N 2.94Å
413	P	93.3	Very high	91.1	Very high	87 Å²	87	57.6 Å²	57.6	57%	0.565	28%	0.28	S	S	*	.	H	α-helix	trans	-62.6	-33.5	-171.1	24.8	-33	0	0	0	112.4	N411 S415 K417	N411-P413 VanDerWaalsContact O-CD 3.29Å; N411-P413 WeakPolarHBondContact O-CD 3.34Å; P413-S415 VanDerWaalsContact C-N 3.35Å; P413-S415 PolarHBondContact O-N 3.25Å; P413-K417 WeakPolarHBondContact O-CB 3.25Å; P413-K417 PolarHBondContact O-N 3.22Å
414	E	92.1	Very high	91.2	Very high	115 Å²	115	52.4 Å²	52.4	54%	0.537	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-41.2	176.5	-59	76.2	-165.2	0	0	111.5	T412 V418	T412-E414 VanDerWaalsContact C-N 3.26Å; T412-E414 VanDerWaalsContact CG2-OE2 3.25Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.49Å; T412-E414 PolarHBondContact O-N 2.83Å; E414-V418 WeakPolarHBondContact O-CG2 3.39Å; E414-V418 PolarHBondContact O-N 3.33Å
415	S	91.5	Very high	91.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-71.2	-44.2	179.2	-65.9	0	0	0	0	112	S204 G207 T412 P413 V418 L419	S204-S415 WeakPolarHBondContact O-CA 3.22Å; S204-S415 VanDerWaalsContact O-CB 3.3Å; S204-S415 WeakPolarHBondContact O-CB 3.48Å; S204-S415 PolarHBondContact O-OG 2.81Å; S204-S415 PolarHBondContact OG-O 2.81Å; G207-S415 WeakPolarHBondContact CA-OG 3.44Å; T412-S415 PolarHBondContact O-N 2.93Å; T412-S415 VanDerWaalsContact O-N 3.08Å; P413-S415 VanDerWaalsContact C-N 3.35Å; P413-S415 PolarHBondContact O-N 3.25Å; S415-V418 PolarHBondContact O-N 2.73Å; S415-L419 PolarHBondContact O-N 3.28Å
416	V	92.5	Very high	91.4	Very high	37 Å²	37	55.9 Å²	55.9	22%	0.224	27%	0.267	C	S	.	.	H	α-helix	trans	-66.7	-40.7	178.6	173.7	0	0	0	0	111.3	Q410 T412 V418 L419 R420	Q410-V416 WeakPolarHBondContact O-CG2 3.19Å; T412-V416 PolarHBondContact O-N 2.94Å; V416-V418 VanDerWaalsContact C-N 3.29Å; V416-V418 PolarHBondContact O-N 2.59Å; V416-L419 PolarHBondContact O-N 3.45Å; V416-L419 VanDerWaalsContact O-N 3.13Å; V416-R420 WeakPolarHBondContact O-CB 3.48Å; V416-R420 PolarHBondContact O-N 2.62Å
417	K	90.9	Very high	91.5	Very high	132 Å²	132	57 Å²	57	57%	0.574	27%	0.273	S	S	*	.	H	α-helix	trans	-54.1	-48	176.4	-178.9	176.3	178.6	178	0	110.6	P413 L419 R420 D421	P413-K417 WeakPolarHBondContact O-CB 3.25Å; P413-K417 PolarHBondContact O-N 3.22Å; K417-L419 VanDerWaalsContact C-N 3.33Å; K417-L419 PolarHBondContact O-N 3.09Å; K417-R420 PolarHBondContact O-N 3.5Å; K417-D421 VanDerWaalsContact O-CB 3.26Å; K417-D421 WeakPolarHBondContact O-CB 3.31Å; K417-D421 PolarHBondContact O-N 3.32Å
418	V	90.3	Very high	91.3	Very high	15 Å²	15	58.4 Å²	58.4	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-41	178.5	175.2	0	0	0	0	112.5	I200 R203 E414 S415 V416 W422	I200-V418 HydrophobicContact CG2-CG1 4.42Å; R203-V418 HydrophobicContact CB-CG1 4.03Å; R203-V418 HydrophobicContact CG-CG1 3.98Å; R203-V418 HydrophobicContact CG-CG2 3.99Å; E414-V418 WeakPolarHBondContact O-CG2 3.39Å; E414-V418 PolarHBondContact O-N 3.33Å; S415-V418 PolarHBondContact O-N 2.73Å; V416-V418 VanDerWaalsContact C-N 3.29Å; V416-V418 PolarHBondContact O-N 2.59Å; V418-W422 VanDerWaalsContact O-CD1 3.26Å
419	L	89.9	Confident	91	Very high	15 Å²	15	60.6 Å²	60.6	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-70.1	-44.1	178.4	-65.9	175.7	0	0	0	111.4	L106 I200 S415 V416 K417 D421 W422 N423 M424 L426	L106-L419 HydrophobicContact CD2-CD2 4.47Å; I200-L419 HydrophobicContact CG2-CD2 4.31Å; S415-L419 PolarHBondContact O-N 3.28Å; V416-L419 PolarHBondContact O-N 3.45Å; V416-L419 VanDerWaalsContact O-N 3.13Å; K417-L419 VanDerWaalsContact C-N 3.33Å; K417-L419 PolarHBondContact O-N 3.09Å; L419-D421 VanDerWaalsContact C-N 3.31Å; L419-D421 PolarHBondContact O-N 3.13Å; L419-W422 CarbonylContact O-C 3.57Å; L419-W422 PolarHBondContact O-N 2.86Å; L419-W422 VanDerWaalsContact O-N 3.09Å; L419-N423 PolarHBondContact O-N 3.08Å; L419-M424 CarbonylContact C-O 3.49Å; L419-M424 VanDerWaalsContact C-O 3.24Å; L419-M424 PolarHBondContact O-N 3.25Å; L419-M424 VanDerWaalsContact O-O 3.12Å; L419-L426 HydrophobicContact CD1-CB 4.3Å
420	R	90.8	Very high	91	Very high	175 Å²	175	61.4 Å²	61.4	66%	0.66	30%	0.3	S	S	*	.	H	α-helix	trans	-61.9	-39.4	177.4	-170.6	-176.8	-65.4	168.9	-0.3	111.8	V416 K417 W422 N423	V416-R420 WeakPolarHBondContact O-CB 3.48Å; V416-R420 PolarHBondContact O-N 2.62Å; K417-R420 PolarHBondContact O-N 3.5Å; R420-W422 PolarHBondContact O-N 2.89Å; R420-W422 VanDerWaalsContact O-N 3.17Å; R420-N423 WeakPolarHBondContact O-CA 3.41Å; R420-N423 PolarHBondContact O-N 3.09Å
421	D	89.5	Confident	91	Very high	28 Å²	28	60.3 Å²	60.3	15%	0.15	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-28.3	176.9	-74.1	-11.5	0	0	0	111.9	S144 G145 K417 L419	S144-D421 WeakPolarHBondContact O-CB 3.37Å; S144-D421 VanDerWaalsContact OG-CA 3.32Å; S144-D421 WeakPolarHBondContact OG-CA 3.43Å; S144-D421 PolarHBondContact OG-O 3.18Å; G145-D421 WeakPolarHBondContact CA-O 3.38Å; G145-D421 PolarHBondContact N-O 2.81Å; G145-D421 VanDerWaalsContact N-O 3.09Å; K417-D421 VanDerWaalsContact O-CB 3.26Å; K417-D421 WeakPolarHBondContact O-CB 3.31Å; K417-D421 PolarHBondContact O-N 3.32Å; L419-D421 VanDerWaalsContact C-N 3.31Å; L419-D421 PolarHBondContact O-N 3.13Å
422	W	90.1	Very high	90.9	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.008	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	8.5	175.7	-77.8	78.6	0	0	0	113.8	W112 I114 L147 F154 T156 V196 I200 V418 L419 R420 M424	W112-W422 HydrophobicContact CZ2-CE3 4.47Å; W112-W422 PolarHBondContact NE1-O 3.31Å; I114-W422 HydrophobicContact CG2-CZ3 4.42Å; L147-W422 HydrophobicContact CB-CZ2 4.28Å; L147-W422 HydrophobicContact CD1-CH2 4.31Å; L147-W422 HydrophobicContact CD1-CZ2 4.15Å; L147-W422 HydrophobicContact CG-CH2 4.18Å; L147-W422 HydrophobicContact CG-CZ2 3.66Å; F154-W422 HydrophobicContact CB-CH2 4.22Å; F154-W422 WeakPolarHBondContact O-CH2 3.28Å; T156-W422 HydrophobicContact CG2-CE3 3.85Å; T156-W422 HydrophobicContact CG2-CZ3 4.29Å; V196-W422 HydrophobicContact CG1-CH2 4.18Å; V196-W422 HydrophobicContact CG1-CZ3 4.12Å; I200-W422 HydrophobicContact CD1-CD2 3.39Å; I200-W422 HydrophobicContact CD1-CE3 3.32Å; I200-W422 HydrophobicContact CD1-CG 3.93Å; I200-W422 HydrophobicContact CD1-CH2 4.19Å; I200-W422 HydrophobicContact CD1-CZ2 4.27Å; I200-W422 HydrophobicContact CD1-CZ3 3.73Å; I200-W422 HydrophobicContact CG1-CD2 3.73Å; I200-W422 HydrophobicContact CG1-CE3 4.13Å; I200-W422 HydrophobicContact CG1-CG 4.12Å; I200-W422 HydrophobicContact CG1-CH2 4.46Å; I200-W422 HydrophobicContact CG1-CZ2 4.13Å; I200-W422 HydrophobicContact CG1-CZ3 4.46Å; I200-W422 HydrophobicContact CG2-CG 4.15Å; V418-W422 VanDerWaalsContact O-CD1 3.26Å; L419-W422 CarbonylContact O-C 3.57Å; L419-W422 PolarHBondContact O-N 2.86Å; L419-W422 VanDerWaalsContact O-N 3.09Å; R420-W422 PolarHBondContact O-N 2.89Å; R420-W422 VanDerWaalsContact O-N 3.17Å; W422-M424 VanDerWaalsContact C-N 3.25Å; W422-M424 HydrophobicContact CB-CG 3.97Å; W422-M424 HydrophobicContact CB-SD 4.15Å; W422-M424 WeakPolarHBondContact O-CG 3.22Å; W422-M424 PolarHBondContact O-N 2.85Å
423	N	89.7	Confident	90.9	Very high	53 Å²	53	59.8 Å²	59.8	28%	0.283	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	38.7	-173.5	-59	-82.3	0	0	0	112.9	K109 L419 R420	K109-N423 HydrophobicContact CD-CB 4.09Å; K109-N423 WeakPolarHBondContact CE-OD1 3.41Å; K109-N423 HydrophobicContact CG-CB 4.33Å; K109-N423 PolarHBondContact NZ-OD1 3.41Å; L419-N423 PolarHBondContact O-N 3.08Å; R420-N423 WeakPolarHBondContact O-CA 3.41Å; R420-N423 PolarHBondContact O-N 3.09Å
424	M	90.6	Very high	90.9	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.039	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.7	176.8	-50	-178.2	87	0	0	109.8	L106 K107 T108 W112 L197 I200 I248 L419 W422	L106-M424 HydrophobicContact CB-CE 4.18Å; L106-M424 HydrophobicContact CD2-CB 4.29Å; L106-M424 HydrophobicContact CD2-CE 3.34Å; L106-M424 HydrophobicContact CD2-SD 4Å; L106-M424 HydrophobicContact CG-CE 4.35Å; K107-M424 CarbonylContact O-C 3.57Å; K107-M424 WeakPolarHBondContact O-CA 3.33Å; T108-M424 HydrophobicContact CG2-CE 4Å; T108-M424 HydrophobicContact CG2-CG 4.27Å; W112-M424 HydrophobicContact CH2-CE 4.13Å; W112-M424 HydrophobicContact CH2-SD 4.48Å; W112-M424 HydrophobicContact CZ2-CE 4.16Å; W112-M424 HydrophobicContact CZ2-CG 4.29Å; W112-M424 HydrophobicContact CZ2-SD 4.03Å; L197-M424 HydrophobicContact CD2-CE 3.66Å; L197-M424 HydrophobicContact CD2-SD 4.35Å; I200-M424 HydrophobicContact CD1-SD 4.41Å; I200-M424 HydrophobicContact CG2-SD 4.38Å; I248-M424 HydrophobicContact CD1-CE 4.22Å; L419-M424 CarbonylContact C-O 3.49Å; L419-M424 VanDerWaalsContact C-O 3.24Å; L419-M424 PolarHBondContact O-N 3.25Å; L419-M424 VanDerWaalsContact O-O 3.12Å; W422-M424 VanDerWaalsContact C-N 3.25Å; W422-M424 HydrophobicContact CB-CG 3.97Å; W422-M424 HydrophobicContact CB-SD 4.15Å; W422-M424 WeakPolarHBondContact O-CG 3.22Å; W422-M424 PolarHBondContact O-N 2.85Å
425	E	92.1	Very high	91.1	Very high	125 Å²	125	56.2 Å²	56.2	58%	0.584	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.5	174.3	-170	-179.8	171.7	0	0	109.9	L106 K107	L106-E425 CarbonylContact C-O 3.55Å; L106-E425 WeakPolarHBondContact CA-O 3.33Å; K107-E425 HydrophobicContact CB-CB 4.44Å; K107-E425 PolarHBondContact N-O 2.87Å; K107-E425 PolarHBondContact O-N 2.79Å
426	L	92.3	Very high	91.4	Very high	9 Å²	9	57.1 Å²	57.1	5%	0.047	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128	178.3	-175.9	64.1	0	0	0	110.2	F104 L106 L250 N406 L409 Q410 L419 K428	F104-L426 HydrophobicContact CB-CD1 3.55Å; F104-L426 HydrophobicContact CB-CG 4.36Å; F104-L426 HydrophobicContact CG-CD1 4.45Å; L106-L426 HydrophobicContact CD1-CD1 3.48Å; L106-L426 VanDerWaalsContact CD1-CD1 3.48Å; L106-L426 HydrophobicContact CG-CD1 4.36Å; L250-L426 HydrophobicContact CB-CD1 4.44Å; L250-L426 HydrophobicContact CD2-CD1 4.02Å; L250-L426 HydrophobicContact CD2-CD2 4.44Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.33Å; L409-L426 HydrophobicContact CD2-CD2 3.49Å; L409-L426 VanDerWaalsContact CD2-CD2 3.49Å; L409-L426 HydrophobicContact CG-CD2 4.41Å; Q410-L426 PolarHBondContact NE2-O 3.23Å; Q410-L426 VanDerWaalsContact NE2-O 3.09Å; L419-L426 HydrophobicContact CD1-CB 4.3Å; L426-K428 PolarHBondContact O-N 2.86Å
427	D	92.2	Very high	91.6	Very high	27 Å²	27	57.1 Å²	57.1	14%	0.144	27%	0.267	C	S	.	.			trans	-65.7	134.3	176	-87.4	-13.3	0	0	0	112.3	R105 K107 N406 N429	R105-D427 HydrophobicContact CB-CB 4.22Å; R105-D427 WeakPolarHBondContact CB-OD2 3.4Å; R105-D427 WeakPolarHBondContact O-CB 3.35Å; R105-D427 PolarHBondContact O-N 2.81Å; K107-D427 WeakPolarHBondContact CD-OD1 3.31Å; K107-D427 VanDerWaalsContact CE-CG 3.49Å; K107-D427 WeakPolarHBondContact CE-OD1 3.44Å; K107-D427 WeakPolarHBondContact CE-OD2 3.49Å; K107-D427 IonicContact NZ-OD1 2.65Å; K107-D427 PolarHBondContact NZ-OD1 2.9Å; K107-D427 IonicContact NZ-OD2 3.68Å; N406-D427 PolarHBondContact ND2-O 2.82Å; D427-N429 VanDerWaalsContact C-N 3.28Å
428	K	88	Confident	91.8	Very high	146 Å²	146	51.5 Å²	51.5	64%	0.635	24%	0.243	S	C	*	.	S	Bend	trans	-65.7	-36.2	175.3	-73.7	173.9	-176.4	-178.1	0	111.8	N406 L426	N406-K428 WeakPolarHBondContact ND2-CA 3.49Å; N406-K428 PolarHBondContact ND2-O 3.32Å; L426-K428 PolarHBondContact O-N 2.86Å
429	N	86.3	Confident	91.9	Very high	130 Å²	130	53 Å²	53	70%	0.695	26%	0.261	S	S	*	.	S	Bend	trans	-90.7	148.1	-177.5	-59.7	-24.4	0	0	0	109.9	D427	D427-N429 VanDerWaalsContact C-N 3.28Å
430	V	88.6	Confident	92.2	Very high	20 Å²	20	56.9 Å²	56.9	12%	0.121	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-69	141.9	171.5	172.7	0	0	0	0	108.9	T101 F104 E432	T101-V430 VanDerWaalsContact C-CG1 3.49Å; T101-V430 WeakPolarHBondContact O-CG1 3.3Å; F104-V430 HydrophobicContact CD1-CG2 4.44Å; F104-V430 HydrophobicContact CE1-CG2 3.7Å; F104-V430 HydrophobicContact CZ-CG2 4.18Å; V430-E432 PolarHBondContact O-N 3.16Å
431	T	91.9	Very high	92.4	Very high	21 Å²	21	49.2 Å²	49.2	13%	0.129	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-64.1	127	174.6	-54.4	0	0	0	0	110.1	T101 F103 R105 L249 V433 V750	T101-T431 WeakPolarHBondContact CB-O 3.09Å; T101-T431 WeakPolarHBondContact CG2-O 3.43Å; T101-T431 PolarHBondContact N-O 3.06Å; T101-T431 VanDerWaalsContact N-O 3.09Å; T101-T431 PolarHBondContact OG1-O 3.21Å; F103-T431 PolarHBondContact O-N 3.34Å; F103-T431 PolarHBondContact O-OG1 3Å; R105-T431 PolarHBondContact N-OG1 3.35Å; L249-T431 HydrophobicContact CD2-CG2 4.47Å; T431-V433 HydrophobicContact CG2-CG2 4.44Å; T431-V750 HydrophobicContact CG2-CG1 3.97Å
432	E	91.9	Very high	92.7	Very high	108 Å²	108	50.2 Å²	50.2	51%	0.505	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	144.1	171.9	-57.4	-170.2	159.5	0	0	110.2	M98 L99 Q100 V430	M98-E432 HydrophobicContact CE-CB 3.6Å; L99-E432 CarbonylContact O-C 3.46Å; L99-E432 VanDerWaalsContact O-CA 3.29Å; L99-E432 WeakPolarHBondContact O-CA 3.15Å; Q100-E432 HydrophobicContact CG-CG 4.26Å; V430-E432 PolarHBondContact O-N 3.16Å
433	V	93.9	Very high	92.9	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.5	-177.1	-178	0	0	0	0	109.4	L99 T101 T431 G435 V747 V750 I751	L99-V433 PolarHBondContact N-O 2.8Å; L99-V433 PolarHBondContact O-N 3.47Å; T101-V433 HydrophobicContact CG2-CB 4.15Å; T101-V433 HydrophobicContact CG2-CG2 3.45Å; T101-V433 VanDerWaalsContact CG2-CG2 3.45Å; T431-V433 HydrophobicContact CG2-CG2 4.44Å; V433-G435 PolarHBondContact O-N 2.92Å; V433-V747 HydrophobicContact CG1-CG1 3.59Å; V433-V750 HydrophobicContact CB-CB 4.43Å; V433-V750 HydrophobicContact CG1-CB 3.92Å; V433-V750 HydrophobicContact CG1-CG2 4.05Å; V433-V750 HydrophobicContact CG2-CB 3.72Å; V433-V750 HydrophobicContact CG2-CG1 3.72Å; V433-V750 HydrophobicContact CG2-CG2 4.36Å; V433-I751 HydrophobicContact CG2-CG2 3.99Å
434	Q	94.8	Very high	93.2	Very high	127 Å²	127	49.4 Å²	49.4	59%	0.593	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	111.8	169.6	-168.9	177	22.4	0	0	108.8	M98	M98-Q434 HydrophobicContact SD-CB 3.99Å; M98-Q434 HydrophobicContact SD-CG 4.36Å
435	G	95.9	Very high	93.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-175.5	171.3	0	0	0	0	0	111.7	P96 V97 V433 I746	P96-G435 WeakPolarHBondContact CA-O 3.41Å; V97-G435 PolarHBondContact N-O 3.49Å; V97-G435 PolarHBondContact O-N 2.99Å; V433-G435 PolarHBondContact O-N 2.92Å; G435-I746 CarbonylContact C-O 3.56Å; G435-I746 WeakPolarHBondContact CA-O 3.41Å
436	R	96.6	Very high	93.4	Very high	20 Å²	20	48.5 Å²	48.5	8%	0.075	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146	-179.4	-46.4	-177.5	-64.1	93.3	-2.7	110.3	G91 D93 V95 T745 I746 D748	G91-R436 VanDerWaalsContact O-CD 3.31Å; G91-R436 WeakPolarHBondContact O-CD 2.92Å; G91-R436 PolarHBondContact O-NE 2.84Å; D93-R436 WeakPolarHBondContact O-CD 3.4Å; D93-R436 PolarHBondContact O-NH1 3.09Å; V95-R436 CarbonylContact O-C 3.37Å; V95-R436 VanDerWaalsContact O-CA 3.32Å; V95-R436 WeakPolarHBondContact O-CA 3.48Å; R436-T745 CarbonylContact O-C 3.59Å; R436-T745 VanDerWaalsContact O-CA 3.3Å; R436-T745 WeakPolarHBondContact O-CA 3.4Å; R436-I746 PolarHBondContact N-O 3.23Å; R436-I746 PolarHBondContact O-N 3.36Å; R436-D748 IonicContact NE-OD2 3.64Å; R436-D748 IonicContact NH2-OD2 2.89Å
437	I	97.1	Very high	93.2	Very high	36 Å²	36	52.9 Å²	52.9	19%	0.185	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.8	171.6	-57.1	171.2	0	0	0	108.3	G94 V95 V97 L736 P742	G94-I437 CarbonylContact C-O 3.24Å; G94-I437 VanDerWaalsContact CA-O 3.28Å; G94-I437 WeakPolarHBondContact CA-O 3.43Å; V95-I437 PolarHBondContact N-O 2.59Å; V95-I437 PolarHBondContact O-N 2.86Å; V97-I437 HydrophobicContact CG1-CD1 3.58Å; V97-I437 HydrophobicContact CG1-CG1 4.03Å; V97-I437 HydrophobicContact CG2-CD1 4.27Å; V97-I437 HydrophobicContact CG2-CG1 3.98Å; I437-L736 HydrophobicContact CD1-CD2 4.45Å; I437-P742 HydrophobicContact CD1-CG 3.59Å; I437-P742 HydrophobicContact CG1-CG 4.24Å; I437-P742 HydrophobicContact CG2-CG 4.47Å
438	I	95.3	Very high	93	Very high	14 Å²	14	53.6 Å²	53.6	7%	0.072	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-66.4	137.2	172.6	-61.2	-179.4	0	0	0	109	G744 I746 K792 Y795	I438-G744 PolarHBondContact N-O 2.93Å; I438-I746 HydrophobicContact CD1-CD1 3.3Å; I438-I746 HydrophobicContact CD1-CG1 4.29Å; I438-I746 HydrophobicContact CG1-CD1 3.8Å; I438-I746 HydrophobicContact CG1-CG1 4.49Å; I438-K792 HydrophobicContact CD1-CB 4.4Å; I438-K792 HydrophobicContact CG2-CG 4.49Å; I438-Y795 HydrophobicContact CB-CD1 4.09Å; I438-Y795 HydrophobicContact CB-CE1 4.36Å; I438-Y795 HydrophobicContact CD1-CD1 4.31Å; I438-Y795 HydrophobicContact CD1-CG 4.43Å; I438-Y795 HydrophobicContact CG2-CD1 3.93Å; I438-Y795 HydrophobicContact CG2-CE1 4.36Å
439	G	93.1	Very high	93.3	Very high	46 Å²	46	52.5 Å²	52.5	47%	0.474	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-54.9	157.4	174.4	0	0	0	0	0	113.7	Q441	G439-Q441 PolarHBondContact O-NE2 2.86Å
440	Q	94.6	Very high	93.7	Very high	97 Å²	97	47 Å²	47	45%	0.453	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-58.5	146.3	178.9	-62.7	178.3	8	0	0	111.1
441	Q	95.4	Very high	94	Very high	15 Å²	15	49.2 Å²	49.2	7%	0.07	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-102.3	146.2	178.7	-55.4	-59.7	-62.2	0	0	110.2	G439 A452 I601 Y795 K796	G439-Q441 PolarHBondContact O-NE2 2.86Å; Q441-A452 WeakPolarHBondContact O-CB 3.2Å; Q441-A452 PolarHBondContact O-N 2.77Å; Q441-I601 HydrophobicContact CB-CD1 3.55Å; Q441-I601 HydrophobicContact CG-CD1 4.49Å; Q441-Y795 HydrophobicContact CG-CD1 4Å; Q441-Y795 HydrophobicContact CG-CE1 3.98Å; Q441-K796 HydrophobicContact CG-CG 4.43Å; Q441-K796 VanDerWaalsContact OE1-CG 3.3Å
442	N	95.6	Very high	94	Very high	49 Å²	49	48.3 Å²	48.3	26%	0.262	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.1	178.1	-64.7	-45.2	0	0	0	111.3	K449 V450 I601 E602	N442-K449 HydrophobicContact CB-CB 4.47Å; N442-K449 HydrophobicContact CB-CD 4.3Å; N442-V450 CarbonylContact C-O 3.56Å; N442-V450 WeakPolarHBondContact CA-O 3.2Å; N442-I601 WeakPolarHBondContact O-CD1 3.37Å; N442-E602 PolarHBondContact ND2-OE2 2.83Å
443	I	96.2	Very high	94	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	120.7	174.6	-50.4	-56.2	0	0	0	108.6	F445 K449 V450 A452 W458 W599 M600 I601 H799	I443-F445 HydrophobicContact CB-CE2 4.16Å; I443-F445 HydrophobicContact CG2-CD2 4.27Å; I443-F445 HydrophobicContact CG2-CE2 3.6Å; I443-F445 HydrophobicContact CG2-CZ 4.02Å; I443-K449 CarbonylContact O-C 3.54Å; I443-K449 VanDerWaalsContact O-CA 3.23Å; I443-K449 WeakPolarHBondContact O-CA 3.23Å; I443-V450 HydrophobicContact CB-CG2 4.13Å; I443-V450 PolarHBondContact N-O 3.09Å; I443-V450 PolarHBondContact O-N 3.27Å; I443-A452 HydrophobicContact CD1-CB 4.47Å; I443-A452 HydrophobicContact CG1-CB 4.31Å; I443-W458 HydrophobicContact CD1-CD2 4.09Å; I443-W458 HydrophobicContact CD1-CE3 4Å; I443-W458 HydrophobicContact CD1-CH2 3.92Å; I443-W458 HydrophobicContact CD1-CZ2 4.02Å; I443-W458 HydrophobicContact CD1-CZ3 3.9Å; I443-W458 HydrophobicContact CG1-CD2 3.74Å; I443-W458 HydrophobicContact CG1-CE3 3.9Å; I443-W458 HydrophobicContact CG1-CG 4.04Å; I443-W458 HydrophobicContact CG1-CZ3 4.33Å; I443-W599 HydrophobicContact CG2-CB 3.65Å; I443-W599 HydrophobicContact CG2-CG 3.78Å; I443-M600 WeakPolarHBondContact CA-O 3.5Å; I443-I601 HydrophobicContact CD1-CD1 4.18Å; I443-H799 HydrophobicContact CD1-CB 4.23Å
444	V	95.6	Very high	93.7	Very high	38 Å²	38	52.1 Å²	52.1	23%	0.23	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.6	-176.6	-173.8	0	0	0	0	109.7	K449 L468 W599 M600 E602	V444-K449 HydrophobicContact CG2-CB 4.35Å; V444-L468 HydrophobicContact CG1-CD1 3.98Å; V444-W599 CarbonylContact O-C 3.52Å; V444-W599 WeakPolarHBondContact O-CA 3.48Å; V444-M600 HydrophobicContact CB-CB 4.29Å; V444-M600 PolarHBondContact N-O 2.95Å; V444-M600 PolarHBondContact O-N 2.81Å; V444-E602 HydrophobicContact CG2-CG 4.04Å
445	F	95.1	Very high	93.4	Very high	3 Å²	3	50.8 Å²	50.8	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-178.8	175	-73.8	-83.6	0	0	0	109.5	I443 N447 G448 V450 F462 Q465 R466 L468 W599	I443-F445 HydrophobicContact CB-CE2 4.16Å; I443-F445 HydrophobicContact CG2-CD2 4.27Å; I443-F445 HydrophobicContact CG2-CE2 3.6Å; I443-F445 HydrophobicContact CG2-CZ 4.02Å; F445-N447 PolarHBondContact O-N 3.12Å; F445-G448 PolarHBondContact N-O 2.82Å; F445-V450 HydrophobicContact CD2-CG2 4.06Å; F445-V450 HydrophobicContact CE2-CG2 3.62Å; F445-F462 AromaticContact CE1-CD1 3.76Å; F445-F462 HydrophobicContact CE1-CD1 3.76Å; F445-F462 AromaticContact CE1-CE1 3.37Å; F445-F462 HydrophobicContact CE1-CE1 3.37Å; F445-F462 HydrophobicContact CE1-CG 4.49Å; F445-F462 AromaticContact CE1-CZ 3.79Å; F445-F462 HydrophobicContact CE1-CZ 3.79Å; F445-F462 HydrophobicContact CZ-CD1 4.22Å; F445-F462 AromaticContact CZ-CE1 3.78Å; F445-F462 HydrophobicContact CZ-CE1 3.78Å; F445-F462 HydrophobicContact CZ-CE2 4.2Å; F445-F462 AromaticContact CZ-CZ 3.7Å; F445-F462 HydrophobicContact CZ-CZ 3.7Å; F445-Q465 HydrophobicContact CB-CB 4.41Å; F445-Q465 HydrophobicContact CD1-CB 3.98Å; F445-Q465 HydrophobicContact CD2-CB 4.4Å; F445-Q465 HydrophobicContact CD2-CG 4.42Å; F445-Q465 HydrophobicContact CE1-CB 4.32Å; F445-Q465 HydrophobicContact CG-CB 4.01Å; F445-Q465 HydrophobicContact CG-CG 4.43Å; F445-R466 WeakPolarHBondContact CD1-O 3.17Å; F445-L468 WeakPolarHBondContact O-CD1 3.07Å; F445-W599 HydrophobicContact CD1-CB 4.44Å; F445-W599 HydrophobicContact CE1-CB 4.08Å; F445-W599 HydrophobicContact CZ-CB 4.22Å
446	H	92	Very high	93.3	Very high	111 Å²	111	51 Å²	51	51%	0.514	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-45.3	-179.3	-173.5	71.1	0	0	0	112	R466 M467 L468	H446-R466 HydrophobicContact CB-CB 4.21Å; H446-R466 PolarHBondContact N-O 2.81Å; H446-M467 WeakPolarHBondContact CB-O 3.42Å; H446-L468 PolarHBondContact ND1-O 3.08Å
447	N	86.3	Confident	93.1	Very high	101 Å²	101	52.1 Å²	52.1	54%	0.54	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	63.1	-176.4	-66.5	-20.1	0	0	0	111.1	F445	F445-N447 PolarHBondContact O-N 3.12Å
448	G	89.6	Confident	93	Very high	42 Å²	42	50.4 Å²	50.4	43%	0.433	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	111.8	-161.7	173.2	0	0	0	0	0	114	F445	F445-G448 PolarHBondContact N-O 2.82Å
449	K	93.3	Very high	92.7	Very high	122 Å²	122	52.6 Å²	52.6	53%	0.53	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	148.3	-173.8	63.7	-170.7	-177.8	-175.8	0	111.1	N442 I443 V444 E602	N442-K449 HydrophobicContact CB-CB 4.47Å; N442-K449 HydrophobicContact CB-CD 4.3Å; I443-K449 CarbonylContact O-C 3.54Å; I443-K449 VanDerWaalsContact O-CA 3.23Å; I443-K449 WeakPolarHBondContact O-CA 3.23Å; V444-K449 HydrophobicContact CG2-CB 4.35Å; K449-E602 WeakPolarHBondContact CD-OE1 3.49Å; K449-E602 IonicContact NZ-OE1 3.73Å; K449-E602 PolarHBondContact NZ-OE1 2.95Å
450	V	94.6	Very high	92.4	Very high	16 Å²	16	60.4 Å²	60.4	10%	0.097	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.3	179.4	-59.6	0	0	0	0	110.2	N442 I443 F445 H461	N442-V450 CarbonylContact C-O 3.56Å; N442-V450 WeakPolarHBondContact CA-O 3.2Å; I443-V450 HydrophobicContact CB-CG2 4.13Å; I443-V450 PolarHBondContact N-O 3.09Å; I443-V450 PolarHBondContact O-N 3.27Å; F445-V450 HydrophobicContact CD2-CG2 4.06Å; F445-V450 HydrophobicContact CE2-CG2 3.62Å; V450-H461 HydrophobicContact CG2-CB 4.05Å
451	P	94.6	Very high	92	Very high	65 Å²	65	59.2 Å²	59.2	42%	0.422	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	146.7	172.9	29.4	-34.2	0	0	0	110.5	G453	P451-G453 PolarHBondContact O-N 3.39Å
452	A	92.4	Very high	91.4	Very high	2 Å²	2	58.6 Å²	58.6	2%	0.017	30%	0.301	C	S	.	.			trans	-67.4	-15.6	176	0	0	0	0	0	113.9	Q441 I443 A456 D457 W458	Q441-A452 WeakPolarHBondContact O-CB 3.2Å; Q441-A452 PolarHBondContact O-N 2.77Å; I443-A452 HydrophobicContact CD1-CB 4.47Å; I443-A452 HydrophobicContact CG1-CB 4.31Å; A452-A456 WeakPolarHBondContact O-CA 3.1Å; A452-D457 PolarHBondContact O-N 3.3Å; A452-W458 HydrophobicContact CB-CE3 3.86Å; A452-W458 HydrophobicContact CB-CZ3 4.09Å
453	G	91.4	Very high	90.6	Very high	29 Å²	29	65.4 Å²	65.4	30%	0.299	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	173.2	-175.6	0	0	0	0	0	113.7	P451 N455 A456	P451-G453 PolarHBondContact O-N 3.39Å; G453-N455 VanDerWaalsContact C-N 3.27Å; G453-N455 PolarHBondContact O-N 3.27Å; G453-A456 PolarHBondContact O-N 2.94Å; G453-A456 VanDerWaalsContact O-N 3.08Å
454	E	87.7	Confident	89.8	Confident	161 Å²	161	72 Å²	72	75%	0.752	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-35.7	-176.4	-63.5	-179.1	170	0	0	112.8	A456	E454-A456 VanDerWaalsContact C-N 3.29Å; E454-A456 PolarHBondContact O-N 2.9Å
455	N	88.8	Confident	89.4	Confident	100 Å²	100	72.2 Å²	72.2	54%	0.535	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-2	179.3	-75.9	-29.5	0	0	0	113	G453 D457 Q765	G453-N455 VanDerWaalsContact C-N 3.27Å; G453-N455 PolarHBondContact O-N 3.27Å; N455-D457 VanDerWaalsContact C-N 3.26Å; N455-D457 PolarHBondContact O-N 2.86Å; N455-Q765 WeakPolarHBondContact O-CG 3.41Å; N455-Q765 PolarHBondContact O-NE2 3.25Å; N455-Q765 PolarHBondContact OD1-OE1 3.29Å
456	A	93.9	Very high	89.4	Confident	3 Å²	3	78.8 Å²	78.8	3%	0.025	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	45.5	-176.8	0	0	0	0	0	113.3	A452 G453 E454 P743 G806 T807	A452-A456 WeakPolarHBondContact O-CA 3.1Å; G453-A456 PolarHBondContact O-N 2.94Å; G453-A456 VanDerWaalsContact O-N 3.08Å; E454-A456 VanDerWaalsContact C-N 3.29Å; E454-A456 PolarHBondContact O-N 2.9Å; A456-P743 HydrophobicContact CB-CB 3.68Å; A456-P743 HydrophobicContact CB-CG 3.88Å; A456-G806 CarbonylContact O-C 3.58Å; A456-G806 WeakPolarHBondContact O-CA 3.48Å; A456-T807 HydrophobicContact CB-CG2 3.76Å; A456-T807 WeakPolarHBondContact CB-OG1 3.35Å; A456-T807 PolarHBondContact O-N 3.47Å; A456-T807 VanDerWaalsContact O-N 3.11Å
457	D	93.3	Very high	89.5	Confident	44 Å²	44	73.6 Å²	73.6	24%	0.235	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-133.4	118.2	177.3	-177.8	-46.9	0	0	0	108.2	A452 N455 Q459	A452-D457 PolarHBondContact O-N 3.3Å; N455-D457 VanDerWaalsContact C-N 3.26Å; N455-D457 PolarHBondContact O-N 2.86Å; D457-Q459 VanDerWaalsContact OD1-CB 3.3Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.41Å; D457-Q459 PolarHBondContact OD1-N 3.35Å
458	W	93.8	Very high	89.9	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.339	C	S	.	.			trans	-114.9	21.6	-177	55.5	94	0	0	0	112.3	I443 A452 R460 H461 F462 W599 H799 S805 G806	I443-W458 HydrophobicContact CD1-CD2 4.09Å; I443-W458 HydrophobicContact CD1-CE3 4Å; I443-W458 HydrophobicContact CD1-CH2 3.92Å; I443-W458 HydrophobicContact CD1-CZ2 4.02Å; I443-W458 HydrophobicContact CD1-CZ3 3.9Å; I443-W458 HydrophobicContact CG1-CD2 3.74Å; I443-W458 HydrophobicContact CG1-CE3 3.9Å; I443-W458 HydrophobicContact CG1-CG 4.04Å; I443-W458 HydrophobicContact CG1-CZ3 4.33Å; A452-W458 HydrophobicContact CB-CE3 3.86Å; A452-W458 HydrophobicContact CB-CZ3 4.09Å; W458-R460 PolarHBondContact O-N 2.87Å; W458-R460 VanDerWaalsContact O-N 3.13Å; W458-H461 PolarHBondContact O-N 2.93Å; W458-F462 AromaticContact CD1-CE2 3.34Å; W458-F462 AromaticContact CD1-CZ 3.75Å; W458-F462 HydrophobicContact CG-CE2 4.47Å; W458-F462 AromaticContact NE1-CE2 3.75Å; W458-F462 AromaticContact NE1-CZ 3.82Å; W458-W599 AromaticContact CZ2-CE2 3.74Å; W458-W599 AromaticContact CZ2-CZ2 3.81Å; W458-W599 HydrophobicContact CZ2-CZ2 3.81Å; W458-W599 AromaticContact CZ2-NE1 3.53Å; W458-W599 AromaticContact NE1-CD2 3.85Å; W458-W599 AromaticContact NE1-CE2 3.66Å; W458-W599 AromaticContact NE1-CZ2 3.91Å; W458-W599 AromaticContact NE1-NE1 3.98Å; W458-H799 HydrophobicContact CH2-CB 3.88Å; W458-H799 AromaticContact CH2-CD2 3.8Å; W458-H799 WeakPolarHBondContact CZ2-O 3.33Å; W458-H799 AromaticContact CZ3-CD2 3.65Å; W458-S805 PolarHBondContact N-O 3.21Å; W458-G806 VanDerWaalsContact CH2-CA 3.4Å; W458-G806 WeakPolarHBondContact CH2-O 3.24Å
459	Q	89.4	Confident	90.2	Very high	61 Å²	61	70.5 Å²	70.5	29%	0.285	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-56.4	-34.9	-177.9	-164.2	-173.8	-47.5	0	0	112.3	D457 H461 K585 S805	D457-Q459 VanDerWaalsContact OD1-CB 3.3Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.41Å; D457-Q459 PolarHBondContact OD1-N 3.35Å; Q459-H461 VanDerWaalsContact C-N 3.3Å; Q459-H461 PolarHBondContact O-N 3.39Å; Q459-K585 VanDerWaalsContact OE1-CE 3.28Å; Q459-S805 VanDerWaalsContact CB-OG 3.23Å; Q459-S805 WeakPolarHBondContact CB-OG 3.37Å; Q459-S805 WeakPolarHBondContact CG-OG 3.26Å
460	R	86.6	Confident	90.2	Very high	209 Å²	209	66.9 Å²	66.9	79%	0.789	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-68.3	-29.8	-177.7	-63.6	-178.4	-178.4	-177.9	-0.1	112.5	W458 F462 R463	W458-R460 PolarHBondContact O-N 2.87Å; W458-R460 VanDerWaalsContact O-N 3.13Å; R460-F462 VanDerWaalsContact C-N 3.31Å; R460-F462 PolarHBondContact O-N 3.44Å; R460-R463 PolarHBondContact O-N 2.96Å
461	H	87.4	Confident	90.2	Very high	72 Å²	72	66.7 Å²	66.7	33%	0.333	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-72.3	-20.8	-176.1	-65.6	-66.1	0	0	0	113.6	V450 W458 Q459 R463 D464 Q465	V450-H461 HydrophobicContact CG2-CB 4.05Å; W458-H461 PolarHBondContact O-N 2.93Å; Q459-H461 VanDerWaalsContact C-N 3.3Å; Q459-H461 PolarHBondContact O-N 3.39Å; H461-R463 PolarHBondContact O-N 3.36Å; H461-D464 PolarHBondContact O-N 2.88Å; H461-Q465 VanDerWaalsContact O-CB 3.29Å; H461-Q465 WeakPolarHBondContact O-CB 3.48Å; H461-Q465 VanDerWaalsContact O-CG 3.23Å; H461-Q465 WeakPolarHBondContact O-CG 3.46Å; H461-Q465 PolarHBondContact O-N 3.47Å
462	F	82.5	Confident	89.9	Confident	3 Å²	3	68.3 Å²	68.3	1%	0.013	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-66.5	-13.8	175.8	-72	-85.8	0	0	0	114.6	F445 W458 R460 D464 M504 T584 I588 W599	F445-F462 AromaticContact CE1-CD1 3.76Å; F445-F462 HydrophobicContact CE1-CD1 3.76Å; F445-F462 AromaticContact CE1-CE1 3.37Å; F445-F462 HydrophobicContact CE1-CE1 3.37Å; F445-F462 HydrophobicContact CE1-CG 4.49Å; F445-F462 AromaticContact CE1-CZ 3.79Å; F445-F462 HydrophobicContact CE1-CZ 3.79Å; F445-F462 HydrophobicContact CZ-CD1 4.22Å; F445-F462 AromaticContact CZ-CE1 3.78Å; F445-F462 HydrophobicContact CZ-CE1 3.78Å; F445-F462 HydrophobicContact CZ-CE2 4.2Å; F445-F462 AromaticContact CZ-CZ 3.7Å; F445-F462 HydrophobicContact CZ-CZ 3.7Å; W458-F462 AromaticContact CD1-CE2 3.34Å; W458-F462 AromaticContact CD1-CZ 3.75Å; W458-F462 HydrophobicContact CG-CE2 4.47Å; W458-F462 AromaticContact NE1-CE2 3.75Å; W458-F462 AromaticContact NE1-CZ 3.82Å; R460-F462 VanDerWaalsContact C-N 3.31Å; R460-F462 PolarHBondContact O-N 3.44Å; F462-D464 VanDerWaalsContact C-N 3.3Å; F462-M504 HydrophobicContact CB-SD 4.39Å; F462-M504 HydrophobicContact CD1-SD 4.23Å; F462-T584 HydrophobicContact CB-CG2 4.43Å; F462-I588 HydrophobicContact CD1-CD1 3.79Å; F462-I588 HydrophobicContact CD1-CG1 4.46Å; F462-I588 HydrophobicContact CD2-CD1 4.47Å; F462-I588 HydrophobicContact CE1-CD1 3.88Å; F462-I588 HydrophobicContact CG-CD1 4.12Å; F462-I588 HydrophobicContact CZ-CD1 4.33Å; F462-W599 AromaticContact CE1-CE3 3.57Å; F462-W599 HydrophobicContact CE1-CE3 3.57Å; F462-W599 AromaticContact CE1-CZ3 3.89Å; F462-W599 HydrophobicContact CE1-CZ3 3.89Å; F462-W599 HydrophobicContact CE2-CE3 4.31Å; F462-W599 HydrophobicContact CE2-CZ3 4.22Å; F462-W599 AromaticContact CZ-CD2 3.97Å; F462-W599 HydrophobicContact CZ-CD2 3.97Å; F462-W599 AromaticContact CZ-CE3 3.16Å; F462-W599 HydrophobicContact CZ-CE3 3.16Å; F462-W599 HydrophobicContact CZ-CH2 4.27Å; F462-W599 AromaticContact CZ-CZ3 3.35Å; F462-W599 HydrophobicContact CZ-CZ3 3.35Å
463	R	77.4	Confident	89.6	Confident	191 Å²	191	72.3 Å²	72.3	72%	0.721	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-70.1	-33	178.9	-67.8	-176.7	179.5	-177.1	-1	112.1	R460 H461	R460-R463 PolarHBondContact O-N 2.96Å; H461-R463 PolarHBondContact O-N 3.36Å
464	D	79.4	Confident	89.6	Confident	138 Å²	138	71 Å²	71	74%	0.738	34%	0.34	S	S	*	.	S	Bend	trans	-116	6.1	-171.4	-47.8	-43.6	0	0	0	111.9	H461 F462	H461-D464 PolarHBondContact O-N 2.88Å; F462-D464 VanDerWaalsContact C-N 3.3Å
465	Q	88.5	Confident	89.9	Confident	44 Å²	44	63.3 Å²	63.3	21%	0.206	30%	0.304	C	S	.	.			trans	-125.9	139.6	-174.6	-67.2	-63.9	-33.9	0	0	111.7	F445 H461	F445-Q465 HydrophobicContact CB-CB 4.41Å; F445-Q465 HydrophobicContact CD1-CB 3.98Å; F445-Q465 HydrophobicContact CD2-CB 4.4Å; F445-Q465 HydrophobicContact CD2-CG 4.42Å; F445-Q465 HydrophobicContact CE1-CB 4.32Å; F445-Q465 HydrophobicContact CG-CB 4.01Å; F445-Q465 HydrophobicContact CG-CG 4.43Å; H461-Q465 VanDerWaalsContact O-CB 3.29Å; H461-Q465 WeakPolarHBondContact O-CB 3.48Å; H461-Q465 VanDerWaalsContact O-CG 3.23Å; H461-Q465 WeakPolarHBondContact O-CG 3.46Å; H461-Q465 PolarHBondContact O-N 3.47Å
466	R	94.1	Very high	90	Very high	141 Å²	141	61 Å²	61	53%	0.532	29%	0.292	S	S	.	.			trans	-82.8	141	170.9	-65.5	-175.3	-179.6	-176.1	1.4	110.5	F445 H446 M504	F445-R466 WeakPolarHBondContact CD1-O 3.17Å; H446-R466 HydrophobicContact CB-CB 4.21Å; H446-R466 PolarHBondContact N-O 2.81Å; R466-M504 WeakPolarHBondContact CA-O 3.42Å
467	M	95.1	Very high	90	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.01	31%	0.313	C	S	.	.			trans	-57.3	144.2	173.6	-78.7	-175.3	-64.3	0	0	110.9	H446 T469 T470 M504 L506 I588 N591 P598	H446-M467 WeakPolarHBondContact CB-O 3.42Å; M467-T469 PolarHBondContact O-N 3.07Å; M467-T470 HydrophobicContact CB-CG2 3.97Å; M467-T470 HydrophobicContact CE-CG2 3.97Å; M467-M504 HydrophobicContact CE-CB 4.02Å; M467-M504 HydrophobicContact CE-CE 4.49Å; M467-M504 HydrophobicContact CG-CB 4.22Å; M467-M504 PolarHBondContact N-O 3.11Å; M467-L506 HydrophobicContact CE-CB 3.67Å; M467-L506 HydrophobicContact CE-CD2 4.42Å; M467-I588 HydrophobicContact SD-CG1 4.18Å; M467-N591 HydrophobicContact CE-CB 3.71Å; M467-N591 HydrophobicContact SD-CB 3.76Å; M467-N591 PolarHBondContact SD-ND2 3.42Å; M467-P598 CarbonylContact C-O 3.49Å; M467-P598 VanDerWaalsContact CA-O 3.28Å; M467-P598 WeakPolarHBondContact CA-O 3.49Å; M467-P598 HydrophobicContact CG-CB 4Å; M467-P598 HydrophobicContact SD-CB 3.87Å; M467-P598 HydrophobicContact SD-CG 4.18Å
468	L	95.3	Very high	90.2	Very high	30 Å²	30	64.9 Å²	64.9	16%	0.157	30%	0.302	C	S	.	.	S	Bend	trans	-53	-49.2	-174.2	-178.4	80.1	0	0	0	113.4	V444 F445 H446 T597 P598 M600	V444-L468 HydrophobicContact CG1-CD1 3.98Å; F445-L468 WeakPolarHBondContact O-CD1 3.07Å; H446-L468 PolarHBondContact ND1-O 3.08Å; L468-T597 WeakPolarHBondContact CB-O 3.33Å; L468-T597 HydrophobicContact CD2-CG2 3.96Å; L468-P598 PolarHBondContact N-O 3.46Å; L468-M600 HydrophobicContact CD2-CB 3.52Å; L468-M600 HydrophobicContact CD2-CG 4.36Å
469	T	94.9	Very high	90.4	Very high	48 Å²	48	64.9 Å²	64.9	29%	0.294	30%	0.302	S	S	.	.			trans	-132.2	138.9	175.9	58.5	0	0	0	0	109.6	M467 N591 T597	M467-T469 PolarHBondContact O-N 3.07Å; T469-N591 PolarHBondContact O-ND2 2.88Å; T469-T597 PolarHBondContact N-O 3.03Å; T469-T597 WeakPolarHBondContact OG1-CA 3.41Å; T469-T597 VanDerWaalsContact OG1-CB 3.25Å; T469-T597 WeakPolarHBondContact OG1-CB 3.37Å; T469-T597 PolarHBondContact OG1-N 3.23Å; T469-T597 PolarHBondContact OG1-O 3.02Å; T469-T597 VanDerWaalsContact OG1-O 3.1Å; T469-T597 PolarHBondContact OG1-OG1 3.13Å
470	T	94.1	Very high	90.8	Very high	45 Å²	45	62 Å²	62	28%	0.276	29%	0.289	S	S	.	.			trans	-141.6	149.5	178	49.7	0	0	0	0	108.7	M467 S472 L506	M467-T470 HydrophobicContact CB-CG2 3.97Å; M467-T470 HydrophobicContact CE-CG2 3.97Å; T470-S472 PolarHBondContact O-N 3.38Å; T470-L506 HydrophobicContact CG2-CB 4.48Å
471	P	93.6	Very high	91.4	Very high	12 Å²	12	52 Å²	52	8%	0.078	25%	0.251	C	S	.	.			trans	-59.6	130.8	173.8	21.4	-28.8	0	0	0	110.3	D473 G474 L506 N591 L594 Y596	P471-D473 PolarHBondContact O-N 3.14Å; P471-G474 WeakPolarHBondContact O-CA 3.33Å; P471-G474 PolarHBondContact O-N 3.47Å; P471-L506 HydrophobicContact CG-CD1 3.97Å; P471-N591 WeakPolarHBondContact CD-OD1 3.46Å; P471-L594 HydrophobicContact CG-CD1 4.12Å; P471-Y596 VanDerWaalsContact CA-CZ 3.43Å; P471-Y596 HydrophobicContact CB-CD2 4.31Å; P471-Y596 HydrophobicContact CB-CE1 4.17Å; P471-Y596 HydrophobicContact CB-CE2 3.59Å; P471-Y596 HydrophobicContact CG-CD2 4.18Å; P471-Y596 HydrophobicContact CG-CE2 3.92Å
472	S	88.9	Confident	91.8	Very high	100 Å²	100	48.6 Å²	48.6	70%	0.699	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-39.2	174.4	49.5	0	0	0	0	111.9	T470 G474 R507	T470-S472 PolarHBondContact O-N 3.38Å; S472-G474 PolarHBondContact O-N 3.31Å; S472-R507 PolarHBondContact O-NH2 2.88Å; S472-R507 VanDerWaalsContact O-NH2 3.14Å
473	D	85.9	Confident	92.5	Very high	86 Å²	86	48.5 Å²	48.5	46%	0.46	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-18	176.9	-59.3	-27.1	0	0	0	112.3	P471 R507 K537	P471-D473 PolarHBondContact O-N 3.14Å; D473-R507 PolarHBondContact O-NE 3.35Å; D473-R507 PolarHBondContact O-NH2 2.95Å; D473-K537 IonicContact OD2-NZ 3.25Å
474	G	92	Very high	93.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.			trans	71.8	-162.1	-168.5	0	0	0	0	0	112.4	P471 S472 D476 R507	P471-G474 WeakPolarHBondContact O-CA 3.33Å; P471-G474 PolarHBondContact O-N 3.47Å; S472-G474 PolarHBondContact O-N 3.31Å; G474-D476 PolarHBondContact O-N 3.35Å; G474-R507 CarbonylContact C-O 3.44Å; G474-R507 WeakPolarHBondContact CA-O 3.3Å
475	L	93.6	Very high	94	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-90.8	81.3	166.8	-168.9	64	0	0	0	108.4	W478 R507 V508 R509 K537 L538 L590 L594	L475-W478 HydrophobicContact CD1-CB 3.82Å; L475-W478 HydrophobicContact CD1-CG 4.1Å; L475-W478 HydrophobicContact CD2-CB 4.13Å; L475-W478 HydrophobicContact CD2-CD2 3.54Å; L475-W478 HydrophobicContact CD2-CE3 4.01Å; L475-W478 HydrophobicContact CD2-CG 3.63Å; L475-W478 HydrophobicContact CD2-CZ2 4.48Å; L475-W478 HydrophobicContact CG-CB 3.85Å; L475-W478 HydrophobicContact CG-CD2 4.03Å; L475-W478 HydrophobicContact CG-CG 3.54Å; L475-R507 PolarHBondContact N-O 3.39Å; L475-V508 HydrophobicContact CB-CG1 4.39Å; L475-V508 HydrophobicContact CB-CG2 4.3Å; L475-V508 HydrophobicContact CD2-CG1 4.2Å; L475-R509 PolarHBondContact O-N 2.97Å; L475-K537 HydrophobicContact CD1-CB 4.17Å; L475-L538 HydrophobicContact CD1-CB 4.14Å; L475-L590 HydrophobicContact CD2-CD1 4.48Å; L475-L594 HydrophobicContact CD1-CD1 3.89Å; L475-L594 HydrophobicContact CD1-CD2 3.87Å; L475-L594 HydrophobicContact CD1-CG 4.43Å
476	D	89.8	Confident	94.3	Very high	52 Å²	52	43.8 Å²	43.8	28%	0.278	21%	0.21	S	C	.	.			trans	-84.3	-41.1	-175.3	60	-20	0	0	0	113.6	G474 K537	G474-D476 PolarHBondContact O-N 3.35Å; D476-K537 WeakPolarHBondContact OD1-CD 3.39Å; D476-K537 WeakPolarHBondContact OD1-CE 3.4Å; D476-K537 IonicContact OD1-NZ 3.47Å; D476-K537 PolarHBondContact OD1-NZ 3.33Å; D476-K537 IonicContact OD2-NZ 3.29Å; D476-K537 PolarHBondContact OD2-NZ 2.89Å
477	R	94.7	Very high	94.2	Very high	122 Å²	122	38.4 Å²	38.4	46%	0.46	20%	0.195	S	C	.	.	S	Bend	trans	-124.9	103.4	-178.7	-169.1	173.5	70.2	-172.4	-1.5	110	S534 D535 K537	R477-S534 WeakPolarHBondContact CD-O 3Å; R477-S534 PolarHBondContact NE-O 2.86Å; R477-S534 VanDerWaalsContact NE-O 3.15Å; R477-D535 PolarHBondContact NE-O 3.13Å; R477-D535 PolarHBondContact NH2-O 2.86Å; R477-K537 WeakPolarHBondContact O-CB 3.39Å; R477-K537 PolarHBondContact O-N 3.24Å
478	W	97.4	Very high	94.2	Very high	6 Å²	6	45 Å²	45	2%	0.023	23%	0.225	C	C	.	.			trans	-154.7	165	179.6	69.8	-63.8	0	0	0	109.7	L475 V480 L494 L497 Y498 V508 R509 P511 Q512 L538 L540	L475-W478 HydrophobicContact CD1-CB 3.82Å; L475-W478 HydrophobicContact CD1-CG 4.1Å; L475-W478 HydrophobicContact CD2-CB 4.13Å; L475-W478 HydrophobicContact CD2-CD2 3.54Å; L475-W478 HydrophobicContact CD2-CE3 4.01Å; L475-W478 HydrophobicContact CD2-CG 3.63Å; L475-W478 HydrophobicContact CD2-CZ2 4.48Å; L475-W478 HydrophobicContact CG-CB 3.85Å; L475-W478 HydrophobicContact CG-CD2 4.03Å; L475-W478 HydrophobicContact CG-CG 3.54Å; W478-V480 HydrophobicContact CE3-CG2 4.15Å; W478-V480 HydrophobicContact CH2-CG2 3.97Å; W478-V480 HydrophobicContact CZ3-CG2 3.57Å; W478-L494 HydrophobicContact CH2-CD2 3.6Å; W478-L494 HydrophobicContact CZ2-CD2 4.36Å; W478-L494 HydrophobicContact CZ3-CD2 4.43Å; W478-L497 HydrophobicContact CH2-CD2 4Å; W478-Y498 HydrophobicContact CZ2-CE1 4.14Å; W478-V508 HydrophobicContact CH2-CG1 4.45Å; W478-V508 HydrophobicContact CZ2-CG1 3.54Å; W478-R509 PolarHBondContact NE1-O 3.08Å; W478-P511 HydrophobicContact CD2-CB 3.72Å; W478-P511 HydrophobicContact CE3-CB 4.05Å; W478-P511 HydrophobicContact CG-CB 4.24Å; W478-P511 HydrophobicContact CH2-CB 4.11Å; W478-P511 HydrophobicContact CH2-CG 3.99Å; W478-P511 HydrophobicContact CZ2-CB 3.76Å; W478-P511 HydrophobicContact CZ2-CG 3.74Å; W478-P511 HydrophobicContact CZ3-CB 4.23Å; W478-P511 HydrophobicContact CZ3-CG 4.5Å; W478-P511 WeakPolarHBondContact O-CA 3.4Å; W478-Q512 PolarHBondContact O-N 3.09Å; W478-L538 WeakPolarHBondContact CA-O 3.29Å; W478-L538 HydrophobicContact CB-CB 4.39Å; W478-L538 VanDerWaalsContact CB-O 3.3Å; W478-L538 WeakPolarHBondContact CB-O 3.41Å; W478-L538 HydrophobicContact CE3-CD2 4.31Å; W478-L540 HydrophobicContact CZ3-CB 4.04Å; W478-L540 HydrophobicContact CZ3-CD1 4.29Å
479	A	98	Very high	94.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	158.3	-175.3	0	0	0	0	0	112.3	Q512 F514 C531 P536 L538 I539 L540	A479-Q512 CarbonylContact C-O 3.54Å; A479-Q512 VanDerWaalsContact CA-O 3.28Å; A479-Q512 WeakPolarHBondContact CA-O 3.31Å; A479-Q512 HydrophobicContact CB-CB 4.23Å; A479-F514 HydrophobicContact CB-CD2 4.29Å; A479-F514 HydrophobicContact CB-CE2 4.4Å; A479-C531 WeakPolarHBondContact CB-SG 3.45Å; A479-P536 HydrophobicContact CB-CB 4.49Å; A479-L538 PolarHBondContact N-O 3.38Å; A479-L538 VanDerWaalsContact N-O 3.07Å; A479-I539 CarbonylContact O-C 3.53Å; A479-I539 WeakPolarHBondContact O-CA 3.13Å; A479-L540 PolarHBondContact O-N 2.81Å
480	V	98.2	Very high	94.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.3	175.3	174.8	0	0	0	0	109.3	W478 L490 L494 P511 Q512 F514 L540	W478-V480 HydrophobicContact CE3-CG2 4.15Å; W478-V480 HydrophobicContact CH2-CG2 3.97Å; W478-V480 HydrophobicContact CZ3-CG2 3.57Å; V480-L490 HydrophobicContact CG1-CD1 3.47Å; V480-L490 VanDerWaalsContact CG1-CD1 3.47Å; V480-L490 HydrophobicContact CG1-CD2 3.58Å; V480-L490 HydrophobicContact CG1-CG 4.13Å; V480-L494 HydrophobicContact CG2-CD2 4.09Å; V480-P511 HydrophobicContact CB-CB 4.36Å; V480-P511 HydrophobicContact CB-CG 4.31Å; V480-P511 HydrophobicContact CG2-CB 3.64Å; V480-P511 HydrophobicContact CG2-CG 3.53Å; V480-Q512 PolarHBondContact N-O 2.94Å; V480-F514 PolarHBondContact O-N 2.76Å; V480-L540 CarbonylContact C-O 3.41Å; V480-L540 VanDerWaalsContact CA-O 3.27Å; V480-L540 WeakPolarHBondContact CA-O 3.25Å; V480-L540 HydrophobicContact CG1-CD2 4.26Å; V480-L540 HydrophobicContact CG2-CB 4.23Å
481	I	98.1	Very high	94.3	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.1	174.8	-55.4	171.5	0	0	0	108.6	F514 I516 Y524 A527 M528 I539 L540 C541 L542	I481-F514 WeakPolarHBondContact CA-O 3.36Å; I481-F514 HydrophobicContact CG1-CB 3.95Å; I481-I516 HydrophobicContact CG2-CD1 4.24Å; I481-I516 HydrophobicContact CG2-CG2 4.15Å; I481-Y524 HydrophobicContact CB-CD1 4.47Å; I481-Y524 HydrophobicContact CG2-CD1 3.72Å; I481-Y524 HydrophobicContact CG2-CE1 4.05Å; I481-A527 HydrophobicContact CD1-CB 4.11Å; I481-A527 HydrophobicContact CG1-CB 4.45Å; I481-A527 HydrophobicContact CG2-CB 3.96Å; I481-M528 HydrophobicContact CD1-CB 4.22Å; I481-M528 HydrophobicContact CD1-CG 3.38Å; I481-I539 HydrophobicContact CD1-CG2 3.72Å; I481-I539 HydrophobicContact CG1-CG2 4.09Å; I481-L540 PolarHBondContact N-O 3.24Å; I481-C541 WeakPolarHBondContact O-CA 3.1Å; I481-L542 PolarHBondContact O-N 3.11Å
482	A	97.3	Very high	94.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	150.2	-179.9	0	0	0	0	0	112.4	L490 F514 I515 I516 L542	A482-L490 HydrophobicContact CB-CD2 3.78Å; A482-F514 PolarHBondContact N-O 2.82Å; A482-I515 WeakPolarHBondContact O-CA 3.49Å; A482-I516 WeakPolarHBondContact O-CG1 3.31Å; A482-I516 PolarHBondContact O-N 3.47Å; A482-L542 HydrophobicContact CB-CB 3.96Å; A482-L542 HydrophobicContact CB-CD2 4.29Å
483	P	95.7	Very high	94.8	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.5	172.6	-18.6	32.7	0	0	0	112.3	R485 N486 I516 D519 Y524	P483-R485 HydrophobicContact CB-CG 4.15Å; P483-R485 PolarHBondContact O-N 3.23Å; P483-N486 PolarHBondContact O-N 3.08Å; P483-I516 CarbonylContact C-O 3.5Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.48Å; P483-I516 HydrophobicContact CB-CG1 4.42Å; P483-I516 HydrophobicContact CG-CD1 4.49Å; P483-I516 HydrophobicContact CG-CG1 4.38Å; P483-D519 HydrophobicContact CG-CB 4.15Å; P483-Y524 VanDerWaalsContact CD-OH 3.31Å; P483-Y524 WeakPolarHBondContact CD-OH 3.46Å; P483-Y524 VanDerWaalsContact CG-OH 3.31Å; P483-Y524 WeakPolarHBondContact CG-OH 3.37Å
484	Q	94.5	Very high	95.3	Very high	113 Å²	113	41.4 Å²	41.4	53%	0.528	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-54.1	-38.4	-178.6	-172.6	178.1	-1.7	0	0	113.6	N486 S487 I515 I516	Q484-N486 PolarHBondContact O-N 3.43Å; Q484-N486 VanDerWaalsContact O-N 3.15Å; Q484-S487 PolarHBondContact O-N 3.37Å; Q484-S487 PolarHBondContact O-OG 2.68Å; Q484-I515 VanDerWaalsContact CA-CG2 3.44Å; Q484-I515 HydrophobicContact CB-CG2 3.62Å; Q484-I515 HydrophobicContact CG-CG2 4.06Å; Q484-I516 PolarHBondContact N-O 3.47Å
485	R	94.3	Very high	95.5	Very high	156 Å²	156	45.5 Å²	45.5	59%	0.589	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-65	-13.4	177.5	53	153	-162.1	-141.2	-2.7	114.6	P483 D519	P483-R485 HydrophobicContact CB-CG 4.15Å; P483-R485 PolarHBondContact O-N 3.23Å; R485-D519 IonicContact CZ-OD2 2.97Å; R485-D519 IonicContact NH1-OD2 3.67Å; R485-D519 VanDerWaalsContact NH2-CG 3.34Å; R485-D519 IonicContact NH2-OD2 2.68Å; R485-D519 PolarHBondContact NH2-OD2 3.06Å
486	N	94.2	Very high	95.6	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.027	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-112.4	12.5	-175.6	-65.7	36.6	0	0	0	112.7	P483 Q484 H488 E489 L490 L542 L571	P483-N486 PolarHBondContact O-N 3.08Å; Q484-N486 PolarHBondContact O-N 3.43Å; Q484-N486 VanDerWaalsContact O-N 3.15Å; N486-H488 VanDerWaalsContact C-N 3.27Å; N486-H488 PolarHBondContact O-N 3.47Å; N486-E489 PolarHBondContact O-N 3.29Å; N486-L490 PolarHBondContact O-N 2.84Å; N486-L542 HydrophobicContact CB-CD2 4.12Å; N486-L571 HydrophobicContact CB-CD1 4.4Å; N486-L571 VanDerWaalsContact ND2-CD1 3.25Å; N486-L571 WeakPolarHBondContact ND2-CD1 3.35Å; N486-L571 VanDerWaalsContact ND2-CD2 3.3Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.39Å
487	S	92.8	Very high	95.9	Very high	29 Å²	29	43.8 Å²	43.8	20%	0.203	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-33.1	-175.9	-61.7	0	0	0	0	113.1	Q484 L490 R491	Q484-S487 PolarHBondContact O-N 3.37Å; Q484-S487 PolarHBondContact O-OG 2.68Å; S487-L490 PolarHBondContact O-N 3.23Å; S487-R491 WeakPolarHBondContact O-CG 2.87Å; S487-R491 PolarHBondContact O-N 3.46Å; S487-R491 VanDerWaalsContact O-N 3.09Å
488	H	94.6	Very high	96	Very high	139 Å²	139	40.2 Å²	40.2	64%	0.644	18%	0.184	S	C	*	.	H	α-helix	trans	-65.6	-50.7	176.4	179.9	70.8	0	0	0	111.4	N486 L490 R491 T492	N486-H488 VanDerWaalsContact C-N 3.27Å; N486-H488 PolarHBondContact O-N 3.47Å; H488-L490 PolarHBondContact O-N 3.06Å; H488-R491 PolarHBondContact O-N 2.95Å; H488-T492 PolarHBondContact O-N 3.45Å; H488-T492 VanDerWaalsContact O-N 3.16Å; H488-T492 PolarHBondContact O-OG1 3.34Å
489	E	95.4	Very high	95.8	Very high	34 Å²	34	48.7 Å²	48.7	16%	0.159	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-31.2	176.5	-69.4	92.2	157.5	0	0	113	N486 L493 L571 K575	N486-E489 PolarHBondContact O-N 3.29Å; E489-L493 WeakPolarHBondContact O-CB 3.26Å; E489-L493 PolarHBondContact O-N 2.9Å; E489-L493 VanDerWaalsContact O-N 3.09Å; E489-L571 HydrophobicContact CB-CD1 3.8Å; E489-L571 HydrophobicContact CG-CD1 3.84Å; E489-K575 WeakPolarHBondContact OE1-CE 3.36Å; E489-K575 IonicContact OE1-NZ 3.22Å; E489-K575 PolarHBondContact OE1-NZ 2.77Å
490	L	95.8	Very high	95.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-48.9	174	174.9	61.3	0	0	0	111.4	V480 A482 N486 S487 H488 T492 L493 L494 I515 L542	V480-L490 HydrophobicContact CG1-CD1 3.47Å; V480-L490 VanDerWaalsContact CG1-CD1 3.47Å; V480-L490 HydrophobicContact CG1-CD2 3.58Å; V480-L490 HydrophobicContact CG1-CG 4.13Å; A482-L490 HydrophobicContact CB-CD2 3.78Å; N486-L490 PolarHBondContact O-N 2.84Å; S487-L490 PolarHBondContact O-N 3.23Å; H488-L490 PolarHBondContact O-N 3.06Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 3.38Å; L490-L493 WeakPolarHBondContact O-CB 3.4Å; L490-L493 PolarHBondContact O-N 2.87Å; L490-L493 VanDerWaalsContact O-N 3.13Å; L490-L494 HydrophobicContact CD1-CD1 4.07Å; L490-L494 HydrophobicContact CD1-CD2 4.41Å; L490-L494 HydrophobicContact CD1-CG 3.95Å; L490-L494 HydrophobicContact CD2-CD1 4.49Å; L490-L494 HydrophobicContact CG-CD1 3.98Å; L490-L494 HydrophobicContact CG-CG 4.28Å; L490-L494 WeakPolarHBondContact O-CG 3.46Å; L490-L494 PolarHBondContact O-N 2.88Å; L490-I515 HydrophobicContact CD2-CD1 4.49Å; L490-L542 HydrophobicContact CB-CD2 3.86Å; L490-L542 HydrophobicContact CD1-CD2 4.36Å
491	R	95.6	Very high	95.4	Very high	154 Å²	154	49 Å²	49	58%	0.581	22%	0.219	S	C	*	.	H	α-helix	trans	-58	-46.4	178.5	-71	176.8	-172.9	173.6	2.4	111.3	S487 H488 L493 L494 D495	S487-R491 WeakPolarHBondContact O-CG 2.87Å; S487-R491 PolarHBondContact O-N 3.46Å; S487-R491 VanDerWaalsContact O-N 3.09Å; H488-R491 PolarHBondContact O-N 2.95Å; R491-L493 VanDerWaalsContact C-N 3.28Å; R491-L493 PolarHBondContact O-N 2.9Å; R491-L494 PolarHBondContact O-N 2.98Å; R491-L494 VanDerWaalsContact O-N 3.09Å; R491-D495 PolarHBondContact O-N 2.85Å
492	T	95.9	Very high	95.1	Very high	52 Å²	52	52.5 Å²	52.5	32%	0.319	24%	0.243	S	C	.	.	H	α-helix	trans	-58.1	-39.6	176.3	-55.6	0	0	0	0	112.8	H488 L490 S496 L579	H488-T492 PolarHBondContact O-N 3.45Å; H488-T492 VanDerWaalsContact O-N 3.16Å; H488-T492 PolarHBondContact O-OG1 3.34Å; L490-T492 VanDerWaalsContact C-N 3.33Å; L490-T492 PolarHBondContact O-N 3.38Å; T492-S496 WeakPolarHBondContact O-CB 3.39Å; T492-S496 PolarHBondContact O-N 3.34Å; T492-S496 PolarHBondContact O-OG 2.72Å; T492-L579 HydrophobicContact CG2-CD2 3.84Å
493	L	96.8	Very high	94.8	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-46.5	174.5	173.9	65.4	0	0	0	111.6	E489 L490 R491 S496 L497 L540 L542 V569 T574 L579 I586	E489-L493 WeakPolarHBondContact O-CB 3.26Å; E489-L493 PolarHBondContact O-N 2.9Å; E489-L493 VanDerWaalsContact O-N 3.09Å; L490-L493 WeakPolarHBondContact O-CB 3.4Å; L490-L493 PolarHBondContact O-N 2.87Å; L490-L493 VanDerWaalsContact O-N 3.13Å; R491-L493 VanDerWaalsContact C-N 3.28Å; R491-L493 PolarHBondContact O-N 2.9Å; L493-S496 PolarHBondContact O-N 3.32Å; L493-L497 WeakPolarHBondContact O-CB 3.41Å; L493-L497 PolarHBondContact O-N 2.88Å; L493-L540 HydrophobicContact CD2-CD2 4.42Å; L493-L542 HydrophobicContact CD2-CD1 4.35Å; L493-V569 HydrophobicContact CD1-CG1 4.43Å; L493-V569 HydrophobicContact CD2-CB 4.14Å; L493-V569 HydrophobicContact CD2-CG1 3.88Å; L493-V569 HydrophobicContact CD2-CG2 4.22Å; L493-T574 HydrophobicContact CB-CG2 3.88Å; L493-T574 HydrophobicContact CD1-CG2 4.39Å; L493-T574 HydrophobicContact CD2-CG2 3.99Å; L493-T574 HydrophobicContact CG-CG2 4.31Å; L493-L579 HydrophobicContact CD1-CD1 4.19Å; L493-I586 HydrophobicContact CD1-CD1 4.24Å
494	L	96.9	Very high	94.6	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-44.8	-179.3	-69.3	178.4	0	0	0	111.6	W478 V480 L490 R491 S496 L497 Y498 P511	W478-L494 HydrophobicContact CH2-CD2 3.6Å; W478-L494 HydrophobicContact CZ2-CD2 4.36Å; W478-L494 HydrophobicContact CZ3-CD2 4.43Å; V480-L494 HydrophobicContact CG2-CD2 4.09Å; L490-L494 HydrophobicContact CD1-CD1 4.07Å; L490-L494 HydrophobicContact CD1-CD2 4.41Å; L490-L494 HydrophobicContact CD1-CG 3.95Å; L490-L494 HydrophobicContact CD2-CD1 4.49Å; L490-L494 HydrophobicContact CG-CD1 3.98Å; L490-L494 HydrophobicContact CG-CG 4.28Å; L490-L494 WeakPolarHBondContact O-CG 3.46Å; L490-L494 PolarHBondContact O-N 2.88Å; R491-L494 PolarHBondContact O-N 2.98Å; R491-L494 VanDerWaalsContact O-N 3.09Å; L494-S496 VanDerWaalsContact C-N 3.31Å; L494-S496 PolarHBondContact O-N 3.4Å; L494-L497 CarbonylContact O-C 3.5Å; L494-L497 WeakPolarHBondContact O-CA 3.39Å; L494-L497 WeakPolarHBondContact O-CB 3.26Å; L494-L497 PolarHBondContact O-N 3.17Å; L494-Y498 HydrophobicContact CB-CE2 3.93Å; L494-Y498 WeakPolarHBondContact O-CD2 3.43Å; L494-Y498 PolarHBondContact O-N 2.79Å; L494-P511 HydrophobicContact CD1-CG 4.13Å; L494-P511 HydrophobicContact CD2-CG 4.39Å
495	D	96	Very high	94.5	Very high	85 Å²	85	50.5 Å²	50.5	46%	0.455	25%	0.252	S	S	.	.	H	α-helix	trans	-59.2	-43.8	176.9	-69.9	-21.2	0	0	0	111.8	R491 L497 Y498 R499	R491-D495 PolarHBondContact O-N 2.85Å; D495-L497 VanDerWaalsContact C-N 3.31Å; D495-L497 PolarHBondContact O-N 3.44Å; D495-Y498 PolarHBondContact O-N 2.72Å; D495-R499 WeakPolarHBondContact O-CG 3.5Å; D495-R499 PolarHBondContact O-N 2.82Å; D495-R499 VanDerWaalsContact O-N 3.16Å
496	S	95.9	Very high	94.5	Very high	15 Å²	15	43.1 Å²	43.1	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-38.4	176	-59.8	0	0	0	0	111.7	T492 L493 L494 A500 L579	T492-S496 WeakPolarHBondContact O-CB 3.39Å; T492-S496 PolarHBondContact O-N 3.34Å; T492-S496 PolarHBondContact O-OG 2.72Å; L493-S496 PolarHBondContact O-N 3.32Å; L494-S496 VanDerWaalsContact C-N 3.31Å; L494-S496 PolarHBondContact O-N 3.4Å; S496-A500 VanDerWaalsContact O-CB 3.3Å; S496-A500 WeakPolarHBondContact O-CB 3.44Å; S496-A500 PolarHBondContact O-N 3.03Å; S496-L579 VanDerWaalsContact OG-CD2 3.28Å; S496-L579 WeakPolarHBondContact OG-CD2 3.47Å
497	L	96.3	Very high	94.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-44.9	177.9	-175.5	68.3	0	0	0	111.6	W478 L493 L494 D495 R499 A500 A501 I586 A587 L590	W478-L497 HydrophobicContact CH2-CD2 4Å; L493-L497 WeakPolarHBondContact O-CB 3.41Å; L493-L497 PolarHBondContact O-N 2.88Å; L494-L497 CarbonylContact O-C 3.5Å; L494-L497 WeakPolarHBondContact O-CA 3.39Å; L494-L497 WeakPolarHBondContact O-CB 3.26Å; L494-L497 PolarHBondContact O-N 3.17Å; D495-L497 VanDerWaalsContact C-N 3.31Å; D495-L497 PolarHBondContact O-N 3.44Å; L497-R499 PolarHBondContact O-N 3.08Å; L497-A500 PolarHBondContact O-N 2.9Å; L497-A501 WeakPolarHBondContact O-CB 3.15Å; L497-A501 PolarHBondContact O-N 3.43Å; L497-I586 HydrophobicContact CD1-CB 4.24Å; L497-I586 HydrophobicContact CD1-CG2 3.84Å; L497-A587 HydrophobicContact CD1-CB 3.9Å; L497-L590 HydrophobicContact CD1-CD1 4.04Å; L497-L590 HydrophobicContact CD2-CD1 3.88Å; L497-L590 HydrophobicContact CG-CD1 4.45Å
498	Y	96	Very high	94.7	Very high	48 Å²	48	48.4 Å²	48.4	19%	0.188	24%	0.241	C	C	.	.	H	α-helix	trans	-59.8	-47.1	177.6	-60.8	-39.2	0	0	0	111.6	W478 L494 D495 S502 V508 P511	W478-Y498 HydrophobicContact CZ2-CE1 4.14Å; L494-Y498 HydrophobicContact CB-CE2 3.93Å; L494-Y498 WeakPolarHBondContact O-CD2 3.43Å; L494-Y498 PolarHBondContact O-N 2.79Å; D495-Y498 PolarHBondContact O-N 2.72Å; Y498-S502 VanDerWaalsContact O-CB 3.26Å; Y498-S502 WeakPolarHBondContact O-CB 3.43Å; Y498-S502 PolarHBondContact O-N 3.26Å; Y498-S502 PolarHBondContact O-OG 3.2Å; Y498-V508 HydrophobicContact CD1-CB 4.06Å; Y498-V508 HydrophobicContact CD1-CG1 3.81Å; Y498-V508 HydrophobicContact CE1-CB 4.45Å; Y498-V508 HydrophobicContact CE1-CG1 3.74Å; Y498-P511 WeakPolarHBondContact OH-CD 3.46Å
499	R	94.1	Very high	94.7	Very high	184 Å²	184	48.2 Å²	48.2	69%	0.694	24%	0.235	S	C	*	.	H	α-helix	trans	-61.3	-48.2	178.1	-70	175.6	-174.1	-166.8	2.3	111.4	D495 L497 G503 M580	D495-R499 WeakPolarHBondContact O-CG 3.5Å; D495-R499 PolarHBondContact O-N 2.82Å; D495-R499 VanDerWaalsContact O-N 3.16Å; L497-R499 PolarHBondContact O-N 3.08Å; R499-G503 PolarHBondContact O-N 2.88Å; R499-M580 HydrophobicContact CB-CE 3.87Å
500	A	93.7	Very high	94.7	Very high	7 Å²	7	51.3 Å²	51.3	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-67.6	-44	-178.5	0	0	0	0	0	112.7	S496 L497 G503 M504 M580 A583	S496-A500 VanDerWaalsContact O-CB 3.3Å; S496-A500 WeakPolarHBondContact O-CB 3.44Å; S496-A500 PolarHBondContact O-N 3.03Å; L497-A500 PolarHBondContact O-N 2.9Å; A500-G503 PolarHBondContact O-N 3.32Å; A500-M504 PolarHBondContact O-N 2.68Å; A500-M580 HydrophobicContact CB-CE 4.11Å; A500-A583 HydrophobicContact CB-CB 4.1Å
501	A	94.4	Very high	94.7	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-43	179.7	0	0	0	0	0	111.7	L497 G503 M504 G505 L506 V508 A587	L497-A501 WeakPolarHBondContact O-CB 3.15Å; L497-A501 PolarHBondContact O-N 3.43Å; A501-G503 PolarHBondContact O-N 2.9Å; A501-M504 CarbonylContact O-C 3.43Å; A501-M504 PolarHBondContact O-N 2.95Å; A501-M504 VanDerWaalsContact O-N 3.14Å; A501-G505 PolarHBondContact O-N 2.9Å; A501-L506 CarbonylContact C-O 3.55Å; A501-L506 HydrophobicContact CB-CB 4.14Å; A501-L506 HydrophobicContact CB-CD2 4.21Å; A501-L506 HydrophobicContact CB-CG 4.32Å; A501-L506 WeakPolarHBondContact CB-O 3.34Å; A501-L506 PolarHBondContact O-N 3.31Å; A501-V508 HydrophobicContact CB-CB 4.5Å; A501-V508 HydrophobicContact CB-CG2 3.52Å; A501-A587 HydrophobicContact CB-CB 3.87Å
502	S	91.9	Very high	94.8	Very high	73 Å²	73	49 Å²	49	51%	0.51	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-42.6	178.6	-58.4	0	0	0	0	112.1	Y498 M504 G505	Y498-S502 VanDerWaalsContact O-CB 3.26Å; Y498-S502 WeakPolarHBondContact O-CB 3.43Å; Y498-S502 PolarHBondContact O-N 3.26Å; Y498-S502 PolarHBondContact O-OG 3.2Å; S502-M504 PolarHBondContact O-N 3.16Å; S502-G505 PolarHBondContact O-N 3.42Å
503	G	89.2	Confident	94.7	Very high	45 Å²	45	51.4 Å²	51.4	46%	0.464	27%	0.265	S	S	.	.	H	α-helix	trans	-59.7	-33	175.7	0	0	0	0	0	113.4	R499 A500 A501 G505	R499-G503 PolarHBondContact O-N 2.88Å; A500-G503 PolarHBondContact O-N 3.32Å; A501-G503 PolarHBondContact O-N 2.9Å; G503-G505 VanDerWaalsContact C-N 3.34Å
504	M	92.4	Very high	94.7	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.6	177.3	-64.6	-172.7	-63.3	0	0	114.1	F462 R466 M467 A500 A501 S502 T584 A587 I588	F462-M504 HydrophobicContact CB-SD 4.39Å; F462-M504 HydrophobicContact CD1-SD 4.23Å; R466-M504 WeakPolarHBondContact CA-O 3.42Å; M467-M504 HydrophobicContact CE-CB 4.02Å; M467-M504 HydrophobicContact CE-CE 4.49Å; M467-M504 HydrophobicContact CG-CB 4.22Å; M467-M504 PolarHBondContact N-O 3.11Å; A500-M504 PolarHBondContact O-N 2.68Å; A501-M504 CarbonylContact O-C 3.43Å; A501-M504 PolarHBondContact O-N 2.95Å; A501-M504 VanDerWaalsContact O-N 3.14Å; S502-M504 PolarHBondContact O-N 3.16Å; M504-T584 HydrophobicContact CE-CG2 4.02Å; M504-T584 WeakPolarHBondContact CE-O 3.48Å; M504-T584 HydrophobicContact SD-CG2 3.56Å; M504-T584 VanDerWaalsContact SD-CG2 3.56Å; M504-A587 HydrophobicContact CE-CB 3.32Å; M504-I588 HydrophobicContact CE-CG1 3.96Å; M504-I588 HydrophobicContact SD-CD1 4.02Å; M504-I588 HydrophobicContact SD-CG1 3.61Å
505	G	92.6	Very high	94.7	Very high	24 Å²	24	56 Å²	56	25%	0.247	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	5.6	-179.5	0	0	0	0	0	115.4	A501 S502 G503 R507	A501-G505 PolarHBondContact O-N 2.9Å; S502-G505 PolarHBondContact O-N 3.42Å; G503-G505 VanDerWaalsContact C-N 3.34Å; G505-R507 PolarHBondContact O-N 2.84Å
506	L	95	Very high	94.7	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.27	C	S	.	.			trans	-88.6	104.5	173	177.9	66.5	0	0	0	109.8	M467 T470 P471 A501 V508 N591	M467-L506 HydrophobicContact CE-CB 3.67Å; M467-L506 HydrophobicContact CE-CD2 4.42Å; T470-L506 HydrophobicContact CG2-CB 4.48Å; P471-L506 HydrophobicContact CG-CD1 3.97Å; A501-L506 CarbonylContact C-O 3.55Å; A501-L506 HydrophobicContact CB-CB 4.14Å; A501-L506 HydrophobicContact CB-CD2 4.21Å; A501-L506 HydrophobicContact CB-CG 4.32Å; A501-L506 WeakPolarHBondContact CB-O 3.34Å; A501-L506 PolarHBondContact O-N 3.31Å; L506-V508 HydrophobicContact CD2-CG2 4.04Å; L506-V508 HydrophobicContact CG-CG2 3.9Å; L506-V508 PolarHBondContact O-N 3.07Å; L506-N591 HydrophobicContact CD2-CB 4.38Å
507	R	94.7	Very high	94.5	Very high	129 Å²	129	61.9 Å²	61.9	49%	0.487	30%	0.304	S	S	.	.			trans	-70.3	115.5	173.6	-174.2	174.9	69.1	-164.8	-0.4	109.9	S472 D473 G474 L475 G505	S472-R507 PolarHBondContact O-NH2 2.88Å; S472-R507 VanDerWaalsContact O-NH2 3.14Å; D473-R507 PolarHBondContact O-NE 3.35Å; D473-R507 PolarHBondContact O-NH2 2.95Å; G474-R507 CarbonylContact C-O 3.44Å; G474-R507 WeakPolarHBondContact CA-O 3.3Å; L475-R507 PolarHBondContact N-O 3.39Å; G505-R507 PolarHBondContact O-N 2.84Å
508	V	95.3	Very high	94.3	Very high	17 Å²	17	63.7 Å²	63.7	10%	0.103	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-113.7	122.2	177.1	-178.1	0	0	0	0	108.8	L475 W478 Y498 A501 L506	L475-V508 HydrophobicContact CB-CG1 4.39Å; L475-V508 HydrophobicContact CB-CG2 4.3Å; L475-V508 HydrophobicContact CD2-CG1 4.2Å; W478-V508 HydrophobicContact CH2-CG1 4.45Å; W478-V508 HydrophobicContact CZ2-CG1 3.54Å; Y498-V508 HydrophobicContact CD1-CB 4.06Å; Y498-V508 HydrophobicContact CD1-CG1 3.81Å; Y498-V508 HydrophobicContact CE1-CB 4.45Å; Y498-V508 HydrophobicContact CE1-CG1 3.74Å; A501-V508 HydrophobicContact CB-CB 4.5Å; A501-V508 HydrophobicContact CB-CG2 3.52Å; L506-V508 HydrophobicContact CD2-CG2 4.04Å; L506-V508 HydrophobicContact CG-CG2 3.9Å; L506-V508 PolarHBondContact O-N 3.07Å
509	R	94.8	Very high	94.1	Very high	134 Å²	134	63.5 Å²	63.5	51%	0.506	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-87.6	168.7	173.6	-65.9	-169	176.4	171.5	-1.8	110.9	L475 W478	L475-R509 PolarHBondContact O-N 2.97Å; W478-R509 PolarHBondContact NE1-O 3.08Å
510	S	95.4	Very high	94.1	Very high	100 Å²	100	63 Å²	63	70%	0.699	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-61.6	132.8	174.6	-57.2	0	0	0	0	111.2
511	P	96.6	Very high	94.2	Very high	16 Å²	16	64 Å²	64	10%	0.104	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-77	164	179.2	29.5	-32.3	0	0	0	112.1	W478 V480 L494 Y498 E513	W478-P511 HydrophobicContact CD2-CB 3.72Å; W478-P511 HydrophobicContact CE3-CB 4.05Å; W478-P511 HydrophobicContact CG-CB 4.24Å; W478-P511 HydrophobicContact CH2-CB 4.11Å; W478-P511 HydrophobicContact CH2-CG 3.99Å; W478-P511 HydrophobicContact CZ2-CB 3.76Å; W478-P511 HydrophobicContact CZ2-CG 3.74Å; W478-P511 HydrophobicContact CZ3-CB 4.23Å; W478-P511 HydrophobicContact CZ3-CG 4.5Å; W478-P511 WeakPolarHBondContact O-CA 3.4Å; V480-P511 HydrophobicContact CB-CB 4.36Å; V480-P511 HydrophobicContact CB-CG 4.31Å; V480-P511 HydrophobicContact CG2-CB 3.64Å; V480-P511 HydrophobicContact CG2-CG 3.53Å; L494-P511 HydrophobicContact CD1-CG 4.13Å; L494-P511 HydrophobicContact CD2-CG 4.39Å; Y498-P511 WeakPolarHBondContact OH-CD 3.46Å; P511-E513 PolarHBondContact O-N 2.59Å
512	Q	96.3	Very high	94.2	Very high	91 Å²	91	66 Å²	66	43%	0.425	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	120	159.7	-169.1	176.6	3.5	0	0	109.6	W478 A479 V480 F514 S534	W478-Q512 PolarHBondContact O-N 3.09Å; A479-Q512 CarbonylContact C-O 3.54Å; A479-Q512 VanDerWaalsContact CA-O 3.28Å; A479-Q512 WeakPolarHBondContact CA-O 3.31Å; A479-Q512 HydrophobicContact CB-CB 4.23Å; V480-Q512 PolarHBondContact N-O 2.94Å; Q512-F514 HydrophobicContact CB-CE2 4.28Å; Q512-F514 HydrophobicContact CG-CD2 4.1Å; Q512-F514 HydrophobicContact CG-CE2 3.59Å; Q512-F514 HydrophobicContact CG-CZ 4.38Å; Q512-S534 PolarHBondContact OE1-OG 2.75Å
513	E	95.3	Very high	94.4	Very high	101 Å²	101	63.3 Å²	63.3	47%	0.472	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.8	179.7	-64.6	-172.5	-173.5	0	0	111.3	P511 I515	P511-E513 PolarHBondContact O-N 2.59Å; E513-I515 HydrophobicContact CB-CD1 4.5Å
514	F	95.9	Very high	94.8	Very high	42 Å²	42	61.1 Å²	61.1	18%	0.184	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	93.2	171.4	-79.5	-94.9	0	0	0	109.1	A479 V480 I481 A482 Q512 D530 C531	A479-F514 HydrophobicContact CB-CD2 4.29Å; A479-F514 HydrophobicContact CB-CE2 4.4Å; V480-F514 PolarHBondContact O-N 2.76Å; I481-F514 WeakPolarHBondContact CA-O 3.36Å; I481-F514 HydrophobicContact CG1-CB 3.95Å; A482-F514 PolarHBondContact N-O 2.82Å; Q512-F514 HydrophobicContact CB-CE2 4.28Å; Q512-F514 HydrophobicContact CG-CD2 4.1Å; Q512-F514 HydrophobicContact CG-CE2 3.59Å; Q512-F514 HydrophobicContact CG-CZ 4.38Å; F514-D530 HydrophobicContact CE1-CB 4.41Å; F514-C531 HydrophobicContact CD2-CB 4Å; F514-C531 HydrophobicContact CE1-CB 4.22Å; F514-C531 HydrophobicContact CE2-CB 3.57Å; F514-C531 HydrophobicContact CG-CB 4.47Å; F514-C531 HydrophobicContact CZ-CB 3.71Å
515	I	96.3	Very high	95	Very high	62 Å²	62	62 Å²	62	32%	0.318	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	118.5	179	-55.2	-55.9	0	0	0	109.6	A482 Q484 L490 E513	A482-I515 WeakPolarHBondContact O-CA 3.49Å; Q484-I515 VanDerWaalsContact CA-CG2 3.44Å; Q484-I515 HydrophobicContact CB-CG2 3.62Å; Q484-I515 HydrophobicContact CG-CG2 4.06Å; L490-I515 HydrophobicContact CD2-CD1 4.49Å; E513-I515 HydrophobicContact CB-CD1 4.5Å
516	I	96.1	Very high	95.2	Very high	16 Å²	16	68.4 Å²	68.4	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	146.7	179	60.1	176.8	0	0	0	111.1	I481 A482 P483 Q484 D518 Y524 A527	I481-I516 HydrophobicContact CG2-CD1 4.24Å; I481-I516 HydrophobicContact CG2-CG2 4.15Å; A482-I516 WeakPolarHBondContact O-CG1 3.31Å; A482-I516 PolarHBondContact O-N 3.47Å; P483-I516 CarbonylContact C-O 3.5Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.48Å; P483-I516 HydrophobicContact CB-CG1 4.42Å; P483-I516 HydrophobicContact CG-CD1 4.49Å; P483-I516 HydrophobicContact CG-CG1 4.38Å; Q484-I516 PolarHBondContact N-O 3.47Å; I516-D518 WeakPolarHBondContact CD1-O 3.38Å; I516-D518 VanDerWaalsContact CG1-O 3.26Å; I516-D518 WeakPolarHBondContact CG1-O 3.49Å; I516-Y524 HydrophobicContact CD1-CD1 4.02Å; I516-Y524 HydrophobicContact CD1-CD2 3.82Å; I516-Y524 HydrophobicContact CD1-CE1 3.9Å; I516-Y524 HydrophobicContact CD1-CE2 3.67Å; I516-Y524 HydrophobicContact CD1-CG 3.99Å; I516-A527 HydrophobicContact CG2-CB 3.8Å
517	Y	92.7	Very high	95.3	Very high	207 Å²	207	68.8 Å²	68.8	81%	0.812	32%	0.323	S	S	*	.	S	Bend	trans	-73.9	-35.2	-177.5	-61.6	-68.9	0	0	0	113.5
518	D	91.6	Very high	95.3	Very high	39 Å²	39	62.9 Å²	62.9	21%	0.209	30%	0.301	C	S	.	.	S	Bend	trans	-123.4	171.7	179.5	73.6	40.5	0	0	0	112.1	I516 R520 T523	I516-D518 WeakPolarHBondContact CD1-O 3.38Å; I516-D518 VanDerWaalsContact CG1-O 3.26Å; I516-D518 WeakPolarHBondContact CG1-O 3.49Å; D518-R520 HydrophobicContact CB-CG 4.44Å; D518-R520 VanDerWaalsContact OD1-CB 3.3Å; D518-R520 WeakPolarHBondContact OD1-CB 3.42Å; D518-R520 WeakPolarHBondContact OD1-CG 3.23Å; D518-R520 PolarHBondContact OD1-N 3.27Å; D518-R520 IonicContact OD2-CZ 3.48Å; D518-R520 IonicContact OD2-NE 2.78Å; D518-R520 PolarHBondContact OD2-NE 2.89Å; D518-R520 IonicContact OD2-NH2 3.47Å; D518-R520 PolarHBondContact OD2-NH2 2.93Å; D518-T523 WeakPolarHBondContact OD1-CB 3.12Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.47Å; D518-T523 PolarHBondContact OD1-OG1 3.06Å
519	D	91.9	Very high	95.3	Very high	43 Å²	43	64.2 Å²	64.2	23%	0.23	31%	0.307	C	S	.	.			trans	-105.3	20	178.9	67	-11.5	0	0	0	113.4	P483 R485 Y524 P544 R550	P483-D519 HydrophobicContact CG-CB 4.15Å; R485-D519 IonicContact CZ-OD2 2.97Å; R485-D519 IonicContact NH1-OD2 3.67Å; R485-D519 VanDerWaalsContact NH2-CG 3.34Å; R485-D519 IonicContact NH2-OD2 2.68Å; R485-D519 PolarHBondContact NH2-OD2 3.06Å; D519-Y524 HydrophobicContact CB-CE2 4.48Å; D519-P544 HydrophobicContact CB-CG 3.92Å; D519-P544 WeakPolarHBondContact OD2-CG 3.39Å; D519-R550 PolarHBondContact O-NE 2.98Å; D519-R550 PolarHBondContact O-NH2 3.45Å; D519-R550 IonicContact OD2-NH2 3.48Å
520	R	93.9	Very high	95.3	Very high	174 Å²	174	61.3 Å²	61.3	66%	0.657	30%	0.302	S	S	*	.			trans	-68.2	151.8	179.7	-62.8	-173.7	-124.4	-159.2	-5.2	110.8	D518 G522 T523 Y524	D518-R520 HydrophobicContact CB-CG 4.44Å; D518-R520 VanDerWaalsContact OD1-CB 3.3Å; D518-R520 WeakPolarHBondContact OD1-CB 3.42Å; D518-R520 WeakPolarHBondContact OD1-CG 3.23Å; D518-R520 PolarHBondContact OD1-N 3.27Å; D518-R520 IonicContact OD2-CZ 3.48Å; D518-R520 IonicContact OD2-NE 2.78Å; D518-R520 PolarHBondContact OD2-NE 2.89Å; D518-R520 IonicContact OD2-NH2 3.47Å; D518-R520 PolarHBondContact OD2-NH2 2.93Å; R520-G522 VanDerWaalsContact C-N 3.28Å; R520-G522 PolarHBondContact O-N 2.95Å; R520-T523 PolarHBondContact N-OG1 3.36Å; R520-T523 PolarHBondContact O-N 2.98Å; R520-T523 PolarHBondContact O-OG1 2.9Å; R520-Y524 WeakPolarHBondContact O-CD2 3.17Å
521	T	95.2	Very high	95.2	Very high	29 Å²	29	56.6 Å²	56.6	18%	0.178	27%	0.269	C	S	.	.	H	α-helix	trans	-58.1	-41.8	178.5	-56.2	0	0	0	0	112.1	T523 Y524 V525 S553	T521-T523 VanDerWaalsContact C-N 3.32Å; T521-T523 PolarHBondContact O-N 3.27Å; T521-Y524 PolarHBondContact O-N 3.38Å; T521-V525 WeakPolarHBondContact O-CG2 3.3Å; T521-V525 PolarHBondContact O-N 2.89Å; T521-V525 VanDerWaalsContact O-N 3.17Å; T521-S553 WeakPolarHBondContact CG2-OG 3.31Å
522	G	95.5	Very high	95.1	Very high	41 Å²	41	57 Å²	57	42%	0.423	27%	0.271	S	S	.	.	H	α-helix	trans	-66	-26.1	-178.6	0	0	0	0	0	115.1	R520 R526	R520-G522 VanDerWaalsContact C-N 3.28Å; R520-G522 PolarHBondContact O-N 2.95Å; G522-R526 WeakPolarHBondContact O-CG 3.3Å; G522-R526 PolarHBondContact O-N 3.22Å; G522-R526 VanDerWaalsContact O-N 3.12Å; G522-R526 PolarHBondContact O-NE 2.87Å
523	T	96.1	Very high	94.8	Very high	16 Å²	16	61.9 Å²	61.9	10%	0.098	29%	0.285	C	S	.	.	H	α-helix	trans	-76.6	-41.6	176.2	43.3	0	0	0	0	111.9	D518 R520 T521 V525 R526 A527	D518-T523 WeakPolarHBondContact OD1-CB 3.12Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.47Å; D518-T523 PolarHBondContact OD1-OG1 3.06Å; R520-T523 PolarHBondContact N-OG1 3.36Å; R520-T523 PolarHBondContact O-N 2.98Å; R520-T523 PolarHBondContact O-OG1 2.9Å; T521-T523 VanDerWaalsContact C-N 3.32Å; T521-T523 PolarHBondContact O-N 3.27Å; T523-V525 VanDerWaalsContact C-N 3.29Å; T523-V525 PolarHBondContact O-N 3.26Å; T523-R526 VanDerWaalsContact CG2-NH2 3.33Å; T523-R526 PolarHBondContact O-N 2.96Å; T523-A527 WeakPolarHBondContact O-CB 3.48Å; T523-A527 PolarHBondContact O-N 2.77Å
524	Y	97.4	Very high	94.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-44.7	170.7	-78.8	-84.6	0	0	0	111.7	I481 P483 I516 D519 R520 T521 A527 M528 C541 L542 V543 R550 I554	I481-Y524 HydrophobicContact CB-CD1 4.47Å; I481-Y524 HydrophobicContact CG2-CD1 3.72Å; I481-Y524 HydrophobicContact CG2-CE1 4.05Å; P483-Y524 VanDerWaalsContact CD-OH 3.31Å; P483-Y524 WeakPolarHBondContact CD-OH 3.46Å; P483-Y524 VanDerWaalsContact CG-OH 3.31Å; P483-Y524 WeakPolarHBondContact CG-OH 3.37Å; I516-Y524 HydrophobicContact CD1-CD1 4.02Å; I516-Y524 HydrophobicContact CD1-CD2 3.82Å; I516-Y524 HydrophobicContact CD1-CE1 3.9Å; I516-Y524 HydrophobicContact CD1-CE2 3.67Å; I516-Y524 HydrophobicContact CD1-CG 3.99Å; D519-Y524 HydrophobicContact CB-CE2 4.48Å; R520-Y524 WeakPolarHBondContact O-CD2 3.17Å; T521-Y524 PolarHBondContact O-N 3.38Å; Y524-A527 PolarHBondContact O-N 3.44Å; Y524-M528 WeakPolarHBondContact O-CB 3.47Å; Y524-M528 VanDerWaalsContact O-CG 3.25Å; Y524-M528 WeakPolarHBondContact O-CG 3.32Å; Y524-M528 PolarHBondContact O-N 2.88Å; Y524-C541 HydrophobicContact CD1-CB 4.32Å; Y524-C541 HydrophobicContact CE1-CB 4.29Å; Y524-L542 PolarHBondContact OH-O 3.46Å; Y524-V543 HydrophobicContact CE1-CG1 4.38Å; Y524-R550 HydrophobicContact CD2-CG 4.26Å; Y524-I554 HydrophobicContact CD1-CD1 4.06Å; Y524-I554 HydrophobicContact CG-CD1 4.14Å
525	V	96.6	Very high	94.6	Very high	19 Å²	19	61.9 Å²	61.9	12%	0.115	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-48.1	-179.8	170.1	0	0	0	0	111.5	T521 T523 M528 D529 R557	T521-V525 WeakPolarHBondContact O-CG2 3.3Å; T521-V525 PolarHBondContact O-N 2.89Å; T521-V525 VanDerWaalsContact O-N 3.17Å; T523-V525 VanDerWaalsContact C-N 3.29Å; T523-V525 PolarHBondContact O-N 3.26Å; V525-M528 WeakPolarHBondContact O-CB 3.42Å; V525-M528 PolarHBondContact O-N 2.8Å; V525-D529 PolarHBondContact O-N 3.36Å; V525-R557 HydrophobicContact CB-CG 4.39Å; V525-R557 HydrophobicContact CG1-CG 3.76Å; V525-R557 VanDerWaalsContact CG1-NE 3.34Å; V525-R557 HydrophobicContact CG2-CG 3.92Å
526	R	96.3	Very high	94.6	Very high	160 Å²	160	59.3 Å²	59.3	60%	0.604	28%	0.281	S	S	*	.	H	α-helix	trans	-60.4	-47	177	-75.2	-176.3	-70.9	167.4	-2.7	112.1	G522 T523 M528 D529 D530	G522-R526 WeakPolarHBondContact O-CG 3.3Å; G522-R526 PolarHBondContact O-N 3.22Å; G522-R526 VanDerWaalsContact O-N 3.12Å; G522-R526 PolarHBondContact O-NE 2.87Å; T523-R526 VanDerWaalsContact CG2-NH2 3.33Å; T523-R526 PolarHBondContact O-N 2.96Å; R526-M528 VanDerWaalsContact C-N 3.26Å; R526-M528 PolarHBondContact O-N 3.1Å; R526-D529 PolarHBondContact O-N 3.37Å; R526-D529 VanDerWaalsContact O-N 3.09Å; R526-D530 PolarHBondContact O-N 3.19Å
527	A	96.6	Very high	94.6	Very high	9 Å²	9	61.6 Å²	61.6	7%	0.074	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-36.2	176.9	0	0	0	0	0	112.2	I481 I516 T523 Y524 C531	I481-A527 HydrophobicContact CD1-CB 4.11Å; I481-A527 HydrophobicContact CG1-CB 4.45Å; I481-A527 HydrophobicContact CG2-CB 3.96Å; I516-A527 HydrophobicContact CG2-CB 3.8Å; T523-A527 WeakPolarHBondContact O-CB 3.48Å; T523-A527 PolarHBondContact O-N 2.77Å; Y524-A527 PolarHBondContact O-N 3.44Å; A527-C531 WeakPolarHBondContact O-CB 3.42Å; A527-C531 PolarHBondContact O-N 3.45Å
528	M	96.4	Very high	94.8	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.02	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-45.9	172.3	-74.3	-179.7	70.2	0	0	111.8	I481 Y524 V525 R526 D530 C531 V532 I554 R557 T566	I481-M528 HydrophobicContact CD1-CB 4.22Å; I481-M528 HydrophobicContact CD1-CG 3.38Å; Y524-M528 WeakPolarHBondContact O-CB 3.47Å; Y524-M528 VanDerWaalsContact O-CG 3.25Å; Y524-M528 WeakPolarHBondContact O-CG 3.32Å; Y524-M528 PolarHBondContact O-N 2.88Å; V525-M528 WeakPolarHBondContact O-CB 3.42Å; V525-M528 PolarHBondContact O-N 2.8Å; R526-M528 VanDerWaalsContact C-N 3.26Å; R526-M528 PolarHBondContact O-N 3.1Å; M528-D530 VanDerWaalsContact C-N 3.33Å; M528-D530 PolarHBondContact O-N 3.08Å; M528-C531 PolarHBondContact O-N 3.07Å; M528-V532 WeakPolarHBondContact O-CG2 3.37Å; M528-V532 PolarHBondContact O-N 2.7Å; M528-I554 HydrophobicContact CE-CG2 4.33Å; M528-I554 HydrophobicContact SD-CB 4.22Å; M528-I554 HydrophobicContact SD-CG1 4.24Å; M528-I554 HydrophobicContact SD-CG2 3.83Å; M528-R557 HydrophobicContact CE-CB 4.39Å; M528-T566 HydrophobicContact CE-CG2 3.78Å
529	D	94.9	Very high	95.2	Very high	46 Å²	46	49.9 Å²	49.9	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-39.3	179	-80.8	-48.5	0	0	0	112.4	V525 R526 R562	V525-D529 PolarHBondContact O-N 3.36Å; R526-D529 PolarHBondContact O-N 3.37Å; R526-D529 VanDerWaalsContact O-N 3.09Å; D529-R562 IonicContact OD1-CZ 3.46Å; D529-R562 IonicContact OD1-NE 2.67Å; D529-R562 PolarHBondContact OD1-NE 3.01Å; D529-R562 IonicContact OD1-NH2 3.42Å; D529-R562 PolarHBondContact OD1-NH2 2.84Å
530	D	94.3	Very high	95.5	Very high	73 Å²	73	47.9 Å²	47.9	39%	0.39	23%	0.231	S	C	.	.	H	α-helix	trans	-70.5	-41.6	175.1	-66.2	-35.8	0	0	0	111.6	F514 R526 M528 V532 R533	F514-D530 HydrophobicContact CE1-CB 4.41Å; R526-D530 PolarHBondContact O-N 3.19Å; M528-D530 VanDerWaalsContact C-N 3.33Å; M528-D530 PolarHBondContact O-N 3.08Å; D530-V532 VanDerWaalsContact C-N 3.34Å; D530-V532 PolarHBondContact O-N 3.28Å; D530-R533 WeakPolarHBondContact O-CB 3.46Å; D530-R533 WeakPolarHBondContact O-CG 3.35Å; D530-R533 PolarHBondContact O-N 3.38Å; D530-R533 IonicContact OD1-CZ 3.76Å; D530-R533 IonicContact OD1-NH1 3.98Å; D530-R533 IonicContact OD1-NH2 3.71Å; D530-R533 PolarHBondContact OD1-NH2 3.41Å
531	C	93.6	Very high	95.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.2	-35.4	177.8	174	0	0	0	0	112.9	A479 F514 A527 M528 R533 S534 P536	A479-C531 WeakPolarHBondContact CB-SG 3.45Å; F514-C531 HydrophobicContact CD2-CB 4Å; F514-C531 HydrophobicContact CE1-CB 4.22Å; F514-C531 HydrophobicContact CE2-CB 3.57Å; F514-C531 HydrophobicContact CG-CB 4.47Å; F514-C531 HydrophobicContact CZ-CB 3.71Å; A527-C531 WeakPolarHBondContact O-CB 3.42Å; A527-C531 PolarHBondContact O-N 3.45Å; M528-C531 PolarHBondContact O-N 3.07Å; C531-R533 PolarHBondContact O-N 3.39Å; C531-R533 VanDerWaalsContact O-N 3.16Å; C531-S534 PolarHBondContact O-N 3.13Å; C531-S534 VanDerWaalsContact O-N 3.12Å; C531-S534 PolarHBondContact O-OG 3.15Å; C531-P536 WeakPolarHBondContact O-CD 3.5Å
532	V	93.4	Very high	95.8	Very high	25 Å²	25	38.2 Å²	38.2	15%	0.152	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-22	-179.4	170	0	0	0	0	111.7	M528 D530 S534 D535 I539 R562 V564	M528-V532 WeakPolarHBondContact O-CG2 3.37Å; M528-V532 PolarHBondContact O-N 2.7Å; D530-V532 VanDerWaalsContact C-N 3.34Å; D530-V532 PolarHBondContact O-N 3.28Å; V532-S534 PolarHBondContact O-N 3.22Å; V532-D535 WeakPolarHBondContact O-CA 3.5Å; V532-D535 PolarHBondContact O-N 3.38Å; V532-I539 HydrophobicContact CG2-CD1 4.03Å; V532-R562 HydrophobicContact CG1-CG 4.45Å; V532-R562 HydrophobicContact CG2-CG 4.38Å; V532-V564 HydrophobicContact CG1-CG2 4.41Å; V532-V564 HydrophobicContact CG2-CG2 4.11Å
533	R	91.5	Very high	95.9	Very high	193 Å²	193	36.5 Å²	36.5	73%	0.728	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.9	175.5	-57.8	-176.8	-169.3	155.1	16.1	113.8	D530 C531 D535	D530-R533 WeakPolarHBondContact O-CB 3.46Å; D530-R533 WeakPolarHBondContact O-CG 3.35Å; D530-R533 PolarHBondContact O-N 3.38Å; D530-R533 IonicContact OD1-CZ 3.76Å; D530-R533 IonicContact OD1-NH1 3.98Å; D530-R533 IonicContact OD1-NH2 3.71Å; D530-R533 PolarHBondContact OD1-NH2 3.41Å; C531-R533 PolarHBondContact O-N 3.39Å; C531-R533 VanDerWaalsContact O-N 3.16Å; R533-D535 VanDerWaalsContact C-N 3.3Å
534	S	91.6	Very high	95.8	Very high	39 Å²	39	36.9 Å²	36.9	27%	0.273	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	8.5	173.5	65.5	0	0	0	0	113.3	R477 Q512 C531 V532	R477-S534 WeakPolarHBondContact CD-O 3Å; R477-S534 PolarHBondContact NE-O 2.86Å; R477-S534 VanDerWaalsContact NE-O 3.15Å; Q512-S534 PolarHBondContact OE1-OG 2.75Å; C531-S534 PolarHBondContact O-N 3.13Å; C531-S534 VanDerWaalsContact O-N 3.12Å; C531-S534 PolarHBondContact O-OG 3.15Å; V532-S534 PolarHBondContact O-N 3.22Å
535	D	94.6	Very high	95.5	Very high	104 Å²	104	40.8 Å²	40.8	56%	0.556	20%	0.196	S	C	*	.			trans	48.9	51.3	-179.6	-67.2	-28.2	0	0	0	114.4	R477 V532 R533 K537	R477-D535 PolarHBondContact NE-O 3.13Å; R477-D535 PolarHBondContact NH2-O 2.86Å; V532-D535 WeakPolarHBondContact O-CA 3.5Å; V532-D535 PolarHBondContact O-N 3.38Å; R533-D535 VanDerWaalsContact C-N 3.3Å; D535-K537 PolarHBondContact O-N 2.88Å
536	P	96.3	Very high	95.3	Very high	8 Å²	8	47.1 Å²	47.1	5%	0.052	23%	0.229	C	C	.	.			trans	-62.8	138.7	-178.7	29	-36.6	0	0	0	111.6	A479 C531 L538 I539 V564	A479-P536 HydrophobicContact CB-CB 4.49Å; C531-P536 WeakPolarHBondContact O-CD 3.5Å; P536-L538 PolarHBondContact O-N 3.46Å; P536-I539 HydrophobicContact CB-CG1 4.23Å; P536-I539 HydrophobicContact CG-CD1 3.92Å; P536-I539 HydrophobicContact CG-CG1 3.74Å; P536-V564 HydrophobicContact CG-CG1 4.32Å
537	K	96.1	Very high	95.1	Very high	64 Å²	64	42 Å²	42	28%	0.278	21%	0.214	S	C	.	.	S	Bend	trans	-65.5	-26.8	172.9	-65.4	-176.4	179	169.4	0	111.7	D473 L475 D476 R477 D535 L594	D473-K537 IonicContact OD2-NZ 3.25Å; L475-K537 HydrophobicContact CD1-CB 4.17Å; D476-K537 WeakPolarHBondContact OD1-CD 3.39Å; D476-K537 WeakPolarHBondContact OD1-CE 3.4Å; D476-K537 IonicContact OD1-NZ 3.47Å; D476-K537 PolarHBondContact OD1-NZ 3.33Å; D476-K537 IonicContact OD2-NZ 3.29Å; D476-K537 PolarHBondContact OD2-NZ 2.89Å; R477-K537 WeakPolarHBondContact O-CB 3.39Å; R477-K537 PolarHBondContact O-N 3.24Å; D535-K537 PolarHBondContact O-N 2.88Å; K537-L594 HydrophobicContact CB-CD2 3.95Å
538	L	98	Very high	94.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.235	C	C	.	.			trans	-156.6	148.5	179.4	-170.5	138.5	0	0	0	111.4	L475 W478 A479 P536 L540 P565 Q567 L590 K593 L594	L475-L538 HydrophobicContact CD1-CB 4.14Å; W478-L538 WeakPolarHBondContact CA-O 3.29Å; W478-L538 HydrophobicContact CB-CB 4.39Å; W478-L538 VanDerWaalsContact CB-O 3.3Å; W478-L538 WeakPolarHBondContact CB-O 3.41Å; W478-L538 HydrophobicContact CE3-CD2 4.31Å; A479-L538 PolarHBondContact N-O 3.38Å; A479-L538 VanDerWaalsContact N-O 3.07Å; P536-L538 PolarHBondContact O-N 3.46Å; L538-L540 HydrophobicContact CD2-CB 4.39Å; L538-P565 WeakPolarHBondContact CA-O 3.27Å; L538-P565 HydrophobicContact CD1-CB 4.45Å; L538-Q567 HydrophobicContact CD2-CB 4.25Å; L538-L590 HydrophobicContact CD1-CB 4.44Å; L538-L590 HydrophobicContact CD1-CD2 3.52Å; L538-L590 HydrophobicContact CD2-CD2 3.69Å; L538-L590 HydrophobicContact CG-CD2 4.27Å; L538-K593 HydrophobicContact CD1-CB 3.99Å; L538-K593 HydrophobicContact CD1-CD 4.34Å; L538-L594 HydrophobicContact CB-CD2 4.43Å
539	I	98.4	Very high	94.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.9	171.2	-59.5	171.9	0	0	0	109.9	A479 I481 V532 P536 V564 P565 T566 Q567	A479-I539 CarbonylContact O-C 3.53Å; A479-I539 WeakPolarHBondContact O-CA 3.13Å; I481-I539 HydrophobicContact CD1-CG2 3.72Å; I481-I539 HydrophobicContact CG1-CG2 4.09Å; V532-I539 HydrophobicContact CG2-CD1 4.03Å; P536-I539 HydrophobicContact CB-CG1 4.23Å; P536-I539 HydrophobicContact CG-CD1 3.92Å; P536-I539 HydrophobicContact CG-CG1 3.74Å; I539-V564 HydrophobicContact CD1-CG1 3.87Å; I539-V564 HydrophobicContact CG1-CG1 3.86Å; I539-P565 PolarHBondContact N-O 3.05Å; I539-T566 HydrophobicContact CB-CG2 4.38Å; I539-T566 CarbonylContact O-C 3.54Å; I539-T566 WeakPolarHBondContact O-CA 3.48Å; I539-Q567 PolarHBondContact O-N 2.82Å
540	L	98.5	Very high	94.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.5	173.3	-174.1	155.3	0	0	0	110.4	W478 A479 V480 I481 L493 L538 Q567 V569	W478-L540 HydrophobicContact CZ3-CB 4.04Å; W478-L540 HydrophobicContact CZ3-CD1 4.29Å; A479-L540 PolarHBondContact O-N 2.81Å; V480-L540 CarbonylContact C-O 3.41Å; V480-L540 VanDerWaalsContact CA-O 3.27Å; V480-L540 WeakPolarHBondContact CA-O 3.25Å; V480-L540 HydrophobicContact CG1-CD2 4.26Å; V480-L540 HydrophobicContact CG2-CB 4.23Å; I481-L540 PolarHBondContact N-O 3.24Å; L493-L540 HydrophobicContact CD2-CD2 4.42Å; L538-L540 HydrophobicContact CD2-CB 4.39Å; L540-Q567 CarbonylContact C-O 3.59Å; L540-Q567 WeakPolarHBondContact CA-O 3.2Å; L540-Q567 HydrophobicContact CB-CB 4.28Å; L540-Q567 HydrophobicContact CD1-CB 4.37Å; L540-Q567 HydrophobicContact CD1-CG 4.13Å; L540-Q567 HydrophobicContact CG-CB 4.14Å; L540-Q567 HydrophobicContact CG-CG 4.21Å; L540-V569 HydrophobicContact CD1-CG2 4.31Å; L540-V569 HydrophobicContact CD2-CG2 4.4Å; L540-V569 HydrophobicContact CG-CG2 4.41Å
541	C	98.2	Very high	94.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.5	176.3	-57.8	0	0	0	0	110.5	I481 Y524 I554 Q567 V568 V569	I481-C541 WeakPolarHBondContact O-CA 3.1Å; Y524-C541 HydrophobicContact CD1-CB 4.32Å; Y524-C541 HydrophobicContact CE1-CB 4.29Å; C541-I554 HydrophobicContact CB-CD1 4.09Å; C541-Q567 PolarHBondContact N-O 3.5Å; C541-V568 WeakPolarHBondContact O-CA 3.49Å; C541-V569 PolarHBondContact O-N 3.33Å
542	L	97.9	Very high	94.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	110.2	172.6	-179.8	65.4	0	0	0	109.4	I481 A482 N486 L490 L493 Y524 V569 T574	I481-L542 PolarHBondContact O-N 3.11Å; A482-L542 HydrophobicContact CB-CB 3.96Å; A482-L542 HydrophobicContact CB-CD2 4.29Å; N486-L542 HydrophobicContact CB-CD2 4.12Å; L490-L542 HydrophobicContact CB-CD2 3.86Å; L490-L542 HydrophobicContact CD1-CD2 4.36Å; L493-L542 HydrophobicContact CD2-CD1 4.35Å; Y524-L542 PolarHBondContact OH-O 3.46Å; L542-V569 WeakPolarHBondContact CA-O 3.45Å; L542-V569 HydrophobicContact CD1-CB 4.31Å; L542-V569 HydrophobicContact CD1-CG1 4.3Å; L542-T574 HydrophobicContact CD1-CG2 3.8Å
543	V	96.7	Very high	95	Very high	6 Å²	6	50 Å²	50	4%	0.036	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	144.6	-176.1	-61.2	0	0	0	0	112	Y524 N545 I554 V568 V569 T570 L571	Y524-V543 HydrophobicContact CE1-CG1 4.38Å; V543-N545 PolarHBondContact O-N 3.35Å; V543-I554 HydrophobicContact CG1-CD1 4.11Å; V543-V568 HydrophobicContact CB-CG1 4.44Å; V543-V568 HydrophobicContact CG1-CG1 3.9Å; V543-V568 HydrophobicContact CG2-CG1 3.66Å; V543-V569 WeakPolarHBondContact CG2-O 3.38Å; V543-V569 PolarHBondContact N-O 2.95Å; V543-T570 HydrophobicContact CG2-CG2 4.08Å; V543-T570 CarbonylContact O-C 3.58Å; V543-T570 WeakPolarHBondContact O-CA 3.44Å; V543-L571 PolarHBondContact O-N 2.67Å
544	P	93.8	Very high	95.3	Very high	23 Å²	23	40.9 Å²	40.9	15%	0.149	23%	0.225	C	C	.	.	S	Bend	trans	-70.5	-33.8	-175.4	26.8	-34.7	0	0	0	113.4	D519	D519-P544 HydrophobicContact CB-CG 3.92Å; D519-P544 WeakPolarHBondContact OD2-CG 3.39Å
545	N	92.6	Very high	95.6	Very high	83 Å²	83	39.2 Å²	39.2	44%	0.444	21%	0.212	S	C	.	.	S	Bend	trans	-147.4	170.5	-174.2	59.2	2.6	0	0	0	112	V543 N547 R550	V543-N545 PolarHBondContact O-N 3.35Å; N545-N547 PolarHBondContact O-N 3.5Å; N545-N547 WeakPolarHBondContact OD1-CB 3.43Å; N545-R550 PolarHBondContact OD1-NH1 2.97Å
546	D	91	Very high	95.7	Very high	151 Å²	151	37.4 Å²	37.4	81%	0.807	20%	0.2	S	C	*	.			trans	-79.9	64.1	177.3	-164.1	2.5	0	0	0	110.9
547	N	92.6	Very high	95.8	Very high	52 Å²	52	41.3 Å²	41.3	28%	0.278	21%	0.213	S	C	.	.			trans	-91.3	110.5	177.3	-177.3	-29.4	0	0	0	110	N545 E549 R550 Y551	N545-N547 PolarHBondContact O-N 3.5Å; N545-N547 WeakPolarHBondContact OD1-CB 3.43Å; N547-E549 VanDerWaalsContact C-N 3.34Å; N547-E549 PolarHBondContact O-N 3.1Å; N547-E549 WeakPolarHBondContact OD1-CB 3.5Å; N547-E549 PolarHBondContact OD1-N 2.91Å; N547-R550 HydrophobicContact CB-CB 4.25Å; N547-R550 PolarHBondContact O-N 2.78Å; N547-R550 PolarHBondContact OD1-N 2.91Å; N547-Y551 WeakPolarHBondContact O-CB 3.06Å; N547-Y551 PolarHBondContact O-N 2.89Å
548	A	89.7	Confident	95.8	Very high	63 Å²	63	38.3 Å²	38.3	52%	0.521	20%	0.201	S	C	.	.	H	α-helix	trans	-63.2	-33.8	-178.7	0	0	0	0	0	113.8	S552	A548-S552 VanDerWaalsContact O-CB 3.29Å; A548-S552 WeakPolarHBondContact O-CB 3.3Å; A548-S552 PolarHBondContact O-N 2.95Å; A548-S552 PolarHBondContact O-OG 3.06Å
549	E	91.5	Very high	95.8	Very high	131 Å²	131	38.3 Å²	38.3	61%	0.612	20%	0.201	S	C	*	.	H	α-helix	trans	-67.3	-47.8	179.4	-172.2	-166.5	153.4	0	0	111	N547 S552 S553	N547-E549 VanDerWaalsContact C-N 3.34Å; N547-E549 PolarHBondContact O-N 3.1Å; N547-E549 WeakPolarHBondContact OD1-CB 3.5Å; N547-E549 PolarHBondContact OD1-N 2.91Å; E549-S552 PolarHBondContact O-N 2.92Å; E549-S553 WeakPolarHBondContact O-CB 3.33Å; E549-S553 PolarHBondContact O-N 3.15Å; E549-S553 PolarHBondContact O-OG 2.8Å
550	R	95.6	Very high	95.7	Very high	16 Å²	16	39.6 Å²	39.6	6%	0.06	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-47.2	176.3	-172.1	-173.1	-61.8	113	-2.7	110.9	D519 Y524 N545 N547 S552 S553 I554	D519-R550 PolarHBondContact O-NE 2.98Å; D519-R550 PolarHBondContact O-NH2 3.45Å; D519-R550 IonicContact OD2-NH2 3.48Å; Y524-R550 HydrophobicContact CD2-CG 4.26Å; N545-R550 PolarHBondContact OD1-NH1 2.97Å; N547-R550 HydrophobicContact CB-CB 4.25Å; N547-R550 PolarHBondContact O-N 2.78Å; N547-R550 PolarHBondContact OD1-N 2.91Å; R550-S552 VanDerWaalsContact C-N 3.34Å; R550-S552 PolarHBondContact O-N 3.42Å; R550-S553 PolarHBondContact O-N 3.09Å; R550-I554 HydrophobicContact CG-CD1 3.99Å; R550-I554 WeakPolarHBondContact O-CG1 3.42Å; R550-I554 PolarHBondContact O-N 3.17Å
551	Y	97	Very high	95.5	Very high	57 Å²	57	42 Å²	42	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-57.4	-46.8	177	173.9	-94.7	0	0	0	111.8	N547 S553 I554 K555 V568 L823 N827	N547-Y551 WeakPolarHBondContact O-CB 3.06Å; N547-Y551 PolarHBondContact O-N 2.89Å; Y551-S553 VanDerWaalsContact C-N 3.34Å; Y551-S553 PolarHBondContact O-N 3.07Å; Y551-I554 PolarHBondContact O-N 2.71Å; Y551-K555 HydrophobicContact CD1-CG 4.32Å; Y551-K555 HydrophobicContact CD2-CG 4.39Å; Y551-K555 HydrophobicContact CE1-CG 3.92Å; Y551-K555 HydrophobicContact CE2-CD 4.37Å; Y551-K555 HydrophobicContact CE2-CG 4Å; Y551-K555 WeakPolarHBondContact O-CB 3.43Å; Y551-K555 VanDerWaalsContact O-CG 3.24Å; Y551-K555 WeakPolarHBondContact O-CG 3.2Å; Y551-K555 PolarHBondContact O-N 3.34Å; Y551-V568 HydrophobicContact CD2-CB 4.22Å; Y551-V568 HydrophobicContact CD2-CG1 4.24Å; Y551-V568 HydrophobicContact CD2-CG2 4.03Å; Y551-V568 HydrophobicContact CE2-CB 4.32Å; Y551-V568 HydrophobicContact CE2-CG2 4.16Å; Y551-L823 HydrophobicContact CE1-CD1 4.32Å; Y551-N827 WeakPolarHBondContact CD1-ND2 3.3Å; Y551-N827 HydrophobicContact CE1-CB 4.29Å
552	S	96.3	Very high	95.3	Very high	24 Å²	24	46.7 Å²	46.7	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-41	-179.9	-57	0	0	0	0	111.8	A548 E549 R550 K555 K556 N827	A548-S552 VanDerWaalsContact O-CB 3.29Å; A548-S552 WeakPolarHBondContact O-CB 3.3Å; A548-S552 PolarHBondContact O-N 2.95Å; A548-S552 PolarHBondContact O-OG 3.06Å; E549-S552 PolarHBondContact O-N 2.92Å; R550-S552 VanDerWaalsContact C-N 3.34Å; R550-S552 PolarHBondContact O-N 3.42Å; S552-K555 PolarHBondContact O-N 2.81Å; S552-K556 WeakPolarHBondContact O-CB 3.49Å; S552-K556 PolarHBondContact O-N 3.2Å; S552-N827 PolarHBondContact OG-ND2 3.17Å
553	S	97.4	Very high	95.3	Very high	36 Å²	36	48.1 Å²	48.1	25%	0.252	25%	0.251	S	S	.	.	H	α-helix	trans	-66.2	-44.2	178.5	-60.5	0	0	0	0	112.6	T521 E549 R550 Y551 K555 K556 R557	T521-S553 WeakPolarHBondContact CG2-OG 3.31Å; E549-S553 WeakPolarHBondContact O-CB 3.33Å; E549-S553 PolarHBondContact O-N 3.15Å; E549-S553 PolarHBondContact O-OG 2.8Å; R550-S553 PolarHBondContact O-N 3.09Å; Y551-S553 VanDerWaalsContact C-N 3.34Å; Y551-S553 PolarHBondContact O-N 3.07Å; S553-K555 VanDerWaalsContact C-N 3.33Å; S553-K555 PolarHBondContact O-N 2.85Å; S553-K556 PolarHBondContact O-N 3.21Å; S553-R557 WeakPolarHBondContact O-CB 3.39Å; S553-R557 WeakPolarHBondContact O-CG 3.44Å; S553-R557 PolarHBondContact O-N 3.33Å
554	I	97.8	Very high	95.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-46.7	173.7	-71.7	168.6	0	0	0	110.3	Y524 M528 C541 V543 R550 Y551 G558 V568	Y524-I554 HydrophobicContact CD1-CD1 4.06Å; Y524-I554 HydrophobicContact CG-CD1 4.14Å; M528-I554 HydrophobicContact CE-CG2 4.33Å; M528-I554 HydrophobicContact SD-CB 4.22Å; M528-I554 HydrophobicContact SD-CG1 4.24Å; M528-I554 HydrophobicContact SD-CG2 3.83Å; C541-I554 HydrophobicContact CB-CD1 4.09Å; V543-I554 HydrophobicContact CG1-CD1 4.11Å; R550-I554 HydrophobicContact CG-CD1 3.99Å; R550-I554 WeakPolarHBondContact O-CG1 3.42Å; R550-I554 PolarHBondContact O-N 3.17Å; Y551-I554 PolarHBondContact O-N 2.71Å; I554-G558 PolarHBondContact O-N 2.93Å; I554-V568 HydrophobicContact CG2-CG2 4.15Å
555	K	97.8	Very high	95.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.017	25%	0.247	C	C	.	.	H	α-helix	trans	-67.2	-41.1	-178.5	-69.7	-70.7	172.1	-164	0	112.5	Y551 S552 S553 G558 Y559 T566 L823 L828	Y551-K555 HydrophobicContact CD1-CG 4.32Å; Y551-K555 HydrophobicContact CD2-CG 4.39Å; Y551-K555 HydrophobicContact CE1-CG 3.92Å; Y551-K555 HydrophobicContact CE2-CD 4.37Å; Y551-K555 HydrophobicContact CE2-CG 4Å; Y551-K555 WeakPolarHBondContact O-CB 3.43Å; Y551-K555 VanDerWaalsContact O-CG 3.24Å; Y551-K555 WeakPolarHBondContact O-CG 3.2Å; Y551-K555 PolarHBondContact O-N 3.34Å; S552-K555 PolarHBondContact O-N 2.81Å; S553-K555 VanDerWaalsContact C-N 3.33Å; S553-K555 PolarHBondContact O-N 2.85Å; K555-G558 PolarHBondContact O-N 2.8Å; K555-Y559 HydrophobicContact CD-CD2 4.14Å; K555-Y559 HydrophobicContact CD-CE2 3.45Å; K555-Y559 VanDerWaalsContact CD-CE2 3.45Å; K555-Y559 PolarHBondContact NZ-OH 2.85Å; K555-Y559 WeakPolarHBondContact O-CB 3.45Å; K555-Y559 PolarHBondContact O-N 2.83Å; K555-T566 PolarHBondContact NZ-O 2.98Å; K555-T566 PolarHBondContact NZ-OG1 2.86Å; K555-L823 HydrophobicContact CG-CD1 4.48Å; K555-L828 VanDerWaalsContact C-CD2 3.47Å; K555-L828 HydrophobicContact CB-CD2 3.71Å; K555-L828 WeakPolarHBondContact O-CD2 3.5Å
556	K	96.8	Very high	95.8	Very high	67 Å²	67	43.6 Å²	43.6	29%	0.291	23%	0.226	S	C	.	.	H	α-helix	trans	-62.3	-48.1	177	-171.9	173.8	-179.2	177.2	0	111.4	S552 S553 G558 Y559 V560 D561 L828	S552-K556 WeakPolarHBondContact O-CB 3.49Å; S552-K556 PolarHBondContact O-N 3.2Å; S553-K556 PolarHBondContact O-N 3.21Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 3.47Å; K556-Y559 PolarHBondContact O-N 3.49Å; K556-V560 HydrophobicContact CG-CB 4.19Å; K556-V560 HydrophobicContact CG-CG2 4.27Å; K556-V560 WeakPolarHBondContact O-CA 3.33Å; K556-V560 WeakPolarHBondContact O-CB 3.34Å; K556-V560 PolarHBondContact O-N 2.98Å; K556-D561 PolarHBondContact O-N 2.96Å; K556-L828 HydrophobicContact CB-CD2 4.49Å
557	R	97.3	Very high	96.1	Very high	90 Å²	90	37 Å²	37	34%	0.34	19%	0.19	S	C	.	.	H	α-helix	trans	-62.6	-40.5	177.7	-69.5	-75.5	-179	-94.5	2.5	112.5	V525 M528 S553 D561 R562	V525-R557 HydrophobicContact CB-CG 4.39Å; V525-R557 HydrophobicContact CG1-CG 3.76Å; V525-R557 VanDerWaalsContact CG1-NE 3.34Å; V525-R557 HydrophobicContact CG2-CG 3.92Å; M528-R557 HydrophobicContact CE-CB 4.39Å; S553-R557 WeakPolarHBondContact O-CB 3.39Å; S553-R557 WeakPolarHBondContact O-CG 3.44Å; S553-R557 PolarHBondContact O-N 3.33Å; R557-D561 WeakPolarHBondContact CA-OD2 3.35Å; R557-D561 VanDerWaalsContact CD-OD2 3.28Å; R557-D561 WeakPolarHBondContact CD-OD2 3.35Å; R557-D561 IonicContact CZ-OD2 3.93Å; R557-D561 IonicContact NE-OD2 2.68Å; R557-D561 IonicContact NH1-OD1 2.85Å; R557-D561 IonicContact NH1-OD2 3.39Å; R557-D561 PolarHBondContact NH1-OD2 3.04Å; R557-R562 WeakPolarHBondContact O-CB 3.24Å; R557-R562 VanDerWaalsContact O-CG 3.31Å; R557-R562 WeakPolarHBondContact O-CG 3.1Å; R557-R562 PolarHBondContact O-N 3.05Å
558	G	96.6	Very high	96.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-71.2	-35.5	179.4	0	0	0	0	0	115.1	I554 K555 K556 R562 V564	I554-G558 PolarHBondContact O-N 2.93Å; K555-G558 PolarHBondContact O-N 2.8Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 3.47Å; G558-R562 CarbonylContact C-O 3.58Å; G558-R562 CarbonylContact O-C 3.6Å; G558-V564 PolarHBondContact O-N 3.3Å
559	Y	97.8	Very high	96.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-114.7	-25.5	-166.8	-57.7	-19.8	0	0	0	115.7	K555 K556 R562 V564 T566 L823 L828 P832 Q833 L836 Y841	K555-Y559 HydrophobicContact CD-CD2 4.14Å; K555-Y559 HydrophobicContact CD-CE2 3.45Å; K555-Y559 VanDerWaalsContact CD-CE2 3.45Å; K555-Y559 PolarHBondContact NZ-OH 2.85Å; K555-Y559 WeakPolarHBondContact O-CB 3.45Å; K555-Y559 PolarHBondContact O-N 2.83Å; K556-Y559 PolarHBondContact O-N 3.49Å; Y559-R562 CarbonylContact C-O 3.51Å; Y559-R562 VanDerWaalsContact CA-O 3.27Å; Y559-R562 WeakPolarHBondContact CA-O 3.09Å; Y559-V564 WeakPolarHBondContact CD1-O 3.39Å; Y559-V564 VanDerWaalsContact CE1-O 3.26Å; Y559-V564 WeakPolarHBondContact CE1-O 3.32Å; Y559-T566 HydrophobicContact CE1-CG2 4.26Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.39Å; Y559-T566 PolarHBondContact OH-N 2.95Å; Y559-T566 PolarHBondContact OH-O 3.07Å; Y559-T566 PolarHBondContact OH-OG1 2.97Å; Y559-L823 HydrophobicContact CD2-CD2 4.27Å; Y559-L823 HydrophobicContact CE2-CD2 4.09Å; Y559-L828 HydrophobicContact CD2-CD1 4.38Å; Y559-L828 HydrophobicContact CD2-CD2 4.35Å; Y559-P832 CarbonylContact O-C 3.6Å; Y559-P832 WeakPolarHBondContact O-CA 3.36Å; Y559-Q833 PolarHBondContact O-N 3.06Å; Y559-L836 HydrophobicContact CD1-CD1 3.96Å; Y559-L836 HydrophobicContact CG-CD1 4.3Å; Y559-Y841 HydrophobicContact CD1-CD2 4.33Å; Y559-Y841 AromaticContact CD2-CD2 3.82Å; Y559-Y841 HydrophobicContact CD2-CD2 3.82Å; Y559-Y841 HydrophobicContact CD2-CE2 4.34Å; Y559-Y841 HydrophobicContact CE1-CD2 4.5Å; Y559-Y841 AromaticContact CE2-CD2 3.9Å; Y559-Y841 HydrophobicContact CE2-CD2 3.9Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.3Å; Y559-Y841 HydrophobicContact CG-CD2 4.03Å; Y559-Y841 VanDerWaalsContact CZ-O 3.24Å; Y559-Y841 PolarHBondContact OH-O 2.86Å
560	V	96.8	Very high	97	Very high	27 Å²	27	28.8 Å²	28.8	16%	0.164	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-53.5	-179.4	179.9	0	0	0	0	109.2	K556 R562 L828 Q833	K556-V560 HydrophobicContact CG-CB 4.19Å; K556-V560 HydrophobicContact CG-CG2 4.27Å; K556-V560 WeakPolarHBondContact O-CA 3.33Å; K556-V560 WeakPolarHBondContact O-CB 3.34Å; K556-V560 PolarHBondContact O-N 2.98Å; V560-R562 VanDerWaalsContact C-N 3.34Å; V560-L828 HydrophobicContact CG2-CB 4.17Å; V560-L828 HydrophobicContact CG2-CD1 4.46Å; V560-L828 HydrophobicContact CG2-CD2 4.36Å; V560-Q833 VanDerWaalsContact O-CG 3.26Å; V560-Q833 WeakPolarHBondContact O-CG 3.31Å; V560-Q833 PolarHBondContact O-NE2 3.34Å
561	D	95.1	Very high	97	Very high	50 Å²	50	29.2 Å²	29.2	27%	0.267	15%	0.147	S	C	.	.	S	Bend	trans	-79.5	-23.6	-177.4	-50	-51.7	0	0	0	112.1	K556 R557 Q833	K556-D561 PolarHBondContact O-N 2.96Å; R557-D561 WeakPolarHBondContact CA-OD2 3.35Å; R557-D561 VanDerWaalsContact CD-OD2 3.28Å; R557-D561 WeakPolarHBondContact CD-OD2 3.35Å; R557-D561 IonicContact CZ-OD2 3.93Å; R557-D561 IonicContact NE-OD2 2.68Å; R557-D561 IonicContact NH1-OD1 2.85Å; R557-D561 IonicContact NH1-OD2 3.39Å; R557-D561 PolarHBondContact NH1-OD2 3.04Å; D561-Q833 VanDerWaalsContact C-NE2 3.34Å; D561-Q833 PolarHBondContact O-NE2 3.27Å
562	R	94.3	Very high	96.8	Very high	100 Å²	100	35 Å²	35	38%	0.377	17%	0.174	S	C	.	.	S	Bend	trans	-135.3	175.1	175.5	-51.7	-65.6	177.5	-113.1	-0.6	109.7	D529 V532 R557 G558 Y559 V560	D529-R562 IonicContact OD1-CZ 3.46Å; D529-R562 IonicContact OD1-NE 2.67Å; D529-R562 PolarHBondContact OD1-NE 3.01Å; D529-R562 IonicContact OD1-NH2 3.42Å; D529-R562 PolarHBondContact OD1-NH2 2.84Å; V532-R562 HydrophobicContact CG1-CG 4.45Å; V532-R562 HydrophobicContact CG2-CG 4.38Å; R557-R562 WeakPolarHBondContact O-CB 3.24Å; R557-R562 VanDerWaalsContact O-CG 3.31Å; R557-R562 WeakPolarHBondContact O-CG 3.1Å; R557-R562 PolarHBondContact O-N 3.05Å; G558-R562 CarbonylContact C-O 3.58Å; G558-R562 CarbonylContact O-C 3.6Å; Y559-R562 CarbonylContact C-O 3.51Å; Y559-R562 VanDerWaalsContact CA-O 3.27Å; Y559-R562 WeakPolarHBondContact CA-O 3.09Å; V560-R562 VanDerWaalsContact C-N 3.34Å
563	A	96.7	Very high	96.6	Very high	30 Å²	30	35.4 Å²	35.4	25%	0.248	18%	0.175	C	C	.	.			trans	-119.4	48.4	176.7	0	0	0	0	0	112.5	Q833 A835 L836	A563-Q833 HydrophobicContact CB-CB 4.11Å; A563-A835 HydrophobicContact CB-CB 3.81Å; A563-L836 HydrophobicContact CB-CD2 4.41Å; A563-L836 HydrophobicContact CB-CG 4.21Å; A563-L836 WeakPolarHBondContact O-CD2 3.26Å
564	V	97.3	Very high	96.3	Very high	15 Å²	15	34.1 Å²	34.1	9%	0.091	17%	0.166	C	C	.	.			trans	-113	119.8	-177.2	-177.9	0	0	0	0	110.9	V532 P536 I539 G558 Y559 T566	V532-V564 HydrophobicContact CG1-CG2 4.41Å; V532-V564 HydrophobicContact CG2-CG2 4.11Å; P536-V564 HydrophobicContact CG-CG1 4.32Å; I539-V564 HydrophobicContact CD1-CG1 3.87Å; I539-V564 HydrophobicContact CG1-CG1 3.86Å; G558-V564 PolarHBondContact O-N 3.3Å; Y559-V564 WeakPolarHBondContact CD1-O 3.39Å; Y559-V564 VanDerWaalsContact CE1-O 3.26Å; Y559-V564 WeakPolarHBondContact CE1-O 3.32Å; V564-T566 PolarHBondContact O-N 2.82Å
565	P	97.8	Very high	95.9	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.013	19%	0.194	C	C	.	.			trans	-56.5	134.3	172.8	-24.2	34	0	0	0	112.1	L538 I539 K593 L836 K839	L538-P565 WeakPolarHBondContact CA-O 3.27Å; L538-P565 HydrophobicContact CD1-CB 4.45Å; I539-P565 PolarHBondContact N-O 3.05Å; P565-K593 HydrophobicContact CB-CB 4.09Å; P565-L836 HydrophobicContact CG-CD2 4.11Å; P565-K839 HydrophobicContact CG-CD 4.02Å
566	T	98.3	Very high	95.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.6	-178.5	58.6	0	0	0	0	112.2	M528 I539 K555 Y559 V564 K593	M528-T566 HydrophobicContact CE-CG2 3.78Å; I539-T566 HydrophobicContact CB-CG2 4.38Å; I539-T566 CarbonylContact O-C 3.54Å; I539-T566 WeakPolarHBondContact O-CA 3.48Å; K555-T566 PolarHBondContact NZ-O 2.98Å; K555-T566 PolarHBondContact NZ-OG1 2.86Å; Y559-T566 HydrophobicContact CE1-CG2 4.26Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.39Å; Y559-T566 PolarHBondContact OH-N 2.95Å; Y559-T566 PolarHBondContact OH-O 3.07Å; Y559-T566 PolarHBondContact OH-OG1 2.97Å; V564-T566 PolarHBondContact O-N 2.82Å; T566-K593 PolarHBondContact O-NZ 2.94Å
567	Q	98.3	Very high	95.2	Very high	11 Å²	11	53 Å²	53	5%	0.051	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.9	169.4	-177	60.3	35.2	0	0	109.4	L538 I539 L540 C541 V569 I586 Q589 L590	L538-Q567 HydrophobicContact CD2-CB 4.25Å; I539-Q567 PolarHBondContact O-N 2.82Å; L540-Q567 CarbonylContact C-O 3.59Å; L540-Q567 WeakPolarHBondContact CA-O 3.2Å; L540-Q567 HydrophobicContact CB-CB 4.28Å; L540-Q567 HydrophobicContact CD1-CB 4.37Å; L540-Q567 HydrophobicContact CD1-CG 4.13Å; L540-Q567 HydrophobicContact CG-CB 4.14Å; L540-Q567 HydrophobicContact CG-CG 4.21Å; C541-Q567 PolarHBondContact N-O 3.5Å; Q567-V569 HydrophobicContact CG-CG2 4.15Å; Q567-I586 HydrophobicContact CG-CG2 4.31Å; Q567-Q589 VanDerWaalsContact OE1-CD 3.27Å; Q567-L590 HydrophobicContact CB-CD2 3.75Å; Q567-L590 HydrophobicContact CG-CD2 3.95Å
568	V	98.2	Very high	95	Very high	27 Å²	27	52.1 Å²	52.1	16%	0.164	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.1	173.8	-178.8	0	0	0	0	108	C541 V543 Y551 I554	C541-V568 WeakPolarHBondContact O-CA 3.49Å; V543-V568 HydrophobicContact CB-CG1 4.44Å; V543-V568 HydrophobicContact CG1-CG1 3.9Å; V543-V568 HydrophobicContact CG2-CG1 3.66Å; Y551-V568 HydrophobicContact CD2-CB 4.22Å; Y551-V568 HydrophobicContact CD2-CG1 4.24Å; Y551-V568 HydrophobicContact CD2-CG2 4.03Å; Y551-V568 HydrophobicContact CE2-CB 4.32Å; Y551-V568 HydrophobicContact CE2-CG2 4.16Å; I554-V568 HydrophobicContact CG2-CG2 4.15Å
569	V	97.9	Very high	94.8	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.6	176.6	-177.4	0	0	0	0	108.3	L493 L540 C541 L542 V543 Q567 T573 T574 I586	L493-V569 HydrophobicContact CD1-CG1 4.43Å; L493-V569 HydrophobicContact CD2-CB 4.14Å; L493-V569 HydrophobicContact CD2-CG1 3.88Å; L493-V569 HydrophobicContact CD2-CG2 4.22Å; L540-V569 HydrophobicContact CD1-CG2 4.31Å; L540-V569 HydrophobicContact CD2-CG2 4.4Å; L540-V569 HydrophobicContact CG-CG2 4.41Å; C541-V569 PolarHBondContact O-N 3.33Å; L542-V569 WeakPolarHBondContact CA-O 3.45Å; L542-V569 HydrophobicContact CD1-CB 4.31Å; L542-V569 HydrophobicContact CD1-CG1 4.3Å; V543-V569 WeakPolarHBondContact CG2-O 3.38Å; V543-V569 PolarHBondContact N-O 2.95Å; Q567-V569 HydrophobicContact CG-CG2 4.15Å; V569-T573 HydrophobicContact CG1-CG2 4.19Å; V569-T574 HydrophobicContact CG1-CG2 4.42Å; V569-I586 HydrophobicContact CG2-CD1 4.05Å
570	T	96.4	Very high	94.5	Very high	42 Å²	42	56.7 Å²	56.7	26%	0.258	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	144	176	57	0	0	0	0	110.5	V543 K572 T573	V543-T570 HydrophobicContact CG2-CG2 4.08Å; V543-T570 CarbonylContact O-C 3.58Å; V543-T570 WeakPolarHBondContact O-CA 3.44Å; T570-K572 PolarHBondContact O-N 2.74Å; T570-T573 WeakPolarHBondContact O-CA 3.18Å; T570-T573 WeakPolarHBondContact O-CB 3.47Å; T570-T573 PolarHBondContact O-N 2.81Å; T570-T573 PolarHBondContact O-OG1 3.11Å; T570-T573 PolarHBondContact OG1-OG1 2.68Å
571	L	94.6	Very high	94.3	Very high	25 Å²	25	57.2 Å²	57.2	13%	0.131	28%	0.279	C	S	.	.	H	α-helix	trans	-57.7	-32.6	179.6	-174.1	63.6	0	0	0	113.2	N486 E489 V543 T573 T574	N486-L571 HydrophobicContact CB-CD1 4.4Å; N486-L571 VanDerWaalsContact ND2-CD1 3.25Å; N486-L571 WeakPolarHBondContact ND2-CD1 3.35Å; N486-L571 VanDerWaalsContact ND2-CD2 3.3Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.39Å; E489-L571 HydrophobicContact CB-CD1 3.8Å; E489-L571 HydrophobicContact CG-CD1 3.84Å; V543-L571 PolarHBondContact O-N 2.67Å; L571-T573 PolarHBondContact O-N 2.89Å; L571-T573 VanDerWaalsContact O-N 3.15Å; L571-T574 PolarHBondContact O-N 3.48Å; L571-T574 PolarHBondContact O-OG1 2.97Å
572	K	93.6	Very high	94.2	Very high	180 Å²	180	56.8 Å²	56.8	78%	0.783	28%	0.277	S	S	*	.	H	α-helix	trans	-58	-28.9	174.2	-175	176	179.4	177.8	0	112.5	T570	T570-K572 PolarHBondContact O-N 2.74Å
573	T	93.1	Very high	94.2	Very high	32 Å²	32	52 Å²	52	20%	0.196	26%	0.259	C	S	.	.	H	α-helix	trans	-70.5	-38.9	-179.4	-57.1	0	0	0	0	111.8	V569 T570 L571 K575 N576 I582	V569-T573 HydrophobicContact CG1-CG2 4.19Å; T570-T573 WeakPolarHBondContact O-CA 3.18Å; T570-T573 WeakPolarHBondContact O-CB 3.47Å; T570-T573 PolarHBondContact O-N 2.81Å; T570-T573 PolarHBondContact O-OG1 3.11Å; T570-T573 PolarHBondContact OG1-OG1 2.68Å; L571-T573 PolarHBondContact O-N 2.89Å; L571-T573 VanDerWaalsContact O-N 3.15Å; T573-K575 VanDerWaalsContact C-N 3.27Å; T573-K575 PolarHBondContact O-N 2.93Å; T573-N576 VanDerWaalsContact O-CB 3.23Å; T573-N576 WeakPolarHBondContact O-CB 3.33Å; T573-N576 PolarHBondContact O-N 3.19Å; T573-I582 HydrophobicContact CG2-CB 4.45Å; T573-I582 HydrophobicContact CG2-CD1 4.09Å; T573-I582 HydrophobicContact CG2-CG2 3.52Å
574	T	89.8	Confident	94.1	Very high	9 Å²	9	52 Å²	52	6%	0.055	26%	0.256	C	S	.	.	H	α-helix	trans	-69.9	-26.5	-178	64.2	0	0	0	0	112.3	L493 L542 V569 L571 N576	L493-T574 HydrophobicContact CB-CG2 3.88Å; L493-T574 HydrophobicContact CD1-CG2 4.39Å; L493-T574 HydrophobicContact CD2-CG2 3.99Å; L493-T574 HydrophobicContact CG-CG2 4.31Å; L542-T574 HydrophobicContact CD1-CG2 3.8Å; V569-T574 HydrophobicContact CG1-CG2 4.42Å; L571-T574 PolarHBondContact O-N 3.48Å; L571-T574 PolarHBondContact O-OG1 2.97Å; T574-N576 VanDerWaalsContact C-N 3.29Å; T574-N576 PolarHBondContact O-N 3.35Å
575	K	89.3	Confident	94	Very high	135 Å²	135	55.7 Å²	55.7	59%	0.587	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	4.7	177.2	-55.7	-171	-178.3	-160.5	0	113.7	E489 T573	E489-K575 WeakPolarHBondContact OE1-CE 3.36Å; E489-K575 IonicContact OE1-NZ 3.22Å; E489-K575 PolarHBondContact OE1-NZ 2.77Å; T573-K575 VanDerWaalsContact C-N 3.27Å; T573-K575 PolarHBondContact O-N 2.93Å
576	N	92.1	Very high	94	Very high	74 Å²	74	56.1 Å²	56.1	40%	0.396	27%	0.272	S	S	.	.			trans	-80.5	133.8	-175.8	-166.9	-48	0	0	0	111.6	T573 T574 S578 L579 I582	T573-N576 VanDerWaalsContact O-CB 3.23Å; T573-N576 WeakPolarHBondContact O-CB 3.33Å; T573-N576 PolarHBondContact O-N 3.19Å; T574-N576 VanDerWaalsContact C-N 3.29Å; T574-N576 PolarHBondContact O-N 3.35Å; N576-S578 PolarHBondContact O-N 2.83Å; N576-S578 VanDerWaalsContact O-N 3.11Å; N576-S578 PolarHBondContact OD1-N 3.31Å; N576-L579 WeakPolarHBondContact O-CB 3.5Å; N576-L579 PolarHBondContact O-N 3.14Å; N576-L579 VanDerWaalsContact O-N 3.11Å; N576-I582 HydrophobicContact CB-CD1 3.88Å
577	R	89.3	Confident	93.9	Very high	259 Å²	259	56.1 Å²	56.1	98%	0.977	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.9	176.6	-64.4	-175.4	-179.3	-176.5	-0.7	113.7
578	S	91.9	Very high	93.8	Very high	70 Å²	70	56 Å²	56	49%	0.49	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	29.8	179.7	-63	0	0	0	0	113.6	N576 M580 S581 I582	N576-S578 PolarHBondContact O-N 2.83Å; N576-S578 VanDerWaalsContact O-N 3.11Å; N576-S578 PolarHBondContact OD1-N 3.31Å; S578-M580 VanDerWaalsContact C-N 3.29Å; S578-M580 PolarHBondContact O-N 2.84Å; S578-S581 PolarHBondContact O-N 3.05Å; S578-S581 PolarHBondContact O-OG 3.36Å; S578-I582 PolarHBondContact O-N 2.83Å
579	L	92.8	Very high	93.8	Very high	15 Å²	15	56 Å²	56	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-51.5	-42.2	-174.1	-176.3	59	0	0	0	113.4	T492 L493 S496 N576 S581 I582 A583	T492-L579 HydrophobicContact CG2-CD2 3.84Å; L493-L579 HydrophobicContact CD1-CD1 4.19Å; S496-L579 VanDerWaalsContact OG-CD2 3.28Å; S496-L579 WeakPolarHBondContact OG-CD2 3.47Å; N576-L579 WeakPolarHBondContact O-CB 3.5Å; N576-L579 PolarHBondContact O-N 3.14Å; N576-L579 VanDerWaalsContact O-N 3.11Å; L579-S581 VanDerWaalsContact C-N 3.33Å; L579-S581 PolarHBondContact O-N 3.23Å; L579-I582 CarbonylContact O-C 3.58Å; L579-I582 WeakPolarHBondContact O-CA 3.48Å; L579-I582 WeakPolarHBondContact O-CB 3.35Å; L579-I582 PolarHBondContact O-N 3.14Å; L579-A583 WeakPolarHBondContact O-CB 3.36Å; L579-A583 PolarHBondContact O-N 2.8Å
580	M	91.6	Very high	93.8	Very high	83 Å²	83	55.8 Å²	55.8	41%	0.409	27%	0.269	S	S	.	.	H	α-helix	trans	-57.9	-41.6	178.9	-76.6	-56.1	-58.1	0	0	113.5	R499 A500 S578 I582 A583 T584	R499-M580 HydrophobicContact CB-CE 3.87Å; A500-M580 HydrophobicContact CB-CE 4.11Å; S578-M580 VanDerWaalsContact C-N 3.29Å; S578-M580 PolarHBondContact O-N 2.84Å; M580-I582 VanDerWaalsContact C-N 3.28Å; M580-I582 PolarHBondContact O-N 2.95Å; M580-A583 PolarHBondContact O-N 3.07Å; M580-T584 PolarHBondContact O-N 3.44Å; M580-T584 PolarHBondContact O-OG1 3.24Å
581	S	91.7	Very high	93.8	Very high	37 Å²	37	53.8 Å²	53.8	26%	0.259	26%	0.257	S	S	.	.	H	α-helix	trans	-67.9	-31.6	177.3	74	0	0	0	0	112.2	S578 L579 K585	S578-S581 PolarHBondContact O-N 3.05Å; S578-S581 PolarHBondContact O-OG 3.36Å; L579-S581 VanDerWaalsContact C-N 3.33Å; L579-S581 PolarHBondContact O-N 3.23Å; S581-K585 PolarHBondContact O-N 3.29Å
582	I	94.1	Very high	94	Very high	42 Å²	42	52.6 Å²	52.6	22%	0.215	25%	0.25	C	S	.	.	H	α-helix	trans	-75.3	-43.7	176.9	-58.2	170.5	0	0	0	109.8	T573 N576 S578 L579 M580 T584 K585 I586	T573-I582 HydrophobicContact CG2-CB 4.45Å; T573-I582 HydrophobicContact CG2-CD1 4.09Å; T573-I582 HydrophobicContact CG2-CG2 3.52Å; N576-I582 HydrophobicContact CB-CD1 3.88Å; S578-I582 PolarHBondContact O-N 2.83Å; L579-I582 CarbonylContact O-C 3.58Å; L579-I582 WeakPolarHBondContact O-CA 3.48Å; L579-I582 WeakPolarHBondContact O-CB 3.35Å; L579-I582 PolarHBondContact O-N 3.14Å; M580-I582 VanDerWaalsContact C-N 3.28Å; M580-I582 PolarHBondContact O-N 2.95Å; I582-T584 VanDerWaalsContact C-N 3.27Å; I582-T584 PolarHBondContact O-N 2.82Å; I582-K585 WeakPolarHBondContact O-CA 3.23Å; I582-K585 WeakPolarHBondContact O-CB 3.32Å; I582-K585 PolarHBondContact O-N 3.31Å; I582-I586 HydrophobicContact CG2-CD1 3.98Å; I582-I586 HydrophobicContact CG2-CG1 4.34Å; I582-I586 WeakPolarHBondContact O-CG1 3.39Å; I582-I586 PolarHBondContact O-N 3.2Å
583	A	94.7	Very high	94.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.5	-38.3	175.1	0	0	0	0	0	111.8	A500 L579 M580 K585 I586 A587	A500-A583 HydrophobicContact CB-CB 4.1Å; L579-A583 WeakPolarHBondContact O-CB 3.36Å; L579-A583 PolarHBondContact O-N 2.8Å; M580-A583 PolarHBondContact O-N 3.07Å; A583-K585 PolarHBondContact O-N 2.9Å; A583-I586 PolarHBondContact O-N 3.37Å; A583-A587 WeakPolarHBondContact O-CB 3.38Å; A583-A587 PolarHBondContact O-N 2.9Å
584	T	94.3	Very high	94.3	Very high	30 Å²	30	43.5 Å²	43.5	18%	0.184	21%	0.209	C	C	.	.	H	α-helix	trans	-57.6	-48.8	171.4	-52.7	0	0	0	0	111.1	F462 M504 M580 I582 I586 A587 I588	F462-T584 HydrophobicContact CB-CG2 4.43Å; M504-T584 HydrophobicContact CE-CG2 4.02Å; M504-T584 WeakPolarHBondContact CE-O 3.48Å; M504-T584 HydrophobicContact SD-CG2 3.56Å; M504-T584 VanDerWaalsContact SD-CG2 3.56Å; M580-T584 PolarHBondContact O-N 3.44Å; M580-T584 PolarHBondContact O-OG1 3.24Å; I582-T584 VanDerWaalsContact C-N 3.27Å; I582-T584 PolarHBondContact O-N 2.82Å; T584-I586 PolarHBondContact O-N 2.89Å; T584-A587 PolarHBondContact O-N 3.25Å; T584-I588 HydrophobicContact CG2-CD1 4.43Å; T584-I588 WeakPolarHBondContact O-CG1 3.23Å; T584-I588 PolarHBondContact O-N 3.47Å
585	K	95.2	Very high	94.5	Very high	91 Å²	91	43.8 Å²	43.8	40%	0.396	21%	0.214	S	C	.	.	H	α-helix	trans	-65.1	-38.1	177.6	-67.2	177.6	-178.1	-173.9	0	112.5	Q459 S581 I582 A583 I588 Q589	Q459-K585 VanDerWaalsContact OE1-CE 3.28Å; S581-K585 PolarHBondContact O-N 3.29Å; I582-K585 WeakPolarHBondContact O-CA 3.23Å; I582-K585 WeakPolarHBondContact O-CB 3.32Å; I582-K585 PolarHBondContact O-N 3.31Å; A583-K585 PolarHBondContact O-N 2.9Å; K585-I588 PolarHBondContact O-N 3.48Å; K585-Q589 WeakPolarHBondContact O-CB 3.29Å; K585-Q589 PolarHBondContact O-N 3.2Å
586	I	96.8	Very high	94.8	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.062	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-48.5	174.2	-67	169.2	0	0	0	109.4	L493 L497 Q567 V569 I582 A583 T584 I588 Q589 L590	L493-I586 HydrophobicContact CD1-CD1 4.24Å; L497-I586 HydrophobicContact CD1-CB 4.24Å; L497-I586 HydrophobicContact CD1-CG2 3.84Å; Q567-I586 HydrophobicContact CG-CG2 4.31Å; V569-I586 HydrophobicContact CG2-CD1 4.05Å; I582-I586 HydrophobicContact CG2-CD1 3.98Å; I582-I586 HydrophobicContact CG2-CG1 4.34Å; I582-I586 WeakPolarHBondContact O-CG1 3.39Å; I582-I586 PolarHBondContact O-N 3.2Å; A583-I586 PolarHBondContact O-N 3.37Å; T584-I586 PolarHBondContact O-N 2.89Å; I586-I588 PolarHBondContact O-N 3.02Å; I586-Q589 CarbonylContact O-C 3.57Å; I586-Q589 WeakPolarHBondContact O-CA 3.43Å; I586-Q589 WeakPolarHBondContact O-CB 3.09Å; I586-Q589 PolarHBondContact O-N 3.39Å; I586-L590 HydrophobicContact CG2-CD1 4.29Å; I586-L590 HydrophobicContact CG2-CG 4.18Å; I586-L590 WeakPolarHBondContact O-CG 3.46Å; I586-L590 PolarHBondContact O-N 3.46Å
587	A	96.3	Very high	95	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-39.4	179.3	0	0	0	0	0	113.1	L497 A501 M504 A583 T584 Q589 L590 N591	L497-A587 HydrophobicContact CD1-CB 3.9Å; A501-A587 HydrophobicContact CB-CB 3.87Å; M504-A587 HydrophobicContact CE-CB 3.32Å; A583-A587 WeakPolarHBondContact O-CB 3.38Å; A583-A587 PolarHBondContact O-N 2.9Å; T584-A587 PolarHBondContact O-N 3.25Å; A587-Q589 VanDerWaalsContact C-N 3.32Å; A587-Q589 PolarHBondContact O-N 3.03Å; A587-L590 PolarHBondContact O-N 2.99Å; A587-N591 PolarHBondContact O-N 3.19Å
588	I	96.6	Very high	95.4	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.046	14%	0.136	C	C	.	.	H	α-helix	trans	-58	-46.6	170.5	-67.8	169.5	0	0	0	110.3	F462 M467 M504 T584 K585 I586 L590 N591 C592 P598 W599	F462-I588 HydrophobicContact CD1-CD1 3.79Å; F462-I588 HydrophobicContact CD1-CG1 4.46Å; F462-I588 HydrophobicContact CD2-CD1 4.47Å; F462-I588 HydrophobicContact CE1-CD1 3.88Å; F462-I588 HydrophobicContact CG-CD1 4.12Å; F462-I588 HydrophobicContact CZ-CD1 4.33Å; M467-I588 HydrophobicContact SD-CG1 4.18Å; M504-I588 HydrophobicContact CE-CG1 3.96Å; M504-I588 HydrophobicContact SD-CD1 4.02Å; M504-I588 HydrophobicContact SD-CG1 3.61Å; T584-I588 HydrophobicContact CG2-CD1 4.43Å; T584-I588 WeakPolarHBondContact O-CG1 3.23Å; T584-I588 PolarHBondContact O-N 3.47Å; K585-I588 PolarHBondContact O-N 3.48Å; I586-I588 PolarHBondContact O-N 3.02Å; I588-L590 PolarHBondContact O-N 2.83Å; I588-N591 PolarHBondContact O-N 3.36Å; I588-C592 PolarHBondContact O-N 3.2Å; I588-C592 PolarHBondContact O-SG 3.37Å; I588-P598 HydrophobicContact CG2-CB 3.94Å; I588-P598 HydrophobicContact CG2-CG 3.67Å; I588-W599 HydrophobicContact CG2-CZ3 4.08Å
589	Q	97.8	Very high	95.6	Very high	27 Å²	27	22.2 Å²	22.2	13%	0.126	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-38.5	178.5	-171	178.5	28.9	0	0	112.2	Q567 K585 I586 A587 C592 K593 L843	Q567-Q589 VanDerWaalsContact OE1-CD 3.27Å; K585-Q589 WeakPolarHBondContact O-CB 3.29Å; K585-Q589 PolarHBondContact O-N 3.2Å; I586-Q589 CarbonylContact O-C 3.57Å; I586-Q589 WeakPolarHBondContact O-CA 3.43Å; I586-Q589 WeakPolarHBondContact O-CB 3.09Å; I586-Q589 PolarHBondContact O-N 3.39Å; A587-Q589 VanDerWaalsContact C-N 3.32Å; A587-Q589 PolarHBondContact O-N 3.03Å; Q589-C592 WeakPolarHBondContact O-CB 3.41Å; Q589-C592 PolarHBondContact O-N 3.19Å; Q589-K593 HydrophobicContact CG-CD 4.46Å; Q589-K593 WeakPolarHBondContact O-CB 3.47Å; Q589-K593 WeakPolarHBondContact O-CG 3.13Å; Q589-K593 PolarHBondContact O-N 3.5Å; Q589-L843 HydrophobicContact CG-CB 4.26Å; Q589-L843 PolarHBondContact NE2-O 3.04Å; Q589-L843 PolarHBondContact NE2-OXT 3.28Å
590	L	97.7	Very high	95.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.7	-47	174.5	-62.8	-177.2	0	0	0	110.7	L475 L497 L538 Q567 I586 A587 I588 C592 K593 L594	L475-L590 HydrophobicContact CD2-CD1 4.48Å; L497-L590 HydrophobicContact CD1-CD1 4.04Å; L497-L590 HydrophobicContact CD2-CD1 3.88Å; L497-L590 HydrophobicContact CG-CD1 4.45Å; L538-L590 HydrophobicContact CD1-CB 4.44Å; L538-L590 HydrophobicContact CD1-CD2 3.52Å; L538-L590 HydrophobicContact CD2-CD2 3.69Å; L538-L590 HydrophobicContact CG-CD2 4.27Å; Q567-L590 HydrophobicContact CB-CD2 3.75Å; Q567-L590 HydrophobicContact CG-CD2 3.95Å; I586-L590 HydrophobicContact CG2-CD1 4.29Å; I586-L590 HydrophobicContact CG2-CG 4.18Å; I586-L590 WeakPolarHBondContact O-CG 3.46Å; I586-L590 PolarHBondContact O-N 3.46Å; A587-L590 PolarHBondContact O-N 2.99Å; I588-L590 PolarHBondContact O-N 2.83Å; L590-C592 VanDerWaalsContact C-N 3.28Å; L590-C592 PolarHBondContact O-N 3.35Å; L590-K593 WeakPolarHBondContact O-CB 3.28Å; L590-K593 PolarHBondContact O-N 2.78Å; L590-K593 VanDerWaalsContact O-N 3.08Å; L590-L594 WeakPolarHBondContact O-CG 3.37Å; L590-L594 PolarHBondContact O-N 3.31Å
591	N	97.3	Very high	95.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-56	-44.5	176.2	-164.6	51.1	0	0	0	111.5	M467 T469 P471 L506 A587 I588 K593 L594 G595 Y596	M467-N591 HydrophobicContact CE-CB 3.71Å; M467-N591 HydrophobicContact SD-CB 3.76Å; M467-N591 PolarHBondContact SD-ND2 3.42Å; T469-N591 PolarHBondContact O-ND2 2.88Å; P471-N591 WeakPolarHBondContact CD-OD1 3.46Å; L506-N591 HydrophobicContact CD2-CB 4.38Å; A587-N591 PolarHBondContact O-N 3.19Å; I588-N591 PolarHBondContact O-N 3.36Å; N591-K593 PolarHBondContact O-N 3.49Å; N591-L594 PolarHBondContact O-N 2.97Å; N591-G595 PolarHBondContact O-N 3.05Å; N591-Y596 PolarHBondContact O-N 3.48Å; N591-Y596 VanDerWaalsContact O-N 3.09Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.39Å
592	C	97.7	Very high	95.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.4	-43.6	175.3	-62.2	0	0	0	0	112.5	I588 Q589 L590 L594 G595 Y596 P598 Y802 F840 L843	I588-C592 PolarHBondContact O-N 3.2Å; I588-C592 PolarHBondContact O-SG 3.37Å; Q589-C592 WeakPolarHBondContact O-CB 3.41Å; Q589-C592 PolarHBondContact O-N 3.19Å; L590-C592 VanDerWaalsContact C-N 3.28Å; L590-C592 PolarHBondContact O-N 3.35Å; C592-L594 PolarHBondContact O-N 3.38Å; C592-G595 WeakPolarHBondContact O-CA 3.34Å; C592-G595 PolarHBondContact O-N 3.33Å; C592-Y596 WeakPolarHBondContact CA-O 3.41Å; C592-P598 VanDerWaalsContact SG-CD 3.6Å; C592-P598 WeakPolarHBondContact SG-CG 3.4Å; C592-Y802 WeakPolarHBondContact SG-CB 3.32Å; C592-F840 HydrophobicContact CB-CB 3.88Å; C592-F840 HydrophobicContact CB-CD2 4.02Å; C592-F840 HydrophobicContact CB-CG 4.26Å; C592-F840 WeakPolarHBondContact O-CB 3.39Å; C592-F840 PolarHBondContact O-N 3.14Å; C592-L843 HydrophobicContact CB-CD1 3.9Å
593	K	97.6	Very high	95.8	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-65	-26.5	179.8	-79.4	179.5	177.6	173.6	0	113.4	L538 P565 T566 Q589 L590 N591 F840 L843	L538-K593 HydrophobicContact CD1-CB 3.99Å; L538-K593 HydrophobicContact CD1-CD 4.34Å; P565-K593 HydrophobicContact CB-CB 4.09Å; T566-K593 PolarHBondContact O-NZ 2.94Å; Q589-K593 HydrophobicContact CG-CD 4.46Å; Q589-K593 WeakPolarHBondContact O-CB 3.47Å; Q589-K593 WeakPolarHBondContact O-CG 3.13Å; Q589-K593 PolarHBondContact O-N 3.5Å; L590-K593 WeakPolarHBondContact O-CB 3.28Å; L590-K593 PolarHBondContact O-N 2.78Å; L590-K593 VanDerWaalsContact O-N 3.08Å; N591-K593 PolarHBondContact O-N 3.49Å; K593-F840 WeakPolarHBondContact CG-O 3.36Å; K593-L843 WeakPolarHBondContact CE-OXT 3.48Å; K593-L843 PolarHBondContact NZ-OXT 2.78Å
594	L	95.9	Very high	95.5	Very high	19 Å²	19	23.8 Å²	23.8	10%	0.099	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-11.8	172.4	-63	173.2	0	0	0	112.9	P471 L475 K537 L538 L590 N591 C592 Y596	P471-L594 HydrophobicContact CG-CD1 4.12Å; L475-L594 HydrophobicContact CD1-CD1 3.89Å; L475-L594 HydrophobicContact CD1-CD2 3.87Å; L475-L594 HydrophobicContact CD1-CG 4.43Å; K537-L594 HydrophobicContact CB-CD2 3.95Å; L538-L594 HydrophobicContact CB-CD2 4.43Å; L590-L594 WeakPolarHBondContact O-CG 3.37Å; L590-L594 PolarHBondContact O-N 3.31Å; N591-L594 PolarHBondContact O-N 2.97Å; C592-L594 PolarHBondContact O-N 3.38Å; L594-Y596 HydrophobicContact CB-CD2 3.73Å; L594-Y596 HydrophobicContact CB-CE2 4.04Å
595	G	94.6	Very high	95.4	Very high	16 Å²	16	23.5 Å²	23.5	17%	0.165	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	13.1	179.6	0	0	0	0	0	114.6	N591 C592	N591-G595 PolarHBondContact O-N 3.05Å; C592-G595 WeakPolarHBondContact O-CA 3.34Å; C592-G595 PolarHBondContact O-N 3.33Å
596	Y	95.7	Very high	95.1	Very high	83 Å²	83	22.3 Å²	22.3	33%	0.325	13%	0.125	S	C	.	.			trans	-106.5	163.8	-176.2	-63.9	-93	0	0	0	112.5	P471 N591 C592 L594	P471-Y596 VanDerWaalsContact CA-CZ 3.43Å; P471-Y596 HydrophobicContact CB-CD2 4.31Å; P471-Y596 HydrophobicContact CB-CE1 4.17Å; P471-Y596 HydrophobicContact CB-CE2 3.59Å; P471-Y596 HydrophobicContact CG-CD2 4.18Å; P471-Y596 HydrophobicContact CG-CE2 3.92Å; N591-Y596 PolarHBondContact O-N 3.48Å; N591-Y596 VanDerWaalsContact O-N 3.09Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.39Å; C592-Y596 WeakPolarHBondContact CA-O 3.41Å; L594-Y596 HydrophobicContact CB-CD2 3.73Å; L594-Y596 HydrophobicContact CB-CE2 4.04Å
597	T	96.4	Very high	94.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.123	C	C	.	.			trans	-109.5	118.1	-169.1	-44.4	0	0	0	0	110.6	L468 T469 W599 S639 Y802	L468-T597 WeakPolarHBondContact CB-O 3.33Å; L468-T597 HydrophobicContact CD2-CG2 3.96Å; T469-T597 PolarHBondContact N-O 3.03Å; T469-T597 WeakPolarHBondContact OG1-CA 3.41Å; T469-T597 VanDerWaalsContact OG1-CB 3.25Å; T469-T597 WeakPolarHBondContact OG1-CB 3.37Å; T469-T597 PolarHBondContact OG1-N 3.23Å; T469-T597 PolarHBondContact OG1-O 3.02Å; T469-T597 VanDerWaalsContact OG1-O 3.1Å; T469-T597 PolarHBondContact OG1-OG1 3.13Å; T597-W599 VanDerWaalsContact CG2-O 3.27Å; T597-W599 WeakPolarHBondContact CG2-O 3.34Å; T597-S639 WeakPolarHBondContact CB-OG 3.46Å; T597-S639 WeakPolarHBondContact CG2-OG 3.33Å; T597-S639 WeakPolarHBondContact OG1-CB 3.07Å; T597-S639 PolarHBondContact OG1-O 3.23Å; T597-S639 PolarHBondContact OG1-OG 3Å; T597-Y802 HydrophobicContact CG2-CE1 4.27Å; T597-Y802 HydrophobicContact CG2-CE2 3.93Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.45Å
598	P	95.8	Very high	94.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-71.8	-38.6	179	-25.7	38	0	0	0	115	M467 L468 I588 C592 Y802	M467-P598 CarbonylContact C-O 3.49Å; M467-P598 VanDerWaalsContact CA-O 3.28Å; M467-P598 WeakPolarHBondContact CA-O 3.49Å; M467-P598 HydrophobicContact CG-CB 4Å; M467-P598 HydrophobicContact SD-CB 3.87Å; M467-P598 HydrophobicContact SD-CG 4.18Å; L468-P598 PolarHBondContact N-O 3.46Å; I588-P598 HydrophobicContact CG2-CB 3.94Å; I588-P598 HydrophobicContact CG2-CG 3.67Å; C592-P598 VanDerWaalsContact SG-CD 3.6Å; C592-P598 WeakPolarHBondContact SG-CG 3.4Å; P598-Y802 HydrophobicContact CG-CD1 4.45Å; P598-Y802 HydrophobicContact CG-CD2 4.46Å; P598-Y802 HydrophobicContact CG-CG 4.13Å
599	W	96.2	Very high	95	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	12%	0.121	C	C	.	.			trans	-153.9	167.3	178.9	66.6	85.2	0	0	0	110.7	I443 V444 F445 W458 F462 I588 T597 H799 Y802 W804	I443-W599 HydrophobicContact CG2-CB 3.65Å; I443-W599 HydrophobicContact CG2-CG 3.78Å; V444-W599 CarbonylContact O-C 3.52Å; V444-W599 WeakPolarHBondContact O-CA 3.48Å; F445-W599 HydrophobicContact CD1-CB 4.44Å; F445-W599 HydrophobicContact CE1-CB 4.08Å; F445-W599 HydrophobicContact CZ-CB 4.22Å; W458-W599 AromaticContact CZ2-CE2 3.74Å; W458-W599 AromaticContact CZ2-CZ2 3.81Å; W458-W599 HydrophobicContact CZ2-CZ2 3.81Å; W458-W599 AromaticContact CZ2-NE1 3.53Å; W458-W599 AromaticContact NE1-CD2 3.85Å; W458-W599 AromaticContact NE1-CE2 3.66Å; W458-W599 AromaticContact NE1-CZ2 3.91Å; W458-W599 AromaticContact NE1-NE1 3.98Å; F462-W599 AromaticContact CE1-CE3 3.57Å; F462-W599 HydrophobicContact CE1-CE3 3.57Å; F462-W599 AromaticContact CE1-CZ3 3.89Å; F462-W599 HydrophobicContact CE1-CZ3 3.89Å; F462-W599 HydrophobicContact CE2-CE3 4.31Å; F462-W599 HydrophobicContact CE2-CZ3 4.22Å; F462-W599 AromaticContact CZ-CD2 3.97Å; F462-W599 HydrophobicContact CZ-CD2 3.97Å; F462-W599 AromaticContact CZ-CE3 3.16Å; F462-W599 HydrophobicContact CZ-CE3 3.16Å; F462-W599 HydrophobicContact CZ-CH2 4.27Å; F462-W599 AromaticContact CZ-CZ3 3.35Å; F462-W599 HydrophobicContact CZ-CZ3 3.35Å; I588-W599 HydrophobicContact CG2-CZ3 4.08Å; T597-W599 VanDerWaalsContact CG2-O 3.27Å; T597-W599 WeakPolarHBondContact CG2-O 3.34Å; W599-H799 PolarHBondContact NE1-O 2.93Å; W599-Y802 AromaticContact CD2-CD1 3.84Å; W599-Y802 HydrophobicContact CD2-CD1 3.84Å; W599-Y802 HydrophobicContact CD2-CE1 4.18Å; W599-Y802 AromaticContact CE2-CD1 3.62Å; W599-Y802 HydrophobicContact CE3-CD1 4.12Å; W599-Y802 HydrophobicContact CG-CD1 4.48Å; W599-Y802 HydrophobicContact CG-CE1 4.35Å; W599-Y802 VanDerWaalsContact CH2-CA 3.48Å; W599-Y802 HydrophobicContact CH2-CD1 4.13Å; W599-Y802 WeakPolarHBondContact CH2-O 3.47Å; W599-Y802 AromaticContact CZ2-CD1 3.79Å; W599-Y802 HydrophobicContact CZ2-CD1 3.79Å; W599-Y802 HydrophobicContact CZ3-CD1 4.26Å; W599-Y802 AromaticContact NE1-CE1 4Å; W599-Y802 VanDerWaalsContact O-CE1 3.29Å; W599-Y802 WeakPolarHBondContact O-CE1 3.43Å; W599-Y802 PolarHBondContact O-OH 3.28Å; W599-W804 WeakPolarHBondContact CZ2-O 3.24Å
600	M	96.2	Very high	95	Very high	13 Å²	13	20.2 Å²	20.2	6%	0.064	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	175.9	178.3	-163.2	53.7	-156.6	0	0	112.4	I443 V444 L468 L635 L800	I443-M600 WeakPolarHBondContact CA-O 3.5Å; V444-M600 HydrophobicContact CB-CB 4.29Å; V444-M600 PolarHBondContact N-O 2.95Å; V444-M600 PolarHBondContact O-N 2.81Å; L468-M600 HydrophobicContact CD2-CB 3.52Å; L468-M600 HydrophobicContact CD2-CG 4.36Å; M600-L635 HydrophobicContact CE-CB 3.43Å; M600-L635 VanDerWaalsContact CE-CB 3.43Å; M600-L635 HydrophobicContact CE-CD1 3.96Å; M600-L635 HydrophobicContact CE-CD2 3.82Å; M600-L635 HydrophobicContact CE-CG 3.88Å; M600-L635 WeakPolarHBondContact CE-O 3.46Å; M600-L635 HydrophobicContact SD-CD2 4.34Å; M600-L800 HydrophobicContact CE-CD1 4.11Å; M600-L800 HydrophobicContact CE-CD2 4.25Å; M600-L800 HydrophobicContact SD-CD2 3.77Å
601	I	95.3	Very high	95.1	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.026	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	147.4	175.4	-165.5	66.7	0	0	0	110	Q441 N442 I443 L603 K796 L800	Q441-I601 HydrophobicContact CB-CD1 3.55Å; Q441-I601 HydrophobicContact CG-CD1 4.49Å; N442-I601 WeakPolarHBondContact O-CD1 3.37Å; I443-I601 HydrophobicContact CD1-CD1 4.18Å; I601-L603 PolarHBondContact O-N 3.47Å; I601-L603 VanDerWaalsContact O-N 3.16Å; I601-K796 HydrophobicContact CG1-CB 4.07Å; I601-K796 HydrophobicContact CG1-CD 4.45Å; I601-K796 HydrophobicContact CG1-CG 3.96Å; I601-K796 HydrophobicContact CG2-CB 4.34Å; I601-L800 HydrophobicContact CB-CD2 4.09Å; I601-L800 HydrophobicContact CG2-CD1 3.88Å; I601-L800 HydrophobicContact CG2-CD2 3.91Å; I601-L800 HydrophobicContact CG2-CG 4.07Å
602	E	91.2	Very high	95.1	Very high	68 Å²	68	20.2 Å²	20.2	32%	0.318	12%	0.115	S	C	.	.			trans	-63.7	114.4	171.3	-66.3	176.1	144.3	0	0	110	N442 V444 K449 K796	N442-E602 PolarHBondContact ND2-OE2 2.83Å; V444-E602 HydrophobicContact CG2-CG 4.04Å; K449-E602 WeakPolarHBondContact CD-OE1 3.49Å; K449-E602 IonicContact NZ-OE1 3.73Å; K449-E602 PolarHBondContact NZ-OE1 2.95Å; E602-K796 WeakPolarHBondContact O-CD 3.47Å; E602-K796 VanDerWaalsContact O-CE 3.3Å; E602-K796 WeakPolarHBondContact O-CE 3.1Å; E602-K796 PolarHBondContact O-NZ 2.81Å
603	L	92.3	Very high	95	Very high	15 Å²	15	20.5 Å²	20.5	8%	0.079	12%	0.116	C	C	.	.			trans	-123.5	100.3	-175.7	-175	66.5	0	0	0	110.6	I601 L605 L608 L635 L793	I601-L603 PolarHBondContact O-N 3.47Å; I601-L603 VanDerWaalsContact O-N 3.16Å; L603-L605 PolarHBondContact O-N 3.03Å; L603-L608 HydrophobicContact CD1-CD2 4.38Å; L603-L608 HydrophobicContact CD2-CD2 4.25Å; L603-L635 HydrophobicContact CD2-CB 3.62Å; L603-L635 HydrophobicContact CD2-CD1 4.31Å; L603-L793 HydrophobicContact CD1-CD1 3.5Å
604	P	89.6	Confident	94.7	Very high	108 Å²	108	21.1 Å²	21.1	70%	0.701	12%	0.12	S	C	*	.			trans	-85.3	46.8	-176.1	36.3	-37.2	0	0	0	112.1
605	L	90.3	Very high	94.4	Very high	25 Å²	25	22 Å²	22	13%	0.131	12%	0.124	C	C	.	.			trans	-138.5	114.3	178.1	-72.9	176.3	0	0	0	109.9	L603 L608 L785 L793	L603-L605 PolarHBondContact O-N 3.03Å; L605-L608 HydrophobicContact CB-CB 4.32Å; L605-L608 HydrophobicContact CB-CD2 4.16Å; L605-L608 HydrophobicContact CD1-CD2 3.93Å; L605-L785 HydrophobicContact CD1-CD1 4.18Å; L605-L785 HydrophobicContact CD2-CD2 4.44Å; L605-L793 HydrophobicContact CD1-CD1 4.23Å; L605-L793 HydrophobicContact CD1-CD2 3.91Å
606	S	90.1	Very high	94.1	Very high	66 Å²	66	21.9 Å²	21.9	46%	0.462	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	148.1	178.4	-48.8	0	0	0	0	112.2	L608 Q636 R679	S606-L608 PolarHBondContact O-N 2.88Å; S606-Q636 PolarHBondContact OG-OE1 3.19Å; S606-R679 PolarHBondContact O-NH1 3.36Å
607	G	93.4	Very high	93.7	Very high	3 Å²	3	25.1 Å²	25.1	3%	0.031	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	29.6	175.6	0	0	0	0	0	113.5	Y669 S678 R679	G607-Y669 WeakPolarHBondContact CA-OH 3.08Å; G607-S678 PolarHBondContact O-N 3.03Å; G607-R679 PolarHBondContact O-N 2.9Å; G607-R679 VanDerWaalsContact O-N 3.1Å
608	L	96.4	Very high	93.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	124.8	-178.4	177	63.4	0	0	0	111.3	L603 L605 S606 R679 V681 L793	L603-L608 HydrophobicContact CD1-CD2 4.38Å; L603-L608 HydrophobicContact CD2-CD2 4.25Å; L605-L608 HydrophobicContact CB-CB 4.32Å; L605-L608 HydrophobicContact CB-CD2 4.16Å; L605-L608 HydrophobicContact CD1-CD2 3.93Å; S606-L608 PolarHBondContact O-N 2.88Å; L608-R679 HydrophobicContact CD1-CB 3.87Å; L608-V681 HydrophobicContact CD1-CB 4.39Å; L608-V681 HydrophobicContact CD1-CG2 3.81Å; L608-L793 HydrophobicContact CD2-CD1 4.06Å; L608-L793 HydrophobicContact CD2-CD2 4.25Å
609	M	98.1	Very high	92.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.9	166.8	-177.7	-174.1	-172.7	0	0	109.2	I611 A631 A665 L666 Y669 P677 R679 I680 V681	M609-I611 HydrophobicContact CE-CD1 3.78Å; M609-I611 HydrophobicContact CE-CG1 4.01Å; M609-I611 HydrophobicContact CG-CD1 4.41Å; M609-I611 HydrophobicContact CG-CG1 4.05Å; M609-I611 HydrophobicContact SD-CD1 4.03Å; M609-I611 HydrophobicContact SD-CG1 4.3Å; M609-A631 HydrophobicContact CE-CB 3.36Å; M609-A631 HydrophobicContact CG-CB 4.46Å; M609-A665 HydrophobicContact CE-CB 3.33Å; M609-L666 HydrophobicContact SD-CD2 3.89Å; M609-Y669 HydrophobicContact CB-CD2 4.42Å; M609-Y669 HydrophobicContact CB-CE2 4.31Å; M609-P677 HydrophobicContact CB-CB 3.75Å; M609-P677 HydrophobicContact CB-CG 3.93Å; M609-P677 HydrophobicContact SD-CG 3.84Å; M609-R679 PolarHBondContact N-O 2.96Å; M609-I680 HydrophobicContact CB-CG1 4.43Å; M609-I680 VanDerWaalsContact O-CA 3.31Å; M609-I680 WeakPolarHBondContact O-CA 3.27Å; M609-V681 PolarHBondContact O-N 3.41Å
610	T	98.3	Very high	91.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.9	173.9	-48.2	0	0	0	0	109.3	A631 S632 V681 Y683 M797 V813	T610-A631 CarbonylContact O-C 3.47Å; T610-A631 WeakPolarHBondContact O-CA 3.32Å; T610-S632 PolarHBondContact N-OG 2.98Å; T610-S632 PolarHBondContact O-N 3.21Å; T610-V681 CarbonylContact C-O 3.56Å; T610-V681 WeakPolarHBondContact CA-O 3.46Å; T610-V681 HydrophobicContact CG2-CB 4.39Å; T610-V681 HydrophobicContact CG2-CG1 4.48Å; T610-Y683 HydrophobicContact CG2-CD2 3.74Å; T610-Y683 HydrophobicContact CG2-CE2 3.66Å; T610-M797 HydrophobicContact CG2-CE 3.77Å; T610-M797 HydrophobicContact CG2-CG 4.43Å; T610-V813 HydrophobicContact CG2-CG1 4.38Å; T610-V813 HydrophobicContact CG2-CG2 3.94Å
611	I	98.5	Very high	90.9	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.8	-176.7	-55	179.1	0	0	0	109.3	M609 L629 I630 A631 I680 V681 F682 Y683	M609-I611 HydrophobicContact CE-CD1 3.78Å; M609-I611 HydrophobicContact CE-CG1 4.01Å; M609-I611 HydrophobicContact CG-CD1 4.41Å; M609-I611 HydrophobicContact CG-CG1 4.05Å; M609-I611 HydrophobicContact SD-CD1 4.03Å; M609-I611 HydrophobicContact SD-CG1 4.3Å; I611-L629 HydrophobicContact CG2-CD1 3.79Å; I611-L629 HydrophobicContact CG2-CD2 3.97Å; I611-L629 HydrophobicContact CG2-CG 3.7Å; I611-I630 CarbonylContact C-O 3.56Å; I611-I630 VanDerWaalsContact CA-O 3.26Å; I611-I630 WeakPolarHBondContact CA-O 3.4Å; I611-A631 HydrophobicContact CG1-CB 4.23Å; I611-I680 HydrophobicContact CD1-CG2 3.73Å; I611-I680 HydrophobicContact CG1-CG2 4.25Å; I611-V681 PolarHBondContact N-O 3.43Å; I611-F682 HydrophobicContact CB-CD2 3.73Å; I611-F682 HydrophobicContact CB-CE2 4.18Å; I611-F682 HydrophobicContact CB-CG 4.37Å; I611-F682 HydrophobicContact CD1-CD2 4.12Å; I611-F682 HydrophobicContact CG1-CD2 4.49Å; I611-F682 HydrophobicContact CG2-CD2 3.6Å; I611-F682 HydrophobicContact CG2-CE2 3.51Å; I611-F682 HydrophobicContact CG2-CG 4.49Å; I611-F682 HydrophobicContact CG2-CZ 4.33Å; I611-Y683 PolarHBondContact O-N 3.11Å
612	G	97.8	Very high	89.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.7	170.7	0	0	0	0	0	110.2	L629 I630 Y683	G612-L629 WeakPolarHBondContact O-CA 3.23Å; G612-I630 PolarHBondContact N-O 2.81Å; G612-I630 PolarHBondContact O-N 2.9Å; G612-Y683 WeakPolarHBondContact CA-O 3.41Å
613	F	94.9	Very high	89.4	Confident	6 Å²	6	53 Å²	53	3%	0.026	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.4	178.4	-177.1	-113.3	0	0	0	111.3	I615 A628 L629 L658 M661 F682 Y683 D685	F613-I615 HydrophobicContact CE1-CD1 3.68Å; F613-I615 HydrophobicContact CE1-CG1 3.78Å; F613-I615 HydrophobicContact CZ-CD1 3.84Å; F613-I615 HydrophobicContact CZ-CG1 3.74Å; F613-A628 WeakPolarHBondContact CA-O 3.19Å; F613-A628 WeakPolarHBondContact CD2-O 3.33Å; F613-L629 HydrophobicContact CD2-CB 4.1Å; F613-L658 HydrophobicContact CD1-CD1 4.16Å; F613-L658 HydrophobicContact CD2-CD1 3.89Å; F613-L658 HydrophobicContact CE1-CD1 4.23Å; F613-L658 HydrophobicContact CE2-CD1 4.01Å; F613-L658 HydrophobicContact CG-CD1 4Å; F613-L658 HydrophobicContact CZ-CD1 4.18Å; F613-M661 HydrophobicContact CD2-CE 4.22Å; F613-M661 HydrophobicContact CE2-CE 3.52Å; F613-M661 HydrophobicContact CZ-CE 4.25Å; F613-F682 HydrophobicContact CB-CE1 4.01Å; F613-F682 HydrophobicContact CB-CZ 3.65Å; F613-F682 HydrophobicContact CG-CZ 4.32Å; F613-Y683 PolarHBondContact N-O 2.76Å; F613-Y683 VanDerWaalsContact N-O 3.08Å; F613-D685 PolarHBondContact O-N 3.29Å; F613-D685 VanDerWaalsContact O-N 3.12Å
614	D	92.3	Very high	89.1	Confident	14 Å²	14	57.3 Å²	57.3	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160.3	176	-164.4	11.5	0	0	0	110.4	A628 D685 A817 K818	D614-A628 PolarHBondContact N-O 2.97Å; D614-A628 PolarHBondContact O-N 3.49Å; D614-D685 HydrophobicContact CB-CB 4.45Å; D614-A817 HydrophobicContact CB-CB 4.02Å; D614-K818 HydrophobicContact CB-CB 4.32Å; D614-K818 WeakPolarHBondContact OD2-CA 3.42Å; D614-K818 WeakPolarHBondContact OD2-CB 3.48Å; D614-K818 VanDerWaalsContact OD2-CG 3.24Å; D614-K818 WeakPolarHBondContact OD2-CG 3.02Å
615	I	89.4	Confident	89.1	Confident	37 Å²	37	52.2 Å²	52.2	19%	0.19	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.2	-172	-53.8	-179	0	0	0	109.9	F613 A625 Y626 V653	F613-I615 HydrophobicContact CE1-CD1 3.68Å; F613-I615 HydrophobicContact CE1-CG1 3.78Å; F613-I615 HydrophobicContact CZ-CD1 3.84Å; F613-I615 HydrophobicContact CZ-CG1 3.74Å; I615-A625 HydrophobicContact CG2-CB 3.87Å; I615-Y626 WeakPolarHBondContact CA-O 3.49Å; I615-V653 HydrophobicContact CD1-CG1 3.15Å
616	A	88.1	Confident	89.1	Confident	14 Å²	14	51.2 Å²	51.2	12%	0.116	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.3	175.7	0	0	0	0	0	111.1	A625 Y626 A821	A616-A625 CarbonylContact O-C 3.59Å; A616-A625 WeakPolarHBondContact O-CA 3.5Å; A616-Y626 PolarHBondContact N-O 3.26Å; A616-Y626 PolarHBondContact O-N 3.37Å; A616-A821 VanDerWaalsContact CB-C 3.46Å; A616-A821 HydrophobicContact CB-CB 3.74Å; A616-A821 WeakPolarHBondContact CB-O 3.34Å
617	K	87.1	Confident	89.2	Confident	151 Å²	151	48.1 Å²	48.1	66%	0.657	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	143.9	172.9	-65.5	-174.6	178.7	-174.1	0	110.3
618	S	86.9	Confident	89.3	Confident	6 Å²	6	48 Å²	48	4%	0.042	21%	0.211	C	C	.	.			trans	-70.5	135.4	172.9	-178.3	0	0	0	0	110.3	R620 D621 R624 G825 H829	S618-R620 VanDerWaalsContact C-N 3.32Å; S618-R620 PolarHBondContact OG-N 3.44Å; S618-D621 WeakPolarHBondContact CB-O 3.35Å; S618-D621 PolarHBondContact OG-N 2.94Å; S618-R624 PolarHBondContact N-O 3.47Å; S618-G825 WeakPolarHBondContact CA-O 3.48Å; S618-H829 PolarHBondContact OG-ND1 3.4Å
619	T	82.6	Confident	89.4	Confident	91 Å²	91	48 Å²	48	56%	0.558	21%	0.211	S	C	*	.	S	Bend	trans	-76.4	-23.1	174.5	56.4	0	0	0	0	112.3	G825 T826 H829	T619-G825 PolarHBondContact N-O 2.81Å; T619-G825 PolarHBondContact OG1-O 2.78Å; T619-T826 HydrophobicContact CG2-CG2 4.14Å; T619-H829 PolarHBondContact OG1-CE1 3.39Å; T619-H829 VanDerWaalsContact OG1-CE1 3.29Å
620	R	78.4	Confident	89.4	Confident	201 Å²	201	48 Å²	48	76%	0.758	21%	0.211	S	C	*	.	S	Bend	trans	-83.2	-40.5	179.4	-174.3	179.2	173.3	-162.2	-1.8	112.9	S618	S618-R620 VanDerWaalsContact C-N 3.32Å; S618-R620 PolarHBondContact OG-N 3.44Å
621	D	78.7	Confident	89.4	Confident	53 Å²	53	48 Å²	48	28%	0.283	21%	0.211	S	C	.	.			trans	-133.2	107.2	179.4	-178.6	-2.1	0	0	0	110.1	S618 K623 R624	S618-D621 WeakPolarHBondContact CB-O 3.35Å; S618-D621 PolarHBondContact OG-N 2.94Å; D621-K623 PolarHBondContact O-N 3.32Å; D621-K623 VanDerWaalsContact O-N 3.11Å; D621-K623 WeakPolarHBondContact OD1-CB 3.46Å; D621-K623 PolarHBondContact OD1-N 3.47Å; D621-R624 HydrophobicContact CB-CB 4.46Å; D621-R624 HydrophobicContact CB-CG 4.22Å; D621-R624 PolarHBondContact O-N 3.28Å; D621-R624 WeakPolarHBondContact OD2-CD 3.32Å; D621-R624 WeakPolarHBondContact OD2-CG 3.31Å; D621-R624 IonicContact OD2-NE 3.84Å; D621-R624 PolarHBondContact OD2-NE 3.08Å
622	R	74.6	Confident	89.3	Confident	178 Å²	178	47.9 Å²	47.9	67%	0.672	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.5	-177.6	-66.8	-174.7	178.1	177.7	2.1	113.7	D288 R624 A650	D288-R622 IonicContact OD2-NH1 2.8Å; D288-R622 PolarHBondContact OD2-NH1 3.05Å; R622-R624 VanDerWaalsContact C-N 3.3Å; R622-A650 WeakPolarHBondContact O-CB 3.48Å
623	K	80	Confident	89.2	Confident	143 Å²	143	47.9 Å²	47.9	62%	0.622	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-14.3	175.1	-57.6	-172.5	177.9	176.7	0	112.5	D621 A650 F651	D621-K623 PolarHBondContact O-N 3.32Å; D621-K623 VanDerWaalsContact O-N 3.11Å; D621-K623 WeakPolarHBondContact OD1-CB 3.46Å; D621-K623 PolarHBondContact OD1-N 3.47Å; K623-A650 VanDerWaalsContact O-CB 3.31Å; K623-A650 WeakPolarHBondContact O-CB 3.39Å; K623-A650 PolarHBondContact O-N 2.95Å; K623-F651 HydrophobicContact CB-CE2 4.16Å; K623-F651 HydrophobicContact CG-CE2 4.03Å
624	R	85.7	Confident	88.9	Confident	107 Å²	107	47.7 Å²	47.7	40%	0.404	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.4	-178.9	-62.7	174.1	-171.4	-132.2	4.6	111.9	S618 D621 R622 E647	S618-R624 PolarHBondContact N-O 3.47Å; D621-R624 HydrophobicContact CB-CB 4.46Å; D621-R624 HydrophobicContact CB-CG 4.22Å; D621-R624 PolarHBondContact O-N 3.28Å; D621-R624 WeakPolarHBondContact OD2-CD 3.32Å; D621-R624 WeakPolarHBondContact OD2-CG 3.31Å; D621-R624 IonicContact OD2-NE 3.84Å; D621-R624 PolarHBondContact OD2-NE 3.08Å; R622-R624 VanDerWaalsContact C-N 3.3Å; R624-E647 WeakPolarHBondContact CD-OE1 3.18Å; R624-E647 WeakPolarHBondContact CG-OE1 3.34Å; R624-E647 IonicContact CZ-OE1 3.91Å; R624-E647 IonicContact NE-OE1 2.81Å; R624-E647 PolarHBondContact NE-OE1 3.28Å; R624-E647 IonicContact NH1-OE1 3.49Å; R624-E647 PolarHBondContact NH1-OE1 3.43Å; R624-E647 IonicContact NH1-OE2 2.66Å; R624-E647 PolarHBondContact NH1-OE2 2.96Å
625	A	89	Confident	88.8	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	160	169.7	0	0	0	0	0	110	I615 A616 C648 A650	I615-A625 HydrophobicContact CG2-CB 3.87Å; A616-A625 CarbonylContact O-C 3.59Å; A616-A625 WeakPolarHBondContact O-CA 3.5Å; A625-C648 VanDerWaalsContact C-SG 3.53Å; A625-C648 PolarHBondContact N-O 3.12Å; A625-C648 PolarHBondContact O-N 3.25Å; A625-C648 VanDerWaalsContact O-O 3.07Å; A625-C648 PolarHBondContact O-SG 2.82Å; A625-A650 HydrophobicContact CB-CB 4.37Å
626	Y	91.8	Very high	88.5	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.2	177.8	-63.6	-79.9	0	0	0	109.3	I615 A616 V645 T646 E647 V824 H829	I615-Y626 WeakPolarHBondContact CA-O 3.49Å; A616-Y626 PolarHBondContact N-O 3.26Å; A616-Y626 PolarHBondContact O-N 3.37Å; Y626-V645 HydrophobicContact CD1-CG1 4.46Å; Y626-T646 WeakPolarHBondContact CA-O 3.34Å; Y626-E647 HydrophobicContact CD1-CB 4.12Å; Y626-E647 HydrophobicContact CD1-CG 4.37Å; Y626-E647 HydrophobicContact CE1-CB 3.89Å; Y626-E647 HydrophobicContact CE1-CG 3.92Å; Y626-V824 HydrophobicContact CD1-CG1 3.52Å; Y626-V824 HydrophobicContact CD2-CG1 3.85Å; Y626-V824 HydrophobicContact CE1-CG1 3.87Å; Y626-V824 HydrophobicContact CE2-CG1 4.14Å; Y626-V824 HydrophobicContact CG-CB 4.3Å; Y626-V824 HydrophobicContact CG-CG1 3.5Å; Y626-H829 PolarHBondContact OH-O 2.84Å
627	G	92.4	Very high	88.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.3	172.2	0	0	0	0	0	109.5	V645 T646	G627-V645 WeakPolarHBondContact O-CA 3.39Å; G627-V645 WeakPolarHBondContact O-CG1 3.39Å; G627-T646 PolarHBondContact N-O 3.07Å; G627-T646 PolarHBondContact O-N 3.22Å
628	A	95.3	Very high	87.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.4	176.9	0	0	0	0	0	110.2	F613 D614 T644 V645 A817 L820 A821	F613-A628 WeakPolarHBondContact CA-O 3.19Å; F613-A628 WeakPolarHBondContact CD2-O 3.33Å; D614-A628 PolarHBondContact N-O 2.97Å; D614-A628 PolarHBondContact O-N 3.49Å; A628-T644 WeakPolarHBondContact CA-O 3.41Å; A628-V645 HydrophobicContact CB-CG2 4.1Å; A628-A817 WeakPolarHBondContact CB-O 3.27Å; A628-A817 WeakPolarHBondContact O-CB 3.14Å; A628-L820 HydrophobicContact CB-CB 4.07Å; A628-L820 HydrophobicContact CB-CD2 4.09Å; A628-L820 HydrophobicContact CB-CG 3.93Å; A628-A821 HydrophobicContact CB-CB 3.74Å
629	L	97.1	Very high	87.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.9	176.9	-175.1	146.8	0	0	0	109.8	I611 G612 F613 A631 S643 T644 L658 M661 I662 A665 F682	I611-L629 HydrophobicContact CG2-CD1 3.79Å; I611-L629 HydrophobicContact CG2-CD2 3.97Å; I611-L629 HydrophobicContact CG2-CG 3.7Å; G612-L629 WeakPolarHBondContact O-CA 3.23Å; F613-L629 HydrophobicContact CD2-CB 4.1Å; L629-A631 HydrophobicContact CD2-CB 4.23Å; L629-S643 WeakPolarHBondContact O-CA 3.39Å; L629-T644 HydrophobicContact CB-CG2 4.02Å; L629-T644 HydrophobicContact CD2-CG2 4.33Å; L629-T644 PolarHBondContact N-O 3.14Å; L629-T644 PolarHBondContact O-N 3.4Å; L629-L658 HydrophobicContact CD1-CD1 3.83Å; L629-M661 HydrophobicContact CB-CB 4.01Å; L629-M661 HydrophobicContact CB-CE 4.35Å; L629-M661 HydrophobicContact CB-SD 3.96Å; L629-M661 HydrophobicContact CD1-CB 3.94Å; L629-M661 HydrophobicContact CG-CB 4.41Å; L629-I662 HydrophobicContact CD1-CG1 3.61Å; L629-A665 HydrophobicContact CD2-CB 4.2Å; L629-F682 HydrophobicContact CD1-CE2 4.38Å
630	I	98.3	Very high	88.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.1	175.1	-51.6	-62.4	0	0	0	108.2	I611 G612 Y641 F642 V813 Y816 A817 L820 Y842	I611-I630 CarbonylContact C-O 3.56Å; I611-I630 VanDerWaalsContact CA-O 3.26Å; I611-I630 WeakPolarHBondContact CA-O 3.4Å; G612-I630 PolarHBondContact N-O 2.81Å; G612-I630 PolarHBondContact O-N 2.9Å; I630-Y641 HydrophobicContact CG2-CD1 3.94Å; I630-F642 CarbonylContact C-O 3.54Å; I630-F642 WeakPolarHBondContact CA-O 3.37Å; I630-V813 HydrophobicContact CG2-CG1 4.45Å; I630-Y816 HydrophobicContact CG2-CD2 4.42Å; I630-A817 HydrophobicContact CG1-CB 3.91Å; I630-L820 HydrophobicContact CD1-CD2 3.74Å; I630-Y842 HydrophobicContact CD1-CE1 4.3Å
631	A	98.3	Very high	89.2	Confident	0 Å²	0	39 Å²	39	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.7	178.5	0	0	0	0	0	111.1	M609 T610 I611 L629 Y641 F642 A665	M609-A631 HydrophobicContact CE-CB 3.36Å; M609-A631 HydrophobicContact CG-CB 4.46Å; T610-A631 CarbonylContact O-C 3.47Å; T610-A631 WeakPolarHBondContact O-CA 3.32Å; I611-A631 HydrophobicContact CG1-CB 4.23Å; L629-A631 HydrophobicContact CD2-CB 4.23Å; A631-Y641 CarbonylContact O-C 3.58Å; A631-Y641 VanDerWaalsContact O-CA 3.26Å; A631-Y641 WeakPolarHBondContact O-CA 3.49Å; A631-F642 PolarHBondContact N-O 2.62Å; A631-F642 PolarHBondContact O-N 2.79Å; A631-A665 HydrophobicContact CB-CB 3.78Å
632	S	97.6	Very high	90.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	147.9	171.4	75.3	0	0	0	0	111.4	T610	T610-S632 PolarHBondContact N-OG 2.98Å; T610-S632 PolarHBondContact O-N 3.21Å
633	M	94.8	Very high	91.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	84.8	-178.4	-67.6	-59.9	178.3	0	0	110.3	T640 F642 A665 Q668 Y669 Y673	M633-T640 PolarHBondContact N-O 2.89Å; M633-F642 HydrophobicContact CE-CB 3.23Å; M633-F642 HydrophobicContact CE-CD2 4.48Å; M633-F642 HydrophobicContact CE-CG 3.9Å; M633-A665 WeakPolarHBondContact CE-O 3.15Å; M633-Q668 HydrophobicContact CE-CB 3.75Å; M633-Q668 HydrophobicContact CE-CG 3.72Å; M633-Y669 HydrophobicContact SD-CD2 3.61Å; M633-Y669 HydrophobicContact SD-CG 4.02Å; M633-Y673 HydrophobicContact CB-CE2 4.03Å; M633-Y673 PolarHBondContact O-OH 3Å
634	D	88.1	Confident	92.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.103	C	C	.	.			trans	38.1	78.2	-175.6	-160.2	-0.4	0	0	0	114.4	Q636 Q637 N638 Y669 Y673	D634-Q636 PolarHBondContact O-N 3.43Å; D634-Q637 PolarHBondContact O-N 2.84Å; D634-Q637 PolarHBondContact OD2-NE2 3.2Å; D634-N638 CarbonylContact C-O 3.49Å; D634-N638 PolarHBondContact O-N 3.49Å; D634-Y669 HydrophobicContact CB-CE2 4Å; D634-Y669 WeakPolarHBondContact CB-OH 3.32Å; D634-Y673 HydrophobicContact CB-CD2 4.46Å; D634-Y673 HydrophobicContact CB-CE1 4.01Å; D634-Y673 HydrophobicContact CB-CE2 3.81Å; D634-Y673 WeakPolarHBondContact CB-OH 3.25Å; D634-Y673 PolarHBondContact O-OH 3.45Å
635	L	91.4	Very high	92.5	Very high	8 Å²	8	17.2 Å²	17.2	4%	0.042	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.6	-176	-76.5	-177.3	0	0	0	115.1	M600 L603 N638 Y641 M797 L800	M600-L635 HydrophobicContact CE-CB 3.43Å; M600-L635 VanDerWaalsContact CE-CB 3.43Å; M600-L635 HydrophobicContact CE-CD1 3.96Å; M600-L635 HydrophobicContact CE-CD2 3.82Å; M600-L635 HydrophobicContact CE-CG 3.88Å; M600-L635 WeakPolarHBondContact CE-O 3.46Å; M600-L635 HydrophobicContact SD-CD2 4.34Å; L603-L635 HydrophobicContact CD2-CB 3.62Å; L603-L635 HydrophobicContact CD2-CD1 4.31Å; L635-N638 WeakPolarHBondContact CA-O 3.39Å; L635-Y641 HydrophobicContact CD2-CE2 4.09Å; L635-M797 HydrophobicContact CD1-CE 3.7Å; L635-M797 HydrophobicContact CD1-SD 4.34Å; L635-L800 HydrophobicContact CD1-CD1 3.9Å
636	Q	82.6	Confident	92.7	Very high	105 Å²	105	18.7 Å²	18.7	49%	0.491	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-31.8	174.1	-172.3	-177.6	-7.7	0	0	112.3	S606 D634	S606-Q636 PolarHBondContact OG-OE1 3.19Å; D634-Q636 PolarHBondContact O-N 3.43Å
637	Q	83.3	Confident	92.6	Very high	122 Å²	122	21.7 Å²	21.7	57%	0.57	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-49.9	-177.1	-66.2	-175.1	60	0	0	112.3	D634 Y673	D634-Q637 PolarHBondContact O-N 2.84Å; D634-Q637 PolarHBondContact OD2-NE2 3.2Å; Q637-Y673 HydrophobicContact CB-CE1 3.95Å
638	N	78.2	Confident	92.2	Very high	64 Å²	64	22.5 Å²	22.5	34%	0.342	12%	0.115	S	C	.	.			trans	-128.6	128.4	177.6	-162.2	-1.7	0	0	0	110	D634 L635 T640 Y673	D634-N638 CarbonylContact C-O 3.49Å; D634-N638 PolarHBondContact O-N 3.49Å; L635-N638 WeakPolarHBondContact CA-O 3.39Å; N638-T640 PolarHBondContact ND2-OG1 3.39Å; N638-T640 PolarHBondContact O-N 3.01Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.48Å; N638-Y673 WeakPolarHBondContact CB-OH 3.37Å; N638-Y673 PolarHBondContact N-OH 3.25Å
639	S	86	Confident	91.4	Very high	10 Å²	10	25 Å²	25	7%	0.07	13%	0.133	C	C	.	.			trans	-87.9	38.4	-175.9	51.8	0	0	0	0	113.2	T597	T597-S639 WeakPolarHBondContact CB-OG 3.46Å; T597-S639 WeakPolarHBondContact CG2-OG 3.33Å; T597-S639 WeakPolarHBondContact OG1-CB 3.07Å; T597-S639 PolarHBondContact OG1-O 3.23Å; T597-S639 PolarHBondContact OG1-OG 3Å
640	T	93.6	Very high	90	Very high	17 Å²	17	25.7 Å²	25.7	10%	0.104	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	165.4	-175.3	64.1	0	0	0	0	113.5	M633 N638 K838	M633-T640 PolarHBondContact N-O 2.89Å; N638-T640 PolarHBondContact ND2-OG1 3.39Å; N638-T640 PolarHBondContact O-N 3.01Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.48Å; T640-K838 PolarHBondContact OG1-NZ 3.27Å
641	Y	97.4	Very high	88.1	Confident	6 Å²	6	33.7 Å²	33.7	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	156	-178.4	-64.6	-105.5	0	0	0	109.9	I630 A631 L635 Y802 V813 Y816 K838 F840	I630-Y641 HydrophobicContact CG2-CD1 3.94Å; A631-Y641 CarbonylContact O-C 3.58Å; A631-Y641 VanDerWaalsContact O-CA 3.26Å; A631-Y641 WeakPolarHBondContact O-CA 3.49Å; L635-Y641 HydrophobicContact CD2-CE2 4.09Å; Y641-Y802 HydrophobicContact CE2-CE2 4.22Å; Y641-V813 HydrophobicContact CD1-CG1 4.2Å; Y641-V813 HydrophobicContact CE1-CG1 3.78Å; Y641-Y816 HydrophobicContact CE1-CE2 4.31Å; Y641-K838 WeakPolarHBondContact O-CA 3.38Å; Y641-K838 WeakPolarHBondContact O-CE 3.37Å; Y641-F840 AromaticContact CD2-CE1 3.97Å; Y641-F840 HydrophobicContact CD2-CE1 3.97Å; Y641-F840 HydrophobicContact CD2-CE2 4.01Å; Y641-F840 AromaticContact CD2-CZ 3.19Å; Y641-F840 HydrophobicContact CD2-CZ 3.19Å; Y641-F840 AromaticContact CE2-CZ 3.72Å; Y641-F840 HydrophobicContact CE2-CZ 3.72Å; Y641-F840 HydrophobicContact CG-CE1 4.07Å; Y641-F840 AromaticContact CG-CZ 3.74Å; Y641-F840 HydrophobicContact CG-CZ 3.74Å
642	F	98.1	Very high	86.4	Confident	1 Å²	1	38.2 Å²	38.2	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.5	169.8	174.3	-94.6	0	0	0	108.8	I630 A631 M633 T644 K664 A665 Q668 E837 K838	I630-F642 CarbonylContact C-O 3.54Å; I630-F642 WeakPolarHBondContact CA-O 3.37Å; A631-F642 PolarHBondContact N-O 2.62Å; A631-F642 PolarHBondContact O-N 2.79Å; M633-F642 HydrophobicContact CE-CB 3.23Å; M633-F642 HydrophobicContact CE-CD2 4.48Å; M633-F642 HydrophobicContact CE-CG 3.9Å; F642-T644 HydrophobicContact CE1-CG2 3.89Å; F642-K664 HydrophobicContact CE1-CB 4.14Å; F642-K664 HydrophobicContact CZ-CB 3.91Å; F642-A665 HydrophobicContact CD1-CB 3.69Å; F642-A665 HydrophobicContact CE1-CB 3.95Å; F642-Q668 HydrophobicContact CD2-CB 3.99Å; F642-Q668 HydrophobicContact CD2-CG 3.77Å; F642-Q668 HydrophobicContact CE2-CB 4.19Å; F642-Q668 HydrophobicContact CE2-CG 4.28Å; F642-Q668 HydrophobicContact CG-CB 4.49Å; F642-Q668 HydrophobicContact CG-CG 4.44Å; F642-E837 CarbonylContact C-O 3.53Å; F642-E837 WeakPolarHBondContact CA-O 3.31Å; F642-E837 HydrophobicContact CD2-CB 3.87Å; F642-E837 HydrophobicContact CE2-CB 3.63Å; F642-E837 HydrophobicContact CE2-CG 3.92Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.33Å; F642-E837 HydrophobicContact CZ-CB 4.42Å; F642-E837 HydrophobicContact CZ-CG 4.29Å; F642-K838 HydrophobicContact CB-CD 4.44Å; F642-K838 HydrophobicContact CD2-CD 4.42Å
643	S	97.7	Very high	84.6	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.8	-176.1	60.8	0	0	0	0	110.7	L629 E837	L629-S643 WeakPolarHBondContact O-CA 3.39Å; S643-E837 PolarHBondContact N-O 3.21Å; S643-E837 WeakPolarHBondContact O-CG 3.36Å; S643-E837 PolarHBondContact OG-O 3.12Å
644	T	96.8	Very high	82.9	Confident	11 Å²	11	43.1 Å²	43.1	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.2	177.4	-167.1	0	0	0	0	110.7	A628 L629 F642 M661	A628-T644 WeakPolarHBondContact CA-O 3.41Å; L629-T644 HydrophobicContact CB-CG2 4.02Å; L629-T644 HydrophobicContact CD2-CG2 4.33Å; L629-T644 PolarHBondContact N-O 3.14Å; L629-T644 PolarHBondContact O-N 3.4Å; F642-T644 HydrophobicContact CE1-CG2 3.89Å; T644-M661 HydrophobicContact CG2-CB 3.46Å; T644-M661 VanDerWaalsContact CG2-CB 3.46Å; T644-M661 HydrophobicContact CG2-CG 3.5Å; T644-M661 VanDerWaalsContact CG2-CG 3.5Å; T644-M661 HydrophobicContact CG2-SD 3.88Å
645	V	95.2	Very high	81.4	Confident	10 Å²	10	43.5 Å²	43.5	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.4	-176.5	-172.8	0	0	0	0	109.2	Y626 G627 A628 L820 V824	Y626-V645 HydrophobicContact CD1-CG1 4.46Å; G627-V645 WeakPolarHBondContact O-CA 3.39Å; G627-V645 WeakPolarHBondContact O-CG1 3.39Å; A628-V645 HydrophobicContact CB-CG2 4.1Å; V645-L820 HydrophobicContact CG2-CD1 3.77Å; V645-L820 HydrophobicContact CG2-CD2 3.44Å; V645-L820 VanDerWaalsContact CG2-CD2 3.44Å; V645-L820 HydrophobicContact CG2-CG 3.43Å; V645-L820 VanDerWaalsContact CG2-CG 3.43Å; V645-V824 HydrophobicContact CG1-CB 4.4Å; V645-V824 HydrophobicContact CG1-CG1 4.21Å; V645-V824 HydrophobicContact CG1-CG2 4.11Å; V645-V824 HydrophobicContact CG2-CG2 4.23Å
646	T	92.6	Very high	80.1	Confident	32 Å²	32	49.3 Å²	49.3	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.6	172.1	-169.6	0	0	0	0	110.8	Y626 G627 M661	Y626-T646 WeakPolarHBondContact CA-O 3.34Å; G627-T646 PolarHBondContact N-O 3.07Å; G627-T646 PolarHBondContact O-N 3.22Å; T646-M661 HydrophobicContact CG2-CE 3.52Å; T646-M661 HydrophobicContact CG2-CG 4.43Å; T646-M661 HydrophobicContact CG2-SD 3.65Å
647	E	90.1	Very high	79.9	Confident	67 Å²	67	46.7 Å²	46.7	31%	0.313	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	145.3	167.7	-170.3	169	149.4	0	0	109.9	R624 Y626	R624-E647 WeakPolarHBondContact CD-OE1 3.18Å; R624-E647 WeakPolarHBondContact CG-OE1 3.34Å; R624-E647 IonicContact CZ-OE1 3.91Å; R624-E647 IonicContact NE-OE1 2.81Å; R624-E647 PolarHBondContact NE-OE1 3.28Å; R624-E647 IonicContact NH1-OE1 3.49Å; R624-E647 PolarHBondContact NH1-OE1 3.43Å; R624-E647 IonicContact NH1-OE2 2.66Å; R624-E647 PolarHBondContact NH1-OE2 2.96Å; Y626-E647 HydrophobicContact CD1-CB 4.12Å; Y626-E647 HydrophobicContact CD1-CG 4.37Å; Y626-E647 HydrophobicContact CE1-CB 3.89Å; Y626-E647 HydrophobicContact CE1-CG 3.92Å
648	C	83.7	Confident	80.2	Confident	16 Å²	16	41.1 Å²	41.1	11%	0.108	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	161.9	176.3	59.3	0	0	0	0	110.9	A625	A625-C648 VanDerWaalsContact C-SG 3.53Å; A625-C648 PolarHBondContact N-O 3.12Å; A625-C648 PolarHBondContact O-N 3.25Å; A625-C648 VanDerWaalsContact O-O 3.07Å; A625-C648 PolarHBondContact O-SG 2.82Å
649	S	78.3	Confident	80.9	Confident	54 Å²	54	39.6 Å²	39.6	38%	0.378	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	134.7	173.2	175.7	0	0	0	0	110.1	F651 D652	S649-F651 PolarHBondContact O-N 3.45Å; S649-F651 PolarHBondContact OG-N 3.12Å; S649-D652 CarbonylContact O-C 3.56Å; S649-D652 PolarHBondContact O-N 2.97Å; S649-D652 PolarHBondContact OG-N 2.87Å
650	A	67.7	Low	81.2	Confident	14 Å²	14	42.4 Å²	42.4	12%	0.116	23%	0.233	C	C	.	.	S	Bend	trans	-67.8	-15.4	175	0	0	0	0	0	113.2	R622 K623 A625	R622-A650 WeakPolarHBondContact O-CB 3.48Å; K623-A650 VanDerWaalsContact O-CB 3.31Å; K623-A650 WeakPolarHBondContact O-CB 3.39Å; K623-A650 PolarHBondContact O-N 2.95Å; A625-A650 HydrophobicContact CB-CB 4.37Å
651	F	59.5	Low	81.3	Confident	167 Å²	167	41.9 Å²	41.9	73%	0.732	23%	0.229	S	C	*	.	S	Bend	trans	-100.7	-25	-179.7	-58.1	-75.5	0	0	0	113.1	K623 S649	K623-F651 HydrophobicContact CB-CE2 4.16Å; K623-F651 HydrophobicContact CG-CE2 4.03Å; S649-F651 PolarHBondContact O-N 3.45Å; S649-F651 PolarHBondContact OG-N 3.12Å
652	D	62.5	Low	81.3	Confident	95 Å²	95	41.7 Å²	41.7	51%	0.508	23%	0.229	S	C	.	.			trans	-125.1	78.3	178.9	-166.2	6.5	0	0	0	109.1	S649 L654	S649-D652 CarbonylContact O-C 3.56Å; S649-D652 PolarHBondContact O-N 2.97Å; S649-D652 PolarHBondContact OG-N 2.87Å; D652-L654 PolarHBondContact O-N 3.21Å
653	V	58.3	Low	81.2	Confident	54 Å²	54	42 Å²	42	33%	0.327	23%	0.231	S	C	.	.			trans	-80.6	-5.5	-177.4	177.9	0	0	0	0	111	I615 A655	I615-V653 HydrophobicContact CD1-CG1 3.15Å; V653-A655 PolarHBondContact O-N 3.13Å
654	L	59.1	Low	81.1	Confident	49 Å²	49	45 Å²	45	26%	0.257	24%	0.244	S	C	.	.	S	Bend	trans	-84.7	112.5	-167.6	-65.4	167.6	0	0	0	111.3	D652 N656 Q694 F698	D652-L654 PolarHBondContact O-N 3.21Å; L654-N656 PolarHBondContact O-N 2.93Å; L654-Q694 HydrophobicContact CD1-CB 4.46Å; L654-F698 HydrophobicContact CD1-CD2 4.17Å
655	A	57.8	Low	81.2	Confident	9 Å²	9	44.5 Å²	44.5	7%	0.074	24%	0.241	C	C	.	.	S	Bend	trans	63.4	-30.5	150.1	0	0	0	0	0	121.9	V653 T657 L658 F698 E699	V653-A655 PolarHBondContact O-N 3.13Å; A655-T657 PolarHBondContact O-N 2.86Å; A655-L658 PolarHBondContact O-N 3.48Å; A655-F698 HydrophobicContact CB-CB 4.14Å; A655-F698 WeakPolarHBondContact CB-O 3.41Å; A655-E699 HydrophobicContact CB-CG 3.98Å
656	N	63.9	Low	81.3	Confident	130 Å²	130	44.2 Å²	44.2	70%	0.695	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-26.8	-168	-80.9	-21.3	0	0	0	115.2	L654	L654-N656 PolarHBondContact O-N 2.93Å
657	T	78.9	Confident	81.5	Confident	50 Å²	50	49.9 Å²	49.9	31%	0.307	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-8.3	-179.3	58.1	0	0	0	0	113.8	A655 P660 M661	A655-T657 PolarHBondContact O-N 2.86Å; T657-P660 WeakPolarHBondContact O-CD 3.47Å; T657-M661 WeakPolarHBondContact O-CE 3.47Å
658	L	88.9	Confident	81.8	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-72.1	-45.9	-177.2	177.1	58.3	0	0	0	112.2	F613 L629 A655 M661 I662 F682 E699 I703	F613-L658 HydrophobicContact CD1-CD1 4.16Å; F613-L658 HydrophobicContact CD2-CD1 3.89Å; F613-L658 HydrophobicContact CE1-CD1 4.23Å; F613-L658 HydrophobicContact CE2-CD1 4.01Å; F613-L658 HydrophobicContact CG-CD1 4Å; F613-L658 HydrophobicContact CZ-CD1 4.18Å; L629-L658 HydrophobicContact CD1-CD1 3.83Å; A655-L658 PolarHBondContact O-N 3.48Å; L658-M661 HydrophobicContact CD1-CE 4.07Å; L658-M661 WeakPolarHBondContact O-CB 3.38Å; L658-M661 PolarHBondContact O-N 3.16Å; L658-M661 VanDerWaalsContact O-N 3.13Å; L658-I662 HydrophobicContact CD1-CD1 4.21Å; L658-I662 HydrophobicContact CD1-CG1 4.34Å; L658-I662 HydrophobicContact CD2-CD1 4.41Å; L658-I662 HydrophobicContact CG-CD1 3.91Å; L658-I662 HydrophobicContact CG-CG1 4.45Å; L658-I662 PolarHBondContact O-N 3.28Å; L658-F682 HydrophobicContact CD1-CE2 4.43Å; L658-F682 HydrophobicContact CD1-CZ 4.1Å; L658-F682 HydrophobicContact CD2-CZ 4.15Å; L658-E699 HydrophobicContact CD2-CG 4.45Å; L658-I703 HydrophobicContact CD2-CD1 3.95Å
659	W	92.6	Very high	82.4	Confident	32 Å²	32	48.1 Å²	48.1	12%	0.121	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-46.3	-175.3	174.8	-103.4	0	0	0	114.4	M661 I662 A663 K706 L707 E710	W659-M661 PolarHBondContact O-N 3.39Å; W659-M661 VanDerWaalsContact O-N 3.14Å; W659-I662 HydrophobicContact CE3-CB 4.28Å; W659-I662 HydrophobicContact CE3-CD1 4.46Å; W659-I662 HydrophobicContact CE3-CG2 4.34Å; W659-I662 HydrophobicContact CZ3-CB 4.49Å; W659-I662 HydrophobicContact CZ3-CG2 4.06Å; W659-I662 PolarHBondContact O-N 3.41Å; W659-A663 HydrophobicContact CZ2-CB 4.38Å; W659-A663 PolarHBondContact O-N 3.18Å; W659-K706 HydrophobicContact CB-CD 3.86Å; W659-K706 HydrophobicContact CD2-CB 3.58Å; W659-K706 HydrophobicContact CD2-CD 3.32Å; W659-K706 HydrophobicContact CD2-CG 4.09Å; W659-K706 HydrophobicContact CE3-CB 3.5Å; W659-K706 VanDerWaalsContact CE3-CB 3.5Å; W659-K706 HydrophobicContact CE3-CD 3.82Å; W659-K706 HydrophobicContact CE3-CG 4.33Å; W659-K706 HydrophobicContact CG-CB 4.44Å; W659-K706 HydrophobicContact CG-CD 3.28Å; W659-K706 HydrophobicContact CG-CG 4.47Å; W659-K706 HydrophobicContact CH2-CB 3.37Å; W659-K706 VanDerWaalsContact CH2-O 3.27Å; W659-K706 WeakPolarHBondContact CH2-O 3.44Å; W659-K706 HydrophobicContact CZ2-CB 3.44Å; W659-K706 VanDerWaalsContact CZ2-CB 3.44Å; W659-K706 HydrophobicContact CZ2-CD 4.47Å; W659-K706 HydrophobicContact CZ2-CG 4.48Å; W659-K706 HydrophobicContact CZ3-CB 3.39Å; W659-L707 HydrophobicContact CH2-CD2 4.32Å; W659-L707 HydrophobicContact CH2-CG 4.44Å; W659-L707 HydrophobicContact CZ3-CD2 4.31Å; W659-L707 HydrophobicContact CZ3-CG 4.19Å; W659-E710 HydrophobicContact CH2-CG 3.71Å; W659-E710 HydrophobicContact CZ2-CG 3.33Å
660	P	93.6	Very high	83.2	Confident	70 Å²	70	48.7 Å²	48.7	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-52.5	-37.1	175.5	-28.7	35.1	0	0	0	113.6	T657 K664	T657-P660 WeakPolarHBondContact O-CD 3.47Å; P660-K664 WeakPolarHBondContact O-CG 3.43Å; P660-K664 PolarHBondContact O-N 3.36Å
661	M	95.4	Very high	84.6	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.025	27%	0.265	C	S	.	.	H	α-helix	trans	-68.7	-41.6	177.2	-66.9	-173.1	-70.6	0	0	112.3	F613 L629 T644 T646 T657 L658 W659 K664 A665	F613-M661 HydrophobicContact CD2-CE 4.22Å; F613-M661 HydrophobicContact CE2-CE 3.52Å; F613-M661 HydrophobicContact CZ-CE 4.25Å; L629-M661 HydrophobicContact CB-CB 4.01Å; L629-M661 HydrophobicContact CB-CE 4.35Å; L629-M661 HydrophobicContact CB-SD 3.96Å; L629-M661 HydrophobicContact CD1-CB 3.94Å; L629-M661 HydrophobicContact CG-CB 4.41Å; T644-M661 HydrophobicContact CG2-CB 3.46Å; T644-M661 VanDerWaalsContact CG2-CB 3.46Å; T644-M661 HydrophobicContact CG2-CG 3.5Å; T644-M661 VanDerWaalsContact CG2-CG 3.5Å; T644-M661 HydrophobicContact CG2-SD 3.88Å; T646-M661 HydrophobicContact CG2-CE 3.52Å; T646-M661 HydrophobicContact CG2-CG 4.43Å; T646-M661 HydrophobicContact CG2-SD 3.65Å; T657-M661 WeakPolarHBondContact O-CE 3.47Å; L658-M661 HydrophobicContact CD1-CE 4.07Å; L658-M661 WeakPolarHBondContact O-CB 3.38Å; L658-M661 PolarHBondContact O-N 3.16Å; L658-M661 VanDerWaalsContact O-N 3.13Å; W659-M661 PolarHBondContact O-N 3.39Å; W659-M661 VanDerWaalsContact O-N 3.14Å; M661-K664 PolarHBondContact O-N 3.02Å; M661-A665 PolarHBondContact O-N 3.41Å
662	I	96.3	Very high	86.2	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-46.2	175.2	-63.2	172.5	0	0	0	110.1	L629 L658 W659 K664 A665 L666 F682 I703	L629-I662 HydrophobicContact CD1-CG1 3.61Å; L658-I662 HydrophobicContact CD1-CD1 4.21Å; L658-I662 HydrophobicContact CD1-CG1 4.34Å; L658-I662 HydrophobicContact CD2-CD1 4.41Å; L658-I662 HydrophobicContact CG-CD1 3.91Å; L658-I662 HydrophobicContact CG-CG1 4.45Å; L658-I662 PolarHBondContact O-N 3.28Å; W659-I662 HydrophobicContact CE3-CB 4.28Å; W659-I662 HydrophobicContact CE3-CD1 4.46Å; W659-I662 HydrophobicContact CE3-CG2 4.34Å; W659-I662 HydrophobicContact CZ3-CB 4.49Å; W659-I662 HydrophobicContact CZ3-CG2 4.06Å; W659-I662 PolarHBondContact O-N 3.41Å; I662-K664 PolarHBondContact O-N 3.46Å; I662-A665 WeakPolarHBondContact O-CB 3.35Å; I662-A665 PolarHBondContact O-N 2.85Å; I662-A665 VanDerWaalsContact O-N 3.11Å; I662-L666 HydrophobicContact CG2-CD1 4.06Å; I662-L666 HydrophobicContact CG2-CG 4.34Å; I662-L666 WeakPolarHBondContact O-CG 3.49Å; I662-L666 PolarHBondContact O-N 3.21Å; I662-F682 HydrophobicContact CD1-CE2 3.98Å; I662-F682 HydrophobicContact CG1-CE2 4.39Å; I662-I703 HydrophobicContact CD1-CD1 3.89Å; I662-I703 HydrophobicContact CD1-CG1 3.86Å
663	A	96.1	Very high	87.7	Confident	7 Å²	7	45.5 Å²	45.5	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-42.9	178.5	0	0	0	0	0	112	W659 A665 L666 R667	W659-A663 HydrophobicContact CZ2-CB 4.38Å; W659-A663 PolarHBondContact O-N 3.18Å; A663-A665 VanDerWaalsContact C-N 3.34Å; A663-A665 PolarHBondContact O-N 2.82Å; A663-L666 PolarHBondContact O-N 3.34Å; A663-R667 VanDerWaalsContact O-CG 3.3Å; A663-R667 WeakPolarHBondContact O-CG 3.5Å; A663-R667 PolarHBondContact O-N 3.37Å
664	K	96.8	Very high	89.4	Confident	65 Å²	65	52.4 Å²	52.4	28%	0.283	24%	0.244	S	C	.	.	H	α-helix	trans	-59.1	-44.4	172.9	-74.9	-179.8	69.6	-178	0	111.9	F642 P660 M661 I662 R667 Q668 E837	F642-K664 HydrophobicContact CE1-CB 4.14Å; F642-K664 HydrophobicContact CZ-CB 3.91Å; P660-K664 WeakPolarHBondContact O-CG 3.43Å; P660-K664 PolarHBondContact O-N 3.36Å; M661-K664 PolarHBondContact O-N 3.02Å; I662-K664 PolarHBondContact O-N 3.46Å; K664-R667 PolarHBondContact O-N 3.45Å; K664-Q668 WeakPolarHBondContact O-CB 3.44Å; K664-Q668 PolarHBondContact O-N 2.78Å; K664-E837 WeakPolarHBondContact CE-OE1 3.47Å; K664-E837 IonicContact NZ-OE1 3.8Å; K664-E837 PolarHBondContact NZ-OE1 3.35Å
665	A	97.7	Very high	91.1	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.7	-39.7	179.2	0	0	0	0	0	112.3	M609 L629 A631 M633 F642 M661 I662 A663 Q668 Y669	M609-A665 HydrophobicContact CE-CB 3.33Å; L629-A665 HydrophobicContact CD2-CB 4.2Å; A631-A665 HydrophobicContact CB-CB 3.78Å; M633-A665 WeakPolarHBondContact CE-O 3.15Å; F642-A665 HydrophobicContact CD1-CB 3.69Å; F642-A665 HydrophobicContact CE1-CB 3.95Å; M661-A665 PolarHBondContact O-N 3.41Å; I662-A665 WeakPolarHBondContact O-CB 3.35Å; I662-A665 PolarHBondContact O-N 2.85Å; I662-A665 VanDerWaalsContact O-N 3.11Å; A663-A665 VanDerWaalsContact C-N 3.34Å; A663-A665 PolarHBondContact O-N 2.82Å; A665-Q668 PolarHBondContact O-N 3.5Å; A665-Y669 WeakPolarHBondContact O-CB 3.34Å; A665-Y669 PolarHBondContact O-N 2.78Å
666	L	97.8	Very high	92.9	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-43.8	174.3	-70.6	172.5	0	0	0	112.2	M609 I662 A663 Y669 Q670 L676 P677 I680 L707 Y711	M609-L666 HydrophobicContact SD-CD2 3.89Å; I662-L666 HydrophobicContact CG2-CD1 4.06Å; I662-L666 HydrophobicContact CG2-CG 4.34Å; I662-L666 WeakPolarHBondContact O-CG 3.49Å; I662-L666 PolarHBondContact O-N 3.21Å; A663-L666 PolarHBondContact O-N 3.34Å; L666-Y669 WeakPolarHBondContact O-CB 3.5Å; L666-Y669 PolarHBondContact O-N 2.75Å; L666-Q670 WeakPolarHBondContact O-CB 3.5Å; L666-Q670 PolarHBondContact O-N 3.32Å; L666-L676 HydrophobicContact CB-CD2 4.17Å; L666-L676 HydrophobicContact CD2-CD2 4.5Å; L666-P677 HydrophobicContact CD2-CG 3.75Å; L666-I680 HydrophobicContact CD2-CD1 4.01Å; L666-L707 HydrophobicContact CD1-CD2 3.75Å; L666-Y711 HydrophobicContact CD1-CE2 4.43Å; L666-Y711 HydrophobicContact CD2-CE2 4.44Å
667	R	96.6	Very high	94.5	Very high	150 Å²	150	49 Å²	49	57%	0.566	22%	0.22	S	C	*	.	H	α-helix	trans	-62.3	-43.2	176.1	-71.6	174.1	-171.1	174	2.7	111.7	A663 K664 Y669 Q670 H671	A663-R667 VanDerWaalsContact O-CG 3.3Å; A663-R667 WeakPolarHBondContact O-CG 3.5Å; A663-R667 PolarHBondContact O-N 3.37Å; K664-R667 PolarHBondContact O-N 3.45Å; R667-Y669 VanDerWaalsContact C-N 3.34Å; R667-Q670 PolarHBondContact O-N 3.2Å; R667-H671 WeakPolarHBondContact O-CB 3.46Å; R667-H671 PolarHBondContact O-N 3.34Å
668	Q	96.9	Very high	95.3	Very high	47 Å²	47	50 Å²	50	22%	0.22	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-41.9	175.9	-174.6	63.1	31.7	0	0	111.5	M633 F642 K664 A665 H671 E672 K838	M633-Q668 HydrophobicContact CE-CB 3.75Å; M633-Q668 HydrophobicContact CE-CG 3.72Å; F642-Q668 HydrophobicContact CD2-CB 3.99Å; F642-Q668 HydrophobicContact CD2-CG 3.77Å; F642-Q668 HydrophobicContact CE2-CB 4.19Å; F642-Q668 HydrophobicContact CE2-CG 4.28Å; F642-Q668 HydrophobicContact CG-CB 4.49Å; F642-Q668 HydrophobicContact CG-CG 4.44Å; K664-Q668 WeakPolarHBondContact O-CB 3.44Å; K664-Q668 PolarHBondContact O-N 2.78Å; A665-Q668 PolarHBondContact O-N 3.5Å; Q668-H671 PolarHBondContact O-N 2.97Å; Q668-E672 PolarHBondContact NE2-OE1 3.46Å; Q668-E672 PolarHBondContact O-N 2.9Å; Q668-E672 VanDerWaalsContact O-N 3.09Å; Q668-K838 HydrophobicContact CG-CD 4.17Å
669	Y	96.4	Very high	95.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-48.8	175.1	-170.6	-73.9	0	0	0	111.1	G607 M609 M633 D634 A665 L666 R667 H671 E672 Y673 K675 P677	G607-Y669 WeakPolarHBondContact CA-OH 3.08Å; M609-Y669 HydrophobicContact CB-CD2 4.42Å; M609-Y669 HydrophobicContact CB-CE2 4.31Å; M633-Y669 HydrophobicContact SD-CD2 3.61Å; M633-Y669 HydrophobicContact SD-CG 4.02Å; D634-Y669 HydrophobicContact CB-CE2 4Å; D634-Y669 WeakPolarHBondContact CB-OH 3.32Å; A665-Y669 WeakPolarHBondContact O-CB 3.34Å; A665-Y669 PolarHBondContact O-N 2.78Å; L666-Y669 WeakPolarHBondContact O-CB 3.5Å; L666-Y669 PolarHBondContact O-N 2.75Å; R667-Y669 VanDerWaalsContact C-N 3.34Å; Y669-H671 VanDerWaalsContact C-N 3.29Å; Y669-H671 PolarHBondContact O-N 3.07Å; Y669-E672 PolarHBondContact O-N 3.11Å; Y669-Y673 AromaticContact CD1-CD2 3.94Å; Y669-Y673 HydrophobicContact CD1-CD2 3.94Å; Y669-Y673 HydrophobicContact CD2-CD2 4.22Å; Y669-Y673 HydrophobicContact CD2-CE2 4.37Å; Y669-Y673 AromaticContact CE1-CD2 3.85Å; Y669-Y673 HydrophobicContact CE1-CD2 3.85Å; Y669-Y673 HydrophobicContact CE1-CG 4.27Å; Y669-Y673 HydrophobicContact CE2-CD2 4.14Å; Y669-Y673 HydrophobicContact CE2-CE2 4.21Å; Y669-Y673 HydrophobicContact CG-CD2 4.12Å; Y669-Y673 AromaticContact CZ-CD2 3.95Å; Y669-Y673 WeakPolarHBondContact O-CD2 3.42Å; Y669-Y673 PolarHBondContact O-N 3.23Å; Y669-K675 WeakPolarHBondContact CD1-O 3.5Å; Y669-K675 WeakPolarHBondContact CE1-O 3.49Å; Y669-P677 HydrophobicContact CD1-CB 4.28Å; Y669-P677 HydrophobicContact CD1-CG 4.25Å; Y669-P677 HydrophobicContact CD2-CB 4.38Å; Y669-P677 HydrophobicContact CD2-CG 4.48Å; Y669-P677 HydrophobicContact CE1-CB 3.85Å; Y669-P677 HydrophobicContact CE1-CG 4.32Å; Y669-P677 HydrophobicContact CE2-CB 3.96Å; Y669-P677 HydrophobicContact CG-CG 4.34Å
670	Q	95.6	Very high	95.9	Very high	66 Å²	66	51.8 Å²	51.8	31%	0.308	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-35.6	177.7	-171.1	-178.8	9.9	0	0	112.4	L666 R667 R674 K675 L676	L666-Q670 WeakPolarHBondContact O-CB 3.5Å; L666-Q670 PolarHBondContact O-N 3.32Å; R667-Q670 PolarHBondContact O-N 3.2Å; Q670-R674 WeakPolarHBondContact O-CA 3.35Å; Q670-R674 PolarHBondContact O-N 2.83Å; Q670-K675 WeakPolarHBondContact CA-O 2.84Å; Q670-L676 HydrophobicContact CB-CD2 3.95Å; Q670-L676 HydrophobicContact CB-CG 4.48Å; Q670-L676 HydrophobicContact CG-CD2 4.44Å; Q670-L676 HydrophobicContact CG-CG 4.5Å
671	H	95.4	Very high	96.1	Very high	120 Å²	120	48.4 Å²	48.4	56%	0.556	21%	0.214	S	C	*	.	H	α-helix	trans	-63.7	-43.6	176.5	-175.7	80.6	0	0	0	111.8	R667 Q668 Y669	R667-H671 WeakPolarHBondContact O-CB 3.46Å; R667-H671 PolarHBondContact O-N 3.34Å; Q668-H671 PolarHBondContact O-N 2.97Å; Y669-H671 VanDerWaalsContact C-N 3.29Å; Y669-H671 PolarHBondContact O-N 3.07Å
672	E	94.2	Very high	96.3	Very high	57 Å²	57	48.3 Å²	48.3	27%	0.266	21%	0.213	S	C	.	.	H	α-helix	trans	-74.8	-38.3	-179.3	-74.2	176.6	-145.7	0	0	113.2	Q668 Y669 K838	Q668-E672 PolarHBondContact NE2-OE1 3.46Å; Q668-E672 PolarHBondContact O-N 2.9Å; Q668-E672 VanDerWaalsContact O-N 3.09Å; Y669-E672 PolarHBondContact O-N 3.11Å; E672-K838 WeakPolarHBondContact OE1-CD 3.32Å; E672-K838 WeakPolarHBondContact OE1-CE 3.15Å; E672-K838 IonicContact OE1-NZ 2.83Å; E672-K838 PolarHBondContact OE1-NZ 3.27Å; E672-K838 IonicContact OE2-NZ 2.58Å; E672-K838 PolarHBondContact OE2-NZ 3.48Å
673	Y	93.2	Very high	96.3	Very high	32 Å²	32	48.1 Å²	48.1	13%	0.125	21%	0.213	C	C	.	.	H	α-helix	trans	-108.3	-2.8	-171.9	-67.3	-71.8	0	0	0	115	M633 D634 Q637 N638 Y669 K675	M633-Y673 HydrophobicContact CB-CE2 4.03Å; M633-Y673 PolarHBondContact O-OH 3Å; D634-Y673 HydrophobicContact CB-CD2 4.46Å; D634-Y673 HydrophobicContact CB-CE1 4.01Å; D634-Y673 HydrophobicContact CB-CE2 3.81Å; D634-Y673 WeakPolarHBondContact CB-OH 3.25Å; D634-Y673 PolarHBondContact O-OH 3.45Å; Q637-Y673 HydrophobicContact CB-CE1 3.95Å; N638-Y673 WeakPolarHBondContact CB-OH 3.37Å; N638-Y673 PolarHBondContact N-OH 3.25Å; Y669-Y673 AromaticContact CD1-CD2 3.94Å; Y669-Y673 HydrophobicContact CD1-CD2 3.94Å; Y669-Y673 HydrophobicContact CD2-CD2 4.22Å; Y669-Y673 HydrophobicContact CD2-CE2 4.37Å; Y669-Y673 AromaticContact CE1-CD2 3.85Å; Y669-Y673 HydrophobicContact CE1-CD2 3.85Å; Y669-Y673 HydrophobicContact CE1-CG 4.27Å; Y669-Y673 HydrophobicContact CE2-CD2 4.14Å; Y669-Y673 HydrophobicContact CE2-CE2 4.21Å; Y669-Y673 HydrophobicContact CG-CD2 4.12Å; Y669-Y673 AromaticContact CZ-CD2 3.95Å; Y669-Y673 WeakPolarHBondContact O-CD2 3.42Å; Y669-Y673 PolarHBondContact O-N 3.23Å; Y673-K675 PolarHBondContact O-N 2.72Å
674	R	94.3	Very high	96.2	Very high	199 Å²	199	48.3 Å²	48.3	75%	0.751	21%	0.212	S	C	*	.	S	Bend	trans	56.4	14.9	-173.1	-53.2	-58	-175.1	174.5	-0.8	114.3	Q670	Q670-R674 WeakPolarHBondContact O-CA 3.35Å; Q670-R674 PolarHBondContact O-N 2.83Å
675	K	94.1	Very high	95.7	Very high	103 Å²	103	45.5 Å²	45.5	45%	0.448	20%	0.2	S	C	.	.	S	Bend	trans	-148.8	153.5	178.7	66.9	-171.9	177.5	-178.9	0	110.3	Y669 Q670 Y673	Y669-K675 WeakPolarHBondContact CD1-O 3.5Å; Y669-K675 WeakPolarHBondContact CE1-O 3.49Å; Q670-K675 WeakPolarHBondContact CA-O 2.84Å; Y673-K675 PolarHBondContact O-N 2.72Å
676	L	96.8	Very high	94.5	Very high	12 Å²	12	48.2 Å²	48.2	6%	0.063	23%	0.227	C	C	.	.			trans	-78.7	156.2	171.5	-71.7	171.3	0	0	0	110.9	L666 Q670 Y711 V714	L666-L676 HydrophobicContact CB-CD2 4.17Å; L666-L676 HydrophobicContact CD2-CD2 4.5Å; Q670-L676 HydrophobicContact CB-CD2 3.95Å; Q670-L676 HydrophobicContact CB-CG 4.48Å; Q670-L676 HydrophobicContact CG-CD2 4.44Å; Q670-L676 HydrophobicContact CG-CG 4.5Å; L676-Y711 HydrophobicContact CB-CD1 4.41Å; L676-Y711 HydrophobicContact CB-CE1 3.71Å; L676-Y711 HydrophobicContact CD1-CD1 4.04Å; L676-Y711 HydrophobicContact CD1-CD2 4.15Å; L676-Y711 HydrophobicContact CD1-CE1 4.06Å; L676-Y711 HydrophobicContact CD1-CE2 4.18Å; L676-Y711 HydrophobicContact CD1-CG 4.09Å; L676-V714 HydrophobicContact CD1-CB 4.41Å; L676-V714 HydrophobicContact CD1-CG2 3.94Å
677	P	96.8	Very high	93.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.			trans	-68.2	135	178.6	26	-30.6	0	0	0	111	M609 L666 Y669 R679 I680 Y711	M609-P677 HydrophobicContact CB-CB 3.75Å; M609-P677 HydrophobicContact CB-CG 3.93Å; M609-P677 HydrophobicContact SD-CG 3.84Å; L666-P677 HydrophobicContact CD2-CG 3.75Å; Y669-P677 HydrophobicContact CD1-CB 4.28Å; Y669-P677 HydrophobicContact CD1-CG 4.25Å; Y669-P677 HydrophobicContact CD2-CB 4.38Å; Y669-P677 HydrophobicContact CD2-CG 4.48Å; Y669-P677 HydrophobicContact CE1-CB 3.85Å; Y669-P677 HydrophobicContact CE1-CG 4.32Å; Y669-P677 HydrophobicContact CE2-CB 3.96Å; Y669-P677 HydrophobicContact CG-CG 4.34Å; P677-R679 VanDerWaalsContact C-N 3.27Å; P677-R679 PolarHBondContact O-N 3.04Å; P677-I680 HydrophobicContact CG-CD1 4.32Å; P677-I680 HydrophobicContact CG-CG1 4.17Å; P677-Y711 WeakPolarHBondContact CD-OH 3.27Å; P677-Y711 WeakPolarHBondContact CG-OH 3.09Å; P677-Y711 PolarHBondContact O-OH 3.38Å
678	S	95.8	Very high	92.1	Very high	71 Å²	71	45 Å²	45	50%	0.497	23%	0.227	S	C	.	.	S	Bend	trans	-72.9	-25.3	176.2	-48.4	0	0	0	0	112.3	G607 Q720	G607-S678 PolarHBondContact O-N 3.03Å; S678-Q720 PolarHBondContact O-N 3.34Å
679	R	96.6	Very high	90.6	Very high	71 Å²	71	46.7 Å²	46.7	27%	0.268	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.5	-174.2	-54.8	-177.3	-179.8	106.6	-2.3	111	S606 G607 L608 M609 P677 Q720 M783	S606-R679 PolarHBondContact O-NH1 3.36Å; G607-R679 PolarHBondContact O-N 2.9Å; G607-R679 VanDerWaalsContact O-N 3.1Å; L608-R679 HydrophobicContact CD1-CB 3.87Å; M609-R679 PolarHBondContact N-O 2.96Å; P677-R679 VanDerWaalsContact C-N 3.27Å; P677-R679 PolarHBondContact O-N 3.04Å; R679-Q720 CarbonylContact C-O 3.49Å; R679-Q720 WeakPolarHBondContact CA-O 3.42Å; R679-Q720 HydrophobicContact CG-CB 4.26Å; R679-Q720 VanDerWaalsContact NE-OE1 3.09Å; R679-M783 HydrophobicContact CB-CE 4.02Å; R679-M783 HydrophobicContact CB-SD 4.06Å; R679-M783 HydrophobicContact CG-CE 4.4Å; R679-M783 HydrophobicContact CG-SD 4.49Å
680	I	98.1	Very high	89.2	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.1	177.1	-56.5	180	0	0	0	109.4	M609 I611 L666 P677 L707 P719 Q720 L721 A722	M609-I680 HydrophobicContact CB-CG1 4.43Å; M609-I680 VanDerWaalsContact O-CA 3.31Å; M609-I680 WeakPolarHBondContact O-CA 3.27Å; I611-I680 HydrophobicContact CD1-CG2 3.73Å; I611-I680 HydrophobicContact CG1-CG2 4.25Å; L666-I680 HydrophobicContact CD2-CD1 4.01Å; P677-I680 HydrophobicContact CG-CD1 4.32Å; P677-I680 HydrophobicContact CG-CG1 4.17Å; I680-L707 HydrophobicContact CD1-CD1 4.3Å; I680-L707 HydrophobicContact CD1-CD2 3.89Å; I680-P719 HydrophobicContact CD1-CB 4.33Å; I680-P719 HydrophobicContact CD1-CG 3.83Å; I680-P719 HydrophobicContact CG1-CB 4.35Å; I680-P719 HydrophobicContact CG1-CG 4.33Å; I680-Q720 PolarHBondContact N-O 3.49Å; I680-L721 HydrophobicContact CB-CD1 4.05Å; I680-L721 HydrophobicContact CG2-CD1 3.95Å; I680-L721 CarbonylContact O-C 3.57Å; I680-L721 WeakPolarHBondContact O-CA 3.38Å; I680-A722 PolarHBondContact O-N 2.99Å
681	V	98.3	Very high	88.1	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.3	169.8	176.1	0	0	0	0	108.5	L608 M609 T610 I611 Y683 A722 I724 M783 L793	L608-V681 HydrophobicContact CD1-CB 4.39Å; L608-V681 HydrophobicContact CD1-CG2 3.81Å; M609-V681 PolarHBondContact O-N 3.41Å; T610-V681 CarbonylContact C-O 3.56Å; T610-V681 WeakPolarHBondContact CA-O 3.46Å; T610-V681 HydrophobicContact CG2-CB 4.39Å; T610-V681 HydrophobicContact CG2-CG1 4.48Å; I611-V681 PolarHBondContact N-O 3.43Å; V681-Y683 HydrophobicContact CG1-CD2 4.09Å; V681-Y683 HydrophobicContact CG1-CE1 4.44Å; V681-Y683 HydrophobicContact CG1-CE2 3.56Å; V681-A722 HydrophobicContact CG2-CB 4.41Å; V681-I724 HydrophobicContact CG1-CD1 4.05Å; V681-M783 HydrophobicContact CG2-CE 3.83Å; V681-M783 HydrophobicContact CG2-SD 4.37Å; V681-L793 HydrophobicContact CG2-CD2 4.02Å
682	F	97.9	Very high	87.5	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.6	-177.4	-166.2	-75.9	0	0	0	110.3	I611 F613 L629 L658 I662 R684 A722 Y723 I724	I611-F682 HydrophobicContact CB-CD2 3.73Å; I611-F682 HydrophobicContact CB-CE2 4.18Å; I611-F682 HydrophobicContact CB-CG 4.37Å; I611-F682 HydrophobicContact CD1-CD2 4.12Å; I611-F682 HydrophobicContact CG1-CD2 4.49Å; I611-F682 HydrophobicContact CG2-CD2 3.6Å; I611-F682 HydrophobicContact CG2-CE2 3.51Å; I611-F682 HydrophobicContact CG2-CG 4.49Å; I611-F682 HydrophobicContact CG2-CZ 4.33Å; F613-F682 HydrophobicContact CB-CE1 4.01Å; F613-F682 HydrophobicContact CB-CZ 3.65Å; F613-F682 HydrophobicContact CG-CZ 4.32Å; L629-F682 HydrophobicContact CD1-CE2 4.38Å; L658-F682 HydrophobicContact CD1-CE2 4.43Å; L658-F682 HydrophobicContact CD1-CZ 4.1Å; L658-F682 HydrophobicContact CD2-CZ 4.15Å; I662-F682 HydrophobicContact CD1-CE2 3.98Å; I662-F682 HydrophobicContact CG1-CE2 4.39Å; F682-R684 HydrophobicContact CD1-CB 4.32Å; F682-R684 HydrophobicContact CE1-CB 4.07Å; F682-A722 PolarHBondContact N-O 3.43Å; F682-Y723 HydrophobicContact CB-CD2 4.09Å; F682-Y723 AromaticContact CD1-CD2 3.71Å; F682-Y723 HydrophobicContact CD1-CD2 3.71Å; F682-Y723 AromaticContact CD1-CE2 3.42Å; F682-Y723 HydrophobicContact CD1-CE2 3.42Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.42Å; F682-Y723 HydrophobicContact CD1-CG 4.46Å; F682-Y723 AromaticContact CD1-CZ 3.94Å; F682-Y723 HydrophobicContact CE1-CD2 4.39Å; F682-Y723 AromaticContact CE1-CE2 3.66Å; F682-Y723 HydrophobicContact CE1-CE2 3.66Å; F682-Y723 AromaticContact CG-CD2 3.99Å; F682-Y723 HydrophobicContact CG-CD2 3.99Å; F682-Y723 HydrophobicContact CG-CE2 4.06Å; F682-Y723 HydrophobicContact CZ-CE2 4.44Å; F682-I724 PolarHBondContact O-N 3.04Å
683	Y	97.9	Very high	86.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.3	174	-67.5	-74.5	0	0	0	111.4	T610 I611 G612 F613 V681 I724 V726 Y776 T794 M797 P811 V813 C814	T610-Y683 HydrophobicContact CG2-CD2 3.74Å; T610-Y683 HydrophobicContact CG2-CE2 3.66Å; I611-Y683 PolarHBondContact O-N 3.11Å; G612-Y683 WeakPolarHBondContact CA-O 3.41Å; F613-Y683 PolarHBondContact N-O 2.76Å; F613-Y683 VanDerWaalsContact N-O 3.08Å; V681-Y683 HydrophobicContact CG1-CD2 4.09Å; V681-Y683 HydrophobicContact CG1-CE1 4.44Å; V681-Y683 HydrophobicContact CG1-CE2 3.56Å; Y683-I724 WeakPolarHBondContact CA-O 3.45Å; Y683-I724 HydrophobicContact CD1-CB 3.9Å; Y683-I724 HydrophobicContact CD1-CD1 4.21Å; Y683-I724 HydrophobicContact CD1-CG2 4.11Å; Y683-I724 HydrophobicContact CE1-CB 4.13Å; Y683-I724 HydrophobicContact CE1-CD1 3.62Å; Y683-I724 HydrophobicContact CE1-CG1 4.44Å; Y683-I724 HydrophobicContact CE1-CG2 4.16Å; Y683-V726 HydrophobicContact CD1-CG2 3.66Å; Y683-V726 HydrophobicContact CG-CG2 4.25Å; Y683-Y776 HydrophobicContact CD1-CD1 4.49Å; Y683-Y776 HydrophobicContact CE1-CD1 4.24Å; Y683-Y776 HydrophobicContact CE1-CE1 4.32Å; Y683-T794 HydrophobicContact CE1-CG2 3.99Å; Y683-T794 VanDerWaalsContact OH-CA 3.25Å; Y683-T794 WeakPolarHBondContact OH-CA 3.47Å; Y683-T794 WeakPolarHBondContact OH-CB 3.46Å; Y683-T794 PolarHBondContact OH-OG1 3.09Å; Y683-M797 HydrophobicContact CE2-CG 4.37Å; Y683-P811 HydrophobicContact CD1-CG 3.91Å; Y683-P811 HydrophobicContact CD2-CB 4Å; Y683-P811 HydrophobicContact CD2-CG 4.08Å; Y683-P811 HydrophobicContact CE1-CG 3.88Å; Y683-P811 HydrophobicContact CE2-CB 4.08Å; Y683-P811 HydrophobicContact CE2-CG 4.06Å; Y683-P811 HydrophobicContact CG-CB 4.31Å; Y683-P811 HydrophobicContact CG-CG 4.01Å; Y683-V813 HydrophobicContact CD2-CG2 4Å; Y683-C814 WeakPolarHBondContact CB-SG 3.32Å
684	R	93.6	Very high	86.3	Confident	10 Å²	10	49 Å²	49	4%	0.038	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	106	-179.7	-177.2	67.8	170.6	90.9	-4.5	110.9	F682 V687 L695 E699 Y723 I724 V725 V726	F682-R684 HydrophobicContact CD1-CB 4.32Å; F682-R684 HydrophobicContact CE1-CB 4.07Å; R684-V687 HydrophobicContact CG-CG2 3.63Å; R684-L695 HydrophobicContact CG-CD2 4.4Å; R684-E699 IonicContact CZ-OE1 3.48Å; R684-E699 IonicContact NE-OE1 3.91Å; R684-E699 PolarHBondContact NE-OE1 3.03Å; R684-E699 IonicContact NE-OE2 2.86Å; R684-E699 PolarHBondContact NE-OE2 3.34Å; R684-E699 IonicContact NH2-OE1 2.7Å; R684-E699 PolarHBondContact NH2-OE1 3.28Å; R684-Y723 HydrophobicContact CB-CE1 3.97Å; R684-Y723 WeakPolarHBondContact CD-OH 3.17Å; R684-Y723 HydrophobicContact CG-CE1 4.41Å; R684-Y723 VanDerWaalsContact CG-OH 3.3Å; R684-Y723 WeakPolarHBondContact CG-OH 3.33Å; R684-I724 PolarHBondContact N-O 3.33Å; R684-V725 HydrophobicContact CB-CG2 4.38Å; R684-V726 PolarHBondContact O-N 3.23Å
685	D	86.9	Confident	85.9	Confident	7 Å²	7	39.7 Å²	39.7	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	157.4	173.9	-163.5	-4.9	0	0	0	110.3	F613 D614 R728 C814	F613-D685 PolarHBondContact O-N 3.29Å; F613-D685 VanDerWaalsContact O-N 3.12Å; D614-D685 HydrophobicContact CB-CB 4.45Å; D685-R728 IonicContact OD1-NE 2.83Å; D685-R728 IonicContact OD2-CZ 2.67Å; D685-R728 IonicContact OD2-NE 2.64Å; D685-R728 PolarHBondContact OD2-NE 3.43Å; D685-R728 IonicContact OD2-NH2 2.97Å; D685-R728 PolarHBondContact OD2-NH2 2.83Å; D685-C814 HydrophobicContact CB-CB 4.31Å
686	G	71.9	Confident	85.5	Confident	56 Å²	56	36.6 Å²	36.6	58%	0.577	23%	0.228	S	C	*	.	S	Bend	trans	85.9	14.5	166.3	0	0	0	0	0	117.2
687	V	75.5	Confident	84.9	Confident	17 Å²	17	39.8 Å²	39.8	10%	0.103	24%	0.243	C	C	.	.			trans	-93.3	133.2	180	-177.5	0	0	0	0	111.6	R684 L692 L695 V725	R684-V687 HydrophobicContact CG-CG2 3.63Å; V687-L692 HydrophobicContact CG1-CD2 4.16Å; V687-L695 HydrophobicContact CG1-CD1 4.42Å; V687-L695 HydrophobicContact CG1-CD2 4.21Å; V687-L695 HydrophobicContact CG2-CD1 3.91Å; V687-L695 HydrophobicContact CG2-CD2 4.08Å; V687-V725 HydrophobicContact CB-CG1 4.1Å
688	S	68	Low	84.3	Confident	70 Å²	70	45.2 Å²	45.2	49%	0.49	27%	0.267	S	S	.	.			trans	-77.3	145.1	172.6	92.2	0	0	0	0	111	G690 S691	S688-G690 PolarHBondContact O-N 2.85Å; S688-G690 VanDerWaalsContact O-N 3.1Å; S688-S691 PolarHBondContact O-N 3.07Å; S688-S691 PolarHBondContact OG-OG 3.13Å; S688-S691 VanDerWaalsContact OG-OG 3.1Å
689	T	65.9	Low	84	Confident	84 Å²	84	41.9 Å²	41.9	52%	0.515	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-59.4	-26.4	-179.3	51.8	0	0	0	0	113.7	S691	T689-S691 VanDerWaalsContact C-N 3.26Å; T689-S691 PolarHBondContact O-N 3.28Å
690	G	65.9	Low	83.7	Confident	72 Å²	72	38.5 Å²	38.5	74%	0.742	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-75.9	-10.4	178.9	0	0	0	0	0	114.3	S688	S688-G690 PolarHBondContact O-N 2.85Å; S688-G690 VanDerWaalsContact O-N 3.1Å
691	S	74.1	Confident	83.4	Confident	43 Å²	43	42.7 Å²	42.7	30%	0.301	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-107.1	4.8	-177	-51.3	0	0	0	0	113.3	S688 T689 K693 Q694 L695	S688-S691 PolarHBondContact O-N 3.07Å; S688-S691 PolarHBondContact OG-OG 3.13Å; S688-S691 VanDerWaalsContact OG-OG 3.1Å; T689-S691 VanDerWaalsContact C-N 3.26Å; T689-S691 PolarHBondContact O-N 3.28Å; S691-K693 PolarHBondContact O-N 3.4Å; S691-Q694 PolarHBondContact O-N 3.01Å; S691-L695 WeakPolarHBondContact O-CB 3.38Å; S691-L695 PolarHBondContact O-N 3.12Å
692	L	81.1	Confident	83.1	Confident	11 Å²	11	44.9 Å²	44.9	6%	0.058	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-40.7	-172.8	-72.8	176.7	0	0	0	113.6	V687 L695 F696 V725 L779	V687-L692 HydrophobicContact CG1-CD2 4.16Å; L692-L695 WeakPolarHBondContact O-CB 3.5Å; L692-L695 PolarHBondContact O-N 3.1Å; L692-F696 WeakPolarHBondContact O-CB 3.45Å; L692-F696 PolarHBondContact O-N 2.8Å; L692-V725 HydrophobicContact CD2-CB 4.5Å; L692-V725 HydrophobicContact CD2-CG1 4.24Å; L692-V725 HydrophobicContact CD2-CG2 4.13Å; L692-L779 HydrophobicContact CD2-CD2 4.42Å
693	K	82.3	Confident	82.9	Confident	92 Å²	92	45 Å²	45	40%	0.4	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-48.1	178.3	179.9	172.6	173.6	178.9	0	111.4	D77 S691 L695 F696 E697	D77-K693 HydrophobicContact CB-CD 3.7Å; D77-K693 IonicContact OD2-NZ 2.87Å; D77-K693 PolarHBondContact OD2-NZ 3.48Å; S691-K693 PolarHBondContact O-N 3.4Å; K693-L695 VanDerWaalsContact C-N 3.34Å; K693-L695 PolarHBondContact O-N 2.85Å; K693-F696 PolarHBondContact O-N 3.27Å; K693-E697 WeakPolarHBondContact O-CB 3.39Å; K693-E697 WeakPolarHBondContact O-CG 3.34Å; K693-E697 PolarHBondContact O-N 3.46Å
694	Q	81.3	Confident	82.7	Confident	105 Å²	105	46.3 Å²	46.3	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-44.3	175.7	-69.4	174.8	-16.5	0	0	111.1	L654 S691 F696 E697 F698	L654-Q694 HydrophobicContact CD1-CB 4.46Å; S691-Q694 PolarHBondContact O-N 3.01Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; Q694-F696 PolarHBondContact O-N 3.04Å; Q694-E697 PolarHBondContact O-N 2.86Å; Q694-F698 HydrophobicContact CB-CD2 4.23Å; Q694-F698 HydrophobicContact CB-CE2 4.5Å; Q694-F698 WeakPolarHBondContact O-CB 3.49Å; Q694-F698 WeakPolarHBondContact O-CD2 3.13Å; Q694-F698 PolarHBondContact O-N 3.35Å
695	L	84.6	Confident	82.8	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-58	-45.2	176.2	-170	90.4	0	0	0	111.8	R684 V687 S691 L692 K693 E699 V700 Y723 V725 L779	R684-L695 HydrophobicContact CG-CD2 4.4Å; V687-L695 HydrophobicContact CG1-CD1 4.42Å; V687-L695 HydrophobicContact CG1-CD2 4.21Å; V687-L695 HydrophobicContact CG2-CD1 3.91Å; V687-L695 HydrophobicContact CG2-CD2 4.08Å; S691-L695 WeakPolarHBondContact O-CB 3.38Å; S691-L695 PolarHBondContact O-N 3.12Å; L692-L695 WeakPolarHBondContact O-CB 3.5Å; L692-L695 PolarHBondContact O-N 3.1Å; K693-L695 VanDerWaalsContact C-N 3.34Å; K693-L695 PolarHBondContact O-N 2.85Å; L695-E699 HydrophobicContact CD1-CG 4Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.46Å; L695-E699 HydrophobicContact CG-CB 4.48Å; L695-E699 HydrophobicContact CG-CG 4.39Å; L695-E699 WeakPolarHBondContact O-CA 3.3Å; L695-E699 VanDerWaalsContact O-CB 3.27Å; L695-E699 WeakPolarHBondContact O-CB 3.31Å; L695-E699 PolarHBondContact O-N 3.49Å; L695-V700 PolarHBondContact O-N 3.48Å; L695-Y723 HydrophobicContact CD2-CE1 3.98Å; L695-V725 HydrophobicContact CD2-CG2 3.64Å; L695-L779 HydrophobicContact CD2-CD1 3.82Å
696	F	86.1	Confident	83.2	Confident	38 Å²	38	53 Å²	53	17%	0.167	30%	0.298	C	S	.	.	I	π-helix	trans	-64.3	-48	179.1	-177.2	-94.2	0	0	0	112	L79 L692 K693 Q694 V700 K701 L779	L79-F696 HydrophobicContact CD1-CB 4.38Å; L79-F696 HydrophobicContact CD1-CD1 3.89Å; L79-F696 HydrophobicContact CD1-CE1 4.33Å; L79-F696 HydrophobicContact CD1-CG 4.08Å; L79-F696 HydrophobicContact CD2-CB 3.38Å; L79-F696 HydrophobicContact CD2-CD1 4.23Å; L79-F696 HydrophobicContact CD2-CD2 3.82Å; L79-F696 HydrophobicContact CD2-CG 3.56Å; L79-F696 HydrophobicContact CG-CG 4.45Å; L692-F696 WeakPolarHBondContact O-CB 3.45Å; L692-F696 PolarHBondContact O-N 2.8Å; K693-F696 PolarHBondContact O-N 3.27Å; Q694-F696 VanDerWaalsContact C-N 3.33Å; Q694-F696 PolarHBondContact O-N 3.04Å; F696-V700 HydrophobicContact CD2-CB 3.99Å; F696-V700 HydrophobicContact CD2-CG1 4.14Å; F696-V700 HydrophobicContact CD2-CG2 4.03Å; F696-V700 HydrophobicContact CE2-CB 4.38Å; F696-V700 HydrophobicContact CE2-CG1 4.06Å; F696-V700 HydrophobicContact CG-CB 4.46Å; F696-V700 WeakPolarHBondContact O-CB 3.49Å; F696-V700 PolarHBondContact O-N 3.27Å; F696-K701 PolarHBondContact O-N 3.23Å; F696-L779 HydrophobicContact CD2-CB 4.13Å; F696-L779 WeakPolarHBondContact CE2-O 3.48Å
697	E	84.3	Confident	84.4	Confident	78 Å²	78	50.6 Å²	50.6	36%	0.364	27%	0.272	S	S	.	.	I	π-helix	trans	-64.4	-41.7	-179.1	-71.2	-62.9	140.8	0	0	112.6	K693 Q694 K701	K693-E697 WeakPolarHBondContact O-CB 3.39Å; K693-E697 WeakPolarHBondContact O-CG 3.34Å; K693-E697 PolarHBondContact O-N 3.46Å; Q694-E697 PolarHBondContact O-N 2.86Å; E697-K701 VanDerWaalsContact OE1-CE 3.3Å; E697-K701 WeakPolarHBondContact OE1-CE 3.3Å; E697-K701 IonicContact OE1-NZ 2.74Å; E697-K701 PolarHBondContact OE1-NZ 2.77Å; E697-K701 VanDerWaalsContact OE2-CE 3.29Å; E697-K701 WeakPolarHBondContact OE2-CE 3.37Å; E697-K701 IonicContact OE2-NZ 2.64Å; E697-K701 PolarHBondContact OE2-NZ 3.49Å
698	F	84.4	Confident	85.4	Confident	115 Å²	115	53.9 Å²	53.9	50%	0.504	29%	0.285	S	S	.	.	I	π-helix	trans	-95.8	-35.5	-173.9	-67.2	-68.9	0	0	0	114.6	L654 A655 Q694 D702	L654-F698 HydrophobicContact CD1-CD2 4.17Å; A655-F698 HydrophobicContact CB-CB 4.14Å; A655-F698 WeakPolarHBondContact CB-O 3.41Å; Q694-F698 HydrophobicContact CB-CD2 4.23Å; Q694-F698 HydrophobicContact CB-CE2 4.5Å; Q694-F698 WeakPolarHBondContact O-CB 3.49Å; Q694-F698 WeakPolarHBondContact O-CD2 3.13Å; Q694-F698 PolarHBondContact O-N 3.35Å; F698-D702 WeakPolarHBondContact O-CB 3.21Å
699	E	88.7	Confident	86.7	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.283	C	S	.	.	I	π-helix	trans	-93.3	-52.4	179.2	-62.9	-169.9	-166.5	0	0	111.6	A655 L658 R684 L695 I703 Y723	A655-E699 HydrophobicContact CB-CG 3.98Å; L658-E699 HydrophobicContact CD2-CG 4.45Å; R684-E699 IonicContact CZ-OE1 3.48Å; R684-E699 IonicContact NE-OE1 3.91Å; R684-E699 PolarHBondContact NE-OE1 3.03Å; R684-E699 IonicContact NE-OE2 2.86Å; R684-E699 PolarHBondContact NE-OE2 3.34Å; R684-E699 IonicContact NH2-OE1 2.7Å; R684-E699 PolarHBondContact NH2-OE1 3.28Å; L695-E699 HydrophobicContact CD1-CG 4Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.46Å; L695-E699 HydrophobicContact CG-CB 4.48Å; L695-E699 HydrophobicContact CG-CG 4.39Å; L695-E699 WeakPolarHBondContact O-CA 3.3Å; L695-E699 VanDerWaalsContact O-CB 3.27Å; L695-E699 WeakPolarHBondContact O-CB 3.31Å; L695-E699 PolarHBondContact O-N 3.49Å; E699-I703 WeakPolarHBondContact O-CB 3.4Å; E699-I703 WeakPolarHBondContact O-CD1 3.33Å; E699-I703 WeakPolarHBondContact O-CG1 3.44Å; E699-I703 PolarHBondContact O-N 3.02Å; E699-Y723 PolarHBondContact OE2-OH 2.9Å
700	V	91.1	Very high	88.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.265	C	S	.	.	I	π-helix	trans	-69	-48.7	-169.8	-178.4	0	0	0	0	111.4	L695 F696 D702 I703 I704 Y723 L779 Y780	L695-V700 PolarHBondContact O-N 3.48Å; F696-V700 HydrophobicContact CD2-CB 3.99Å; F696-V700 HydrophobicContact CD2-CG1 4.14Å; F696-V700 HydrophobicContact CD2-CG2 4.03Å; F696-V700 HydrophobicContact CE2-CB 4.38Å; F696-V700 HydrophobicContact CE2-CG1 4.06Å; F696-V700 HydrophobicContact CG-CB 4.46Å; F696-V700 WeakPolarHBondContact O-CB 3.49Å; F696-V700 PolarHBondContact O-N 3.27Å; V700-D702 VanDerWaalsContact C-N 3.35Å; V700-D702 PolarHBondContact O-N 3.48Å; V700-I703 PolarHBondContact O-N 3.12Å; V700-I704 HydrophobicContact CG1-CD1 3.93Å; V700-I704 VanDerWaalsContact O-CG1 3.32Å; V700-I704 WeakPolarHBondContact O-CG1 3.14Å; V700-I704 PolarHBondContact O-N 2.83Å; V700-Y723 HydrophobicContact CG2-CD1 3.74Å; V700-Y723 HydrophobicContact CG2-CD2 3.97Å; V700-Y723 HydrophobicContact CG2-CE1 3.93Å; V700-Y723 HydrophobicContact CG2-CE2 4.12Å; V700-Y723 HydrophobicContact CG2-CG 3.78Å; V700-L779 HydrophobicContact CG2-CD1 4.32Å; V700-Y780 HydrophobicContact CG1-CG 4.24Å
701	K	91.2	Very high	89.6	Confident	92 Å²	92	48.3 Å²	48.3	40%	0.4	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-44	178	-68	-173.7	178.3	177.1	0	111.9	F696 E697 I703 I704 E705	F696-K701 PolarHBondContact O-N 3.23Å; E697-K701 VanDerWaalsContact OE1-CE 3.3Å; E697-K701 WeakPolarHBondContact OE1-CE 3.3Å; E697-K701 IonicContact OE1-NZ 2.74Å; E697-K701 PolarHBondContact OE1-NZ 2.77Å; E697-K701 VanDerWaalsContact OE2-CE 3.29Å; E697-K701 WeakPolarHBondContact OE2-CE 3.37Å; E697-K701 IonicContact OE2-NZ 2.64Å; E697-K701 PolarHBondContact OE2-NZ 3.49Å; K701-I703 PolarHBondContact O-N 3.37Å; K701-I704 PolarHBondContact O-N 2.81Å; K701-E705 PolarHBondContact O-N 2.83Å
702	D	91.6	Very high	90.6	Very high	45 Å²	45	49.1 Å²	49.1	24%	0.241	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-44.3	178.4	-174.5	58.3	0	0	0	112	F698 V700 I704 E705 K706	F698-D702 WeakPolarHBondContact O-CB 3.21Å; V700-D702 VanDerWaalsContact C-N 3.35Å; V700-D702 PolarHBondContact O-N 3.48Å; D702-I704 VanDerWaalsContact C-N 3.35Å; D702-I704 PolarHBondContact O-N 3.14Å; D702-E705 PolarHBondContact O-N 2.92Å; D702-K706 VanDerWaalsContact O-CB 3.3Å; D702-K706 WeakPolarHBondContact O-CB 3.36Å; D702-K706 VanDerWaalsContact O-CG 3.25Å; D702-K706 WeakPolarHBondContact O-CG 3.48Å; D702-K706 PolarHBondContact O-N 3.19Å; D702-K706 WeakPolarHBondContact OD1-CD 3.46Å; D702-K706 WeakPolarHBondContact OD1-CE 3.22Å; D702-K706 IonicContact OD1-NZ 2.96Å; D702-K706 PolarHBondContact OD1-NZ 3.07Å; D702-K706 WeakPolarHBondContact OD2-CE 3.39Å; D702-K706 IonicContact OD2-NZ 3.25Å; D702-K706 PolarHBondContact OD2-NZ 2.66Å
703	I	93.9	Very high	91.2	Very high	4 Å²	4	56 Å²	56	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-43.5	175.5	-71.5	167.1	0	0	0	111	L658 I662 E699 V700 K701 L707 L721 Y723	L658-I703 HydrophobicContact CD2-CD1 3.95Å; I662-I703 HydrophobicContact CD1-CD1 3.89Å; I662-I703 HydrophobicContact CD1-CG1 3.86Å; E699-I703 WeakPolarHBondContact O-CB 3.4Å; E699-I703 WeakPolarHBondContact O-CD1 3.33Å; E699-I703 WeakPolarHBondContact O-CG1 3.44Å; E699-I703 PolarHBondContact O-N 3.02Å; V700-I703 PolarHBondContact O-N 3.12Å; K701-I703 PolarHBondContact O-N 3.37Å; I703-L707 HydrophobicContact CG2-CD1 3.66Å; I703-L707 HydrophobicContact CG2-CG 4.12Å; I703-L707 VanDerWaalsContact O-CB 3.23Å; I703-L707 WeakPolarHBondContact O-CB 3.47Å; I703-L707 WeakPolarHBondContact O-CG 3.26Å; I703-L707 PolarHBondContact O-N 2.72Å; I703-L721 HydrophobicContact CG2-CD2 4.07Å; I703-Y723 HydrophobicContact CD1-CD2 4.24Å; I703-Y723 HydrophobicContact CD1-CE2 3.85Å
704	I	95.3	Very high	91.8	Very high	29 Å²	29	54.6 Å²	54.6	15%	0.149	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-50.4	179.6	-70	166.3	0	0	0	110.7	V700 K701 D702 K706 L707 K708 L721 Y780	V700-I704 HydrophobicContact CG1-CD1 3.93Å; V700-I704 VanDerWaalsContact O-CG1 3.32Å; V700-I704 WeakPolarHBondContact O-CG1 3.14Å; V700-I704 PolarHBondContact O-N 2.83Å; K701-I704 PolarHBondContact O-N 2.81Å; D702-I704 VanDerWaalsContact C-N 3.35Å; D702-I704 PolarHBondContact O-N 3.14Å; I704-K706 PolarHBondContact O-N 2.71Å; I704-L707 PolarHBondContact O-N 2.9Å; I704-K708 WeakPolarHBondContact O-CG 3.48Å; I704-K708 PolarHBondContact O-N 3.19Å; I704-L721 HydrophobicContact CG1-CD2 3.92Å; I704-Y780 HydrophobicContact CD1-CD1 4.07Å; I704-Y780 HydrophobicContact CD1-CD2 3.84Å; I704-Y780 HydrophobicContact CD1-CE1 3.94Å; I704-Y780 HydrophobicContact CD1-CE2 3.69Å; I704-Y780 HydrophobicContact CD1-CG 4.02Å; I704-Y780 HydrophobicContact CG1-CE1 4.3Å
705	E	94.8	Very high	92.4	Very high	100 Å²	100	58.4 Å²	58.4	47%	0.467	28%	0.282	S	S	.	.	H	α-helix	trans	-65.6	-40.9	-178.3	-69.1	-50.4	124.4	0	0	112.5	K701 D702 K708 T709	K701-E705 PolarHBondContact O-N 2.83Å; D702-E705 PolarHBondContact O-N 2.92Å; E705-K708 WeakPolarHBondContact O-CB 3.4Å; E705-K708 PolarHBondContact O-N 3.46Å; E705-K708 IonicContact OE1-NZ 3.7Å; E705-K708 PolarHBondContact OE1-NZ 2.96Å; E705-K708 IonicContact OE2-NZ 3.6Å; E705-T709 PolarHBondContact O-N 2.67Å; E705-T709 PolarHBondContact O-OG1 3.35Å
706	K	95.3	Very high	92.9	Very high	56 Å²	56	62.6 Å²	62.6	24%	0.243	30%	0.304	C	S	.	.	H	α-helix	trans	-73.3	-31.3	178.9	-65.8	-177.7	174.6	156.8	0	112.6	W659 D702 I704 T709 E710	W659-K706 HydrophobicContact CB-CD 3.86Å; W659-K706 HydrophobicContact CD2-CB 3.58Å; W659-K706 HydrophobicContact CD2-CD 3.32Å; W659-K706 HydrophobicContact CD2-CG 4.09Å; W659-K706 HydrophobicContact CE3-CB 3.5Å; W659-K706 VanDerWaalsContact CE3-CB 3.5Å; W659-K706 HydrophobicContact CE3-CD 3.82Å; W659-K706 HydrophobicContact CE3-CG 4.33Å; W659-K706 HydrophobicContact CG-CB 4.44Å; W659-K706 HydrophobicContact CG-CD 3.28Å; W659-K706 HydrophobicContact CG-CG 4.47Å; W659-K706 HydrophobicContact CH2-CB 3.37Å; W659-K706 VanDerWaalsContact CH2-O 3.27Å; W659-K706 WeakPolarHBondContact CH2-O 3.44Å; W659-K706 HydrophobicContact CZ2-CB 3.44Å; W659-K706 VanDerWaalsContact CZ2-CB 3.44Å; W659-K706 HydrophobicContact CZ2-CD 4.47Å; W659-K706 HydrophobicContact CZ2-CG 4.48Å; W659-K706 HydrophobicContact CZ3-CB 3.39Å; D702-K706 VanDerWaalsContact O-CB 3.3Å; D702-K706 WeakPolarHBondContact O-CB 3.36Å; D702-K706 VanDerWaalsContact O-CG 3.25Å; D702-K706 WeakPolarHBondContact O-CG 3.48Å; D702-K706 PolarHBondContact O-N 3.19Å; D702-K706 WeakPolarHBondContact OD1-CD 3.46Å; D702-K706 WeakPolarHBondContact OD1-CE 3.22Å; D702-K706 IonicContact OD1-NZ 2.96Å; D702-K706 PolarHBondContact OD1-NZ 3.07Å; D702-K706 WeakPolarHBondContact OD2-CE 3.39Å; D702-K706 IonicContact OD2-NZ 3.25Å; D702-K706 PolarHBondContact OD2-NZ 2.66Å; I704-K706 PolarHBondContact O-N 2.71Å; K706-T709 WeakPolarHBondContact O-CB 3.37Å; K706-T709 PolarHBondContact O-N 3.47Å; K706-E710 PolarHBondContact O-N 3.15Å
707	L	96.8	Very high	93.3	Very high	6 Å²	6	65.3 Å²	65.3	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-43.7	169.8	-77.7	174.1	0	0	0	111.5	W659 L666 I680 I703 I704 T709 E710 Y711 P719 L721	W659-L707 HydrophobicContact CH2-CD2 4.32Å; W659-L707 HydrophobicContact CH2-CG 4.44Å; W659-L707 HydrophobicContact CZ3-CD2 4.31Å; W659-L707 HydrophobicContact CZ3-CG 4.19Å; L666-L707 HydrophobicContact CD1-CD2 3.75Å; I680-L707 HydrophobicContact CD1-CD1 4.3Å; I680-L707 HydrophobicContact CD1-CD2 3.89Å; I703-L707 HydrophobicContact CG2-CD1 3.66Å; I703-L707 HydrophobicContact CG2-CG 4.12Å; I703-L707 VanDerWaalsContact O-CB 3.23Å; I703-L707 WeakPolarHBondContact O-CB 3.47Å; I703-L707 WeakPolarHBondContact O-CG 3.26Å; I703-L707 PolarHBondContact O-N 2.72Å; I704-L707 PolarHBondContact O-N 2.9Å; L707-T709 PolarHBondContact O-N 3.22Å; L707-E710 PolarHBondContact O-N 2.87Å; L707-Y711 HydrophobicContact CD2-CD2 4.48Å; L707-Y711 HydrophobicContact CD2-CE2 3.93Å; L707-Y711 WeakPolarHBondContact O-CD2 3.42Å; L707-Y711 PolarHBondContact O-N 2.91Å; L707-P719 HydrophobicContact CD1-CG 4.15Å; L707-P719 HydrophobicContact CD2-CG 4.25Å; L707-L721 HydrophobicContact CD1-CD1 4.45Å; L707-L721 HydrophobicContact CD1-CD2 4.13Å
708	K	96.3	Very high	93.8	Very high	87 Å²	87	64.9 Å²	64.9	38%	0.378	33%	0.332	S	S	.	.	H	α-helix	trans	-54.6	-45.6	172.4	-70.3	171.5	-177	170.9	0	110.8	I704 E705 A712 P718	I704-K708 WeakPolarHBondContact O-CG 3.48Å; I704-K708 PolarHBondContact O-N 3.19Å; E705-K708 WeakPolarHBondContact O-CB 3.4Å; E705-K708 PolarHBondContact O-N 3.46Å; E705-K708 IonicContact OE1-NZ 3.7Å; E705-K708 PolarHBondContact OE1-NZ 2.96Å; E705-K708 IonicContact OE2-NZ 3.6Å; K708-A712 WeakPolarHBondContact O-CB 3.3Å; K708-A712 PolarHBondContact O-N 2.89Å; K708-P718 HydrophobicContact CG-CB 3.97Å; K708-P718 HydrophobicContact CG-CG 4.15Å
709	T	96.3	Very high	94.4	Very high	74 Å²	74	60.1 Å²	60.1	45%	0.454	31%	0.312	S	S	.	.	H	α-helix	trans	-63	-47.9	179.9	-55.5	0	0	0	0	112.5	E705 K706 L707 Y711 A712 R713	E705-T709 PolarHBondContact O-N 2.67Å; E705-T709 PolarHBondContact O-OG1 3.35Å; K706-T709 WeakPolarHBondContact O-CB 3.37Å; K706-T709 PolarHBondContact O-N 3.47Å; L707-T709 PolarHBondContact O-N 3.22Å; T709-Y711 PolarHBondContact O-N 3.14Å; T709-A712 PolarHBondContact O-N 3.45Å; T709-R713 WeakPolarHBondContact O-CG 3.49Å; T709-R713 PolarHBondContact O-N 3.27Å
710	E	95.1	Very high	94.8	Very high	28 Å²	28	63.2 Å²	63.2	13%	0.131	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-36.7	179.9	-70.9	-68.6	170.7	0	0	113	W659 K706 L707 R713	W659-E710 HydrophobicContact CH2-CG 3.71Å; W659-E710 HydrophobicContact CZ2-CG 3.33Å; K706-E710 PolarHBondContact O-N 3.15Å; L707-E710 PolarHBondContact O-N 2.87Å; E710-R713 WeakPolarHBondContact O-CB 3.48Å; E710-R713 PolarHBondContact O-N 3.37Å; E710-R713 IonicContact OE1-CZ 3.53Å; E710-R713 IonicContact OE1-NH1 2.71Å; E710-R713 PolarHBondContact OE1-NH1 3.26Å; E710-R713 IonicContact OE2-CZ 3.07Å; E710-R713 IonicContact OE2-NH1 2.66Å; E710-R713 PolarHBondContact OE2-NH1 3.36Å
711	Y	96.6	Very high	95.1	Very high	6 Å²	6	63.4 Å²	63.4	2%	0.024	33%	0.328	C	S	.	.	H	α-helix	trans	-74.5	-35.1	179.2	-79.3	-114.5	0	0	0	111	L666 L676 P677 L707 T709 R713 V714 Q715 L716 S717 P719	L666-Y711 HydrophobicContact CD1-CE2 4.43Å; L666-Y711 HydrophobicContact CD2-CE2 4.44Å; L676-Y711 HydrophobicContact CB-CD1 4.41Å; L676-Y711 HydrophobicContact CB-CE1 3.71Å; L676-Y711 HydrophobicContact CD1-CD1 4.04Å; L676-Y711 HydrophobicContact CD1-CD2 4.15Å; L676-Y711 HydrophobicContact CD1-CE1 4.06Å; L676-Y711 HydrophobicContact CD1-CE2 4.18Å; L676-Y711 HydrophobicContact CD1-CG 4.09Å; P677-Y711 WeakPolarHBondContact CD-OH 3.27Å; P677-Y711 WeakPolarHBondContact CG-OH 3.09Å; P677-Y711 PolarHBondContact O-OH 3.38Å; L707-Y711 HydrophobicContact CD2-CD2 4.48Å; L707-Y711 HydrophobicContact CD2-CE2 3.93Å; L707-Y711 WeakPolarHBondContact O-CD2 3.42Å; L707-Y711 PolarHBondContact O-N 2.91Å; T709-Y711 PolarHBondContact O-N 3.14Å; Y711-R713 VanDerWaalsContact C-N 3.28Å; Y711-R713 PolarHBondContact O-N 3.32Å; Y711-V714 CarbonylContact O-C 3.46Å; Y711-V714 PolarHBondContact O-N 2.89Å; Y711-Q715 PolarHBondContact O-N 2.86Å; Y711-L716 CarbonylContact C-O 3.55Å; Y711-L716 HydrophobicContact CD1-CB 4.18Å; Y711-L716 PolarHBondContact O-N 3.44Å; Y711-S717 VanDerWaalsContact CD1-O 3.28Å; Y711-S717 WeakPolarHBondContact CD1-O 3.16Å; Y711-P719 HydrophobicContact CD2-CG 4.29Å; Y711-P719 HydrophobicContact CE1-CB 3.77Å; Y711-P719 HydrophobicContact CE1-CG 3.93Å; Y711-P719 HydrophobicContact CE2-CB 4.38Å; Y711-P719 HydrophobicContact CE2-CG 3.67Å; Y711-P719 VanDerWaalsContact CZ-CG 3.46Å
712	A	96.3	Very high	95.3	Very high	61 Å²	61	59 Å²	59	50%	0.504	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-32.5	172.4	0	0	0	0	0	112.9	K708 T709 V714 Q715	K708-A712 WeakPolarHBondContact O-CB 3.3Å; K708-A712 PolarHBondContact O-N 2.89Å; T709-A712 PolarHBondContact O-N 3.45Å; A712-V714 PolarHBondContact O-N 2.91Å; A712-Q715 PolarHBondContact O-N 3Å
713	R	94.1	Very high	95.6	Very high	156 Å²	156	56.9 Å²	56.9	59%	0.589	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25.8	173.1	-72.3	176.6	-179.9	161.6	2.7	113.3	T709 E710 Y711	T709-R713 WeakPolarHBondContact O-CG 3.49Å; T709-R713 PolarHBondContact O-N 3.27Å; E710-R713 WeakPolarHBondContact O-CB 3.48Å; E710-R713 PolarHBondContact O-N 3.37Å; E710-R713 IonicContact OE1-CZ 3.53Å; E710-R713 IonicContact OE1-NH1 2.71Å; E710-R713 PolarHBondContact OE1-NH1 3.26Å; E710-R713 IonicContact OE2-CZ 3.07Å; E710-R713 IonicContact OE2-NH1 2.66Å; E710-R713 PolarHBondContact OE2-NH1 3.36Å; Y711-R713 VanDerWaalsContact C-N 3.28Å; Y711-R713 PolarHBondContact O-N 3.32Å
714	V	94	Very high	95.7	Very high	61 Å²	61	56.7 Å²	56.7	37%	0.37	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	16.1	176.5	-157.8	0	0	0	0	110.7	L676 Y711 A712 L716	L676-V714 HydrophobicContact CD1-CB 4.41Å; L676-V714 HydrophobicContact CD1-CG2 3.94Å; Y711-V714 CarbonylContact O-C 3.46Å; Y711-V714 PolarHBondContact O-N 2.89Å; A712-V714 PolarHBondContact O-N 2.91Å; V714-L716 PolarHBondContact O-N 3.43Å
715	Q	94.7	Very high	95.7	Very high	186 Å²	186	55.4 Å²	55.4	87%	0.869	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	33.6	179.6	-59.1	174.3	-11.1	0	0	114	Y711 A712	Y711-Q715 PolarHBondContact O-N 2.86Å; A712-Q715 PolarHBondContact O-N 3Å
716	L	94.8	Very high	95.7	Very high	91 Å²	91	50.6 Å²	50.6	48%	0.476	27%	0.268	S	S	.	.			trans	-109.7	152.5	176.7	-70.4	175.3	0	0	0	111.6	Y711 V714	Y711-L716 CarbonylContact C-O 3.55Å; Y711-L716 HydrophobicContact CD1-CB 4.18Å; Y711-L716 PolarHBondContact O-N 3.44Å; V714-L716 PolarHBondContact O-N 3.43Å
717	S	94.4	Very high	95.5	Very high	96 Å²	96	49.9 Å²	49.9	67%	0.671	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-64.3	151.3	166.7	57.9	0	0	0	0	110.9	Y711	Y711-S717 VanDerWaalsContact CD1-O 3.28Å; Y711-S717 WeakPolarHBondContact CD1-O 3.16Å
718	P	94.7	Very high	94.9	Very high	69 Å²	69	53 Å²	53	45%	0.448	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-57.5	149.8	176.1	25.4	-35	0	0	0	111.7	K708	K708-P718 HydrophobicContact CG-CB 3.97Å; K708-P718 HydrophobicContact CG-CG 4.15Å
719	P	96.7	Very high	93.9	Very high	14 Å²	14	49.7 Å²	49.7	9%	0.091	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73.3	161.6	-178.1	33.3	-36	0	0	0	111	I680 L707 Y711 L721	I680-P719 HydrophobicContact CD1-CB 4.33Å; I680-P719 HydrophobicContact CD1-CG 3.83Å; I680-P719 HydrophobicContact CG1-CB 4.35Å; I680-P719 HydrophobicContact CG1-CG 4.33Å; L707-P719 HydrophobicContact CD1-CG 4.15Å; L707-P719 HydrophobicContact CD2-CG 4.25Å; Y711-P719 HydrophobicContact CD2-CG 4.29Å; Y711-P719 HydrophobicContact CE1-CB 3.77Å; Y711-P719 HydrophobicContact CE1-CG 3.93Å; Y711-P719 HydrophobicContact CE2-CB 4.38Å; Y711-P719 HydrophobicContact CE2-CG 3.67Å; Y711-P719 VanDerWaalsContact CZ-CG 3.46Å; P719-L721 PolarHBondContact O-N 3.29Å
720	Q	96.9	Very high	92.7	Very high	66 Å²	66	51.8 Å²	51.8	31%	0.308	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	128.7	166	-63.2	-176	-44.7	0	0	109.3	S678 R679 I680 M783	S678-Q720 PolarHBondContact O-N 3.34Å; R679-Q720 CarbonylContact C-O 3.49Å; R679-Q720 WeakPolarHBondContact CA-O 3.42Å; R679-Q720 HydrophobicContact CG-CB 4.26Å; R679-Q720 VanDerWaalsContact NE-OE1 3.09Å; I680-Q720 PolarHBondContact N-O 3.49Å; Q720-M783 HydrophobicContact CB-SD 3.82Å
721	L	96.9	Very high	92.2	Very high	4 Å²	4	53 Å²	53	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.7	-175.6	174.9	67.4	0	0	0	110.4	I680 I703 I704 L707 P719 Y780 S781 S782	I680-L721 HydrophobicContact CB-CD1 4.05Å; I680-L721 HydrophobicContact CG2-CD1 3.95Å; I680-L721 CarbonylContact O-C 3.57Å; I680-L721 WeakPolarHBondContact O-CA 3.38Å; I703-L721 HydrophobicContact CG2-CD2 4.07Å; I704-L721 HydrophobicContact CG1-CD2 3.92Å; L707-L721 HydrophobicContact CD1-CD1 4.45Å; L707-L721 HydrophobicContact CD1-CD2 4.13Å; P719-L721 PolarHBondContact O-N 3.29Å; L721-Y780 HydrophobicContact CB-CD1 4.34Å; L721-Y780 HydrophobicContact CB-CE1 4.11Å; L721-Y780 HydrophobicContact CD2-CD1 4.01Å; L721-Y780 HydrophobicContact CD2-CE1 4.17Å; L721-Y780 HydrophobicContact CG-CD1 4.13Å; L721-Y780 HydrophobicContact CG-CE1 4.35Å; L721-S781 CarbonylContact O-C 3.49Å; L721-S781 VanDerWaalsContact O-CA 3.3Å; L721-S781 WeakPolarHBondContact O-CA 3.34Å; L721-S782 PolarHBondContact N-OG 3.48Å; L721-S782 PolarHBondContact O-N 2.99Å; L721-S782 PolarHBondContact O-OG 3.28Å
722	A	97	Very high	92	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.9	159.6	0	0	0	0	0	110.2	I680 V681 F682 I724 Y780 M783 M790	I680-A722 PolarHBondContact O-N 2.99Å; V681-A722 HydrophobicContact CG2-CB 4.41Å; F682-A722 PolarHBondContact N-O 3.43Å; A722-I724 HydrophobicContact CB-CG1 4.46Å; A722-Y780 CarbonylContact C-O 3.56Å; A722-Y780 WeakPolarHBondContact CA-O 3.42Å; A722-M783 HydrophobicContact CB-CG 3.56Å; A722-M790 HydrophobicContact CB-CE 3.62Å
723	Y	96.3	Very high	91.8	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	-107.8	115	175.4	-168.4	-73.4	0	0	0	109.5	F682 R684 L695 E699 V700 I703 V725 L779 Y780	F682-Y723 HydrophobicContact CB-CD2 4.09Å; F682-Y723 AromaticContact CD1-CD2 3.71Å; F682-Y723 HydrophobicContact CD1-CD2 3.71Å; F682-Y723 AromaticContact CD1-CE2 3.42Å; F682-Y723 HydrophobicContact CD1-CE2 3.42Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.42Å; F682-Y723 HydrophobicContact CD1-CG 4.46Å; F682-Y723 AromaticContact CD1-CZ 3.94Å; F682-Y723 HydrophobicContact CE1-CD2 4.39Å; F682-Y723 AromaticContact CE1-CE2 3.66Å; F682-Y723 HydrophobicContact CE1-CE2 3.66Å; F682-Y723 AromaticContact CG-CD2 3.99Å; F682-Y723 HydrophobicContact CG-CD2 3.99Å; F682-Y723 HydrophobicContact CG-CE2 4.06Å; F682-Y723 HydrophobicContact CZ-CE2 4.44Å; R684-Y723 HydrophobicContact CB-CE1 3.97Å; R684-Y723 WeakPolarHBondContact CD-OH 3.17Å; R684-Y723 HydrophobicContact CG-CE1 4.41Å; R684-Y723 VanDerWaalsContact CG-OH 3.3Å; R684-Y723 WeakPolarHBondContact CG-OH 3.33Å; L695-Y723 HydrophobicContact CD2-CE1 3.98Å; E699-Y723 PolarHBondContact OE2-OH 2.9Å; V700-Y723 HydrophobicContact CG2-CD1 3.74Å; V700-Y723 HydrophobicContact CG2-CD2 3.97Å; V700-Y723 HydrophobicContact CG2-CE1 3.93Å; V700-Y723 HydrophobicContact CG2-CE2 4.12Å; V700-Y723 HydrophobicContact CG2-CG 3.78Å; I703-Y723 HydrophobicContact CD1-CD2 4.24Å; I703-Y723 HydrophobicContact CD1-CE2 3.85Å; Y723-V725 HydrophobicContact CE1-CG2 4.03Å; Y723-L779 HydrophobicContact CD1-CB 4.21Å; Y723-L779 HydrophobicContact CD1-CD1 3.97Å; Y723-L779 HydrophobicContact CD1-CG 4.23Å; Y723-L779 HydrophobicContact CE1-CD1 3.97Å; Y723-L779 PolarHBondContact O-N 3.09Å; Y723-Y780 PolarHBondContact N-O 3.41Å
724	I	96.4	Very high	91.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.3	-170.2	-49	176.7	0	0	0	109.6	V681 F682 Y683 R684 A722 Y776 N777 V778 M790	V681-I724 HydrophobicContact CG1-CD1 4.05Å; F682-I724 PolarHBondContact O-N 3.04Å; Y683-I724 WeakPolarHBondContact CA-O 3.45Å; Y683-I724 HydrophobicContact CD1-CB 3.9Å; Y683-I724 HydrophobicContact CD1-CD1 4.21Å; Y683-I724 HydrophobicContact CD1-CG2 4.11Å; Y683-I724 HydrophobicContact CE1-CB 4.13Å; Y683-I724 HydrophobicContact CE1-CD1 3.62Å; Y683-I724 HydrophobicContact CE1-CG1 4.44Å; Y683-I724 HydrophobicContact CE1-CG2 4.16Å; R684-I724 PolarHBondContact N-O 3.33Å; A722-I724 HydrophobicContact CB-CG1 4.46Å; I724-Y776 HydrophobicContact CG2-CD1 4.12Å; I724-N777 CarbonylContact C-O 3.56Å; I724-N777 WeakPolarHBondContact CA-O 3.33Å; I724-V778 HydrophobicContact CG1-CG2 4.24Å; I724-V778 HydrophobicContact CG2-CG2 4.49Å; I724-M790 HydrophobicContact CD1-CE 3.6Å; I724-M790 HydrophobicContact CG1-CE 4.49Å
725	V	94.9	Very high	91.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	125.3	171.2	175	0	0	0	0	109.5	R684 V687 L692 L695 Y723 Y776 N777 L779	R684-V725 HydrophobicContact CB-CG2 4.38Å; V687-V725 HydrophobicContact CB-CG1 4.1Å; L692-V725 HydrophobicContact CD2-CB 4.5Å; L692-V725 HydrophobicContact CD2-CG1 4.24Å; L692-V725 HydrophobicContact CD2-CG2 4.13Å; L695-V725 HydrophobicContact CD2-CG2 3.64Å; Y723-V725 HydrophobicContact CE1-CG2 4.03Å; V725-Y776 WeakPolarHBondContact O-CA 3.48Å; V725-N777 HydrophobicContact CB-CB 4.5Å; V725-N777 PolarHBondContact N-O 2.92Å; V725-N777 PolarHBondContact O-N 2.97Å; V725-L779 HydrophobicContact CG2-CD1 3.54Å; V725-L779 HydrophobicContact CG2-CD2 4.34Å; V725-L779 HydrophobicContact CG2-CG 3.85Å
726	V	95.1	Very high	91.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.9	178.3	-174	0	0	0	0	108.4	Y683 R684 T774 Y776 V810	Y683-V726 HydrophobicContact CD1-CG2 3.66Å; Y683-V726 HydrophobicContact CG-CG2 4.25Å; R684-V726 PolarHBondContact O-N 3.23Å; V726-T774 HydrophobicContact CG1-CG2 3.52Å; V726-Y776 HydrophobicContact CB-CE1 4.46Å; V726-Y776 HydrophobicContact CG1-CD1 4.4Å; V726-Y776 HydrophobicContact CG1-CE1 3.92Å; V726-Y776 HydrophobicContact CG2-CD1 3.91Å; V726-Y776 HydrophobicContact CG2-CE1 3.85Å; V726-V810 HydrophobicContact CG1-CB 4.23Å; V726-V810 HydrophobicContact CG1-CG1 3.78Å
727	T	90.6	Very high	91.4	Very high	41 Å²	41	35.6 Å²	35.6	25%	0.252	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.7	178.7	-58.4	0	0	0	0	110.7	S729 S775	T727-S729 VanDerWaalsContact C-N 3.33Å; T727-S729 PolarHBondContact O-N 2.79Å; T727-S775 PolarHBondContact N-O 2.95Å; T727-S775 PolarHBondContact O-N 2.91Å
728	R	85.3	Confident	91	Very high	70 Å²	70	32 Å²	32	26%	0.264	17%	0.172	S	C	.	.			trans	-76.4	85	172.5	-62.3	175.8	-157.7	-147.9	-6.5	108.9	D685 M730 V810 K818	D685-R728 IonicContact OD1-NE 2.83Å; D685-R728 IonicContact OD2-CZ 2.67Å; D685-R728 IonicContact OD2-NE 2.64Å; D685-R728 PolarHBondContact OD2-NE 3.43Å; D685-R728 IonicContact OD2-NH2 2.97Å; D685-R728 PolarHBondContact OD2-NH2 2.83Å; R728-M730 PolarHBondContact O-N 2.94Å; R728-M730 VanDerWaalsContact O-N 3.14Å; R728-V810 HydrophobicContact CG-CG1 4.43Å; R728-K818 VanDerWaalsContact NH1-NZ 3.18Å; R728-K818 VanDerWaalsContact NH2-CD 3.31Å
729	S	74.7	Confident	90.9	Very high	18 Å²	18	35.3 Å²	35.3	13%	0.126	18%	0.182	C	C	.	.			trans	-66.7	114.1	177.6	-168.6	0	0	0	0	109.5	T727 T732 R809	T727-S729 VanDerWaalsContact C-N 3.33Å; T727-S729 PolarHBondContact O-N 2.79Å; S729-T732 WeakPolarHBondContact OG-CB 3.48Å; S729-T732 PolarHBondContact OG-N 2.9Å; S729-T732 PolarHBondContact OG-OG1 3.41Å; S729-R809 PolarHBondContact O-NH2 3.3Å
730	M	71.5	Confident	90.8	Very high	119 Å²	119	36.8 Å²	36.8	59%	0.586	19%	0.189	S	C	*	.	S	Bend	trans	-89.2	-19.6	171.5	-66	-172.6	66	0	0	111.7	R728 R733	R728-M730 PolarHBondContact O-N 2.94Å; R728-M730 VanDerWaalsContact O-N 3.14Å; M730-R733 PolarHBondContact O-NE 3.3Å; M730-R733 VanDerWaalsContact O-NE 3.14Å; M730-R733 PolarHBondContact O-NH2 2.84Å; M730-R733 VanDerWaalsContact O-NH2 3.13Å
731	N	84.8	Confident	90.7	Very high	54 Å²	54	33.8 Å²	33.8	29%	0.289	18%	0.175	S	C	.	.	S	Bend	trans	-89.5	-34.3	-172.5	-60.4	-0.8	0	0	0	112.2	N102 E238	N102-N731 PolarHBondContact ND2-O 2.79Å; E238-N731 PolarHBondContact OE1-ND2 3.11Å; E238-N731 PolarHBondContact OE1-OD1 2.9Å
732	T	91.3	Very high	90.6	Very high	9 Å²	9	35.7 Å²	35.7	6%	0.055	19%	0.188	C	C	.	.			trans	-84.8	124.8	177.2	-47	0	0	0	0	109.1	F103 S729 I751 Y760 P773	F103-T732 HydrophobicContact CE2-CG2 3.87Å; F103-T732 HydrophobicContact CZ-CG2 4.31Å; S729-T732 WeakPolarHBondContact OG-CB 3.48Å; S729-T732 PolarHBondContact OG-N 2.9Å; S729-T732 PolarHBondContact OG-OG1 3.41Å; T732-I751 HydrophobicContact CG2-CD1 3.93Å; T732-Y760 HydrophobicContact CG2-CD1 4.31Å; T732-Y760 HydrophobicContact CG2-CD2 4.48Å; T732-Y760 HydrophobicContact CG2-CE1 3.83Å; T732-Y760 HydrophobicContact CG2-CE2 4.03Å; T732-Y760 PolarHBondContact OG1-OH 2.58Å; T732-P773 VanDerWaalsContact O-CD 3.25Å; T732-P773 WeakPolarHBondContact O-CD 3.34Å; T732-P773 WeakPolarHBondContact O-CG 3.47Å
733	R	92.6	Very high	90.6	Very high	12 Å²	12	36.1 Å²	36.1	5%	0.045	19%	0.19	C	C	.	.			trans	-130.4	147.9	175.3	-56.8	-65.5	-177.9	167	-10.5	109.9	T101 N102 E253 M730 F735 T770 V771 S772	T101-R733 CarbonylContact C-O 3.54Å; T101-R733 WeakPolarHBondContact CA-O 3.21Å; N102-R733 HydrophobicContact CB-CB 4.18Å; N102-R733 PolarHBondContact N-O 2.89Å; N102-R733 VanDerWaalsContact N-O 3.17Å; N102-R733 PolarHBondContact OD1-N 3.18Å; N102-R733 PolarHBondContact OD1-O 3.02Å; N102-R733 VanDerWaalsContact OD1-O 3.04Å; E253-R733 IonicContact OE1-CZ 2.97Å; E253-R733 IonicContact OE1-NE 3.69Å; E253-R733 PolarHBondContact OE1-NE 3.07Å; E253-R733 IonicContact OE1-NH2 3.88Å; E253-R733 PolarHBondContact OE1-NH2 2.83Å; M730-R733 PolarHBondContact O-NE 3.3Å; M730-R733 VanDerWaalsContact O-NE 3.14Å; M730-R733 PolarHBondContact O-NH2 2.84Å; M730-R733 VanDerWaalsContact O-NH2 3.13Å; R733-F735 HydrophobicContact CB-CE2 4.13Å; R733-F735 HydrophobicContact CB-CZ 3.84Å; R733-T770 PolarHBondContact NH1-O 3.48Å; R733-V771 PolarHBondContact NH1-O 3.46Å; R733-S772 VanDerWaalsContact NH1-CB 3.25Å; R733-S772 PolarHBondContact NH1-OG 3.46Å; R733-S772 PolarHBondContact NH2-OG 3.31Å
734	F	93.8	Very high	90.6	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	153.3	168	47.6	-95.1	0	0	0	110.1	L99 Q100 T101 P741 T745 V747 I751 Y760 V762 P773	L99-F734 HydrophobicContact CB-CB 4.38Å; L99-F734 HydrophobicContact CD1-CD2 3.95Å; L99-F734 HydrophobicContact CD1-CE2 4.39Å; Q100-F734 CarbonylContact O-C 3.49Å; Q100-F734 WeakPolarHBondContact O-CA 3.15Å; T101-F734 HydrophobicContact CG2-CB 4.34Å; F734-P741 HydrophobicContact CD2-CB 4.48Å; F734-P741 HydrophobicContact CD2-CG 3.72Å; F734-P741 HydrophobicContact CE2-CB 4.5Å; F734-P741 HydrophobicContact CE2-CG 4.1Å; F734-P741 VanDerWaalsContact O-CD 3.28Å; F734-P741 WeakPolarHBondContact O-CD 3.45Å; F734-P741 WeakPolarHBondContact O-CG 3.4Å; F734-T745 HydrophobicContact CE2-CG2 3.97Å; F734-V747 HydrophobicContact CD1-CG2 4.19Å; F734-V747 HydrophobicContact CD2-CG2 4.16Å; F734-V747 HydrophobicContact CE1-CB 4.45Å; F734-V747 HydrophobicContact CE1-CG2 4.04Å; F734-V747 HydrophobicContact CE2-CG2 4.01Å; F734-V747 HydrophobicContact CG-CG2 4.23Å; F734-V747 HydrophobicContact CZ-CG2 3.95Å; F734-I751 HydrophobicContact CD1-CD1 4.08Å; F734-Y760 HydrophobicContact CE1-CG 4.28Å; F734-V762 HydrophobicContact CE2-CG2 3.48Å; F734-V762 VanDerWaalsContact CE2-CG2 3.48Å; F734-V762 HydrophobicContact CZ-CG2 3.66Å; F734-P773 HydrophobicContact CD1-CG 4.16Å; F734-P773 HydrophobicContact CE1-CB 3.55Å; F734-P773 HydrophobicContact CE1-CG 3.57Å; F734-P773 HydrophobicContact CZ-CB 3.59Å; F734-P773 HydrophobicContact CZ-CG 4.09Å
735	F	93.8	Very high	90.6	Very high	1 Å²	1	36 Å²	36	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.9	-166.7	-49.2	-78	0	0	0	109.2	L99 Q100 P395 R398 R733 Q739 T770	L99-F735 CarbonylContact C-O 3.48Å; L99-F735 WeakPolarHBondContact CA-O 2.95Å; Q100-F735 PolarHBondContact N-O 3.16Å; Q100-F735 WeakPolarHBondContact O-CD2 3.02Å; Q100-F735 PolarHBondContact O-N 3.11Å; P395-F735 HydrophobicContact CB-CD1 3.7Å; P395-F735 HydrophobicContact CB-CE1 3.99Å; P395-F735 HydrophobicContact CG-CD1 4.25Å; P395-F735 HydrophobicContact CG-CE1 4.43Å; R398-F735 HydrophobicContact CG-CZ 4.31Å; R733-F735 HydrophobicContact CB-CE2 4.13Å; R733-F735 HydrophobicContact CB-CZ 3.84Å; F735-Q739 WeakPolarHBondContact CA-O 3.5Å; F735-Q739 WeakPolarHBondContact CB-O 3.29Å; F735-T770 HydrophobicContact CD1-CG2 4.41Å; F735-T770 HydrophobicContact CE1-CG2 3.47Å; F735-T770 VanDerWaalsContact CE1-CG2 3.47Å; F735-T770 HydrophobicContact CZ-CG2 4.16Å
736	L	93.8	Very high	90.8	Very high	33 Å²	33	36 Å²	36	17%	0.173	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-104.5	115.5	173.2	-179.3	62.3	0	0	0	107.7	V97 M98 L99 I437 G738 Q739 P742	V97-L736 HydrophobicContact CB-CD1 4.01Å; V97-L736 HydrophobicContact CG1-CD1 4.41Å; M98-L736 WeakPolarHBondContact O-CD1 3.43Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4Å; L99-L736 HydrophobicContact CD2-CG 4.47Å; I437-L736 HydrophobicContact CD1-CD2 4.45Å; L736-G738 PolarHBondContact O-N 3.48Å; L736-G738 VanDerWaalsContact O-N 3.17Å; L736-Q739 PolarHBondContact N-O 3.49Å; L736-Q739 WeakPolarHBondContact O-CA 3.2Å; L736-Q739 WeakPolarHBondContact O-CB 3.39Å; L736-Q739 PolarHBondContact O-N 2.82Å; L736-P742 HydrophobicContact CD2-CG 4.43Å
737	N	89.3	Confident	90.8	Very high	136 Å²	136	36 Å²	36	73%	0.727	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	40.9	178.7	-56	-23.3	0	0	0	113.6	Q739	N737-Q739 PolarHBondContact O-N 3.48Å
738	G	85.2	Confident	91	Very high	19 Å²	19	34.4 Å²	34.4	20%	0.196	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	10.8	-177.3	0	0	0	0	0	115.1	P395 K396 L736	P395-G738 VanDerWaalsContact CB-O 3.28Å; P395-G738 WeakPolarHBondContact CB-O 3.21Å; K396-G738 PolarHBondContact N-O 2.91Å; L736-G738 PolarHBondContact O-N 3.48Å; L736-G738 VanDerWaalsContact O-N 3.17Å
739	Q	92.1	Very high	91.2	Very high	140 Å²	140	32.1 Å²	32.1	65%	0.654	17%	0.173	S	C	*	.	B	Isolated β-bridge	trans	-116.3	173.5	176.1	-58.2	-169.3	8.3	0	0	111.7	F735 L736 N737	F735-Q739 WeakPolarHBondContact CA-O 3.5Å; F735-Q739 WeakPolarHBondContact CB-O 3.29Å; L736-Q739 PolarHBondContact N-O 3.49Å; L736-Q739 WeakPolarHBondContact O-CA 3.2Å; L736-Q739 WeakPolarHBondContact O-CB 3.39Å; L736-Q739 PolarHBondContact O-N 2.82Å; N737-Q739 PolarHBondContact O-N 3.48Å
740	N	94	Very high	91.9	Very high	45 Å²	45	32.9 Å²	32.9	24%	0.241	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-67.2	132.6	173	-78	-45.7	0	0	0	109.4	P395 G769 T770 V771	P395-N740 HydrophobicContact CG-CB 4.32Å; P395-N740 VanDerWaalsContact CG-CG 3.44Å; P395-N740 WeakPolarHBondContact CG-OD1 3.47Å; N740-G769 PolarHBondContact ND2-O 3.06Å; N740-T770 WeakPolarHBondContact OD1-CA 3.26Å; N740-V771 HydrophobicContact CB-CG2 3.69Å; N740-V771 PolarHBondContact OD1-N 3.01Å
741	P	94.8	Very high	92.8	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.019	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-62.3	145	173.2	-17.8	29.8	0	0	0	111.2	L99 F734 T745 V762	L99-P741 HydrophobicContact CD2-CG 4.44Å; F734-P741 HydrophobicContact CD2-CB 4.48Å; F734-P741 HydrophobicContact CD2-CG 3.72Å; F734-P741 HydrophobicContact CE2-CB 4.5Å; F734-P741 HydrophobicContact CE2-CG 4.1Å; F734-P741 VanDerWaalsContact O-CD 3.28Å; F734-P741 WeakPolarHBondContact O-CD 3.45Å; F734-P741 WeakPolarHBondContact O-CG 3.4Å; P741-T745 HydrophobicContact CB-CG2 3.91Å; P741-T745 WeakPolarHBondContact CB-OG1 3.48Å; P741-V762 HydrophobicContact CB-CG2 4.44Å
742	P	95.5	Very high	93.2	Very high	44 Å²	44	24.7 Å²	24.7	29%	0.286	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-69.9	158.9	177.9	29.1	-35	0	0	0	112.1	I437 L736 G744 T745	I437-P742 HydrophobicContact CD1-CG 3.59Å; I437-P742 HydrophobicContact CG1-CG 4.24Å; I437-P742 HydrophobicContact CG2-CG 4.47Å; L736-P742 HydrophobicContact CD2-CG 4.43Å; P742-G744 PolarHBondContact O-N 2.89Å; P742-T745 WeakPolarHBondContact CD-OG1 3.24Å; P742-T745 WeakPolarHBondContact O-CB 3.4Å; P742-T745 PolarHBondContact O-N 3.36Å; P742-T745 PolarHBondContact O-OG1 3.46Å
743	P	96.8	Very high	93	Very high	8 Å²	8	24.9 Å²	24.9	5%	0.052	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	135.3	168.3	-29.1	38.4	0	0	0	112.5	A456 V762 S763 Q765 Y795	A456-P743 HydrophobicContact CB-CB 3.68Å; A456-P743 HydrophobicContact CB-CG 3.88Å; P743-V762 CarbonylContact C-O 3.51Å; P743-V762 WeakPolarHBondContact CA-O 3.46Å; P743-S763 WeakPolarHBondContact CB-O 3.49Å; P743-Q765 HydrophobicContact CG-CB 3.82Å; P743-Q765 HydrophobicContact CG-CG 4.12Å; P743-Y795 VanDerWaalsContact C-OH 3.31Å; P743-Y795 WeakPolarHBondContact CB-OH 3.37Å
744	G	96.6	Very high	92.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-3.4	-176.8	0	0	0	0	0	114.3	I438 P742 I746 V762 Y795	I438-G744 PolarHBondContact N-O 2.93Å; P742-G744 PolarHBondContact O-N 2.89Å; G744-I746 PolarHBondContact O-N 3.39Å; G744-V762 PolarHBondContact N-O 3.25Å; G744-Y795 PolarHBondContact N-OH 3.09Å
745	T	97.5	Very high	92.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	127.9	175.4	-53.3	0	0	0	0	111.1	L99 R436 F734 P741 P742 L761 V762	L99-T745 HydrophobicContact CD1-CG2 3.67Å; L99-T745 HydrophobicContact CD2-CG2 4.15Å; R436-T745 CarbonylContact O-C 3.59Å; R436-T745 VanDerWaalsContact O-CA 3.3Å; R436-T745 WeakPolarHBondContact O-CA 3.4Å; F734-T745 HydrophobicContact CE2-CG2 3.97Å; P741-T745 HydrophobicContact CB-CG2 3.91Å; P741-T745 WeakPolarHBondContact CB-OG1 3.48Å; P742-T745 WeakPolarHBondContact CD-OG1 3.24Å; P742-T745 WeakPolarHBondContact O-CB 3.4Å; P742-T745 PolarHBondContact O-N 3.36Å; P742-T745 PolarHBondContact O-OG1 3.46Å; T745-L761 WeakPolarHBondContact O-CA 3.5Å; T745-V762 PolarHBondContact O-N 3.23Å
746	I	97.6	Very high	92.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142.9	179.2	-70.2	-177	0	0	0	110.9	G435 R436 I438 G744 D748 Y760 L761 Q791	G435-I746 CarbonylContact C-O 3.56Å; G435-I746 WeakPolarHBondContact CA-O 3.41Å; R436-I746 PolarHBondContact N-O 3.23Å; R436-I746 PolarHBondContact O-N 3.36Å; I438-I746 HydrophobicContact CD1-CD1 3.3Å; I438-I746 HydrophobicContact CD1-CG1 4.29Å; I438-I746 HydrophobicContact CG1-CD1 3.8Å; I438-I746 HydrophobicContact CG1-CG1 4.49Å; G744-I746 PolarHBondContact O-N 3.39Å; I746-D748 HydrophobicContact CG2-CB 4.28Å; I746-Y760 VanDerWaalsContact CA-O 3.29Å; I746-Y760 WeakPolarHBondContact CA-O 3.28Å; I746-L761 HydrophobicContact CD1-CD1 4.22Å; I746-L761 HydrophobicContact CG1-CB 4.29Å; I746-L761 HydrophobicContact CG1-CD1 3.68Å; I746-Q791 HydrophobicContact CD1-CB 3.69Å; I746-Q791 HydrophobicContact CD1-CG 4.18Å
747	V	96.6	Very high	92	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	117.3	166.6	-178.8	0	0	0	0	108.7	L99 V433 F734 D749 I751 Y760	L99-V747 HydrophobicContact CD1-CG2 3.49Å; L99-V747 VanDerWaalsContact CD1-CG2 3.49Å; V433-V747 HydrophobicContact CG1-CG1 3.59Å; F734-V747 HydrophobicContact CD1-CG2 4.19Å; F734-V747 HydrophobicContact CD2-CG2 4.16Å; F734-V747 HydrophobicContact CE1-CB 4.45Å; F734-V747 HydrophobicContact CE1-CG2 4.04Å; F734-V747 HydrophobicContact CE2-CG2 4.01Å; F734-V747 HydrophobicContact CG-CG2 4.23Å; F734-V747 HydrophobicContact CZ-CG2 3.95Å; V747-D749 WeakPolarHBondContact CG1-O 3.27Å; V747-I751 HydrophobicContact CB-CD1 4.43Å; V747-I751 HydrophobicContact CG1-CD1 3.77Å; V747-I751 HydrophobicContact CG1-CG1 3.58Å; V747-Y760 PolarHBondContact N-O 3.21Å; V747-Y760 PolarHBondContact O-N 3.39Å
748	D	94.2	Very high	92.2	Very high	6 Å²	6	21.3 Å²	21.3	3%	0.032	12%	0.116	C	C	.	.			trans	-126.9	18.3	-176.6	52	8.2	0	0	0	112.7	G91 R436 I746 F759 Q791	G91-D748 PolarHBondContact N-OD2 2.95Å; R436-D748 IonicContact NE-OD2 3.64Å; R436-D748 IonicContact NH2-OD2 2.89Å; I746-D748 HydrophobicContact CG2-CB 4.28Å; D748-F759 HydrophobicContact CB-CB 3.88Å; D748-Q791 PolarHBondContact OD2-NE2 3.47Å
749	D	88.5	Confident	92.8	Very high	22 Å²	22	20.4 Å²	20.4	12%	0.118	11%	0.107	C	C	.	.	S	Bend	trans	-147.1	171.2	177.1	-166.9	25.1	0	0	0	111.4	K90 E245 V747 I751	K90-D749 HydrophobicContact CD-CB 4.43Å; K90-D749 WeakPolarHBondContact CE-OD2 3.39Å; K90-D749 HydrophobicContact CG-CB 4.38Å; K90-D749 IonicContact NZ-OD1 3.93Å; K90-D749 IonicContact NZ-OD2 2.6Å; K90-D749 PolarHBondContact NZ-OD2 3.3Å; E245-D749 WeakPolarHBondContact CG-OD1 3.36Å; V747-D749 WeakPolarHBondContact CG1-O 3.27Å; D749-I751 PolarHBondContact O-N 2.88Å
750	V	89.1	Confident	93	Very high	35 Å²	35	14.6 Å²	14.6	21%	0.212	8%	0.079	C	C	.	.	S	Bend	trans	62.9	-51.6	171.6	-173.9	0	0	0	0	115.7	H244 L249 T431 V433	H244-V750 WeakPolarHBondContact CB-O 3.5Å; L249-V750 HydrophobicContact CD1-CG1 4.4Å; L249-V750 WeakPolarHBondContact CD1-O 3.48Å; T431-V750 HydrophobicContact CG2-CG1 3.97Å; V433-V750 HydrophobicContact CB-CB 4.43Å; V433-V750 HydrophobicContact CG1-CB 3.92Å; V433-V750 HydrophobicContact CG1-CG2 4.05Å; V433-V750 HydrophobicContact CG2-CB 3.72Å; V433-V750 HydrophobicContact CG2-CG1 3.72Å; V433-V750 HydrophobicContact CG2-CG2 4.36Å
751	I	91.7	Very high	93.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-104.4	-0.3	179.4	57.8	169.2	0	0	0	112.8	T101 F103 H244 L249 V433 T732 F734 V747 D749 Y760	T101-I751 HydrophobicContact CG2-CD1 4.16Å; T101-I751 HydrophobicContact CG2-CG2 4.04Å; F103-I751 HydrophobicContact CB-CG2 4.48Å; F103-I751 HydrophobicContact CD2-CB 4.41Å; F103-I751 HydrophobicContact CD2-CG2 3.72Å; F103-I751 HydrophobicContact CE2-CB 4.26Å; F103-I751 HydrophobicContact CE2-CG2 4.07Å; F103-I751 HydrophobicContact CG-CG2 4.02Å; H244-I751 PolarHBondContact CE1-O 2.87Å; H244-I751 WeakPolarHBondContact ND1-CA 3.32Å; H244-I751 PolarHBondContact ND1-O 3.31Å; L249-I751 HydrophobicContact CD1-CG2 3.92Å; V433-I751 HydrophobicContact CG2-CG2 3.99Å; T732-I751 HydrophobicContact CG2-CD1 3.93Å; F734-I751 HydrophobicContact CD1-CD1 4.08Å; V747-I751 HydrophobicContact CB-CD1 4.43Å; V747-I751 HydrophobicContact CG1-CD1 3.77Å; V747-I751 HydrophobicContact CG1-CG1 3.58Å; D749-I751 PolarHBondContact O-N 2.88Å; I751-Y760 HydrophobicContact CD1-CD2 4.38Å; I751-Y760 HydrophobicContact CD1-CE2 4.49Å; I751-Y760 HydrophobicContact CG1-CD2 4.44Å; I751-Y760 HydrophobicContact CG1-CE2 4.36Å
752	T	92	Very high	93.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-75.4	172.9	166.3	51.2	0	0	0	0	111.3	K89 H244 E245 D758 Y760	K89-T752 VanDerWaalsContact CE-OG1 3.31Å; K89-T752 WeakPolarHBondContact CE-OG1 3Å; K89-T752 PolarHBondContact NZ-OG1 3.15Å; H244-T752 PolarHBondContact ND1-O 3.37Å; E245-T752 WeakPolarHBondContact CG-OG1 3.08Å; E245-T752 PolarHBondContact OE1-OG1 3.18Å; T752-D758 WeakPolarHBondContact CB-OD1 3.24Å; T752-Y760 HydrophobicContact CG2-CD2 4.28Å; T752-Y760 HydrophobicContact CG2-CE2 4.3Å
753	L	88.6	Confident	93.3	Very high	13 Å²	13	10.5 Å²	10.5	7%	0.068	6%	0.055	C	C	.	.			trans	-100.8	134.8	-178.9	-68.2	174.2	0	0	0	111.8	K89 E245 E755 R756 D758	K89-L753 PolarHBondContact NZ-O 2.75Å; E245-L753 VanDerWaalsContact OE1-C 3.3Å; L753-E755 VanDerWaalsContact C-N 3.31Å; L753-E755 PolarHBondContact O-N 2.97Å; L753-R756 HydrophobicContact CB-CB 4.18Å; L753-R756 HydrophobicContact CB-CG 4Å; L753-R756 PolarHBondContact O-N 3.01Å; L753-R756 VanDerWaalsContact O-N 3.08Å; L753-D758 PolarHBondContact N-OD1 2.78Å; L753-D758 PolarHBondContact N-OD2 3.44Å
754	P	86.8	Confident	93.1	Very high	35 Å²	35	13 Å²	13	23%	0.227	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.7	-175.7	-23.5	31.4	0	0	0	113.7	R82 Q243 H244 R756	R82-P754 WeakPolarHBondContact CD-O 3.45Å; Q243-P754 HydrophobicContact CG-CG 4.46Å; H244-P754 VanDerWaalsContact C-CG 3.45Å; H244-P754 VanDerWaalsContact O-CG 3.3Å; H244-P754 WeakPolarHBondContact O-CG 3.46Å; P754-R756 PolarHBondContact O-N 3.07Å
755	E	85	Confident	92.8	Very high	39 Å²	39	15.8 Å²	15.8	18%	0.182	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-0.9	-177.7	75.8	-78.4	-175.6	0	0	113.3	Y78 N80 T81 R82 L753	Y78-E755 HydrophobicContact CD1-CG 4.38Å; Y78-E755 VanDerWaalsContact CD1-OE1 3.3Å; Y78-E755 WeakPolarHBondContact CD1-OE1 3.47Å; N80-E755 CarbonylContact C-O 3.54Å; N80-E755 WeakPolarHBondContact CA-O 3.47Å; N80-E755 PolarHBondContact OD1-O 2.87Å; T81-E755 PolarHBondContact N-O 2.79Å; R82-E755 PolarHBondContact N-O 3.25Å; L753-E755 VanDerWaalsContact C-N 3.31Å; L753-E755 PolarHBondContact O-N 2.97Å
756	R	88.6	Confident	92.4	Very high	28 Å²	28	18.1 Å²	18.1	11%	0.106	9%	0.093	C	C	.	.	S	Bend	trans	-118.2	142.4	-175.1	-59.9	-173.7	-173.5	-177.4	-4.7	112.4	T81 K89 L753 P754 D758	T81-R756 WeakPolarHBondContact OG1-CA 3.26Å; K89-R756 PolarHBondContact NZ-O 3.34Å; L753-R756 HydrophobicContact CB-CB 4.18Å; L753-R756 HydrophobicContact CB-CG 4Å; L753-R756 PolarHBondContact O-N 3.01Å; L753-R756 VanDerWaalsContact O-N 3.08Å; P754-R756 PolarHBondContact O-N 3.07Å; R756-D758 HydrophobicContact CB-CB 4.01Å; R756-D758 PolarHBondContact O-N 2.88Å
757	Y	92.6	Very high	91.7	Very high	7 Å²	7	28.3 Å²	28.3	3%	0.027	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	84.4	157.9	-180	-161.7	0	0	0	109.1	T81 L86 K89 V778 P787	T81-Y757 PolarHBondContact OG1-N 2.83Å; L86-Y757 HydrophobicContact CD2-CD1 3.98Å; L86-Y757 HydrophobicContact CD2-CD2 3.79Å; L86-Y757 HydrophobicContact CD2-CE1 4.3Å; L86-Y757 HydrophobicContact CD2-CE2 4.13Å; L86-Y757 HydrophobicContact CD2-CG 3.73Å; K89-Y757 HydrophobicContact CB-CD2 3.76Å; K89-Y757 HydrophobicContact CB-CE2 4Å; Y757-V778 HydrophobicContact CD1-CB 3.49Å; Y757-V778 VanDerWaalsContact CD1-CB 3.49Å; Y757-V778 HydrophobicContact CD1-CG1 3.7Å; Y757-V778 HydrophobicContact CD1-CG2 3.91Å; Y757-V778 HydrophobicContact CE1-CB 3.9Å; Y757-V778 HydrophobicContact CE1-CG1 3.88Å; Y757-V778 HydrophobicContact CE1-CG2 3.88Å; Y757-V778 HydrophobicContact CG-CB 3.92Å; Y757-V778 HydrophobicContact CG-CG2 4.23Å; Y757-V778 WeakPolarHBondContact O-CB 3.08Å; Y757-V778 PolarHBondContact O-N 3.05Å; Y757-P787 HydrophobicContact CE2-CB 4.11Å; Y757-P787 HydrophobicContact CE2-CG 4.22Å; Y757-P787 VanDerWaalsContact OH-CA 3.24Å; Y757-P787 WeakPolarHBondContact OH-CA 3.48Å
758	D	93.4	Very high	91	Very high	2 Å²	2	35 Å²	35	1%	0.011	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	158.1	-175.8	63.9	-15.2	0	0	0	113.8	K89 T752 L753 R756 Y776 N777	K89-D758 IonicContact NZ-OD1 3.13Å; K89-D758 PolarHBondContact NZ-OD1 2.88Å; T752-D758 WeakPolarHBondContact CB-OD1 3.24Å; L753-D758 PolarHBondContact N-OD1 2.78Å; L753-D758 PolarHBondContact N-OD2 3.44Å; R756-D758 HydrophobicContact CB-CB 4.01Å; R756-D758 PolarHBondContact O-N 2.88Å; D758-Y776 CarbonylContact C-O 3.43Å; D758-Y776 WeakPolarHBondContact CA-O 3.32Å; D758-Y776 WeakPolarHBondContact CB-O 3.46Å; D758-N777 HydrophobicContact CB-CB 4.24Å
759	F	96.2	Very high	90.7	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	159.2	173.5	62.4	-87.8	0	0	0	110.8	D748 L761 Y776 Q791 T794	D748-F759 HydrophobicContact CB-CB 3.88Å; F759-L761 HydrophobicContact CD2-CB 4.4Å; F759-L761 HydrophobicContact CE2-CB 4.31Å; F759-Y776 HydrophobicContact CD2-CD2 4.06Å; F759-Y776 HydrophobicContact CD2-CG 4.45Å; F759-Y776 HydrophobicContact CE1-CG 4.47Å; F759-Y776 AromaticContact CE2-CD2 3.54Å; F759-Y776 HydrophobicContact CE2-CD2 3.54Å; F759-Y776 HydrophobicContact CE2-CE2 4.37Å; F759-Y776 AromaticContact CE2-CG 3.74Å; F759-Y776 HydrophobicContact CE2-CG 3.74Å; F759-Y776 VanDerWaalsContact CZ-CB 3.46Å; F759-Y776 HydrophobicContact CZ-CD1 4.49Å; F759-Y776 HydrophobicContact CZ-CD2 4.07Å; F759-Y776 AromaticContact CZ-CG 3.76Å; F759-Y776 HydrophobicContact CZ-CG 3.76Å; F759-Y776 PolarHBondContact N-O 3.05Å; F759-Y776 PolarHBondContact O-N 3.41Å; F759-Q791 HydrophobicContact CD1-CG 3.85Å; F759-Q791 HydrophobicContact CD2-CG 3.8Å; F759-Q791 HydrophobicContact CE1-CG 3.87Å; F759-Q791 HydrophobicContact CE2-CB 4.37Å; F759-Q791 HydrophobicContact CE2-CG 3.82Å; F759-Q791 HydrophobicContact CG-CG 3.81Å; F759-Q791 HydrophobicContact CZ-CB 4.46Å; F759-Q791 HydrophobicContact CZ-CG 3.85Å; F759-T794 HydrophobicContact CZ-CG2 4.36Å
760	Y	97.1	Very high	90.6	Very high	18 Å²	18	35 Å²	35	7%	0.071	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	141.1	169.8	-64.6	-83.1	0	0	0	110.3	T732 F734 I746 V747 I751 T752 P773 T774	T732-Y760 HydrophobicContact CG2-CD1 4.31Å; T732-Y760 HydrophobicContact CG2-CD2 4.48Å; T732-Y760 HydrophobicContact CG2-CE1 3.83Å; T732-Y760 HydrophobicContact CG2-CE2 4.03Å; T732-Y760 PolarHBondContact OG1-OH 2.58Å; F734-Y760 HydrophobicContact CE1-CG 4.28Å; I746-Y760 VanDerWaalsContact CA-O 3.29Å; I746-Y760 WeakPolarHBondContact CA-O 3.28Å; V747-Y760 PolarHBondContact N-O 3.21Å; V747-Y760 PolarHBondContact O-N 3.39Å; I751-Y760 HydrophobicContact CD1-CD2 4.38Å; I751-Y760 HydrophobicContact CD1-CE2 4.49Å; I751-Y760 HydrophobicContact CG1-CD2 4.44Å; I751-Y760 HydrophobicContact CG1-CE2 4.36Å; T752-Y760 HydrophobicContact CG2-CD2 4.28Å; T752-Y760 HydrophobicContact CG2-CE2 4.3Å; Y760-P773 HydrophobicContact CD1-CB 4.44Å; Y760-P773 HydrophobicContact CD1-CG 4.5Å; Y760-T774 CarbonylContact C-O 3.53Å; Y760-T774 WeakPolarHBondContact CA-O 3.24Å
761	L	97.5	Very high	90.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.6	173.9	164.6	70	0	0	0	109.9	T745 I746 F759 T774 Y776 T794 Y795	T745-L761 WeakPolarHBondContact O-CA 3.5Å; I746-L761 HydrophobicContact CD1-CD1 4.22Å; I746-L761 HydrophobicContact CG1-CB 4.29Å; I746-L761 HydrophobicContact CG1-CD1 3.68Å; F759-L761 HydrophobicContact CD2-CB 4.4Å; F759-L761 HydrophobicContact CE2-CB 4.31Å; L761-T774 PolarHBondContact N-O 2.9Å; L761-T774 PolarHBondContact O-N 2.67Å; L761-Y776 HydrophobicContact CB-CD2 4.19Å; L761-Y776 HydrophobicContact CB-CE2 3.79Å; L761-Y776 HydrophobicContact CD2-CE2 4.09Å; L761-Y776 HydrophobicContact CG-CE2 4.41Å; L761-T794 HydrophobicContact CD2-CG2 4.18Å; L761-Y795 HydrophobicContact CD1-CD2 3.97Å; L761-Y795 HydrophobicContact CD1-CG 4.41Å; L761-Y795 HydrophobicContact CD2-CD2 4.18Å
762	V	97.2	Very high	90.6	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	98.9	163.9	172	0	0	0	0	107.3	F734 P741 P743 G744 T745 V771 P773	F734-V762 HydrophobicContact CE2-CG2 3.48Å; F734-V762 VanDerWaalsContact CE2-CG2 3.48Å; F734-V762 HydrophobicContact CZ-CG2 3.66Å; P741-V762 HydrophobicContact CB-CG2 4.44Å; P743-V762 CarbonylContact C-O 3.51Å; P743-V762 WeakPolarHBondContact CA-O 3.46Å; G744-V762 PolarHBondContact N-O 3.25Å; T745-V762 PolarHBondContact O-N 3.23Å; V762-V771 HydrophobicContact CB-CG1 4.26Å; V762-V771 HydrophobicContact CG1-CG1 3.57Å; V762-V771 HydrophobicContact CG2-CG1 3.75Å; V762-P773 HydrophobicContact CG2-CB 3.99Å
763	S	95.9	Very high	90.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	17%	0.167	C	C	.	.			trans	-92.2	-35	176.6	55.7	0	0	0	0	112.6	P743 T807 T808 R809	P743-S763 WeakPolarHBondContact CB-O 3.49Å; S763-T807 WeakPolarHBondContact O-CB 3.43Å; S763-T807 PolarHBondContact O-OG1 3.26Å; S763-T808 WeakPolarHBondContact CB-O 3.16Å; S763-T808 PolarHBondContact OG-O 3.49Å; S763-R809 WeakPolarHBondContact OG-CA 3.18Å; S763-R809 PolarHBondContact OG-O 2.74Å
764	Q	93.1	Very high	91.1	Very high	61 Å²	61	34.3 Å²	34.3	29%	0.285	16%	0.164	S	C	.	.	S	Bend	trans	-111.4	128.5	-173.6	178.5	174.2	52.7	0	0	111.6	R809	Q764-R809 HydrophobicContact CB-CB 4.34Å
765	Q	90.6	Very high	91.4	Very high	59 Å²	59	33.1 Å²	33.1	28%	0.276	16%	0.157	S	C	.	.			trans	-73.7	151.3	169.4	53.6	158	-4.8	0	0	112	N455 P743	N455-Q765 WeakPolarHBondContact O-CG 3.41Å; N455-Q765 PolarHBondContact O-NE2 3.25Å; N455-Q765 PolarHBondContact OD1-OE1 3.29Å; P743-Q765 HydrophobicContact CG-CB 3.82Å; P743-Q765 HydrophobicContact CG-CG 4.12Å
766	V	87.9	Confident	92	Very high	49 Å²	49	31.3 Å²	31.3	30%	0.297	15%	0.148	S	C	.	.			trans	-119.7	134.2	173.3	-56.9	0	0	0	0	110.1	Q768 V771	V766-Q768 VanDerWaalsContact C-N 3.33Å; V766-V771 HydrophobicContact CB-CG2 4.41Å; V766-V771 HydrophobicContact CG1-CG2 4.21Å; V766-V771 HydrophobicContact CG2-CG2 3.62Å
767	R	84.1	Confident	92.2	Very high	213 Å²	213	30.2 Å²	30.2	80%	0.804	14%	0.144	S	C	*	.	S	Bend	trans	-73.6	-26.6	177.6	-64.4	-175	-178.5	-174.6	0.3	113.1
768	Q	81.6	Confident	92.3	Very high	141 Å²	141	29.9 Å²	29.9	66%	0.659	14%	0.143	S	C	*	.	S	Bend	trans	-143.7	149.8	-177.9	-66.9	-178.7	1.3	0	0	109.8	V766	V766-Q768 VanDerWaalsContact C-N 3.33Å
769	G	87	Confident	92.2	Very high	14 Å²	14	30.1 Å²	30.1	14%	0.144	15%	0.145	C	C	.	.	S	Bend	trans	77.9	-160.4	-178.2	0	0	0	0	0	112.9	M393 P395 N740	M393-G769 CarbonylContact O-C 3.56Å; M393-G769 VanDerWaalsContact O-C 3.24Å; M393-G769 VanDerWaalsContact O-CA 3.24Å; M393-G769 WeakPolarHBondContact O-CA 3.47Å; P395-G769 WeakPolarHBondContact CD-O 3.41Å; N740-G769 PolarHBondContact ND2-O 3.06Å
770	T	87.5	Confident	92.1	Very high	15 Å²	15	33.8 Å²	33.8	9%	0.092	16%	0.159	C	C	.	.			trans	-106.1	135.6	-177.2	-53.5	0	0	0	0	111.1	M393 R398 R733 F735 N740 S772	M393-T770 PolarHBondContact O-N 2.78Å; M393-T770 PolarHBondContact O-OG1 3.15Å; R398-T770 PolarHBondContact NE-OG1 2.98Å; R733-T770 PolarHBondContact NH1-O 3.48Å; F735-T770 HydrophobicContact CD1-CG2 4.41Å; F735-T770 HydrophobicContact CE1-CG2 3.47Å; F735-T770 VanDerWaalsContact CE1-CG2 3.47Å; F735-T770 HydrophobicContact CZ-CG2 4.16Å; N740-T770 WeakPolarHBondContact OD1-CA 3.26Å; T770-S772 PolarHBondContact O-N 3.35Å
771	V	90.3	Very high	91.9	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.024	17%	0.169	C	C	.	.			trans	-61	135.2	173.6	170.3	0	0	0	0	110.3	R733 N740 V762 V766	R733-V771 PolarHBondContact NH1-O 3.46Å; N740-V771 HydrophobicContact CB-CG2 3.69Å; N740-V771 PolarHBondContact OD1-N 3.01Å; V762-V771 HydrophobicContact CB-CG1 4.26Å; V762-V771 HydrophobicContact CG1-CG1 3.57Å; V762-V771 HydrophobicContact CG2-CG1 3.75Å; V766-V771 HydrophobicContact CB-CG2 4.41Å; V766-V771 HydrophobicContact CG1-CG2 4.21Å; V766-V771 HydrophobicContact CG2-CG2 3.62Å
772	S	90	Very high	91.7	Very high	27 Å²	27	36.9 Å²	36.9	19%	0.189	18%	0.183	C	C	.	.			trans	-105.8	105.5	173.2	-43.3	0	0	0	0	108.1	R733 T770 R809	R733-S772 VanDerWaalsContact NH1-CB 3.25Å; R733-S772 PolarHBondContact NH1-OG 3.46Å; R733-S772 PolarHBondContact NH2-OG 3.31Å; T770-S772 PolarHBondContact O-N 3.35Å; S772-R809 PolarHBondContact O-NE 3.43Å; S772-R809 VanDerWaalsContact O-NE 3.09Å; S772-R809 PolarHBondContact O-NH2 2.99Å
773	P	94.3	Very high	91.3	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.183	C	C	.	.			trans	-61.7	161.7	-179.9	27.6	-34.5	0	0	0	111	T732 F734 Y760 V762 R809	T732-P773 VanDerWaalsContact O-CD 3.25Å; T732-P773 WeakPolarHBondContact O-CD 3.34Å; T732-P773 WeakPolarHBondContact O-CG 3.47Å; F734-P773 HydrophobicContact CD1-CG 4.16Å; F734-P773 HydrophobicContact CE1-CB 3.55Å; F734-P773 HydrophobicContact CE1-CG 3.57Å; F734-P773 HydrophobicContact CZ-CB 3.59Å; F734-P773 HydrophobicContact CZ-CG 4.09Å; Y760-P773 HydrophobicContact CD1-CB 4.44Å; Y760-P773 HydrophobicContact CD1-CG 4.5Å; V762-P773 HydrophobicContact CG2-CB 3.99Å; P773-R809 PolarHBondContact O-NH2 3.44Å
774	T	95.9	Very high	90.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.2	173.9	-57.8	0	0	0	0	108.5	V726 Y760 L761 Y776 R809 V810	V726-T774 HydrophobicContact CG1-CG2 3.52Å; Y760-T774 CarbonylContact C-O 3.53Å; Y760-T774 WeakPolarHBondContact CA-O 3.24Å; L761-T774 PolarHBondContact N-O 2.9Å; L761-T774 PolarHBondContact O-N 2.67Å; T774-Y776 HydrophobicContact CG2-CD2 4.26Å; T774-Y776 HydrophobicContact CG2-CE1 4.23Å; T774-Y776 HydrophobicContact CG2-CE2 3.53Å; T774-Y776 WeakPolarHBondContact O-CD2 3.23Å; T774-Y776 WeakPolarHBondContact O-CE2 3.18Å; T774-R809 WeakPolarHBondContact CB-O 3.41Å; T774-R809 VanDerWaalsContact OG1-CG 3.22Å; T774-R809 WeakPolarHBondContact OG1-CG 3.28Å; T774-R809 PolarHBondContact OG1-O 3.34Å; T774-V810 HydrophobicContact CG2-CG1 4.2Å
775	S	94.8	Very high	90.7	Very high	11 Å²	11	39.3 Å²	39.3	8%	0.077	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.5	175.8	179	0	0	0	0	109.1	T727	T727-S775 PolarHBondContact N-O 2.95Å; T727-S775 PolarHBondContact O-N 2.91Å
776	Y	95.8	Very high	90.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.3	176.1	-63.7	-91.3	0	0	0	107.7	Y683 I724 V725 V726 D758 F759 L761 T774 T794 P811	Y683-Y776 HydrophobicContact CD1-CD1 4.49Å; Y683-Y776 HydrophobicContact CE1-CD1 4.24Å; Y683-Y776 HydrophobicContact CE1-CE1 4.32Å; I724-Y776 HydrophobicContact CG2-CD1 4.12Å; V725-Y776 WeakPolarHBondContact O-CA 3.48Å; V726-Y776 HydrophobicContact CB-CE1 4.46Å; V726-Y776 HydrophobicContact CG1-CD1 4.4Å; V726-Y776 HydrophobicContact CG1-CE1 3.92Å; V726-Y776 HydrophobicContact CG2-CD1 3.91Å; V726-Y776 HydrophobicContact CG2-CE1 3.85Å; D758-Y776 CarbonylContact C-O 3.43Å; D758-Y776 WeakPolarHBondContact CA-O 3.32Å; D758-Y776 WeakPolarHBondContact CB-O 3.46Å; F759-Y776 HydrophobicContact CD2-CD2 4.06Å; F759-Y776 HydrophobicContact CD2-CG 4.45Å; F759-Y776 HydrophobicContact CE1-CG 4.47Å; F759-Y776 AromaticContact CE2-CD2 3.54Å; F759-Y776 HydrophobicContact CE2-CD2 3.54Å; F759-Y776 HydrophobicContact CE2-CE2 4.37Å; F759-Y776 AromaticContact CE2-CG 3.74Å; F759-Y776 HydrophobicContact CE2-CG 3.74Å; F759-Y776 VanDerWaalsContact CZ-CB 3.46Å; F759-Y776 HydrophobicContact CZ-CD1 4.49Å; F759-Y776 HydrophobicContact CZ-CD2 4.07Å; F759-Y776 AromaticContact CZ-CG 3.76Å; F759-Y776 HydrophobicContact CZ-CG 3.76Å; F759-Y776 PolarHBondContact N-O 3.05Å; F759-Y776 PolarHBondContact O-N 3.41Å; L761-Y776 HydrophobicContact CB-CD2 4.19Å; L761-Y776 HydrophobicContact CB-CE2 3.79Å; L761-Y776 HydrophobicContact CD2-CE2 4.09Å; L761-Y776 HydrophobicContact CG-CE2 4.41Å; T774-Y776 HydrophobicContact CG2-CD2 4.26Å; T774-Y776 HydrophobicContact CG2-CE1 4.23Å; T774-Y776 HydrophobicContact CG2-CE2 3.53Å; T774-Y776 WeakPolarHBondContact O-CD2 3.23Å; T774-Y776 WeakPolarHBondContact O-CE2 3.18Å; Y776-T794 HydrophobicContact CD1-CG2 3.64Å; Y776-T794 HydrophobicContact CD2-CG2 4.4Å; Y776-T794 HydrophobicContact CE1-CG2 3.26Å; Y776-T794 HydrophobicContact CE2-CG2 4.11Å; Y776-T794 HydrophobicContact CG-CG2 4.19Å; Y776-P811 HydrophobicContact CE1-CG 3.94Å
777	N	93.8	Very high	91	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112.4	177.1	-178.9	15.2	0	0	0	109.2	T81 I724 V725 D758 L779	T81-N777 PolarHBondContact OG1-OD1 3.16Å; I724-N777 CarbonylContact C-O 3.56Å; I724-N777 WeakPolarHBondContact CA-O 3.33Å; V725-N777 HydrophobicContact CB-CB 4.5Å; V725-N777 PolarHBondContact N-O 2.92Å; V725-N777 PolarHBondContact O-N 2.97Å; D758-N777 HydrophobicContact CB-CB 4.24Å; N777-L779 VanDerWaalsContact ND2-CD2 3.34Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.39Å; N777-L779 PolarHBondContact O-N 3.4Å
778	V	94.3	Very high	91.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	106.6	177.4	-173.6	0	0	0	0	107.7	T81 I724 Y757	T81-V778 PolarHBondContact OG1-O 3.43Å; I724-V778 HydrophobicContact CG1-CG2 4.24Å; I724-V778 HydrophobicContact CG2-CG2 4.49Å; Y757-V778 HydrophobicContact CD1-CB 3.49Å; Y757-V778 VanDerWaalsContact CD1-CB 3.49Å; Y757-V778 HydrophobicContact CD1-CG1 3.7Å; Y757-V778 HydrophobicContact CD1-CG2 3.91Å; Y757-V778 HydrophobicContact CE1-CB 3.9Å; Y757-V778 HydrophobicContact CE1-CG1 3.88Å; Y757-V778 HydrophobicContact CE1-CG2 3.88Å; Y757-V778 HydrophobicContact CG-CB 3.92Å; Y757-V778 HydrophobicContact CG-CG2 4.23Å; Y757-V778 WeakPolarHBondContact O-CB 3.08Å; Y757-V778 PolarHBondContact O-N 3.05Å
779	L	92.3	Very high	92.1	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.037	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-33.5	-179.6	-58	-169.5	0	0	0	112.2	T81 L692 L695 F696 V700 Y723 V725 N777	T81-L779 HydrophobicContact CG2-CB 4.48Å; T81-L779 HydrophobicContact CG2-CD2 3.56Å; L692-L779 HydrophobicContact CD2-CD2 4.42Å; L695-L779 HydrophobicContact CD2-CD1 3.82Å; F696-L779 HydrophobicContact CD2-CB 4.13Å; F696-L779 WeakPolarHBondContact CE2-O 3.48Å; V700-L779 HydrophobicContact CG2-CD1 4.32Å; Y723-L779 HydrophobicContact CD1-CB 4.21Å; Y723-L779 HydrophobicContact CD1-CD1 3.97Å; Y723-L779 HydrophobicContact CD1-CG 4.23Å; Y723-L779 HydrophobicContact CE1-CD1 3.97Å; Y723-L779 PolarHBondContact O-N 3.09Å; V725-L779 HydrophobicContact CG2-CD1 3.54Å; V725-L779 HydrophobicContact CG2-CD2 4.34Å; V725-L779 HydrophobicContact CG2-CG 3.85Å; N777-L779 VanDerWaalsContact ND2-CD2 3.34Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.39Å; N777-L779 PolarHBondContact O-N 3.4Å
780	Y	93	Very high	92.5	Very high	78 Å²	78	26 Å²	26	31%	0.306	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	140.9	179.7	179.2	-93.8	0	0	0	109.3	V700 I704 L721 A722 Y723	V700-Y780 HydrophobicContact CG1-CG 4.24Å; I704-Y780 HydrophobicContact CD1-CD1 4.07Å; I704-Y780 HydrophobicContact CD1-CD2 3.84Å; I704-Y780 HydrophobicContact CD1-CE1 3.94Å; I704-Y780 HydrophobicContact CD1-CE2 3.69Å; I704-Y780 HydrophobicContact CD1-CG 4.02Å; I704-Y780 HydrophobicContact CG1-CE1 4.3Å; L721-Y780 HydrophobicContact CB-CD1 4.34Å; L721-Y780 HydrophobicContact CB-CE1 4.11Å; L721-Y780 HydrophobicContact CD2-CD1 4.01Å; L721-Y780 HydrophobicContact CD2-CE1 4.17Å; L721-Y780 HydrophobicContact CG-CD1 4.13Å; L721-Y780 HydrophobicContact CG-CE1 4.35Å; A722-Y780 CarbonylContact C-O 3.56Å; A722-Y780 WeakPolarHBondContact CA-O 3.42Å; Y723-Y780 PolarHBondContact N-O 3.41Å
781	S	92.6	Very high	92.9	Very high	40 Å²	40	25.2 Å²	25.2	28%	0.28	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	120.3	175.7	174.8	0	0	0	0	111.7	L721	L721-S781 CarbonylContact O-C 3.49Å; L721-S781 VanDerWaalsContact O-CA 3.3Å; L721-S781 WeakPolarHBondContact O-CA 3.34Å
782	S	93.6	Very high	93.2	Very high	43 Å²	43	28.3 Å²	28.3	30%	0.301	17%	0.168	S	C	.	.			trans	-114.9	19.4	166.4	59.7	0	0	0	0	112.3	L721 G784	L721-S782 PolarHBondContact N-OG 3.48Å; L721-S782 PolarHBondContact O-N 2.99Å; L721-S782 PolarHBondContact O-OG 3.28Å; S782-G784 PolarHBondContact O-N 3.44Å
783	M	89	Confident	93.5	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.02	16%	0.161	C	C	.	.	S	Bend	trans	-72.5	-21.2	-174.5	-72.2	-71	-70.9	0	0	115.1	R679 V681 Q720 A722 L785	R679-M783 HydrophobicContact CB-CE 4.02Å; R679-M783 HydrophobicContact CB-SD 4.06Å; R679-M783 HydrophobicContact CG-CE 4.4Å; R679-M783 HydrophobicContact CG-SD 4.49Å; V681-M783 HydrophobicContact CG2-CE 3.83Å; V681-M783 HydrophobicContact CG2-SD 4.37Å; Q720-M783 HydrophobicContact CB-SD 3.82Å; A722-M783 HydrophobicContact CB-CG 3.56Å; M783-L785 HydrophobicContact CB-CB 4.32Å; M783-L785 HydrophobicContact CB-CD1 4.37Å; M783-L785 HydrophobicContact CB-CG 4.14Å; M783-L785 HydrophobicContact CE-CD1 3.69Å; M783-L785 HydrophobicContact CE-CG 4.45Å; M783-L785 PolarHBondContact O-N 3.13Å; M783-L785 VanDerWaalsContact O-N 3.16Å
784	G	86.8	Confident	93.7	Very high	79 Å²	79	27.3 Å²	27.3	81%	0.814	16%	0.16	S	C	*	.			trans	61.1	18.4	-171.7	0	0	0	0	0	114.1	S782	S782-G784 PolarHBondContact O-N 3.44Å
785	L	89.9	Confident	93.8	Very high	34 Å²	34	27.6 Å²	27.6	18%	0.178	16%	0.162	C	C	.	.			trans	-92.8	136.6	176.8	-68.6	179.9	0	0	0	110.4	L605 M783 K789 M790	L605-L785 HydrophobicContact CD1-CD1 4.18Å; L605-L785 HydrophobicContact CD2-CD2 4.44Å; M783-L785 HydrophobicContact CB-CB 4.32Å; M783-L785 HydrophobicContact CB-CD1 4.37Å; M783-L785 HydrophobicContact CB-CG 4.14Å; M783-L785 HydrophobicContact CE-CD1 3.69Å; M783-L785 HydrophobicContact CE-CG 4.45Å; M783-L785 PolarHBondContact O-N 3.13Å; M783-L785 VanDerWaalsContact O-N 3.16Å; L785-K789 HydrophobicContact CB-CB 4.23Å; L785-K789 HydrophobicContact CD2-CB 4.32Å; L785-K789 HydrophobicContact CD2-CD 4.03Å; L785-M790 HydrophobicContact CB-CG 3.91Å; L785-M790 HydrophobicContact CB-SD 3.93Å; L785-M790 HydrophobicContact CD1-SD 3.76Å; L785-M790 HydrophobicContact CG-SD 4.44Å
786	S	92.6	Very high	93.9	Very high	36 Å²	36	28 Å²	28	25%	0.252	16%	0.162	S	C	.	.			trans	-62.2	155.1	171.4	56.5	0	0	0	0	111.2	E788 K789 M790	S786-E788 VanDerWaalsContact C-N 3.28Å; S786-E788 PolarHBondContact O-N 3.43Å; S786-E788 WeakPolarHBondContact OG-CG 3.3Å; S786-E788 PolarHBondContact OG-OE1 3.01Å; S786-K789 WeakPolarHBondContact O-CB 3.37Å; S786-K789 PolarHBondContact O-N 2.86Å; S786-K789 WeakPolarHBondContact OG-CD 3.32Å; S786-K789 WeakPolarHBondContact OG-CG 3.12Å; S786-M790 PolarHBondContact O-N 3.48Å; S786-M790 VanDerWaalsContact O-N 3.1Å
787	P	93	Very high	94	Very high	15 Å²	15	28 Å²	28	10%	0.097	16%	0.162	C	C	.	.	H	α-helix	trans	-52.8	-41.8	179.2	-28.2	34.9	0	0	0	114.4	L86 K89 Y757 K789 M790 Q791	L86-P787 HydrophobicContact CD1-CG 4.22Å; K89-P787 VanDerWaalsContact O-CB 3.3Å; K89-P787 WeakPolarHBondContact O-CB 3.43Å; Y757-P787 HydrophobicContact CE2-CB 4.11Å; Y757-P787 HydrophobicContact CE2-CG 4.22Å; Y757-P787 VanDerWaalsContact OH-CA 3.24Å; Y757-P787 WeakPolarHBondContact OH-CA 3.48Å; P787-K789 VanDerWaalsContact C-N 3.32Å; P787-K789 PolarHBondContact O-N 2.8Å; P787-M790 PolarHBondContact O-N 3.45Å; P787-Q791 WeakPolarHBondContact O-CB 3.49Å; P787-Q791 VanDerWaalsContact O-CD 3.28Å; P787-Q791 WeakPolarHBondContact O-CG 3.49Å; P787-Q791 PolarHBondContact O-N 2.83Å; P787-Q791 PolarHBondContact O-OE1 2.6Å
788	E	93	Very high	94.2	Very high	35 Å²	35	27.8 Å²	27.8	16%	0.164	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-37.5	176.4	71.9	-152.3	166.6	0	0	113.2	T92 D93 S786 Q791 K792	T92-E788 PolarHBondContact N-OE2 3.2Å; T92-E788 PolarHBondContact OG1-OE2 3.42Å; D93-E788 HydrophobicContact CB-CB 4.44Å; S786-E788 VanDerWaalsContact C-N 3.28Å; S786-E788 PolarHBondContact O-N 3.43Å; S786-E788 WeakPolarHBondContact OG-CG 3.3Å; S786-E788 PolarHBondContact OG-OE1 3.01Å; E788-Q791 PolarHBondContact O-N 2.66Å; E788-K792 VanDerWaalsContact O-CB 3.22Å; E788-K792 WeakPolarHBondContact O-CB 3.5Å; E788-K792 PolarHBondContact O-N 3.19Å
789	K	94.4	Very high	94.4	Very high	109 Å²	109	27.7 Å²	27.7	47%	0.474	16%	0.16	S	C	.	.	H	α-helix	trans	-70	-41	178.9	-71.6	177	-175.3	176.1	0	110	L785 S786 P787 K792 L793	L785-K789 HydrophobicContact CB-CB 4.23Å; L785-K789 HydrophobicContact CD2-CB 4.32Å; L785-K789 HydrophobicContact CD2-CD 4.03Å; S786-K789 WeakPolarHBondContact O-CB 3.37Å; S786-K789 PolarHBondContact O-N 2.86Å; S786-K789 WeakPolarHBondContact OG-CD 3.32Å; S786-K789 WeakPolarHBondContact OG-CG 3.12Å; P787-K789 VanDerWaalsContact C-N 3.32Å; P787-K789 PolarHBondContact O-N 2.8Å; K789-K792 PolarHBondContact O-N 3.39Å; K789-L793 VanDerWaalsContact O-CB 3.25Å; K789-L793 WeakPolarHBondContact O-CB 3.4Å; K789-L793 PolarHBondContact O-N 2.96Å
790	M	95.1	Very high	94.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-43.7	174.3	-72.4	-62	-67.2	0	0	112.1	A722 I724 L785 S786 P787 T794	A722-M790 HydrophobicContact CB-CE 3.62Å; I724-M790 HydrophobicContact CD1-CE 3.6Å; I724-M790 HydrophobicContact CG1-CE 4.49Å; L785-M790 HydrophobicContact CB-CG 3.91Å; L785-M790 HydrophobicContact CB-SD 3.93Å; L785-M790 HydrophobicContact CD1-SD 3.76Å; L785-M790 HydrophobicContact CG-SD 4.44Å; S786-M790 PolarHBondContact O-N 3.48Å; S786-M790 VanDerWaalsContact O-N 3.1Å; P787-M790 PolarHBondContact O-N 3.45Å; M790-T794 WeakPolarHBondContact O-CB 3.18Å; M790-T794 PolarHBondContact O-N 3.2Å; M790-T794 PolarHBondContact O-OG1 3.44Å
791	Q	96.9	Very high	94.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-45.6	176.8	-73.7	162.2	-3.5	0	0	111.9	I746 D748 F759 P787 E788 T794 Y795	I746-Q791 HydrophobicContact CD1-CB 3.69Å; I746-Q791 HydrophobicContact CD1-CG 4.18Å; D748-Q791 PolarHBondContact OD2-NE2 3.47Å; F759-Q791 HydrophobicContact CD1-CG 3.85Å; F759-Q791 HydrophobicContact CD2-CG 3.8Å; F759-Q791 HydrophobicContact CE1-CG 3.87Å; F759-Q791 HydrophobicContact CE2-CB 4.37Å; F759-Q791 HydrophobicContact CE2-CG 3.82Å; F759-Q791 HydrophobicContact CG-CG 3.81Å; F759-Q791 HydrophobicContact CZ-CB 4.46Å; F759-Q791 HydrophobicContact CZ-CG 3.85Å; P787-Q791 WeakPolarHBondContact O-CB 3.49Å; P787-Q791 VanDerWaalsContact O-CD 3.28Å; P787-Q791 WeakPolarHBondContact O-CG 3.49Å; P787-Q791 PolarHBondContact O-N 2.83Å; P787-Q791 PolarHBondContact O-OE1 2.6Å; E788-Q791 PolarHBondContact O-N 2.66Å; Q791-T794 WeakPolarHBondContact O-CB 3.41Å; Q791-T794 PolarHBondContact O-N 2.88Å; Q791-Y795 PolarHBondContact O-N 2.92Å
792	K	96.4	Very high	95.1	Very high	68 Å²	68	23 Å²	23	30%	0.296	14%	0.135	S	C	.	.	H	α-helix	trans	-65.1	-41.4	176.5	-174.8	164.5	64.4	-162.8	0	112.2	D93 I438 E788 K789 T794 Y795 K796	D93-K792 IonicContact OD2-NZ 2.69Å; D93-K792 PolarHBondContact OD2-NZ 3.45Å; I438-K792 HydrophobicContact CD1-CB 4.4Å; I438-K792 HydrophobicContact CG2-CG 4.49Å; E788-K792 VanDerWaalsContact O-CB 3.22Å; E788-K792 WeakPolarHBondContact O-CB 3.5Å; E788-K792 PolarHBondContact O-N 3.19Å; K789-K792 PolarHBondContact O-N 3.39Å; K792-T794 VanDerWaalsContact C-N 3.35Å; K792-Y795 PolarHBondContact O-N 3.31Å; K792-K796 WeakPolarHBondContact O-CG 3.47Å; K792-K796 PolarHBondContact O-N 2.98Å
793	L	96.9	Very high	95.2	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-58.5	-48.6	172.1	176.7	60.2	0	0	0	110.6	L603 L605 L608 V681 K789 Y795 K796 M797	L603-L793 HydrophobicContact CD1-CD1 3.5Å; L605-L793 HydrophobicContact CD1-CD1 4.23Å; L605-L793 HydrophobicContact CD1-CD2 3.91Å; L608-L793 HydrophobicContact CD2-CD1 4.06Å; L608-L793 HydrophobicContact CD2-CD2 4.25Å; V681-L793 HydrophobicContact CG2-CD2 4.02Å; K789-L793 VanDerWaalsContact O-CB 3.25Å; K789-L793 WeakPolarHBondContact O-CB 3.4Å; K789-L793 PolarHBondContact O-N 2.96Å; L793-Y795 VanDerWaalsContact C-N 3.3Å; L793-Y795 PolarHBondContact O-N 3.41Å; L793-K796 WeakPolarHBondContact O-CB 3.29Å; L793-K796 PolarHBondContact O-N 3.22Å; L793-K796 VanDerWaalsContact O-N 3.15Å; L793-M797 HydrophobicContact CD1-CG 4.3Å; L793-M797 HydrophobicContact CD1-SD 4.38Å; L793-M797 WeakPolarHBondContact O-CG 3.48Å; L793-M797 PolarHBondContact O-N 3.47Å
794	T	97.9	Very high	95.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58	-43	177.6	-57.9	0	0	0	0	111.7	Y683 F759 L761 Y776 M790 Q791 K792 M797 C798 P811	Y683-T794 HydrophobicContact CE1-CG2 3.99Å; Y683-T794 VanDerWaalsContact OH-CA 3.25Å; Y683-T794 WeakPolarHBondContact OH-CA 3.47Å; Y683-T794 WeakPolarHBondContact OH-CB 3.46Å; Y683-T794 PolarHBondContact OH-OG1 3.09Å; F759-T794 HydrophobicContact CZ-CG2 4.36Å; L761-T794 HydrophobicContact CD2-CG2 4.18Å; Y776-T794 HydrophobicContact CD1-CG2 3.64Å; Y776-T794 HydrophobicContact CD2-CG2 4.4Å; Y776-T794 HydrophobicContact CE1-CG2 3.26Å; Y776-T794 HydrophobicContact CE2-CG2 4.11Å; Y776-T794 HydrophobicContact CG-CG2 4.19Å; M790-T794 WeakPolarHBondContact O-CB 3.18Å; M790-T794 PolarHBondContact O-N 3.2Å; M790-T794 PolarHBondContact O-OG1 3.44Å; Q791-T794 WeakPolarHBondContact O-CB 3.41Å; Q791-T794 PolarHBondContact O-N 2.88Å; K792-T794 VanDerWaalsContact C-N 3.35Å; T794-M797 PolarHBondContact O-N 2.97Å; T794-C798 PolarHBondContact O-N 3.29Å; T794-C798 PolarHBondContact O-SG 3.13Å; T794-C798 VanDerWaalsContact O-SG 3.38Å; T794-P811 HydrophobicContact CG2-CG 4.23Å
795	Y	97.9	Very high	95.8	Very high	8 Å²	8	25 Å²	25	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-43.3	175.6	-172.8	-130.2	0	0	0	112.5	I438 Q441 P743 G744 L761 Q791 K792 L793 M797 C798 H799 T807	I438-Y795 HydrophobicContact CB-CD1 4.09Å; I438-Y795 HydrophobicContact CB-CE1 4.36Å; I438-Y795 HydrophobicContact CD1-CD1 4.31Å; I438-Y795 HydrophobicContact CD1-CG 4.43Å; I438-Y795 HydrophobicContact CG2-CD1 3.93Å; I438-Y795 HydrophobicContact CG2-CE1 4.36Å; Q441-Y795 HydrophobicContact CG-CD1 4Å; Q441-Y795 HydrophobicContact CG-CE1 3.98Å; P743-Y795 VanDerWaalsContact C-OH 3.31Å; P743-Y795 WeakPolarHBondContact CB-OH 3.37Å; G744-Y795 PolarHBondContact N-OH 3.09Å; L761-Y795 HydrophobicContact CD1-CD2 3.97Å; L761-Y795 HydrophobicContact CD1-CG 4.41Å; L761-Y795 HydrophobicContact CD2-CD2 4.18Å; Q791-Y795 PolarHBondContact O-N 2.92Å; K792-Y795 PolarHBondContact O-N 3.31Å; L793-Y795 VanDerWaalsContact C-N 3.3Å; L793-Y795 PolarHBondContact O-N 3.41Å; Y795-M797 VanDerWaalsContact C-N 3.31Å; Y795-M797 PolarHBondContact O-N 3.49Å; Y795-C798 WeakPolarHBondContact O-CB 3.34Å; Y795-C798 PolarHBondContact O-N 3.16Å; Y795-H799 AromaticContact CD1-CE1 3.9Å; Y795-H799 AromaticContact CE1-CE1 3.7Å; Y795-H799 AromaticContact CE2-CE1 3.78Å; Y795-H799 AromaticContact CZ-CE1 3.63Å; Y795-H799 PolarHBondContact O-CE1 2.9Å; Y795-H799 VanDerWaalsContact O-CE1 3.26Å; Y795-H799 PolarHBondContact O-ND1 2.84Å; Y795-T807 HydrophobicContact CE2-CG2 4.14Å
796	K	97.5	Very high	96	Very high	19 Å²	19	23.4 Å²	23.4	8%	0.083	11%	0.11	C	C	.	.	H	α-helix	trans	-56.5	-43.9	173.2	-75.4	176.4	177.3	-69.6	0	111.8	Q441 I601 E602 K792 L793 C798 H799	Q441-K796 HydrophobicContact CG-CG 4.43Å; Q441-K796 VanDerWaalsContact OE1-CG 3.3Å; I601-K796 HydrophobicContact CG1-CB 4.07Å; I601-K796 HydrophobicContact CG1-CD 4.45Å; I601-K796 HydrophobicContact CG1-CG 3.96Å; I601-K796 HydrophobicContact CG2-CB 4.34Å; E602-K796 WeakPolarHBondContact O-CD 3.47Å; E602-K796 VanDerWaalsContact O-CE 3.3Å; E602-K796 WeakPolarHBondContact O-CE 3.1Å; E602-K796 PolarHBondContact O-NZ 2.81Å; K792-K796 WeakPolarHBondContact O-CG 3.47Å; K792-K796 PolarHBondContact O-N 2.98Å; L793-K796 WeakPolarHBondContact O-CB 3.29Å; L793-K796 PolarHBondContact O-N 3.22Å; L793-K796 VanDerWaalsContact O-N 3.15Å; K796-C798 PolarHBondContact O-N 2.9Å; K796-C798 VanDerWaalsContact O-N 3.16Å; K796-H799 WeakPolarHBondContact O-CB 3.31Å; K796-H799 PolarHBondContact O-N 2.84Å; K796-H799 PolarHBondContact O-ND1 2.79Å
797	M	97.9	Very high	96.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-20.3	178.2	-62.7	-45.7	-71.2	0	0	113.6	T610 L635 Y683 L793 T794 Y795 H799 L800 P811 A812	T610-M797 HydrophobicContact CG2-CE 3.77Å; T610-M797 HydrophobicContact CG2-CG 4.43Å; L635-M797 HydrophobicContact CD1-CE 3.7Å; L635-M797 HydrophobicContact CD1-SD 4.34Å; Y683-M797 HydrophobicContact CE2-CG 4.37Å; L793-M797 HydrophobicContact CD1-CG 4.3Å; L793-M797 HydrophobicContact CD1-SD 4.38Å; L793-M797 WeakPolarHBondContact O-CG 3.48Å; L793-M797 PolarHBondContact O-N 3.47Å; T794-M797 PolarHBondContact O-N 2.97Å; Y795-M797 VanDerWaalsContact C-N 3.31Å; Y795-M797 PolarHBondContact O-N 3.49Å; M797-H799 PolarHBondContact O-N 2.89Å; M797-L800 HydrophobicContact CE-CD1 3.91Å; M797-L800 HydrophobicContact SD-CD1 4.01Å; M797-P811 HydrophobicContact CB-CB 3.94Å; M797-A812 VanDerWaalsContact O-CB 3.31Å; M797-A812 WeakPolarHBondContact O-CB 3.49Å; M797-A812 PolarHBondContact O-N 2.84Å
798	C	97.9	Very high	96.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.4	173	-66	0	0	0	0	114.2	T794 Y795 K796 T807 T808 V810	T794-C798 PolarHBondContact O-N 3.29Å; T794-C798 PolarHBondContact O-SG 3.13Å; T794-C798 VanDerWaalsContact O-SG 3.38Å; Y795-C798 WeakPolarHBondContact O-CB 3.34Å; Y795-C798 PolarHBondContact O-N 3.16Å; K796-C798 PolarHBondContact O-N 2.9Å; K796-C798 VanDerWaalsContact O-N 3.16Å; C798-T807 WeakPolarHBondContact O-CA 3.49Å; C798-T808 WeakPolarHBondContact CB-O 3.38Å; C798-T808 PolarHBondContact O-N 3.17Å; C798-T808 PolarHBondContact O-OG1 2.96Å; C798-V810 VanDerWaalsContact SG-C 3.59Å
799	H	97.8	Very high	96.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-5.3	179.9	-62.9	71.9	0	0	0	113.3	I443 W458 W599 Y795 K796 M797 T807	I443-H799 HydrophobicContact CD1-CB 4.23Å; W458-H799 HydrophobicContact CH2-CB 3.88Å; W458-H799 AromaticContact CH2-CD2 3.8Å; W458-H799 WeakPolarHBondContact CZ2-O 3.33Å; W458-H799 AromaticContact CZ3-CD2 3.65Å; W599-H799 PolarHBondContact NE1-O 2.93Å; Y795-H799 AromaticContact CD1-CE1 3.9Å; Y795-H799 AromaticContact CE1-CE1 3.7Å; Y795-H799 AromaticContact CE2-CE1 3.78Å; Y795-H799 AromaticContact CZ-CE1 3.63Å; Y795-H799 PolarHBondContact O-CE1 2.9Å; Y795-H799 VanDerWaalsContact O-CE1 3.26Å; Y795-H799 PolarHBondContact O-ND1 2.84Å; K796-H799 WeakPolarHBondContact O-CB 3.31Å; K796-H799 PolarHBondContact O-N 2.84Å; K796-H799 PolarHBondContact O-ND1 2.79Å; M797-H799 PolarHBondContact O-N 2.89Å; H799-T807 VanDerWaalsContact CD2-CG2 3.48Å; H799-T807 WeakPolarHBondContact CD2-CG2 2.98Å; H799-T807 VanDerWaalsContact CE1-CG2 3.44Å; H799-T807 WeakPolarHBondContact CE1-CG2 3.46Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.38Å
800	L	97.6	Very high	96.5	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.074	C	C	.	.			trans	-103.3	17.5	-166.9	-64	175.9	0	0	0	114.5	M600 I601 L635 M797 A812 Y816	M600-L800 HydrophobicContact CE-CD1 4.11Å; M600-L800 HydrophobicContact CE-CD2 4.25Å; M600-L800 HydrophobicContact SD-CD2 3.77Å; I601-L800 HydrophobicContact CB-CD2 4.09Å; I601-L800 HydrophobicContact CG2-CD1 3.88Å; I601-L800 HydrophobicContact CG2-CD2 3.91Å; I601-L800 HydrophobicContact CG2-CG 4.07Å; L635-L800 HydrophobicContact CD1-CD1 3.9Å; M797-L800 HydrophobicContact CE-CD1 3.91Å; M797-L800 HydrophobicContact SD-CD1 4.01Å; L800-A812 HydrophobicContact CB-CB 3.7Å; L800-A812 WeakPolarHBondContact O-CB 3.35Å; L800-Y816 WeakPolarHBondContact O-CE2 3.5Å; L800-Y816 PolarHBondContact O-OH 2.93Å
801	Y	97.9	Very high	96.7	Very high	22 Å²	22	17 Å²	17	9%	0.086	7%	0.074	C	C	.	.			trans	-92.3	103	176.9	-178.8	-109.7	0	0	0	111.3	N803 W804 T808 Q815 Y816 L843	Y801-N803 VanDerWaalsContact C-N 3.29Å; Y801-N803 HydrophobicContact CD1-CB 4.24Å; Y801-N803 HydrophobicContact CE1-CB 3.5Å; Y801-N803 VanDerWaalsContact CE1-CB 3.5Å; Y801-N803 HydrophobicContact CE2-CB 4.42Å; Y801-N803 PolarHBondContact O-N 2.97Å; Y801-N803 VanDerWaalsContact O-N 3.17Å; Y801-W804 HydrophobicContact CD1-CB 3.8Å; Y801-W804 HydrophobicContact CE1-CB 4.26Å; Y801-W804 PolarHBondContact O-N 3.12Å; Y801-T808 HydrophobicContact CD1-CG2 3.56Å; Y801-T808 HydrophobicContact CG-CG2 3.9Å; Y801-Q815 HydrophobicContact CD1-CG 4.06Å; Y801-Q815 HydrophobicContact CD2-CB 3.87Å; Y801-Q815 HydrophobicContact CD2-CG 3.64Å; Y801-Q815 HydrophobicContact CE1-CG 3.96Å; Y801-Q815 HydrophobicContact CE2-CB 4.14Å; Y801-Q815 HydrophobicContact CE2-CG 3.55Å; Y801-Q815 HydrophobicContact CG-CB 4.27Å; Y801-Q815 HydrophobicContact CG-CG 3.9Å; Y801-Y816 WeakPolarHBondContact CA-OH 3.33Å; Y801-Y816 AromaticContact CD2-CD1 3.6Å; Y801-Y816 HydrophobicContact CD2-CD1 3.6Å; Y801-Y816 AromaticContact CD2-CE1 3.38Å; Y801-Y816 HydrophobicContact CD2-CE1 3.38Å; Y801-Y816 HydrophobicContact CD2-CE2 4.45Å; Y801-Y816 HydrophobicContact CD2-CG 4.23Å; Y801-Y816 AromaticContact CD2-CZ 3.85Å; Y801-Y816 AromaticContact CE2-CD1 3.6Å; Y801-Y816 HydrophobicContact CE2-CD1 3.6Å; Y801-Y816 AromaticContact CE2-CE1 3.65Å; Y801-Y816 HydrophobicContact CE2-CE1 3.65Å; Y801-Y816 HydrophobicContact CE2-CG 4.47Å; Y801-Y816 HydrophobicContact CG-CE1 4.44Å; Y801-L843 HydrophobicContact CE2-CD2 3.98Å
802	Y	97.3	Very high	96.7	Very high	3 Å²	3	17 Å²	17	1%	0.012	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.3	-164.1	-57.5	-38.5	0	0	0	115.8	C592 T597 P598 W599 Y641 W804 Y816 F840	C592-Y802 WeakPolarHBondContact SG-CB 3.32Å; T597-Y802 HydrophobicContact CG2-CE1 4.27Å; T597-Y802 HydrophobicContact CG2-CE2 3.93Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.45Å; P598-Y802 HydrophobicContact CG-CD1 4.45Å; P598-Y802 HydrophobicContact CG-CD2 4.46Å; P598-Y802 HydrophobicContact CG-CG 4.13Å; W599-Y802 AromaticContact CD2-CD1 3.84Å; W599-Y802 HydrophobicContact CD2-CD1 3.84Å; W599-Y802 HydrophobicContact CD2-CE1 4.18Å; W599-Y802 AromaticContact CE2-CD1 3.62Å; W599-Y802 HydrophobicContact CE3-CD1 4.12Å; W599-Y802 HydrophobicContact CG-CD1 4.48Å; W599-Y802 HydrophobicContact CG-CE1 4.35Å; W599-Y802 VanDerWaalsContact CH2-CA 3.48Å; W599-Y802 HydrophobicContact CH2-CD1 4.13Å; W599-Y802 WeakPolarHBondContact CH2-O 3.47Å; W599-Y802 AromaticContact CZ2-CD1 3.79Å; W599-Y802 HydrophobicContact CZ2-CD1 3.79Å; W599-Y802 HydrophobicContact CZ3-CD1 4.26Å; W599-Y802 AromaticContact NE1-CE1 4Å; W599-Y802 VanDerWaalsContact O-CE1 3.29Å; W599-Y802 WeakPolarHBondContact O-CE1 3.43Å; W599-Y802 PolarHBondContact O-OH 3.28Å; Y641-Y802 HydrophobicContact CE2-CE2 4.22Å; Y802-W804 PolarHBondContact O-N 3.32Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.22Å; Y802-Y816 VanDerWaalsContact CG-OH 3.25Å; Y802-Y816 PolarHBondContact N-OH 3.16Å; Y802-F840 HydrophobicContact CD2-CD2 4.49Å; Y802-F840 AromaticContact CD2-CE2 3.88Å; Y802-F840 HydrophobicContact CD2-CE2 3.88Å; Y802-F840 AromaticContact CD2-CZ 3.9Å; Y802-F840 HydrophobicContact CD2-CZ 3.9Å; Y802-F840 AromaticContact CE2-CE2 3.78Å; Y802-F840 HydrophobicContact CE2-CE2 3.78Å; Y802-F840 AromaticContact CE2-CZ 3.71Å; Y802-F840 HydrophobicContact CE2-CZ 3.71Å
803	N	95.3	Very high	96.8	Very high	54 Å²	54	13.8 Å²	13.8	29%	0.289	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-4.7	172.4	-95.4	11	0	0	0	113.2	Y801 L843	Y801-N803 VanDerWaalsContact C-N 3.29Å; Y801-N803 HydrophobicContact CD1-CB 4.24Å; Y801-N803 HydrophobicContact CE1-CB 3.5Å; Y801-N803 VanDerWaalsContact CE1-CB 3.5Å; Y801-N803 HydrophobicContact CE2-CB 4.42Å; Y801-N803 PolarHBondContact O-N 2.97Å; Y801-N803 VanDerWaalsContact O-N 3.17Å; N803-L843 HydrophobicContact CB-CD2 4.39Å
804	W	94.9	Very high	96.8	Very high	104 Å²	104	13.4 Å²	13.4	39%	0.394	6%	0.059	S	C	.	.	S	Bend	trans	-137.6	115.4	179.5	-174	-105.2	0	0	0	110.3	W599 Y801 Y802 G806 T807 T808	W599-W804 WeakPolarHBondContact CZ2-O 3.24Å; Y801-W804 HydrophobicContact CD1-CB 3.8Å; Y801-W804 HydrophobicContact CE1-CB 4.26Å; Y801-W804 PolarHBondContact O-N 3.12Å; Y802-W804 PolarHBondContact O-N 3.32Å; W804-G806 VanDerWaalsContact CD1-C 3.47Å; W804-G806 VanDerWaalsContact CD1-O 3.28Å; W804-G806 PolarHBondContact O-N 2.91Å; W804-T807 PolarHBondContact NE1-O 3.46Å; W804-T808 HydrophobicContact CB-CG2 4.25Å; W804-T808 HydrophobicContact CG-CG2 4.45Å
805	S	92.8	Very high	96.8	Very high	11 Å²	11	15.4 Å²	15.4	8%	0.077	7%	0.068	C	C	.	.	S	Bend	trans	-78.2	53	179.4	54.7	0	0	0	0	112.2	W458 Q459	W458-S805 PolarHBondContact N-O 3.21Å; Q459-S805 VanDerWaalsContact CB-OG 3.23Å; Q459-S805 WeakPolarHBondContact CB-OG 3.37Å; Q459-S805 WeakPolarHBondContact CG-OG 3.26Å
806	G	95.2	Very high	96.8	Very high	1 Å²	1	15 Å²	15	1%	0.01	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-172.5	-178.3	-177.5	0	0	0	0	0	110.3	A456 W458 W804	A456-G806 CarbonylContact O-C 3.58Å; A456-G806 WeakPolarHBondContact O-CA 3.48Å; W458-G806 VanDerWaalsContact CH2-CA 3.4Å; W458-G806 WeakPolarHBondContact CH2-O 3.24Å; W804-G806 VanDerWaalsContact CD1-C 3.47Å; W804-G806 VanDerWaalsContact CD1-O 3.28Å; W804-G806 PolarHBondContact O-N 2.91Å
807	T	96.5	Very high	96.8	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.012	6%	0.062	C	C	.	.			trans	-72.1	140.8	174.7	47.5	0	0	0	0	112.6	A456 S763 Y795 C798 H799 W804	A456-T807 HydrophobicContact CB-CG2 3.76Å; A456-T807 WeakPolarHBondContact CB-OG1 3.35Å; A456-T807 PolarHBondContact O-N 3.47Å; A456-T807 VanDerWaalsContact O-N 3.11Å; S763-T807 WeakPolarHBondContact O-CB 3.43Å; S763-T807 PolarHBondContact O-OG1 3.26Å; Y795-T807 HydrophobicContact CE2-CG2 4.14Å; C798-T807 WeakPolarHBondContact O-CA 3.49Å; H799-T807 VanDerWaalsContact CD2-CG2 3.48Å; H799-T807 WeakPolarHBondContact CD2-CG2 2.98Å; H799-T807 VanDerWaalsContact CE1-CG2 3.44Å; H799-T807 WeakPolarHBondContact CE1-CG2 3.46Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.38Å; W804-T807 PolarHBondContact NE1-O 3.46Å
808	T	96.1	Very high	96.7	Very high	7 Å²	7	17.3 Å²	17.3	4%	0.043	8%	0.076	C	C	.	.			trans	-98.7	156.2	171.7	50.5	0	0	0	0	112.2	S763 C798 Y801 W804 V810	S763-T808 WeakPolarHBondContact CB-O 3.16Å; S763-T808 PolarHBondContact OG-O 3.49Å; C798-T808 WeakPolarHBondContact CB-O 3.38Å; C798-T808 PolarHBondContact O-N 3.17Å; C798-T808 PolarHBondContact O-OG1 2.96Å; Y801-T808 HydrophobicContact CD1-CG2 3.56Å; Y801-T808 HydrophobicContact CG-CG2 3.9Å; W804-T808 HydrophobicContact CB-CG2 4.25Å; W804-T808 HydrophobicContact CG-CG2 4.45Å; T808-V810 PolarHBondContact O-N 3.43Å; T808-V810 PolarHBondContact OG1-O 2.84Å
809	R	94.3	Very high	96.7	Very high	51 Å²	51	20 Å²	20	19%	0.192	9%	0.088	C	C	.	.	S	Bend	trans	-60.7	-27.7	-178.9	-177.5	170	-179	-170.3	-2	114.4	S729 S763 Q764 S772 P773 T774	S729-R809 PolarHBondContact O-NH2 3.3Å; S763-R809 WeakPolarHBondContact OG-CA 3.18Å; S763-R809 PolarHBondContact OG-O 2.74Å; Q764-R809 HydrophobicContact CB-CB 4.34Å; S772-R809 PolarHBondContact O-NE 3.43Å; S772-R809 VanDerWaalsContact O-NE 3.09Å; S772-R809 PolarHBondContact O-NH2 2.99Å; P773-R809 PolarHBondContact O-NH2 3.44Å; T774-R809 WeakPolarHBondContact CB-O 3.41Å; T774-R809 VanDerWaalsContact OG1-CG 3.22Å; T774-R809 WeakPolarHBondContact OG1-CG 3.28Å; T774-R809 PolarHBondContact OG1-O 3.34Å
810	V	96.6	Very high	96.7	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-127.6	163.1	178.8	-61.2	0	0	0	0	109	V726 R728 T774 C798 T808 C814 Q815	V726-V810 HydrophobicContact CG1-CB 4.23Å; V726-V810 HydrophobicContact CG1-CG1 3.78Å; R728-V810 HydrophobicContact CG-CG1 4.43Å; T774-V810 HydrophobicContact CG2-CG1 4.2Å; C798-V810 VanDerWaalsContact SG-C 3.59Å; T808-V810 PolarHBondContact O-N 3.43Å; T808-V810 PolarHBondContact OG1-O 2.84Å; V810-C814 HydrophobicContact CB-CB 4.2Å; V810-C814 HydrophobicContact CG2-CB 3.9Å; V810-Q815 HydrophobicContact CG2-CB 4.02Å
811	P	98.1	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.088	C	C	.	.			trans	-54.2	146.8	174.6	-27.8	38.1	0	0	0	111.7	Y683 Y776 T794 M797 V813 C814 Q815	Y683-P811 HydrophobicContact CD1-CG 3.91Å; Y683-P811 HydrophobicContact CD2-CB 4Å; Y683-P811 HydrophobicContact CD2-CG 4.08Å; Y683-P811 HydrophobicContact CE1-CG 3.88Å; Y683-P811 HydrophobicContact CE2-CB 4.08Å; Y683-P811 HydrophobicContact CE2-CG 4.06Å; Y683-P811 HydrophobicContact CG-CB 4.31Å; Y683-P811 HydrophobicContact CG-CG 4.01Å; Y776-P811 HydrophobicContact CE1-CG 3.94Å; T794-P811 HydrophobicContact CG2-CG 4.23Å; M797-P811 HydrophobicContact CB-CB 3.94Å; P811-V813 VanDerWaalsContact C-N 3.27Å; P811-V813 HydrophobicContact CB-CG2 4.36Å; P811-V813 PolarHBondContact O-N 3.5Å; P811-C814 WeakPolarHBondContact O-CB 3.46Å; P811-C814 PolarHBondContact O-N 3.2Å; P811-Q815 PolarHBondContact O-N 3.22Å; P811-Q815 VanDerWaalsContact O-N 3.16Å
812	A	97.9	Very high	96.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-55	-42.2	-173.6	0	0	0	0	0	112.7	M797 L800 C814 Q815 Y816	M797-A812 VanDerWaalsContact O-CB 3.31Å; M797-A812 WeakPolarHBondContact O-CB 3.49Å; M797-A812 PolarHBondContact O-N 2.84Å; L800-A812 HydrophobicContact CB-CB 3.7Å; L800-A812 WeakPolarHBondContact O-CB 3.35Å; A812-C814 VanDerWaalsContact C-N 3.31Å; A812-C814 PolarHBondContact O-N 3.29Å; A812-Q815 PolarHBondContact O-N 2.87Å; A812-Q815 VanDerWaalsContact O-N 3.08Å; A812-Y816 HydrophobicContact CB-CD2 4.24Å; A812-Y816 HydrophobicContact CB-CE2 3.85Å; A812-Y816 WeakPolarHBondContact O-CD2 3.28Å; A812-Y816 PolarHBondContact O-N 3.36Å
813	V	98.1	Very high	96.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.7	-37	177.7	-65.4	0	0	0	0	113.1	T610 I630 Y641 Y683 P811 A817	T610-V813 HydrophobicContact CG2-CG1 4.38Å; T610-V813 HydrophobicContact CG2-CG2 3.94Å; I630-V813 HydrophobicContact CG2-CG1 4.45Å; Y641-V813 HydrophobicContact CD1-CG1 4.2Å; Y641-V813 HydrophobicContact CE1-CG1 3.78Å; Y683-V813 HydrophobicContact CD2-CG2 4Å; P811-V813 VanDerWaalsContact C-N 3.27Å; P811-V813 HydrophobicContact CB-CG2 4.36Å; P811-V813 PolarHBondContact O-N 3.5Å; V813-A817 WeakPolarHBondContact O-CB 3.39Å; V813-A817 PolarHBondContact O-N 2.94Å
814	C	97.6	Very high	96.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.9	-42.3	173.8	-64.1	0	0	0	0	111.1	Y683 D685 V810 P811 A812 Y816 A817 K818	Y683-C814 WeakPolarHBondContact CB-SG 3.32Å; D685-C814 HydrophobicContact CB-CB 4.31Å; V810-C814 HydrophobicContact CB-CB 4.2Å; V810-C814 HydrophobicContact CG2-CB 3.9Å; P811-C814 WeakPolarHBondContact O-CB 3.46Å; P811-C814 PolarHBondContact O-N 3.2Å; A812-C814 VanDerWaalsContact C-N 3.31Å; A812-C814 PolarHBondContact O-N 3.29Å; C814-Y816 VanDerWaalsContact C-N 3.35Å; C814-A817 PolarHBondContact O-N 2.88Å; C814-K818 WeakPolarHBondContact O-CB 3.25Å; C814-K818 PolarHBondContact O-N 2.97Å
815	Q	97.4	Very high	96.3	Very high	42 Å²	42	14.3 Å²	14.3	20%	0.196	7%	0.069	C	C	.	.	H	α-helix	trans	-67.7	-36.9	-179.9	-169.8	58.9	41.3	0	0	111.7	Y801 V810 P811 A812 K819	Y801-Q815 HydrophobicContact CD1-CG 4.06Å; Y801-Q815 HydrophobicContact CD2-CB 3.87Å; Y801-Q815 HydrophobicContact CD2-CG 3.64Å; Y801-Q815 HydrophobicContact CE1-CG 3.96Å; Y801-Q815 HydrophobicContact CE2-CB 4.14Å; Y801-Q815 HydrophobicContact CE2-CG 3.55Å; Y801-Q815 HydrophobicContact CG-CB 4.27Å; Y801-Q815 HydrophobicContact CG-CG 3.9Å; V810-Q815 HydrophobicContact CG2-CB 4.02Å; P811-Q815 PolarHBondContact O-N 3.22Å; P811-Q815 VanDerWaalsContact O-N 3.16Å; A812-Q815 PolarHBondContact O-N 2.87Å; A812-Q815 VanDerWaalsContact O-N 3.08Å; Q815-K819 VanDerWaalsContact O-CB 3.3Å; Q815-K819 WeakPolarHBondContact O-CB 3.32Å; Q815-K819 PolarHBondContact O-N 3.44Å
816	Y	98.4	Very high	96.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.4	-47.5	171.3	-69.2	-48.9	0	0	0	111.7	I630 Y641 L800 Y801 Y802 A812 C814 K818 K819 L820 F840 Y842 L843	I630-Y816 HydrophobicContact CG2-CD2 4.42Å; Y641-Y816 HydrophobicContact CE1-CE2 4.31Å; L800-Y816 WeakPolarHBondContact O-CE2 3.5Å; L800-Y816 PolarHBondContact O-OH 2.93Å; Y801-Y816 WeakPolarHBondContact CA-OH 3.33Å; Y801-Y816 AromaticContact CD2-CD1 3.6Å; Y801-Y816 HydrophobicContact CD2-CD1 3.6Å; Y801-Y816 AromaticContact CD2-CE1 3.38Å; Y801-Y816 HydrophobicContact CD2-CE1 3.38Å; Y801-Y816 HydrophobicContact CD2-CE2 4.45Å; Y801-Y816 HydrophobicContact CD2-CG 4.23Å; Y801-Y816 AromaticContact CD2-CZ 3.85Å; Y801-Y816 AromaticContact CE2-CD1 3.6Å; Y801-Y816 HydrophobicContact CE2-CD1 3.6Å; Y801-Y816 AromaticContact CE2-CE1 3.65Å; Y801-Y816 HydrophobicContact CE2-CE1 3.65Å; Y801-Y816 HydrophobicContact CE2-CG 4.47Å; Y801-Y816 HydrophobicContact CG-CE1 4.44Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.22Å; Y802-Y816 VanDerWaalsContact CG-OH 3.25Å; Y802-Y816 PolarHBondContact N-OH 3.16Å; A812-Y816 HydrophobicContact CB-CD2 4.24Å; A812-Y816 HydrophobicContact CB-CE2 3.85Å; A812-Y816 WeakPolarHBondContact O-CD2 3.28Å; A812-Y816 PolarHBondContact O-N 3.36Å; C814-Y816 VanDerWaalsContact C-N 3.35Å; Y816-K818 VanDerWaalsContact C-N 3.34Å; Y816-K818 PolarHBondContact O-N 3.45Å; Y816-K819 PolarHBondContact O-N 2.81Å; Y816-L820 WeakPolarHBondContact O-CB 3.47Å; Y816-L820 PolarHBondContact O-N 3.32Å; Y816-F840 HydrophobicContact CD1-CD1 4.12Å; Y816-F840 HydrophobicContact CD1-CE1 4.04Å; Y816-F840 HydrophobicContact CD2-CE1 4.07Å; Y816-F840 AromaticContact CE1-CD1 3.88Å; Y816-F840 HydrophobicContact CE1-CD1 3.88Å; Y816-F840 AromaticContact CE1-CE1 3.68Å; Y816-F840 HydrophobicContact CE1-CE1 3.68Å; Y816-F840 AromaticContact CE2-CE1 3.73Å; Y816-F840 HydrophobicContact CE2-CE1 3.73Å; Y816-F840 HydrophobicContact CE2-CZ 4.27Å; Y816-F840 HydrophobicContact CG-CE1 4.24Å; Y816-F840 AromaticContact CZ-CE1 3.52Å; Y816-Y842 AromaticContact CD1-CE2 3.92Å; Y816-Y842 HydrophobicContact CD1-CE2 3.92Å; Y816-Y842 HydrophobicContact CG-CE2 4.33Å; Y816-L843 HydrophobicContact CD1-CD2 3.88Å; Y816-L843 HydrophobicContact CE1-CD1 4.2Å; Y816-L843 HydrophobicContact CE1-CD2 3.85Å; Y816-L843 HydrophobicContact CE1-CG 4.49Å
817	A	97.1	Very high	96.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-57.6	-48	177.4	0	0	0	0	0	111	D614 A628 I630 V813 C814 K819 L820 A821	D614-A817 HydrophobicContact CB-CB 4.02Å; A628-A817 WeakPolarHBondContact CB-O 3.27Å; A628-A817 WeakPolarHBondContact O-CB 3.14Å; I630-A817 HydrophobicContact CG1-CB 3.91Å; V813-A817 WeakPolarHBondContact O-CB 3.39Å; V813-A817 PolarHBondContact O-N 2.94Å; C814-A817 PolarHBondContact O-N 2.88Å; A817-K819 PolarHBondContact O-N 3.09Å; A817-L820 PolarHBondContact O-N 2.97Å; A817-A821 WeakPolarHBondContact O-CB 3.4Å; A817-A821 PolarHBondContact O-N 3.45Å
818	K	95.9	Very high	96.1	Very high	66 Å²	66	17.4 Å²	17.4	29%	0.287	9%	0.086	S	C	.	.	H	α-helix	trans	-56.2	-47.7	174.9	-177.6	163.7	-177.2	150.9	0	112.9	D614 R728 C814 Y816 T822	D614-K818 HydrophobicContact CB-CB 4.32Å; D614-K818 WeakPolarHBondContact OD2-CA 3.42Å; D614-K818 WeakPolarHBondContact OD2-CB 3.48Å; D614-K818 VanDerWaalsContact OD2-CG 3.24Å; D614-K818 WeakPolarHBondContact OD2-CG 3.02Å; R728-K818 VanDerWaalsContact NH1-NZ 3.18Å; R728-K818 VanDerWaalsContact NH2-CD 3.31Å; C814-K818 WeakPolarHBondContact O-CB 3.25Å; C814-K818 PolarHBondContact O-N 2.97Å; Y816-K818 VanDerWaalsContact C-N 3.34Å; Y816-K818 PolarHBondContact O-N 3.45Å; K818-T822 VanDerWaalsContact O-CB 3.23Å; K818-T822 WeakPolarHBondContact O-CB 3.14Å; K818-T822 PolarHBondContact O-N 3.19Å; K818-T822 PolarHBondContact O-OG1 3.31Å
819	K	97.3	Very high	96	Very high	56 Å²	56	19.1 Å²	19.1	24%	0.243	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-42.8	-178.4	179.5	59.8	165.2	140.8	0	111.1	Q815 Y816 A817 L823 Y842 L843	Q815-K819 VanDerWaalsContact O-CB 3.3Å; Q815-K819 WeakPolarHBondContact O-CB 3.32Å; Q815-K819 PolarHBondContact O-N 3.44Å; Y816-K819 PolarHBondContact O-N 2.81Å; A817-K819 PolarHBondContact O-N 3.09Å; K819-L823 WeakPolarHBondContact O-CB 3.25Å; K819-L823 PolarHBondContact O-N 3.43Å; K819-Y842 HydrophobicContact CB-CD2 4.39Å; K819-Y842 VanDerWaalsContact CE-O 3.27Å; K819-Y842 WeakPolarHBondContact CE-O 3.04Å; K819-Y842 HydrophobicContact CG-CD2 4.1Å; K819-L843 WeakPolarHBondContact CE-O 3.35Å; K819-L843 HydrophobicContact CG-CD2 4.31Å; K819-L843 PolarHBondContact NZ-O 3.47Å; K819-L843 VanDerWaalsContact NZ-O 3.07Å
820	L	97.8	Very high	96	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.8	-51	176.8	177.3	54.5	0	0	0	112.2	A628 I630 V645 Y816 A817 T822 L823 V824 Y841 Y842	A628-L820 HydrophobicContact CB-CB 4.07Å; A628-L820 HydrophobicContact CB-CD2 4.09Å; A628-L820 HydrophobicContact CB-CG 3.93Å; I630-L820 HydrophobicContact CD1-CD2 3.74Å; V645-L820 HydrophobicContact CG2-CD1 3.77Å; V645-L820 HydrophobicContact CG2-CD2 3.44Å; V645-L820 VanDerWaalsContact CG2-CD2 3.44Å; V645-L820 HydrophobicContact CG2-CG 3.43Å; V645-L820 VanDerWaalsContact CG2-CG 3.43Å; Y816-L820 WeakPolarHBondContact O-CB 3.47Å; Y816-L820 PolarHBondContact O-N 3.32Å; A817-L820 PolarHBondContact O-N 2.97Å; L820-T822 VanDerWaalsContact C-N 3.3Å; L820-T822 PolarHBondContact O-N 2.87Å; L820-L823 PolarHBondContact O-N 3.38Å; L820-V824 HydrophobicContact CD1-CG2 4.15Å; L820-V824 WeakPolarHBondContact O-CG2 3.43Å; L820-V824 PolarHBondContact O-N 3.05Å; L820-Y841 HydrophobicContact CD1-CE2 4.09Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.34Å; L820-Y842 HydrophobicContact CB-CD1 4.18Å; L820-Y842 HydrophobicContact CB-CD2 3.94Å; L820-Y842 HydrophobicContact CB-CE2 4.33Å; L820-Y842 HydrophobicContact CB-CG 3.85Å; L820-Y842 HydrophobicContact CD1-CD1 3.84Å; L820-Y842 HydrophobicContact CD1-CG 3.89Å; L820-Y842 HydrophobicContact CD2-CD1 4.09Å; L820-Y842 HydrophobicContact CD2-CE1 4.17Å; L820-Y842 HydrophobicContact CG-CD1 4.26Å; L820-Y842 HydrophobicContact CG-CG 4.31Å
821	A	94.8	Very high	95.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.4	-43.9	177.5	0	0	0	0	0	111.4	A616 A628 A817 V824 G825	A616-A821 VanDerWaalsContact CB-C 3.46Å; A616-A821 HydrophobicContact CB-CB 3.74Å; A616-A821 WeakPolarHBondContact CB-O 3.34Å; A628-A821 HydrophobicContact CB-CB 3.74Å; A817-A821 WeakPolarHBondContact O-CB 3.4Å; A817-A821 PolarHBondContact O-N 3.45Å; A821-V824 PolarHBondContact O-N 3.31Å; A821-G825 PolarHBondContact O-N 3.3Å
822	T	94.6	Very high	95.9	Very high	59 Å²	59	22.8 Å²	22.8	36%	0.362	12%	0.12	S	C	.	.	H	α-helix	trans	-64.4	-43.3	178.6	-56.8	0	0	0	0	111.8	K818 L820 V824 G825 T826	K818-T822 VanDerWaalsContact O-CB 3.23Å; K818-T822 WeakPolarHBondContact O-CB 3.14Å; K818-T822 PolarHBondContact O-N 3.19Å; K818-T822 PolarHBondContact O-OG1 3.31Å; L820-T822 VanDerWaalsContact C-N 3.3Å; L820-T822 PolarHBondContact O-N 2.87Å; T822-V824 VanDerWaalsContact C-N 3.3Å; T822-V824 PolarHBondContact O-N 3.09Å; T822-G825 PolarHBondContact O-N 3.43Å; T822-T826 WeakPolarHBondContact O-CB 3.07Å; T822-T826 PolarHBondContact O-N 2.98Å; T822-T826 PolarHBondContact O-OG1 3.4Å
823	L	96.9	Very high	95.9	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-58.5	-44.1	175.8	176.6	67.9	0	0	0	110.9	Y551 K555 Y559 K819 L820 N827 L828	Y551-L823 HydrophobicContact CE1-CD1 4.32Å; K555-L823 HydrophobicContact CG-CD1 4.48Å; Y559-L823 HydrophobicContact CD2-CD2 4.27Å; Y559-L823 HydrophobicContact CE2-CD2 4.09Å; K819-L823 WeakPolarHBondContact O-CB 3.25Å; K819-L823 PolarHBondContact O-N 3.43Å; L820-L823 PolarHBondContact O-N 3.38Å; L823-N827 HydrophobicContact CD1-CB 4.13Å; L823-N827 WeakPolarHBondContact O-CA 3.28Å; L823-N827 WeakPolarHBondContact O-CB 3.43Å; L823-N827 PolarHBondContact O-N 3.17Å; L823-L828 HydrophobicContact CD2-CD1 4.29Å; L823-L828 HydrophobicContact CG-CD1 4.13Å; L823-L828 HydrophobicContact CG-CG 4.19Å; L823-L828 PolarHBondContact O-N 2.95Å; L823-L828 VanDerWaalsContact O-N 3.12Å
824	V	96.5	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-68.2	-49	179.8	178.2	0	0	0	0	111	Y626 V645 L820 A821 T822 T826 L828 H829 P832	Y626-V824 HydrophobicContact CD1-CG1 3.52Å; Y626-V824 HydrophobicContact CD2-CG1 3.85Å; Y626-V824 HydrophobicContact CE1-CG1 3.87Å; Y626-V824 HydrophobicContact CE2-CG1 4.14Å; Y626-V824 HydrophobicContact CG-CB 4.3Å; Y626-V824 HydrophobicContact CG-CG1 3.5Å; V645-V824 HydrophobicContact CG1-CB 4.4Å; V645-V824 HydrophobicContact CG1-CG1 4.21Å; V645-V824 HydrophobicContact CG1-CG2 4.11Å; V645-V824 HydrophobicContact CG2-CG2 4.23Å; L820-V824 HydrophobicContact CD1-CG2 4.15Å; L820-V824 WeakPolarHBondContact O-CG2 3.43Å; L820-V824 PolarHBondContact O-N 3.05Å; A821-V824 PolarHBondContact O-N 3.31Å; T822-V824 VanDerWaalsContact C-N 3.3Å; T822-V824 PolarHBondContact O-N 3.09Å; V824-T826 VanDerWaalsContact C-N 3.33Å; V824-T826 PolarHBondContact O-N 2.94Å; V824-L828 HydrophobicContact CG2-CD1 3.98Å; V824-L828 PolarHBondContact O-N 2.68Å; V824-H829 WeakPolarHBondContact O-CA 3.34Å; V824-H829 PolarHBondContact O-N 3.19Å; V824-P832 HydrophobicContact CG2-CG 4.13Å
825	G	92.3	Very high	95.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-68.7	-27.1	-178.4	0	0	0	0	0	114.7	S618 T619 A821 T822 H829	S618-G825 WeakPolarHBondContact CA-O 3.48Å; T619-G825 PolarHBondContact N-O 2.81Å; T619-G825 PolarHBondContact OG1-O 2.78Å; A821-G825 PolarHBondContact O-N 3.3Å; T822-G825 PolarHBondContact O-N 3.43Å; G825-H829 PolarHBondContact O-CE1 3.29Å; G825-H829 PolarHBondContact O-ND1 2.9Å
826	T	91.1	Very high	95.7	Very high	54 Å²	54	32.6 Å²	32.6	33%	0.331	18%	0.182	S	C	.	.	I	π-helix	trans	-101.6	-33.2	-174.5	-48.1	0	0	0	0	113.3	T619 T822 V824 H829	T619-T826 HydrophobicContact CG2-CG2 4.14Å; T822-T826 WeakPolarHBondContact O-CB 3.07Å; T822-T826 PolarHBondContact O-N 2.98Å; T822-T826 PolarHBondContact O-OG1 3.4Å; V824-T826 VanDerWaalsContact C-N 3.33Å; V824-T826 PolarHBondContact O-N 2.94Å; T826-H829 PolarHBondContact O-CE1 2.78Å; T826-H829 PolarHBondContact O-NE2 3.48Å
827	N	94.2	Very high	95.6	Very high	24 Å²	24	34.1 Å²	34.1	13%	0.128	19%	0.189	C	C	.	.	I	π-helix	trans	-125.1	-41.1	-168.6	-56.8	108.5	0	0	0	114.1	Y551 S552 L823	Y551-N827 WeakPolarHBondContact CD1-ND2 3.3Å; Y551-N827 HydrophobicContact CE1-CB 4.29Å; S552-N827 PolarHBondContact OG-ND2 3.17Å; L823-N827 HydrophobicContact CD1-CB 4.13Å; L823-N827 WeakPolarHBondContact O-CA 3.28Å; L823-N827 WeakPolarHBondContact O-CB 3.43Å; L823-N827 PolarHBondContact O-N 3.17Å
828	L	95.6	Very high	95.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-85.1	-42	-175.3	-55	-179.6	0	0	0	112.5	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 3.5Å; K556-L828 HydrophobicContact CB-CD2 4.49Å; Y559-L828 HydrophobicContact CD2-CD1 4.38Å; Y559-L828 HydrophobicContact CD2-CD2 4.35Å; V560-L828 HydrophobicContact CG2-CB 4.17Å; V560-L828 HydrophobicContact CG2-CD1 4.46Å; V560-L828 HydrophobicContact CG2-CD2 4.36Å; L823-L828 HydrophobicContact CD2-CD1 4.29Å; L823-L828 HydrophobicContact CG-CD1 4.13Å; L823-L828 HydrophobicContact CG-CG 4.19Å; L823-L828 PolarHBondContact O-N 2.95Å; L823-L828 VanDerWaalsContact O-N 3.12Å; V824-L828 HydrophobicContact CG2-CD1 3.98Å; V824-L828 PolarHBondContact O-N 2.68Å; L828-S830 PolarHBondContact O-N 2.61Å; L828-S830 VanDerWaalsContact O-N 3.11Å; L828-P832 HydrophobicContact CD1-CG 3.79Å
829	H	93.6	Very high	95.5	Very high	44 Å²	44	36.6 Å²	36.6	20%	0.204	20%	0.2	C	C	.	.			trans	51.9	26.3	-173	-51.9	-62.9	0	0	0	113.8	S618 T619 Y626 V824 G825 T826	S618-H829 PolarHBondContact OG-ND1 3.4Å; T619-H829 PolarHBondContact OG1-CE1 3.39Å; T619-H829 VanDerWaalsContact OG1-CE1 3.29Å; Y626-H829 PolarHBondContact OH-O 2.84Å; V824-H829 WeakPolarHBondContact O-CA 3.34Å; V824-H829 PolarHBondContact O-N 3.19Å; G825-H829 PolarHBondContact O-CE1 3.29Å; G825-H829 PolarHBondContact O-ND1 2.9Å; T826-H829 PolarHBondContact O-CE1 2.78Å; T826-H829 PolarHBondContact O-NE2 3.48Å
830	S	94.3	Very high	95.6	Very high	39 Å²	39	34.2 Å²	34.2	27%	0.273	19%	0.189	S	C	.	.	S	Bend	trans	-162.2	156.6	-176.9	-63.3	0	0	0	0	109.1	L828	L828-S830 PolarHBondContact O-N 2.61Å; L828-S830 VanDerWaalsContact O-N 3.11Å
831	I	95.4	Very high	95.6	Very high	82 Å²	82	34.5 Å²	34.5	42%	0.421	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-73.2	129.8	-179.1	-56.6	177.4	0	0	0	109.1
832	P	97.3	Very high	95.7	Very high	7 Å²	7	34.7 Å²	34.7	5%	0.045	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-64.1	157.8	173.7	-20.9	33.4	0	0	0	112.8	Y559 V824 L828 Y841	Y559-P832 CarbonylContact O-C 3.6Å; Y559-P832 WeakPolarHBondContact O-CA 3.36Å; V824-P832 HydrophobicContact CG2-CG 4.13Å; L828-P832 HydrophobicContact CD1-CG 3.79Å; P832-Y841 HydrophobicContact CB-CE2 3.86Å; P832-Y841 HydrophobicContact CG-CE2 3.93Å; P832-Y841 WeakPolarHBondContact CG-OH 3.35Å
833	Q	97.4	Very high	95.8	Very high	75 Å²	75	32.2 Å²	32.2	35%	0.35	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-66	141.1	176.8	-63.6	-162.6	3.9	0	0	112.9	Y559 V560 D561 A563 A835 L836	Y559-Q833 PolarHBondContact O-N 3.06Å; V560-Q833 VanDerWaalsContact O-CG 3.26Å; V560-Q833 WeakPolarHBondContact O-CG 3.31Å; V560-Q833 PolarHBondContact O-NE2 3.34Å; D561-Q833 VanDerWaalsContact C-NE2 3.34Å; D561-Q833 PolarHBondContact O-NE2 3.27Å; A563-Q833 HydrophobicContact CB-CB 4.11Å; Q833-A835 PolarHBondContact O-N 3.29Å; Q833-L836 PolarHBondContact O-N 2.93Å
834	N	95.5	Very high	95.7	Very high	96 Å²	96	33.6 Å²	33.6	51%	0.513	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-65.1	-21.6	-175.9	-63.3	6.8	0	0	0	113.6	L836 E837	N834-L836 PolarHBondContact O-N 2.85Å; N834-E837 HydrophobicContact CB-CG 4.31Å; N834-E837 WeakPolarHBondContact CB-OE1 3.31Å; N834-E837 WeakPolarHBondContact O-CB 3.49Å; N834-E837 WeakPolarHBondContact O-CG 3.37Å; N834-E837 PolarHBondContact O-N 2.97Å
835	A	96.3	Very high	95.7	Very high	76 Å²	76	35.3 Å²	35.3	63%	0.628	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-60.6	-15.2	176.4	0	0	0	0	0	113.7	A563 Q833	A563-A835 HydrophobicContact CB-CB 3.81Å; Q833-A835 PolarHBondContact O-N 3.29Å
836	L	96.6	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-94.3	-0.7	178.6	-61.4	176	0	0	0	113.9	Y559 A563 P565 Q833 N834 K838 K839 Y841	Y559-L836 HydrophobicContact CD1-CD1 3.96Å; Y559-L836 HydrophobicContact CG-CD1 4.3Å; A563-L836 HydrophobicContact CB-CD2 4.41Å; A563-L836 HydrophobicContact CB-CG 4.21Å; A563-L836 WeakPolarHBondContact O-CD2 3.26Å; P565-L836 HydrophobicContact CG-CD2 4.11Å; Q833-L836 PolarHBondContact O-N 2.93Å; N834-L836 PolarHBondContact O-N 2.85Å; L836-K838 PolarHBondContact O-N 3.49Å; L836-K839 HydrophobicContact CD2-CD 4.27Å; L836-K839 PolarHBondContact O-N 3.21Å; L836-Y841 HydrophobicContact CB-CD1 3.49Å; L836-Y841 VanDerWaalsContact CB-CD1 3.49Å; L836-Y841 HydrophobicContact CB-CE1 3.69Å; L836-Y841 HydrophobicContact CB-CG 3.97Å; L836-Y841 HydrophobicContact CD1-CD1 4.34Å; L836-Y841 HydrophobicContact CD1-CD2 4.01Å; L836-Y841 HydrophobicContact CD1-CE2 4.43Å; L836-Y841 HydrophobicContact CD1-CG 3.96Å; L836-Y841 HydrophobicContact CG-CD1 4.43Å; L836-Y841 HydrophobicContact CG-CG 4.46Å; L836-Y841 WeakPolarHBondContact O-CD1 3.49Å; L836-Y841 WeakPolarHBondContact O-CE1 3.38Å
837	E	96.1	Very high	96.1	Very high	33 Å²	33	36.3 Å²	36.3	15%	0.154	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32	-169.9	-78.1	171.6	163.7	0	0	114	F642 S643 K664 N834	F642-E837 CarbonylContact C-O 3.53Å; F642-E837 WeakPolarHBondContact CA-O 3.31Å; F642-E837 HydrophobicContact CD2-CB 3.87Å; F642-E837 HydrophobicContact CE2-CB 3.63Å; F642-E837 HydrophobicContact CE2-CG 3.92Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.33Å; F642-E837 HydrophobicContact CZ-CB 4.42Å; F642-E837 HydrophobicContact CZ-CG 4.29Å; S643-E837 PolarHBondContact N-O 3.21Å; S643-E837 WeakPolarHBondContact O-CG 3.36Å; S643-E837 PolarHBondContact OG-O 3.12Å; K664-E837 WeakPolarHBondContact CE-OE1 3.47Å; K664-E837 IonicContact NZ-OE1 3.8Å; K664-E837 PolarHBondContact NZ-OE1 3.35Å; N834-E837 HydrophobicContact CB-CG 4.31Å; N834-E837 WeakPolarHBondContact CB-OE1 3.31Å; N834-E837 WeakPolarHBondContact O-CB 3.49Å; N834-E837 WeakPolarHBondContact O-CG 3.37Å; N834-E837 PolarHBondContact O-N 2.97Å
838	K	96.1	Very high	96.3	Very high	52 Å²	52	37.1 Å²	37.1	23%	0.226	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	3.7	-179.6	-69.2	-67	-53.4	-161.5	0	114.9	T640 Y641 F642 Q668 E672 L836	T640-K838 PolarHBondContact OG1-NZ 3.27Å; Y641-K838 WeakPolarHBondContact O-CA 3.38Å; Y641-K838 WeakPolarHBondContact O-CE 3.37Å; F642-K838 HydrophobicContact CB-CD 4.44Å; F642-K838 HydrophobicContact CD2-CD 4.42Å; Q668-K838 HydrophobicContact CG-CD 4.17Å; E672-K838 WeakPolarHBondContact OE1-CD 3.32Å; E672-K838 WeakPolarHBondContact OE1-CE 3.15Å; E672-K838 IonicContact OE1-NZ 2.83Å; E672-K838 PolarHBondContact OE1-NZ 3.27Å; E672-K838 IonicContact OE2-NZ 2.58Å; E672-K838 PolarHBondContact OE2-NZ 3.48Å; L836-K838 PolarHBondContact O-N 3.49Å
839	K	96.8	Very high	96.3	Very high	66 Å²	66	39.5 Å²	39.5	29%	0.287	21%	0.214	S	C	.	.	S	Bend	trans	-113.2	151.9	-177	-66.9	177.2	178.5	176	0	111	P565 L836 Y841	P565-K839 HydrophobicContact CG-CD 4.02Å; L836-K839 HydrophobicContact CD2-CD 4.27Å; L836-K839 PolarHBondContact O-N 3.21Å; K839-Y841 VanDerWaalsContact O-CD1 3.27Å; K839-Y841 WeakPolarHBondContact O-CD1 3.26Å; K839-Y841 PolarHBondContact O-N 2.99Å; K839-Y841 VanDerWaalsContact O-N 3.07Å
840	F	97.6	Very high	96.5	Very high	5 Å²	5	39.2 Å²	39.2	2%	0.022	21%	0.214	C	C	.	.			trans	-85.6	47.1	171.6	-65.4	-79.5	0	0	0	112.3	C592 K593 Y641 Y802 Y816 Y842 L843	C592-F840 HydrophobicContact CB-CB 3.88Å; C592-F840 HydrophobicContact CB-CD2 4.02Å; C592-F840 HydrophobicContact CB-CG 4.26Å; C592-F840 WeakPolarHBondContact O-CB 3.39Å; C592-F840 PolarHBondContact O-N 3.14Å; K593-F840 WeakPolarHBondContact CG-O 3.36Å; Y641-F840 AromaticContact CD2-CE1 3.97Å; Y641-F840 HydrophobicContact CD2-CE1 3.97Å; Y641-F840 HydrophobicContact CD2-CE2 4.01Å; Y641-F840 AromaticContact CD2-CZ 3.19Å; Y641-F840 HydrophobicContact CD2-CZ 3.19Å; Y641-F840 AromaticContact CE2-CZ 3.72Å; Y641-F840 HydrophobicContact CE2-CZ 3.72Å; Y641-F840 HydrophobicContact CG-CE1 4.07Å; Y641-F840 AromaticContact CG-CZ 3.74Å; Y641-F840 HydrophobicContact CG-CZ 3.74Å; Y802-F840 HydrophobicContact CD2-CD2 4.49Å; Y802-F840 AromaticContact CD2-CE2 3.88Å; Y802-F840 HydrophobicContact CD2-CE2 3.88Å; Y802-F840 AromaticContact CD2-CZ 3.9Å; Y802-F840 HydrophobicContact CD2-CZ 3.9Å; Y802-F840 AromaticContact CE2-CE2 3.78Å; Y802-F840 HydrophobicContact CE2-CE2 3.78Å; Y802-F840 AromaticContact CE2-CZ 3.71Å; Y802-F840 HydrophobicContact CE2-CZ 3.71Å; Y816-F840 HydrophobicContact CD1-CD1 4.12Å; Y816-F840 HydrophobicContact CD1-CE1 4.04Å; Y816-F840 HydrophobicContact CD2-CE1 4.07Å; Y816-F840 AromaticContact CE1-CD1 3.88Å; Y816-F840 HydrophobicContact CE1-CD1 3.88Å; Y816-F840 AromaticContact CE1-CE1 3.68Å; Y816-F840 HydrophobicContact CE1-CE1 3.68Å; Y816-F840 AromaticContact CE2-CE1 3.73Å; Y816-F840 HydrophobicContact CE2-CE1 3.73Å; Y816-F840 HydrophobicContact CE2-CZ 4.27Å; Y816-F840 HydrophobicContact CG-CE1 4.24Å; Y816-F840 AromaticContact CZ-CE1 3.52Å; F840-Y842 HydrophobicContact CD1-CE2 4.44Å; F840-Y842 AromaticContact CD1-CZ 3.92Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.38Å; F840-Y842 PolarHBondContact O-N 3.15Å; F840-Y842 VanDerWaalsContact O-N 3.12Å; F840-L843 HydrophobicContact CB-CD1 3.66Å; F840-L843 HydrophobicContact CB-CG 3.93Å; F840-L843 HydrophobicContact CD1-CD1 4.3Å; F840-L843 HydrophobicContact CG-CD1 4.15Å; F840-L843 PolarHBondContact O-N 2.9Å
841	Y	97.8	Very high	96.7	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.027	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.6	-174.7	64.7	-85.9	0	0	0	113.5	Y559 L820 P832 L836 K839	Y559-Y841 HydrophobicContact CD1-CD2 4.33Å; Y559-Y841 AromaticContact CD2-CD2 3.82Å; Y559-Y841 HydrophobicContact CD2-CD2 3.82Å; Y559-Y841 HydrophobicContact CD2-CE2 4.34Å; Y559-Y841 HydrophobicContact CE1-CD2 4.5Å; Y559-Y841 AromaticContact CE2-CD2 3.9Å; Y559-Y841 HydrophobicContact CE2-CD2 3.9Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.3Å; Y559-Y841 HydrophobicContact CG-CD2 4.03Å; Y559-Y841 VanDerWaalsContact CZ-O 3.24Å; Y559-Y841 PolarHBondContact OH-O 2.86Å; L820-Y841 HydrophobicContact CD1-CE2 4.09Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.34Å; P832-Y841 HydrophobicContact CB-CE2 3.86Å; P832-Y841 HydrophobicContact CG-CE2 3.93Å; P832-Y841 WeakPolarHBondContact CG-OH 3.35Å; L836-Y841 HydrophobicContact CB-CD1 3.49Å; L836-Y841 VanDerWaalsContact CB-CD1 3.49Å; L836-Y841 HydrophobicContact CB-CE1 3.69Å; L836-Y841 HydrophobicContact CB-CG 3.97Å; L836-Y841 HydrophobicContact CD1-CD1 4.34Å; L836-Y841 HydrophobicContact CD1-CD2 4.01Å; L836-Y841 HydrophobicContact CD1-CE2 4.43Å; L836-Y841 HydrophobicContact CD1-CG 3.96Å; L836-Y841 HydrophobicContact CG-CD1 4.43Å; L836-Y841 HydrophobicContact CG-CG 4.46Å; L836-Y841 WeakPolarHBondContact O-CD1 3.49Å; L836-Y841 WeakPolarHBondContact O-CE1 3.38Å; K839-Y841 VanDerWaalsContact O-CD1 3.27Å; K839-Y841 WeakPolarHBondContact O-CD1 3.26Å; K839-Y841 PolarHBondContact O-N 2.99Å; K839-Y841 VanDerWaalsContact O-N 3.07Å
842	Y	97.5	Very high	96.8	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.012	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.9	-175.3	51.9	-94.7	0	0	0	115	I630 Y816 K819 L820 F840	I630-Y842 HydrophobicContact CD1-CE1 4.3Å; Y816-Y842 AromaticContact CD1-CE2 3.92Å; Y816-Y842 HydrophobicContact CD1-CE2 3.92Å; Y816-Y842 HydrophobicContact CG-CE2 4.33Å; K819-Y842 HydrophobicContact CB-CD2 4.39Å; K819-Y842 VanDerWaalsContact CE-O 3.27Å; K819-Y842 WeakPolarHBondContact CE-O 3.04Å; K819-Y842 HydrophobicContact CG-CD2 4.1Å; L820-Y842 HydrophobicContact CB-CD1 4.18Å; L820-Y842 HydrophobicContact CB-CD2 3.94Å; L820-Y842 HydrophobicContact CB-CE2 4.33Å; L820-Y842 HydrophobicContact CB-CG 3.85Å; L820-Y842 HydrophobicContact CD1-CD1 3.84Å; L820-Y842 HydrophobicContact CD1-CG 3.89Å; L820-Y842 HydrophobicContact CD2-CD1 4.09Å; L820-Y842 HydrophobicContact CD2-CE1 4.17Å; L820-Y842 HydrophobicContact CG-CD1 4.26Å; L820-Y842 HydrophobicContact CG-CG 4.31Å; F840-Y842 HydrophobicContact CD1-CE2 4.44Å; F840-Y842 AromaticContact CD1-CZ 3.92Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.38Å; F840-Y842 PolarHBondContact O-N 3.15Å; F840-Y842 VanDerWaalsContact O-N 3.12Å
843	L	96.4	Very high	96.7	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.042	21%	0.206	C	C	.	.			trans	-63.5	0	172.6	-68.3	-174.8	0	0	0	110.4	Q589 C592 K593 Y801 N803 Y816 K819 F840	Q589-L843 HydrophobicContact CG-CB 4.26Å; Q589-L843 PolarHBondContact NE2-O 3.04Å; Q589-L843 PolarHBondContact NE2-OXT 3.28Å; C592-L843 HydrophobicContact CB-CD1 3.9Å; K593-L843 WeakPolarHBondContact CE-OXT 3.48Å; K593-L843 PolarHBondContact NZ-OXT 2.78Å; Y801-L843 HydrophobicContact CE2-CD2 3.98Å; N803-L843 HydrophobicContact CB-CD2 4.39Å; Y816-L843 HydrophobicContact CD1-CD2 3.88Å; Y816-L843 HydrophobicContact CE1-CD1 4.2Å; Y816-L843 HydrophobicContact CE1-CD2 3.85Å; Y816-L843 HydrophobicContact CE1-CG 4.49Å; K819-L843 WeakPolarHBondContact CE-O 3.35Å; K819-L843 HydrophobicContact CG-CD2 4.31Å; K819-L843 PolarHBondContact NZ-O 3.47Å; K819-L843 VanDerWaalsContact NZ-O 3.07Å; F840-L843 HydrophobicContact CB-CD1 3.66Å; F840-L843 HydrophobicContact CB-CG 3.93Å; F840-L843 HydrophobicContact CD1-CD1 4.3Å; F840-L843 HydrophobicContact CG-CD1 4.15Å; F840-L843 PolarHBondContact O-N 2.9Å

Retrieved 843 of 843 residues in 477.2 ms (Link to these results)

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