A0A087XIC3_POEFO Loading...

SEC24 homolog A, COPII coat complex component

AlphaFold DB , UniProt , Accession A0A087XIC3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,089 aa.

						>A0A087XIC3_POEFO|A0A087XIC3
MSTAGFNSQNGTGTGQTYTNGPSQNPVALQQPSGVGYSVNHQPAYNQMQAKVLAPPGPALYPSGPYQPVPPGPQVGSYPPAPAQPLLPRPQIGILPSHTPPQSASPSPGPRPAQATPPAQATPPPPAVTSTSYYTGPPAWQYAAPRGPAPNHVNPAAAAPPLMSHSSTQPPGPGAPPTSIHGFTQPGSAPPPMNPLPPHTYQPNRPAYGPPPTMKPTAPPAGPPGTTGTPPPPKADGDVAGNGPQAPNSYNHVDNRMAGAAPPGRHLGHYPSLPPGYQNTSAPPPSSLHPALQAATQPYTQGPQPYQQQPGGPGPGPGPGAGPAQLSPSMAAMSLQSSTPEALRVVNLLQERNLLPPAPVPAPTPCLTQDLQKLNCSPEVFRCTLTSIPQTQSVLNKAKLPLGLLLHPFKDLSQLPVVTSSTIVRCRSCRTYINPFVSFLDQRRWKCNLCYRVNDVPEEFMYNPVSRSYGEPHKRPEVQNATIEFIAPSEYMLRPPQPAVYLFVLDVSHNAVETGYLSVFCQSLLDNISALPGDSRTKVGFITFDSTIHFYNLQEGLSQPQMLIVSDIEDIFLPTPDSLLVNLNECKELVQDLLKSLPNLFEKTMETQSALGSALQAAFKLLSPTGGRMSVFQTQLPNLGVGALQSREDPNQRASAKDVQHLSPATDFYKKLALDCSGQQVAVDLFLLSAQYCDLATLGCISRYSAGSVYYYPSYHHQHNPAQVERFQRDLKRYLTRKIGFEAVMRIRCTKGLSIHTFHGNFFVRSTDLLSLPNVNPDAGFAVQMSIEENLDDMQVVSFQAALLYTSSKGERRIRVHTMCLPVVSSLSDVFAGADVQAITGLLACMAVDRSVTSSLSDARDAMTNAAIDSLSSYRQSALTIQQPGLLAPACLRLFPLYILALLKQKAFRTGTSTRLDERVFAMYQLKYQPLAFAMLMIHPALYRLDDLSDEGALNIGEQTIPQPRVLQLSVEKLSREGAFLLDAGLVMYLWIGRNCHQNFLSQVLGVSSYAAVPEKLYLLPELDTAESQRTRAFVSWLRDQRPFFPSLHIIRDESQLKPHFLQNMIEDRTESALSYYEFLLHLQQQISK
					

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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	30.7	Very low	28.5	Very low	238 Å²	238	132.4 Å²	132.4	100%	1.172	80%	0.802	S	S	*	*				0	124.1	0	-65.9	176.8	-174.8	0	0	105.9
2	S	28.4	Very low	28.5	Very low	102 Å²	102	133.8 Å²	133.8	71%	0.713	81%	0.812	S	S	*	*			cis	-147.2	159.3	12.6	-64.4	0	0	0	0	112.9
3	T	29.8	Very low	28.3	Very low	130 Å²	130	129.3 Å²	129.3	80%	0.798	81%	0.809	S	S	*	*			trans	36.4	113.2	149.1	53	0	0	0	0	119.2
4	A	31.8	Very low	28.3	Very low	108 Å²	108	130.9 Å²	130.9	89%	0.893	82%	0.818	S	S	*	*			cis	89.3	134.4	34.1	0	0	0	0	0	116.8
5	G	28.4	Very low	28.2	Very low	68 Å²	68	126.9 Å²	126.9	70%	0.701	81%	0.811	S	S	*	*			trans	106.8	139.5	171.4	0	0	0	0	0	114.3
6	F	25.6	Very low	28.3	Very low	197 Å²	197	130.8 Å²	130.8	86%	0.864	82%	0.816	S	S	*	*			cis	-140.2	149.2	-3.7	-96	-110	0	0	0	107.5
7	N	27.5	Very low	28.4	Very low	142 Å²	142	128.9 Å²	128.9	76%	0.759	80%	0.804	S	S	*	*				44	141.6	80.5	-82.1	-4.8	0	0	0	115.2
8	S	28.1	Very low	28.4	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	80%	0.802	S	S	*	*			cis	-179.5	162.4	-4.8	48.5	0	0	0	0	107.7
9	Q	29	Very low	28.4	Very low	161 Å²	161	133.3 Å²	133.3	75%	0.752	81%	0.807	S	S	*	*			cis	-162.8	-168.3	5.1	-131.3	-177.8	15.2	0	0	110.1
10	N	28.6	Very low	28.5	Very low	139 Å²	139	134.1 Å²	134.1	74%	0.743	81%	0.806	S	S	*	*			trans	21.5	143.3	150.1	-49.6	-15.6	0	0	0	121.2
11	G	26.2	Very low	28.3	Very low	70 Å²	70	130.8 Å²	130.8	72%	0.722	80%	0.799	S	S	*	*			cis	115.5	152	24.7	0	0	0	0	0	110
12	T	27.8	Very low	28.4	Very low	150 Å²	150	126.1 Å²	126.1	92%	0.92	79%	0.787	S	S	*	*			cis	-163.9	165.4	2.8	47.5	0	0	0	0	108
13	G	26.3	Very low	28.4	Very low	75 Å²	75	127 Å²	127	77%	0.773	79%	0.793	S	S	*	*			cis	148.5	80.2	-0.5	0	0	0	0	0	113.9
14	T	28.6	Very low	28.2	Very low	152 Å²	152	129.7 Å²	129.7	93%	0.933	80%	0.797	S	S	*	*			trans	-135.6	144.4	177.4	48.6	0	0	0	0	111.7
15	G	26.7	Very low	27.9	Very low	70 Å²	70	132.2 Å²	132.2	72%	0.722	80%	0.795	S	S	*	*			cis	172.9	129.7	-14.8	0	0	0	0	0	113.8
16	Q	29.2	Very low	28.3	Very low	189 Å²	189	134.2 Å²	134.2	88%	0.883	80%	0.796	S	S	*	*			trans	65.5	155.7	165.4	-60	-163.5	-17.2	0	0	118.6
17	T	29.4	Very low	28.2	Very low	99 Å²	99	131.8 Å²	131.8	61%	0.607	80%	0.797	S	S	*	*			cis	-173.5	160.3	-26.3	35.5	0	0	0	0	106.7
18	Y	28.9	Very low	28.1	Very low	196 Å²	196	129.8 Å²	129.8	77%	0.769	80%	0.8	S	S	*	*			cis	-165.3	145.4	-13.7	-111.9	-41.4	0	0	0	107.7
19	T	29.5	Very low	27.9	Very low	146 Å²	146	132.6 Å²	132.6	90%	0.896	81%	0.806	S	S	*	*			trans	-169.9	150.5	145.5	8.9	0	0	0	0	110.6
20	N	29.8	Very low	27.7	Very low	148 Å²	148	134.2 Å²	134.2	79%	0.791	81%	0.814	S	S	*	*			trans	-116.2	149.3	-162.4	-66.7	-34.1	0	0	0	114.5
21	G	23.9	Very low	27.6	Very low	65 Å²	65	135.9 Å²	135.9	67%	0.67	82%	0.817	S	S	*	*			trans	-90.5	171.1	159.2	0	0	0	0	0	112.7
22	P	33.8	Very low	28.6	Very low	141 Å²	141	137.5 Å²	137.5	92%	0.916	82%	0.815	S	S	*	*			trans	-76.8	154.4	-178.8	32.3	-35.5	0	0	0	113.1
23	S	26.8	Very low	28.4	Very low	120 Å²	120	136.5 Å²	136.5	84%	0.839	81%	0.814	S	S	*	*			trans	-107.4	152.4	-169.8	45.8	0	0	0	0	114.5
24	Q	25.7	Very low	28.3	Very low	186 Å²	186	136.2 Å²	136.2	87%	0.869	81%	0.811	S	S	*	*			trans	-125.5	139.4	164.3	-68.8	-175	-5.2	0	0	109.4
25	N	26.2	Very low	28.2	Very low	161 Å²	161	136.3 Å²	136.3	86%	0.861	81%	0.811	S	S	*	*			trans	165.9	164.4	153.9	-97.9	-30.5	0	0	0	110.5
26	P	36	Very low	28	Very low	110 Å²	110	136.4 Å²	136.4	71%	0.714	81%	0.812	S	S	*	*			cis	-130.5	170.8	-24.3	35.9	-20.1	0	0	0	113.2
27	V	24.5	Very low	27.9	Very low	147 Å²	147	138.2 Å²	138.2	89%	0.891	81%	0.812	S	S	*	*			trans	-121.4	136.5	156.4	176.8	0	0	0	0	107.7
28	A	25.6	Very low	27.6	Very low	100 Å²	100	138.4 Å²	138.4	83%	0.826	82%	0.817	S	S	*	*			trans	-92.3	144.5	-174.9	0	0	0	0	0	112.8
29	L	24.2	Very low	27.4	Very low	159 Å²	159	134.9 Å²	134.9	83%	0.832	82%	0.816	S	S	*	*			trans	-100.6	144.4	178.5	-88.3	148.5	0	0	0	111.8
30	Q	24.9	Very low	27.3	Very low	195 Å²	195	134.5 Å²	134.5	91%	0.911	81%	0.809	S	S	*	*			trans	-141.6	140.2	154.5	-81.4	-167	-23.4	0	0	110.8
31	Q	24.8	Very low	27.1	Very low	175 Å²	175	135.8 Å²	135.8	82%	0.818	81%	0.81	S	S	*	*			trans	-168.4	170.2	-176.3	-106.2	-160.1	23.2	0	0	108.3
32	P	47.4	Very low	27.3	Very low	104 Å²	104	141.3 Å²	141.3	68%	0.675	82%	0.818	S	S	*	*			cis	-137	177.6	-20.9	35.9	-18.3	0	0	0	114.7
33	S	23.4	Very low	27.2	Very low	129 Å²	129	141 Å²	141	90%	0.902	82%	0.816	S	S	*	*			trans	-164.9	159.8	158.9	-79.9	0	0	0	0	110.1
34	G	24.8	Very low	27.1	Very low	68 Å²	68	139.3 Å²	139.3	70%	0.701	81%	0.809	S	S	*	*			cis	-173.8	25.7	0.7	0	0	0	0	0	117.6
35	V	26.6	Very low	27.1	Very low	154 Å²	154	140.8 Å²	140.8	93%	0.933	81%	0.808	S	S	*	*			trans	72.1	131.5	174.5	-171	0	0	0	0	117.3
36	G	23.3	Very low	27	Very low	72 Å²	72	139.7 Å²	139.7	74%	0.742	80%	0.803	S	S	*	*			trans	174.9	141.6	167.1	0	0	0	0	0	113.7
37	Y	25.7	Very low	26.6	Very low	228 Å²	228	141.9 Å²	141.9	89%	0.894	80%	0.803	S	S	*	*			trans	-119.8	157.5	-177.9	-96.5	-92.1	0	0	0	112.3
38	S	22.9	Very low	26.6	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	79%	0.793	S	S	*	*			trans	85.6	116.9	152.1	-61.7	0	0	0	0	123
39	V	26	Very low	26.5	Very low	123 Å²	123	143.6 Å²	143.6	75%	0.745	79%	0.786	S	S	*	*				68.8	115.3	123.8	-178.1	0	0	0	0	122
40	N	26.7	Very low	26.6	Very low	138 Å²	138	140.7 Å²	140.7	74%	0.738	79%	0.785	S	S	*	*			trans	66.2	151.3	147.9	-74.8	4.7	0	0	0	124.6
41	H	25	Very low	26.6	Very low	175 Å²	175	140.7 Å²	140.7	81%	0.81	78%	0.782	S	S	*	*			trans	79.2	143	160.1	-72.2	-65.2	0	0	0	121.3
42	Q	29	Very low	26.8	Very low	180 Å²	180	138.7 Å²	138.7	84%	0.841	78%	0.782	S	S	*	*			trans	-74.7	160.9	170.1	-57.6	161.8	-65.5	0	0	110.6
43	P	32.2	Very low	25.8	Very low	134 Å²	134	142.1 Å²	142.1	87%	0.87	79%	0.793	S	S	*	*				-140.2	-166	110.3	37.7	-24.4	0	0	0	113.6
44	A	24.8	Very low	26.2	Very low	85 Å²	85	139.8 Å²	139.8	70%	0.702	78%	0.782	S	S	*	*			trans	-142	-175.5	-166.8	0	0	0	0	0	114.2
45	Y	24.4	Very low	26.7	Very low	217 Å²	217	142.5 Å²	142.5	85%	0.851	79%	0.787	S	S	*	*			trans	75.3	100.5	172.3	-81.7	-94.5	0	0	0	118.1
46	N	25.5	Very low	27.5	Very low	139 Å²	139	141.4 Å²	141.4	74%	0.743	78%	0.783	S	S	*	*				92.2	148.4	61	-161.5	8.4	0	0	0	114.5
47	Q	26.5	Very low	27.7	Very low	156 Å²	156	141.3 Å²	141.3	73%	0.729	78%	0.782	S	S	*	*			trans	70.1	144	-176.1	-56.6	-169.1	7.9	0	0	116.3
48	M	24.7	Very low	29.1	Very low	137 Å²	137	136.7 Å²	136.7	68%	0.675	78%	0.78	S	S	*	*			cis	-159.4	172.1	-6.4	-128.5	-163.8	-79.1	0	0	108.4
49	Q	23.7	Very low	29.3	Very low	145 Å²	145	136.2 Å²	136.2	68%	0.678	78%	0.783	S	S	*	*			cis	-156	153.7	-2.5	-165.7	-168.8	117.7	0	0	108.6
50	A	26.3	Very low	29.3	Very low	99 Å²	99	138.8 Å²	138.8	82%	0.818	79%	0.791	S	S	*	*			trans	-149.5	152.9	158.5	0	0	0	0	0	110.8
51	K	25.8	Very low	29.4	Very low	195 Å²	195	142.6 Å²	142.6	85%	0.848	80%	0.796	S	S	*	*			trans	-106.4	152.1	-173.8	-104.1	-179.5	178.1	177.1	0	113.8
52	V	28.4	Very low	30.4	Very low	133 Å²	133	139.6 Å²	139.6	81%	0.806	79%	0.793	S	S	*	*			trans	-90.2	149.7	-177	176.2	0	0	0	0	112
53	L	25.7	Very low	30.4	Very low	176 Å²	176	136.5 Å²	136.5	92%	0.921	79%	0.791	S	S	*	*			trans	-147.3	161.8	144.4	-105.4	171.9	0	0	0	110.2
54	A	31.8	Very low	30.2	Very low	80 Å²	80	133.4 Å²	133.4	66%	0.661	78%	0.784	S	S	*	*			trans	-119.6	162.3	-157.3	0	0	0	0	0	114.7
55	P	36	Very low	31.4	Very low	124 Å²	124	134.9 Å²	134.9	81%	0.805	79%	0.786	S	S	*	*			trans	-77.7	150.8	172.6	32.5	-35.4	0	0	0	113
56	P	42.2	Very low	31.7	Very low	131 Å²	131	135.6 Å²	135.6	85%	0.851	79%	0.789	S	S	*	*			trans	-95.1	164.5	-170.9	37	-37.1	0	0	0	116
57	G	29.1	Very low	32.2	Very low	70 Å²	70	136.6 Å²	136.6	72%	0.722	79%	0.789	S	S	*	*			trans	-95.1	-165.8	172.3	0	0	0	0	0	115.2
58	P	53.5	Low	33.4	Very low	132 Å²	132	134.8 Å²	134.8	86%	0.857	79%	0.791	S	S	*	*			trans	-111.6	176.1	-150.7	41.4	-38	0	0	0	118.2
59	A	27.9	Very low	34	Very low	92 Å²	92	133.7 Å²	133.7	76%	0.76	79%	0.791	S	S	*	*			trans	104.9	132.9	149.9	0	0	0	0	0	119.7
60	L	26.6	Very low	35.4	Very low	176 Å²	176	132.4 Å²	132.4	92%	0.921	80%	0.796	S	S	*	*				-176.5	162.6	129.1	-97.5	166	0	0	0	112.8
61	Y	28.8	Very low	36.8	Very low	218 Å²	218	133.5 Å²	133.5	86%	0.855	79%	0.794	S	S	*	*			trans	-98.6	178.4	-177.4	-90.1	-88.1	0	0	0	111.8
62	P	45.2	Very low	37.3	Very low	113 Å²	113	127.1 Å²	127.1	73%	0.734	78%	0.784	S	S	*	*			cis	-120.9	-156.5	17.4	27.5	-0.6	0	0	0	113
63	S	29.1	Very low	38.5	Very low	114 Å²	114	126.5 Å²	126.5	80%	0.797	78%	0.783	S	S	*	*			cis	-156.8	178.2	23.7	-62.5	0	0	0	0	113.5
64	G	27.9	Very low	38.9	Very low	70 Å²	70	126.5 Å²	126.5	72%	0.722	78%	0.778	S	S	*	*			trans	-105.7	-164.6	171.4	0	0	0	0	0	114.2
65	P	51	Low	38.8	Very low	115 Å²	115	129 Å²	129	75%	0.747	79%	0.785	S	S	*	*			cis	-144.6	179.5	38.7	42.5	-23.4	0	0	0	119.2
66	Y	28.8	Very low	38.5	Very low	233 Å²	233	126.2 Å²	126.2	91%	0.914	78%	0.779	S	S	*	*			trans	81.1	157.2	161.8	-79	-72.2	0	0	0	122.3
67	Q	36.2	Very low	37.9	Very low	159 Å²	159	124.9 Å²	124.9	74%	0.743	77%	0.773	S	S	*	*			trans	-144.6	-178.8	-162.8	-126.7	-166.2	4.5	0	0	108.3
68	P	52.6	Low	37.9	Very low	119 Å²	119	131.9 Å²	131.9	77%	0.773	78%	0.779	S	S	*	*			cis	-143.4	-163.3	39.5	41.9	-19.3	0	0	0	116.6
69	V	37.7	Very low	37.6	Very low	113 Å²	113	131.1 Å²	131.1	69%	0.685	77%	0.774	S	S	*	*			trans	-130	156.3	-169.7	174.6	0	0	0	0	110.9
70	P	53.1	Low	39.1	Very low	118 Å²	118	132.5 Å²	132.5	77%	0.766	78%	0.775	S	S	*	*			trans	-118.8	162.8	152.6	34.2	-22.1	0	0	0	114
71	P	54.8	Low	39.9	Very low	122 Å²	122	128.7 Å²	128.7	79%	0.792	77%	0.769	S	S	*	*			trans	-123.2	-171.7	-140.7	42.6	-31	0	0	0	117.4
72	G	36.4	Very low	40.7	Very low	62 Å²	62	124.2 Å²	124.2	64%	0.639	77%	0.767	S	S	*	*			trans	-72.5	-156.9	164.3	0	0	0	0	0	113.4
73	P	54.2	Low	40	Very low	119 Å²	119	123.4 Å²	123.4	77%	0.773	77%	0.769	S	S	*	*				-166.9	-179.8	76.5	45.5	-23.8	0	0	0	120.6
74	Q	33.4	Very low	40.4	Very low	176 Å²	176	127 Å²	127	82%	0.822	77%	0.774	S	S	*	*			trans	66.3	158.2	157.5	-40.2	-159	-16.3	0	0	121
75	V	30.4	Very low	41.3	Very low	133 Å²	133	129 Å²	129	81%	0.806	77%	0.774	S	S	*	*			cis	-137.9	166.8	7.2	-167.3	0	0	0	0	110.8
76	G	29.6	Very low	40.3	Very low	66 Å²	66	130.5 Å²	130.5	68%	0.68	78%	0.775	S	S	*	*			trans	-85.2	-158.1	171.7	0	0	0	0	0	115.3
77	S	30.1	Very low	40.6	Very low	103 Å²	103	126.4 Å²	126.4	72%	0.72	77%	0.768	S	S	*	*			cis	-173.8	160.5	4.3	54.1	0	0	0	0	112.8
78	Y	28.5	Very low	41.1	Very low	217 Å²	217	124.2 Å²	124.2	85%	0.851	77%	0.768	S	S	*	*			trans	69.9	171.6	166	-72.8	-70.1	0	0	0	117.3
79	P	48	Very low	40.2	Very low	116 Å²	116	127.9 Å²	127.9	75%	0.753	77%	0.766	S	S	*	*				-130.2	-122.9	-86.2	41.5	-17.8	0	0	0	115.9
80	P	59.2	Low	40.7	Very low	120 Å²	120	127.9 Å²	127.9	78%	0.779	77%	0.768	S	S	*	*			trans	-98.8	-176.8	-147.4	44.8	-36.5	0	0	0	116.8
81	A	43.1	Very low	39.8	Very low	97 Å²	97	128.2 Å²	128.2	80%	0.802	76%	0.76	S	S	*	*			trans	-83.9	151	-167.4	0	0	0	0	0	117.6
82	P	45.2	Very low	38.8	Very low	123 Å²	123	129.2 Å²	129.2	80%	0.799	76%	0.757	S	S	*	*			trans	-115.5	176.3	154.1	39.1	-28.9	0	0	0	111.3
83	A	29.9	Very low	38.5	Very low	96 Å²	96	129.1 Å²	129.1	79%	0.793	76%	0.755	S	S	*	*			cis	168.2	158.6	-24.7	0	0	0	0	0	106.1
84	Q	37.8	Very low	37.4	Very low	191 Å²	191	131 Å²	131	89%	0.893	76%	0.758	S	S	*	*			trans	-109.5	160.1	-179.9	-85.1	-162.3	-4.8	0	0	114.7
85	P	48.1	Very low	37.3	Very low	111 Å²	111	130.1 Å²	130.1	72%	0.721	76%	0.758	S	S	*	*			trans	-144.6	165.3	137.7	36.9	-21.2	0	0	0	115.6
86	L	29.3	Very low	39	Very low	146 Å²	146	128.8 Å²	128.8	76%	0.764	75%	0.752	S	S	*	*			cis	-170	113.4	-29.6	-109.1	175.6	0	0	0	111
87	L	34.1	Very low	39	Very low	148 Å²	148	130.1 Å²	130.1	78%	0.775	75%	0.75	S	S	*	*			trans	63	175	150.2	-70.8	179.1	0	0	0	120
88	P	48.5	Very low	39	Very low	113 Å²	113	133.7 Å²	133.7	73%	0.734	76%	0.756	S	S	*	*			cis	-118	144.6	2.5	37.4	-20.9	0	0	0	116.2
89	R	33.5	Very low	39.3	Very low	195 Å²	195	129.6 Å²	129.6	74%	0.736	75%	0.753	S	S	*	*				79.3	142	78	-157	-168.7	171.8	165.5	1.8	112.7	Q91	R89-Q91 VanDerWaalsContact CZ-OE1 3.25Å
90	P	46.9	Very low	40	Very low	113 Å²	113	129.5 Å²	129.5	73%	0.734	75%	0.753	S	S	*	*			cis	-119.3	-136.5	12.9	43.3	-28.3	0	0	0	114.4
91	Q	35.4	Very low	39.7	Very low	126 Å²	126	128.6 Å²	128.6	59%	0.589	75%	0.747	S	S	*	*				-146.3	177	-88.5	-88.1	163	-131.8	0	0	108.4	R89	R89-Q91 VanDerWaalsContact CZ-OE1 3.25Å
92	I	32.8	Very low	39.3	Very low	143 Å²	143	132.5 Å²	132.5	73%	0.733	75%	0.749	S	S	*	*			cis	-141.9	-170.6	5.5	-137.1	170.6	0	0	0	106.8
93	G	31.3	Very low	38.7	Very low	59 Å²	59	131.5 Å²	131.5	61%	0.608	74%	0.744	S	S	*	*			cis	116.5	148.1	17.1	0	0	0	0	0	111
94	I	31.2	Very low	38.6	Very low	159 Å²	159	131.6 Å²	131.6	82%	0.815	75%	0.745	S	S	*	*			cis	-152.7	175.1	0.6	-103.7	169.3	0	0	0	109.2
95	L	30.8	Very low	38.6	Very low	157 Å²	157	127.9 Å²	127.9	82%	0.822	74%	0.74	S	S	*	*			trans	-128	176.8	-175.1	-85.5	144.7	0	0	0	110.5
96	P	65.8	Low	38.5	Very low	105 Å²	105	128.3 Å²	128.3	68%	0.682	74%	0.743	S	S	*	*			cis	-137.7	-164	-26.2	35.2	-14.1	0	0	0	114
97	S	29.4	Very low	39	Very low	94 Å²	94	126.9 Å²	126.9	66%	0.657	75%	0.745	S	S	*	*			trans	107.4	152.2	138.9	77.4	0	0	0	0	123.3
98	H	30.2	Very low	39.6	Very low	179 Å²	179	126 Å²	126	83%	0.829	75%	0.749	S	S	*	*			trans	77.9	156	163.9	-63.7	-68.4	0	0	0	122.9
99	T	35.4	Very low	38.7	Very low	131 Å²	131	124 Å²	124	80%	0.804	75%	0.749	S	S	*	*			trans	-151.6	179.2	-178.9	55.6	0	0	0	0	109.1
100	P	62	Low	39.6	Very low	114 Å²	114	121 Å²	121	74%	0.74	75%	0.754	S	S	*	*				-104	-168.1	-64.3	43.5	-31.5	0	0	0	110.2
101	P	53.4	Low	38.9	Very low	101 Å²	101	127 Å²	127	66%	0.656	76%	0.762	S	S	*	*				-160.3	175.7	76.4	43.8	-22.5	0	0	0	118.4
102	Q	33.6	Very low	39.7	Very low	179 Å²	179	126.6 Å²	126.6	84%	0.836	77%	0.77	S	S	*	*			trans	60.7	155.6	150.4	-73.7	171.4	23.1	0	0	120.7
103	S	32.6	Very low	39.7	Very low	102 Å²	102	124.2 Å²	124.2	71%	0.713	77%	0.772	S	S	*	*			cis	-171.4	169.1	-21.2	55.8	0	0	0	0	112.6
104	A	28.9	Very low	39.8	Very low	97 Å²	97	130.5 Å²	130.5	80%	0.802	79%	0.786	S	S	*	*			trans	95.1	135.3	154.9	0	0	0	0	0	120.9
105	S	36.9	Very low	39.8	Very low	114 Å²	114	127.5 Å²	127.5	80%	0.797	78%	0.784	S	S	*	*			trans	-93.3	-167.9	170.1	-31.1	0	0	0	0	109.7
106	P	45.5	Very low	39.9	Very low	120 Å²	120	126.4 Å²	126.4	78%	0.779	78%	0.784	S	S	*	*			cis	-148.6	178.9	36.9	43.9	-22.6	0	0	0	118.5
107	S	40	Very low	39.2	Very low	116 Å²	116	126.7 Å²	126.7	81%	0.811	79%	0.786	S	S	*	*			trans	-96.1	149.3	155.9	-44.4	0	0	0	0	109.6
108	P	47.3	Very low	40.2	Very low	130 Å²	130	128.4 Å²	128.4	84%	0.844	80%	0.795	S	S	*	*				-158.4	176.3	107.1	40.1	-22	0	0	0	116
109	G	30.4	Very low	40.5	Very low	71 Å²	71	124.1 Å²	124.1	73%	0.732	79%	0.791	S	S	*	*			trans	149.9	149.2	154	0	0	0	0	0	117.4
110	P	51.7	Low	40.4	Very low	132 Å²	132	127.3 Å²	127.3	86%	0.857	80%	0.797	S	S	*	*			trans	-129	179.7	-166.4	40.1	-21.7	0	0	0	118.6
111	R	33.1	Very low	39	Very low	239 Å²	239	126.4 Å²	126.4	90%	0.902	80%	0.798	S	S	*	*			trans	-27.1	167.1	165.8	-63.5	-178.1	177.1	-170.3	-0.6	118.3
112	P	51.5	Low	38.4	Very low	116 Å²	116	128.1 Å²	128.1	75%	0.753	81%	0.807	S	S	*	*			cis	-148.8	175.5	24.9	44	-24.1	0	0	0	120.7
113	A	33	Very low	39.1	Very low	93 Å²	93	125.6 Å²	125.6	77%	0.769	81%	0.807	S	S	*	*			trans	66.7	158.6	154.5	0	0	0	0	0	118.6
114	Q	32.5	Very low	40.1	Very low	192 Å²	192	126.5 Å²	126.5	90%	0.897	81%	0.81	S	S	*	*			cis	-155.3	-179.9	0.2	-143.4	173.1	7.7	0	0	111.3
115	A	31.6	Very low	40.9	Very low	95 Å²	95	127.4 Å²	127.4	79%	0.785	81%	0.807	S	S	*	*			trans	91.1	149.4	163.3	0	0	0	0	0	121.3
116	T	33.5	Very low	41.4	Very low	135 Å²	135	128.3 Å²	128.3	83%	0.828	81%	0.811	S	S	*	*			trans	-148.9	-180	-178.7	56.4	0	0	0	0	107.9
117	P	50.6	Low	40.9	Very low	111 Å²	111	127 Å²	127	72%	0.721	81%	0.81	S	S	*	*			cis	-122.3	-165.4	-10.8	41.8	-25.4	0	0	0	112.5
118	P	50.3	Low	40.6	Very low	130 Å²	130	128.5 Å²	128.5	84%	0.844	81%	0.814	S	S	*	*				-140.3	-174.8	114	39.6	-27.7	0	0	0	113.7
119	A	35.9	Very low	39.8	Very low	89 Å²	89	128.8 Å²	128.8	74%	0.736	81%	0.813	S	S	*	*			trans	-144.2	156.3	-170.3	0	0	0	0	0	115.6
120	Q	35	Very low	39.9	Very low	198 Å²	198	130.8 Å²	130.8	93%	0.925	82%	0.816	S	S	*	*			trans	65.3	146.4	166.5	-62.9	177.6	-15.9	0	0	116.7
121	A	32.3	Very low	38.8	Very low	94 Å²	94	131.3 Å²	131.3	78%	0.777	82%	0.817	S	S	*	*			cis	-147.9	171.3	14.1	0	0	0	0	0	113.1
122	T	40.1	Very low	38.7	Very low	137 Å²	137	124.9 Å²	124.9	84%	0.84	81%	0.809	S	S	*	*			trans	-145.6	148.4	176.3	47.2	0	0	0	0	113.3
123	P	47.6	Very low	37.7	Very low	127 Å²	127	130.5 Å²	130.5	83%	0.825	82%	0.817	S	S	*	*			trans	-107	169	156.4	-5.9	27.3	0	0	0	113.9
124	P	53.6	Low	37.6	Very low	120 Å²	120	136.7 Å²	136.7	78%	0.779	82%	0.822	S	S	*	*			trans	-114	171	-156.1	41.4	-33.5	0	0	0	117.4
125	P	46.9	Very low	37.4	Very low	116 Å²	116	134.8 Å²	134.8	75%	0.753	82%	0.823	S	S	*	*			trans	-82.3	169.9	178.9	34.2	-37.8	0	0	0	115.1
126	P	46	Very low	37.2	Very low	134 Å²	134	133.6 Å²	133.6	87%	0.87	82%	0.821	S	S	*	*			trans	-72.4	153.1	-178.4	30.1	-37.1	0	0	0	114.1
127	A	35.4	Very low	38.5	Very low	93 Å²	93	133 Å²	133	77%	0.769	82%	0.819	S	S	*	*			trans	-111.6	151	-172.3	0	0	0	0	0	114.1
128	V	35	Very low	38.4	Very low	147 Å²	147	133.4 Å²	133.4	89%	0.891	82%	0.822	S	S	*	*			trans	-127.6	128	168.3	-175	0	0	0	0	107.3
129	T	30.1	Very low	37.5	Very low	135 Å²	135	130.6 Å²	130.6	83%	0.828	81%	0.81	S	S	*	*			trans	-144.3	134.5	177.1	45.5	0	0	0	0	112.7
130	S	31.5	Very low	37.1	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	81%	0.814	S	S	*	*			trans	-132.6	129	171.4	57	0	0	0	0	109.5
131	T	29.8	Very low	36.8	Very low	144 Å²	144	134.5 Å²	134.5	88%	0.883	80%	0.803	S	S	*	*			trans	-157.3	157.6	162	5.6	0	0	0	0	111.2
132	S	30.7	Very low	36.7	Very low	103 Å²	103	140.5 Å²	140.5	72%	0.72	81%	0.807	S	S	*	*			trans	-129.9	154.8	-172	46.6	0	0	0	0	111.3
133	Y	29.9	Very low	36	Very low	235 Å²	235	138.9 Å²	138.9	92%	0.922	81%	0.808	S	S	*	*			trans	-144.5	153.6	167	-94.2	-76.1	0	0	0	111.5
134	Y	30.4	Very low	35.4	Very low	223 Å²	223	137.2 Å²	137.2	88%	0.875	80%	0.804	S	S	*	*			trans	-96.2	146.6	-174.3	-87.8	-108.4	0	0	0	113
135	T	28.8	Very low	35.1	Very low	151 Å²	151	136.8 Å²	136.8	93%	0.926	80%	0.802	S	S	*	*			trans	-161.4	159.3	134	20.4	0	0	0	0	111.2
136	G	28.7	Very low	34.3	Very low	71 Å²	71	142.8 Å²	142.8	73%	0.732	81%	0.81	S	S	*	*			trans	-106.7	-157.8	-166.5	0	0	0	0	0	117.7
137	P	59.5	Low	33.5	Very low	123 Å²	123	139.7 Å²	139.7	80%	0.799	80%	0.802	S	S	*	*			trans	-111.9	-176.1	-137.9	46.5	-40.9	0	0	0	114.3
138	P	49.5	Very low	33.9	Very low	119 Å²	119	141.6 Å²	141.6	77%	0.773	81%	0.807	S	S	*	*				-155.6	144.3	82.9	39.1	-18.2	0	0	0	119.6
139	A	30.6	Very low	33.9	Very low	71 Å²	71	138.8 Å²	138.8	59%	0.587	80%	0.798	S	S	*	*			trans	44.5	161.4	131.2	0	0	0	0	0	126.5
140	W	28.4	Very low	34.7	Very low	218 Å²	218	137.5 Å²	137.5	83%	0.826	79%	0.792	S	S	*	*			trans	81.8	146.2	159.2	-52.2	122.5	0	0	0	119.1
141	Q	27.4	Very low	34.6	Very low	150 Å²	150	138.4 Å²	138.4	70%	0.701	79%	0.788	S	S	*	*			cis	-162.4	167.3	-23.3	-162	163	16.2	0	0	111.2
142	Y	29.8	Very low	34.6	Very low	221 Å²	221	139.9 Å²	139.9	87%	0.867	79%	0.785	S	S	*	*			trans	-32.4	145.6	176.4	-75.7	-110.5	0	0	0	119.6
143	A	27.2	Very low	34.6	Very low	103 Å²	103	141.5 Å²	141.5	85%	0.851	79%	0.79	S	S	*	*				-175.9	153	120.2	0	0	0	0	0	115
144	A	34.1	Very low	34.8	Very low	91 Å²	91	137.2 Å²	137.2	75%	0.752	78%	0.783	S	S	*	*			trans	-132.1	164.9	156.8	0	0	0	0	0	106.6
145	P	48.1	Very low	35.2	Very low	112 Å²	112	132.3 Å²	132.3	73%	0.727	78%	0.779	S	S	*	*				-162.2	-167.6	68.1	43.4	-20.3	0	0	0	117.7
146	R	29.5	Very low	35.2	Very low	242 Å²	242	129.5 Å²	129.5	91%	0.913	77%	0.771	S	S	*	*			trans	78.2	141.4	157.1	-68.4	175.3	-179.3	-164.5	-0.7	120.2
147	G	28.6	Very low	35.2	Very low	69 Å²	69	130.9 Å²	130.9	71%	0.711	78%	0.775	S	S	*	*			trans	-95.7	-161.2	163.1	0	0	0	0	0	112.3
148	P	44.8	Very low	33.6	Very low	133 Å²	133	130 Å²	130	86%	0.864	78%	0.778	S	S	*	*				-140.8	-168.7	54.4	41.4	-23.5	0	0	0	115.9
149	A	33.5	Very low	32.8	Very low	87 Å²	87	128.7 Å²	128.7	72%	0.719	78%	0.777	S	S	*	*			trans	-81.5	-175	170.5	0	0	0	0	0	111
150	P	47.8	Very low	34.2	Very low	108 Å²	108	131 Å²	131	70%	0.701	79%	0.786	S	S	*	*			cis	-151.9	-168.3	26.4	46.5	-24.4	0	0	0	119.2
151	N	30.4	Very low	35.1	Very low	132 Å²	132	125.6 Å²	125.6	71%	0.706	78%	0.78	S	S	*	*			trans	79.6	100.1	147.9	-72	-0.4	0	0	0	123.6
152	H	29.4	Very low	35.2	Very low	176 Å²	176	126 Å²	126	82%	0.815	79%	0.786	S	S	*	*				73.2	159.8	115	-80.1	-64.6	0	0	0	124.3
153	V	29.2	Very low	35.3	Very low	136 Å²	136	122.5 Å²	122.5	82%	0.824	78%	0.779	S	S	*	*			trans	89.1	117.2	166.5	-165.5	0	0	0	0	117.1
154	N	34.1	Very low	35.5	Very low	146 Å²	146	122.2 Å²	122.2	78%	0.781	77%	0.771	S	S	*	*			trans	-111.1	146.2	169.7	-162.7	9.4	0	0	0	106.4
155	P	40.6	Very low	35.5	Very low	120 Å²	120	126 Å²	126	78%	0.779	77%	0.773	S	S	*	*				-148.5	-178.3	113.6	38.8	-22.3	0	0	0	114.8
156	A	27.9	Very low	34.8	Very low	92 Å²	92	125.5 Å²	125.5	76%	0.76	77%	0.771	S	S	*	*			trans	-96.5	160.7	-164.3	0	0	0	0	0	116.4
157	A	28.3	Very low	34.9	Very low	99 Å²	99	118.8 Å²	118.8	82%	0.818	76%	0.761	S	S	*	*			trans	77.6	161.2	141.6	0	0	0	0	0	121.4
158	A	26.5	Very low	35	Very low	105 Å²	105	121.3 Å²	121.3	87%	0.868	76%	0.763	S	S	*	*			trans	78.5	121.8	173.3	0	0	0	0	0	118.8
159	A	33.1	Very low	34.4	Very low	91 Å²	91	124.1 Å²	124.1	75%	0.752	77%	0.765	S	S	*	*			trans	-106.2	-166.5	170.2	0	0	0	0	0	109.3
160	P	60.3	Low	35.3	Very low	120 Å²	120	125.1 Å²	125.1	78%	0.779	76%	0.764	S	S	*	*			cis	-113.8	-158.6	-18	36.6	-17.9	0	0	0	110.7
161	P	47.4	Very low	35.3	Very low	105 Å²	105	126 Å²	126	68%	0.682	77%	0.77	S	S	*	*				-162.6	-174.2	91.3	45	-24.7	0	0	0	117.9
162	L	28.6	Very low	35.2	Very low	158 Å²	158	123 Å²	123	83%	0.827	77%	0.77	S	S	*	*			trans	64.6	158.1	161	-90.2	74.4	0	0	0	119.3
163	M	32	Very low	36.3	Very low	147 Å²	147	121.2 Å²	121.2	72%	0.724	78%	0.775	S	S	*	*			cis	-171.9	164.7	-40	-116.5	-63	176.7	0	0	111.1
164	S	31.7	Very low	36.1	Very low	97 Å²	97	118.6 Å²	118.6	68%	0.678	78%	0.775	S	S	*	*			trans	67.1	149.7	164.5	75.5	0	0	0	0	118.3
165	H	34.1	Very low	35.9	Very low	172 Å²	172	116.2 Å²	116.2	80%	0.796	78%	0.775	S	S	*	*			cis	-173.7	163.3	-21.9	-96.4	-24.8	0	0	0	107.5
166	S	32.4	Very low	36.9	Very low	100 Å²	100	116.5 Å²	116.5	70%	0.699	78%	0.777	S	S	*	*			cis	-170	170.6	-20.4	69.1	0	0	0	0	107.2
167	S	33.1	Very low	37.5	Very low	101 Å²	101	117.5 Å²	117.5	71%	0.706	78%	0.776	S	S	*	*			cis	-134.7	-117.2	-12.7	29.1	0	0	0	0	110.2
168	T	29.7	Very low	37.5	Very low	122 Å²	122	118.8 Å²	118.8	75%	0.748	77%	0.774	S	S	*	*			cis	-144.4	73.7	1	48.6	0	0	0	0	112.4
169	Q	32.1	Very low	37.7	Very low	192 Å²	192	117.9 Å²	117.9	90%	0.897	76%	0.761	S	S	*	*			trans	68.1	166	146.9	-82.8	-157.4	-26.3	0	0	121.5
170	P	53.3	Low	37.6	Very low	109 Å²	109	120.8 Å²	120.8	71%	0.708	76%	0.762	S	S	*	*			trans	-125	-138	-150.4	37.9	-14.3	0	0	0	110.2
171	P	47.3	Very low	36.2	Very low	125 Å²	125	123.1 Å²	123.1	81%	0.812	76%	0.762	S	S	*	*			cis	-136	-173.7	-16.1	41	-22.9	0	0	0	115.3
172	G	27.2	Very low	35.3	Very low	70 Å²	70	121.1 Å²	121.1	72%	0.722	76%	0.761	S	S	*	*			trans	135.7	149.5	138.7	0	0	0	0	0	116.9
173	P	52.7	Low	35.4	Very low	139 Å²	139	122.2 Å²	122.2	90%	0.903	76%	0.76	S	S	*	*			trans	-112.2	162.4	-174.8	40.9	-32.6	0	0	0	114.7
174	G	25.7	Very low	35.1	Very low	81 Å²	81	121.9 Å²	121.9	84%	0.835	77%	0.766	S	S	*	*			trans	178.2	152.2	167	0	0	0	0	0	114.6
175	A	29	Very low	35.1	Very low	95 Å²	95	125.5 Å²	125.5	79%	0.785	77%	0.772	S	S	*	*			trans	-154.9	160.6	170.4	0	0	0	0	0	110.2
176	P	63.3	Low	35.5	Very low	126 Å²	126	123.1 Å²	123.1	82%	0.818	77%	0.772	S	S	*	*			cis	-93.7	-92.1	-11.9	16.8	3.9	0	0	0	112.2
177	P	40.5	Very low	35.3	Very low	113 Å²	113	121.3 Å²	121.3	73%	0.734	77%	0.769	S	S	*	*			cis	-122.5	-170.7	-1.7	43.3	-27.3	0	0	0	115.5
178	T	28	Very low	35.2	Very low	127 Å²	127	122.2 Å²	122.2	78%	0.779	78%	0.775	S	S	*	*			trans	-61.8	166.4	162.9	44.3	0	0	0	0	114.9
179	S	31	Very low	35.2	Very low	85 Å²	85	121.2 Å²	121.2	59%	0.594	78%	0.779	S	S	*	*			cis	175.3	-171.1	-14	58.4	0	0	0	0	109.3
180	I	29.6	Very low	35.3	Very low	153 Å²	153	117.7 Å²	117.7	79%	0.785	77%	0.773	S	S	*	*			trans	72.7	147.6	159.5	-65.3	158.3	0	0	0	116
181	H	32.2	Very low	35.1	Very low	168 Å²	168	118.2 Å²	118.2	78%	0.778	78%	0.777	S	S	*	*			cis	-171.1	164.8	-35.5	-120.6	-72.4	0	0	0	109.6
182	G	27.3	Very low	34.6	Very low	63 Å²	63	117.9 Å²	117.9	65%	0.649	77%	0.774	S	S	*	*			trans	163.6	88.8	167.1	0	0	0	0	0	113.4
183	F	30.3	Very low	34.6	Very low	182 Å²	182	123.4 Å²	123.4	80%	0.798	78%	0.784	S	S	*	*				66.1	134.2	89.6	-76.3	-72.3	0	0	0	114.3
184	T	27.6	Very low	33.6	Very low	139 Å²	139	123.6 Å²	123.6	85%	0.853	78%	0.777	S	S	*	*			cis	-145	177	29.1	-14.4	0	0	0	0	115
185	Q	30.8	Very low	34.1	Very low	173 Å²	173	125.7 Å²	125.7	81%	0.808	78%	0.776	S	S	*	*			trans	-115.2	-168.1	178.4	-124.1	-165.7	34.3	0	0	111.2
186	P	42.9	Very low	34	Very low	123 Å²	123	128.3 Å²	128.3	80%	0.799	78%	0.776	S	S	*	*			cis	-129.7	-159.8	17.4	46.2	-27.9	0	0	0	113.4
187	G	28.9	Very low	33.2	Very low	62 Å²	62	127.8 Å²	127.8	64%	0.639	77%	0.772	S	S	*	*			cis	166	166.8	-13.2	0	0	0	0	0	116
188	S	30.4	Very low	33.4	Very low	120 Å²	120	127.8 Å²	127.8	84%	0.839	77%	0.772	S	S	*	*			trans	53.7	106.4	157.1	61.8	0	0	0	0	125.4
189	A	28.3	Very low	33.6	Very low	100 Å²	100	130 Å²	130	83%	0.826	77%	0.774	S	S	*	*			trans	57.7	169.9	136.8	0	0	0	0	0	121.7
190	P	35.7	Very low	33.6	Very low	118 Å²	118	132 Å²	132	77%	0.766	78%	0.782	S	S	*	*			cis	-120.5	-168.7	-22.1	42.7	-27.5	0	0	0	112.3
191	P	49.4	Very low	33.6	Very low	121 Å²	121	135.7 Å²	135.7	79%	0.786	79%	0.788	S	S	*	*			trans	-105.5	143	-179.2	37.1	-31.1	0	0	0	116.8
192	P	35	Very low	33.6	Very low	118 Å²	118	135.6 Å²	135.6	77%	0.766	79%	0.788	S	S	*	*			trans	-102.6	149.5	157.8	36.9	-29	0	0	0	111
193	M	29.1	Very low	34.3	Very low	186 Å²	186	138.1 Å²	138.1	92%	0.916	79%	0.793	S	S	*	*			cis	84	135.4	27.5	-145.8	174.5	-164	0	0	115.8
194	N	31.1	Very low	34.3	Very low	143 Å²	143	136.3 Å²	136.3	77%	0.765	79%	0.791	S	S	*	*			trans	-61	159.9	-168.8	-78	2.8	0	0	0	116.3
195	P	35	Very low	34.5	Very low	124 Å²	124	141.3 Å²	141.3	81%	0.805	80%	0.795	S	S	*	*			trans	-123.6	134.2	136.2	35	-25.2	0	0	0	114.5
196	L	28.7	Very low	34.9	Very low	150 Å²	150	139.2 Å²	139.2	79%	0.785	80%	0.796	S	S	*	*			trans	-95.9	177.9	144.7	-80	111.5	0	0	0	107.4
197	P	46.4	Very low	34.3	Very low	115 Å²	115	137.6 Å²	137.6	75%	0.747	79%	0.793	S	S	*	*			cis	-127.8	-149	6	45	-25.9	0	0	0	110.4
198	P	44.5	Very low	34.6	Very low	113 Å²	113	146 Å²	146	73%	0.734	81%	0.808	S	S	*	*			cis	-130.3	-173.7	-10.3	41.1	-22.3	0	0	0	115.9
199	H	32.2	Very low	34.9	Very low	174 Å²	174	143.4 Å²	143.4	81%	0.806	80%	0.799	S	S	*	*			trans	-68.7	150.1	-177.7	-45.9	-95.3	0	0	0	115
200	T	31.3	Very low	35.6	Very low	126 Å²	126	144.8 Å²	144.8	77%	0.773	80%	0.8	S	S	*	*				-173.5	150.2	113.3	17.9	0	0	0	0	114.7
201	Y	28.5	Very low	35.8	Very low	231 Å²	231	144.5 Å²	144.5	91%	0.906	80%	0.798	S	S	*	*			trans	58	142.4	161.7	-79.3	-77.2	0	0	0	123.3
202	Q	31.8	Very low	35.6	Very low	166 Å²	166	145.1 Å²	145.1	78%	0.776	80%	0.802	S	S	*	*			trans	-106.8	165.9	179.4	-143.7	-179.8	18.4	0	0	108.9
203	P	43.3	Very low	35.6	Very low	117 Å²	117	145.9 Å²	145.9	76%	0.76	80%	0.804	S	S	*	*				-153	154.2	89.8	37.8	-18.8	0	0	0	118.4
204	N	28.6	Very low	36	Very low	143 Å²	143	146.1 Å²	146.1	77%	0.765	81%	0.806	S	S	*	*			trans	47	115.2	149.4	-72.5	-3.4	0	0	0	123.6
205	R	32	Very low	36.1	Very low	244 Å²	244	149.1 Å²	149.1	92%	0.921	81%	0.812	S	S	*	*				-130.5	148.2	123.3	-82.2	-171	173.3	-173.5	-1.8	109.3
206	P	40.7	Very low	36.3	Very low	129 Å²	129	149 Å²	149	84%	0.838	81%	0.811	S	S	*	*			trans	-80.6	163.1	-175.6	33.4	-36.1	0	0	0	113.2
207	A	30.5	Very low	36.6	Very low	90 Å²	90	148.8 Å²	148.8	74%	0.744	82%	0.816	S	S	*	*			trans	-138.8	148	-169.6	0	0	0	0	0	115.3
208	Y	35.1	Very low	36.1	Very low	239 Å²	239	147.8 Å²	147.8	94%	0.937	82%	0.818	S	S	*	*			trans	-145.8	148	161.9	-59.8	-90.6	0	0	0	107.1
209	G	36	Very low	36	Very low	64 Å²	64	148.1 Å²	148.1	66%	0.66	82%	0.82	S	S	*	*			cis	-163	163.8	-7.4	0	0	0	0	0	109.5
210	P	42.8	Very low	36.8	Very low	129 Å²	129	146.1 Å²	146.1	84%	0.838	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-80.1	150.4	-167.7	31	-35.3	0	0	0	114.2
211	P	39.9	Very low	37	Very low	112 Å²	112	145 Å²	145	73%	0.727	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-81.4	156.4	177.1	34.3	-36.1	0	0	0	112.9
212	P	44.8	Very low	37.1	Very low	134 Å²	134	137.4 Å²	137.4	87%	0.87	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-81	121.7	-179.5	31.3	-33.9	0	0	0	113.1
213	T	35.9	Very low	38	Very low	134 Å²	134	135.4 Å²	135.4	82%	0.822	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-96.6	130.9	168.7	53.5	0	0	0	0	111.4
214	M	37.2	Very low	38.4	Very low	191 Å²	191	135.7 Å²	135.7	94%	0.941	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-76.1	137.8	169.7	-70.7	-175.2	171.4	0	0	112
215	K	32.3	Very low	38.5	Very low	206 Å²	206	132.3 Å²	132.3	90%	0.896	82%	0.82	S	S	*	*			trans	-148.7	162.2	155.6	-98.9	-167	-179.8	179.7	0	110.6
216	P	39.6	Very low	38.6	Very low	121 Å²	121	126.7 Å²	126.7	79%	0.786	81%	0.813	S	S	*	*			trans	-99.6	166.4	-149.5	38.1	-38	0	0	0	115.9
217	T	36	Very low	38.2	Very low	147 Å²	147	127.5 Å²	127.5	90%	0.902	82%	0.816	S	S	*	*			trans	-107.7	153.8	169.2	41.5	0	0	0	0	112.2
218	A	35.2	Very low	38.3	Very low	94 Å²	94	126.8 Å²	126.8	78%	0.777	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-101.4	161.6	-175.1	0	0	0	0	0	113
219	P	41.6	Very low	38.3	Very low	120 Å²	120	122.1 Å²	122.1	78%	0.779	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-93.6	153	-175.7	36.4	-35.3	0	0	0	114.6
220	P	50.7	Low	39	Very low	132 Å²	132	124.4 Å²	124.4	86%	0.857	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-88.3	172.9	161.5	35.8	-32.4	0	0	0	112.7
221	A	34.7	Very low	39.7	Very low	102 Å²	102	123.7 Å²	123.7	84%	0.843	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-90.9	167.3	-165.9	0	0	0	0	0	116.4
222	G	29.8	Very low	40.3	Very low	71 Å²	71	123.8 Å²	123.8	73%	0.732	81%	0.813	S	S	*	*			trans	-84	-151.2	167.1	0	0	0	0	0	112.9
223	P	50.9	Low	41	Very low	125 Å²	125	123 Å²	123	81%	0.812	81%	0.807	S	S	*	*			cis	-132.6	-147.1	14.8	47	-29.1	0	0	0	111
224	P	52.7	Low	40.9	Very low	123 Å²	123	126.1 Å²	126.1	80%	0.799	81%	0.809	S	S	*	*			cis	-131.6	168.3	-19.6	39.3	-23	0	0	0	116.3
225	G	31.2	Very low	40.8	Very low	71 Å²	71	121 Å²	121	73%	0.732	80%	0.797	S	S	*	*			trans	94.8	149.7	153.9	0	0	0	0	0	117.5
226	T	32.1	Very low	40.7	Very low	126 Å²	126	119.1 Å²	119.1	77%	0.773	80%	0.797	S	S	*	*			cis	-155.2	144.8	-7.3	45.8	0	0	0	0	111.2
227	T	32.6	Very low	40.2	Very low	147 Å²	147	117.3 Å²	117.3	90%	0.902	80%	0.8	S	S	*	*			trans	58.6	142.4	160.7	53.2	0	0	0	0	119
228	G	32.9	Very low	39.9	Very low	74 Å²	74	118.1 Å²	118.1	76%	0.763	80%	0.799	S	S	*	*			cis	-151.2	-167.1	8.9	0	0	0	0	0	113.8
229	T	36.1	Very low	39.6	Very low	141 Å²	141	119.6 Å²	119.6	87%	0.865	80%	0.798	S	S	*	*			trans	-97.2	165.7	-155.4	38.1	0	0	0	0	117
230	P	51.1	Low	38.9	Very low	112 Å²	112	118.8 Å²	118.8	73%	0.727	80%	0.801	S	S	*	*			trans	-99.2	-136.1	-177.7	38.3	-23.6	0	0	0	109.3
231	P	56.4	Low	37.7	Very low	114 Å²	114	115.9 Å²	115.9	74%	0.74	80%	0.796	S	S	*	*			cis	-126.4	-131.1	-17.6	29.8	-2.1	0	0	0	109.1
232	P	53.2	Low	37.4	Very low	115 Å²	115	119.5 Å²	119.5	75%	0.747	80%	0.801	S	S	*	*			cis	-133.1	-170.3	-9.3	44.9	-24	0	0	0	115
233	P	59.3	Low	37.3	Very low	116 Å²	116	119.2 Å²	119.2	75%	0.753	80%	0.798	S	S	*	*			trans	-127.7	-160	-149.6	47.3	-35.7	0	0	0	114.6
234	K	32.5	Very low	36.6	Very low	201 Å²	201	119.7 Å²	119.7	87%	0.874	80%	0.801	S	S	*	*			trans	168.5	166.6	137.3	-93.2	166.6	-178.6	-173.5	0	110.7
235	A	35	Very low	35.4	Very low	82 Å²	82	122.8 Å²	122.8	68%	0.678	81%	0.805	S	S	*	*			cis	-172.3	166.3	-37.5	0	0	0	0	0	109
236	D	30.6	Very low	35.3	Very low	168 Å²	168	124 Å²	124	90%	0.898	81%	0.808	S	S	*	*			trans	-33.3	151.4	-179.4	-44.9	-75.5	0	0	0	119.3
237	G	29.7	Very low	35.7	Very low	82 Å²	82	123.4 Å²	123.4	85%	0.845	81%	0.806	S	S	*	*			trans	173.9	115.9	167.8	0	0	0	0	0	113.4
238	D	30.4	Very low	35.4	Very low	164 Å²	164	123.7 Å²	123.7	88%	0.877	80%	0.802	S	S	*	*			trans	-103.3	175.4	-174.8	-137.4	-38.3	0	0	0	112.6
239	V	27.9	Very low	35	Very low	125 Å²	125	124.7 Å²	124.7	76%	0.758	80%	0.798	S	S	*	*			trans	87.2	106.1	167.2	-168.4	0	0	0	0	119.6
240	A	27.7	Very low	34.5	Very low	103 Å²	103	127.6 Å²	127.6	85%	0.851	79%	0.794	S	S	*	*			trans	65.2	129.2	144.3	0	0	0	0	0	122.7
241	G	25.9	Very low	33.4	Very low	72 Å²	72	128.6 Å²	128.6	74%	0.742	79%	0.793	S	S	*	*			trans	147	100.8	148.5	0	0	0	0	0	117.6
242	N	27.4	Very low	32	Very low	177 Å²	177	131 Å²	131	95%	0.947	79%	0.794	S	S	*	*			trans	53.3	135.8	156.1	-66.7	-13.5	0	0	0	121.6
243	G	28.4	Very low	30.8	Very low	66 Å²	66	131 Å²	131	68%	0.68	79%	0.792	S	S	*	*			trans	125.7	84.5	157.2	0	0	0	0	0	115.3
244	P	35	Very low	29.2	Very low	134 Å²	134	132.4 Å²	132.4	87%	0.87	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-73.8	130.2	178.7	29.9	-33.7	0	0	0	112.4
245	Q	28.6	Very low	28.9	Very low	189 Å²	189	128.3 Å²	128.3	88%	0.883	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-80.5	149.6	165.7	-66.8	177	-24.9	0	0	110.6
246	A	28.9	Very low	28.5	Very low	97 Å²	97	134.4 Å²	134.4	80%	0.802	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-100.9	146	163.6	0	0	0	0	0	110.1
247	P	39.2	Very low	28.3	Very low	112 Å²	112	135 Å²	135	73%	0.727	79%	0.786	S	S	*	*			trans	-138.3	143.9	134.1	36.2	-24.4	0	0	0	114.6
248	N	27	Very low	28.2	Very low	153 Å²	153	135.5 Å²	135.5	82%	0.818	78%	0.782	S	S	*	*			trans	65.3	127.4	150.4	-70.4	-8.9	0	0	0	122.3
249	S	25.4	Very low	28	Very low	95 Å²	95	131.5 Å²	131.5	66%	0.664	78%	0.779	S	S	*	*				109.7	107	125.7	-79.3	0	0	0	0	121.1
250	Y	26.1	Very low	27.8	Very low	202 Å²	202	130.1 Å²	130.1	79%	0.792	78%	0.781	S	S	*	*			trans	77	120.3	142.4	-70.4	-66.4	0	0	0	122.4
251	N	27.7	Very low	27.9	Very low	133 Å²	133	129.6 Å²	129.6	71%	0.711	78%	0.777	S	S	*	*			trans	91	109.1	138.5	-65.8	-13.9	0	0	0	121.9
252	H	27.3	Very low	29	Very low	165 Å²	165	131.9 Å²	131.9	76%	0.764	78%	0.779	S	S	*	*				99.9	133.9	124.9	-104	-83.4	0	0	0	122.5
253	V	26.5	Very low	30.3	Very low	116 Å²	116	129.4 Å²	129.4	70%	0.703	77%	0.772	S	S	*	*			trans	52.6	110.8	160.5	-83	0	0	0	0	123.2
254	D	25.8	Very low	30.3	Very low	145 Å²	145	129.5 Å²	129.5	78%	0.775	77%	0.773	S	S	*	*				66.8	153	116.9	-111.4	-51.5	0	0	0	125.8
255	N	27.1	Very low	30.1	Very low	115 Å²	115	133.6 Å²	133.6	62%	0.615	77%	0.772	S	S	*	*			trans	71.3	101.6	160.4	-86.5	-44.5	0	0	0	124.1
256	R	25.9	Very low	30.1	Very low	210 Å²	210	131.6 Å²	131.6	79%	0.792	76%	0.762	S	S	*	*				72.6	145.4	117.1	-76.3	-179.1	-173.6	-162.3	-1.3	124.4
257	M	26.9	Very low	30.1	Very low	179 Å²	179	134.9 Å²	134.9	88%	0.882	77%	0.765	S	S	*	*			trans	78.9	147	148.9	-79.7	175.6	149.3	0	0	119.1
258	A	27.5	Very low	29.5	Very low	94 Å²	94	132.7 Å²	132.7	78%	0.777	76%	0.763	S	S	*	*			cis	-163.8	164.3	-7.7	0	0	0	0	0	114.6
259	G	25.1	Very low	29.5	Very low	79 Å²	79	134.8 Å²	134.8	81%	0.814	77%	0.767	S	S	*	*			trans	106.9	142.5	150.4	0	0	0	0	0	117.1
260	A	25	Very low	29.8	Very low	96 Å²	96	140.8 Å²	140.8	79%	0.793	78%	0.777	S	S	*	*			cis	-157.7	133	-7.9	0	0	0	0	0	108.8
261	A	29	Very low	30.1	Very low	93 Å²	93	136.3 Å²	136.3	77%	0.769	77%	0.773	S	S	*	*				78.4	159.3	88.5	0	0	0	0	0	115.5
262	P	48.7	Very low	30	Very low	120 Å²	120	135 Å²	135	78%	0.779	77%	0.773	S	S	*	*			cis	-133.5	-145.3	-31.6	40.1	-20.4	0	0	0	110.9
263	P	55.4	Low	30.3	Very low	124 Å²	124	135.1 Å²	135.1	81%	0.805	78%	0.779	S	S	*	*			cis	-114.8	177.6	-49.1	33.3	-16.7	0	0	0	112.8
264	G	28.3	Very low	30.9	Very low	68 Å²	68	135 Å²	135	70%	0.701	78%	0.781	S	S	*	*			cis	162	172.9	-6.2	0	0	0	0	0	113.5
265	R	30.1	Very low	31.7	Very low	221 Å²	221	134 Å²	134	83%	0.834	78%	0.782	S	S	*	*			trans	72.9	149.3	176.4	-63.6	176.9	179.1	-134.7	8.1	116.4
266	H	28.8	Very low	31.7	Very low	147 Å²	147	131.8 Å²	131.8	68%	0.681	79%	0.787	S	S	*	*			cis	-145.8	-172	0.9	-116.3	-41.8	0	0	0	112.4
267	L	28.7	Very low	31.8	Very low	166 Å²	166	133.3 Å²	133.3	87%	0.869	79%	0.794	S	S	*	*			trans	-88.7	152.9	-169.9	-80.2	64	0	0	0	115.3
268	G	26.9	Very low	32	Very low	66 Å²	66	133.3 Å²	133.3	68%	0.68	79%	0.792	S	S	*	*				117.2	120.7	113.3	0	0	0	0	0	122.3
269	H	26.6	Very low	32.1	Very low	196 Å²	196	135.7 Å²	135.7	91%	0.907	79%	0.792	S	S	*	*			trans	66.3	158.7	141.6	-87.1	70.9	0	0	0	123.2
270	Y	33	Very low	32.3	Very low	221 Å²	221	137.9 Å²	137.9	87%	0.867	79%	0.79	S	S	*	*			trans	-76.6	147.4	178.9	-90.3	-94	0	0	0	114.1
271	P	32.6	Very low	32.5	Very low	109 Å²	109	138.2 Å²	138.2	71%	0.708	79%	0.786	S	S	*	*				-128.6	135.2	127.2	7.9	14.1	0	0	0	110.6
272	S	24.9	Very low	32.5	Very low	104 Å²	104	138.2 Å²	138.2	73%	0.727	79%	0.786	S	S	*	*				74.1	116.1	62.9	78.1	0	0	0	0	115.7
273	L	34.7	Very low	31.9	Very low	168 Å²	168	138.6 Å²	138.6	88%	0.88	79%	0.788	S	S	*	*			trans	-61.9	154.2	172.5	-74	158.3	0	0	0	112.7
274	P	39.1	Very low	31.2	Very low	114 Å²	114	138.2 Å²	138.2	74%	0.74	79%	0.786	S	S	*	*				-151.9	-166.4	98.2	39.7	-20.4	0	0	0	113.6
275	P	40.9	Very low	32.3	Very low	124 Å²	124	140.1 Å²	140.1	81%	0.805	79%	0.786	S	S	*	*				-121.7	166.8	-63.8	37.3	-23.4	0	0	0	112.9
276	G	27.5	Very low	32.4	Very low	69 Å²	69	134.6 Å²	134.6	71%	0.711	78%	0.781	S	S	*	*			trans	-95.1	-168.5	-173.9	0	0	0	0	0	116.8
277	Y	28.8	Very low	32.6	Very low	241 Å²	241	132.3 Å²	132.3	95%	0.945	78%	0.782	S	S	*	*			trans	-146.5	169.1	167.6	-106.1	-78.5	0	0	0	111.5
278	Q	30.1	Very low	32.7	Very low	180 Å²	180	132.5 Å²	132.5	84%	0.841	78%	0.783	S	S	*	*			trans	-109	139.6	-166.5	-62.1	172.4	-65.6	0	0	114.5
279	N	30.2	Very low	32.9	Very low	143 Å²	143	137.1 Å²	137.1	77%	0.765	79%	0.786	S	S	*	*			trans	37.7	123.1	131.3	-172	29.1	0	0	0	120.6
280	T	29.4	Very low	33.7	Very low	126 Å²	126	133.6 Å²	133.6	77%	0.773	78%	0.781	S	S	*	*				-173.9	141.2	124.4	18.4	0	0	0	0	115.7
281	S	28.7	Very low	33.9	Very low	102 Å²	102	126.6 Å²	126.6	71%	0.713	77%	0.768	S	S	*	*			trans	28.6	125.8	148.2	62.5	0	0	0	0	125.2
282	A	30.2	Very low	34	Very low	93 Å²	93	128 Å²	128	77%	0.769	77%	0.769	S	S	*	*				55.4	125.4	124.5	0	0	0	0	0	123.2
283	P	34.8	Very low	34.6	Very low	128 Å²	128	131.4 Å²	131.4	83%	0.831	77%	0.774	S	S	*	*			trans	-103.9	140.8	165.3	37.6	-30.3	0	0	0	114
284	P	40.7	Very low	34.7	Very low	116 Å²	116	128 Å²	128	75%	0.753	77%	0.769	S	S	*	*				-148.1	-178.6	123	39.3	-24.9	0	0	0	112.9
285	P	51.8	Low	34.3	Very low	109 Å²	109	126.4 Å²	126.4	71%	0.708	77%	0.766	S	S	*	*			cis	-129.8	-164.8	-38.4	35.1	-16.5	0	0	0	112.2
286	S	31.6	Very low	33.9	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	77%	0.769	S	S	*	*			trans	67.4	155.2	158.3	36.5	0	0	0	0	119.6
287	S	32.7	Very low	34.2	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	77%	0.774	S	S	*	*			cis	179.4	146.9	-29.4	53.9	0	0	0	0	109.9
288	L	31.1	Very low	35.1	Very low	169 Å²	169	125.9 Å²	125.9	89%	0.885	76%	0.763	S	S	*	*				176.6	136.2	128.5	-97.1	161.6	0	0	0	115.6
289	H	32.3	Very low	35.1	Very low	163 Å²	163	126.6 Å²	126.6	76%	0.755	76%	0.759	S	S	*	*			trans	-74.4	176.2	175.1	-74.3	-83.4	0	0	0	113.8	A291	H289-A291 HydrophobicContact CB-CB 4.37Å
290	P	43.1	Very low	35.2	Very low	123 Å²	123	124.6 Å²	124.6	80%	0.799	75%	0.752	S	S	*	*				-108.3	155.9	61.8	-7.9	29.9	0	0	0	114.1
291	A	36.3	Very low	35.3	Very low	73 Å²	73	127.9 Å²	127.9	60%	0.603	76%	0.759	S	S	*	*			cis	77.8	132.2	23.5	0	0	0	0	0	113.9	H289	H289-A291 HydrophobicContact CB-CB 4.37Å
292	L	35.8	Very low	35.3	Very low	139 Å²	139	126.5 Å²	126.5	73%	0.728	76%	0.76	S	S	*	*			cis	-149.4	133.4	41.3	-78.2	163.8	0	0	0	111.8
293	Q	37.5	Very low	36.4	Very low	176 Å²	176	127.6 Å²	127.6	82%	0.822	76%	0.76	S	S	*	*				75.4	142.9	103.9	-75.1	-175.7	-2.7	0	0	117.5
294	A	35.9	Very low	36.2	Very low	95 Å²	95	129.6 Å²	129.6	79%	0.785	76%	0.758	S	S	*	*			cis	-157.8	-158.8	-4	0	0	0	0	0	108.6
295	A	30.8	Very low	36.9	Very low	81 Å²	81	128.8 Å²	128.8	67%	0.669	75%	0.753	S	S	*	*			cis	-161.1	143.4	9.4	0	0	0	0	0	115.7
296	T	32	Very low	35.7	Very low	143 Å²	143	133.4 Å²	133.4	88%	0.877	76%	0.757	S	S	*	*			trans	66.3	147.9	140.3	51.3	0	0	0	0	124.6
297	Q	33.7	Very low	35.6	Very low	171 Å²	171	136.3 Å²	136.3	80%	0.799	76%	0.759	S	S	*	*			trans	-136.9	165.3	-172.1	-93.3	-83.7	-22.6	0	0	107.4
298	P	48.2	Very low	35.6	Very low	110 Å²	110	139.7 Å²	139.7	71%	0.714	76%	0.764	S	S	*	*				-163.2	160.3	85.3	43	-21	0	0	0	121.2
299	Y	30.7	Very low	35.7	Very low	195 Å²	195	140.4 Å²	140.4	77%	0.765	76%	0.763	S	S	*	*			trans	77.6	102.8	136.7	-94.1	-119.4	0	0	0	125.6
300	T	31.3	Very low	36.5	Very low	100 Å²	100	138.4 Å²	138.4	61%	0.613	77%	0.765	S	S	*	*				55.6	147.9	120.5	68.4	0	0	0	0	126.5
301	Q	31	Very low	35.9	Very low	196 Å²	196	136.6 Å²	136.6	92%	0.916	77%	0.768	S	S	*	*			trans	92.9	144.3	139.8	-93.8	-172.7	80.1	0	0	122.1
302	G	30.3	Very low	35.7	Very low	72 Å²	72	136.7 Å²	136.7	74%	0.742	78%	0.776	S	S	*	*			trans	119.8	124.5	156	0	0	0	0	0	117.6
303	P	52.8	Low	36.3	Very low	117 Å²	117	136.3 Å²	136.3	76%	0.76	78%	0.782	S	S	*	*			trans	-125.7	177.8	177.7	43	-31.7	0	0	0	116.2
304	Q	29.8	Very low	36	Very low	169 Å²	169	131.5 Å²	131.5	79%	0.79	78%	0.78	S	S	*	*			trans	79.5	171.1	169	-56.9	-66.4	-15.8	0	0	115.4
305	P	55.4	Low	36.6	Very low	100 Å²	100	133.1 Å²	133.1	65%	0.649	78%	0.782	S	S	*	*				-139.8	-165.2	-95.2	39.7	-17.4	0	0	0	116
306	Y	26.8	Very low	36.6	Very low	206 Å²	206	133.1 Å²	133.1	81%	0.808	79%	0.79	S	S	*	*			trans	100.2	150.9	143.4	-129.9	-106.8	0	0	0	121.9
307	Q	29.8	Very low	37.2	Very low	165 Å²	165	132.6 Å²	132.6	77%	0.771	79%	0.789	S	S	*	*			trans	80	171.5	159.7	-110.3	155.6	0.9	0	0	122.6
308	Q	33.2	Very low	37.1	Very low	171 Å²	171	128.2 Å²	128.2	80%	0.799	79%	0.79	S	S	*	*			trans	-134.8	142.7	-141.6	-59.1	165.9	-34	0	0	114.6
309	Q	32.7	Very low	36.8	Very low	183 Å²	183	129.3 Å²	129.3	86%	0.855	80%	0.797	S	S	*	*			trans	56.8	179.1	148.4	-89.7	-172.9	0.4	0	0	118.9
310	P	48.4	Very low	36.9	Very low	122 Å²	122	124 Å²	124	79%	0.792	80%	0.802	S	S	*	*			cis	-126.4	173.3	-31.3	30.8	-13.3	0	0	0	113.3
311	G	31	Very low	36.9	Very low	85 Å²	85	124.4 Å²	124.4	88%	0.876	82%	0.815	S	S	*	*			trans	154.7	151.1	160.9	0	0	0	0	0	117.9
312	G	32.4	Very low	36.9	Very low	75 Å²	75	118.4 Å²	118.4	77%	0.773	81%	0.806	S	S	*	*			trans	-150.2	-152.3	166.9	0	0	0	0	0	108.8
313	P	48.2	Very low	37.3	Very low	131 Å²	131	121.3 Å²	121.3	85%	0.851	81%	0.812	S	S	*	*			cis	-139.4	147.3	-19.3	38.3	-20.2	0	0	0	116.2
314	G	32.3	Very low	36.6	Very low	75 Å²	75	120.3 Å²	120.3	77%	0.773	81%	0.813	S	S	*	*			trans	72.9	-173.4	160.4	0	0	0	0	0	118.8
315	P	48.1	Very low	37.1	Very low	129 Å²	129	121.6 Å²	121.6	84%	0.838	82%	0.819	S	S	*	*			cis	-144.4	120.7	-29.9	35.3	-14.8	0	0	0	116.9
316	G	31.1	Very low	36.5	Very low	80 Å²	80	124.7 Å²	124.7	83%	0.825	83%	0.829	S	S	*	*			trans	68.4	-175.6	158.4	0	0	0	0	0	119
317	P	43.3	Very low	37.2	Very low	133 Å²	133	118.3 Å²	118.3	86%	0.864	82%	0.815	S	S	*	*			cis	-139.6	134.5	-11.8	37.7	-18.4	0	0	0	117.7
318	G	31.5	Very low	37.8	Very low	79 Å²	79	116.1 Å²	116.1	81%	0.814	82%	0.815	S	S	*	*			trans	67.3	-176.4	157.8	0	0	0	0	0	119.2
319	P	43.1	Very low	38.2	Very low	133 Å²	133	111.8 Å²	111.8	86%	0.864	80%	0.803	S	S	*	*			cis	-136.5	140.6	-24.1	37.9	-21	0	0	0	116
320	G	32	Very low	38.4	Very low	84 Å²	84	109.6 Å²	109.6	87%	0.866	80%	0.795	S	S	*	*			trans	68.7	119.8	143.4	0	0	0	0	0	122.9
321	A	30.9	Very low	37.9	Very low	107 Å²	107	107.2 Å²	107.2	88%	0.884	79%	0.786	S	S	*	*			trans	-158.7	158.7	148.6	0	0	0	0	0	110.7
322	G	32	Very low	38.4	Very low	71 Å²	71	106.9 Å²	106.9	73%	0.732	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-80.5	167.8	-165.9	0	0	0	0	0	117.4
323	P	38	Very low	38.6	Very low	133 Å²	133	110.3 Å²	110.3	86%	0.864	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-79.6	122.7	-178.1	31.8	-33.8	0	0	0	112.5
324	A	38.4	Very low	38.1	Very low	95 Å²	95	109.5 Å²	109.5	79%	0.785	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-78.1	133.3	170.2	0	0	0	0	0	110.9	L326	A324-L326 PolarHBondContact O-N 2.69Å
325	Q	40.5	Very low	38.3	Very low	197 Å²	197	113.3 Å²	113.3	92%	0.921	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-72.4	125.9	175	-68.9	-180	-16.8	0	0	110.6
326	L	41.9	Very low	38	Very low	165 Å²	165	115.5 Å²	115.5	86%	0.864	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-85.1	140.9	166.7	-69.6	174.7	0	0	0	110.2	A324	A324-L326 PolarHBondContact O-N 2.69Å
327	S	41.9	Very low	38.7	Very low	72 Å²	72	116.7 Å²	116.7	50%	0.503	77%	0.766	S	S	.	*	P	Polyproline II helix	trans	-75.2	146.9	-175.6	47.3	0	0	0	0	112.6	S329	S327-S329 PolarHBondContact O-N 2.76Å
328	P	43.4	Very low	39.3	Very low	118 Å²	118	115.8 Å²	115.8	77%	0.766	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-18.9	-176	-25.1	35	0	0	0	115.3	M330 A331	P328-M330 VanDerWaalsContact C-N 3.33Å; P328-M330 PolarHBondContact O-N 2.79Å; P328-A331 PolarHBondContact O-N 3.08Å
329	S	41.3	Very low	41	Very low	80 Å²	80	117 Å²	117	56%	0.559	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-18.5	-172	44.8	0	0	0	0	115.1	S327	S327-S329 PolarHBondContact O-N 2.76Å
330	M	37.2	Very low	42.8	Very low	137 Å²	137	114.2 Å²	114.2	68%	0.675	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-18.8	175.3	-64.8	-138.6	-70.8	0	0	114.1	P328 A332 M333	P328-M330 VanDerWaalsContact C-N 3.33Å; P328-M330 PolarHBondContact O-N 2.79Å; M330-A332 PolarHBondContact O-N 2.85Å; M330-M333 PolarHBondContact O-N 2.71Å
331	A	38.1	Very low	45.3	Very low	73 Å²	73	115.6 Å²	115.6	60%	0.603	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-65.7	-29.1	171.5	0	0	0	0	0	112.1	P328 M333 S334	P328-A331 PolarHBondContact O-N 3.08Å; A331-M333 VanDerWaalsContact C-N 3.29Å; A331-M333 PolarHBondContact O-N 2.77Å; A331-S334 PolarHBondContact O-N 3.31Å
332	A	40	Very low	48	Very low	78 Å²	78	112.1 Å²	112.1	65%	0.645	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-69.3	-17.1	-178.6	0	0	0	0	0	114.9	M330	M330-A332 PolarHBondContact O-N 2.85Å
333	M	37.2	Very low	50.7	Low	147 Å²	147	110 Å²	110	72%	0.724	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-94.8	-9.7	178.7	-92.4	-175.2	-77.1	0	0	114.7	M330 A331	M330-M333 PolarHBondContact O-N 2.71Å; A331-M333 VanDerWaalsContact C-N 3.29Å; A331-M333 PolarHBondContact O-N 2.77Å
334	S	36.9	Very low	53.3	Low	113 Å²	113	108 Å²	108	79%	0.79	64%	0.639	S	S	*	*	S	Bend	trans	-99.1	4.6	175.1	-61.8	0	0	0	0	113.8	A331	A331-S334 PolarHBondContact O-N 3.31Å
335	L	38.1	Very low	55.8	Low	155 Å²	155	106.3 Å²	106.3	81%	0.812	62%	0.619	S	S	*	*			trans	-107.3	25.4	174.2	-135.1	89.7	0	0	0	112.8	S337	L335-S337 PolarHBondContact O-N 2.7Å
336	Q	41.4	Very low	58.3	Low	175 Å²	175	97.3 Å²	97.3	82%	0.818	58%	0.577	S	S	*	*			trans	-67.5	104.3	173.7	-165.4	162.5	22.1	0	0	108.5	S338	Q336-S338 PolarHBondContact O-N 2.84Å
337	S	44.7	Very low	60.7	Low	106 Å²	106	90.6 Å²	90.6	74%	0.741	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-53	120.8	-170.5	45.5	0	0	0	0	111.7	L335 T339	L335-S337 PolarHBondContact O-N 2.7Å; S337-T339 PolarHBondContact O-N 3Å; S337-T339 VanDerWaalsContact O-N 3.12Å
338	S	57.5	Low	63.2	Low	114 Å²	114	87.4 Å²	87.4	80%	0.797	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-59.7	118.1	168.5	40.2	0	0	0	0	108.4	Q336	Q336-S338 PolarHBondContact O-N 2.84Å
339	T	67.1	Low	65.6	Low	103 Å²	103	83.7 Å²	83.7	63%	0.632	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-59.9	130.4	174.1	38.6	0	0	0	0	108.4	S337 E341	S337-T339 PolarHBondContact O-N 3Å; S337-T339 VanDerWaalsContact O-N 3.12Å; T339-E341 PolarHBondContact O-N 3.18Å
340	P	80.2	Confident	68	Low	75 Å²	75	87 Å²	87	49%	0.487	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-54.5	137	178.1	-26.6	34.5	0	0	0	110.2	A342 L343 R344	P340-A342 PolarHBondContact O-N 2.85Å; P340-L343 CarbonylContact O-C 3.6Å; P340-L343 WeakPolarHBondContact O-CA 3.44Å; P340-L343 PolarHBondContact O-N 2.99Å; P340-R344 PolarHBondContact O-N 3.08Å
341	E	84.9	Confident	70.5	Confident	114 Å²	114	84.3 Å²	84.3	53%	0.533	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-54.6	-34.9	-174.6	173.1	55.9	-157.4	0	0	112	T339 L343 R344 A890	T339-E341 PolarHBondContact O-N 3.18Å; E341-L343 PolarHBondContact O-N 3.06Å; E341-R344 VanDerWaalsContact O-CB 3.29Å; E341-R344 WeakPolarHBondContact O-CB 3.49Å; E341-R344 PolarHBondContact O-N 3.03Å; E341-R344 IonicContact OE1-CZ 2.69Å; E341-R344 VanDerWaalsContact OE1-CZ 3.24Å; E341-R344 IonicContact OE1-NE 3Å; E341-R344 PolarHBondContact OE1-NE 2.79Å; E341-R344 IonicContact OE1-NH2 3.36Å; E341-R344 PolarHBondContact OE1-NH2 2.89Å; E341-R344 VanDerWaalsContact OE2-CD 3.25Å; E341-R344 WeakPolarHBondContact OE2-CD 3.04Å; E341-R344 IonicContact OE2-CZ 3.36Å; E341-R344 IonicContact OE2-NE 2.75Å; E341-R344 PolarHBondContact OE2-NE 3.49Å; E341-A890 WeakPolarHBondContact O-CB 3.47Å
342	A	86.3	Confident	72.7	Confident	34 Å²	34	89.6 Å²	89.6	28%	0.281	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32.6	173.2	0	0	0	0	0	114	P340 A890 C891	P340-A342 PolarHBondContact O-N 2.85Å; A342-A890 PolarHBondContact O-N 3.24Å; A342-A890 VanDerWaalsContact O-N 3.09Å; A342-C891 HydrophobicContact CB-CB 4.3Å; A342-C891 PolarHBondContact O-N 2.86Å; A342-C891 PolarHBondContact O-SG 3.2Å; A342-C891 VanDerWaalsContact O-SG 3.33Å
343	L	89.6	Confident	74.8	Confident	25 Å²	25	91.1 Å²	91.1	13%	0.131	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-98	-1.4	178.1	-68.5	-178.4	0	0	0	114.1	P340 E341 V345 S828 F831 A832 Y874 P889	P340-L343 CarbonylContact O-C 3.6Å; P340-L343 WeakPolarHBondContact O-CA 3.44Å; P340-L343 PolarHBondContact O-N 2.99Å; E341-L343 PolarHBondContact O-N 3.06Å; L343-V345 PolarHBondContact O-N 3Å; L343-S828 WeakPolarHBondContact CD2-O 3.48Å; L343-F831 HydrophobicContact CD2-CB 3.82Å; L343-A832 HydrophobicContact CD1-CB 4.05Å; L343-A832 HydrophobicContact CD2-CB 4.16Å; L343-A832 HydrophobicContact CG-CB 3.87Å; L343-Y874 PolarHBondContact O-OH 3.44Å; L343-P889 HydrophobicContact CD2-CB 4.17Å
344	R	91.7	Very high	77.1	Confident	91 Å²	91	84.3 Å²	84.3	34%	0.343	45%	0.453	S	S	.	.			trans	-56.2	129	175	-176.9	-177.2	55.1	73.5	4.2	109.2	P340 E341 A890	P340-R344 PolarHBondContact O-N 3.08Å; E341-R344 VanDerWaalsContact O-CB 3.29Å; E341-R344 WeakPolarHBondContact O-CB 3.49Å; E341-R344 PolarHBondContact O-N 3.03Å; E341-R344 IonicContact OE1-CZ 2.69Å; E341-R344 VanDerWaalsContact OE1-CZ 3.24Å; E341-R344 IonicContact OE1-NE 3Å; E341-R344 PolarHBondContact OE1-NE 2.79Å; E341-R344 IonicContact OE1-NH2 3.36Å; E341-R344 PolarHBondContact OE1-NH2 2.89Å; E341-R344 VanDerWaalsContact OE2-CD 3.25Å; E341-R344 WeakPolarHBondContact OE2-CD 3.04Å; E341-R344 IonicContact OE2-CZ 3.36Å; E341-R344 IonicContact OE2-NE 2.75Å; E341-R344 PolarHBondContact OE2-NE 3.49Å; R344-A890 HydrophobicContact CB-CB 4.45Å; R344-A890 PolarHBondContact O-N 3.21Å
345	V	91.4	Very high	79.4	Confident	61 Å²	61	80.3 Å²	80.3	37%	0.37	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	132.6	-176.2	-166.8	0	0	0	0	110	L343 L879 L887	L343-V345 PolarHBondContact O-N 3Å; V345-L879 HydrophobicContact CG1-CD2 4.26Å; V345-L879 HydrophobicContact CG2-CD2 3.65Å; V345-L887 HydrophobicContact CG1-CB 4.08Å; V345-L887 HydrophobicContact CG1-CD2 4.11Å; V345-L887 HydrophobicContact CG1-CG 4.46Å
346	V	92.8	Very high	81.7	Confident	7 Å²	7	74.3 Å²	74.3	4%	0.042	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125	173.5	-169.8	0	0	0	0	108.5	L348 E351 L354 L887 A888 A890 R893	V346-L348 HydrophobicContact CB-CD2 4.33Å; V346-L348 HydrophobicContact CG1-CD2 3.9Å; V346-L348 PolarHBondContact O-N 2.79Å; V346-E351 HydrophobicContact CG1-CB 4Å; V346-E351 HydrophobicContact CG1-CG 4.25Å; V346-L354 HydrophobicContact CG1-CD2 4.03Å; V346-L887 WeakPolarHBondContact O-CA 3.3Å; V346-A888 PolarHBondContact N-O 3.36Å; V346-A888 PolarHBondContact O-N 3.33Å; V346-A890 HydrophobicContact CG2-CB 4.08Å; V346-R893 HydrophobicContact CB-CB 4.49Å; V346-R893 HydrophobicContact CG2-CB 4.21Å
347	N	93.3	Very high	83.2	Confident	25 Å²	25	69.8 Å²	69.8	13%	0.134	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	101.8	170	-171.5	-1.2	0	0	0	109.2	L349 Q350 E351 L886 L887	N347-L349 PolarHBondContact O-N 2.64Å; N347-L349 VanDerWaalsContact O-N 3.16Å; N347-Q350 HydrophobicContact CB-CB 4.36Å; N347-Q350 PolarHBondContact ND2-OE1 3.21Å; N347-Q350 PolarHBondContact O-N 3.03Å; N347-E351 PolarHBondContact O-N 3.3Å; N347-L886 WeakPolarHBondContact CA-O 3.49Å; N347-L886 PolarHBondContact OD1-N 3.11Å; N347-L886 PolarHBondContact OD1-O 2.77Å; N347-L887 HydrophobicContact CB-CD2 3.99Å
348	L	94.6	Very high	84.8	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.021	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.7	-171.1	-58.2	-179.1	0	0	0	113.3	V346 Q350 L354 L886 A888 R893 P896 L1080	V346-L348 HydrophobicContact CB-CD2 4.33Å; V346-L348 HydrophobicContact CG1-CD2 3.9Å; V346-L348 PolarHBondContact O-N 2.79Å; L348-Q350 VanDerWaalsContact C-N 3.32Å; L348-L354 HydrophobicContact CD2-CD1 4.29Å; L348-L354 HydrophobicContact CD2-CD2 3.86Å; L348-L886 HydrophobicContact CD1-CD2 4.49Å; L348-L886 HydrophobicContact CD1-CG 4.47Å; L348-L886 PolarHBondContact N-O 3.45Å; L348-A888 HydrophobicContact CD1-CB 3.91Å; L348-A888 HydrophobicContact CD2-CB 4.29Å; L348-A888 HydrophobicContact CG-CB 4.11Å; L348-R893 HydrophobicContact CD2-CB 4.25Å; L348-P896 HydrophobicContact CD1-CG 3.78Å; L348-L1080 HydrophobicContact CB-CD1 3.84Å; L348-L1080 HydrophobicContact CB-CD2 4.05Å; L348-L1080 HydrophobicContact CD1-CD2 4.06Å; L348-L1080 WeakPolarHBondContact O-CD1 3.46Å
349	L	93.4	Very high	85.9	Confident	40 Å²	40	67.2 Å²	67.2	21%	0.209	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.9	175.9	-67.8	167	0	0	0	113.5	N347 L886 Y1077 L1080 L1081 Q1084	N347-L349 PolarHBondContact O-N 2.64Å; N347-L349 VanDerWaalsContact O-N 3.16Å; L349-L886 HydrophobicContact CD1-CB 3.83Å; L349-L886 HydrophobicContact CG-CB 4.02Å; L349-Y1077 HydrophobicContact CD2-CD2 4.38Å; L349-Y1077 HydrophobicContact CD2-CE2 4.12Å; L349-L1080 HydrophobicContact CD2-CB 3.7Å; L349-L1080 HydrophobicContact CD2-CD1 4.4Å; L349-L1081 HydrophobicContact CD2-CD2 3.93Å; L349-L1081 HydrophobicContact CD2-CG 4.28Å; L349-Q1084 HydrophobicContact CD1-CG 4.44Å; L349-Q1084 VanDerWaalsContact CD1-OE1 3.23Å
350	Q	91.6	Very high	86.9	Confident	151 Å²	151	63.9 Å²	63.9	71%	0.706	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-39.4	179.6	-69.8	177.6	-29.6	0	0	112	N347 L348 R352	N347-Q350 HydrophobicContact CB-CB 4.36Å; N347-Q350 PolarHBondContact ND2-OE1 3.21Å; N347-Q350 PolarHBondContact O-N 3.03Å; L348-Q350 VanDerWaalsContact C-N 3.32Å; Q350-R352 PolarHBondContact O-N 3.21Å
351	E	89.9	Confident	87.4	Confident	80 Å²	80	65.3 Å²	65.3	37%	0.374	35%	0.35	S	S	.	.			trans	-74.5	120	177.6	-177.9	54.8	-92	0	0	111.2	V346 N347 N353 L354	V346-E351 HydrophobicContact CG1-CB 4Å; V346-E351 HydrophobicContact CG1-CG 4.25Å; N347-E351 PolarHBondContact O-N 3.3Å; E351-N353 PolarHBondContact OE1-N 3.43Å; E351-L354 HydrophobicContact CB-CD2 4.03Å; E351-L354 HydrophobicContact CG-CD2 3.54Å; E351-L354 HydrophobicContact CG-CG 4.09Å
352	R	84.4	Confident	87.8	Confident	184 Å²	184	61.1 Å²	61.1	69%	0.694	34%	0.336	S	S	*	.			trans	-98.7	-21.1	178.6	-67.8	-168.5	179.4	-152	1.6	113.6	Q350 Q968	Q350-R352 PolarHBondContact O-N 3.21Å; R352-Q968 PolarHBondContact O-NE2 2.69Å; R352-Q968 PolarHBondContact O-OE1 3Å
353	N	83.8	Confident	88.1	Confident	109 Å²	109	61.5 Å²	61.5	58%	0.583	34%	0.335	S	S	*	.			trans	-109.5	64.9	-173.5	-61.1	-67.3	0	0	0	110.9	E351	E351-N353 PolarHBondContact OE1-N 3.43Å
354	L	85.4	Confident	88.2	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.021	36%	0.356	C	S	.	.			trans	-76.4	-29.1	-174.6	-66.8	168.6	0	0	0	113.9	V346 L348 E351 R893 L894 Y1076	V346-L354 HydrophobicContact CG1-CD2 4.03Å; L348-L354 HydrophobicContact CD2-CD1 4.29Å; L348-L354 HydrophobicContact CD2-CD2 3.86Å; E351-L354 HydrophobicContact CB-CD2 4.03Å; E351-L354 HydrophobicContact CG-CD2 3.54Å; E351-L354 HydrophobicContact CG-CG 4.09Å; L354-R893 HydrophobicContact CD2-CB 4.19Å; L354-R893 HydrophobicContact CD2-CG 4.41Å; L354-R893 PolarHBondContact O-NH1 2.65Å; L354-R893 PolarHBondContact O-NH2 2.91Å; L354-L894 HydrophobicContact CB-CD2 3.93Å; L354-Y1076 HydrophobicContact CD1-CE1 3.63Å; L354-Y1076 WeakPolarHBondContact CD1-OH 3.25Å
355	L	86.2	Confident	88.2	Confident	30 Å²	30	61.4 Å²	61.4	16%	0.157	35%	0.346	C	S	.	.	S	Bend	trans	-72.4	132.7	-180	-68.4	176.2	0	0	0	111.3	L894 L897 Q968	L355-L894 HydrophobicContact CD2-CD2 3.94Å; L355-L897 HydrophobicContact CD2-CD2 4.2Å; L355-Q968 HydrophobicContact CD1-CB 4.41Å; L355-Q968 HydrophobicContact CD1-CG 3.89Å; L355-Q968 HydrophobicContact CG-CG 4.44Å
356	P	84.8	Confident	88.2	Confident	28 Å²	28	63.4 Å²	63.4	18%	0.182	36%	0.362	C	S	.	.			trans	-68.6	154.6	167.1	28.2	-30.8	0	0	0	111.3	A358 V360	P356-A358 WeakPolarHBondContact CG-O 3.47Å; P356-A358 PolarHBondContact O-N 2.83Å; P356-V360 HydrophobicContact CG-CG2 3.72Å
357	P	73.8	Confident	88.2	Confident	80 Å²	80	64.4 Å²	64.4	52%	0.519	37%	0.367	S	S	.	.	S	Bend	trans	-70.3	-16.7	-178.7	29.3	-36.3	0	0	0	113.9	R965	P357-R965 HydrophobicContact CB-CG 4.07Å
358	A	78.3	Confident	88.1	Confident	57 Å²	57	67.5 Å²	67.5	47%	0.471	39%	0.387	S	S	.	.	S	Bend	trans	-124.4	163.2	177.8	0	0	0	0	0	109.7	P356	P356-A358 WeakPolarHBondContact CG-O 3.47Å; P356-A358 PolarHBondContact O-N 2.83Å
359	P	81.6	Confident	87.9	Confident	109 Å²	109	73.4 Å²	73.4	71%	0.708	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-51.8	140	-179.4	-28.2	36.1	0	0	0	113.5	P361	P359-P361 WeakPolarHBondContact O-CD 3.41Å
360	V	87.5	Confident	87.7	Confident	34 Å²	34	76.2 Å²	76.2	21%	0.206	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-63	118.5	-179.5	-179.2	0	0	0	0	109.7	P356 L894	P356-V360 HydrophobicContact CG-CG2 3.72Å; V360-L894 HydrophobicContact CG2-CD1 3.62Å
361	P	89.9	Confident	87.7	Confident	104 Å²	104	71.6 Å²	71.6	68%	0.675	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-73	154.9	177.8	31	-35.1	0	0	0	111.3	P359	P359-P361 WeakPolarHBondContact O-CD 3.41Å
362	A	93.1	Very high	87.8	Confident	27 Å²	27	71.9 Å²	71.9	22%	0.223	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-67	141.3	168.3	0	0	0	0	0	110.2	T364 P378	A362-T364 PolarHBondContact O-N 2.87Å; A362-P378 HydrophobicContact CB-CB 3.63Å; A362-P378 HydrophobicContact CB-CG 4.09Å
363	P	93.4	Very high	88.2	Confident	41 Å²	41	69.3 Å²	69.3	27%	0.266	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-62.8	132.7	174.6	-20.9	32.8	0	0	0	111.7	P365 T386 D835	P363-P365 WeakPolarHBondContact O-CD 3.41Å; P363-T386 HydrophobicContact CB-CG2 4.23Å; P363-D835 WeakPolarHBondContact CD-OD2 3.22Å; P363-D835 HydrophobicContact CG-CB 3.83Å
364	T	91.5	Very high	88.7	Confident	92 Å²	92	66 Å²	66	56%	0.564	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-70.4	124.9	171.3	-60.6	0	0	0	0	109.9	A362 Q372	A362-T364 PolarHBondContact O-N 2.87Å; T364-Q372 HydrophobicContact CG2-CG 4.08Å; T364-Q372 VanDerWaalsContact CG2-NE2 3.28Å
365	P	92.4	Very high	89.2	Confident	23 Å²	23	67.2 Å²	67.2	15%	0.149	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-61.7	138.5	172.3	-23.3	34.8	0	0	0	112	P363 L367 T386 L821	P363-P365 WeakPolarHBondContact O-CD 3.41Å; P365-L367 VanDerWaalsContact C-N 3.27Å; P365-L367 HydrophobicContact CB-CD1 4.26Å; P365-L367 HydrophobicContact CB-CG 4.2Å; P365-L367 PolarHBondContact O-N 3.01Å; P365-T386 HydrophobicContact CG-CG2 4.22Å; P365-L821 HydrophobicContact CB-CD2 3.59Å; P365-L821 HydrophobicContact CG-CD2 3.45Å; P365-L821 VanDerWaalsContact CG-CD2 3.45Å
366	C	91.2	Very high	89.7	Confident	103 Å²	103	66.4 Å²	66.4	70%	0.696	39%	0.39	S	S	*	.	S	Bend	trans	-74.8	77.8	179.6	-162.9	0	0	0	0	111.2	P822	C366-P822 HydrophobicContact CB-CG 4.2Å; C366-P822 WeakPolarHBondContact O-CB 3.28Å; C366-P822 WeakPolarHBondContact O-CG 3.41Å
367	L	92.2	Very high	90.2	Very high	27 Å²	27	67.4 Å²	67.4	14%	0.141	40%	0.397	C	S	.	.			trans	-115.3	165.7	178.8	-67.1	175.3	0	0	0	110.7	P365 L371 Q372 N375 V796 C820	P365-L367 VanDerWaalsContact C-N 3.27Å; P365-L367 HydrophobicContact CB-CD1 4.26Å; P365-L367 HydrophobicContact CB-CG 4.2Å; P365-L367 PolarHBondContact O-N 3.01Å; L367-L371 HydrophobicContact CB-CB 4.23Å; L367-L371 HydrophobicContact CD1-CB 4.29Å; L367-Q372 HydrophobicContact CB-CB 4.47Å; L367-N375 WeakPolarHBondContact CD1-ND2 3.42Å; L367-V796 HydrophobicContact CD2-CG1 3.92Å; L367-C820 HydrophobicContact CD1-CB 4.47Å
368	T	91.9	Very high	91.2	Very high	90 Å²	90	66.7 Å²	66.7	55%	0.552	39%	0.393	S	S	*	.			trans	-62.6	149	165.3	57.6	0	0	0	0	110.4	D370 L371 Q372	T368-D370 PolarHBondContact O-N 3.13Å; T368-L371 PolarHBondContact O-N 2.82Å; T368-L371 VanDerWaalsContact O-N 3.08Å; T368-L371 WeakPolarHBondContact OG1-CG 3.47Å; T368-Q372 PolarHBondContact O-N 2.92Å
369	Q	89.9	Confident	91.9	Very high	129 Å²	129	69.4 Å²	69.4	60%	0.603	40%	0.396	S	S	*	.	H	α-helix	trans	-56.8	-30.7	-169.7	-153.3	-160.9	51.2	0	0	113.4	K373	Q369-K373 WeakPolarHBondContact O-CD 3.23Å; Q369-K373 WeakPolarHBondContact O-CE 3.37Å; Q369-K373 VanDerWaalsContact O-CG 3.23Å; Q369-K373 WeakPolarHBondContact O-CG 3.29Å; Q369-K373 PolarHBondContact O-N 3.13Å; Q369-K373 VanDerWaalsContact O-N 3.12Å; Q369-K373 VanDerWaalsContact OE1-CE 3.24Å
370	D	89.8	Confident	92.6	Very high	98 Å²	98	64.5 Å²	64.5	52%	0.524	36%	0.364	S	S	.	.	H	α-helix	trans	-78	-40.1	-179.9	-55.5	-44.9	0	0	0	112.5	T368 Q372 K373 L374	T368-D370 PolarHBondContact O-N 3.13Å; D370-Q372 VanDerWaalsContact C-N 3.28Å; D370-Q372 PolarHBondContact O-N 3.03Å; D370-K373 PolarHBondContact O-N 3.45Å; D370-K373 IonicContact OD1-NZ 2.75Å; D370-K373 PolarHBondContact OD1-NZ 3.11Å; D370-L374 WeakPolarHBondContact O-CD1 3.37Å; D370-L374 WeakPolarHBondContact O-CG 3.24Å; D370-L374 PolarHBondContact O-N 2.85Å
371	L	91.3	Very high	93	Very high	54 Å²	54	63 Å²	63	28%	0.283	36%	0.355	S	S	.	.	H	α-helix	trans	-67.3	-31.8	172	-61.1	-176.1	0	0	0	111.7	L367 T368 L374 N375 F436	L367-L371 HydrophobicContact CB-CB 4.23Å; L367-L371 HydrophobicContact CD1-CB 4.29Å; T368-L371 PolarHBondContact O-N 2.82Å; T368-L371 VanDerWaalsContact O-N 3.08Å; T368-L371 WeakPolarHBondContact OG1-CG 3.47Å; L371-L374 PolarHBondContact O-N 3.03Å; L371-N375 PolarHBondContact O-N 3.38Å; L371-F436 HydrophobicContact CD2-CD1 4.18Å
372	Q	91.8	Very high	93.3	Very high	86 Å²	86	59.5 Å²	59.5	40%	0.402	33%	0.328	S	S	.	.	H	α-helix	trans	-64.8	-46.5	174.1	-171.1	-164	-18.6	0	0	111.8	T364 L367 T368 D370 L374 N375	T364-Q372 HydrophobicContact CG2-CG 4.08Å; T364-Q372 VanDerWaalsContact CG2-NE2 3.28Å; L367-Q372 HydrophobicContact CB-CB 4.47Å; T368-Q372 PolarHBondContact O-N 2.92Å; D370-Q372 VanDerWaalsContact C-N 3.28Å; D370-Q372 PolarHBondContact O-N 3.03Å; Q372-L374 PolarHBondContact O-N 2.82Å; Q372-N375 WeakPolarHBondContact O-CB 3.39Å; Q372-N375 PolarHBondContact O-N 2.65Å
373	K	92.6	Very high	93.6	Very high	131 Å²	131	58.2 Å²	58.2	57%	0.57	32%	0.317	S	S	*	.	H	α-helix	trans	-59.6	-34.6	175.7	-69.3	160.1	-157.3	159.3	0	112.4	Q369 D370 N375	Q369-K373 WeakPolarHBondContact O-CD 3.23Å; Q369-K373 WeakPolarHBondContact O-CE 3.37Å; Q369-K373 VanDerWaalsContact O-CG 3.23Å; Q369-K373 WeakPolarHBondContact O-CG 3.29Å; Q369-K373 PolarHBondContact O-N 3.13Å; Q369-K373 VanDerWaalsContact O-N 3.12Å; Q369-K373 VanDerWaalsContact OE1-CE 3.24Å; D370-K373 PolarHBondContact O-N 3.45Å; D370-K373 IonicContact OD1-NZ 2.75Å; D370-K373 PolarHBondContact OD1-NZ 3.11Å; K373-N375 VanDerWaalsContact C-N 3.35Å
374	L	94.6	Very high	93.8	Very high	40 Å²	40	56.3 Å²	56.3	21%	0.209	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.9	-178.9	-68.8	167.8	0	0	0	113.9	D370 L371 Q372 P435 F436 Q479 A481	D370-L374 WeakPolarHBondContact O-CD1 3.37Å; D370-L374 WeakPolarHBondContact O-CG 3.24Å; D370-L374 PolarHBondContact O-N 2.85Å; L371-L374 PolarHBondContact O-N 3.03Å; Q372-L374 PolarHBondContact O-N 2.82Å; L374-P435 HydrophobicContact CB-CB 4.09Å; L374-P435 HydrophobicContact CD1-CB 4.27Å; L374-P435 HydrophobicContact CD2-CB 4.41Å; L374-F436 HydrophobicContact CB-CE1 4.42Å; L374-Q479 VanDerWaalsContact CD2-O 3.28Å; L374-Q479 WeakPolarHBondContact CD2-O 3.4Å; L374-A481 WeakPolarHBondContact O-CB 3.47Å
375	N	95.8	Very high	94.2	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.15	28%	0.278	C	S	.	.	S	Bend	trans	-77.5	161.6	-170.3	-146.3	-6.7	0	0	0	113.7	L367 L371 Q372 K373 M819 C820	L367-N375 WeakPolarHBondContact CD1-ND2 3.42Å; L371-N375 PolarHBondContact O-N 3.38Å; Q372-N375 WeakPolarHBondContact O-CB 3.39Å; Q372-N375 PolarHBondContact O-N 2.65Å; K373-N375 VanDerWaalsContact C-N 3.35Å; N375-M819 WeakPolarHBondContact OD1-CA 3.49Å; N375-C820 PolarHBondContact ND2-O 2.75Å; N375-C820 PolarHBondContact OD1-N 2.63Å
376	C	95.9	Very high	94.4	Very high	13 Å²	13	51.2 Å²	51.2	9%	0.088	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-66	142.8	179	-167.9	0	0	0	0	111.3	F381 A481 M819	C376-F381 HydrophobicContact CB-CB 4.22Å; C376-F381 VanDerWaalsContact SG-CB 3.55Å; C376-A481 HydrophobicContact CB-CB 4.13Å; C376-M819 HydrophobicContact CB-CB 4.19Å
377	S	95.4	Very high	94.7	Very high	49 Å²	49	46.7 Å²	46.7	34%	0.343	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-60.1	132.5	173.2	174.4	0	0	0	0	110.7	E379 V380 F381	S377-E379 PolarHBondContact O-N 2.81Å; S377-E379 VanDerWaalsContact O-N 3.16Å; S377-E379 PolarHBondContact OG-N 2.93Å; S377-V380 PolarHBondContact O-N 2.69Å; S377-F381 PolarHBondContact O-N 3.39Å
378	P	95	Very high	95	Very high	65 Å²	65	45.4 Å²	45.4	42%	0.422	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.6	176	28.9	-35.5	0	0	0	112.8	A362 V380 R382	A362-P378 HydrophobicContact CB-CB 3.63Å; A362-P378 HydrophobicContact CB-CG 4.09Å; P378-V380 PolarHBondContact O-N 3.25Å; P378-R382 HydrophobicContact CB-CG 3.7Å; P378-R382 WeakPolarHBondContact O-CD 3.43Å; P378-R382 VanDerWaalsContact O-CG 3.27Å; P378-R382 WeakPolarHBondContact O-CG 3.17Å
379	E	92.8	Very high	95.3	Very high	115 Å²	115	41.1 Å²	41.1	54%	0.537	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.8	169.9	-56.7	-164.1	113	0	0	113.4	S377 K410	S377-E379 PolarHBondContact O-N 2.81Å; S377-E379 VanDerWaalsContact O-N 3.16Å; S377-E379 PolarHBondContact OG-N 2.93Å; E379-K410 HydrophobicContact CB-CD 4.38Å; E379-K410 IonicContact OE1-NZ 3.02Å; E379-K410 PolarHBondContact OE1-NZ 2.67Å; E379-K410 IonicContact OE2-NZ 2.69Å; E379-K410 PolarHBondContact OE2-NZ 2.83Å
380	V	95.6	Very high	95.7	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.036	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-34.7	-172.4	-178.9	0	0	0	0	111.8	S377 P378 L406 H407 K410 L412 H817	S377-V380 PolarHBondContact O-N 2.69Å; P378-V380 PolarHBondContact O-N 3.25Å; V380-L406 CarbonylContact O-C 3.56Å; V380-L406 WeakPolarHBondContact O-CA 3.45Å; V380-H407 PolarHBondContact O-N 2.79Å; V380-K410 HydrophobicContact CG2-CD 4.47Å; V380-L412 HydrophobicContact CG2-CD2 4Å; V380-H817 VanDerWaalsContact CG1-CE1 3.49Å; V380-H817 WeakPolarHBondContact CG1-CE1 3.28Å; V380-H817 WeakPolarHBondContact CG1-ND1 3.39Å
381	F	97.4	Very high	96.1	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.013	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	119.5	-178.4	-154.8	-179.5	0	0	0	110.3	C376 S377 L404 L405 L406 F799 A801 H817 M819	C376-F381 HydrophobicContact CB-CB 4.22Å; C376-F381 VanDerWaalsContact SG-CB 3.55Å; S377-F381 PolarHBondContact O-N 3.39Å; F381-L404 HydrophobicContact CE2-CB 4.06Å; F381-L404 HydrophobicContact CE2-CD1 4.05Å; F381-L404 HydrophobicContact CE2-CD2 4.19Å; F381-L404 HydrophobicContact CE2-CG 4.33Å; F381-L404 HydrophobicContact CZ-CD1 4.29Å; F381-L405 WeakPolarHBondContact CA-O 3.12Å; F381-L406 HydrophobicContact CD2-CD2 3.89Å; F381-L406 HydrophobicContact CD2-CG 3.74Å; F381-L406 HydrophobicContact CE2-CD1 4.33Å; F381-L406 HydrophobicContact CE2-CD2 3.54Å; F381-L406 HydrophobicContact CE2-CG 3.69Å; F381-L406 HydrophobicContact CZ-CD2 4.04Å; F381-F799 HydrophobicContact CE1-CB 4.06Å; F381-F799 HydrophobicContact CZ-CB 3.73Å; F381-A801 HydrophobicContact CE1-CB 4.25Å; F381-A801 HydrophobicContact CZ-CB 4.27Å; F381-H817 HydrophobicContact CD1-CB 4.06Å; F381-M819 HydrophobicContact CD1-CB 3.72Å; F381-M819 HydrophobicContact CD1-CE 4.49Å; F381-M819 HydrophobicContact CD2-CE 4.03Å; F381-M819 HydrophobicContact CE1-CB 4.02Å; F381-M819 HydrophobicContact CE2-CE 4.12Å; F381-M819 HydrophobicContact CG-CB 4.29Å; F381-M819 HydrophobicContact CG-CE 4.24Å; F381-M819 HydrophobicContact CZ-CE 4.4Å
382	R	96.4	Very high	96.3	Very high	29 Å²	29	33.5 Å²	33.5	11%	0.109	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.6	173.8	-80.3	164.9	80.9	163.6	1.6	110.8	P378 L404 L405 D835	P378-R382 HydrophobicContact CB-CG 3.7Å; P378-R382 WeakPolarHBondContact O-CD 3.43Å; P378-R382 VanDerWaalsContact O-CG 3.27Å; P378-R382 WeakPolarHBondContact O-CG 3.17Å; R382-L404 CarbonylContact O-C 3.54Å; R382-L404 WeakPolarHBondContact O-CA 3.09Å; R382-L405 PolarHBondContact N-O 3.1Å; R382-L405 PolarHBondContact O-N 3.3Å; R382-D835 IonicContact CZ-OD1 2.61Å; R382-D835 IonicContact CZ-OD2 2.83Å; R382-D835 IonicContact NE-OD2 2.81Å; R382-D835 PolarHBondContact NE-OD2 3.01Å; R382-D835 IonicContact NH2-OD1 3.24Å; R382-D835 PolarHBondContact NH2-OD1 3.44Å; R382-D835 IonicContact NH2-OD2 3.98Å; R382-D835 PolarHBondContact NH2-OD2 3.32Å
383	C	98.5	Very high	96.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.5	165.9	-170.1	0	0	0	0	109	L385 G403 L404 M819 L821	C383-L385 PolarHBondContact O-N 3.12Å; C383-L385 PolarHBondContact SG-O 2.85Å; C383-G403 CarbonylContact C-O 3.53Å; C383-G403 WeakPolarHBondContact CA-O 3.13Å; C383-G403 PolarHBondContact SG-O 3.23Å; C383-L404 HydrophobicContact CB-CD2 4.12Å; C383-M819 HydrophobicContact CB-CE 3.9Å; C383-M819 HydrophobicContact CB-SD 4.47Å; C383-L821 HydrophobicContact CB-CD1 3.51Å
384	T	98.7	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-66.9	-27.2	171.5	55.8	0	0	0	0	113.3	P401 L402 G403 L405 D835 A838 I839 L842	T384-P401 VanDerWaalsContact CB-O 3.25Å; T384-P401 WeakPolarHBondContact CB-O 3.25Å; T384-P401 PolarHBondContact OG1-O 3.13Å; T384-L402 WeakPolarHBondContact OG1-CA 3.4Å; T384-G403 PolarHBondContact N-O 2.74Å; T384-G403 PolarHBondContact OG1-N 3.36Å; T384-G403 PolarHBondContact OG1-O 2.88Å; T384-L405 HydrophobicContact CG2-CD1 4.22Å; T384-D835 PolarHBondContact O-N 3.3Å; T384-A838 HydrophobicContact CG2-CB 4.14Å; T384-I839 HydrophobicContact CG2-CG1 4.21Å; T384-L842 HydrophobicContact CG2-CB 4.1Å; T384-L842 HydrophobicContact CG2-CD2 3.68Å
385	L	98.4	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-128.8	108.7	178.3	-59.8	175.7	0	0	0	108.1	C383 S387 I388 P389 L395 L400 L402 V830 A834	C383-L385 PolarHBondContact O-N 3.12Å; C383-L385 PolarHBondContact SG-O 2.85Å; L385-S387 VanDerWaalsContact C-N 3.27Å; L385-I388 WeakPolarHBondContact O-CD1 3.4Å; L385-P389 HydrophobicContact CD1-CG 4.05Å; L385-L395 HydrophobicContact CD1-CD1 3.91Å; L385-L400 HydrophobicContact CD2-CB 4.02Å; L385-L400 HydrophobicContact CD2-CD1 3.72Å; L385-L402 HydrophobicContact CB-CD1 4.08Å; L385-L402 HydrophobicContact CD1-CB 4.45Å; L385-L402 HydrophobicContact CD1-CD1 4.01Å; L385-L402 HydrophobicContact CG-CD1 4.34Å; L385-V830 HydrophobicContact CD1-CG1 4.06Å; L385-V830 HydrophobicContact CD2-CG1 4.06Å; L385-A834 HydrophobicContact CD2-CB 4.33Å
386	T	97.8	Very high	97	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.055	16%	0.164	C	C	.	.	S	Bend	trans	-77.2	-18.1	175.4	65.7	0	0	0	0	112.4	P363 P365 P822 G833	P363-T386 HydrophobicContact CB-CG2 4.23Å; P365-T386 HydrophobicContact CG-CG2 4.22Å; T386-P822 VanDerWaalsContact O-CD 3.26Å; T386-P822 WeakPolarHBondContact O-CD 3.36Å; T386-P822 WeakPolarHBondContact O-CG 3.4Å; T386-G833 PolarHBondContact N-O 3.42Å; T386-G833 VanDerWaalsContact OG1-CA 3.26Å; T386-G833 WeakPolarHBondContact OG1-CA 3.46Å; T386-G833 PolarHBondContact OG1-O 3.5Å; T386-G833 VanDerWaalsContact OG1-O 3.09Å
387	S	97.4	Very high	97	Very high	7 Å²	7	34.9 Å²	34.9	5%	0.049	19%	0.186	C	C	.	.	S	Bend	trans	-102.5	107.7	164.6	-56.2	0	0	0	0	108.9	L385 D829	L385-S387 VanDerWaalsContact C-N 3.27Å; S387-D829 WeakPolarHBondContact CB-O 3.37Å; S387-D829 PolarHBondContact OG-O 3.17Å
388	I	98.4	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.7	-172.7	-62.5	-70	0	0	0	110.2	L385 Q390 L402 L791 V797 F799 L821 P822 V823 V824	L385-I388 WeakPolarHBondContact O-CD1 3.4Å; I388-Q390 PolarHBondContact O-N 2.85Å; I388-L402 HydrophobicContact CD1-CD1 3.68Å; I388-L791 HydrophobicContact CG2-CD1 3.85Å; I388-V797 HydrophobicContact CB-CG2 4.08Å; I388-V797 HydrophobicContact CG1-CG2 3.7Å; I388-V797 HydrophobicContact CG2-CG2 4.12Å; I388-F799 HydrophobicContact CD1-CE2 4.16Å; I388-F799 HydrophobicContact CD1-CZ 4.17Å; I388-L821 HydrophobicContact CD1-CD1 3.91Å; I388-L821 HydrophobicContact CG1-CB 3.88Å; I388-L821 HydrophobicContact CG1-CD1 4.06Å; I388-P822 WeakPolarHBondContact CB-O 3.29Å; I388-P822 PolarHBondContact N-O 2.94Å; I388-V823 CarbonylContact O-C 3.5Å; I388-V823 WeakPolarHBondContact O-CA 3.43Å; I388-V824 PolarHBondContact O-N 3.38Å
389	P	98	Very high	97.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	132.9	175.8	-23.5	33.7	0	0	0	112.1	L385 T391 V394 L395 I787 V830	L385-P389 HydrophobicContact CD1-CG 4.05Å; P389-T391 PolarHBondContact O-N 3Å; P389-V394 HydrophobicContact CB-CB 4.09Å; P389-V394 HydrophobicContact CB-CG1 4.01Å; P389-L395 HydrophobicContact CB-CB 4.05Å; P389-L395 HydrophobicContact CG-CB 4.02Å; P389-L395 HydrophobicContact CG-CD1 4.19Å; P389-I787 HydrophobicContact CB-CD1 4.1Å; P389-I787 VanDerWaalsContact O-CD1 3.27Å; P389-I787 WeakPolarHBondContact O-CD1 3.38Å; P389-V830 HydrophobicContact CB-CG2 4.24Å; P389-V830 HydrophobicContact CG-CG1 4.02Å; P389-V830 HydrophobicContact CG-CG2 3.86Å
390	Q	97.8	Very high	97.4	Very high	47 Å²	47	29 Å²	29	22%	0.22	15%	0.147	C	C	.	.	S	Bend	trans	-62.3	-28.1	179.9	-170.9	178.2	43.5	0	0	113.3	I388 L791 D792 V823 V824	I388-Q390 PolarHBondContact O-N 2.85Å; Q390-L791 HydrophobicContact CG-CB 4.46Å; Q390-L791 PolarHBondContact O-N 3.07Å; Q390-D792 WeakPolarHBondContact CG-OD1 3.22Å; Q390-D792 PolarHBondContact NE2-O 3.28Å; Q390-V823 HydrophobicContact CB-CG1 3.88Å; Q390-V823 HydrophobicContact CG-CG1 4.12Å; Q390-V824 WeakPolarHBondContact CB-O 3.48Å; Q390-V824 PolarHBondContact N-O 2.97Å
391	T	97.9	Very high	97.5	Very high	19 Å²	19	29.8 Å²	29.8	12%	0.117	15%	0.151	C	C	.	.	S	Bend	trans	-141.1	155.1	-178.5	73.7	0	0	0	0	111.7	P389 S393 V394 L395 N790	P389-T391 PolarHBondContact O-N 3Å; T391-S393 PolarHBondContact O-N 3.46Å; T391-S393 VanDerWaalsContact O-N 3.17Å; T391-S393 PolarHBondContact OG1-N 3.31Å; T391-V394 PolarHBondContact O-N 2.75Å; T391-V394 VanDerWaalsContact O-N 3.08Å; T391-V394 PolarHBondContact OG1-N 2.9Å; T391-L395 PolarHBondContact O-N 3.07Å; T391-L395 VanDerWaalsContact O-N 3.14Å; T391-N790 HydrophobicContact CG2-CB 4.08Å; T391-N790 VanDerWaalsContact CG2-CG 3.47Å; T391-N790 WeakPolarHBondContact CG2-OD1 3.41Å
392	Q	97.1	Very high	97.5	Very high	56 Å²	56	29.9 Å²	29.9	26%	0.262	15%	0.152	S	C	.	.	H	α-helix	trans	-59.1	-25.7	172.4	-168.9	59.6	50.6	0	0	112.3	L395 N396 I787	Q392-L395 PolarHBondContact O-N 2.71Å; Q392-N396 PolarHBondContact NE2-OD1 2.97Å; Q392-N396 VanDerWaalsContact O-CB 3.26Å; Q392-N396 WeakPolarHBondContact O-CB 3.36Å; Q392-N396 PolarHBondContact O-N 2.99Å; Q392-N396 PolarHBondContact O-ND2 3.02Å; Q392-N396 PolarHBondContact O-OD1 2.79Å; Q392-I787 HydrophobicContact CB-CB 4.09Å; Q392-I787 WeakPolarHBondContact CB-O 3.45Å; Q392-I787 PolarHBondContact OE1-O 3.4Å
393	S	96.8	Very high	97.6	Very high	66 Å²	66	28.5 Å²	28.5	46%	0.462	15%	0.147	S	C	.	.	H	α-helix	trans	-66.7	-41.8	174.8	-172.7	0	0	0	0	112.1	T391 K397	T391-S393 PolarHBondContact O-N 3.46Å; T391-S393 VanDerWaalsContact O-N 3.17Å; T391-S393 PolarHBondContact OG1-N 3.31Å; S393-K397 WeakPolarHBondContact O-CB 3.33Å; S393-K397 VanDerWaalsContact O-CG 3.29Å; S393-K397 WeakPolarHBondContact O-CG 3.44Å; S393-K397 PolarHBondContact O-N 2.94Å
394	V	96.8	Very high	97.6	Very high	22 Å²	22	28.4 Å²	28.4	13%	0.133	15%	0.146	C	C	.	.	H	α-helix	trans	-68.1	-41.1	175	178.3	0	0	0	0	110.7	P389 T391 K397 A398 L827 V830	P389-V394 HydrophobicContact CB-CB 4.09Å; P389-V394 HydrophobicContact CB-CG1 4.01Å; T391-V394 PolarHBondContact O-N 2.75Å; T391-V394 VanDerWaalsContact O-N 3.08Å; T391-V394 PolarHBondContact OG1-N 2.9Å; V394-K397 PolarHBondContact O-N 3.26Å; V394-A398 WeakPolarHBondContact O-CB 3.5Å; V394-A398 PolarHBondContact O-N 3.3Å; V394-L827 HydrophobicContact CG1-CD1 4.11Å; V394-V830 HydrophobicContact CG1-CG2 4.05Å
395	L	97.5	Very high	97.6	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.052	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-47.3	174.4	178.5	55	0	0	0	112.2	L385 P389 T391 Q392 K397 A398 K399 L400 L402 I787	L385-L395 HydrophobicContact CD1-CD1 3.91Å; P389-L395 HydrophobicContact CB-CB 4.05Å; P389-L395 HydrophobicContact CG-CB 4.02Å; P389-L395 HydrophobicContact CG-CD1 4.19Å; T391-L395 PolarHBondContact O-N 3.07Å; T391-L395 VanDerWaalsContact O-N 3.14Å; Q392-L395 PolarHBondContact O-N 2.71Å; L395-K397 VanDerWaalsContact C-N 3.27Å; L395-K397 PolarHBondContact O-N 2.83Å; L395-A398 PolarHBondContact O-N 2.64Å; L395-A398 VanDerWaalsContact O-N 3.12Å; L395-K399 PolarHBondContact O-N 3.12Å; L395-L400 VanDerWaalsContact CD1-O 3.25Å; L395-L400 WeakPolarHBondContact CD1-O 3.43Å; L395-L402 HydrophobicContact CD1-CB 3.9Å; L395-L402 HydrophobicContact CD2-CB 3.66Å; L395-L402 HydrophobicContact CD2-CD2 4.05Å; L395-L402 HydrophobicContact CD2-CG 4.49Å; L395-L402 HydrophobicContact CG-CB 4.47Å; L395-I787 HydrophobicContact CB-CD1 4.12Å; L395-I787 HydrophobicContact CD2-CD1 3.93Å; L395-I787 HydrophobicContact CD2-CG1 4.42Å
396	N	97.1	Very high	97.6	Very high	100 Å²	100	29.6 Å²	29.6	54%	0.535	15%	0.153	S	C	.	.	H	α-helix	trans	-62.5	-32.7	176.9	-72.6	-6.6	0	0	0	112.6	Q392 K399	Q392-N396 PolarHBondContact NE2-OD1 2.97Å; Q392-N396 VanDerWaalsContact O-CB 3.26Å; Q392-N396 WeakPolarHBondContact O-CB 3.36Å; Q392-N396 PolarHBondContact O-N 2.99Å; Q392-N396 PolarHBondContact O-ND2 3.02Å; Q392-N396 PolarHBondContact O-OD1 2.79Å; N396-K399 WeakPolarHBondContact O-CD 3.36Å
397	K	96.8	Very high	97.6	Very high	128 Å²	128	30 Å²	30	56%	0.557	15%	0.153	S	C	*	.	H	α-helix	trans	-71.9	-38.8	172.2	-74.9	173.7	-178.5	-176.1	0	112.3	S393 V394 L395 K399 L827 S873	S393-K397 WeakPolarHBondContact O-CB 3.33Å; S393-K397 VanDerWaalsContact O-CG 3.29Å; S393-K397 WeakPolarHBondContact O-CG 3.44Å; S393-K397 PolarHBondContact O-N 2.94Å; V394-K397 PolarHBondContact O-N 3.26Å; L395-K397 VanDerWaalsContact C-N 3.27Å; L395-K397 PolarHBondContact O-N 2.83Å; K397-K399 VanDerWaalsContact C-N 3.26Å; K397-K399 PolarHBondContact O-N 2.93Å; K397-L827 HydrophobicContact CB-CD1 4.06Å; K397-S873 WeakPolarHBondContact O-CB 3.26Å; K397-S873 PolarHBondContact O-OG 2.86Å
398	A	96.3	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67	-26.9	-179.1	0	0	0	0	0	113	V394 L395 L400 L827 V830	V394-A398 WeakPolarHBondContact O-CB 3.5Å; V394-A398 PolarHBondContact O-N 3.3Å; L395-A398 PolarHBondContact O-N 2.64Å; L395-A398 VanDerWaalsContact O-N 3.12Å; A398-L400 PolarHBondContact O-N 3.28Å; A398-L827 HydrophobicContact CB-CD1 3.8Å; A398-V830 HydrophobicContact CB-CG1 3.88Å
399	K	97.1	Very high	97.5	Very high	101 Å²	101	30 Å²	30	44%	0.439	15%	0.153	S	C	.	.			trans	60.7	9.1	179.6	-61.3	-75.1	-164.8	145	0	114.8	L395 N396 K397 D869	L395-K399 PolarHBondContact O-N 3.12Å; N396-K399 WeakPolarHBondContact O-CD 3.36Å; K397-K399 VanDerWaalsContact C-N 3.26Å; K397-K399 PolarHBondContact O-N 2.93Å; K399-D869 HydrophobicContact CB-CB 3.79Å; K399-D869 HydrophobicContact CD-CB 3.91Å; K399-D869 WeakPolarHBondContact CD-OD2 3.39Å; K399-D869 WeakPolarHBondContact CE-OD2 3.37Å; K399-D869 HydrophobicContact CG-CB 3.82Å; K399-D869 IonicContact NZ-OD2 3.24Å; K399-D869 PolarHBondContact NZ-OD2 2.9Å
400	L	97.4	Very high	97.4	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.031	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-89.6	138.9	170.2	-59.8	179.9	0	0	0	109.5	L385 L395 A398 F831 A834 I839 L892	L385-L400 HydrophobicContact CD2-CB 4.02Å; L385-L400 HydrophobicContact CD2-CD1 3.72Å; L395-L400 VanDerWaalsContact CD1-O 3.25Å; L395-L400 WeakPolarHBondContact CD1-O 3.43Å; A398-L400 PolarHBondContact O-N 3.28Å; L400-F831 HydrophobicContact CD1-CD1 3.91Å; L400-F831 HydrophobicContact CD1-CE1 3.94Å; L400-F831 HydrophobicContact CG-CE1 4.24Å; L400-A834 HydrophobicContact CD1-CB 3.8Å; L400-I839 HydrophobicContact CD1-CD1 4.22Å; L400-I839 HydrophobicContact CD2-CD1 4.26Å; L400-L892 HydrophobicContact CD1-CD1 4.39Å; L400-L892 HydrophobicContact CD2-CD1 4.16Å
401	P	97.6	Very high	97.2	Very high	21 Å²	21	32.3 Å²	32.3	14%	0.136	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-75	129.7	178.9	31.3	-34.5	0	0	0	110.5	T384 I839 L842 L843 M846	T384-P401 VanDerWaalsContact CB-O 3.25Å; T384-P401 WeakPolarHBondContact CB-O 3.25Å; T384-P401 PolarHBondContact OG1-O 3.13Å; P401-I839 HydrophobicContact CG-CG2 4.16Å; P401-L842 HydrophobicContact CB-CD2 3.99Å; P401-L842 HydrophobicContact CG-CD2 4.29Å; P401-L843 HydrophobicContact CG-CD2 4.1Å; P401-L843 HydrophobicContact CG-CG 4.09Å; P401-M846 HydrophobicContact CB-SD 4.48Å
402	L	98.6	Very high	96.9	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.026	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-82.3	128.5	170.1	-176	68.3	0	0	0	110.1	T384 L385 I388 L395 L753 M785 I787	T384-L402 WeakPolarHBondContact OG1-CA 3.4Å; L385-L402 HydrophobicContact CB-CD1 4.08Å; L385-L402 HydrophobicContact CD1-CB 4.45Å; L385-L402 HydrophobicContact CD1-CD1 4.01Å; L385-L402 HydrophobicContact CG-CD1 4.34Å; I388-L402 HydrophobicContact CD1-CD1 3.68Å; L395-L402 HydrophobicContact CD1-CB 3.9Å; L395-L402 HydrophobicContact CD2-CB 3.66Å; L395-L402 HydrophobicContact CD2-CD2 4.05Å; L395-L402 HydrophobicContact CD2-CG 4.49Å; L395-L402 HydrophobicContact CG-CB 4.47Å; L402-L753 HydrophobicContact CD2-CD2 4.1Å; L402-M785 HydrophobicContact CD2-CB 4.07Å; L402-M785 HydrophobicContact CG-CB 4.05Å; L402-M785 PolarHBondContact O-N 2.6Å; L402-I787 HydrophobicContact CD2-CD1 4.48Å; L402-I787 HydrophobicContact CD2-CG1 4.24Å
403	G	98.4	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	175.1	176	0	0	0	0	0	114.4	C383 T384 V783	C383-G403 CarbonylContact C-O 3.53Å; C383-G403 WeakPolarHBondContact CA-O 3.13Å; C383-G403 PolarHBondContact SG-O 3.23Å; T384-G403 PolarHBondContact N-O 2.74Å; T384-G403 PolarHBondContact OG1-N 3.36Å; T384-G403 PolarHBondContact OG1-O 2.88Å; G403-V783 CarbonylContact C-O 3.17Å; G403-V783 WeakPolarHBondContact CA-O 3.24Å
404	L	98.6	Very high	95.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.3	-173.2	-54.9	170.5	0	0	0	110.3	F381 R382 C383 L406 I747 A782 V783 M785 F799 M819	F381-L404 HydrophobicContact CE2-CB 4.06Å; F381-L404 HydrophobicContact CE2-CD1 4.05Å; F381-L404 HydrophobicContact CE2-CD2 4.19Å; F381-L404 HydrophobicContact CE2-CG 4.33Å; F381-L404 HydrophobicContact CZ-CD1 4.29Å; R382-L404 CarbonylContact O-C 3.54Å; R382-L404 WeakPolarHBondContact O-CA 3.09Å; C383-L404 HydrophobicContact CB-CD2 4.12Å; L404-L406 HydrophobicContact CB-CD1 4.2Å; L404-I747 HydrophobicContact CD1-CG2 4.19Å; L404-A782 CarbonylContact O-C 3.56Å; L404-A782 VanDerWaalsContact O-CA 3.3Å; L404-A782 WeakPolarHBondContact O-CA 3.25Å; L404-V783 HydrophobicContact CB-CB 4.33Å; L404-V783 PolarHBondContact N-O 3.21Å; L404-V783 PolarHBondContact O-N 2.99Å; L404-M785 HydrophobicContact CD1-CE 4.35Å; L404-M785 HydrophobicContact CD1-CG 4.11Å; L404-M785 HydrophobicContact CD1-SD 3.9Å; L404-M785 HydrophobicContact CG-CG 3.96Å; L404-M785 HydrophobicContact CG-SD 4.38Å; L404-F799 HydrophobicContact CD1-CB 4.39Å; L404-F799 HydrophobicContact CD1-CD1 3.66Å; L404-F799 HydrophobicContact CD1-CE1 4.23Å; L404-F799 HydrophobicContact CD1-CG 4.19Å; L404-F799 HydrophobicContact CD2-CD1 3.93Å; L404-F799 HydrophobicContact CD2-CD2 4.22Å; L404-F799 HydrophobicContact CD2-CE1 4.15Å; L404-F799 HydrophobicContact CD2-CE2 4.45Å; L404-F799 HydrophobicContact CD2-CG 3.96Å; L404-F799 HydrophobicContact CD2-CZ 4.4Å; L404-F799 HydrophobicContact CG-CD1 4.34Å; L404-M819 HydrophobicContact CD2-CE 3.66Å
405	L	98.6	Very high	95.5	Very high	18 Å²	18	43 Å²	43	9%	0.094	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.6	170.5	-67.1	88.4	0	0	0	109.3	F381 R382 T384 F781 A782 A838 L842 L931	F381-L405 WeakPolarHBondContact CA-O 3.12Å; R382-L405 PolarHBondContact N-O 3.1Å; R382-L405 PolarHBondContact O-N 3.3Å; T384-L405 HydrophobicContact CG2-CD1 4.22Å; L405-F781 WeakPolarHBondContact CA-O 3.42Å; L405-A782 HydrophobicContact CD2-CB 4.43Å; L405-A782 HydrophobicContact CG-CB 4.03Å; L405-A838 HydrophobicContact CD1-CB 3.8Å; L405-L842 HydrophobicContact CD1-CB 4.49Å; L405-L931 HydrophobicContact CD2-CB 4.1Å; L405-L931 HydrophobicContact CD2-CD1 3.94Å; L405-L931 HydrophobicContact CD2-CD2 4.27Å; L405-L931 HydrophobicContact CD2-CG 4.31Å
406	L	97.6	Very high	95.3	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.3	-168.5	-53.1	94.7	0	0	0	111.5	V380 F381 L404 I747 G780 F781 V783 A801	V380-L406 CarbonylContact O-C 3.56Å; V380-L406 WeakPolarHBondContact O-CA 3.45Å; F381-L406 HydrophobicContact CD2-CD2 3.89Å; F381-L406 HydrophobicContact CD2-CG 3.74Å; F381-L406 HydrophobicContact CE2-CD1 4.33Å; F381-L406 HydrophobicContact CE2-CD2 3.54Å; F381-L406 HydrophobicContact CE2-CG 3.69Å; F381-L406 HydrophobicContact CZ-CD2 4.04Å; L404-L406 HydrophobicContact CB-CD1 4.2Å; L406-I747 HydrophobicContact CD1-CD1 3.92Å; L406-I747 HydrophobicContact CD2-CD1 3.73Å; L406-I747 HydrophobicContact CD2-CG1 4.33Å; L406-G780 CarbonylContact O-C 3.6Å; L406-G780 WeakPolarHBondContact O-CA 3.31Å; L406-F781 PolarHBondContact N-O 3.31Å; L406-F781 PolarHBondContact O-N 2.9Å; L406-V783 HydrophobicContact CD1-CG2 3.79Å; L406-A801 HydrophobicContact CD2-CB 3.62Å
407	H	97.8	Very high	95.1	Very high	16 Å²	16	43 Å²	43	7%	0.074	23%	0.226	C	C	.	.			trans	-126.7	62.5	168.4	-171	-173.3	0	0	0	109	V380 F409 K410 P777 A779 P930	V380-H407 PolarHBondContact O-N 2.79Å; H407-F409 VanDerWaalsContact C-N 3.32Å; H407-F409 PolarHBondContact O-N 3.49Å; H407-K410 WeakPolarHBondContact O-CB 3.38Å; H407-K410 PolarHBondContact O-N 3.27Å; H407-P777 PolarHBondContact NE2-O 2.71Å; H407-A779 PolarHBondContact CD2-O 3.11Å; H407-P930 HydrophobicContact CB-CB 4.27Å; H407-P930 HydrophobicContact CB-CG 4.47Å
408	P	96.9	Very high	94.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.2	-156.5	28.5	-37.1	0	0	0	113.8	M745 F781 L803 R815 H817	P408-M745 HydrophobicContact CB-SD 3.91Å; P408-M745 HydrophobicContact CG-CE 4.33Å; P408-M745 HydrophobicContact CG-SD 3.77Å; P408-F781 HydrophobicContact CG-CD2 3.81Å; P408-F781 HydrophobicContact CG-CE2 3.75Å; P408-L803 HydrophobicContact CB-CD2 4.46Å; P408-R815 VanDerWaalsContact O-CD 3.23Å; P408-R815 WeakPolarHBondContact O-CD 3.36Å; P408-R815 PolarHBondContact O-NH1 2.86Å; P408-H817 PolarHBondContact O-NE2 2.99Å
409	F	97.8	Very high	94.5	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.035	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	15.3	-178.9	-154.6	-122.3	0	0	0	114	H407 K738 V775 P777 L803 Y805	H407-F409 VanDerWaalsContact C-N 3.32Å; H407-F409 PolarHBondContact O-N 3.49Å; F409-K738 HydrophobicContact CE1-CB 4.14Å; F409-V775 HydrophobicContact CB-CG2 3.8Å; F409-V775 HydrophobicContact CD1-CG1 4.35Å; F409-V775 HydrophobicContact CD1-CG2 4.5Å; F409-V775 HydrophobicContact CG-CG1 4.31Å; F409-V775 HydrophobicContact CG-CG2 4.17Å; F409-P777 HydrophobicContact CD1-CB 4.39Å; F409-P777 VanDerWaalsContact O-CA 3.27Å; F409-P777 WeakPolarHBondContact O-CA 3.29Å; F409-P777 VanDerWaalsContact O-CB 3.26Å; F409-P777 WeakPolarHBondContact O-CB 3.31Å; F409-L803 HydrophobicContact CB-CD2 4.1Å; F409-L803 HydrophobicContact CD2-CD2 3.76Å; F409-L803 HydrophobicContact CG-CD2 4.25Å; F409-Y805 HydrophobicContact CE2-CD1 4.44Å; F409-Y805 HydrophobicContact CE2-CD2 4.35Å; F409-Y805 AromaticContact CE2-CE1 3.9Å; F409-Y805 HydrophobicContact CE2-CE1 3.9Å; F409-Y805 AromaticContact CE2-CE2 3.81Å; F409-Y805 HydrophobicContact CE2-CE2 3.81Å; F409-Y805 AromaticContact CE2-CZ 3.55Å; F409-Y805 HydrophobicContact CZ-CD2 4.44Å; F409-Y805 AromaticContact CZ-CE2 3.91Å; F409-Y805 HydrophobicContact CZ-CE2 3.91Å
410	K	95.9	Very high	93.8	Very high	44 Å²	44	37.6 Å²	37.6	19%	0.191	21%	0.213	C	C	.	.			trans	-44.4	142.7	179.1	-173.2	175.7	179.8	-177.5	0	112	E379 V380 H407 L412 R815	E379-K410 HydrophobicContact CB-CD 4.38Å; E379-K410 IonicContact OE1-NZ 3.02Å; E379-K410 PolarHBondContact OE1-NZ 2.67Å; E379-K410 IonicContact OE2-NZ 2.69Å; E379-K410 PolarHBondContact OE2-NZ 2.83Å; V380-K410 HydrophobicContact CG2-CD 4.47Å; H407-K410 WeakPolarHBondContact O-CB 3.38Å; H407-K410 PolarHBondContact O-N 3.27Å; K410-L412 HydrophobicContact CB-CD2 4.4Å; K410-L412 HydrophobicContact CD-CD2 4.28Å; K410-L412 HydrophobicContact CG-CD2 4.3Å; K410-L412 PolarHBondContact O-N 3.07Å; K410-L412 VanDerWaalsContact O-N 3.14Å; K410-R815 PolarHBondContact O-NH1 3.02Å; K410-R815 VanDerWaalsContact O-NH1 3.11Å
411	D	92.8	Very high	93	Very high	51 Å²	51	41.5 Å²	41.5	27%	0.273	24%	0.241	S	C	.	.			trans	-65.9	105.5	166.2	-82.7	-49.7	0	0	0	109.7	R733 K738	D411-R733 IonicContact OD2-CZ 2.73Å; D411-R733 IonicContact OD2-NH1 2.77Å; D411-R733 PolarHBondContact OD2-NH1 3.21Å; D411-R733 IonicContact OD2-NH2 3.22Å; D411-R733 PolarHBondContact OD2-NH2 3.21Å; D411-K738 VanDerWaalsContact OD1-CD 3.28Å; D411-K738 WeakPolarHBondContact OD1-CD 3.49Å; D411-K738 VanDerWaalsContact OD1-CE 3.32Å; D411-K738 WeakPolarHBondContact OD1-CE 3.38Å; D411-K738 IonicContact OD1-NZ 2.67Å; D411-K738 PolarHBondContact OD1-NZ 2.8Å
412	L	90.6	Very high	92.6	Very high	45 Å²	45	43.5 Å²	43.5	24%	0.236	25%	0.252	C	S	.	.			trans	-100.6	141.4	175.1	-58.7	177.8	0	0	0	110.3	V380 K410 L415 T482	V380-L412 HydrophobicContact CG2-CD2 4Å; K410-L412 HydrophobicContact CB-CD2 4.4Å; K410-L412 HydrophobicContact CD-CD2 4.28Å; K410-L412 HydrophobicContact CG-CD2 4.3Å; K410-L412 PolarHBondContact O-N 3.07Å; K410-L412 VanDerWaalsContact O-N 3.14Å; L412-L415 HydrophobicContact CD1-CD1 4.31Å; L412-T482 HydrophobicContact CD1-CG2 3.85Å
413	S	84.4	Confident	92.4	Very high	129 Å²	129	43.9 Å²	43.9	90%	0.902	25%	0.254	S	S	*	.	S	Bend	trans	-74.2	-31.6	175.4	52.8	0	0	0	0	112.8
414	Q	86.2	Confident	92.3	Very high	172 Å²	172	44.3 Å²	44.3	80%	0.804	26%	0.257	S	S	*	.			trans	-132.2	132.4	174.4	-63.7	-176.7	-1.6	0	0	109.3
415	L	92.2	Very high	92.3	Very high	40 Å²	40	47.4 Å²	47.4	21%	0.209	27%	0.269	C	S	.	.			trans	-151.1	113.4	178.4	176.6	57.1	0	0	0	108.4	L412 V417 T482 E484	L412-L415 HydrophobicContact CD1-CD1 4.31Å; L415-V417 PolarHBondContact O-N 3.09Å; L415-V417 VanDerWaalsContact O-N 3.1Å; L415-T482 HydrophobicContact CD1-CG2 3.67Å; L415-E484 HydrophobicContact CD1-CB 4.28Å; L415-E484 HydrophobicContact CD2-CB 3.95Å; L415-E484 WeakPolarHBondContact CD2-OE2 3.41Å; L415-E484 HydrophobicContact CG-CB 4.04Å
416	P	92.4	Very high	92.3	Very high	40 Å²	40	46.6 Å²	46.6	26%	0.26	26%	0.264	S	S	.	.			trans	-63.9	112	177.7	-21.9	32.9	0	0	0	111	N480 I483 E484	P416-N480 HydrophobicContact CG-CB 4.22Å; P416-I483 HydrophobicContact CB-CG2 4.32Å; P416-E484 PolarHBondContact O-N 2.98Å
417	V	93.9	Very high	92.3	Very high	72 Å²	72	53.8 Å²	53.8	44%	0.436	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.3	172.6	-177.5	0	0	0	0	109.2	L415 E484 I486	L415-V417 PolarHBondContact O-N 3.09Å; L415-V417 VanDerWaalsContact O-N 3.1Å; V417-E484 CarbonylContact C-O 3.37Å; V417-E484 VanDerWaalsContact CA-O 3.23Å; V417-E484 WeakPolarHBondContact CA-O 3.45Å; V417-I486 HydrophobicContact CG1-CD1 4.39Å; V417-I486 HydrophobicContact CG1-CG1 4.04Å
418	V	91.3	Very high	92.3	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.03	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.2	-176.8	-179.7	0	0	0	0	110	P476 E477 E484 F485 I486	V418-P476 HydrophobicContact CG2-CB 3.97Å; V418-E477 HydrophobicContact CG1-CG 4.35Å; V418-E477 HydrophobicContact CG2-CG 4.34Å; V418-E484 PolarHBondContact N-O 3.07Å; V418-F485 HydrophobicContact CB-CD1 3.89Å; V418-F485 HydrophobicContact CB-CE1 4.19Å; V418-F485 HydrophobicContact CG1-CD1 3.94Å; V418-F485 HydrophobicContact CG1-CE1 4.02Å; V418-F485 WeakPolarHBondContact O-CA 3.16Å; V418-I486 PolarHBondContact O-N 3.35Å
419	T	88.1	Confident	92.3	Very high	90 Å²	90	57.5 Å²	57.5	55%	0.552	32%	0.319	S	S	*	.			trans	-114.8	123.8	170.2	-51.3	0	0	0	0	108.5
420	S	82.3	Confident	92.3	Very high	19 Å²	19	63.8 Å²	63.8	13%	0.133	34%	0.342	C	S	.	.			trans	-157.2	148.1	175	-66.7	0	0	0	0	108	R475	S420-R475 PolarHBondContact OG-NH2 3.06Å
421	S	81.7	Confident	92.4	Very high	88 Å²	88	61.7 Å²	61.7	62%	0.615	33%	0.333	S	S	*	.	S	Bend	trans	-72	-37.5	179.4	67.1	0	0	0	0	111.4	E459	S421-E459 WeakPolarHBondContact CB-OE1 3.42Å; S421-E459 PolarHBondContact N-OE1 3.34Å; S421-E459 PolarHBondContact OG-OE1 3.41Å; S421-E459 PolarHBondContact OG-OE2 2.81Å
422	T	88.1	Confident	92.6	Very high	63 Å²	63	59.9 Å²	59.9	39%	0.387	32%	0.323	S	S	.	.	S	Bend	trans	-99.6	113.8	172.8	-44.4	0	0	0	0	111.6	V424 P457 E459	T422-V424 PolarHBondContact O-N 3.36Å; T422-P457 HydrophobicContact CG2-CG 4.32Å; T422-E459 WeakPolarHBondContact CA-OE2 3.37Å; T422-E459 WeakPolarHBondContact CB-OE2 3.48Å; T422-E459 PolarHBondContact N-OE2 3.3Å; T422-E459 PolarHBondContact OG1-OE2 2.86Å
423	I	95	Very high	93	Very high	13 Å²	13	57.8 Å²	57.8	7%	0.067	31%	0.312	C	S	.	.			trans	-86.3	106	167.7	-60	-177	0	0	0	109.5	R425 Y432 F485 P488 Y491 I814	I423-R425 PolarHBondContact O-N 3.02Å; I423-Y432 HydrophobicContact CG2-CD1 3.64Å; I423-Y432 HydrophobicContact CG2-CE1 3.75Å; I423-F485 HydrophobicContact CD1-CB 3.7Å; I423-F485 HydrophobicContact CD1-CD1 4.13Å; I423-F485 HydrophobicContact CD1-CG 3.97Å; I423-F485 HydrophobicContact CG1-CD1 4.13Å; I423-F485 HydrophobicContact CG1-CG 4.46Å; I423-F485 HydrophobicContact CG2-CD1 4.17Å; I423-F485 HydrophobicContact CG2-CD2 4.46Å; I423-F485 HydrophobicContact CG2-CE1 4.1Å; I423-F485 HydrophobicContact CG2-CE2 4.39Å; I423-F485 HydrophobicContact CG2-CG 4.35Å; I423-F485 HydrophobicContact CG2-CZ 4.21Å; I423-P488 HydrophobicContact CD1-CG 4.49Å; I423-Y491 HydrophobicContact CD1-CE2 3.95Å; I423-I814 HydrophobicContact CD1-CD1 3.8Å
424	V	96.4	Very high	93.6	Very high	10 Å²	10	51.7 Å²	51.7	6%	0.061	27%	0.269	C	S	.	.			trans	-67.9	119.5	-174	-175.3	0	0	0	0	111.5	T422 I433 W445 P457 F460	T422-V424 PolarHBondContact O-N 3.36Å; V424-I433 HydrophobicContact CB-CB 4.27Å; V424-I433 HydrophobicContact CB-CG2 3.92Å; V424-I433 HydrophobicContact CG1-CB 4.13Å; V424-I433 HydrophobicContact CG1-CD1 4Å; V424-I433 HydrophobicContact CG1-CG2 4.3Å; V424-I433 PolarHBondContact O-N 3.09Å; V424-W445 HydrophobicContact CG1-CZ2 3.79Å; V424-P457 HydrophobicContact CG2-CG 4Å; V424-F460 HydrophobicContact CB-CD2 4.23Å; V424-F460 HydrophobicContact CB-CE2 4.36Å; V424-F460 HydrophobicContact CG2-CB 4.09Å; V424-F460 HydrophobicContact CG2-CD2 3.39Å; V424-F460 HydrophobicContact CG2-CE2 3.98Å; V424-F460 HydrophobicContact CG2-CG 3.86Å
425	R	97.5	Very high	94.2	Very high	65 Å²	65	44.1 Å²	44.1	25%	0.245	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-133.5	151.5	178.9	-68.2	174.7	-66.2	-175.5	-1.9	110.4	I423 R427 T431 Y432 E490 Y491	I423-R425 PolarHBondContact O-N 3.02Å; R425-R427 PolarHBondContact O-N 2.64Å; R425-T431 CarbonylContact C-O 3.41Å; R425-T431 VanDerWaalsContact CA-O 3.23Å; R425-T431 WeakPolarHBondContact CA-O 3.35Å; R425-Y432 HydrophobicContact CG-CD1 3.62Å; R425-Y432 HydrophobicContact CG-CE1 3.86Å; R425-Y432 HydrophobicContact CG-CG 4.14Å; R425-E490 IonicContact CZ-OE1 3.5Å; R425-E490 IonicContact NH1-OE1 3.72Å; R425-E490 IonicContact NH2-OE1 2.86Å; R425-E490 PolarHBondContact NH2-OE1 2.95Å; R425-E490 IonicContact NH2-OE2 2.72Å; R425-Y491 PolarHBondContact NE-OH 3.05Å; R425-Y491 PolarHBondContact NH1-OH 2.93Å
426	C	98.4	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.			trans	-64.4	131.5	173.8	175.3	0	0	0	0	110.6	S428 R430 T431 W445 C447 C450 N454	C426-S428 PolarHBondContact O-N 3.04Å; C426-S428 VanDerWaalsContact O-N 3.13Å; C426-R430 VanDerWaalsContact O-CA 3.24Å; C426-R430 WeakPolarHBondContact O-CA 3.38Å; C426-R430 PolarHBondContact O-N 2.87Å; C426-T431 PolarHBondContact N-O 3.08Å; C426-W445 HydrophobicContact CB-CH2 3.82Å; C426-W445 HydrophobicContact CB-CZ3 4.43Å; C426-C447 HydrophobicContact CB-CB 3.94Å; C426-C450 PolarHBondContact SG-SG 2.9Å; C426-N454 WeakPolarHBondContact CA-OD1 3.21Å; C426-N454 PolarHBondContact SG-OD1 3.35Å
427	R	97.7	Very high	94.7	Very high	158 Å²	158	41.8 Å²	41.8	60%	0.596	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.2	-177.9	65.2	-169.8	164.8	163.2	-6.1	114.4	R425 V453 N454	R425-R427 PolarHBondContact O-N 2.64Å; R427-V453 PolarHBondContact NE-O 2.98Å; R427-V453 VanDerWaalsContact NE-O 3.08Å; R427-V453 PolarHBondContact NH2-O 3.37Å; R427-N454 WeakPolarHBondContact CG-OD1 3.15Å; R427-N454 PolarHBondContact N-OD1 2.9Å
428	S	97.9	Very high	94.7	Very high	56 Å²	56	41.5 Å²	41.5	39%	0.392	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-70.5	-179.8	-154.8	0	0	0	0	112.3	C426 R452	C426-S428 PolarHBondContact O-N 3.04Å; C426-S428 VanDerWaalsContact O-N 3.13Å; S428-R452 PolarHBondContact OG-NE 2.74Å
429	C	97.3	Very high	94.9	Very high	40 Å²	40	43.8 Å²	43.8	27%	0.27	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-4.2	-173.4	59.3	0	0	0	0	114.9	T431 C450 R748	C429-T431 PolarHBondContact O-N 3.44Å; C429-T431 VanDerWaalsContact O-N 3.11Å; C429-T431 VanDerWaalsContact SG-CB 3.55Å; C429-T431 PolarHBondContact SG-OG1 2.75Å; C429-C450 HydrophobicContact CB-CB 4.1Å; C429-C450 PolarHBondContact SG-SG 3.22Å; C429-R748 PolarHBondContact O-NE 3.11Å
430	R	97.4	Very high	95.2	Very high	140 Å²	140	44 Å²	44	53%	0.528	23%	0.228	S	C	.	.			trans	58.5	17.9	-176.1	-50.5	-61.9	-175.6	138.3	2.8	115	C426 R748	C426-R430 VanDerWaalsContact O-CA 3.24Å; C426-R430 WeakPolarHBondContact O-CA 3.38Å; C426-R430 PolarHBondContact O-N 2.87Å; R430-R748 PolarHBondContact O-NH2 3.44Å
431	T	98.4	Very high	95.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-56.6	133.7	165.8	-64.3	0	0	0	0	110.1	R425 C426 C429 L449 R748	R425-T431 CarbonylContact C-O 3.41Å; R425-T431 VanDerWaalsContact CA-O 3.23Å; R425-T431 WeakPolarHBondContact CA-O 3.35Å; C426-T431 PolarHBondContact N-O 3.08Å; C429-T431 PolarHBondContact O-N 3.44Å; C429-T431 VanDerWaalsContact O-N 3.11Å; C429-T431 VanDerWaalsContact SG-CB 3.55Å; C429-T431 PolarHBondContact SG-OG1 2.75Å; T431-L449 HydrophobicContact CG2-CB 4.45Å; T431-L449 HydrophobicContact CG2-CD1 4.07Å; T431-L449 HydrophobicContact CG2-CD2 3.98Å; T431-L449 HydrophobicContact CG2-CG 4.39Å; T431-L449 WeakPolarHBondContact OG1-CD2 3.5Å; T431-R748 VanDerWaalsContact OG1-CD 3.31Å; T431-R748 WeakPolarHBondContact OG1-CD 3.4Å
432	Y	98.3	Very high	95.7	Very high	13 Å²	13	47.6 Å²	47.6	5%	0.051	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-71.4	144.5	174.5	-61.5	-90.4	0	0	0	110.4	I423 R425 N434 F485 Q800 A802 I814 V816	I423-Y432 HydrophobicContact CG2-CD1 3.64Å; I423-Y432 HydrophobicContact CG2-CE1 3.75Å; R425-Y432 HydrophobicContact CG-CD1 3.62Å; R425-Y432 HydrophobicContact CG-CE1 3.86Å; R425-Y432 HydrophobicContact CG-CG 4.14Å; Y432-N434 PolarHBondContact O-ND2 3.28Å; Y432-F485 HydrophobicContact CD1-CE2 4.23Å; Y432-Q800 PolarHBondContact O-NE2 3Å; Y432-A802 HydrophobicContact CD2-CB 3.95Å; Y432-A802 HydrophobicContact CE2-CB 3.46Å; Y432-A802 VanDerWaalsContact CE2-CB 3.46Å; Y432-I814 HydrophobicContact CE1-CD1 4.26Å; Y432-I814 HydrophobicContact CE1-CG2 4.24Å; Y432-I814 HydrophobicContact CE2-CG2 4.37Å; Y432-V816 HydrophobicContact CD1-CG2 4.45Å; Y432-V816 HydrophobicContact CD2-CG1 4.48Å; Y432-V816 HydrophobicContact CD2-CG2 3.96Å; Y432-V816 HydrophobicContact CE2-CG2 4.35Å; Y432-V816 HydrophobicContact CG-CG2 4.03Å
433	I	98.1	Very high	95.8	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-58	142.2	172	-158.2	163.1	0	0	0	109.8	V424 V437 F439 W445 F460 E477 V478	V424-I433 HydrophobicContact CB-CB 4.27Å; V424-I433 HydrophobicContact CB-CG2 3.92Å; V424-I433 HydrophobicContact CG1-CB 4.13Å; V424-I433 HydrophobicContact CG1-CD1 4Å; V424-I433 HydrophobicContact CG1-CG2 4.3Å; V424-I433 PolarHBondContact O-N 3.09Å; I433-V437 HydrophobicContact CD1-CG2 4.38Å; I433-V437 HydrophobicContact CG1-CG1 4.21Å; I433-V437 HydrophobicContact CG1-CG2 3.94Å; I433-F439 HydrophobicContact CD1-CZ 4.25Å; I433-W445 HydrophobicContact CB-CH2 4.37Å; I433-W445 HydrophobicContact CD1-CD2 3.95Å; I433-W445 HydrophobicContact CD1-CE3 4.38Å; I433-W445 HydrophobicContact CD1-CG 4.17Å; I433-W445 HydrophobicContact CD1-CZ2 4.43Å; I433-W445 HydrophobicContact CG1-CD2 4.38Å; I433-W445 HydrophobicContact CG1-CE3 4.33Å; I433-W445 HydrophobicContact CG1-CH2 4.48Å; I433-W445 HydrophobicContact CG1-CZ3 4.37Å; I433-F460 HydrophobicContact CD1-CE1 3.81Å; I433-F460 HydrophobicContact CD1-CZ 3.85Å; I433-F460 HydrophobicContact CG1-CZ 4.47Å; I433-F460 HydrophobicContact CG2-CE2 3.84Å; I433-F460 HydrophobicContact CG2-CZ 3.76Å; I433-E477 HydrophobicContact CG2-CB 3.91Å; I433-V478 HydrophobicContact CG1-CG2 4.47Å
434	N	98	Very high	95.8	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	26%	0.262	C	S	.	.			trans	-157.4	168.1	-164.5	65.4	87.5	0	0	0	110.2	Y432 F436 V437 N448 E477 T818	Y432-N434 PolarHBondContact O-ND2 3.28Å; N434-F436 PolarHBondContact O-N 2.93Å; N434-F436 WeakPolarHBondContact OD1-CD2 3.02Å; N434-F436 PolarHBondContact OD1-N 2.72Å; N434-V437 WeakPolarHBondContact O-CG2 3.3Å; N434-V437 PolarHBondContact O-N 2.87Å; N434-N448 PolarHBondContact ND2-OD1 2.77Å; N434-N448 PolarHBondContact OD1-ND2 3.38Å; N434-N448 PolarHBondContact OD1-OD1 3.46Å; N434-E477 CarbonylContact C-O 3.57Å; N434-E477 VanDerWaalsContact CA-O 3.24Å; N434-E477 WeakPolarHBondContact CA-O 3.44Å; N434-T818 HydrophobicContact CB-CG2 4Å
435	P	97.6	Very high	95.9	Very high	12 Å²	12	56.4 Å²	56.4	8%	0.078	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.3	-174.5	-27.1	35.5	0	0	0	116.9	L374 V478 N480	L374-P435 HydrophobicContact CB-CB 4.09Å; L374-P435 HydrophobicContact CD1-CB 4.27Å; L374-P435 HydrophobicContact CD2-CB 4.41Å; P435-V478 VanDerWaalsContact CA-O 3.23Å; P435-V478 WeakPolarHBondContact CA-O 3.36Å; P435-V478 VanDerWaalsContact CB-O 3.23Å; P435-V478 WeakPolarHBondContact CB-O 3.24Å; P435-V478 WeakPolarHBondContact CG-O 3.41Å; P435-N480 VanDerWaalsContact CG-C 3.41Å; P435-N480 WeakPolarHBondContact CG-O 3.49Å
436	F	97.4	Very high	95.9	Very high	18 Å²	18	57.1 Å²	57.1	8%	0.079	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	5.8	-172.3	-44.3	-70.9	0	0	0	113.5	L371 L374 N434 N448 T818 C820	L371-F436 HydrophobicContact CD2-CD1 4.18Å; L374-F436 HydrophobicContact CB-CE1 4.42Å; N434-F436 PolarHBondContact O-N 2.93Å; N434-F436 WeakPolarHBondContact OD1-CD2 3.02Å; N434-F436 PolarHBondContact OD1-N 2.72Å; F436-N448 HydrophobicContact CB-CB 4.38Å; F436-N448 WeakPolarHBondContact O-CB 3.5Å; F436-T818 HydrophobicContact CD2-CG2 3.72Å; F436-T818 HydrophobicContact CE2-CG2 3.86Å; F436-C820 HydrophobicContact CD1-CB 3.46Å; F436-C820 VanDerWaalsContact CD1-CB 3.46Å; F436-C820 HydrophobicContact CD2-CB 3.82Å; F436-C820 HydrophobicContact CE1-CB 3.46Å; F436-C820 VanDerWaalsContact CE1-CB 3.46Å; F436-C820 HydrophobicContact CE2-CB 3.82Å; F436-C820 HydrophobicContact CG-CB 3.66Å; F436-C820 HydrophobicContact CZ-CB 3.65Å
437	V	97.3	Very high	95.9	Very high	13 Å²	13	57.1 Å²	57.1	8%	0.079	26%	0.264	C	S	.	.			trans	-72.6	147	173.9	-56.2	0	0	0	0	111.3	I433 N434 F439 W445	I433-V437 HydrophobicContact CD1-CG2 4.38Å; I433-V437 HydrophobicContact CG1-CG1 4.21Å; I433-V437 HydrophobicContact CG1-CG2 3.94Å; N434-V437 WeakPolarHBondContact O-CG2 3.3Å; N434-V437 PolarHBondContact O-N 2.87Å; V437-F439 HydrophobicContact CG2-CD2 4.34Å; V437-F439 HydrophobicContact CG2-CE2 3.85Å; V437-F439 HydrophobicContact CG2-CZ 4.44Å; V437-W445 HydrophobicContact CB-CE3 3.88Å; V437-W445 HydrophobicContact CB-CZ3 4.41Å; V437-W445 HydrophobicContact CG1-CE3 3.66Å; V437-W445 HydrophobicContact CG1-CZ3 3.68Å; V437-W445 HydrophobicContact CG2-CE3 4.35Å
438	S	95.5	Very high	95.9	Very high	66 Å²	66	50.3 Å²	50.3	46%	0.462	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.5	176	-39.8	0	0	0	0	110	W445 K446	S438-W445 CarbonylContact O-C 3.59Å; S438-W445 WeakPolarHBondContact O-CA 3.29Å; S438-K446 PolarHBondContact N-O 2.83Å; S438-K446 PolarHBondContact O-N 2.92Å
439	F	95.4	Very high	95.8	Very high	53 Å²	53	47.8 Å²	47.8	23%	0.232	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.4	165.7	-71	-92.9	0	0	0	108.8	I433 V437 W445 V456 F460 P472 H473 V478	I433-F439 HydrophobicContact CD1-CZ 4.25Å; V437-F439 HydrophobicContact CG2-CD2 4.34Å; V437-F439 HydrophobicContact CG2-CE2 3.85Å; V437-F439 HydrophobicContact CG2-CZ 4.44Å; F439-W445 HydrophobicContact CD1-CB 4.15Å; F439-W445 HydrophobicContact CE1-CB 4.2Å; F439-V456 HydrophobicContact CD1-CG2 4.17Å; F439-V456 HydrophobicContact CE1-CG2 3.8Å; F439-F460 HydrophobicContact CZ-CE1 4.39Å; F439-P472 HydrophobicContact CD1-CG 4.33Å; F439-P472 HydrophobicContact CE1-CB 3.87Å; F439-P472 HydrophobicContact CE1-CG 3.89Å; F439-P472 HydrophobicContact CZ-CB 4.16Å; F439-H473 HydrophobicContact CD2-CB 4.33Å; F439-H473 HydrophobicContact CE2-CB 4.24Å; F439-V478 HydrophobicContact CE2-CG1 4.11Å; F439-V478 HydrophobicContact CE2-CG2 4.24Å; F439-V478 HydrophobicContact CZ-CG2 4.27Å
440	L	93.9	Very high	95.8	Very high	95 Å²	95	47.3 Å²	47.3	50%	0.497	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-29.3	175.6	-57.5	-178.4	0	0	0	111	R444 K446 V453	L440-R444 PolarHBondContact N-O 3.26Å; L440-K446 HydrophobicContact CD2-CB 4.41Å; L440-K446 HydrophobicContact CG-CB 4.5Å; L440-V453 HydrophobicContact CD1-CB 4.46Å; L440-V453 HydrophobicContact CD1-CG1 3.87Å; L440-V453 HydrophobicContact CD1-CG2 3.68Å
441	D	88.6	Confident	95.7	Very high	56 Å²	56	43.5 Å²	43.5	30%	0.299	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	-178.4	171	54.2	64.6	0	0	0	107.6	R443 R444	D441-R443 PolarHBondContact O-N 3.34Å; D441-R443 VanDerWaalsContact O-N 3.11Å; D441-R443 VanDerWaalsContact OD1-CA 3.29Å; D441-R443 WeakPolarHBondContact OD1-CA 3.23Å; D441-R443 PolarHBondContact OD1-N 2.72Å; D441-R444 PolarHBondContact O-N 2.82Å; D441-R444 PolarHBondContact OD1-N 3.17Å; D441-R444 IonicContact OD1-NE 3.91Å; D441-R444 IonicContact OD2-CZ 3.99Å; D441-R444 IonicContact OD2-NE 2.69Å; D441-R444 PolarHBondContact OD2-NE 3.03Å; D441-R444 IonicContact OD2-NH2 3.15Å; D441-R444 PolarHBondContact OD2-NH2 3.25Å
442	Q	85.3	Confident	95.7	Very high	126 Å²	126	50.8 Å²	50.8	59%	0.589	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.2	179.8	-70.4	179.4	-15.1	0	0	114.3	M461	Q442-M461 HydrophobicContact CB-CE 4.46Å
443	R	90.1	Very high	95.7	Very high	151 Å²	151	52.4 Å²	52.4	57%	0.57	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-4.7	-173.9	-70.8	-174.3	163.7	-166.5	-10	114.3	D441 D455 V456 E458 M461	D441-R443 PolarHBondContact O-N 3.34Å; D441-R443 VanDerWaalsContact O-N 3.11Å; D441-R443 VanDerWaalsContact OD1-CA 3.29Å; D441-R443 WeakPolarHBondContact OD1-CA 3.23Å; D441-R443 PolarHBondContact OD1-N 2.72Å; R443-D455 CarbonylContact O-C 3.57Å; R443-D455 WeakPolarHBondContact O-CA 3.08Å; R443-V456 PolarHBondContact O-N 3Å; R443-E458 IonicContact NH2-OE2 3.21Å; R443-M461 HydrophobicContact CG-SD 4.39Å
444	R	95.7	Very high	95.7	Very high	120 Å²	120	52.7 Å²	52.7	45%	0.453	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	135.5	-178.4	-65.1	-178.9	-63.1	179.8	2.3	113.4	L440 D441 V453 N454	L440-R444 PolarHBondContact N-O 3.26Å; D441-R444 PolarHBondContact O-N 2.82Å; D441-R444 PolarHBondContact OD1-N 3.17Å; D441-R444 IonicContact OD1-NE 3.91Å; D441-R444 IonicContact OD2-CZ 3.99Å; D441-R444 IonicContact OD2-NE 2.69Å; D441-R444 PolarHBondContact OD2-NE 3.03Å; D441-R444 IonicContact OD2-NH2 3.15Å; D441-R444 PolarHBondContact OD2-NH2 3.25Å; R444-V453 HydrophobicContact CB-CG1 4.08Å; R444-N454 CarbonylContact C-O 3.49Å; R444-N454 WeakPolarHBondContact CA-O 3.45Å
445	W	97.4	Very high	95.7	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.7	178.7	67.8	-79.8	0	0	0	112.9	V424 C426 I433 V437 S438 F439 C447 N454 D455 V456	V424-W445 HydrophobicContact CG1-CZ2 3.79Å; C426-W445 HydrophobicContact CB-CH2 3.82Å; C426-W445 HydrophobicContact CB-CZ3 4.43Å; I433-W445 HydrophobicContact CB-CH2 4.37Å; I433-W445 HydrophobicContact CD1-CD2 3.95Å; I433-W445 HydrophobicContact CD1-CE3 4.38Å; I433-W445 HydrophobicContact CD1-CG 4.17Å; I433-W445 HydrophobicContact CD1-CZ2 4.43Å; I433-W445 HydrophobicContact CG1-CD2 4.38Å; I433-W445 HydrophobicContact CG1-CE3 4.33Å; I433-W445 HydrophobicContact CG1-CH2 4.48Å; I433-W445 HydrophobicContact CG1-CZ3 4.37Å; V437-W445 HydrophobicContact CB-CE3 3.88Å; V437-W445 HydrophobicContact CB-CZ3 4.41Å; V437-W445 HydrophobicContact CG1-CE3 3.66Å; V437-W445 HydrophobicContact CG1-CZ3 3.68Å; V437-W445 HydrophobicContact CG2-CE3 4.35Å; S438-W445 CarbonylContact O-C 3.59Å; S438-W445 WeakPolarHBondContact O-CA 3.29Å; F439-W445 HydrophobicContact CD1-CB 4.15Å; F439-W445 HydrophobicContact CE1-CB 4.2Å; W445-C447 HydrophobicContact CE3-CB 4.47Å; W445-C447 HydrophobicContact CZ3-CB 3.9Å; W445-N454 HydrophobicContact CD2-CB 4.19Å; W445-N454 HydrophobicContact CG-CB 4.47Å; W445-N454 HydrophobicContact CZ2-CB 3.97Å; W445-N454 PolarHBondContact N-O 3.1Å; W445-N454 PolarHBondContact O-N 3.3Å; W445-N454 PolarHBondContact O-ND2 3.1Å; W445-N454 VanDerWaalsContact O-ND2 3.13Å; W445-D455 PolarHBondContact NE1-O 3.21Å; W445-V456 HydrophobicContact CB-CG2 4.48Å; W445-V456 HydrophobicContact CG-CG2 4.47Å
446	K	97.9	Very high	95.5	Very high	80 Å²	80	57.3 Å²	57.3	35%	0.348	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	125.7	174.9	-166.8	-177.6	-178.8	-173.8	0	109.3	S438 L440 Y451	S438-K446 PolarHBondContact N-O 2.83Å; S438-K446 PolarHBondContact O-N 2.92Å; L440-K446 HydrophobicContact CD2-CB 4.41Å; L440-K446 HydrophobicContact CG-CB 4.5Å; K446-Y451 WeakPolarHBondContact CE-O 3.44Å; K446-Y451 WeakPolarHBondContact CG-O 3.4Å
447	C	98.3	Very high	95.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.278	C	S	.	.			trans	-72.4	129.8	178	178	0	0	0	0	111.2	C426 W445 L449 Y451 R452	C426-C447 HydrophobicContact CB-CB 3.94Å; W445-C447 HydrophobicContact CE3-CB 4.47Å; W445-C447 HydrophobicContact CZ3-CB 3.9Å; C447-L449 VanDerWaalsContact C-N 3.28Å; C447-L449 PolarHBondContact O-N 3.06Å; C447-L449 PolarHBondContact SG-N 3.42Å; C447-Y451 WeakPolarHBondContact O-CA 3.36Å; C447-Y451 PolarHBondContact O-N 3.35Å; C447-R452 PolarHBondContact N-O 2.82Å
448	N	97.4	Very high	94.9	Very high	14 Å²	14	63.2 Å²	63.2	8%	0.075	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.3	178.6	56.2	-41.4	0	0	0	115.3	N434 F436 Y451 T750 S798	N434-N448 PolarHBondContact ND2-OD1 2.77Å; N434-N448 PolarHBondContact OD1-ND2 3.38Å; N434-N448 PolarHBondContact OD1-OD1 3.46Å; F436-N448 HydrophobicContact CB-CB 4.38Å; F436-N448 WeakPolarHBondContact O-CB 3.5Å; N448-Y451 PolarHBondContact O-OH 2.78Å; N448-T750 PolarHBondContact O-OG1 2.78Å; N448-S798 VanDerWaalsContact ND2-CB 3.3Å; N448-S798 WeakPolarHBondContact ND2-CB 3.27Å; N448-S798 PolarHBondContact ND2-OG 2.74Å; N448-S798 VanDerWaalsContact ND2-OG 3.09Å
449	L	97.6	Very high	94.5	Very high	3 Å²	3	63 Å²	63	2%	0.016	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-36.3	-179.1	-85.8	67.6	0	0	0	113.5	T431 C447 R748 C749 T750 K751 Q800	T431-L449 HydrophobicContact CG2-CB 4.45Å; T431-L449 HydrophobicContact CG2-CD1 4.07Å; T431-L449 HydrophobicContact CG2-CD2 3.98Å; T431-L449 HydrophobicContact CG2-CG 4.39Å; T431-L449 WeakPolarHBondContact OG1-CD2 3.5Å; C447-L449 VanDerWaalsContact C-N 3.28Å; C447-L449 PolarHBondContact O-N 3.06Å; C447-L449 PolarHBondContact SG-N 3.42Å; L449-R748 HydrophobicContact CD2-CB 3.6Å; L449-C749 WeakPolarHBondContact CD2-O 3.46Å; L449-T750 CarbonylContact O-C 3.54Å; L449-T750 WeakPolarHBondContact O-CA 3.44Å; L449-K751 PolarHBondContact O-N 3.44Å; L449-Q800 HydrophobicContact CD2-CB 4.44Å
450	C	96.9	Very high	94.3	Very high	30 Å²	30	60.7 Å²	60.7	20%	0.203	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.8	5	-176.4	74.9	0	0	0	0	114.8	C426 C429 R452	C426-C450 PolarHBondContact SG-SG 2.9Å; C429-C450 HydrophobicContact CB-CB 4.1Å; C429-C450 PolarHBondContact SG-SG 3.22Å; C450-R452 PolarHBondContact O-N 3.13Å
451	Y	95.8	Very high	94	Very high	60 Å²	60	56.5 Å²	56.5	24%	0.235	26%	0.259	C	S	.	.			trans	58.8	-0.3	174.9	-52	-64.4	0	0	0	117.2	K446 C447 N448 T750 M794	K446-Y451 WeakPolarHBondContact CE-O 3.44Å; K446-Y451 WeakPolarHBondContact CG-O 3.4Å; C447-Y451 WeakPolarHBondContact O-CA 3.36Å; C447-Y451 PolarHBondContact O-N 3.35Å; N448-Y451 PolarHBondContact O-OH 2.78Å; Y451-T750 HydrophobicContact CE2-CG2 3.91Å; Y451-T750 WeakPolarHBondContact OH-CG2 3.23Å; Y451-M794 HydrophobicContact CD2-CE 4Å; Y451-M794 HydrophobicContact CD2-SD 4.42Å; Y451-M794 HydrophobicContact CE1-SD 3.9Å; Y451-M794 HydrophobicContact CE2-CE 3.67Å; Y451-M794 HydrophobicContact CE2-SD 3.61Å; Y451-M794 PolarHBondContact OH-SD 3.25Å
452	R	97.8	Very high	93.9	Very high	153 Å²	153	58.7 Å²	58.7	58%	0.577	26%	0.264	S	S	*	.			trans	-63.9	134.7	169.8	-64.2	-126.8	-172.8	-171.5	0.4	110.5	S428 C447 C450 N454	S428-R452 PolarHBondContact OG-NE 2.74Å; C447-R452 PolarHBondContact N-O 2.82Å; C450-R452 PolarHBondContact O-N 3.13Å; R452-N454 PolarHBondContact O-ND2 3.45Å
453	V	98.1	Very high	93.8	Very high	48 Å²	48	53 Å²	53	29%	0.291	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.6	168.5	-174.5	0	0	0	0	109.5	R427 L440 R444	R427-V453 PolarHBondContact NE-O 2.98Å; R427-V453 VanDerWaalsContact NE-O 3.08Å; R427-V453 PolarHBondContact NH2-O 3.37Å; L440-V453 HydrophobicContact CD1-CB 4.46Å; L440-V453 HydrophobicContact CD1-CG1 3.87Å; L440-V453 HydrophobicContact CD1-CG2 3.68Å; R444-V453 HydrophobicContact CB-CG1 4.08Å
454	N	98.3	Very high	93.3	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.032	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152.8	179.9	-40	-95.6	0	0	0	107.7	C426 R427 R444 W445 R452	C426-N454 WeakPolarHBondContact CA-OD1 3.21Å; C426-N454 PolarHBondContact SG-OD1 3.35Å; R427-N454 WeakPolarHBondContact CG-OD1 3.15Å; R427-N454 PolarHBondContact N-OD1 2.9Å; R444-N454 CarbonylContact C-O 3.49Å; R444-N454 WeakPolarHBondContact CA-O 3.45Å; W445-N454 HydrophobicContact CD2-CB 4.19Å; W445-N454 HydrophobicContact CG-CB 4.47Å; W445-N454 HydrophobicContact CZ2-CB 3.97Å; W445-N454 PolarHBondContact N-O 3.1Å; W445-N454 PolarHBondContact O-N 3.3Å; W445-N454 PolarHBondContact O-ND2 3.1Å; W445-N454 VanDerWaalsContact O-ND2 3.13Å; R452-N454 PolarHBondContact O-ND2 3.45Å
455	D	96.8	Very high	92.6	Very high	97 Å²	97	48 Å²	48	52%	0.519	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	151.6	177.2	-45.1	-76.2	0	0	0	109.8	R443 W445	R443-D455 CarbonylContact O-C 3.57Å; R443-D455 WeakPolarHBondContact O-CA 3.08Å; W445-D455 PolarHBondContact NE1-O 3.21Å
456	V	94.9	Very high	91.9	Very high	14 Å²	14	51 Å²	51	9%	0.085	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-90.4	119.3	174.6	178.8	0	0	0	0	107.4	F439 R443 W445 F460 M461 P472	F439-V456 HydrophobicContact CD1-CG2 4.17Å; F439-V456 HydrophobicContact CE1-CG2 3.8Å; R443-V456 PolarHBondContact O-N 3Å; W445-V456 HydrophobicContact CB-CG2 4.48Å; W445-V456 HydrophobicContact CG-CG2 4.47Å; V456-F460 HydrophobicContact CG1-CB 4.01Å; V456-F460 HydrophobicContact CG1-CD1 3.93Å; V456-F460 HydrophobicContact CG1-CG 4.42Å; V456-M461 HydrophobicContact CG1-CG 4.27Å; V456-P472 HydrophobicContact CG1-CB 4.21Å
457	P	92.8	Very high	91.3	Very high	43 Å²	43	56.9 Å²	56.9	28%	0.279	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-64.1	146.6	175.3	-24	36.5	0	0	0	111.8	T422 V424 E459 F460	T422-P457 HydrophobicContact CG2-CG 4.32Å; V424-P457 HydrophobicContact CG2-CG 4Å; P457-E459 VanDerWaalsContact C-N 3.27Å; P457-E459 PolarHBondContact O-N 2.83Å; P457-F460 WeakPolarHBondContact O-CA 3.34Å; P457-F460 VanDerWaalsContact O-CB 3.28Å; P457-F460 WeakPolarHBondContact O-CB 3.33Å; P457-F460 PolarHBondContact O-N 2.96Å
458	E	89.2	Confident	90.7	Very high	111 Å²	111	58.7 Å²	58.7	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-54.1	-41.4	-179.6	-169.1	72.5	-174.7	0	0	112.4	R443 F460 M461 Y469	R443-E458 IonicContact NH2-OE2 3.21Å; E458-F460 PolarHBondContact O-N 2.82Å; E458-M461 WeakPolarHBondContact O-CB 3.16Å; E458-M461 PolarHBondContact O-N 2.7Å; E458-Y469 PolarHBondContact OE1-OH 2.81Å
459	E	87.2	Confident	90.2	Very high	63 Å²	63	63.8 Å²	63.8	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-56.6	-30.7	174.1	-175.1	-174.7	-160.8	0	0	113	S421 T422 P457 M461 Y462 R475	S421-E459 WeakPolarHBondContact CB-OE1 3.42Å; S421-E459 PolarHBondContact N-OE1 3.34Å; S421-E459 PolarHBondContact OG-OE1 3.41Å; S421-E459 PolarHBondContact OG-OE2 2.81Å; T422-E459 WeakPolarHBondContact CA-OE2 3.37Å; T422-E459 WeakPolarHBondContact CB-OE2 3.48Å; T422-E459 PolarHBondContact N-OE2 3.3Å; T422-E459 PolarHBondContact OG1-OE2 2.86Å; P457-E459 VanDerWaalsContact C-N 3.27Å; P457-E459 PolarHBondContact O-N 2.83Å; E459-M461 VanDerWaalsContact C-N 3.32Å; E459-Y462 PolarHBondContact O-N 3.32Å; E459-R475 PolarHBondContact O-NH1 2.86Å
460	F	91	Very high	89.5	Confident	3 Å²	3	64.3 Å²	64.3	1%	0.013	32%	0.316	C	S	.	.	H	α-helix	trans	-81.3	-10.8	179.6	-158.6	-93.1	0	0	0	112.9	V424 I433 F439 V456 P457 E458 Y462 P472 R475 E477 V478	V424-F460 HydrophobicContact CB-CD2 4.23Å; V424-F460 HydrophobicContact CB-CE2 4.36Å; V424-F460 HydrophobicContact CG2-CB 4.09Å; V424-F460 HydrophobicContact CG2-CD2 3.39Å; V424-F460 HydrophobicContact CG2-CE2 3.98Å; V424-F460 HydrophobicContact CG2-CG 3.86Å; I433-F460 HydrophobicContact CD1-CE1 3.81Å; I433-F460 HydrophobicContact CD1-CZ 3.85Å; I433-F460 HydrophobicContact CG1-CZ 4.47Å; I433-F460 HydrophobicContact CG2-CE2 3.84Å; I433-F460 HydrophobicContact CG2-CZ 3.76Å; F439-F460 HydrophobicContact CZ-CE1 4.39Å; V456-F460 HydrophobicContact CG1-CB 4.01Å; V456-F460 HydrophobicContact CG1-CD1 3.93Å; V456-F460 HydrophobicContact CG1-CG 4.42Å; P457-F460 WeakPolarHBondContact O-CA 3.34Å; P457-F460 VanDerWaalsContact O-CB 3.28Å; P457-F460 WeakPolarHBondContact O-CB 3.33Å; P457-F460 PolarHBondContact O-N 2.96Å; E458-F460 PolarHBondContact O-N 2.82Å; F460-Y462 VanDerWaalsContact C-N 3.31Å; F460-P472 HydrophobicContact CD1-CB 3.76Å; F460-P472 HydrophobicContact CE1-CB 4.02Å; F460-R475 HydrophobicContact CE1-CB 4.34Å; F460-R475 HydrophobicContact CE1-CG 4.47Å; F460-R475 HydrophobicContact CZ-CB 4.03Å; F460-R475 HydrophobicContact CZ-CG 4.44Å; F460-R475 WeakPolarHBondContact O-CD 3.47Å; F460-E477 HydrophobicContact CE2-CB 4.47Å; F460-E477 HydrophobicContact CE2-CG 4.42Å; F460-E477 WeakPolarHBondContact CE2-OE1 3.05Å; F460-E477 HydrophobicContact CZ-CB 4.38Å; F460-V478 HydrophobicContact CE1-CG2 4.22Å; F460-V478 HydrophobicContact CZ-CG2 4.04Å
461	M	87.9	Confident	89	Confident	8 Å²	8	65.7 Å²	65.7	4%	0.039	32%	0.32	C	S	.	.	H	α-helix	trans	-76.5	-19.7	169.3	-63.9	-168.8	62.6	0	0	112.2	Q442 R443 V456 E458 E459 Y469 G470	Q442-M461 HydrophobicContact CB-CE 4.46Å; R443-M461 HydrophobicContact CG-SD 4.39Å; V456-M461 HydrophobicContact CG1-CG 4.27Å; E458-M461 WeakPolarHBondContact O-CB 3.16Å; E458-M461 PolarHBondContact O-N 2.7Å; E459-M461 VanDerWaalsContact C-N 3.32Å; M461-Y469 HydrophobicContact CB-CD2 4.2Å; M461-Y469 HydrophobicContact CB-CE2 3.55Å; M461-Y469 HydrophobicContact CE-CE1 4.32Å; M461-Y469 CarbonylContact O-C 3.57Å; M461-Y469 WeakPolarHBondContact O-CA 3.37Å; M461-G470 PolarHBondContact O-N 3.24Å
462	Y	85.8	Confident	88.7	Confident	101 Å²	101	62.9 Å²	62.9	40%	0.396	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-86.8	137.1	169.4	-178.9	-109.9	0	0	0	111.4	E459 F460 R467 S468 R475	E459-Y462 PolarHBondContact O-N 3.32Å; F460-Y462 VanDerWaalsContact C-N 3.31Å; Y462-R467 HydrophobicContact CE2-CB 4.46Å; Y462-S468 WeakPolarHBondContact CD2-O 3.31Å; Y462-R475 WeakPolarHBondContact O-CD 3.38Å; Y462-R475 PolarHBondContact O-NH1 2.87Å
463	N	83	Confident	88.3	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.043	30%	0.3	C	S	.	.			trans	-102.1	114.2	175.1	-174.8	-27.1	0	0	0	110.3	V465 S466 R467 S468 K474 R475	N463-V465 PolarHBondContact O-N 2.96Å; N463-V465 PolarHBondContact OD1-N 3.44Å; N463-S466 VanDerWaalsContact CB-OG 3.29Å; N463-S466 WeakPolarHBondContact CB-OG 3.29Å; N463-S466 PolarHBondContact ND2-OG 3.35Å; N463-S466 PolarHBondContact OD1-N 2.98Å; N463-R467 VanDerWaalsContact O-CA 3.23Å; N463-R467 WeakPolarHBondContact O-CA 3.42Å; N463-R467 PolarHBondContact O-N 3.18Å; N463-S468 PolarHBondContact N-O 3.05Å; N463-K474 PolarHBondContact ND2-O 3.36Å; N463-R475 HydrophobicContact CB-CG 4.26Å
464	P	79.1	Confident	87.9	Confident	51 Å²	51	62 Å²	62	33%	0.331	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.3	-174.6	28.1	-35.1	0	0	0	114
465	V	81.4	Confident	87.7	Confident	113 Å²	113	62 Å²	62	69%	0.685	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-51.8	-177.8	-179.2	0	0	0	0	111.2	N463 R467 P476	N463-V465 PolarHBondContact O-N 2.96Å; N463-V465 PolarHBondContact OD1-N 3.44Å; V465-R467 VanDerWaalsContact C-N 3.34Å; V465-P476 HydrophobicContact CG2-CG 3.6Å
466	S	83.7	Confident	87.5	Confident	66 Å²	66	58 Å²	58	46%	0.462	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-13.1	178.2	58.4	0	0	0	0	113.9	N463 S468	N463-S466 VanDerWaalsContact CB-OG 3.29Å; N463-S466 WeakPolarHBondContact CB-OG 3.29Å; N463-S466 PolarHBondContact ND2-OG 3.35Å; N463-S466 PolarHBondContact OD1-N 2.98Å; S466-S468 PolarHBondContact O-N 3.11Å; S466-S468 PolarHBondContact OG-OG 3.35Å
467	R	83.5	Confident	87.5	Confident	203 Å²	203	57.4 Å²	57.4	77%	0.766	28%	0.282	S	S	*	.			trans	57.1	23.1	-172.1	-51.9	-176.8	-177.9	-179.8	0.2	113.9	Y462 N463 V465	Y462-R467 HydrophobicContact CE2-CB 4.46Å; N463-R467 VanDerWaalsContact O-CA 3.23Å; N463-R467 WeakPolarHBondContact O-CA 3.42Å; N463-R467 PolarHBondContact O-N 3.18Å; V465-R467 VanDerWaalsContact C-N 3.34Å
468	S	85.6	Confident	87.6	Confident	37 Å²	37	55.9 Å²	55.9	26%	0.259	27%	0.271	S	S	.	.			trans	-95.4	157.3	175.1	60.7	0	0	0	0	111.8	Y462 N463 S466	Y462-S468 WeakPolarHBondContact CD2-O 3.31Å; N463-S468 PolarHBondContact N-O 3.05Å; S466-S468 PolarHBondContact O-N 3.11Å; S466-S468 PolarHBondContact OG-OG 3.35Å
469	Y	88.3	Confident	87.9	Confident	122 Å²	122	55 Å²	55	48%	0.478	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-120.4	147.5	179	179.1	-88.6	0	0	0	110.7	E458 M461	E458-Y469 PolarHBondContact OE1-OH 2.81Å; M461-Y469 HydrophobicContact CB-CD2 4.2Å; M461-Y469 HydrophobicContact CB-CE2 3.55Å; M461-Y469 HydrophobicContact CE-CE1 4.32Å; M461-Y469 CarbonylContact O-C 3.57Å; M461-Y469 WeakPolarHBondContact O-CA 3.37Å
470	G	82.2	Confident	88.3	Confident	13 Å²	13	54.9 Å²	54.9	13%	0.134	27%	0.269	C	S	.	.	S	Bend	trans	98.6	-2	174.5	0	0	0	0	0	115.6	M461 P472	M461-G470 PolarHBondContact O-N 3.24Å; G470-P472 VanDerWaalsContact C-CD 3.44Å; G470-P472 VanDerWaalsContact O-CD 3.25Å; G470-P472 WeakPolarHBondContact O-CD 3.28Å
471	E	86.4	Confident	88.6	Confident	60 Å²	60	55 Å²	55	28%	0.28	27%	0.271	S	S	.	.			trans	-120.9	64.5	-172.4	-58.6	-166.7	105.8	0	0	112.8	H473 K474	E471-H473 PolarHBondContact O-N 2.83Å; E471-H473 VanDerWaalsContact O-N 3.11Å; E471-K474 HydrophobicContact CB-CB 4.32Å; E471-K474 HydrophobicContact CB-CD 4.24Å; E471-K474 HydrophobicContact CB-CG 4.24Å; E471-K474 VanDerWaalsContact CD-CE 3.49Å; E471-K474 PolarHBondContact O-N 3.08Å; E471-K474 WeakPolarHBondContact OE1-CE 3.36Å; E471-K474 IonicContact OE1-NZ 2.77Å; E471-K474 PolarHBondContact OE1-NZ 3.31Å; E471-K474 WeakPolarHBondContact OE2-CD 3.19Å; E471-K474 WeakPolarHBondContact OE2-CE 3.15Å; E471-K474 IonicContact OE2-NZ 2.81Å; E471-K474 PolarHBondContact OE2-NZ 2.89Å
472	P	88.9	Confident	89	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-61.2	-25.1	-174.3	25.8	-35.5	0	0	0	113.4	F439 V456 F460 G470 K474 R475	F439-P472 HydrophobicContact CD1-CG 4.33Å; F439-P472 HydrophobicContact CE1-CB 3.87Å; F439-P472 HydrophobicContact CE1-CG 3.89Å; F439-P472 HydrophobicContact CZ-CB 4.16Å; V456-P472 HydrophobicContact CG1-CB 4.21Å; F460-P472 HydrophobicContact CD1-CB 3.76Å; F460-P472 HydrophobicContact CE1-CB 4.02Å; G470-P472 VanDerWaalsContact C-CD 3.44Å; G470-P472 VanDerWaalsContact O-CD 3.25Å; G470-P472 WeakPolarHBondContact O-CD 3.28Å; P472-K474 VanDerWaalsContact C-N 3.3Å; P472-K474 PolarHBondContact O-N 2.9Å; P472-R475 WeakPolarHBondContact O-CB 3.49Å; P472-R475 PolarHBondContact O-N 2.82Å
473	H	89.6	Confident	89.6	Confident	84 Å²	84	51.1 Å²	51.1	39%	0.389	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-70.7	-19.3	175.4	55.5	85.5	0	0	0	114	F439 E471 Q479	F439-H473 HydrophobicContact CD2-CB 4.33Å; F439-H473 HydrophobicContact CE2-CB 4.24Å; E471-H473 PolarHBondContact O-N 2.83Å; E471-H473 VanDerWaalsContact O-N 3.11Å; H473-Q479 PolarHBondContact O-NE2 2.81Å
474	K	91.1	Very high	90.3	Very high	99 Å²	99	51 Å²	51	43%	0.43	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-88.1	-2.2	175.1	-67.7	-170.3	-172.4	163.3	0	113.6	N463 E471 P472	N463-K474 PolarHBondContact ND2-O 3.36Å; E471-K474 HydrophobicContact CB-CB 4.32Å; E471-K474 HydrophobicContact CB-CD 4.24Å; E471-K474 HydrophobicContact CB-CG 4.24Å; E471-K474 VanDerWaalsContact CD-CE 3.49Å; E471-K474 PolarHBondContact O-N 3.08Å; E471-K474 WeakPolarHBondContact OE1-CE 3.36Å; E471-K474 IonicContact OE1-NZ 2.77Å; E471-K474 PolarHBondContact OE1-NZ 3.31Å; E471-K474 WeakPolarHBondContact OE2-CD 3.19Å; E471-K474 WeakPolarHBondContact OE2-CE 3.15Å; E471-K474 IonicContact OE2-NZ 2.81Å; E471-K474 PolarHBondContact OE2-NZ 2.89Å; P472-K474 VanDerWaalsContact C-N 3.3Å; P472-K474 PolarHBondContact O-N 2.9Å
475	R	92.4	Very high	91.1	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.015	24%	0.242	C	C	.	.	S	Bend	trans	-65.6	147.6	-179.8	-82	-164.7	62.3	132.3	-11.3	111.8	S420 E459 F460 Y462 N463 P472 E477 V478 Q479	S420-R475 PolarHBondContact OG-NH2 3.06Å; E459-R475 PolarHBondContact O-NH1 2.86Å; F460-R475 HydrophobicContact CE1-CB 4.34Å; F460-R475 HydrophobicContact CE1-CG 4.47Å; F460-R475 HydrophobicContact CZ-CB 4.03Å; F460-R475 HydrophobicContact CZ-CG 4.44Å; F460-R475 WeakPolarHBondContact O-CD 3.47Å; Y462-R475 WeakPolarHBondContact O-CD 3.38Å; Y462-R475 PolarHBondContact O-NH1 2.87Å; N463-R475 HydrophobicContact CB-CG 4.26Å; P472-R475 WeakPolarHBondContact O-CB 3.49Å; P472-R475 PolarHBondContact O-N 2.82Å; R475-E477 WeakPolarHBondContact CB-OE2 3.37Å; R475-E477 IonicContact CZ-OE1 3.9Å; R475-E477 IonicContact CZ-OE2 3.96Å; R475-E477 IonicContact NE-OE1 3.51Å; R475-E477 PolarHBondContact NE-OE1 2.99Å; R475-E477 IonicContact NE-OE2 3.05Å; R475-E477 PolarHBondContact NE-OE2 2.87Å; R475-E477 IonicContact NH2-OE1 3.55Å; R475-E477 PolarHBondContact NH2-OE1 3.1Å; R475-E477 IonicContact NH2-OE2 3.8Å; R475-E477 PolarHBondContact O-N 2.88Å; R475-E477 VanDerWaalsContact O-N 3.08Å; R475-V478 PolarHBondContact O-N 3.04Å; R475-Q479 PolarHBondContact O-N 2.84Å; R475-Q479 VanDerWaalsContact O-N 3.1Å
476	P	92.9	Very high	91.8	Very high	14 Å²	14	45.7 Å²	45.7	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-50.5	-36.8	-178.4	-29.2	35.8	0	0	0	114.3	V418 V465 V478 Q479 N480	V418-P476 HydrophobicContact CG2-CB 3.97Å; V465-P476 HydrophobicContact CG2-CG 3.6Å; P476-V478 PolarHBondContact O-N 3.34Å; P476-Q479 PolarHBondContact O-N 2.88Å; P476-N480 PolarHBondContact O-N 2.94Å; P476-N480 VanDerWaalsContact O-N 3.08Å; P476-N480 PolarHBondContact O-ND2 3.42Å
477	E	94.8	Very high	92.3	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-24.1	178.5	-54.6	95.8	125.9	0	0	114.2	V418 I433 N434 F460 R475 I483 F485	V418-E477 HydrophobicContact CG1-CG 4.35Å; V418-E477 HydrophobicContact CG2-CG 4.34Å; I433-E477 HydrophobicContact CG2-CB 3.91Å; N434-E477 CarbonylContact C-O 3.57Å; N434-E477 VanDerWaalsContact CA-O 3.24Å; N434-E477 WeakPolarHBondContact CA-O 3.44Å; F460-E477 HydrophobicContact CE2-CB 4.47Å; F460-E477 HydrophobicContact CE2-CG 4.42Å; F460-E477 WeakPolarHBondContact CE2-OE1 3.05Å; F460-E477 HydrophobicContact CZ-CB 4.38Å; R475-E477 WeakPolarHBondContact CB-OE2 3.37Å; R475-E477 IonicContact CZ-OE1 3.9Å; R475-E477 IonicContact CZ-OE2 3.96Å; R475-E477 IonicContact NE-OE1 3.51Å; R475-E477 PolarHBondContact NE-OE1 2.99Å; R475-E477 IonicContact NE-OE2 3.05Å; R475-E477 PolarHBondContact NE-OE2 2.87Å; R475-E477 IonicContact NH2-OE1 3.55Å; R475-E477 PolarHBondContact NH2-OE1 3.1Å; R475-E477 IonicContact NH2-OE2 3.8Å; R475-E477 PolarHBondContact O-N 2.88Å; R475-E477 VanDerWaalsContact O-N 3.08Å; E477-I483 HydrophobicContact CB-CD1 4.03Å; E477-I483 HydrophobicContact CG-CD1 4Å; E477-F485 HydrophobicContact CG-CE1 3.62Å; E477-F485 HydrophobicContact CG-CZ 3.68Å
478	V	95.8	Very high	92.7	Very high	10 Å²	10	34.8 Å²	34.8	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-100.7	-15.9	177.9	-171.4	0	0	0	0	111.1	I433 P435 F439 F460 R475 P476	I433-V478 HydrophobicContact CG1-CG2 4.47Å; P435-V478 VanDerWaalsContact CA-O 3.23Å; P435-V478 WeakPolarHBondContact CA-O 3.36Å; P435-V478 VanDerWaalsContact CB-O 3.23Å; P435-V478 WeakPolarHBondContact CB-O 3.24Å; P435-V478 WeakPolarHBondContact CG-O 3.41Å; F439-V478 HydrophobicContact CE2-CG1 4.11Å; F439-V478 HydrophobicContact CE2-CG2 4.24Å; F439-V478 HydrophobicContact CZ-CG2 4.27Å; F460-V478 HydrophobicContact CE1-CG2 4.22Å; F460-V478 HydrophobicContact CZ-CG2 4.04Å; R475-V478 PolarHBondContact O-N 3.04Å; P476-V478 PolarHBondContact O-N 3.34Å
479	Q	95.1	Very high	92.9	Very high	94 Å²	94	37.6 Å²	37.6	44%	0.439	20%	0.195	S	C	.	.	H	α-helix	trans	-98	-7.5	-180	-65.9	-63.4	-56.4	0	0	114	L374 H473 R475 P476	L374-Q479 VanDerWaalsContact CD2-O 3.28Å; L374-Q479 WeakPolarHBondContact CD2-O 3.4Å; H473-Q479 PolarHBondContact O-NE2 2.81Å; R475-Q479 PolarHBondContact O-N 2.84Å; R475-Q479 VanDerWaalsContact O-N 3.1Å; P476-Q479 PolarHBondContact O-N 2.88Å
480	N	95.9	Very high	93.1	Very high	59 Å²	59	38 Å²	38	32%	0.316	20%	0.201	S	C	.	.			trans	-138.8	127.6	-175.7	-58.8	-94.8	0	0	0	111.6	P416 P435 P476 T482 I483	P416-N480 HydrophobicContact CG-CB 4.22Å; P435-N480 VanDerWaalsContact CG-C 3.41Å; P435-N480 WeakPolarHBondContact CG-O 3.49Å; P476-N480 PolarHBondContact O-N 2.94Å; P476-N480 VanDerWaalsContact O-N 3.08Å; P476-N480 PolarHBondContact O-ND2 3.42Å; N480-T482 VanDerWaalsContact C-N 3.25Å; N480-T482 PolarHBondContact O-N 3.46Å; N480-I483 HydrophobicContact CB-CG2 3.68Å
481	A	96.8	Very high	93.6	Very high	7 Å²	7	38.4 Å²	38.4	6%	0.058	20%	0.199	C	C	.	.	S	Bend	trans	-68.3	-22.4	172.5	0	0	0	0	0	113.9	L374 C376 H817 T818	L374-A481 WeakPolarHBondContact O-CB 3.47Å; C376-A481 HydrophobicContact CB-CB 4.13Å; A481-H817 CarbonylContact O-C 3.48Å; A481-H817 WeakPolarHBondContact O-CA 3.31Å; A481-T818 WeakPolarHBondContact CB-O 3.33Å; A481-T818 PolarHBondContact O-N 3.01Å
482	T	97.8	Very high	93.8	Very high	23 Å²	23	38.6 Å²	38.6	14%	0.141	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.3	179.5	-73.7	0	0	0	0	110.1	L412 L415 N480 V816 H817	L412-T482 HydrophobicContact CD1-CG2 3.85Å; L415-T482 HydrophobicContact CD1-CG2 3.67Å; N480-T482 VanDerWaalsContact C-N 3.25Å; N480-T482 PolarHBondContact O-N 3.46Å; T482-V816 WeakPolarHBondContact CA-O 3.34Å; T482-H817 WeakPolarHBondContact CG2-ND1 3.24Å; T482-H817 PolarHBondContact OG1-ND1 2.86Å
483	I	96.8	Very high	93.9	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	161.9	-174.8	59.4	-175.9	0	0	0	110.6	P416 E477 N480 F485 R815 V816	P416-I483 HydrophobicContact CB-CG2 4.32Å; E477-I483 HydrophobicContact CB-CD1 4.03Å; E477-I483 HydrophobicContact CG-CD1 4Å; N480-I483 HydrophobicContact CB-CG2 3.68Å; I483-F485 HydrophobicContact CD1-CE1 4.46Å; I483-F485 HydrophobicContact CD1-CE2 3.54Å; I483-F485 HydrophobicContact CD1-CZ 3.51Å; I483-F485 HydrophobicContact CG1-CE2 4Å; I483-F485 HydrophobicContact CG1-CZ 4.4Å; I483-R815 WeakPolarHBondContact O-CA 3.43Å; I483-V816 HydrophobicContact CG1-CB 4.03Å; I483-V816 PolarHBondContact N-O 3.39Å; I483-V816 VanDerWaalsContact N-O 3.08Å; I483-V816 PolarHBondContact O-N 3.47Å
484	E	97.3	Very high	94.1	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.023	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	117.8	174.6	-168.5	169.4	102.1	0	0	111.1	L415 P416 V417 V418 Y805 R813 I814 R815	L415-E484 HydrophobicContact CD1-CB 4.28Å; L415-E484 HydrophobicContact CD2-CB 3.95Å; L415-E484 WeakPolarHBondContact CD2-OE2 3.41Å; L415-E484 HydrophobicContact CG-CB 4.04Å; P416-E484 PolarHBondContact O-N 2.98Å; V417-E484 CarbonylContact C-O 3.37Å; V417-E484 VanDerWaalsContact CA-O 3.23Å; V417-E484 WeakPolarHBondContact CA-O 3.45Å; V418-E484 PolarHBondContact N-O 3.07Å; E484-Y805 PolarHBondContact OE1-OH 3.28Å; E484-Y805 VanDerWaalsContact OE1-OH 3.11Å; E484-Y805 PolarHBondContact OE2-OH 3Å; E484-Y805 VanDerWaalsContact OE2-OH 3.06Å; E484-R813 HydrophobicContact CG-CB 4.36Å; E484-R813 VanDerWaalsContact OE1-CD 3.3Å; E484-R813 WeakPolarHBondContact OE1-CD 3.3Å; E484-R813 IonicContact OE1-CZ 2.72Å; E484-R813 IonicContact OE1-NE 3.35Å; E484-R813 IonicContact OE1-NH1 2.78Å; E484-R813 PolarHBondContact OE1-NH1 2.88Å; E484-I814 CarbonylContact C-O 3.56Å; E484-I814 WeakPolarHBondContact CA-O 3.35Å; E484-R815 HydrophobicContact CG-CB 4.31Å; E484-R815 IonicContact OE2-CZ 3.56Å; E484-R815 IonicContact OE2-NE 2.77Å; E484-R815 PolarHBondContact OE2-NE 3.07Å; E484-R815 IonicContact OE2-NH2 2.65Å; E484-R815 PolarHBondContact OE2-NH2 2.85Å
485	F	96.7	Very high	94.2	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	142	175.6	-60.8	-87.3	0	0	0	111.2	V418 I423 Y432 E477 I483 R813 I814 V816	V418-F485 HydrophobicContact CB-CD1 3.89Å; V418-F485 HydrophobicContact CB-CE1 4.19Å; V418-F485 HydrophobicContact CG1-CD1 3.94Å; V418-F485 HydrophobicContact CG1-CE1 4.02Å; V418-F485 WeakPolarHBondContact O-CA 3.16Å; I423-F485 HydrophobicContact CD1-CB 3.7Å; I423-F485 HydrophobicContact CD1-CD1 4.13Å; I423-F485 HydrophobicContact CD1-CG 3.97Å; I423-F485 HydrophobicContact CG1-CD1 4.13Å; I423-F485 HydrophobicContact CG1-CG 4.46Å; I423-F485 HydrophobicContact CG2-CD1 4.17Å; I423-F485 HydrophobicContact CG2-CD2 4.46Å; I423-F485 HydrophobicContact CG2-CE1 4.1Å; I423-F485 HydrophobicContact CG2-CE2 4.39Å; I423-F485 HydrophobicContact CG2-CG 4.35Å; I423-F485 HydrophobicContact CG2-CZ 4.21Å; Y432-F485 HydrophobicContact CD1-CE2 4.23Å; E477-F485 HydrophobicContact CG-CE1 3.62Å; E477-F485 HydrophobicContact CG-CZ 3.68Å; I483-F485 HydrophobicContact CD1-CE1 4.46Å; I483-F485 HydrophobicContact CD1-CE2 3.54Å; I483-F485 HydrophobicContact CD1-CZ 3.51Å; I483-F485 HydrophobicContact CG1-CE2 4Å; I483-F485 HydrophobicContact CG1-CZ 4.4Å; F485-R813 CarbonylContact O-C 3.46Å; F485-R813 WeakPolarHBondContact O-CA 3.29Å; F485-I814 HydrophobicContact CB-CB 4.31Å; F485-I814 HydrophobicContact CD2-CB 4.37Å; F485-I814 PolarHBondContact N-O 2.83Å; F485-I814 PolarHBondContact O-N 2.93Å; F485-V816 HydrophobicContact CD2-CG2 4.13Å; F485-V816 HydrophobicContact CE2-CG2 3.88Å
486	I	95.8	Very high	94.4	Very high	51 Å²	51	49 Å²	49	26%	0.262	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	124.9	153.3	-56	-173.2	0	0	0	107	V417 V418	V417-I486 HydrophobicContact CG1-CD1 4.39Å; V417-I486 HydrophobicContact CG1-CG1 4.04Å; V418-I486 PolarHBondContact O-N 3.35Å
487	A	93.9	Very high	94.4	Very high	6 Å²	6	48.7 Å²	48.7	5%	0.05	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-94.2	131.5	-169.3	0	0	0	0	0	112.1	Y491 R812 I814	A487-Y491 HydrophobicContact CB-CD2 3.95Å; A487-Y491 HydrophobicContact CB-CG 4.05Å; A487-R812 HydrophobicContact CB-CB 4.13Å; A487-R812 HydrophobicContact CB-CG 4.09Å; A487-R812 WeakPolarHBondContact CB-O 3.44Å; A487-R812 PolarHBondContact N-O 2.93Å; A487-I814 HydrophobicContact CB-CD1 3.75Å; A487-I814 HydrophobicContact CB-CG1 3.99Å
488	P	92.1	Very high	94.5	Very high	34 Å²	34	49.8 Å²	49.8	22%	0.221	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-67	169	174	27.7	-34.1	0	0	0	112.1	I423 E490 Y491	I423-P488 HydrophobicContact CD1-CG 4.49Å; P488-E490 HydrophobicContact CB-CG 4.5Å; P488-E490 HydrophobicContact CG-CG 3.98Å; P488-E490 PolarHBondContact O-N 2.97Å; P488-Y491 HydrophobicContact CG-CD2 3.9Å; P488-Y491 HydrophobicContact CG-CE2 3.89Å; P488-Y491 PolarHBondContact O-N 2.88Å
489	S	90.1	Very high	94.6	Very high	95 Å²	95	49.3 Å²	49.3	66%	0.664	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-58	-22.5	-174.3	48.9	0	0	0	0	115.1	Y491 M492	S489-Y491 PolarHBondContact O-N 3Å; S489-Y491 VanDerWaalsContact O-N 3.08Å; S489-M492 WeakPolarHBondContact O-CB 3.15Å; S489-M492 PolarHBondContact O-N 3.03Å
490	E	91.9	Very high	94.8	Very high	131 Å²	131	44.9 Å²	44.9	61%	0.612	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-61.8	-13	172.9	60.1	153.4	-110.8	0	0	114.5	R425 P488	R425-E490 IonicContact CZ-OE1 3.5Å; R425-E490 IonicContact NH1-OE1 3.72Å; R425-E490 IonicContact NH2-OE1 2.86Å; R425-E490 PolarHBondContact NH2-OE1 2.95Å; R425-E490 IonicContact NH2-OE2 2.72Å; P488-E490 HydrophobicContact CB-CG 4.5Å; P488-E490 HydrophobicContact CG-CG 3.98Å; P488-E490 PolarHBondContact O-N 2.97Å
491	Y	92.8	Very high	94.9	Very high	22 Å²	22	42.1 Å²	42.1	9%	0.086	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-97.5	10.6	174.2	-65	-91.6	0	0	0	113.7	I423 R425 A487 P488 S489 L804 R812 I814	I423-Y491 HydrophobicContact CD1-CE2 3.95Å; R425-Y491 PolarHBondContact NE-OH 3.05Å; R425-Y491 PolarHBondContact NH1-OH 2.93Å; A487-Y491 HydrophobicContact CB-CD2 3.95Å; A487-Y491 HydrophobicContact CB-CG 4.05Å; P488-Y491 HydrophobicContact CG-CD2 3.9Å; P488-Y491 HydrophobicContact CG-CE2 3.89Å; P488-Y491 PolarHBondContact O-N 2.88Å; S489-Y491 PolarHBondContact O-N 3Å; S489-Y491 VanDerWaalsContact O-N 3.08Å; Y491-L804 HydrophobicContact CD1-CD1 4.11Å; Y491-L804 HydrophobicContact CD1-CD2 4.24Å; Y491-L804 HydrophobicContact CG-CD1 4.36Å; Y491-R812 PolarHBondContact O-NE 3.44Å; Y491-R812 VanDerWaalsContact O-NE 3.12Å; Y491-I814 HydrophobicContact CD1-CD1 3.66Å; Y491-I814 HydrophobicContact CD1-CG1 4.42Å; Y491-I814 HydrophobicContact CD2-CD1 4.17Å; Y491-I814 HydrophobicContact CE1-CD1 3.4Å; Y491-I814 VanDerWaalsContact CE1-CD1 3.4Å; Y491-I814 HydrophobicContact CE1-CG1 4.46Å; Y491-I814 HydrophobicContact CE2-CD1 3.97Å; Y491-I814 HydrophobicContact CG-CD1 4.02Å
492	M	91.3	Very high	95	Very high	63 Å²	63	41.8 Å²	41.8	31%	0.31	23%	0.227	S	C	.	.			trans	-119	118.3	-177.4	-55	177.7	-166.6	0	0	110.1	S489 P496 R812	S489-M492 WeakPolarHBondContact O-CB 3.15Å; S489-M492 PolarHBondContact O-N 3.03Å; M492-P496 HydrophobicContact CE-CG 4.22Å; M492-P496 HydrophobicContact CG-CG 4.48Å; M492-P496 HydrophobicContact SD-CG 3.86Å; M492-R812 HydrophobicContact CE-CB 3.65Å; M492-R812 HydrophobicContact CG-CB 4.04Å; M492-R812 HydrophobicContact CG-CG 4.09Å
493	L	90.9	Very high	95	Very high	190 Å²	190	40.7 Å²	40.7	100%	0.995	22%	0.221	S	C	*	.	S	Bend	trans	-83.7	-20	171.9	-64	176.5	0	0	0	112.5
494	R	93.9	Very high	95.1	Very high	87 Å²	87	40.5 Å²	40.5	33%	0.328	22%	0.22	S	C	.	.	S	Bend	trans	-151.5	163.7	177.2	62.4	176.9	-174.9	164.9	3.3	107.8	T625 E742	R494-T625 VanDerWaalsContact CZ-O 3.29Å; R494-T625 PolarHBondContact NH1-O 3.46Å; R494-T625 PolarHBondContact NH2-O 3.03Å; R494-E742 IonicContact CZ-OE2 3.17Å; R494-E742 VanDerWaalsContact CZ-OE2 3.29Å; R494-E742 IonicContact NE-OE2 2.8Å; R494-E742 PolarHBondContact NE-OE2 3.26Å; R494-E742 IonicContact NH2-OE2 2.74Å; R494-E742 PolarHBondContact NH2-OE2 3.16Å
495	P	94	Very high	95.2	Very high	112 Å²	112	40.2 Å²	40.2	73%	0.727	22%	0.219	S	C	*	.	S	Bend	trans	-53.1	139.5	171.2	-25.7	35.5	0	0	0	111.3	Q497	P495-Q497 PolarHBondContact O-N 3.44Å
496	P	95.3	Very high	95.3	Very high	19 Å²	19	40.1 Å²	40.1	12%	0.123	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-57.3	127.5	-176.3	-26.3	35	0	0	0	112.7	M492 R536 T806 G810	M492-P496 HydrophobicContact CE-CG 4.22Å; M492-P496 HydrophobicContact CG-CG 4.48Å; M492-P496 HydrophobicContact SD-CG 3.86Å; P496-R536 PolarHBondContact O-NH1 3.05Å; P496-T806 HydrophobicContact CB-CG2 3.67Å; P496-G810 WeakPolarHBondContact CB-O 3.39Å; P496-G810 WeakPolarHBondContact CG-O 3.09Å
497	Q	93.7	Very high	95.5	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.028	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-61	151.6	-174	72.5	175.3	-88.5	0	0	112.3	P495 R536 T625 F741 E742	P495-Q497 PolarHBondContact O-N 3.44Å; Q497-R536 PolarHBondContact O-NH2 3.35Å; Q497-T625 PolarHBondContact OE1-O 2.74Å; Q497-F741 HydrophobicContact CG-CB 3.92Å; Q497-F741 HydrophobicContact CG-CG 4.42Å; Q497-E742 HydrophobicContact CG-CG 4.11Å; Q497-E742 PolarHBondContact N-OE1 2.99Å; Q497-E742 VanDerWaalsContact N-OE1 3.13Å; Q497-E742 PolarHBondContact NE2-OE2 3.45Å
498	P	96.5	Very high	95.7	Very high	25 Å²	25	37.4 Å²	37.4	16%	0.162	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-66.7	162.9	163.9	31.2	-35.3	0	0	0	110.6	V500 R536	P498-V500 HydrophobicContact CG-CG2 3.95Å; P498-V500 PolarHBondContact O-N 3.09Å; P498-R536 HydrophobicContact CB-CB 3.83Å; P498-R536 WeakPolarHBondContact CB-O 3.39Å
499	A	98.1	Very high	95.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-67.9	122.8	164.7	0	0	0	0	0	109	Y501 P532 T537 K538 F741	A499-Y501 HydrophobicContact CB-CE2 4.06Å; A499-P532 WeakPolarHBondContact CB-O 3.41Å; A499-T537 HydrophobicContact CB-CG2 4.19Å; A499-T537 CarbonylContact O-C 3.58Å; A499-T537 WeakPolarHBondContact O-CA 3.37Å; A499-K538 PolarHBondContact O-N 2.65Å; A499-F741 HydrophobicContact CB-CE2 3.78Å; A499-F741 HydrophobicContact CB-CZ 3.75Å
500	V	98.4	Very high	96.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.1	178.5	-171.8	0	0	0	0	109.6	P498 K538 L580 L622 T625 R628	P498-V500 HydrophobicContact CG-CG2 3.95Å; P498-V500 PolarHBondContact O-N 3.09Å; V500-K538 WeakPolarHBondContact CA-O 3.2Å; V500-K538 HydrophobicContact CG1-CB 4.15Å; V500-K538 HydrophobicContact CG2-CB 4.27Å; V500-L580 HydrophobicContact CG1-CD1 4.27Å; V500-L580 HydrophobicContact CG1-CD2 3.99Å; V500-L622 HydrophobicContact CB-CD2 4.47Å; V500-L622 HydrophobicContact CG1-CD2 3.58Å; V500-T625 HydrophobicContact CG2-CG2 4.49Å; V500-R628 PolarHBondContact O-N 2.91Å
501	Y	98.7	Very high	96.5	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.4	-178.1	-62.4	-61.5	0	0	0	111.1	A499 L531 P532 T537 K538 V539 G540 R628 F741	A499-Y501 HydrophobicContact CB-CE2 4.06Å; Y501-L531 HydrophobicContact CD2-CD1 4.42Å; Y501-L531 HydrophobicContact CE2-CB 4.18Å; Y501-P532 PolarHBondContact OH-O 3.38Å; Y501-T537 HydrophobicContact CD2-CG2 4.23Å; Y501-T537 HydrophobicContact CE2-CG2 4.22Å; Y501-K538 PolarHBondContact N-O 3Å; Y501-V539 CarbonylContact O-C 3.54Å; Y501-V539 VanDerWaalsContact O-CA 3.28Å; Y501-V539 WeakPolarHBondContact O-CA 3.15Å; Y501-G540 PolarHBondContact O-N 3.28Å; Y501-R628 HydrophobicContact CD1-CB 4.06Å; Y501-R628 HydrophobicContact CE1-CB 4.31Å; Y501-R628 VanDerWaalsContact CE1-NH2 3.27Å; Y501-F741 HydrophobicContact CE1-CZ 4.22Å
502	L	98.8	Very high	96.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125	174.5	179.2	55.6	0	0	0	109.5	V504 G540 I542 A618 L621 L622 R628 M629 S630	L502-V504 HydrophobicContact CG-CG2 4.1Å; L502-G540 VanDerWaalsContact CD1-C 3.46Å; L502-G540 WeakPolarHBondContact CD1-O 3.41Å; L502-I542 HydrophobicContact CD1-CD1 4.27Å; L502-I542 HydrophobicContact CD1-CG1 4.23Å; L502-I542 HydrophobicContact CD2-CD1 4.24Å; L502-A618 HydrophobicContact CD2-CB 3.61Å; L502-L621 HydrophobicContact CD1-CD2 4.25Å; L502-L621 HydrophobicContact CD2-CD2 4.12Å; L502-L622 HydrophobicContact CB-CD1 4.02Å; L502-L622 HydrophobicContact CB-CD2 4.08Å; L502-L622 HydrophobicContact CB-CG 4.2Å; L502-L622 HydrophobicContact CD2-CD1 3.95Å; L502-L622 HydrophobicContact CD2-CD2 4.38Å; L502-L622 HydrophobicContact CD2-CG 3.78Å; L502-R628 PolarHBondContact N-O 3.17Å; L502-M629 CarbonylContact O-C 3.56Å; L502-M629 WeakPolarHBondContact O-CA 3.49Å; L502-S630 PolarHBondContact O-N 2.97Å
503	F	98.9	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.2	175.9	-60.2	-81.8	0	0	0	109.6	L505 F520 L524 V539 G540 F541 I542 F632 L735	F503-L505 HydrophobicContact CB-CD2 4.29Å; F503-F520 HydrophobicContact CB-CZ 3.98Å; F503-F520 AromaticContact CD1-CE2 3.61Å; F503-F520 HydrophobicContact CD1-CE2 3.61Å; F503-F520 AromaticContact CD1-CZ 3.48Å; F503-F520 HydrophobicContact CD1-CZ 3.48Å; F503-F520 VanDerWaalsContact CD1-CZ 3.48Å; F503-F520 HydrophobicContact CD2-CZ 4.5Å; F503-F520 AromaticContact CE1-CE2 3.96Å; F503-F520 HydrophobicContact CE1-CE2 3.96Å; F503-F520 HydrophobicContact CE1-CZ 4.06Å; F503-F520 HydrophobicContact CG-CE2 4.34Å; F503-F520 AromaticContact CG-CZ 3.73Å; F503-F520 HydrophobicContact CG-CZ 3.73Å; F503-L524 HydrophobicContact CD2-CD2 4.02Å; F503-L524 HydrophobicContact CE1-CD2 4.31Å; F503-L524 HydrophobicContact CE2-CD1 4.29Å; F503-L524 HydrophobicContact CE2-CD2 3.68Å; F503-L524 HydrophobicContact CG-CD2 4.47Å; F503-L524 HydrophobicContact CZ-CD1 3.93Å; F503-L524 HydrophobicContact CZ-CD2 3.84Å; F503-V539 HydrophobicContact CD2-CG2 4.23Å; F503-V539 HydrophobicContact CE2-CG2 3.97Å; F503-G540 PolarHBondContact N-O 3Å; F503-G540 VanDerWaalsContact N-O 3.07Å; F503-F541 HydrophobicContact CB-CD1 3.89Å; F503-F541 HydrophobicContact CB-CE1 4.14Å; F503-F541 HydrophobicContact CD2-CD1 4.05Å; F503-F541 AromaticContact CD2-CE1 3.54Å; F503-F541 HydrophobicContact CD2-CE1 3.54Å; F503-F541 HydrophobicContact CD2-CZ 4.02Å; F503-F541 HydrophobicContact CE2-CE1 4.3Å; F503-F541 HydrophobicContact CE2-CZ 4.46Å; F503-F541 HydrophobicContact CG-CD1 4.35Å; F503-F541 HydrophobicContact CG-CE1 4.11Å; F503-F541 WeakPolarHBondContact O-CA 3.37Å; F503-I542 PolarHBondContact O-N 3.2Å; F503-F632 HydrophobicContact CD1-CE2 4.26Å; F503-L735 HydrophobicContact CE1-CD2 4Å; F503-L735 HydrophobicContact CZ-CD2 4.01Å
504	V	98.9	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	107.9	-175.8	-171.2	0	0	0	0	107.6	L502 I542 F544 A614 A618 M629 S630 V631 F632	L502-V504 HydrophobicContact CG-CG2 4.1Å; V504-I542 WeakPolarHBondContact CA-O 3.22Å; V504-I542 HydrophobicContact CG1-CB 4.41Å; V504-I542 HydrophobicContact CG1-CG2 4.26Å; V504-F544 HydrophobicContact CG1-CD1 3.9Å; V504-F544 HydrophobicContact CG1-CE1 3.77Å; V504-A614 HydrophobicContact CG1-CB 4.04Å; V504-A618 HydrophobicContact CG2-CB 3.79Å; V504-M629 HydrophobicContact CG2-CG 3.8Å; V504-M629 HydrophobicContact CG2-SD 4.31Å; V504-S630 PolarHBondContact N-O 2.93Å; V504-V631 HydrophobicContact CB-CG2 4.36Å; V504-V631 WeakPolarHBondContact O-CA 3.21Å; V504-F632 PolarHBondContact O-N 3.31Å
505	L	98.9	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.6	-162.8	-47.2	176.2	0	0	0	112.2	F503 V507 L517 F520 I542 T543 F544 L597 F632	F503-L505 HydrophobicContact CB-CD2 4.29Å; L505-V507 PolarHBondContact O-N 3.43Å; L505-L517 HydrophobicContact CD1-CD1 3.84Å; L505-F520 HydrophobicContact CD1-CD1 4Å; L505-F520 HydrophobicContact CD1-CE1 3.63Å; L505-F520 HydrophobicContact CD1-CZ 4.41Å; L505-F520 HydrophobicContact CD2-CD1 4.14Å; L505-F520 HydrophobicContact CD2-CE1 3.85Å; L505-F520 HydrophobicContact CD2-CE2 4.33Å; L505-F520 HydrophobicContact CD2-CZ 3.95Å; L505-F520 HydrophobicContact CG-CE1 4.39Å; L505-I542 PolarHBondContact N-O 2.97Å; L505-T543 HydrophobicContact CB-CG2 3.97Å; L505-T543 HydrophobicContact CD1-CG2 4.15Å; L505-T543 HydrophobicContact CG-CG2 4.42Å; L505-T543 CarbonylContact O-C 3.54Å; L505-T543 VanDerWaalsContact O-CA 3.22Å; L505-T543 WeakPolarHBondContact O-CA 3.39Å; L505-F544 VanDerWaalsContact O-CD1 3.29Å; L505-F544 WeakPolarHBondContact O-CD1 3.39Å; L505-F544 WeakPolarHBondContact O-CE1 3.3Å; L505-F544 PolarHBondContact O-N 2.73Å; L505-L597 HydrophobicContact CD1-CD1 4.46Å; L505-F632 HydrophobicContact CD2-CB 4.12Å; L505-F632 HydrophobicContact CD2-CD2 3.45Å; L505-F632 VanDerWaalsContact CD2-CD2 3.45Å; L505-F632 HydrophobicContact CD2-CE2 4.11Å; L505-F632 HydrophobicContact CD2-CG 3.93Å
506	D	98.8	Very high	97.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	120.3	167.3	177.5	11.9	0	0	0	109.1	S508 A511 Y516 F544 F632 T634	D506-S508 WeakPolarHBondContact OD1-CB 3.32Å; D506-S508 PolarHBondContact OD1-N 2.91Å; D506-S508 PolarHBondContact OD1-OG 3.4Å; D506-A511 HydrophobicContact CB-CB 4.14Å; D506-A511 WeakPolarHBondContact O-CB 3.46Å; D506-Y516 PolarHBondContact N-OH 3.19Å; D506-Y516 WeakPolarHBondContact O-CE1 3.47Å; D506-Y516 PolarHBondContact O-OH 3.2Å; D506-F544 HydrophobicContact CB-CE1 4.29Å; D506-F544 HydrophobicContact CB-CE2 4.21Å; D506-F544 HydrophobicContact CB-CZ 3.78Å; D506-F544 VanDerWaalsContact N-CE1 3.26Å; D506-F632 WeakPolarHBondContact CB-O 3.44Å; D506-F632 PolarHBondContact N-O 2.9Å; D506-T634 WeakPolarHBondContact OD2-CB 3.43Å; D506-T634 PolarHBondContact OD2-N 2.97Å; D506-T634 PolarHBondContact OD2-OG1 2.88Å
507	V	98.6	Very high	97.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.			trans	-121.9	19.3	178.8	-64.8	0	0	0	0	112.6	L505 L517 T543 F544 D545 F601	L505-V507 PolarHBondContact O-N 3.43Å; V507-L517 HydrophobicContact CG1-CD2 4.11Å; V507-T543 HydrophobicContact CG1-CG2 3.84Å; V507-F544 WeakPolarHBondContact CG2-O 3.36Å; V507-F544 PolarHBondContact N-O 3.1Å; V507-D545 HydrophobicContact CG2-CB 4.39Å; V507-F601 HydrophobicContact CB-CB 4.39Å; V507-F601 HydrophobicContact CB-CD1 3.98Å; V507-F601 HydrophobicContact CB-CD2 3.97Å; V507-F601 HydrophobicContact CB-CE1 4.25Å; V507-F601 HydrophobicContact CB-CE2 4.23Å; V507-F601 HydrophobicContact CB-CG 3.85Å; V507-F601 HydrophobicContact CB-CZ 4.37Å; V507-F601 HydrophobicContact CG1-CD2 3.81Å; V507-F601 HydrophobicContact CG1-CE2 3.95Å; V507-F601 HydrophobicContact CG1-CG 4.21Å; V507-F601 HydrophobicContact CG1-CZ 4.45Å; V507-F601 HydrophobicContact CG2-CD1 3.88Å; V507-F601 HydrophobicContact CG2-CD2 4.37Å; V507-F601 HydrophobicContact CG2-CE1 3.7Å; V507-F601 HydrophobicContact CG2-CE2 4.21Å; V507-F601 HydrophobicContact CG2-CG 4.22Å; V507-F601 HydrophobicContact CG2-CZ 3.87Å
508	S	98.2	Very high	97.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-60.1	161.2	168.6	65.4	0	0	0	0	112.1	D506 N510 A511 V512 E606 Q608 Q635	D506-S508 WeakPolarHBondContact OD1-CB 3.32Å; D506-S508 PolarHBondContact OD1-N 2.91Å; D506-S508 PolarHBondContact OD1-OG 3.4Å; S508-N510 VanDerWaalsContact C-N 3.25Å; S508-N510 PolarHBondContact O-N 3.26Å; S508-A511 WeakPolarHBondContact O-CA 3.36Å; S508-A511 WeakPolarHBondContact O-CB 3.37Å; S508-A511 PolarHBondContact O-N 3.31Å; S508-V512 PolarHBondContact O-N 2.88Å; S508-E606 CarbonylContact C-O 3.58Å; S508-E606 VanDerWaalsContact CA-O 3.29Å; S508-E606 WeakPolarHBondContact CA-O 3.49Å; S508-E606 WeakPolarHBondContact CB-O 3.39Å; S508-Q608 VanDerWaalsContact CB-O 3.27Å; S508-Q608 WeakPolarHBondContact CB-O 3.46Å; S508-Q635 PolarHBondContact OG-NE2 3.31Å
509	H	97.8	Very high	98	Very high	75 Å²	75	19 Å²	19	35%	0.347	11%	0.105	S	C	.	.	H	α-helix	trans	-52.2	-41.4	179.8	178.6	-39.7	0	0	0	112.5	A511 V512 E513 T604 E606	H509-A511 VanDerWaalsContact C-N 3.26Å; H509-A511 PolarHBondContact O-N 2.75Å; H509-V512 PolarHBondContact O-N 3.03Å; H509-E513 WeakPolarHBondContact O-CB 3.17Å; H509-E513 PolarHBondContact O-N 2.85Å; H509-T604 HydrophobicContact CB-CG2 4.33Å; H509-E606 PolarHBondContact N-O 3.2Å
510	N	96.8	Very high	98	Very high	61 Å²	61	18.9 Å²	18.9	33%	0.326	10%	0.104	S	C	.	.	H	α-helix	trans	-60.2	-40.3	175.6	177.9	89.7	0	0	0	111.1	S508 T514 T634 Q635	S508-N510 VanDerWaalsContact C-N 3.25Å; S508-N510 PolarHBondContact O-N 3.26Å; N510-T514 WeakPolarHBondContact O-CG2 3.27Å; N510-T514 PolarHBondContact O-N 3.27Å; N510-T634 WeakPolarHBondContact ND2-CB 3.12Å; N510-T634 PolarHBondContact ND2-O 2.85Å; N510-T634 PolarHBondContact ND2-OG1 2.61Å; N510-Q635 HydrophobicContact CB-CG 4.44Å
511	A	97.4	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.7	-46.1	-178.8	0	0	0	0	0	112	D506 S508 H509 T514 Y516 T634	D506-A511 HydrophobicContact CB-CB 4.14Å; D506-A511 WeakPolarHBondContact O-CB 3.46Å; S508-A511 WeakPolarHBondContact O-CA 3.36Å; S508-A511 WeakPolarHBondContact O-CB 3.37Å; S508-A511 PolarHBondContact O-N 3.31Å; H509-A511 VanDerWaalsContact C-N 3.26Å; H509-A511 PolarHBondContact O-N 2.75Å; A511-T514 PolarHBondContact O-N 3.1Å; A511-T514 PolarHBondContact O-OG1 3.31Å; A511-Y516 HydrophobicContact CB-CE1 3.89Å; A511-Y516 WeakPolarHBondContact O-CD1 3.4Å; A511-T634 VanDerWaalsContact CA-OG1 3.22Å; A511-T634 WeakPolarHBondContact CA-OG1 3.5Å; A511-T634 HydrophobicContact CB-CG2 3.64Å; A511-T634 VanDerWaalsContact CB-OG1 3.23Å; A511-T634 WeakPolarHBondContact CB-OG1 3.31Å; A511-T634 PolarHBondContact N-OG1 2.79Å
512	V	96.9	Very high	98	Very high	34 Å²	34	23.9 Å²	23.9	21%	0.206	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-46.9	176.7	176.3	0	0	0	0	111.3	S508 H509 T514 G515 F601 T604	S508-V512 PolarHBondContact O-N 2.88Å; H509-V512 PolarHBondContact O-N 3.03Å; V512-T514 VanDerWaalsContact C-N 3.29Å; V512-T514 PolarHBondContact O-N 3.29Å; V512-G515 WeakPolarHBondContact O-CA 3.4Å; V512-G515 PolarHBondContact O-N 2.98Å; V512-F601 HydrophobicContact CG2-CB 3.85Å; V512-T604 HydrophobicContact CB-CG2 4.26Å; V512-T604 HydrophobicContact CG2-CG2 3.72Å
513	E	96.2	Very high	97.9	Very high	113 Å²	113	24.2 Å²	24.2	53%	0.528	13%	0.13	S	C	.	.	H	α-helix	trans	-56.3	-39.2	-180	-178.3	63.7	-168.5	0	0	112.7	H509 G515 H717	H509-E513 WeakPolarHBondContact O-CB 3.17Å; H509-E513 PolarHBondContact O-N 2.85Å; E513-G515 PolarHBondContact O-N 3.49Å; E513-G515 VanDerWaalsContact O-N 3.09Å; E513-H717 PolarHBondContact O-CE1 3.35Å; E513-H717 PolarHBondContact O-ND1 3.41Å
514	T	96.9	Very high	97.9	Very high	11 Å²	11	24.3 Å²	24.3	7%	0.067	13%	0.131	C	C	.	.	H	α-helix	trans	-59.7	-25.1	176.3	70.7	0	0	0	0	113.4	N510 A511 V512 Y516 H717	N510-T514 WeakPolarHBondContact O-CG2 3.27Å; N510-T514 PolarHBondContact O-N 3.27Å; A511-T514 PolarHBondContact O-N 3.1Å; A511-T514 PolarHBondContact O-OG1 3.31Å; V512-T514 VanDerWaalsContact C-N 3.29Å; V512-T514 PolarHBondContact O-N 3.29Å; T514-Y516 VanDerWaalsContact C-N 3.3Å; T514-Y516 PolarHBondContact OG1-N 2.89Å; T514-H717 WeakPolarHBondContact O-CB 3.46Å; T514-H717 PolarHBondContact O-N 3.3Å; T514-H717 PolarHBondContact O-ND1 2.7Å
515	G	97	Very high	97.9	Very high	10 Å²	10	25.9 Å²	25.9	10%	0.103	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	8.8	-174.4	0	0	0	0	0	114.9	V512 E513 L517	V512-G515 WeakPolarHBondContact O-CA 3.4Å; V512-G515 PolarHBondContact O-N 2.98Å; E513-G515 PolarHBondContact O-N 3.49Å; E513-G515 VanDerWaalsContact O-N 3.09Å; G515-L517 VanDerWaalsContact C-N 3.28Å; G515-L517 PolarHBondContact O-N 3.26Å
516	Y	98.1	Very high	97.9	Very high	1 Å²	1	31 Å²	31	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-33.4	-175.6	94.5	-77.2	0	0	0	113	D506 A511 T514 S518 V519 F520 F632 T634 L688 Y715 F727	D506-Y516 PolarHBondContact N-OH 3.19Å; D506-Y516 WeakPolarHBondContact O-CE1 3.47Å; D506-Y516 PolarHBondContact O-OH 3.2Å; A511-Y516 HydrophobicContact CB-CE1 3.89Å; A511-Y516 WeakPolarHBondContact O-CD1 3.4Å; T514-Y516 VanDerWaalsContact C-N 3.3Å; T514-Y516 PolarHBondContact OG1-N 2.89Å; Y516-S518 PolarHBondContact O-N 3.4Å; Y516-V519 WeakPolarHBondContact O-CB 3.36Å; Y516-V519 PolarHBondContact O-N 3.05Å; Y516-V519 VanDerWaalsContact O-N 3.1Å; Y516-F520 HydrophobicContact CD2-CB 4.47Å; Y516-F520 WeakPolarHBondContact O-CB 3.39Å; Y516-F520 PolarHBondContact O-N 3.14Å; Y516-F632 HydrophobicContact CD2-CB 4.5Å; Y516-F632 HydrophobicContact CD2-CD1 4.27Å; Y516-F632 HydrophobicContact CE2-CB 3.56Å; Y516-F632 AromaticContact CE2-CD1 3.96Å; Y516-F632 HydrophobicContact CE2-CD1 3.96Å; Y516-F632 HydrophobicContact CE2-CG 4.01Å; Y516-T634 HydrophobicContact CD1-CG2 3.87Å; Y516-T634 HydrophobicContact CE1-CG2 3.84Å; Y516-L688 HydrophobicContact CD2-CD1 4.16Å; Y516-L688 HydrophobicContact CD2-CD2 4.4Å; Y516-L688 HydrophobicContact CG-CD2 4.41Å; Y516-Y715 VanDerWaalsContact CB-CE1 3.44Å; Y516-F727 HydrophobicContact CD2-CZ 4.39Å
517	L	98.2	Very high	97.8	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.037	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-45.2	-175.1	-179.2	60.5	0	0	0	111.4	L505 V507 G515 V519 F520 C521 P598 F601	L505-L517 HydrophobicContact CD1-CD1 3.84Å; V507-L517 HydrophobicContact CG1-CD2 4.11Å; G515-L517 VanDerWaalsContact C-N 3.28Å; G515-L517 PolarHBondContact O-N 3.26Å; L517-V519 VanDerWaalsContact C-N 3.29Å; L517-V519 PolarHBondContact O-N 3.45Å; L517-F520 HydrophobicContact CD1-CD1 4.48Å; L517-F520 PolarHBondContact O-N 3.21Å; L517-C521 WeakPolarHBondContact O-CB 3.44Å; L517-C521 PolarHBondContact O-N 2.98Å; L517-C521 PolarHBondContact O-SG 3.23Å; L517-C521 VanDerWaalsContact O-SG 3.32Å; L517-P598 HydrophobicContact CG-CG 4.45Å; L517-F601 HydrophobicContact CD2-CD2 4.36Å
518	S	97.7	Very high	97.7	Very high	66 Å²	66	31.9 Å²	31.9	46%	0.462	17%	0.171	S	C	.	.	H	α-helix	trans	-59.5	-40.6	174.9	-49.2	0	0	0	0	112.1	Y516 Q522	Y516-S518 PolarHBondContact O-N 3.4Å; S518-Q522 WeakPolarHBondContact O-CB 3.39Å; S518-Q522 PolarHBondContact O-N 3.18Å
519	V	97.9	Very high	97.6	Very high	18 Å²	18	36.2 Å²	36.2	11%	0.109	20%	0.201	C	C	.	.	H	α-helix	trans	-71.3	-39.6	179.9	-179.7	0	0	0	0	111.5	Y516 L517 S523 V724 F727 Q728	Y516-V519 WeakPolarHBondContact O-CB 3.36Å; Y516-V519 PolarHBondContact O-N 3.05Å; Y516-V519 VanDerWaalsContact O-N 3.1Å; L517-V519 VanDerWaalsContact C-N 3.29Å; L517-V519 PolarHBondContact O-N 3.45Å; V519-S523 WeakPolarHBondContact O-CB 3.31Å; V519-S523 PolarHBondContact O-N 3.38Å; V519-V724 HydrophobicContact CG1-CG1 4.31Å; V519-V724 HydrophobicContact CG2-CG1 4.1Å; V519-F727 HydrophobicContact CB-CD1 4.39Å; V519-F727 HydrophobicContact CB-CE1 4.3Å; V519-F727 HydrophobicContact CG1-CD1 3.75Å; V519-F727 HydrophobicContact CG1-CE1 4.02Å; V519-Q728 HydrophobicContact CG1-CG 3.37Å
520	F	98.6	Very high	97.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-51.2	172.2	165.7	-94.2	0	0	0	111.2	F503 L505 Y516 L517 Q522 S523 L524 L594 F632 F727 L731	F503-F520 HydrophobicContact CB-CZ 3.98Å; F503-F520 AromaticContact CD1-CE2 3.61Å; F503-F520 HydrophobicContact CD1-CE2 3.61Å; F503-F520 AromaticContact CD1-CZ 3.48Å; F503-F520 HydrophobicContact CD1-CZ 3.48Å; F503-F520 VanDerWaalsContact CD1-CZ 3.48Å; F503-F520 HydrophobicContact CD2-CZ 4.5Å; F503-F520 AromaticContact CE1-CE2 3.96Å; F503-F520 HydrophobicContact CE1-CE2 3.96Å; F503-F520 HydrophobicContact CE1-CZ 4.06Å; F503-F520 HydrophobicContact CG-CE2 4.34Å; F503-F520 AromaticContact CG-CZ 3.73Å; F503-F520 HydrophobicContact CG-CZ 3.73Å; L505-F520 HydrophobicContact CD1-CD1 4Å; L505-F520 HydrophobicContact CD1-CE1 3.63Å; L505-F520 HydrophobicContact CD1-CZ 4.41Å; L505-F520 HydrophobicContact CD2-CD1 4.14Å; L505-F520 HydrophobicContact CD2-CE1 3.85Å; L505-F520 HydrophobicContact CD2-CE2 4.33Å; L505-F520 HydrophobicContact CD2-CZ 3.95Å; L505-F520 HydrophobicContact CG-CE1 4.39Å; Y516-F520 HydrophobicContact CD2-CB 4.47Å; Y516-F520 WeakPolarHBondContact O-CB 3.39Å; Y516-F520 PolarHBondContact O-N 3.14Å; L517-F520 HydrophobicContact CD1-CD1 4.48Å; L517-F520 PolarHBondContact O-N 3.21Å; F520-Q522 PolarHBondContact O-N 3.26Å; F520-S523 PolarHBondContact O-N 3.02Å; F520-L524 HydrophobicContact CE1-CD2 4.15Å; F520-L524 HydrophobicContact CE2-CD2 4.4Å; F520-L524 HydrophobicContact CZ-CD2 3.68Å; F520-L524 WeakPolarHBondContact O-CB 3.36Å; F520-L524 PolarHBondContact O-N 2.88Å; F520-L594 HydrophobicContact CE1-CD2 4.39Å; F520-F632 HydrophobicContact CD2-CD1 4.4Å; F520-F632 AromaticContact CD2-CE1 3.77Å; F520-F632 HydrophobicContact CD2-CE1 3.77Å; F520-F632 HydrophobicContact CD2-CE2 4Å; F520-F632 AromaticContact CD2-CZ 3.54Å; F520-F632 HydrophobicContact CD2-CZ 3.54Å; F520-F632 HydrophobicContact CE2-CD2 4.48Å; F520-F632 HydrophobicContact CE2-CE1 4.28Å; F520-F632 AromaticContact CE2-CE2 3.7Å; F520-F632 HydrophobicContact CE2-CE2 3.7Å; F520-F632 AromaticContact CE2-CZ 3.58Å; F520-F632 HydrophobicContact CE2-CZ 3.58Å; F520-F727 HydrophobicContact CB-CE1 4.42Å; F520-F727 HydrophobicContact CB-CZ 4.36Å; F520-L731 HydrophobicContact CD2-CD2 3.97Å
521	C	98.6	Very high	97.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-45.3	-178.8	-74.3	0	0	0	0	111.9	L517 L524 L525 L594 P598	L517-C521 WeakPolarHBondContact O-CB 3.44Å; L517-C521 PolarHBondContact O-N 2.98Å; L517-C521 PolarHBondContact O-SG 3.23Å; L517-C521 VanDerWaalsContact O-SG 3.32Å; C521-L524 PolarHBondContact O-N 3.41Å; C521-L525 WeakPolarHBondContact O-CB 3.42Å; C521-L525 VanDerWaalsContact O-CG 3.3Å; C521-L525 WeakPolarHBondContact O-CG 3.47Å; C521-L525 PolarHBondContact O-N 2.57Å; C521-L594 HydrophobicContact CB-CD2 4.39Å; C521-L594 WeakPolarHBondContact CB-O 3.28Å; C521-P598 HydrophobicContact CB-CG 4.13Å
522	Q	98.4	Very high	97.6	Very high	104 Å²	104	33.8 Å²	33.8	49%	0.486	20%	0.199	S	C	.	.	H	α-helix	trans	-64.1	-47.2	175.4	-172.2	62.5	52.6	0	0	111.8	S518 F520 L524 L525 D526	S518-Q522 WeakPolarHBondContact O-CB 3.39Å; S518-Q522 PolarHBondContact O-N 3.18Å; F520-Q522 PolarHBondContact O-N 3.26Å; Q522-L524 VanDerWaalsContact C-N 3.27Å; Q522-L524 PolarHBondContact O-N 2.76Å; Q522-L525 WeakPolarHBondContact O-CB 3.06Å; Q522-L525 PolarHBondContact O-N 2.95Å; Q522-L525 VanDerWaalsContact O-N 3.14Å; Q522-D526 PolarHBondContact NE2-OD1 3.26Å; Q522-D526 PolarHBondContact O-N 2.92Å
523	S	98	Very high	97.6	Very high	7 Å²	7	32.7 Å²	32.7	5%	0.049	19%	0.194	C	C	.	.	H	α-helix	trans	-61.7	-35.6	179.5	-171.2	0	0	0	0	112.3	V519 F520 N527	V519-S523 WeakPolarHBondContact O-CB 3.31Å; V519-S523 PolarHBondContact O-N 3.38Å; F520-S523 PolarHBondContact O-N 3.02Å; S523-N527 WeakPolarHBondContact O-CB 3.35Å; S523-N527 PolarHBondContact O-N 3.45Å; S523-N527 PolarHBondContact O-ND2 2.83Å
524	L	98.5	Very high	97.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-71.8	-41.9	173.7	-175	54	0	0	0	111.8	F503 F520 C521 Q522 D526 N527 I528 L531 F541 L594 L735	F503-L524 HydrophobicContact CD2-CD2 4.02Å; F503-L524 HydrophobicContact CE1-CD2 4.31Å; F503-L524 HydrophobicContact CE2-CD1 4.29Å; F503-L524 HydrophobicContact CE2-CD2 3.68Å; F503-L524 HydrophobicContact CG-CD2 4.47Å; F503-L524 HydrophobicContact CZ-CD1 3.93Å; F503-L524 HydrophobicContact CZ-CD2 3.84Å; F520-L524 HydrophobicContact CE1-CD2 4.15Å; F520-L524 HydrophobicContact CE2-CD2 4.4Å; F520-L524 HydrophobicContact CZ-CD2 3.68Å; F520-L524 WeakPolarHBondContact O-CB 3.36Å; F520-L524 PolarHBondContact O-N 2.88Å; C521-L524 PolarHBondContact O-N 3.41Å; Q522-L524 VanDerWaalsContact C-N 3.27Å; Q522-L524 PolarHBondContact O-N 2.76Å; L524-D526 VanDerWaalsContact C-N 3.35Å; L524-D526 PolarHBondContact O-N 2.8Å; L524-N527 CarbonylContact O-C 3.47Å; L524-N527 PolarHBondContact O-N 3.3Å; L524-I528 WeakPolarHBondContact O-CA 3.42Å; L524-I528 VanDerWaalsContact O-CB 3.28Å; L524-I528 WeakPolarHBondContact O-CB 3.46Å; L524-I528 PolarHBondContact O-N 3.35Å; L524-L531 HydrophobicContact CD1-CD1 4.28Å; L524-L531 HydrophobicContact CD1-CD2 4.36Å; L524-F541 HydrophobicContact CD2-CE1 3.76Å; L524-F541 HydrophobicContact CD2-CZ 4Å; L524-L594 HydrophobicContact CB-CD1 4.32Å; L524-L594 HydrophobicContact CD2-CD1 4Å; L524-L594 HydrophobicContact CD2-CD2 3.88Å; L524-L594 HydrophobicContact CG-CD1 3.88Å; L524-L594 HydrophobicContact CG-CD2 4.45Å; L524-L735 HydrophobicContact CB-CD1 4.4Å; L524-L735 HydrophobicContact CD1-CD1 3.94Å; L524-L735 HydrophobicContact CD1-CD2 4.12Å
525	L	98.4	Very high	97.6	Very high	32 Å²	32	32.4 Å²	32.4	17%	0.168	20%	0.203	C	C	.	.	H	α-helix	trans	-56.2	-46.8	172.8	-77.7	169	0	0	0	112	C521 Q522 N527 I528 Q591 L594 K595	C521-L525 WeakPolarHBondContact O-CB 3.42Å; C521-L525 VanDerWaalsContact O-CG 3.3Å; C521-L525 WeakPolarHBondContact O-CG 3.47Å; C521-L525 PolarHBondContact O-N 2.57Å; Q522-L525 WeakPolarHBondContact O-CB 3.06Å; Q522-L525 PolarHBondContact O-N 2.95Å; Q522-L525 VanDerWaalsContact O-N 3.14Å; L525-N527 VanDerWaalsContact C-N 3.27Å; L525-N527 PolarHBondContact O-N 2.85Å; L525-I528 WeakPolarHBondContact O-CG2 3.49Å; L525-Q591 HydrophobicContact CD2-CB 3.9Å; L525-Q591 HydrophobicContact CD2-CG 3.81Å; L525-L594 HydrophobicContact CD1-CB 4.12Å; L525-L594 HydrophobicContact CD2-CB 3.83Å; L525-L594 HydrophobicContact CD2-CD1 4Å; L525-L594 HydrophobicContact CG-CB 3.77Å; L525-L594 HydrophobicContact CG-CD1 4.1Å; L525-K595 HydrophobicContact CD1-CG 4.29Å
526	D	98.3	Very high	97.6	Very high	107 Å²	107	36.3 Å²	36.3	57%	0.572	22%	0.215	S	C	*	.	H	α-helix	trans	-62.1	-33.3	179.9	-64.8	-18.8	0	0	0	112.7	Q522 L524	Q522-D526 PolarHBondContact NE2-OD1 3.26Å; Q522-D526 PolarHBondContact O-N 2.92Å; L524-D526 VanDerWaalsContact C-N 3.35Å; L524-D526 PolarHBondContact O-N 2.8Å
527	N	98	Very high	97.6	Very high	13 Å²	13	36.5 Å²	36.5	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-112.7	4.7	-172	-61.5	-85.5	0	0	0	113.8	S523 L524 L525 S529 A530 L531 L735 T736	S523-N527 WeakPolarHBondContact O-CB 3.35Å; S523-N527 PolarHBondContact O-N 3.45Å; S523-N527 PolarHBondContact O-ND2 2.83Å; L524-N527 CarbonylContact O-C 3.47Å; L524-N527 PolarHBondContact O-N 3.3Å; L525-N527 VanDerWaalsContact C-N 3.27Å; L525-N527 PolarHBondContact O-N 2.85Å; N527-S529 PolarHBondContact O-N 2.86Å; N527-A530 CarbonylContact O-C 3.52Å; N527-A530 WeakPolarHBondContact O-CA 3.35Å; N527-A530 WeakPolarHBondContact O-CB 3.05Å; N527-A530 PolarHBondContact O-N 3.2Å; N527-L531 PolarHBondContact O-N 2.97Å; N527-L735 HydrophobicContact CB-CB 4.43Å; N527-L735 HydrophobicContact CB-CD1 4.22Å; N527-T736 HydrophobicContact CB-CG2 4.13Å
528	I	96.6	Very high	97.6	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.031	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-57.3	-36.4	-175.1	-166.2	169.7	0	0	0	112.8	L524 L525 A530 L583 V590 Q591 L594	L524-I528 WeakPolarHBondContact O-CA 3.42Å; L524-I528 VanDerWaalsContact O-CB 3.28Å; L524-I528 WeakPolarHBondContact O-CB 3.46Å; L524-I528 PolarHBondContact O-N 3.35Å; L525-I528 WeakPolarHBondContact O-CG2 3.49Å; I528-A530 VanDerWaalsContact C-N 3.29Å; I528-A530 PolarHBondContact O-N 3.36Å; I528-L583 HydrophobicContact CD1-CD1 3.9Å; I528-L583 HydrophobicContact CG1-CD1 3.78Å; I528-V590 HydrophobicContact CD1-CB 4.39Å; I528-V590 HydrophobicContact CD1-CG1 3.63Å; I528-Q591 HydrophobicContact CD1-CG 4.23Å; I528-L594 HydrophobicContact CD1-CD1 4.46Å
529	S	95.5	Very high	97.6	Very high	91 Å²	91	36.3 Å²	36.3	64%	0.636	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-83.4	-4.6	178.9	-48.5	0	0	0	0	113.3	N527 K587	N527-S529 PolarHBondContact O-N 2.86Å; S529-K587 PolarHBondContact OG-NZ 2.97Å
530	A	97.2	Very high	97.6	Very high	52 Å²	52	35.5 Å²	35.5	43%	0.43	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-110	5.8	179.6	0	0	0	0	0	112.8	N527 I528 T736	N527-A530 CarbonylContact O-C 3.52Å; N527-A530 WeakPolarHBondContact O-CA 3.35Å; N527-A530 WeakPolarHBondContact O-CB 3.05Å; N527-A530 PolarHBondContact O-N 3.2Å; I528-A530 VanDerWaalsContact C-N 3.29Å; I528-A530 PolarHBondContact O-N 3.36Å; A530-T736 HydrophobicContact CB-CG2 3.82Å
531	L	97.6	Very high	97.6	Very high	15 Å²	15	35.6 Å²	35.6	8%	0.079	20%	0.202	C	C	.	.	S	Bend	trans	-62.4	130.4	171.9	-64.9	178.1	0	0	0	110.2	Y501 L524 N527 G533 L583 L735	Y501-L531 HydrophobicContact CD2-CD1 4.42Å; Y501-L531 HydrophobicContact CE2-CB 4.18Å; L524-L531 HydrophobicContact CD1-CD1 4.28Å; L524-L531 HydrophobicContact CD1-CD2 4.36Å; N527-L531 PolarHBondContact O-N 2.97Å; L531-G533 PolarHBondContact O-N 3.42Å; L531-L583 HydrophobicContact CB-CD2 4.49Å; L531-L583 HydrophobicContact CD1-CD2 3.84Å; L531-L735 HydrophobicContact CD2-CB 3.94Å; L531-L735 HydrophobicContact CD2-CD2 3.95Å; L531-L735 HydrophobicContact CD2-CG 4.43Å
532	P	97.8	Very high	97.6	Very high	18 Å²	18	35.5 Å²	35.5	12%	0.117	20%	0.202	C	C	.	.	S	Bend	trans	-62.8	105.9	179.3	-19.3	26.1	0	0	0	112.2	A499 Y501 L735 R737 I739 S808	A499-P532 WeakPolarHBondContact CB-O 3.41Å; Y501-P532 PolarHBondContact OH-O 3.38Å; P532-L735 WeakPolarHBondContact CD-O 3.42Å; P532-R737 WeakPolarHBondContact CG-O 3.5Å; P532-I739 HydrophobicContact CB-CG2 4.06Å; P532-I739 HydrophobicContact CG-CG2 4.33Å; P532-S808 VanDerWaalsContact O-CB 3.3Å; P532-S808 WeakPolarHBondContact O-CB 3.36Å
533	G	96.6	Very high	97.6	Very high	11 Å²	11	30.6 Å²	30.6	11%	0.113	18%	0.179	C	C	.	.			trans	-164.5	173.8	-176.7	0	0	0	0	0	114.9	L531 T537 S808 K809	L531-G533 PolarHBondContact O-N 3.42Å; G533-T537 WeakPolarHBondContact CA-OG1 3.46Å; G533-S808 CarbonylContact C-O 3.48Å; G533-S808 WeakPolarHBondContact CA-O 3.2Å; G533-K809 WeakPolarHBondContact O-CD 3.47Å; G533-K809 WeakPolarHBondContact O-CE 3.24Å; G533-K809 PolarHBondContact O-NZ 2.81Å
534	D	95.4	Very high	97.7	Very high	29 Å²	29	30.2 Å²	30.2	16%	0.155	18%	0.176	C	C	.	.			trans	-113.5	-168.3	168.4	63.5	41.1	0	0	0	111	R536 T537 N584 S808 K809	D534-R536 PolarHBondContact O-N 3.46Å; D534-R536 VanDerWaalsContact O-N 3.13Å; D534-R536 WeakPolarHBondContact OD1-CA 3.08Å; D534-R536 WeakPolarHBondContact OD1-CB 3.49Å; D534-R536 WeakPolarHBondContact OD1-CG 3.49Å; D534-R536 IonicContact OD1-CZ 2.71Å; D534-R536 PolarHBondContact OD1-N 3.03Å; D534-R536 IonicContact OD1-NE 2.64Å; D534-R536 PolarHBondContact OD1-NE 2.67Å; D534-R536 VanDerWaalsContact OD1-NE 3.1Å; D534-R536 IonicContact OD1-NH2 3.33Å; D534-R536 IonicContact OD2-CZ 3.29Å; D534-R536 IonicContact OD2-NE 3.53Å; D534-R536 PolarHBondContact OD2-NE 3.3Å; D534-R536 VanDerWaalsContact OD2-NE 3.1Å; D534-R536 IonicContact OD2-NH2 2.99Å; D534-R536 PolarHBondContact OD2-NH2 3.39Å; D534-T537 PolarHBondContact N-OG1 3.19Å; D534-T537 WeakPolarHBondContact O-CB 3.46Å; D534-T537 PolarHBondContact O-N 2.84Å; D534-T537 PolarHBondContact O-OG1 2.92Å; D534-N584 PolarHBondContact O-ND2 3.04Å; D534-S808 PolarHBondContact N-O 3.44Å; D534-K809 HydrophobicContact CB-CD 4.26Å
535	S	96.6	Very high	97.6	Very high	90 Å²	90	30.5 Å²	30.5	63%	0.629	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.8	179.7	50.7	0	0	0	0	114.4	N582 N584	S535-N582 PolarHBondContact O-ND2 3.01Å; S535-N582 PolarHBondContact O-OD1 2.97Å; S535-N584 PolarHBondContact O-ND2 3.25Å
536	R	97.1	Very high	97.6	Very high	92 Å²	92	30.4 Å²	30.4	35%	0.347	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	2.8	-179.4	-45.3	170.2	-63.8	146.7	5.2	113.1	P496 Q497 P498 D534 K538 G810	P496-R536 PolarHBondContact O-NH1 3.05Å; Q497-R536 PolarHBondContact O-NH2 3.35Å; P498-R536 HydrophobicContact CB-CB 3.83Å; P498-R536 WeakPolarHBondContact CB-O 3.39Å; D534-R536 PolarHBondContact O-N 3.46Å; D534-R536 VanDerWaalsContact O-N 3.13Å; D534-R536 WeakPolarHBondContact OD1-CA 3.08Å; D534-R536 WeakPolarHBondContact OD1-CB 3.49Å; D534-R536 WeakPolarHBondContact OD1-CG 3.49Å; D534-R536 IonicContact OD1-CZ 2.71Å; D534-R536 PolarHBondContact OD1-N 3.03Å; D534-R536 IonicContact OD1-NE 2.64Å; D534-R536 PolarHBondContact OD1-NE 2.67Å; D534-R536 VanDerWaalsContact OD1-NE 3.1Å; D534-R536 IonicContact OD1-NH2 3.33Å; D534-R536 IonicContact OD2-CZ 3.29Å; D534-R536 IonicContact OD2-NE 3.53Å; D534-R536 PolarHBondContact OD2-NE 3.3Å; D534-R536 VanDerWaalsContact OD2-NE 3.1Å; D534-R536 IonicContact OD2-NH2 2.99Å; D534-R536 PolarHBondContact OD2-NH2 3.39Å; R536-K538 PolarHBondContact O-N 3.3Å; R536-G810 VanDerWaalsContact NH2-CA 3.27Å
537	T	98.1	Very high	97.6	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.025	16%	0.16	C	C	.	.			trans	-58.9	126.6	-173.2	-58.6	0	0	0	0	111.2	A499 Y501 G533 D534 N582 L583	A499-T537 HydrophobicContact CB-CG2 4.19Å; A499-T537 CarbonylContact O-C 3.58Å; A499-T537 WeakPolarHBondContact O-CA 3.37Å; Y501-T537 HydrophobicContact CD2-CG2 4.23Å; Y501-T537 HydrophobicContact CE2-CG2 4.22Å; G533-T537 WeakPolarHBondContact CA-OG1 3.46Å; D534-T537 PolarHBondContact N-OG1 3.19Å; D534-T537 WeakPolarHBondContact O-CB 3.46Å; D534-T537 PolarHBondContact O-N 2.84Å; D534-T537 PolarHBondContact O-OG1 2.92Å; T537-N582 WeakPolarHBondContact O-CA 3.41Å; T537-N582 PolarHBondContact O-OD1 2.89Å; T537-L583 HydrophobicContact CG2-CB 4.29Å; T537-L583 HydrophobicContact CG2-CD2 3.99Å; T537-L583 WeakPolarHBondContact O-CB 3.46Å; T537-L583 PolarHBondContact O-N 2.88Å
538	K	97.8	Very high	97.6	Very high	68 Å²	68	26 Å²	26	30%	0.296	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.6	179.4	-74.2	-174.7	164.2	-130.4	0	112.5	A499 V500 Y501 R536 L580 V581	A499-K538 PolarHBondContact O-N 2.65Å; V500-K538 WeakPolarHBondContact CA-O 3.2Å; V500-K538 HydrophobicContact CG1-CB 4.15Å; V500-K538 HydrophobicContact CG2-CB 4.27Å; Y501-K538 PolarHBondContact N-O 3Å; R536-K538 PolarHBondContact O-N 3.3Å; K538-L580 HydrophobicContact CD-CB 4.38Å; K538-L580 VanDerWaalsContact CD-O 3.31Å; K538-L580 WeakPolarHBondContact CD-O 3.42Å; K538-L580 WeakPolarHBondContact CE-O 3.33Å; K538-L580 PolarHBondContact NZ-O 2.72Å; K538-V581 CarbonylContact C-O 3.54Å; K538-V581 WeakPolarHBondContact CA-O 3.42Å
539	V	98.3	Very high	97.7	Very high	2 Å²	2	26 Å²	26	1%	0.012	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.5	173.3	71.9	0	0	0	0	110.7	Y501 F503 F541 V581 L583 V590	Y501-V539 CarbonylContact O-C 3.54Å; Y501-V539 VanDerWaalsContact O-CA 3.28Å; Y501-V539 WeakPolarHBondContact O-CA 3.15Å; F503-V539 HydrophobicContact CD2-CG2 4.23Å; F503-V539 HydrophobicContact CE2-CG2 3.97Å; V539-F541 HydrophobicContact CG1-CE2 4.31Å; V539-F541 HydrophobicContact CG2-CE2 3.69Å; V539-F541 HydrophobicContact CG2-CZ 3.81Å; V539-V581 HydrophobicContact CG1-CG2 4.32Å; V539-V581 PolarHBondContact N-O 3.39Å; V539-V581 PolarHBondContact O-N 3.01Å; V539-L583 HydrophobicContact CB-CD1 4.3Å; V539-L583 HydrophobicContact CG1-CB 4.34Å; V539-L583 HydrophobicContact CG1-CD1 3.86Å; V539-V590 HydrophobicContact CG1-CG1 4.42Å; V539-V590 HydrophobicContact CG1-CG2 3.67Å
540	G	98.3	Very high	97.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	163	170.3	0	0	0	0	0	111.8	Y501 L502 F503 L579	Y501-G540 PolarHBondContact O-N 3.28Å; L502-G540 VanDerWaalsContact CD1-C 3.46Å; L502-G540 WeakPolarHBondContact CD1-O 3.41Å; F503-G540 PolarHBondContact N-O 3Å; F503-G540 VanDerWaalsContact N-O 3.07Å; G540-L579 VanDerWaalsContact CA-O 3.29Å; G540-L579 WeakPolarHBondContact CA-O 3.42Å
541	F	98.7	Very high	97.9	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.013	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.6	-177.7	-61.7	-90.3	0	0	0	110.3	F503 L524 V539 Y551 L553 V590 L593 L594	F503-F541 HydrophobicContact CB-CD1 3.89Å; F503-F541 HydrophobicContact CB-CE1 4.14Å; F503-F541 HydrophobicContact CD2-CD1 4.05Å; F503-F541 AromaticContact CD2-CE1 3.54Å; F503-F541 HydrophobicContact CD2-CE1 3.54Å; F503-F541 HydrophobicContact CD2-CZ 4.02Å; F503-F541 HydrophobicContact CE2-CE1 4.3Å; F503-F541 HydrophobicContact CE2-CZ 4.46Å; F503-F541 HydrophobicContact CG-CD1 4.35Å; F503-F541 HydrophobicContact CG-CE1 4.11Å; F503-F541 WeakPolarHBondContact O-CA 3.37Å; L524-F541 HydrophobicContact CD2-CE1 3.76Å; L524-F541 HydrophobicContact CD2-CZ 4Å; V539-F541 HydrophobicContact CG1-CE2 4.31Å; V539-F541 HydrophobicContact CG2-CE2 3.69Å; V539-F541 HydrophobicContact CG2-CZ 3.81Å; F541-Y551 HydrophobicContact CB-CD2 3.94Å; F541-L553 HydrophobicContact CD2-CD1 3.84Å; F541-L553 HydrophobicContact CE2-CD1 4.28Å; F541-V590 HydrophobicContact CE2-CG1 3.77Å; F541-V590 HydrophobicContact CE2-CG2 4.43Å; F541-V590 HydrophobicContact CZ-CG1 3.91Å; F541-L593 HydrophobicContact CB-CD2 3.96Å; F541-L593 HydrophobicContact CD2-CD2 3.65Å; F541-L593 HydrophobicContact CE2-CD2 4.32Å; F541-L593 HydrophobicContact CG-CD2 3.8Å; F541-L594 HydrophobicContact CE1-CD2 3.86Å; F541-L594 HydrophobicContact CZ-CD2 4.19Å; F541-L594 HydrophobicContact CZ-CG 4.45Å
542	I	98.8	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.2	167	-66.6	169.9	0	0	0	107	L502 F503 V504 L505 I548 H549 F550 A617 A618 L621	L502-I542 HydrophobicContact CD1-CD1 4.27Å; L502-I542 HydrophobicContact CD1-CG1 4.23Å; L502-I542 HydrophobicContact CD2-CD1 4.24Å; F503-I542 PolarHBondContact O-N 3.2Å; V504-I542 WeakPolarHBondContact CA-O 3.22Å; V504-I542 HydrophobicContact CG1-CB 4.41Å; V504-I542 HydrophobicContact CG1-CG2 4.26Å; L505-I542 PolarHBondContact N-O 2.97Å; I542-I548 HydrophobicContact CG2-CG2 3.94Å; I542-H549 CarbonylContact C-O 3.6Å; I542-H549 VanDerWaalsContact CA-O 3.24Å; I542-H549 WeakPolarHBondContact CA-O 3.33Å; I542-F550 HydrophobicContact CD1-CD1 4.06Å; I542-F550 HydrophobicContact CD1-CE1 3.83Å; I542-F550 HydrophobicContact CG1-CD1 3.84Å; I542-F550 HydrophobicContact CG1-CE1 4.11Å; I542-A617 HydrophobicContact CD1-CB 4.26Å; I542-A618 HydrophobicContact CD1-CB 4.02Å; I542-L621 HydrophobicContact CD1-CD2 4.35Å
543	T	98.8	Very high	97.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	158.5	161.5	71.6	0	0	0	0	110	L505 V507 H549 Y551 L597 F601	L505-T543 HydrophobicContact CB-CG2 3.97Å; L505-T543 HydrophobicContact CD1-CG2 4.15Å; L505-T543 HydrophobicContact CG-CG2 4.42Å; L505-T543 CarbonylContact O-C 3.54Å; L505-T543 VanDerWaalsContact O-CA 3.22Å; L505-T543 WeakPolarHBondContact O-CA 3.39Å; V507-T543 HydrophobicContact CG1-CG2 3.84Å; T543-H549 PolarHBondContact N-O 2.97Å; T543-H549 WeakPolarHBondContact O-CA 3.28Å; T543-H549 WeakPolarHBondContact O-CB 3.47Å; T543-H549 PolarHBondContact O-N 2.88Å; T543-H549 WeakPolarHBondContact OG1-CB 3.3Å; T543-H549 PolarHBondContact OG1-ND1 3.06Å; T543-Y551 HydrophobicContact CG2-CE2 3.84Å; T543-Y551 PolarHBondContact OG1-OH 2.78Å; T543-L597 HydrophobicContact CG2-CD2 3.82Å; T543-F601 HydrophobicContact CG2-CE2 4.31Å; T543-F601 WeakPolarHBondContact OG1-CZ 3.39Å
544	F	98.7	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	149.1	-177.6	64.7	-80	0	0	0	113.2	V504 L505 D506 V507 T547 I548 S609 L611 A614 Q633	V504-F544 HydrophobicContact CG1-CD1 3.9Å; V504-F544 HydrophobicContact CG1-CE1 3.77Å; L505-F544 VanDerWaalsContact O-CD1 3.29Å; L505-F544 WeakPolarHBondContact O-CD1 3.39Å; L505-F544 WeakPolarHBondContact O-CE1 3.3Å; L505-F544 PolarHBondContact O-N 2.73Å; D506-F544 HydrophobicContact CB-CE1 4.29Å; D506-F544 HydrophobicContact CB-CE2 4.21Å; D506-F544 HydrophobicContact CB-CZ 3.78Å; D506-F544 VanDerWaalsContact N-CE1 3.26Å; V507-F544 WeakPolarHBondContact CG2-O 3.36Å; V507-F544 PolarHBondContact N-O 3.1Å; F544-T547 VanDerWaalsContact CA-O 3.3Å; F544-T547 WeakPolarHBondContact CA-O 3.3Å; F544-I548 HydrophobicContact CB-CD1 3.86Å; F544-S609 WeakPolarHBondContact CE2-OG 3.46Å; F544-L611 HydrophobicContact CE1-CD1 4.3Å; F544-L611 HydrophobicContact CE2-CB 3.9Å; F544-L611 HydrophobicContact CE2-CD1 4.03Å; F544-L611 HydrophobicContact CZ-CB 4.36Å; F544-L611 HydrophobicContact CZ-CD1 3.6Å; F544-A614 HydrophobicContact CB-CB 3.91Å; F544-A614 HydrophobicContact CD1-CB 3.71Å; F544-A614 HydrophobicContact CD2-CB 4.09Å; F544-A614 HydrophobicContact CE1-CB 4.29Å; F544-A614 HydrophobicContact CG-CB 3.61Å; F544-Q633 VanDerWaalsContact CZ-OE1 3.24Å
545	D	98.1	Very high	97.3	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.043	14%	0.136	C	C	.	.	S	Bend	trans	-145.1	-108	175.8	49.9	25.7	0	0	0	109.9	V507 T547 H549 E606 Q608 S609 A610	V507-D545 HydrophobicContact CG2-CB 4.39Å; D545-T547 VanDerWaalsContact C-N 3.33Å; D545-T547 PolarHBondContact N-O 2.95Å; D545-T547 VanDerWaalsContact N-O 3.1Å; D545-T547 PolarHBondContact OD1-N 2.95Å; D545-H549 IonicContact OD1-CE1 3.88Å; D545-H549 IonicContact OD1-NE2 3.93Å; D545-H549 IonicContact OD2-CE1 2.74Å; D545-H549 PolarHBondContact OD2-CE1 3.11Å; D545-E606 HydrophobicContact CB-CB 3.88Å; D545-Q608 CarbonylContact C-O 3.54Å; D545-Q608 WeakPolarHBondContact CA-O 3.23Å; D545-Q608 CarbonylContact O-C 3.57Å; D545-S609 CarbonylContact O-C 3.58Å; D545-S609 VanDerWaalsContact O-CA 3.27Å; D545-S609 WeakPolarHBondContact O-CA 3.47Å; D545-S609 PolarHBondContact O-N 2.84Å; D545-A610 PolarHBondContact O-N 3.02Å
546	S	97.7	Very high	97	Very high	30 Å²	30	26.4 Å²	26.4	21%	0.21	15%	0.146	C	C	.	.	S	Bend	trans	-77.3	-20.3	162.3	55.4	0	0	0	0	112.7	E606	S546-E606 VanDerWaalsContact CB-OE2 3.22Å; S546-E606 WeakPolarHBondContact CB-OE2 3.42Å; S546-E606 PolarHBondContact OG-OE2 3.46Å
547	T	97.6	Very high	96.8	Very high	26 Å²	26	23.7 Å²	23.7	16%	0.16	14%	0.138	C	C	.	.	S	Bend	trans	-127.7	174.8	178.7	72.6	0	0	0	0	112.2	F544 D545 H549	F544-T547 VanDerWaalsContact CA-O 3.3Å; F544-T547 WeakPolarHBondContact CA-O 3.3Å; D545-T547 VanDerWaalsContact C-N 3.33Å; D545-T547 PolarHBondContact N-O 2.95Å; D545-T547 VanDerWaalsContact N-O 3.1Å; D545-T547 PolarHBondContact OD1-N 2.95Å; T547-H549 PolarHBondContact OG1-NE2 2.77Å; T547-H549 VanDerWaalsContact OG1-NE2 3.09Å
548	I	98.4	Very high	96.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.4	179.1	-50.7	-55	0	0	0	110.2	I542 F544 F550 V565 I568 A610 A614 A617	I542-I548 HydrophobicContact CG2-CG2 3.94Å; F544-I548 HydrophobicContact CB-CD1 3.86Å; I548-F550 HydrophobicContact CB-CE2 4.48Å; I548-F550 HydrophobicContact CG2-CD2 4.31Å; I548-F550 HydrophobicContact CG2-CE2 3.79Å; I548-F550 HydrophobicContact CG2-CZ 3.94Å; I548-V565 PolarHBondContact N-O 2.94Å; I548-V565 PolarHBondContact O-N 2.9Å; I548-I568 HydrophobicContact CG1-CG2 4.36Å; I548-A610 HydrophobicContact CD1-CB 4.38Å; I548-A614 HydrophobicContact CD1-CB 3.79Å; I548-A617 HydrophobicContact CG2-CB 4.19Å
549	H	98.3	Very high	96.3	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.032	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.9	-179.4	-47.9	135.6	0	0	0	111	I542 T543 D545 T547 Y551 M562 F601	I542-H549 CarbonylContact C-O 3.6Å; I542-H549 VanDerWaalsContact CA-O 3.24Å; I542-H549 WeakPolarHBondContact CA-O 3.33Å; T543-H549 PolarHBondContact N-O 2.97Å; T543-H549 WeakPolarHBondContact O-CA 3.28Å; T543-H549 WeakPolarHBondContact O-CB 3.47Å; T543-H549 PolarHBondContact O-N 2.88Å; T543-H549 WeakPolarHBondContact OG1-CB 3.3Å; T543-H549 PolarHBondContact OG1-ND1 3.06Å; D545-H549 IonicContact OD1-CE1 3.88Å; D545-H549 IonicContact OD1-NE2 3.93Å; D545-H549 IonicContact OD2-CE1 2.74Å; D545-H549 PolarHBondContact OD2-CE1 3.11Å; T547-H549 PolarHBondContact OG1-NE2 2.77Å; T547-H549 VanDerWaalsContact OG1-NE2 3.09Å; H549-Y551 HydrophobicContact CB-CE2 4.24Å; H549-M562 HydrophobicContact CB-CE 3.8Å; H549-M562 VanDerWaalsContact CD2-CE 3.42Å; H549-M562 WeakPolarHBondContact CD2-CE 3.06Å; H549-F601 AromaticContact CE1-CE1 3.77Å; H549-F601 AromaticContact ND1-CE1 3.85Å; H549-F601 AromaticContact ND1-CZ 3.74Å
550	F	98.3	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	154.4	170.1	-58.8	-88.7	0	0	0	110.4	I542 I548 M562 L563 V565 L573 P574 L579 A617	I542-F550 HydrophobicContact CD1-CD1 4.06Å; I542-F550 HydrophobicContact CD1-CE1 3.83Å; I542-F550 HydrophobicContact CG1-CD1 3.84Å; I542-F550 HydrophobicContact CG1-CE1 4.11Å; I548-F550 HydrophobicContact CB-CE2 4.48Å; I548-F550 HydrophobicContact CG2-CD2 4.31Å; I548-F550 HydrophobicContact CG2-CE2 3.79Å; I548-F550 HydrophobicContact CG2-CZ 3.94Å; F550-M562 WeakPolarHBondContact O-CA 3.41Å; F550-L563 HydrophobicContact CB-CB 4.35Å; F550-L563 PolarHBondContact N-O 2.89Å; F550-L563 PolarHBondContact O-N 2.91Å; F550-V565 HydrophobicContact CD2-CG2 4Å; F550-V565 HydrophobicContact CE2-CB 4.19Å; F550-V565 HydrophobicContact CE2-CG2 3.73Å; F550-L573 HydrophobicContact CE1-CD2 3.61Å; F550-L573 HydrophobicContact CZ-CD2 3.75Å; F550-P574 HydrophobicContact CB-CG 4.46Å; F550-P574 HydrophobicContact CD2-CG 3.99Å; F550-P574 HydrophobicContact CG-CG 4.34Å; F550-L579 HydrophobicContact CB-CD1 4.03Å; F550-L579 HydrophobicContact CB-CD2 3.75Å; F550-L579 HydrophobicContact CD1-CD1 3.72Å; F550-L579 HydrophobicContact CE1-CD1 4.4Å; F550-L579 HydrophobicContact CG-CD1 4.05Å; F550-A617 HydrophobicContact CE1-CB 3.99Å; F550-A617 HydrophobicContact CZ-CB 3.72Å
551	Y	98.1	Very high	96.2	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110.4	176.8	-60.8	-87.8	0	0	0	110.6	F541 T543 H549 L553 Q561 M562 L579 L593 L597 F601	F541-Y551 HydrophobicContact CB-CD2 3.94Å; T543-Y551 HydrophobicContact CG2-CE2 3.84Å; T543-Y551 PolarHBondContact OG1-OH 2.78Å; H549-Y551 HydrophobicContact CB-CE2 4.24Å; Y551-L553 PolarHBondContact O-N 2.95Å; Y551-Q561 WeakPolarHBondContact CA-O 3.45Å; Y551-M562 HydrophobicContact CD1-CB 4.17Å; Y551-M562 HydrophobicContact CD1-CG 4.37Å; Y551-M562 HydrophobicContact CE1-CB 3.93Å; Y551-M562 HydrophobicContact CE1-CG 3.77Å; Y551-M562 HydrophobicContact CE1-SD 4.12Å; Y551-L579 VanDerWaalsContact C-CD2 3.48Å; Y551-L579 VanDerWaalsContact O-CD2 3.3Å; Y551-L579 WeakPolarHBondContact O-CD2 3.45Å; Y551-L593 HydrophobicContact CD1-CD1 3.4Å; Y551-L593 VanDerWaalsContact CD1-CD1 3.4Å; Y551-L593 HydrophobicContact CD1-CD2 4.19Å; Y551-L593 HydrophobicContact CD1-CG 4.47Å; Y551-L593 HydrophobicContact CD2-CD2 4.35Å; Y551-L593 HydrophobicContact CE1-CD1 3.7Å; Y551-L593 HydrophobicContact CG-CD1 3.93Å; Y551-L593 HydrophobicContact CG-CD2 3.85Å; Y551-L597 HydrophobicContact CE1-CD2 4.3Å; Y551-L597 HydrophobicContact CE2-CD2 4.38Å; Y551-F601 WeakPolarHBondContact OH-CZ 3.3Å
552	N	97.2	Very high	96.1	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	121.8	167.4	171.9	7	0	0	0	108.5	Q554 Q561 L563 S578	N552-Q554 PolarHBondContact ND2-OE1 3.21Å; N552-Q554 WeakPolarHBondContact OD1-CB 3.39Å; N552-Q554 VanDerWaalsContact OD1-CG 3.27Å; N552-Q554 WeakPolarHBondContact OD1-CG 3.48Å; N552-Q554 PolarHBondContact OD1-N 3.08Å; N552-Q554 PolarHBondContact OD1-OE1 3.1Å; N552-Q561 HydrophobicContact CB-CB 4.11Å; N552-Q561 PolarHBondContact N-O 3.07Å; N552-Q561 PolarHBondContact ND2-OE1 3Å; N552-Q561 PolarHBondContact O-N 2.84Å; N552-L563 HydrophobicContact CB-CD1 4.08Å; N552-S578 WeakPolarHBondContact OD1-CB 3.34Å
553	L	95.8	Very high	96	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.			trans	-127.9	19.3	-175.2	-67.3	169.7	0	0	0	111.8	F541 Y551 P560 S578 V581 C586 L589 V590 L593	F541-L553 HydrophobicContact CD2-CD1 3.84Å; F541-L553 HydrophobicContact CE2-CD1 4.28Å; Y551-L553 PolarHBondContact O-N 2.95Å; L553-P560 HydrophobicContact CD2-CB 3.73Å; L553-P560 HydrophobicContact CD2-CG 3.83Å; L553-S578 PolarHBondContact N-O 2.85Å; L553-V581 HydrophobicContact CB-CG1 4.03Å; L553-V581 HydrophobicContact CB-CG2 3.79Å; L553-V581 HydrophobicContact CD1-CG2 4.43Å; L553-C586 WeakPolarHBondContact O-CB 3.37Å; L553-C586 PolarHBondContact O-SG 2.9Å; L553-L589 HydrophobicContact CD2-CB 4.14Å; L553-V590 HydrophobicContact CD1-CG2 4.15Å; L553-L593 HydrophobicContact CD1-CD2 3.94Å; L553-L593 HydrophobicContact CD2-CB 4.24Å; L553-L593 HydrophobicContact CD2-CD2 4.13Å; L553-L593 HydrophobicContact CG-CD2 4.48Å
554	Q	92.8	Very high	95.9	Very high	78 Å²	78	47.7 Å²	47.7	36%	0.364	27%	0.271	S	S	.	.			trans	-58.2	149.5	-174.3	72	-167.7	29.5	0	0	112.8	N552 L557 S578 L589	N552-Q554 PolarHBondContact ND2-OE1 3.21Å; N552-Q554 WeakPolarHBondContact OD1-CB 3.39Å; N552-Q554 VanDerWaalsContact OD1-CG 3.27Å; N552-Q554 WeakPolarHBondContact OD1-CG 3.48Å; N552-Q554 PolarHBondContact OD1-N 3.08Å; N552-Q554 PolarHBondContact OD1-OE1 3.1Å; Q554-L557 HydrophobicContact CG-CD1 3.85Å; Q554-L557 HydrophobicContact CG-CD2 4.47Å; Q554-L557 HydrophobicContact CG-CG 3.75Å; Q554-L557 WeakPolarHBondContact O-CG 3.45Å; Q554-L557 PolarHBondContact O-N 2.81Å; Q554-S578 PolarHBondContact OE1-OG 2.88Å; Q554-L589 WeakPolarHBondContact O-CD1 3.5Å
555	E	90.3	Very high	95.8	Very high	143 Å²	143	47.9 Å²	47.9	67%	0.668	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	142.5	176.7	-168.3	-179.8	-171	0	0	111.4
556	G	90.1	Very high	95.6	Very high	81 Å²	81	52 Å²	52	84%	0.835	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-4.4	-178.6	0	0	0	0	0	115.5
557	L	93.3	Very high	95.4	Very high	36 Å²	36	54.3 Å²	54.3	19%	0.188	31%	0.312	C	S	.	.			trans	-71.5	146.1	163.4	-68.2	-178.7	0	0	0	111.1	Q554 Q561 L589	Q554-L557 HydrophobicContact CG-CD1 3.85Å; Q554-L557 HydrophobicContact CG-CD2 4.47Å; Q554-L557 HydrophobicContact CG-CG 3.75Å; Q554-L557 WeakPolarHBondContact O-CG 3.45Å; Q554-L557 PolarHBondContact O-N 2.81Å; L557-Q561 HydrophobicContact CD1-CG 4.18Å; L557-L589 HydrophobicContact CB-CD1 3.99Å; L557-L589 HydrophobicContact CB-CD2 4.24Å
558	S	92.2	Very high	95.2	Very high	118 Å²	118	54.1 Å²	54.1	83%	0.825	31%	0.309	S	S	*	.	S	Bend	trans	-89.4	-14.5	171.8	56.6	0	0	0	0	113.9
559	Q	93.6	Very high	94.8	Very high	131 Å²	131	59.8 Å²	59.8	61%	0.612	34%	0.336	S	S	*	.	S	Bend	trans	-157	152.8	176.8	65.6	-177	26.6	0	0	110.1
560	P	96.5	Very high	94.4	Very high	28 Å²	28	64.9 Å²	64.9	18%	0.182	36%	0.363	C	S	.	.			trans	-55.4	144.8	171.9	-26	35.6	0	0	0	113	L553 L589 L593	L553-P560 HydrophobicContact CD2-CB 3.73Å; L553-P560 HydrophobicContact CD2-CG 3.83Å; P560-L589 WeakPolarHBondContact CG-O 3.43Å; P560-L593 HydrophobicContact CB-CB 4.3Å; P560-L593 HydrophobicContact CB-CD1 4.24Å; P560-L593 HydrophobicContact CG-CB 3.82Å
561	Q	96.1	Very high	94	Very high	85 Å²	85	64.9 Å²	64.9	40%	0.397	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118	175.2	-69.7	179.2	-3.4	0	0	110.6	Y551 N552 L557	Y551-Q561 WeakPolarHBondContact CA-O 3.45Å; N552-Q561 HydrophobicContact CB-CB 4.11Å; N552-Q561 PolarHBondContact N-O 3.07Å; N552-Q561 PolarHBondContact ND2-OE1 3Å; N552-Q561 PolarHBondContact O-N 2.84Å; L557-Q561 HydrophobicContact CD1-CG 4.18Å
562	M	97.4	Very high	93.6	Very high	69 Å²	69	70.2 Å²	70.2	34%	0.34	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.7	176.5	-174.6	174.7	173.1	0	0	110.2	H549 F550 Y551 I564 F601	H549-M562 HydrophobicContact CB-CE 3.8Å; H549-M562 VanDerWaalsContact CD2-CE 3.42Å; H549-M562 WeakPolarHBondContact CD2-CE 3.06Å; F550-M562 WeakPolarHBondContact O-CA 3.41Å; Y551-M562 HydrophobicContact CD1-CB 4.17Å; Y551-M562 HydrophobicContact CD1-CG 4.37Å; Y551-M562 HydrophobicContact CE1-CB 3.93Å; Y551-M562 HydrophobicContact CE1-CG 3.77Å; Y551-M562 HydrophobicContact CE1-SD 4.12Å; M562-I564 HydrophobicContact CE-CD1 4.17Å; M562-I564 HydrophobicContact CE-CG1 4.23Å; M562-I564 HydrophobicContact CG-CG1 4.4Å; M562-F601 HydrophobicContact CE-CE1 4.04Å; M562-F601 HydrophobicContact CE-CZ 3.74Å
563	L	96.9	Very high	93.4	Very high	46 Å²	46	71.6 Å²	71.6	24%	0.241	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113.9	-179.4	-56.9	177.9	0	0	0	108.7	F550 N552 P574 T575	F550-L563 HydrophobicContact CB-CB 4.35Å; F550-L563 PolarHBondContact N-O 2.89Å; F550-L563 PolarHBondContact O-N 2.91Å; N552-L563 HydrophobicContact CB-CD1 4.08Å; L563-P574 HydrophobicContact CB-CG 4.09Å; L563-P574 HydrophobicContact CD1-CB 4.13Å; L563-P574 HydrophobicContact CD1-CG 3.83Å; L563-T575 HydrophobicContact CD1-CG2 4.39Å
564	I	96.8	Very high	93	Very high	103 Å²	103	73.8 Å²	73.8	53%	0.528	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129	-174.8	-53.3	-174.3	0	0	0	109.7	M562	M562-I564 HydrophobicContact CE-CD1 4.17Å; M562-I564 HydrophobicContact CE-CG1 4.23Å; M562-I564 HydrophobicContact CG-CG1 4.4Å
565	V	96.4	Very high	92.7	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.024	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	110.5	171.9	178.1	0	0	0	0	108.3	I548 F550 F572	I548-V565 PolarHBondContact N-O 2.94Å; I548-V565 PolarHBondContact O-N 2.9Å; F550-V565 HydrophobicContact CD2-CG2 4Å; F550-V565 HydrophobicContact CE2-CB 4.19Å; F550-V565 HydrophobicContact CE2-CG2 3.73Å; V565-F572 HydrophobicContact CG1-CD1 4.19Å; V565-F572 HydrophobicContact CG1-CE1 3.79Å; V565-F572 HydrophobicContact CG1-CZ 4.17Å; V565-F572 HydrophobicContact CG2-CE1 4.43Å; V565-F572 HydrophobicContact CG2-CE2 4.18Å; V565-F572 HydrophobicContact CG2-CZ 3.99Å
566	S	93.5	Very high	92.2	Very high	94 Å²	94	68.4 Å²	68.4	66%	0.657	39%	0.391	S	S	*	.			trans	-91.4	-12.6	179.8	52.2	0	0	0	0	114.1	I568	S566-I568 PolarHBondContact O-N 2.82Å
567	D	93.6	Very high	92	Very high	80 Å²	80	71.3 Å²	71.3	43%	0.428	39%	0.388	S	S	.	.			trans	-80	103.8	167.4	-164.4	-32.7	0	0	0	109.2	E569 D570	D567-E569 PolarHBondContact OD1-N 3.08Å; D567-D570 PolarHBondContact OD1-N 2.88Å
568	I	93.8	Very high	91.9	Very high	21 Å²	21	70.6 Å²	70.6	11%	0.108	39%	0.386	C	S	.	.	S	Bend	trans	-96.3	2.1	-178.9	65.3	173.9	0	0	0	112.9	I548 S566 I571 A610 S613 L639	I548-I568 HydrophobicContact CG1-CG2 4.36Å; S566-I568 PolarHBondContact O-N 2.82Å; I568-I571 WeakPolarHBondContact O-CD1 3.23Å; I568-A610 HydrophobicContact CD1-CB 4.46Å; I568-A610 HydrophobicContact CG2-CB 4.48Å; I568-S613 WeakPolarHBondContact O-CB 3.42Å; I568-S613 PolarHBondContact O-OG 3.49Å; I568-L639 HydrophobicContact CD1-CD1 4.32Å; I568-L639 HydrophobicContact CD1-CD2 3.71Å; I568-L639 HydrophobicContact CD1-CG 3.59Å
569	E	90.3	Very high	92.1	Very high	120 Å²	120	65.1 Å²	65.1	56%	0.561	35%	0.347	S	S	*	.	S	Bend	trans	-106.2	-42.5	-179.7	-62.7	-63.8	144.2	0	0	111.4	D567	D567-E569 PolarHBondContact OD1-N 3.08Å
570	D	89.1	Confident	92.2	Very high	113 Å²	113	59.4 Å²	59.4	60%	0.604	32%	0.321	S	S	*	.	S	Bend	trans	-112.4	70	166	-165.1	12.1	0	0	0	112.4	D567 F572	D567-D570 PolarHBondContact OD1-N 2.88Å; D570-F572 PolarHBondContact O-N 2.83Å; D570-F572 VanDerWaalsContact O-N 3.07Å
571	I	90	Very high	92.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.315	C	S	.	.			trans	-57.6	110	179.1	-60.1	114.1	0	0	0	111.6	I568 Q616 A617 K620	I568-I571 WeakPolarHBondContact O-CD1 3.23Å; I571-Q616 HydrophobicContact CD1-CB 4.1Å; I571-Q616 VanDerWaalsContact CD1-OE1 3.28Å; I571-A617 HydrophobicContact CG2-CB 3.65Å; I571-K620 PolarHBondContact O-NZ 3.14Å
572	F	89.9	Confident	92.3	Very high	116 Å²	116	55.3 Å²	55.3	51%	0.509	30%	0.3	S	S	.	.			trans	-97.6	161.5	168.2	66.2	-85.4	0	0	0	111.9	V565 D570 P574	V565-F572 HydrophobicContact CG1-CD1 4.19Å; V565-F572 HydrophobicContact CG1-CE1 3.79Å; V565-F572 HydrophobicContact CG1-CZ 4.17Å; V565-F572 HydrophobicContact CG2-CE1 4.43Å; V565-F572 HydrophobicContact CG2-CE2 4.18Å; V565-F572 HydrophobicContact CG2-CZ 3.99Å; D570-F572 PolarHBondContact O-N 2.83Å; D570-F572 VanDerWaalsContact O-N 3.07Å; F572-P574 HydrophobicContact CE2-CB 4.31Å
573	L	92.9	Very high	92.2	Very high	38 Å²	38	52.7 Å²	52.7	20%	0.199	29%	0.288	C	S	.	.			trans	-100.1	119.9	171.9	-62.6	179	0	0	0	108.5	F550 P576 K620 L621	F550-L573 HydrophobicContact CE1-CD2 3.61Å; F550-L573 HydrophobicContact CZ-CD2 3.75Å; L573-P576 HydrophobicContact CB-CG 3.86Å; L573-P576 HydrophobicContact CD1-CB 4.46Å; L573-P576 HydrophobicContact CD1-CG 4.25Å; L573-K620 HydrophobicContact CD1-CB 4.06Å; L573-K620 HydrophobicContact CD2-CB 4.46Å; L573-K620 HydrophobicContact CG-CB 4.28Å; L573-L621 HydrophobicContact CD1-CB 4.17Å; L573-L621 HydrophobicContact CD1-CD1 4.27Å; L573-L621 HydrophobicContact CD2-CB 4.11Å
574	P	87.1	Confident	92.1	Very high	46 Å²	46	55 Å²	55	30%	0.299	30%	0.3	S	S	.	.	S	Bend	trans	-70.5	-39.8	-172.5	24.6	-33.1	0	0	0	113.6	F550 L563 F572 L579	F550-P574 HydrophobicContact CB-CG 4.46Å; F550-P574 HydrophobicContact CD2-CG 3.99Å; F550-P574 HydrophobicContact CG-CG 4.34Å; L563-P574 HydrophobicContact CB-CG 4.09Å; L563-P574 HydrophobicContact CD1-CB 4.13Å; L563-P574 HydrophobicContact CD1-CG 3.83Å; F572-P574 HydrophobicContact CE2-CB 4.31Å; P574-L579 HydrophobicContact CG-CD1 4.43Å
575	T	86.4	Confident	92.1	Very high	48 Å²	48	55.7 Å²	55.7	29%	0.294	30%	0.301	S	S	.	.	S	Bend	trans	-149	68.8	-176.5	55.1	0	0	0	0	111.9	L563 D577 S578 L579	L563-T575 HydrophobicContact CD1-CG2 4.39Å; T575-D577 PolarHBondContact O-N 3.4Å; T575-D577 VanDerWaalsContact O-N 3.12Å; T575-S578 PolarHBondContact O-N 2.99Å; T575-L579 WeakPolarHBondContact O-CG 3.23Å
576	P	81.1	Confident	92	Very high	59 Å²	59	55.8 Å²	55.8	38%	0.383	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-47.6	-47.3	-165.2	-29.5	33.9	0	0	0	116.2	L573 S578 L579	L573-P576 HydrophobicContact CB-CG 3.86Å; L573-P576 HydrophobicContact CD1-CB 4.46Å; L573-P576 HydrophobicContact CD1-CG 4.25Å; P576-S578 VanDerWaalsContact C-N 3.26Å; P576-S578 PolarHBondContact O-N 2.8Å; P576-L579 PolarHBondContact O-N 2.82Å
577	D	84.9	Confident	92.1	Very high	143 Å²	143	54.8 Å²	54.8	77%	0.765	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-64.9	-30.3	-176.5	-58.6	-68.9	0	0	0	113.1	T575 L579	T575-D577 PolarHBondContact O-N 3.4Å; T575-D577 VanDerWaalsContact O-N 3.12Å; D577-L579 VanDerWaalsContact C-N 3.34Å
578	S	91.1	Very high	92.3	Very high	20 Å²	20	58.1 Å²	58.1	14%	0.14	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-85	-2.6	-178.9	-51.2	0	0	0	0	114.2	N552 L553 Q554 T575 P576 V581	N552-S578 WeakPolarHBondContact OD1-CB 3.34Å; L553-S578 PolarHBondContact N-O 2.85Å; Q554-S578 PolarHBondContact OE1-OG 2.88Å; T575-S578 PolarHBondContact O-N 2.99Å; P576-S578 VanDerWaalsContact C-N 3.26Å; P576-S578 PolarHBondContact O-N 2.8Å; S578-V581 WeakPolarHBondContact O-CG1 3.35Å
579	L	95.8	Very high	92.4	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.016	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-19.2	-176.2	-62.3	177.5	0	0	0	114	G540 F550 Y551 P574 T575 P576 D577 L621	G540-L579 VanDerWaalsContact CA-O 3.29Å; G540-L579 WeakPolarHBondContact CA-O 3.42Å; F550-L579 HydrophobicContact CB-CD1 4.03Å; F550-L579 HydrophobicContact CB-CD2 3.75Å; F550-L579 HydrophobicContact CD1-CD1 3.72Å; F550-L579 HydrophobicContact CE1-CD1 4.4Å; F550-L579 HydrophobicContact CG-CD1 4.05Å; Y551-L579 VanDerWaalsContact C-CD2 3.48Å; Y551-L579 VanDerWaalsContact O-CD2 3.3Å; Y551-L579 WeakPolarHBondContact O-CD2 3.45Å; P574-L579 HydrophobicContact CG-CD1 4.43Å; T575-L579 WeakPolarHBondContact O-CG 3.23Å; P576-L579 PolarHBondContact O-N 2.82Å; D577-L579 VanDerWaalsContact C-N 3.34Å; L579-L621 HydrophobicContact CB-CD1 3.97Å; L579-L621 HydrophobicContact CB-CD2 4.08Å; L579-L621 HydrophobicContact CD1-CD1 4.47Å
580	L	96.5	Very high	92.8	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.063	27%	0.271	C	S	.	.	S	Bend	trans	-120.2	81.4	171.9	-76.3	177.2	0	0	0	109.3	V500 K538 L621 L622	V500-L580 HydrophobicContact CG1-CD1 4.27Å; V500-L580 HydrophobicContact CG1-CD2 3.99Å; K538-L580 HydrophobicContact CD-CB 4.38Å; K538-L580 VanDerWaalsContact CD-O 3.31Å; K538-L580 WeakPolarHBondContact CD-O 3.42Å; K538-L580 WeakPolarHBondContact CE-O 3.33Å; K538-L580 PolarHBondContact NZ-O 2.72Å; L580-L621 HydrophobicContact CD1-CD1 4.01Å; L580-L621 HydrophobicContact CD1-CG 3.82Å; L580-L621 WeakPolarHBondContact CD1-O 3.27Å; L580-L621 HydrophobicContact CG-CD1 3.97Å; L580-L621 HydrophobicContact CG-CD2 4.19Å; L580-L621 HydrophobicContact CG-CG 3.85Å; L580-L622 HydrophobicContact CD1-CD2 4.17Å; L580-L622 HydrophobicContact CD2-CD2 4.41Å
581	V	96.8	Very high	93.2	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	157.9	-171.6	-59.5	0	0	0	0	112.1	K538 V539 L553 S578 L583 C586	K538-V581 CarbonylContact C-O 3.54Å; K538-V581 WeakPolarHBondContact CA-O 3.42Å; V539-V581 HydrophobicContact CG1-CG2 4.32Å; V539-V581 PolarHBondContact N-O 3.39Å; V539-V581 PolarHBondContact O-N 3.01Å; L553-V581 HydrophobicContact CB-CG1 4.03Å; L553-V581 HydrophobicContact CB-CG2 3.79Å; L553-V581 HydrophobicContact CD1-CG2 4.43Å; S578-V581 WeakPolarHBondContact O-CG1 3.35Å; V581-L583 PolarHBondContact O-N 2.83Å; V581-C586 HydrophobicContact CB-CB 4.07Å; V581-C586 HydrophobicContact CG2-CB 3.7Å
582	N	97.4	Very high	93.6	Very high	18 Å²	18	52.6 Å²	52.6	10%	0.096	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	126.2	173.7	-170.9	-22.8	0	0	0	109.8	S535 T537 N584 E585 C586	S535-N582 PolarHBondContact O-ND2 3.01Å; S535-N582 PolarHBondContact O-OD1 2.97Å; T537-N582 WeakPolarHBondContact O-CA 3.41Å; T537-N582 PolarHBondContact O-OD1 2.89Å; N582-N584 PolarHBondContact O-N 3.1Å; N582-N584 PolarHBondContact OD1-N 2.95Å; N582-N584 PolarHBondContact OD1-ND2 3.18Å; N582-E585 HydrophobicContact CB-CB 4.13Å; N582-E585 VanDerWaalsContact CB-CD 3.46Å; N582-E585 HydrophobicContact CB-CG 4.13Å; N582-E585 WeakPolarHBondContact CB-OE2 3.23Å; N582-E585 PolarHBondContact ND2-OE1 3.02Å; N582-E585 PolarHBondContact O-N 2.83Å; N582-C586 WeakPolarHBondContact O-CB 3.23Å; N582-C586 PolarHBondContact O-N 2.65Å
583	L	96.6	Very high	94	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.073	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.3	-179.7	179.5	62.9	0	0	0	113.2	I528 L531 T537 V539 V581 K587	I528-L583 HydrophobicContact CD1-CD1 3.9Å; I528-L583 HydrophobicContact CG1-CD1 3.78Å; L531-L583 HydrophobicContact CB-CD2 4.49Å; L531-L583 HydrophobicContact CD1-CD2 3.84Å; T537-L583 HydrophobicContact CG2-CB 4.29Å; T537-L583 HydrophobicContact CG2-CD2 3.99Å; T537-L583 WeakPolarHBondContact O-CB 3.46Å; T537-L583 PolarHBondContact O-N 2.88Å; V539-L583 HydrophobicContact CB-CD1 4.3Å; V539-L583 HydrophobicContact CG1-CB 4.34Å; V539-L583 HydrophobicContact CG1-CD1 3.86Å; V581-L583 PolarHBondContact O-N 2.83Å; L583-K587 WeakPolarHBondContact O-CA 3.37Å; L583-K587 VanDerWaalsContact O-CB 3.29Å; L583-K587 WeakPolarHBondContact O-CB 3.5Å
584	N	94.4	Very high	94.3	Very high	94 Å²	94	45.4 Å²	45.4	50%	0.503	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-40.9	-178	-57.4	-77.2	0	0	0	111.9	D534 S535 N582	D534-N584 PolarHBondContact O-ND2 3.04Å; S535-N584 PolarHBondContact O-ND2 3.25Å; N582-N584 PolarHBondContact O-N 3.1Å; N582-N584 PolarHBondContact OD1-N 2.95Å; N582-N584 PolarHBondContact OD1-ND2 3.18Å
585	E	95.6	Very high	94.8	Very high	117 Å²	117	48.3 Å²	48.3	55%	0.547	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-48.2	179.2	-66.3	149.3	-156.6	0	0	110.5	N582 K587	N582-E585 HydrophobicContact CB-CB 4.13Å; N582-E585 VanDerWaalsContact CB-CD 3.46Å; N582-E585 HydrophobicContact CB-CG 4.13Å; N582-E585 WeakPolarHBondContact CB-OE2 3.23Å; N582-E585 PolarHBondContact ND2-OE1 3.02Å; N582-E585 PolarHBondContact O-N 2.83Å; E585-K587 VanDerWaalsContact C-N 3.33Å; E585-K587 PolarHBondContact O-N 3.35Å
586	C	96.1	Very high	95.3	Very high	7 Å²	7	47.9 Å²	47.9	5%	0.047	25%	0.246	C	C	.	.	S	Bend	trans	-95.5	22.9	-173.1	-58.5	0	0	0	0	113.2	L553 V581 N582 E588 L589 V590	L553-C586 WeakPolarHBondContact O-CB 3.37Å; L553-C586 PolarHBondContact O-SG 2.9Å; V581-C586 HydrophobicContact CB-CB 4.07Å; V581-C586 HydrophobicContact CG2-CB 3.7Å; N582-C586 WeakPolarHBondContact O-CB 3.23Å; N582-C586 PolarHBondContact O-N 2.65Å; C586-E588 PolarHBondContact O-N 3.2Å; C586-L589 PolarHBondContact O-N 3.43Å; C586-V590 WeakPolarHBondContact O-CG2 3.33Å; C586-V590 PolarHBondContact O-N 3.41Å
587	K	95.6	Very high	96	Very high	72 Å²	72	45.1 Å²	45.1	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-58.7	-42.9	-168.9	-166.6	177.2	-176.7	176.4	0	113.6	S529 L583 E585 V590 Q591	S529-K587 PolarHBondContact OG-NZ 2.97Å; L583-K587 WeakPolarHBondContact O-CA 3.37Å; L583-K587 VanDerWaalsContact O-CB 3.29Å; L583-K587 WeakPolarHBondContact O-CB 3.5Å; E585-K587 VanDerWaalsContact C-N 3.33Å; E585-K587 PolarHBondContact O-N 3.35Å; K587-V590 PolarHBondContact O-N 3.21Å; K587-Q591 WeakPolarHBondContact O-CG 3.24Å; K587-Q591 PolarHBondContact O-N 3.25Å
588	E	96.4	Very high	96.6	Very high	150 Å²	150	39.4 Å²	39.4	70%	0.701	20%	0.199	S	C	*	.	H	α-helix	trans	-68.5	-45.6	-177	-60.1	-172.8	155.6	0	0	110.9	C586 V590 Q591 D592	C586-E588 PolarHBondContact O-N 3.2Å; E588-V590 VanDerWaalsContact C-N 3.31Å; E588-V590 PolarHBondContact O-N 2.84Å; E588-Q591 CarbonylContact O-C 3.52Å; E588-Q591 WeakPolarHBondContact O-CA 3.3Å; E588-Q591 WeakPolarHBondContact O-CB 3.46Å; E588-Q591 PolarHBondContact O-N 3.48Å; E588-D592 PolarHBondContact O-N 2.96Å
589	L	97.3	Very high	96.8	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-40.7	173	-71	170.2	0	0	0	112.6	L553 Q554 L557 P560 C586 D592 L593	L553-L589 HydrophobicContact CD2-CB 4.14Å; Q554-L589 WeakPolarHBondContact O-CD1 3.5Å; L557-L589 HydrophobicContact CB-CD1 3.99Å; L557-L589 HydrophobicContact CB-CD2 4.24Å; P560-L589 WeakPolarHBondContact CG-O 3.43Å; C586-L589 PolarHBondContact O-N 3.43Å; L589-D592 PolarHBondContact O-N 2.99Å; L589-L593 WeakPolarHBondContact O-CB 3.49Å; L589-L593 PolarHBondContact O-N 3.47Å
590	V	97.8	Very high	96.9	Very high	1 Å²	1	48 Å²	48	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-41.5	174.4	173.6	0	0	0	0	111.1	I528 V539 F541 L553 C586 K587 E588 L593 L594	I528-V590 HydrophobicContact CD1-CB 4.39Å; I528-V590 HydrophobicContact CD1-CG1 3.63Å; V539-V590 HydrophobicContact CG1-CG1 4.42Å; V539-V590 HydrophobicContact CG1-CG2 3.67Å; F541-V590 HydrophobicContact CE2-CG1 3.77Å; F541-V590 HydrophobicContact CE2-CG2 4.43Å; F541-V590 HydrophobicContact CZ-CG1 3.91Å; L553-V590 HydrophobicContact CD1-CG2 4.15Å; C586-V590 WeakPolarHBondContact O-CG2 3.33Å; C586-V590 PolarHBondContact O-N 3.41Å; K587-V590 PolarHBondContact O-N 3.21Å; E588-V590 VanDerWaalsContact C-N 3.31Å; E588-V590 PolarHBondContact O-N 2.84Å; V590-L593 PolarHBondContact O-N 3.24Å; V590-L594 HydrophobicContact CG1-CD1 4.09Å; V590-L594 VanDerWaalsContact O-CG 3.29Å; V590-L594 WeakPolarHBondContact O-CG 3.5Å; V590-L594 PolarHBondContact O-N 3.43Å
591	Q	98	Very high	96.9	Very high	56 Å²	56	48.1 Å²	48.1	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-38.2	176.3	-72.3	-174.9	-34.4	0	0	112.3	L525 I528 K587 E588 L594 K595	L525-Q591 HydrophobicContact CD2-CB 3.9Å; L525-Q591 HydrophobicContact CD2-CG 3.81Å; I528-Q591 HydrophobicContact CD1-CG 4.23Å; K587-Q591 WeakPolarHBondContact O-CG 3.24Å; K587-Q591 PolarHBondContact O-N 3.25Å; E588-Q591 CarbonylContact O-C 3.52Å; E588-Q591 WeakPolarHBondContact O-CA 3.3Å; E588-Q591 WeakPolarHBondContact O-CB 3.46Å; E588-Q591 PolarHBondContact O-N 3.48Å; Q591-L594 PolarHBondContact O-N 3.35Å; Q591-K595 WeakPolarHBondContact O-CE 3.43Å; Q591-K595 VanDerWaalsContact O-CG 3.24Å; Q591-K595 WeakPolarHBondContact O-CG 3.32Å; Q591-K595 PolarHBondContact O-N 3.38Å
592	D	97.9	Very high	96.8	Very high	65 Å²	65	53.1 Å²	53.1	35%	0.348	27%	0.265	S	S	.	.	H	α-helix	trans	-73.4	-32.1	178.3	-70	-23.1	0	0	0	112.7	E588 L589 K595 S596	E588-D592 PolarHBondContact O-N 2.96Å; L589-D592 PolarHBondContact O-N 2.99Å; D592-K595 PolarHBondContact O-N 3.35Å; D592-K595 WeakPolarHBondContact OD1-CD 3.47Å; D592-K595 WeakPolarHBondContact OD1-CE 3.32Å; D592-K595 IonicContact OD1-NZ 3.32Å; D592-K595 PolarHBondContact OD1-NZ 2.92Å; D592-S596 WeakPolarHBondContact O-CB 3.32Å; D592-S596 PolarHBondContact O-N 3.02Å; D592-S596 PolarHBondContact O-OG 3.32Å
593	L	98.4	Very high	96.6	Very high	1 Å²	1	60 Å²	60	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-47.6	166.2	180	61.9	0	0	0	110.9	F541 Y551 L553 P560 L589 V590 K595 S596 L597	F541-L593 HydrophobicContact CB-CD2 3.96Å; F541-L593 HydrophobicContact CD2-CD2 3.65Å; F541-L593 HydrophobicContact CE2-CD2 4.32Å; F541-L593 HydrophobicContact CG-CD2 3.8Å; Y551-L593 HydrophobicContact CD1-CD1 3.4Å; Y551-L593 VanDerWaalsContact CD1-CD1 3.4Å; Y551-L593 HydrophobicContact CD1-CD2 4.19Å; Y551-L593 HydrophobicContact CD1-CG 4.47Å; Y551-L593 HydrophobicContact CD2-CD2 4.35Å; Y551-L593 HydrophobicContact CE1-CD1 3.7Å; Y551-L593 HydrophobicContact CG-CD1 3.93Å; Y551-L593 HydrophobicContact CG-CD2 3.85Å; L553-L593 HydrophobicContact CD1-CD2 3.94Å; L553-L593 HydrophobicContact CD2-CB 4.24Å; L553-L593 HydrophobicContact CD2-CD2 4.13Å; L553-L593 HydrophobicContact CG-CD2 4.48Å; P560-L593 HydrophobicContact CB-CB 4.3Å; P560-L593 HydrophobicContact CB-CD1 4.24Å; P560-L593 HydrophobicContact CG-CB 3.82Å; L589-L593 WeakPolarHBondContact O-CB 3.49Å; L589-L593 PolarHBondContact O-N 3.47Å; V590-L593 PolarHBondContact O-N 3.24Å; L593-K595 VanDerWaalsContact C-N 3.33Å; L593-K595 PolarHBondContact O-N 3.2Å; L593-S596 WeakPolarHBondContact CA-OG 3.29Å; L593-S596 PolarHBondContact O-N 2.98Å; L593-S596 VanDerWaalsContact O-N 3.17Å; L593-S596 PolarHBondContact O-OG 3.25Å; L593-S596 VanDerWaalsContact O-OG 3.09Å; L593-L597 HydrophobicContact CD1-CD1 4.17Å; L593-L597 HydrophobicContact CD1-CD2 4.18Å; L593-L597 HydrophobicContact CD1-CG 3.78Å; L593-L597 HydrophobicContact CD2-CD1 4.4Å; L593-L597 HydrophobicContact CG-CD1 3.85Å; L593-L597 HydrophobicContact CG-CG 3.98Å; L593-L597 WeakPolarHBondContact O-CB 3.35Å; L593-L597 WeakPolarHBondContact O-CG 3.3Å; L593-L597 PolarHBondContact O-N 3.48Å
594	L	98.3	Very high	96.6	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-67	-31.1	-179	-68.4	168.6	0	0	0	113.3	F520 C521 L524 L525 I528 F541 V590 Q591 L597	F520-L594 HydrophobicContact CE1-CD2 4.39Å; C521-L594 HydrophobicContact CB-CD2 4.39Å; C521-L594 WeakPolarHBondContact CB-O 3.28Å; L524-L594 HydrophobicContact CB-CD1 4.32Å; L524-L594 HydrophobicContact CD2-CD1 4Å; L524-L594 HydrophobicContact CD2-CD2 3.88Å; L524-L594 HydrophobicContact CG-CD1 3.88Å; L524-L594 HydrophobicContact CG-CD2 4.45Å; L525-L594 HydrophobicContact CD1-CB 4.12Å; L525-L594 HydrophobicContact CD2-CB 3.83Å; L525-L594 HydrophobicContact CD2-CD1 4Å; L525-L594 HydrophobicContact CG-CB 3.77Å; L525-L594 HydrophobicContact CG-CD1 4.1Å; I528-L594 HydrophobicContact CD1-CD1 4.46Å; F541-L594 HydrophobicContact CE1-CD2 3.86Å; F541-L594 HydrophobicContact CZ-CD2 4.19Å; F541-L594 HydrophobicContact CZ-CG 4.45Å; V590-L594 HydrophobicContact CG1-CD1 4.09Å; V590-L594 VanDerWaalsContact O-CG 3.29Å; V590-L594 WeakPolarHBondContact O-CG 3.5Å; V590-L594 PolarHBondContact O-N 3.43Å; Q591-L594 PolarHBondContact O-N 3.35Å; L594-L597 HydrophobicContact CD2-CD1 4.33Å
595	K	97.9	Very high	96.7	Very high	107 Å²	107	62.7 Å²	62.7	47%	0.465	31%	0.307	S	S	.	.	H	α-helix	trans	-70.5	-33.5	171.9	-66.9	162.9	-153	163.6	0	112.6	L525 Q591 D592 L593 N599	L525-K595 HydrophobicContact CD1-CG 4.29Å; Q591-K595 WeakPolarHBondContact O-CE 3.43Å; Q591-K595 VanDerWaalsContact O-CG 3.24Å; Q591-K595 WeakPolarHBondContact O-CG 3.32Å; Q591-K595 PolarHBondContact O-N 3.38Å; D592-K595 PolarHBondContact O-N 3.35Å; D592-K595 WeakPolarHBondContact OD1-CD 3.47Å; D592-K595 WeakPolarHBondContact OD1-CE 3.32Å; D592-K595 IonicContact OD1-NZ 3.32Å; D592-K595 PolarHBondContact OD1-NZ 2.92Å; L593-K595 VanDerWaalsContact C-N 3.33Å; L593-K595 PolarHBondContact O-N 3.2Å; K595-N599 PolarHBondContact O-ND2 2.81Å; K595-N599 VanDerWaalsContact O-ND2 3.11Å
596	S	97.4	Very high	96.8	Very high	40 Å²	40	60.8 Å²	60.8	28%	0.28	30%	0.298	S	S	.	.	H	α-helix	trans	-89.6	-34.2	-175.1	53.1	0	0	0	0	113.8	D592 L593 N599 L600	D592-S596 WeakPolarHBondContact O-CB 3.32Å; D592-S596 PolarHBondContact O-N 3.02Å; D592-S596 PolarHBondContact O-OG 3.32Å; L593-S596 WeakPolarHBondContact CA-OG 3.29Å; L593-S596 PolarHBondContact O-N 2.98Å; L593-S596 VanDerWaalsContact O-N 3.17Å; L593-S596 PolarHBondContact O-OG 3.25Å; L593-S596 VanDerWaalsContact O-OG 3.09Å; S596-N599 WeakPolarHBondContact O-CA 3.45Å; S596-N599 WeakPolarHBondContact O-CB 3.21Å; S596-N599 PolarHBondContact O-N 2.89Å; S596-L600 PolarHBondContact O-N 2.97Å; S596-L600 VanDerWaalsContact O-N 3.09Å
597	L	96.8	Very high	96.8	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-45.3	-49.3	-175.8	-91.5	171.2	0	0	0	115.1	L505 T543 Y551 L593 L594 N599 L600 F601	L505-L597 HydrophobicContact CD1-CD1 4.46Å; T543-L597 HydrophobicContact CG2-CD2 3.82Å; Y551-L597 HydrophobicContact CE1-CD2 4.3Å; Y551-L597 HydrophobicContact CE2-CD2 4.38Å; L593-L597 HydrophobicContact CD1-CD1 4.17Å; L593-L597 HydrophobicContact CD1-CD2 4.18Å; L593-L597 HydrophobicContact CD1-CG 3.78Å; L593-L597 HydrophobicContact CD2-CD1 4.4Å; L593-L597 HydrophobicContact CG-CD1 3.85Å; L593-L597 HydrophobicContact CG-CG 3.98Å; L593-L597 WeakPolarHBondContact O-CB 3.35Å; L593-L597 WeakPolarHBondContact O-CG 3.3Å; L593-L597 PolarHBondContact O-N 3.48Å; L594-L597 HydrophobicContact CD2-CD1 4.33Å; L597-N599 VanDerWaalsContact C-N 3.26Å; L597-N599 PolarHBondContact O-N 2.73Å; L597-L600 PolarHBondContact O-N 3.26Å; L597-F601 HydrophobicContact CD2-CE2 3.99Å; L597-F601 WeakPolarHBondContact O-CD2 3.46Å
598	P	96.1	Very high	96.9	Very high	24 Å²	24	63.8 Å²	63.8	16%	0.156	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-33.1	178.9	-23.5	35.2	0	0	0	113.7	L517 C521 E602	L517-P598 HydrophobicContact CG-CG 4.45Å; C521-P598 HydrophobicContact CB-CG 4.13Å; P598-E602 PolarHBondContact O-N 3.34Å
599	N	96.8	Very high	97	Very high	110 Å²	110	56.6 Å²	56.6	59%	0.588	28%	0.284	S	S	*	.	H	α-helix	trans	-81.4	-26.5	-177.2	-56.5	-65.2	0	0	0	112.3	K595 S596 L597 F601	K595-N599 PolarHBondContact O-ND2 2.81Å; K595-N599 VanDerWaalsContact O-ND2 3.11Å; S596-N599 WeakPolarHBondContact O-CA 3.45Å; S596-N599 WeakPolarHBondContact O-CB 3.21Å; S596-N599 PolarHBondContact O-N 2.89Å; L597-N599 VanDerWaalsContact C-N 3.26Å; L597-N599 PolarHBondContact O-N 2.73Å; N599-F601 VanDerWaalsContact C-N 3.27Å; N599-F601 PolarHBondContact O-N 2.96Å
600	L	96.6	Very high	97	Very high	93 Å²	93	55.9 Å²	55.9	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-63	-33.6	176.8	-69.7	176.3	0	0	0	112.4	S596 L597	S596-L600 PolarHBondContact O-N 2.97Å; S596-L600 VanDerWaalsContact O-N 3.09Å; L597-L600 PolarHBondContact O-N 3.26Å
601	F	96.3	Very high	97.1	Very high	14 Å²	14	55.9 Å²	55.9	6%	0.061	28%	0.281	C	S	.	.	S	Bend	trans	-110.6	1.4	-174.5	-57.9	-75	0	0	0	114.2	V507 V512 L517 T543 H549 Y551 M562 L597 N599 K603 T604	V507-F601 HydrophobicContact CB-CB 4.39Å; V507-F601 HydrophobicContact CB-CD1 3.98Å; V507-F601 HydrophobicContact CB-CD2 3.97Å; V507-F601 HydrophobicContact CB-CE1 4.25Å; V507-F601 HydrophobicContact CB-CE2 4.23Å; V507-F601 HydrophobicContact CB-CG 3.85Å; V507-F601 HydrophobicContact CB-CZ 4.37Å; V507-F601 HydrophobicContact CG1-CD2 3.81Å; V507-F601 HydrophobicContact CG1-CE2 3.95Å; V507-F601 HydrophobicContact CG1-CG 4.21Å; V507-F601 HydrophobicContact CG1-CZ 4.45Å; V507-F601 HydrophobicContact CG2-CD1 3.88Å; V507-F601 HydrophobicContact CG2-CD2 4.37Å; V507-F601 HydrophobicContact CG2-CE1 3.7Å; V507-F601 HydrophobicContact CG2-CE2 4.21Å; V507-F601 HydrophobicContact CG2-CG 4.22Å; V507-F601 HydrophobicContact CG2-CZ 3.87Å; V512-F601 HydrophobicContact CG2-CB 3.85Å; L517-F601 HydrophobicContact CD2-CD2 4.36Å; T543-F601 HydrophobicContact CG2-CE2 4.31Å; T543-F601 WeakPolarHBondContact OG1-CZ 3.39Å; H549-F601 AromaticContact CE1-CE1 3.77Å; H549-F601 AromaticContact ND1-CE1 3.85Å; H549-F601 AromaticContact ND1-CZ 3.74Å; Y551-F601 WeakPolarHBondContact OH-CZ 3.3Å; M562-F601 HydrophobicContact CE-CE1 4.04Å; M562-F601 HydrophobicContact CE-CZ 3.74Å; L597-F601 HydrophobicContact CD2-CE2 3.99Å; L597-F601 WeakPolarHBondContact O-CD2 3.46Å; N599-F601 VanDerWaalsContact C-N 3.27Å; N599-F601 PolarHBondContact O-N 2.96Å; F601-K603 PolarHBondContact O-N 3.26Å; F601-T604 WeakPolarHBondContact O-CB 3.49Å; F601-T604 WeakPolarHBondContact O-CG2 3.26Å; F601-T604 PolarHBondContact O-N 2.79Å
602	E	94.3	Very high	97.1	Very high	114 Å²	114	53.2 Å²	53.2	53%	0.533	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-34.7	-176.7	-172.8	-160.7	-146.9	0	0	113.9	P598	P598-E602 PolarHBondContact O-N 3.34Å
603	K	94.7	Very high	97.1	Very high	162 Å²	162	50.1 Å²	50.1	70%	0.704	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	22.9	-175.8	-57.6	-175.1	175.5	80.5	0	113.3	F601	F601-K603 PolarHBondContact O-N 3.26Å
604	T	95.9	Very high	97.1	Very high	25 Å²	25	50.1 Å²	50.1	15%	0.153	25%	0.251	C	S	.	.			trans	-63.8	143.3	177.9	-168.8	0	0	0	0	111.7	H509 V512 F601 E606	H509-T604 HydrophobicContact CB-CG2 4.33Å; V512-T604 HydrophobicContact CB-CG2 4.26Å; V512-T604 HydrophobicContact CG2-CG2 3.72Å; F601-T604 WeakPolarHBondContact O-CB 3.49Å; F601-T604 WeakPolarHBondContact O-CG2 3.26Å; F601-T604 PolarHBondContact O-N 2.79Å; T604-E606 PolarHBondContact OG1-N 3.08Å
605	M	96.2	Very high	97.1	Very high	141 Å²	141	50.1 Å²	50.1	70%	0.695	25%	0.251	S	S	*	.			trans	-114.2	3.2	172.6	-63.3	-68.8	158.3	0	0	111.6	T607	M605-T607 PolarHBondContact O-N 3.14Å
606	E	97.4	Very high	97.1	Very high	77 Å²	77	47.6 Å²	47.6	36%	0.36	24%	0.241	S	C	.	.			trans	-71.2	112.2	-177.9	-69.9	-57.3	123.9	0	0	110.8	S508 H509 D545 S546 T604	S508-E606 CarbonylContact C-O 3.58Å; S508-E606 VanDerWaalsContact CA-O 3.29Å; S508-E606 WeakPolarHBondContact CA-O 3.49Å; S508-E606 WeakPolarHBondContact CB-O 3.39Å; H509-E606 PolarHBondContact N-O 3.2Å; D545-E606 HydrophobicContact CB-CB 3.88Å; S546-E606 VanDerWaalsContact CB-OE2 3.22Å; S546-E606 WeakPolarHBondContact CB-OE2 3.42Å; S546-E606 PolarHBondContact OG-OE2 3.46Å; T604-E606 PolarHBondContact OG1-N 3.08Å
607	T	97.2	Very high	97.2	Very high	80 Å²	80	45.7 Å²	45.7	49%	0.491	23%	0.228	S	C	.	.			trans	-90.2	-9.5	-180	53	0	0	0	0	113.3	M605 Q635 N638	M605-T607 PolarHBondContact O-N 3.14Å; T607-Q635 PolarHBondContact O-NE2 3.17Å; T607-N638 PolarHBondContact O-ND2 2.83Å
608	Q	97.8	Very high	97.3	Very high	61 Å²	61	45.7 Å²	45.7	29%	0.285	23%	0.228	S	C	.	.			trans	-85	158.8	-176.7	-53.9	-54.1	-71.5	0	0	111.9	S508 D545 N638 L639	S508-Q608 VanDerWaalsContact CB-O 3.27Å; S508-Q608 WeakPolarHBondContact CB-O 3.46Å; D545-Q608 CarbonylContact C-O 3.54Å; D545-Q608 WeakPolarHBondContact CA-O 3.23Å; D545-Q608 CarbonylContact O-C 3.57Å; Q608-N638 VanDerWaalsContact CA-OD1 3.3Å; Q608-N638 WeakPolarHBondContact CA-OD1 3.23Å; Q608-L639 HydrophobicContact CB-CB 4.19Å; Q608-L639 HydrophobicContact CB-CD2 3.91Å; Q608-L639 HydrophobicContact CG-CD2 4.27Å
609	S	98	Very high	97.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.			trans	-148.4	90.9	-177.6	-165.9	0	0	0	0	110.1	F544 D545 L611 Q633 N638	F544-S609 WeakPolarHBondContact CE2-OG 3.46Å; D545-S609 CarbonylContact O-C 3.58Å; D545-S609 VanDerWaalsContact O-CA 3.27Å; D545-S609 WeakPolarHBondContact O-CA 3.47Å; D545-S609 PolarHBondContact O-N 2.84Å; S609-L611 PolarHBondContact O-N 3.4Å; S609-Q633 PolarHBondContact OG-NE2 3.27Å; S609-N638 PolarHBondContact N-OD1 3.38Å; S609-N638 PolarHBondContact O-N 3.46Å
610	A	98.3	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.			trans	-79.1	48.7	-176.5	0	0	0	0	0	113.6	D545 I548 I568 G612 S613 A614 L639	D545-A610 PolarHBondContact O-N 3.02Å; I548-A610 HydrophobicContact CD1-CB 4.38Å; I568-A610 HydrophobicContact CD1-CB 4.46Å; I568-A610 HydrophobicContact CG2-CB 4.48Å; A610-G612 PolarHBondContact O-N 3.02Å; A610-S613 PolarHBondContact O-N 3.48Å; A610-A614 PolarHBondContact O-N 3.41Å; A610-L639 WeakPolarHBondContact CA-O 3.42Å; A610-L639 HydrophobicContact CB-CB 4.45Å; A610-L639 HydrophobicContact CB-CD2 4.48Å
611	L	98.7	Very high	97.5	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-54.8	-44.5	-170.5	176.2	62.8	0	0	0	113.4	F544 S609 S613 A614 L615 V631 Q633 P637 Y669 L698	F544-L611 HydrophobicContact CE1-CD1 4.3Å; F544-L611 HydrophobicContact CE2-CB 3.9Å; F544-L611 HydrophobicContact CE2-CD1 4.03Å; F544-L611 HydrophobicContact CZ-CB 4.36Å; F544-L611 HydrophobicContact CZ-CD1 3.6Å; S609-L611 PolarHBondContact O-N 3.4Å; L611-S613 VanDerWaalsContact C-N 3.34Å; L611-S613 PolarHBondContact O-N 2.85Å; L611-A614 WeakPolarHBondContact O-CB 3.3Å; L611-A614 PolarHBondContact O-N 2.85Å; L611-L615 HydrophobicContact CD1-CD1 4.12Å; L611-L615 HydrophobicContact CD1-CD2 4.25Å; L611-L615 HydrophobicContact CD1-CG 3.88Å; L611-L615 HydrophobicContact CD2-CD1 4.37Å; L611-L615 HydrophobicContact CG-CD1 3.9Å; L611-L615 HydrophobicContact CG-CG 4.13Å; L611-L615 VanDerWaalsContact O-CG 3.28Å; L611-L615 WeakPolarHBondContact O-CG 3.26Å; L611-L615 PolarHBondContact O-N 3.04Å; L611-V631 HydrophobicContact CD1-CG1 3.69Å; L611-Q633 HydrophobicContact CD2-CG 4.25Å; L611-P637 HydrophobicContact CB-CB 3.89Å; L611-P637 HydrophobicContact CB-CG 3.72Å; L611-P637 HydrophobicContact CD2-CG 3.61Å; L611-P637 HydrophobicContact CG-CG 4.28Å; L611-Y669 HydrophobicContact CD2-CE1 4.15Å; L611-L698 HydrophobicContact CD2-CD2 4.16Å
612	G	98.2	Very high	97.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-37.2	-176.2	0	0	0	0	0	112.9	A610 L615 Q616 V641	A610-G612 PolarHBondContact O-N 3.02Å; G612-L615 PolarHBondContact O-N 3.34Å; G612-Q616 PolarHBondContact O-N 3.04Å; G612-V641 VanDerWaalsContact CA-O 3.26Å; G612-V641 WeakPolarHBondContact CA-O 3.18Å
613	S	98.3	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-40.6	171.9	-54.1	0	0	0	0	111.5	I568 A610 L611 Q616 A617	I568-S613 WeakPolarHBondContact O-CB 3.42Å; I568-S613 PolarHBondContact O-OG 3.49Å; A610-S613 PolarHBondContact O-N 3.48Å; L611-S613 VanDerWaalsContact C-N 3.34Å; L611-S613 PolarHBondContact O-N 2.85Å; S613-Q616 PolarHBondContact O-N 3.32Å; S613-A617 PolarHBondContact O-N 2.91Å
614	A	98.6	Very high	97.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-39	173.4	0	0	0	0	0	112.9	V504 F544 I548 A610 L611 A617 A618	V504-A614 HydrophobicContact CG1-CB 4.04Å; F544-A614 HydrophobicContact CB-CB 3.91Å; F544-A614 HydrophobicContact CD1-CB 3.71Å; F544-A614 HydrophobicContact CD2-CB 4.09Å; F544-A614 HydrophobicContact CE1-CB 4.29Å; F544-A614 HydrophobicContact CG-CB 3.61Å; I548-A614 HydrophobicContact CD1-CB 3.79Å; A610-A614 PolarHBondContact O-N 3.41Å; L611-A614 WeakPolarHBondContact O-CB 3.3Å; L611-A614 PolarHBondContact O-N 2.85Å; A614-A617 WeakPolarHBondContact O-CB 3.3Å; A614-A617 PolarHBondContact O-N 3.49Å; A614-A618 VanDerWaalsContact O-CB 3.3Å; A614-A618 WeakPolarHBondContact O-CB 3.28Å; A614-A618 PolarHBondContact O-N 3.21Å
615	L	98.7	Very high	97.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-68	-37.2	175.3	-68	172.5	0	0	0	111.9	L611 G612 A618 F619 M629 V631 Y669 L672 V683 I701	L611-L615 HydrophobicContact CD1-CD1 4.12Å; L611-L615 HydrophobicContact CD1-CD2 4.25Å; L611-L615 HydrophobicContact CD1-CG 3.88Å; L611-L615 HydrophobicContact CD2-CD1 4.37Å; L611-L615 HydrophobicContact CG-CD1 3.9Å; L611-L615 HydrophobicContact CG-CG 4.13Å; L611-L615 VanDerWaalsContact O-CG 3.28Å; L611-L615 WeakPolarHBondContact O-CG 3.26Å; L611-L615 PolarHBondContact O-N 3.04Å; G612-L615 PolarHBondContact O-N 3.34Å; L615-A618 PolarHBondContact O-N 2.81Å; L615-F619 WeakPolarHBondContact O-CB 3.49Å; L615-F619 PolarHBondContact O-N 2.99Å; L615-M629 HydrophobicContact CD2-SD 3.69Å; L615-V631 HydrophobicContact CD2-CG1 4.29Å; L615-V631 HydrophobicContact CD2-CG2 3.6Å; L615-Y669 HydrophobicContact CD1-CD1 3.93Å; L615-Y669 HydrophobicContact CD1-CE1 3.75Å; L615-L672 HydrophobicContact CB-CD2 3.57Å; L615-V683 HydrophobicContact CD2-CG1 4.36Å; L615-I701 HydrophobicContact CD1-CD1 4.32Å; L615-I701 HydrophobicContact CD1-CG1 4.23Å
616	Q	98.2	Very high	97.8	Very high	54 Å²	54	27.6 Å²	27.6	25%	0.252	15%	0.148	S	C	.	.	H	α-helix	trans	-66.7	-42.1	173.1	-77.3	-172.9	-8.8	0	0	112.1	I571 G612 S613 F619 K620 F668 L672	I571-Q616 HydrophobicContact CD1-CB 4.1Å; I571-Q616 VanDerWaalsContact CD1-OE1 3.28Å; G612-Q616 PolarHBondContact O-N 3.04Å; S613-Q616 PolarHBondContact O-N 3.32Å; Q616-F619 PolarHBondContact O-N 3.4Å; Q616-K620 WeakPolarHBondContact O-CG 3.32Å; Q616-K620 PolarHBondContact O-N 3.11Å; Q616-F668 HydrophobicContact CG-CZ 4.24Å; Q616-L672 HydrophobicContact CG-CD2 4.33Å
617	A	98.1	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-55	-52.2	171	0	0	0	0	0	111.2	I542 I548 F550 I571 S613 A614 F619 K620 L621	I542-A617 HydrophobicContact CD1-CB 4.26Å; I548-A617 HydrophobicContact CG2-CB 4.19Å; F550-A617 HydrophobicContact CE1-CB 3.99Å; F550-A617 HydrophobicContact CZ-CB 3.72Å; I571-A617 HydrophobicContact CG2-CB 3.65Å; S613-A617 PolarHBondContact O-N 2.91Å; A614-A617 WeakPolarHBondContact O-CB 3.3Å; A614-A617 PolarHBondContact O-N 3.49Å; A617-F619 VanDerWaalsContact C-N 3.34Å; A617-F619 PolarHBondContact O-N 2.91Å; A617-K620 PolarHBondContact O-N 3.48Å; A617-L621 WeakPolarHBondContact O-CB 3.28Å; A617-L621 PolarHBondContact O-N 2.91Å
618	A	98.4	Very high	97.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.1	-36.2	-178.3	0	0	0	0	0	112.9	L502 V504 I542 A614 L615 L622 M629	L502-A618 HydrophobicContact CD2-CB 3.61Å; V504-A618 HydrophobicContact CG2-CB 3.79Å; I542-A618 HydrophobicContact CD1-CB 4.02Å; A614-A618 VanDerWaalsContact O-CB 3.3Å; A614-A618 WeakPolarHBondContact O-CB 3.28Å; A614-A618 PolarHBondContact O-N 3.21Å; L615-A618 PolarHBondContact O-N 2.81Å; A618-L622 WeakPolarHBondContact O-CB 3.34Å; A618-L622 WeakPolarHBondContact O-CG 3.41Å; A618-L622 PolarHBondContact O-N 3.44Å; A618-M629 HydrophobicContact CB-CE 3.48Å; A618-M629 VanDerWaalsContact CB-CE 3.48Å; A618-M629 HydrophobicContact CB-CG 4.18Å; A618-M629 HydrophobicContact CB-SD 3.62Å
619	F	98.3	Very high	97.9	Very high	37 Å²	37	17.4 Å²	17.4	16%	0.162	9%	0.094	C	C	.	.	H	α-helix	trans	-67.2	-48.8	172.5	171	-112.5	0	0	0	112.3	L615 Q616 A617 L621 L622 S623 L672 D675 C676 Q679	L615-F619 WeakPolarHBondContact O-CB 3.49Å; L615-F619 PolarHBondContact O-N 2.99Å; Q616-F619 PolarHBondContact O-N 3.4Å; A617-F619 VanDerWaalsContact C-N 3.34Å; A617-F619 PolarHBondContact O-N 2.91Å; F619-L621 PolarHBondContact O-N 3.34Å; F619-L622 PolarHBondContact O-N 3.19Å; F619-S623 WeakPolarHBondContact O-CB 3.41Å; F619-S623 PolarHBondContact O-N 3.22Å; F619-L672 HydrophobicContact CB-CD1 3.92Å; F619-L672 HydrophobicContact CD1-CD1 3.92Å; F619-L672 HydrophobicContact CG-CD1 3.9Å; F619-D675 HydrophobicContact CE1-CB 4.16Å; F619-D675 HydrophobicContact CE2-CB 4.14Å; F619-D675 HydrophobicContact CZ-CB 3.75Å; F619-C676 HydrophobicContact CD2-CB 4.41Å; F619-C676 VanDerWaalsContact CD2-SG 3.51Å; F619-Q679 HydrophobicContact CE2-CB 4.07Å; F619-Q679 HydrophobicContact CE2-CG 3.71Å; F619-Q679 HydrophobicContact CZ-CG 3.9Å
620	K	97.5	Very high	98	Very high	89 Å²	89	17.4 Å²	17.4	39%	0.387	9%	0.094	S	C	.	.	H	α-helix	trans	-54.9	-40.5	175.5	-74.2	-176.8	-177	-176.9	0	110.6	I571 L573 Q616 A617	I571-K620 PolarHBondContact O-NZ 3.14Å; L573-K620 HydrophobicContact CD1-CB 4.06Å; L573-K620 HydrophobicContact CD2-CB 4.46Å; L573-K620 HydrophobicContact CG-CB 4.28Å; Q616-K620 WeakPolarHBondContact O-CG 3.32Å; Q616-K620 PolarHBondContact O-N 3.11Å; A617-K620 PolarHBondContact O-N 3.48Å
621	L	97.9	Very high	98	Very high	9 Å²	9	17.4 Å²	17.4	5%	0.047	10%	0.095	C	C	.	.	H	α-helix	trans	-71.4	-41	-179.4	-176.2	58.1	0	0	0	113.6	L502 I542 L573 L579 L580 A617 F619 P624	L502-L621 HydrophobicContact CD1-CD2 4.25Å; L502-L621 HydrophobicContact CD2-CD2 4.12Å; I542-L621 HydrophobicContact CD1-CD2 4.35Å; L573-L621 HydrophobicContact CD1-CB 4.17Å; L573-L621 HydrophobicContact CD1-CD1 4.27Å; L573-L621 HydrophobicContact CD2-CB 4.11Å; L579-L621 HydrophobicContact CB-CD1 3.97Å; L579-L621 HydrophobicContact CB-CD2 4.08Å; L579-L621 HydrophobicContact CD1-CD1 4.47Å; L580-L621 HydrophobicContact CD1-CD1 4.01Å; L580-L621 HydrophobicContact CD1-CG 3.82Å; L580-L621 WeakPolarHBondContact CD1-O 3.27Å; L580-L621 HydrophobicContact CG-CD1 3.97Å; L580-L621 HydrophobicContact CG-CD2 4.19Å; L580-L621 HydrophobicContact CG-CG 3.85Å; A617-L621 WeakPolarHBondContact O-CB 3.28Å; A617-L621 PolarHBondContact O-N 2.91Å; F619-L621 PolarHBondContact O-N 3.34Å; L621-P624 WeakPolarHBondContact O-CD 3.26Å
622	L	97.9	Very high	98	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-82.5	-19.8	178.9	-72.9	174.5	0	0	0	114.4	V500 L502 L580 A618 F619 P624 T625 G626 M629 V681	V500-L622 HydrophobicContact CB-CD2 4.47Å; V500-L622 HydrophobicContact CG1-CD2 3.58Å; L502-L622 HydrophobicContact CB-CD1 4.02Å; L502-L622 HydrophobicContact CB-CD2 4.08Å; L502-L622 HydrophobicContact CB-CG 4.2Å; L502-L622 HydrophobicContact CD2-CD1 3.95Å; L502-L622 HydrophobicContact CD2-CD2 4.38Å; L502-L622 HydrophobicContact CD2-CG 3.78Å; L580-L622 HydrophobicContact CD1-CD2 4.17Å; L580-L622 HydrophobicContact CD2-CD2 4.41Å; A618-L622 WeakPolarHBondContact O-CB 3.34Å; A618-L622 WeakPolarHBondContact O-CG 3.41Å; A618-L622 PolarHBondContact O-N 3.44Å; F619-L622 PolarHBondContact O-N 3.19Å; L622-P624 VanDerWaalsContact C-N 3.31Å; L622-P624 VanDerWaalsContact O-N 3.11Å; L622-T625 PolarHBondContact O-N 3.39Å; L622-T625 VanDerWaalsContact O-N 3.07Å; L622-T625 PolarHBondContact O-OG1 3.09Å; L622-G626 PolarHBondContact O-N 3.37Å; L622-M629 HydrophobicContact CD1-CB 3.91Å; L622-M629 HydrophobicContact CD1-CE 4.16Å; L622-M629 HydrophobicContact CD1-CG 4.49Å; L622-V681 HydrophobicContact CB-CG1 4.46Å; L622-V681 HydrophobicContact CB-CG2 3.61Å; L622-V681 HydrophobicContact CD1-CG1 3.69Å; L622-V681 HydrophobicContact CD1-CG2 4.29Å
623	S	96.9	Very high	98	Very high	32 Å²	32	17.3 Å²	17.3	22%	0.224	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-32.6	-173.7	-176.7	0	0	0	0	116.1	F619 Q679	F619-S623 WeakPolarHBondContact O-CB 3.41Å; F619-S623 PolarHBondContact O-N 3.22Å; S623-Q679 WeakPolarHBondContact OG-CG 3.48Å
624	P	96	Very high	98	Very high	103 Å²	103	17.4 Å²	17.4	67%	0.669	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-33	178	-22.6	35.3	0	0	0	113.8	L621 L622	L621-P624 WeakPolarHBondContact O-CD 3.26Å; L622-P624 VanDerWaalsContact C-N 3.31Å; L622-P624 VanDerWaalsContact O-N 3.11Å
625	T	95.9	Very high	98	Very high	34 Å²	34	19 Å²	19	21%	0.209	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-35.6	-174	51.3	0	0	0	0	113.5	R494 Q497 V500 L622	R494-T625 VanDerWaalsContact CZ-O 3.29Å; R494-T625 PolarHBondContact NH1-O 3.46Å; R494-T625 PolarHBondContact NH2-O 3.03Å; Q497-T625 PolarHBondContact OE1-O 2.74Å; V500-T625 HydrophobicContact CG2-CG2 4.49Å; L622-T625 PolarHBondContact O-N 3.39Å; L622-T625 VanDerWaalsContact O-N 3.07Å; L622-T625 PolarHBondContact O-OG1 3.09Å
626	G	97.8	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.			trans	78.6	-177.6	-151.7	0	0	0	0	0	111.2	L622 Q679 Q680	L622-G626 PolarHBondContact O-N 3.37Å; G626-Q679 WeakPolarHBondContact CA-O 3.48Å; G626-Q679 PolarHBondContact N-O 2.95Å; G626-Q680 VanDerWaalsContact CA-O 3.28Å; G626-Q680 WeakPolarHBondContact CA-O 3.29Å
627	G	98	Very high	97.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.9	-168	179.1	0	0	0	0	0	113.9	Q680 V681 A682 N774	G627-Q680 PolarHBondContact N-O 3Å; G627-V681 WeakPolarHBondContact O-CA 3.44Å; G627-A682 PolarHBondContact O-N 2.85Å; G627-N774 PolarHBondContact O-OD1 3.35Å
628	R	98.6	Very high	97.9	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.008	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.9	177.1	-174.3	177.5	72.8	167.9	-8.4	110.9	V500 Y501 L502 D684 Y734 N774	V500-R628 PolarHBondContact O-N 2.91Å; Y501-R628 HydrophobicContact CD1-CB 4.06Å; Y501-R628 HydrophobicContact CE1-CB 4.31Å; Y501-R628 VanDerWaalsContact CE1-NH2 3.27Å; L502-R628 PolarHBondContact N-O 3.17Å; R628-D684 VanDerWaalsContact CD-OD2 3.25Å; R628-D684 WeakPolarHBondContact CD-OD2 3.46Å; R628-D684 WeakPolarHBondContact CG-OD2 3.42Å; R628-Y734 WeakPolarHBondContact CD-OH 3.48Å; R628-Y734 WeakPolarHBondContact CG-OH 3.45Å; R628-Y734 VanDerWaalsContact CZ-CZ 3.47Å; R628-Y734 PolarHBondContact NE-OH 2.9Å; R628-Y734 PolarHBondContact NH1-O 2.88Å; R628-N774 WeakPolarHBondContact CB-OD1 3.29Å
629	M	98.8	Very high	97.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.9	168.9	-167.1	-169.7	-56.5	0	0	109.1	L502 V504 L615 A618 L622 V631 V681 A682 V683 D684	L502-M629 CarbonylContact O-C 3.56Å; L502-M629 WeakPolarHBondContact O-CA 3.49Å; V504-M629 HydrophobicContact CG2-CG 3.8Å; V504-M629 HydrophobicContact CG2-SD 4.31Å; L615-M629 HydrophobicContact CD2-SD 3.69Å; A618-M629 HydrophobicContact CB-CE 3.48Å; A618-M629 VanDerWaalsContact CB-CE 3.48Å; A618-M629 HydrophobicContact CB-CG 4.18Å; A618-M629 HydrophobicContact CB-SD 3.62Å; L622-M629 HydrophobicContact CD1-CB 3.91Å; L622-M629 HydrophobicContact CD1-CE 4.16Å; L622-M629 HydrophobicContact CD1-CG 4.49Å; M629-V631 HydrophobicContact CG-CG2 3.97Å; M629-V631 HydrophobicContact SD-CG2 3.91Å; M629-V681 HydrophobicContact CB-CG1 4.36Å; M629-V681 HydrophobicContact CE-CG1 4.09Å; M629-A682 WeakPolarHBondContact CB-O 3.29Å; M629-A682 PolarHBondContact N-O 3.32Å; M629-V683 HydrophobicContact CB-CB 4.47Å; M629-V683 HydrophobicContact CB-CG1 4.3Å; M629-V683 HydrophobicContact CB-CG2 4.19Å; M629-V683 HydrophobicContact CE-CG2 4.09Å; M629-V683 HydrophobicContact CG-CG1 4.35Å; M629-V683 WeakPolarHBondContact O-CA 3.4Å; M629-V683 HydrophobicContact SD-CG1 3.87Å; M629-V683 HydrophobicContact SD-CG2 4.01Å; M629-D684 PolarHBondContact O-N 2.87Å
630	S	98.9	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.9	-179.6	-39.7	0	0	0	0	108.2	L502 V504 Y734	L502-S630 PolarHBondContact O-N 2.97Å; V504-S630 PolarHBondContact N-O 2.93Å; S630-Y734 PolarHBondContact OG-OH 3.03Å
631	V	98.9	Very high	97.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.2	-170.1	-179.4	0	0	0	0	109.7	V504 L611 L615 M629 V683 D684 L685 F686	V504-V631 HydrophobicContact CB-CG2 4.36Å; V504-V631 WeakPolarHBondContact O-CA 3.21Å; L611-V631 HydrophobicContact CD1-CG1 3.69Å; L615-V631 HydrophobicContact CD2-CG1 4.29Å; L615-V631 HydrophobicContact CD2-CG2 3.6Å; M629-V631 HydrophobicContact CG-CG2 3.97Å; M629-V631 HydrophobicContact SD-CG2 3.91Å; V631-V683 HydrophobicContact CG2-CG1 3.5Å; V631-D684 PolarHBondContact N-O 2.66Å; V631-L685 HydrophobicContact CB-CD1 4.28Å; V631-L685 HydrophobicContact CG1-CD1 3.99Å; V631-F686 PolarHBondContact O-N 2.73Å
632	F	98.8	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.7	179	-63.1	-104.4	0	0	0	108.8	F503 V504 L505 D506 Y516 F520 F686 L688 F727 L731	F503-F632 HydrophobicContact CD1-CE2 4.26Å; V504-F632 PolarHBondContact O-N 3.31Å; L505-F632 HydrophobicContact CD2-CB 4.12Å; L505-F632 HydrophobicContact CD2-CD2 3.45Å; L505-F632 VanDerWaalsContact CD2-CD2 3.45Å; L505-F632 HydrophobicContact CD2-CE2 4.11Å; L505-F632 HydrophobicContact CD2-CG 3.93Å; D506-F632 WeakPolarHBondContact CB-O 3.44Å; D506-F632 PolarHBondContact N-O 2.9Å; Y516-F632 HydrophobicContact CD2-CB 4.5Å; Y516-F632 HydrophobicContact CD2-CD1 4.27Å; Y516-F632 HydrophobicContact CE2-CB 3.56Å; Y516-F632 AromaticContact CE2-CD1 3.96Å; Y516-F632 HydrophobicContact CE2-CD1 3.96Å; Y516-F632 HydrophobicContact CE2-CG 4.01Å; F520-F632 HydrophobicContact CD2-CD1 4.4Å; F520-F632 AromaticContact CD2-CE1 3.77Å; F520-F632 HydrophobicContact CD2-CE1 3.77Å; F520-F632 HydrophobicContact CD2-CE2 4Å; F520-F632 AromaticContact CD2-CZ 3.54Å; F520-F632 HydrophobicContact CD2-CZ 3.54Å; F520-F632 HydrophobicContact CE2-CD2 4.48Å; F520-F632 HydrophobicContact CE2-CE1 4.28Å; F520-F632 AromaticContact CE2-CE2 3.7Å; F520-F632 HydrophobicContact CE2-CE2 3.7Å; F520-F632 AromaticContact CE2-CZ 3.58Å; F520-F632 HydrophobicContact CE2-CZ 3.58Å; F632-F686 WeakPolarHBondContact CA-O 3.39Å; F632-F686 HydrophobicContact CD1-CB 3.59Å; F632-F686 HydrophobicContact CD1-CD1 4.5Å; F632-F686 HydrophobicContact CD1-CD2 4.31Å; F632-F686 AromaticContact CD1-CG 3.91Å; F632-F686 HydrophobicContact CD1-CG 3.91Å; F632-F686 HydrophobicContact CE1-CB 3.83Å; F632-F686 AromaticContact CE1-CD1 3.9Å; F632-F686 HydrophobicContact CE1-CD1 3.9Å; F632-F686 AromaticContact CE1-CD2 3.83Å; F632-F686 HydrophobicContact CE1-CD2 3.83Å; F632-F686 HydrophobicContact CE1-CE1 4.45Å; F632-F686 HydrophobicContact CE1-CE2 4.38Å; F632-F686 AromaticContact CE1-CG 3.57Å; F632-F686 HydrophobicContact CE1-CG 3.57Å; F632-F686 HydrophobicContact CE2-CD2 4.14Å; F632-F686 HydrophobicContact CG-CB 4.12Å; F632-F686 HydrophobicContact CZ-CD1 4.44Å; F632-F686 AromaticContact CZ-CD2 3.72Å; F632-F686 HydrophobicContact CZ-CD2 3.72Å; F632-F686 AromaticContact CZ-CE2 4Å; F632-F686 HydrophobicContact CZ-CE2 4Å; F632-F686 AromaticContact CZ-CG 3.98Å; F632-F686 HydrophobicContact CZ-CG 3.98Å; F632-F686 HydrophobicContact CZ-CZ 4.47Å; F632-L688 HydrophobicContact CB-CD1 4.47Å; F632-L688 HydrophobicContact CD1-CD1 4.21Å; F632-F727 HydrophobicContact CD1-CE2 4.23Å; F632-F727 HydrophobicContact CD1-CZ 4.07Å; F632-F727 AromaticContact CE1-CE2 3.8Å; F632-F727 HydrophobicContact CE1-CE2 3.8Å; F632-F727 AromaticContact CE1-CZ 3.74Å; F632-F727 HydrophobicContact CE1-CZ 3.74Å; F632-L731 HydrophobicContact CZ-CD1 4.22Å
633	Q	98.6	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.9	-174.5	-173.6	67.6	26.3	0	0	109.8	F544 S609 L611 Q635 L685 F686 L687 L688	F544-Q633 VanDerWaalsContact CZ-OE1 3.24Å; S609-Q633 PolarHBondContact OG-NE2 3.27Å; L611-Q633 HydrophobicContact CD2-CG 4.25Å; Q633-Q635 VanDerWaalsContact CG-O 3.31Å; Q633-Q635 WeakPolarHBondContact CG-O 3.08Å; Q633-Q635 PolarHBondContact NE2-O 2.73Å; Q633-L685 HydrophobicContact CB-CD1 4.32Å; Q633-F686 PolarHBondContact N-O 3.5Å; Q633-L687 HydrophobicContact CB-CD1 4.4Å; Q633-L687 HydrophobicContact CG-CD1 4.4Å; Q633-L687 WeakPolarHBondContact O-CA 3.46Å; Q633-L688 PolarHBondContact O-N 3.16Å
634	T	98.1	Very high	97.7	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	13%	0.129	C	C	.	.			trans	-119.5	-19	-175.3	72.2	0	0	0	0	114.3	D506 N510 A511 Y516 L688 S689	D506-T634 WeakPolarHBondContact OD2-CB 3.43Å; D506-T634 PolarHBondContact OD2-N 2.97Å; D506-T634 PolarHBondContact OD2-OG1 2.88Å; N510-T634 WeakPolarHBondContact ND2-CB 3.12Å; N510-T634 PolarHBondContact ND2-O 2.85Å; N510-T634 PolarHBondContact ND2-OG1 2.61Å; A511-T634 VanDerWaalsContact CA-OG1 3.22Å; A511-T634 WeakPolarHBondContact CA-OG1 3.5Å; A511-T634 HydrophobicContact CB-CG2 3.64Å; A511-T634 VanDerWaalsContact CB-OG1 3.23Å; A511-T634 WeakPolarHBondContact CB-OG1 3.31Å; A511-T634 PolarHBondContact N-OG1 2.79Å; Y516-T634 HydrophobicContact CD1-CG2 3.87Å; Y516-T634 HydrophobicContact CE1-CG2 3.84Å; T634-L688 HydrophobicContact CG2-CB 4.42Å; T634-S689 VanDerWaalsContact O-CA 3.31Å; T634-S689 WeakPolarHBondContact O-CA 3.48Å; T634-S689 WeakPolarHBondContact O-CB 3.39Å
635	Q	97.1	Very high	97.8	Very high	35 Å²	35	23 Å²	23	16%	0.164	13%	0.132	C	C	.	.	S	Bend	trans	-137	175.5	178	56	165.8	-23.9	0	0	112.6	S508 N510 T607 Q633	S508-Q635 PolarHBondContact OG-NE2 3.31Å; N510-Q635 HydrophobicContact CB-CG 4.44Å; T607-Q635 PolarHBondContact O-NE2 3.17Å; Q633-Q635 VanDerWaalsContact CG-O 3.31Å; Q633-Q635 WeakPolarHBondContact CG-O 3.08Å; Q633-Q635 PolarHBondContact NE2-O 2.73Å
636	L	98.1	Very high	97.8	Very high	28 Å²	28	25.4 Å²	25.4	15%	0.147	15%	0.15	C	C	.	.			trans	-67.7	127.8	174.2	-172.7	74.1	0	0	0	109.7	N638 L644 C693 D694	L636-N638 PolarHBondContact O-N 3.13Å; L636-L644 HydrophobicContact CD1-CB 3.71Å; L636-L644 HydrophobicContact CD1-CD1 4.06Å; L636-L644 HydrophobicContact CD2-CB 4.32Å; L636-L644 HydrophobicContact CG-CB 3.99Å; L636-C693 VanDerWaalsContact CD1-C 3.41Å; L636-C693 WeakPolarHBondContact CD1-O 3.32Å; L636-C693 PolarHBondContact N-SG 3.01Å; L636-C693 VanDerWaalsContact N-SG 3.42Å; L636-D694 HydrophobicContact CD1-CB 3.86Å
637	P	98.2	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.159	C	C	.	.			trans	-59.8	124.3	174.4	-25.8	36.1	0	0	0	111.3	L611 L644 L698	L611-P637 HydrophobicContact CB-CB 3.89Å; L611-P637 HydrophobicContact CB-CG 3.72Å; L611-P637 HydrophobicContact CD2-CG 3.61Å; L611-P637 HydrophobicContact CG-CG 4.28Å; P637-L644 PolarHBondContact O-N 3.03Å; P637-L698 HydrophobicContact CG-CD1 4.46Å; P637-L698 HydrophobicContact CG-CD2 3.94Å
638	N	97.2	Very high	97.4	Very high	56 Å²	56	28.8 Å²	28.8	30%	0.299	16%	0.164	S	C	.	.			trans	-123	-6	-167.5	57.6	10.6	0	0	0	114	T607 Q608 S609 L636	T607-N638 PolarHBondContact O-ND2 2.83Å; Q608-N638 VanDerWaalsContact CA-OD1 3.3Å; Q608-N638 WeakPolarHBondContact CA-OD1 3.23Å; S609-N638 PolarHBondContact N-OD1 3.38Å; S609-N638 PolarHBondContact O-N 3.46Å; L636-N638 PolarHBondContact O-N 3.13Å
639	L	97.8	Very high	96.8	Very high	52 Å²	52	31.5 Å²	31.5	27%	0.272	18%	0.179	S	C	.	.	S	Bend	trans	-132.9	150.2	-177.8	-169.7	67.9	0	0	0	111.9	I568 Q608 A610	I568-L639 HydrophobicContact CD1-CD1 4.32Å; I568-L639 HydrophobicContact CD1-CD2 3.71Å; I568-L639 HydrophobicContact CD1-CG 3.59Å; Q608-L639 HydrophobicContact CB-CB 4.19Å; Q608-L639 HydrophobicContact CB-CD2 3.91Å; Q608-L639 HydrophobicContact CG-CD2 4.27Å; A610-L639 WeakPolarHBondContact CA-O 3.42Å; A610-L639 HydrophobicContact CB-CB 4.45Å; A610-L639 HydrophobicContact CB-CD2 4.48Å
640	G	96.6	Very high	96.2	Very high	18 Å²	18	34.8 Å²	34.8	19%	0.186	20%	0.2	C	C	.	.	S	Bend	trans	71.1	-167.7	174.5	0	0	0	0	0	114.9	G642 A643	G640-G642 PolarHBondContact O-N 2.88Å; G640-A643 VanDerWaalsContact O-CB 3.3Å; G640-A643 WeakPolarHBondContact O-CB 3.28Å; G640-A643 PolarHBondContact O-N 3.36Å
641	V	96.4	Very high	95.4	Very high	35 Å²	35	41.1 Å²	41.1	21%	0.212	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	137.1	179	-63.4	0	0	0	0	111.6	G612 A643 F668	G612-V641 VanDerWaalsContact CA-O 3.26Å; G612-V641 WeakPolarHBondContact CA-O 3.18Å; V641-A643 VanDerWaalsContact C-N 3.26Å; V641-A643 PolarHBondContact O-N 3.09Å; V641-F668 HydrophobicContact CB-CE2 3.9Å; V641-F668 HydrophobicContact CB-CZ 4.35Å; V641-F668 HydrophobicContact CG2-CE2 3.73Å; V641-F668 HydrophobicContact CG2-CZ 3.8Å
642	G	96.6	Very high	94.4	Very high	15 Å²	15	44.7 Å²	44.7	16%	0.155	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	8	-179.6	0	0	0	0	0	115.6	G640 Y669	G640-G642 PolarHBondContact O-N 2.88Å; G642-Y669 VanDerWaalsContact O-CE2 3.28Å; G642-Y669 WeakPolarHBondContact O-CE2 3.28Å; G642-Y669 PolarHBondContact O-OH 2.89Å
643	A	97.8	Very high	93.6	Very high	39 Å²	39	48 Å²	48	32%	0.322	26%	0.263	S	S	.	.			trans	-54.8	148.4	167.9	0	0	0	0	0	112.1	G640 V641	G640-A643 VanDerWaalsContact O-CB 3.3Å; G640-A643 WeakPolarHBondContact O-CB 3.28Å; G640-A643 PolarHBondContact O-N 3.36Å; V641-A643 VanDerWaalsContact C-N 3.26Å; V641-A643 PolarHBondContact O-N 3.09Å
644	L	98.1	Very high	92.3	Very high	8 Å²	8	50 Å²	50	4%	0.042	28%	0.28	C	S	.	.			trans	-124.9	160.1	-170.3	-59.3	-177	0	0	0	111.7	L636 P637 A665 T666 Y669 D694 T697 L698	L636-L644 HydrophobicContact CD1-CB 3.71Å; L636-L644 HydrophobicContact CD1-CD1 4.06Å; L636-L644 HydrophobicContact CD2-CB 4.32Å; L636-L644 HydrophobicContact CG-CB 3.99Å; P637-L644 PolarHBondContact O-N 3.03Å; L644-A665 HydrophobicContact CD2-CB 4.3Å; L644-T666 HydrophobicContact CD2-CG2 3.79Å; L644-Y669 HydrophobicContact CD1-CE2 4.37Å; L644-Y669 HydrophobicContact CD2-CE2 4.21Å; L644-Y669 HydrophobicContact CG-CE2 4.43Å; L644-D694 HydrophobicContact CD1-CB 4.02Å; L644-T697 HydrophobicContact CD1-CG2 3.93Å; L644-T697 HydrophobicContact CD2-CG2 3.76Å; L644-L698 HydrophobicContact CD1-CD2 3.67Å; L644-L698 HydrophobicContact CD1-CG 4.18Å
645	Q	96.8	Very high	90.6	Very high	158 Å²	158	54.4 Å²	54.4	74%	0.738	31%	0.311	S	S	*	.			trans	-113.4	145.1	177.8	-65.9	-62	-35	0	0	110.4	R647	Q645-R647 VanDerWaalsContact C-N 3.29Å; Q645-R647 PolarHBondContact O-N 3.2Å
646	S	96.1	Very high	89	Confident	84 Å²	84	54.4 Å²	54.4	59%	0.587	32%	0.317	S	S	*	.			trans	-72.5	81.3	-179.1	-178.7	0	0	0	0	111.6
647	R	95.4	Very high	87.6	Confident	50 Å²	50	61.9 Å²	61.9	19%	0.189	35%	0.348	C	S	.	.			trans	-86	-8.5	-175.4	62.7	-173.8	-178.1	134.6	12.2	116	Q645 D649 H661 S663 Y692 D694 T697	Q645-R647 VanDerWaalsContact C-N 3.29Å; Q645-R647 PolarHBondContact O-N 3.2Å; R647-D649 PolarHBondContact O-N 2.88Å; R647-H661 HydrophobicContact CG-CB 4.15Å; R647-H661 PolarHBondContact NH2-O 3.21Å; R647-H661 PolarHBondContact O-CD2 2.99Å; R647-H661 PolarHBondContact O-NE2 2.98Å; R647-S663 VanDerWaalsContact CZ-O 3.31Å; R647-S663 PolarHBondContact NH1-O 3.28Å; R647-S663 PolarHBondContact NH2-O 2.93Å; R647-Y692 HydrophobicContact CG-CE1 4.15Å; R647-Y692 WeakPolarHBondContact CG-OH 3.19Å; R647-Y692 PolarHBondContact NE-OH 3.44Å; R647-D694 IonicContact CZ-OD1 3.59Å; R647-D694 IonicContact CZ-OD2 3.36Å; R647-D694 VanDerWaalsContact CZ-OD2 3.29Å; R647-D694 VanDerWaalsContact NE-CG 3.35Å; R647-D694 IonicContact NE-OD1 3.31Å; R647-D694 PolarHBondContact NE-OD1 2.93Å; R647-D694 IonicContact NE-OD2 2.71Å; R647-D694 PolarHBondContact NE-OD2 2.82Å; R647-D694 VanDerWaalsContact NH2-CG 3.31Å; R647-D694 IonicContact NH2-OD1 3.41Å; R647-D694 PolarHBondContact NH2-OD1 3.08Å; R647-D694 IonicContact NH2-OD2 3.09Å; R647-D694 PolarHBondContact NH2-OD2 3.28Å; R647-D694 VanDerWaalsContact NH2-OD2 3.08Å; R647-T697 PolarHBondContact NH2-OG1 3.4Å
648	E	92.7	Very high	86.6	Confident	21 Å²	21	65.5 Å²	65.5	10%	0.098	37%	0.367	C	S	.	.			trans	-76.7	119.8	173	-171.8	-170.4	-156.2	0	0	110.9	P650 R653 Y692 L916	E648-P650 WeakPolarHBondContact O-CD 3.42Å; E648-R653 VanDerWaalsContact CD-NE 3.29Å; E648-R653 VanDerWaalsContact CD-NH2 3.3Å; E648-R653 IonicContact OE1-CZ 3.57Å; E648-R653 IonicContact OE1-NE 3.45Å; E648-R653 PolarHBondContact OE1-NE 2.63Å; E648-R653 IonicContact OE1-NH2 2.68Å; E648-R653 IonicContact OE2-CZ 2.84Å; E648-R653 IonicContact OE2-NE 3.82Å; E648-R653 IonicContact OE2-NH2 2.89Å; E648-R653 PolarHBondContact OE2-NH2 3.26Å; E648-Y692 HydrophobicContact CB-CD1 3.89Å; E648-Y692 HydrophobicContact CB-CD2 3.83Å; E648-Y692 HydrophobicContact CB-CE1 3.9Å; E648-Y692 HydrophobicContact CB-CE2 3.87Å; E648-Y692 HydrophobicContact CB-CG 3.84Å; E648-L916 HydrophobicContact CG-CB 4.1Å; E648-L916 WeakPolarHBondContact OE1-CB 3.47Å; E648-L916 PolarHBondContact OE1-N 2.98Å
649	D	86.2	Confident	86	Confident	60 Å²	60	64.5 Å²	64.5	32%	0.321	36%	0.363	S	S	.	.			trans	-84.2	114.7	165.5	-179.7	-4.6	0	0	0	110.5	R647 N651 Q652	R647-D649 PolarHBondContact O-N 2.88Å; D649-N651 PolarHBondContact O-N 2.97Å; D649-N651 VanDerWaalsContact O-N 3.16Å; D649-N651 WeakPolarHBondContact OD1-CB 3.25Å; D649-N651 PolarHBondContact OD1-N 2.71Å; D649-N651 PolarHBondContact OD1-ND2 2.92Å; D649-Q652 HydrophobicContact CB-CB 4.49Å; D649-Q652 HydrophobicContact CB-CG 4.32Å; D649-Q652 PolarHBondContact O-N 3.4Å; D649-Q652 WeakPolarHBondContact OD2-CG 3.15Å; D649-Q652 PolarHBondContact OD2-NE2 2.83Å
650	P	85.2	Confident	85.6	Confident	70 Å²	70	67 Å²	67	46%	0.455	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.6	177.6	-28.4	38.5	0	0	0	115.1	E648 R653	E648-P650 WeakPolarHBondContact O-CD 3.42Å; P650-R653 WeakPolarHBondContact O-CG 2.92Å
651	N	83.6	Confident	85.4	Confident	133 Å²	133	69.5 Å²	69.5	71%	0.711	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-28.2	-172.1	-55.8	-74.5	0	0	0	112.4	D649	D649-N651 PolarHBondContact O-N 2.97Å; D649-N651 VanDerWaalsContact O-N 3.16Å; D649-N651 WeakPolarHBondContact OD1-CB 3.25Å; D649-N651 PolarHBondContact OD1-N 2.71Å; D649-N651 PolarHBondContact OD1-ND2 2.92Å
652	Q	78.3	Confident	85.2	Confident	76 Å²	76	68.6 Å²	68.6	36%	0.355	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-12.7	-177.8	-66.5	-179.6	57.9	0	0	113.1	D649 A654 S655 A656	D649-Q652 HydrophobicContact CB-CB 4.49Å; D649-Q652 HydrophobicContact CB-CG 4.32Å; D649-Q652 PolarHBondContact O-N 3.4Å; D649-Q652 WeakPolarHBondContact OD2-CG 3.15Å; D649-Q652 PolarHBondContact OD2-NE2 2.83Å; Q652-A654 PolarHBondContact O-N 2.83Å; Q652-S655 PolarHBondContact O-N 2.9Å; Q652-A656 VanDerWaalsContact O-CB 3.26Å; Q652-A656 WeakPolarHBondContact O-CB 3.27Å; Q652-A656 PolarHBondContact O-N 2.87Å; Q652-A656 VanDerWaalsContact O-N 3.07Å
653	R	80.1	Confident	85.1	Confident	68 Å²	68	70.9 Å²	70.9	26%	0.257	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-25.4	-175	-71.3	179.5	178.4	140.2	-1	116.2	E648 P650	E648-R653 VanDerWaalsContact CD-NE 3.29Å; E648-R653 VanDerWaalsContact CD-NH2 3.3Å; E648-R653 IonicContact OE1-CZ 3.57Å; E648-R653 IonicContact OE1-NE 3.45Å; E648-R653 PolarHBondContact OE1-NE 2.63Å; E648-R653 IonicContact OE1-NH2 2.68Å; E648-R653 IonicContact OE2-CZ 2.84Å; E648-R653 IonicContact OE2-NE 3.82Å; E648-R653 IonicContact OE2-NH2 2.89Å; E648-R653 PolarHBondContact OE2-NH2 3.26Å; P650-R653 WeakPolarHBondContact O-CG 2.92Å
654	A	71.3	Confident	85	Confident	44 Å²	44	71.7 Å²	71.7	36%	0.364	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-32.4	-177.4	0	0	0	0	0	113.7	Q652 G911	Q652-A654 PolarHBondContact O-N 2.83Å; A654-G911 WeakPolarHBondContact O-CA 3.26Å
655	S	64.2	Low	85	Confident	93 Å²	93	74 Å²	74	65%	0.65	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-18.7	-171.1	51.5	0	0	0	0	114.1	Q652 K657	Q652-S655 PolarHBondContact O-N 2.9Å; S655-K657 PolarHBondContact O-N 2.83Å
656	A	63.1	Low	85	Confident	35 Å²	35	68.7 Å²	68.7	29%	0.289	39%	0.388	S	S	.	.			trans	-67.2	127.8	-179.5	0	0	0	0	0	111.8	Q652 D658	Q652-A656 VanDerWaalsContact O-CB 3.26Å; Q652-A656 WeakPolarHBondContact O-CB 3.27Å; Q652-A656 PolarHBondContact O-N 2.87Å; Q652-A656 VanDerWaalsContact O-N 3.07Å; A656-D658 VanDerWaalsContact C-N 3.34Å; A656-D658 WeakPolarHBondContact CB-O 3.49Å
657	K	67.8	Low	85.1	Confident	185 Å²	185	68.6 Å²	68.6	80%	0.804	38%	0.381	S	S	*	.	S	Bend	trans	-66.9	-38.8	171.1	-67.4	-176	177.7	-178.2	0	111.3	S655	S655-K657 PolarHBondContact O-N 2.83Å
658	D	76.8	Confident	85.2	Confident	75 Å²	75	67.6 Å²	67.6	40%	0.401	38%	0.378	S	S	.	.	S	Bend	trans	-121.5	139.6	178.2	-69	-64.1	0	0	0	111.1	A656 Q660 S855	A656-D658 VanDerWaalsContact C-N 3.34Å; A656-D658 WeakPolarHBondContact CB-O 3.49Å; D658-Q660 PolarHBondContact O-N 3.33Å; D658-S855 WeakPolarHBondContact OD1-CB 3.39Å
659	V	85.5	Confident	85.5	Confident	35 Å²	35	66.7 Å²	66.7	21%	0.212	37%	0.374	C	S	.	.			trans	-85.2	107.9	-175.3	-175.6	0	0	0	0	109.5	L662 L856 L916	V659-L662 HydrophobicContact CB-CD1 3.9Å; V659-L662 HydrophobicContact CB-CG 4.05Å; V659-L662 HydrophobicContact CG1-CD1 4.28Å; V659-L662 HydrophobicContact CG1-CD2 4.15Å; V659-L662 HydrophobicContact CG1-CG 3.89Å; V659-L856 HydrophobicContact CG2-CD2 3.64Å; V659-L916 HydrophobicContact CG1-CD1 3.88Å
660	Q	89.3	Confident	86.1	Confident	104 Å²	104	68 Å²	68	49%	0.486	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	157.4	175.2	-62	-179.4	37.3	0	0	111.5	D658 L662	D658-Q660 PolarHBondContact O-N 3.33Å; Q660-L662 PolarHBondContact O-N 2.92Å; Q660-L662 VanDerWaalsContact O-N 3.12Å
661	H	92.2	Very high	86.7	Confident	71 Å²	71	70 Å²	70	33%	0.329	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	14.7	172.5	-48.3	-53.4	0	0	0	116.9	R647 S663 L916	R647-H661 HydrophobicContact CG-CB 4.15Å; R647-H661 PolarHBondContact NH2-O 3.21Å; R647-H661 PolarHBondContact O-CD2 2.99Å; R647-H661 PolarHBondContact O-NE2 2.98Å; H661-S663 PolarHBondContact O-N 3.45Å; H661-L916 HydrophobicContact CB-CD2 3.85Å
662	L	92.7	Very high	87.4	Confident	17 Å²	17	64.1 Å²	64.1	9%	0.089	35%	0.347	C	S	.	.			trans	-59.3	-28	168.6	-77.5	177.2	0	0	0	113.7	V659 Q660 S851 L916 V920 M923	V659-L662 HydrophobicContact CB-CD1 3.9Å; V659-L662 HydrophobicContact CB-CG 4.05Å; V659-L662 HydrophobicContact CG1-CD1 4.28Å; V659-L662 HydrophobicContact CG1-CD2 4.15Å; V659-L662 HydrophobicContact CG1-CG 3.89Å; Q660-L662 PolarHBondContact O-N 2.92Å; Q660-L662 VanDerWaalsContact O-N 3.12Å; L662-S851 WeakPolarHBondContact CD1-O 3.39Å; L662-L916 HydrophobicContact CD2-CD1 3.89Å; L662-L916 HydrophobicContact CG-CD1 4.46Å; L662-V920 HydrophobicContact CD2-CG2 4.15Å; L662-M923 HydrophobicContact CD1-CE 4.13Å; L662-M923 HydrophobicContact CD2-CE 4.02Å; L662-M923 HydrophobicContact CD2-SD 4.02Å
663	S	93.9	Very high	88.4	Confident	62 Å²	62	60.5 Å²	60.5	43%	0.434	33%	0.33	S	S	.	.	S	Bend	trans	-82.1	144.4	173.1	-67.8	0	0	0	0	111.4	R647 H661	R647-S663 VanDerWaalsContact CZ-O 3.31Å; R647-S663 PolarHBondContact NH1-O 3.28Å; R647-S663 PolarHBondContact NH2-O 2.93Å; H661-S663 PolarHBondContact O-N 3.45Å
664	P	96.6	Very high	89.3	Confident	56 Å²	56	59.8 Å²	59.8	36%	0.364	33%	0.331	S	S	.	.			trans	-53.1	143.6	176.3	-26.6	34.5	0	0	0	113.4	T697 C700	P664-T697 WeakPolarHBondContact CA-OG1 3.45Å; P664-T697 HydrophobicContact CB-CG2 4.43Å; P664-C700 VanDerWaalsContact CG-SG 3.52Å
665	A	97.4	Very high	90.6	Very high	57 Å²	57	61.7 Å²	61.7	47%	0.471	34%	0.335	S	S	.	.	S	Bend	trans	-71.7	-30.1	175.4	0	0	0	0	0	112.9	L644 T697	L644-A665 HydrophobicContact CD2-CB 4.3Å; A665-T697 PolarHBondContact N-OG1 3Å
666	T	97.5	Very high	92.2	Very high	46 Å²	46	57.3 Å²	57.3	28%	0.282	30%	0.304	S	S	.	.			trans	-144.3	152.1	-179.1	175.7	0	0	0	0	109.8	L644 F668 Y669 T697	L644-T666 HydrophobicContact CD2-CG2 3.79Å; T666-F668 VanDerWaalsContact C-N 3.33Å; T666-F668 HydrophobicContact CG2-CB 4.08Å; T666-F668 PolarHBondContact OG1-N 2.81Å; T666-Y669 HydrophobicContact CG2-CD2 4.14Å; T666-Y669 HydrophobicContact CG2-CE2 4.21Å; T666-T697 HydrophobicContact CG2-CG2 3.84Å
667	D	97.7	Very high	93.8	Very high	82 Å²	82	55.6 Å²	55.6	44%	0.439	29%	0.29	S	S	.	.	S	Bend	trans	-85.8	-2.7	175.4	70	3.6	0	0	0	113.5	Y669 K670 K671	D667-Y669 PolarHBondContact O-N 2.77Å; D667-K670 CarbonylContact O-C 3.57Å; D667-K670 WeakPolarHBondContact O-CA 3.18Å; D667-K670 WeakPolarHBondContact O-CB 3.04Å; D667-K670 PolarHBondContact O-N 3.02Å; D667-K671 PolarHBondContact O-N 2.95Å; D667-K671 WeakPolarHBondContact OD1-CD 3.32Å; D667-K671 VanDerWaalsContact OD1-CE 3.3Å; D667-K671 WeakPolarHBondContact OD1-CE 3.5Å; D667-K671 IonicContact OD1-NZ 2.69Å; D667-K671 PolarHBondContact OD1-NZ 2.79Å; D667-K671 WeakPolarHBondContact OD2-CE 3.35Å; D667-K671 IonicContact OD2-NZ 3.66Å; D667-K671 PolarHBondContact OD2-NZ 3.11Å
668	F	98.4	Very high	95.2	Very high	30 Å²	30	48.4 Å²	48.4	13%	0.132	27%	0.268	C	S	.	.	H	α-helix	trans	-47	-58.2	179.6	174.6	-92.7	0	0	0	113.1	Q616 V641 T666 K670 K671 L672	Q616-F668 HydrophobicContact CG-CZ 4.24Å; V641-F668 HydrophobicContact CB-CE2 3.9Å; V641-F668 HydrophobicContact CB-CZ 4.35Å; V641-F668 HydrophobicContact CG2-CE2 3.73Å; V641-F668 HydrophobicContact CG2-CZ 3.8Å; T666-F668 VanDerWaalsContact C-N 3.33Å; T666-F668 HydrophobicContact CG2-CB 4.08Å; T666-F668 PolarHBondContact OG1-N 2.81Å; F668-K670 PolarHBondContact O-N 3.47Å; F668-K671 PolarHBondContact O-N 2.76Å; F668-L672 HydrophobicContact CE1-CD2 4.31Å; F668-L672 HydrophobicContact CZ-CD2 4.25Å; F668-L672 PolarHBondContact O-N 3.31Å
669	Y	98.7	Very high	96.2	Very high	2 Å²	2	49 Å²	49	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-27	-178.4	-63.6	-87.9	0	0	0	112.6	L611 L615 G642 L644 T666 D667 A673 T697 L698 I701	L611-Y669 HydrophobicContact CD2-CE1 4.15Å; L615-Y669 HydrophobicContact CD1-CD1 3.93Å; L615-Y669 HydrophobicContact CD1-CE1 3.75Å; G642-Y669 VanDerWaalsContact O-CE2 3.28Å; G642-Y669 WeakPolarHBondContact O-CE2 3.28Å; G642-Y669 PolarHBondContact O-OH 2.89Å; L644-Y669 HydrophobicContact CD1-CE2 4.37Å; L644-Y669 HydrophobicContact CD2-CE2 4.21Å; L644-Y669 HydrophobicContact CG-CE2 4.43Å; T666-Y669 HydrophobicContact CG2-CD2 4.14Å; T666-Y669 HydrophobicContact CG2-CE2 4.21Å; D667-Y669 PolarHBondContact O-N 2.77Å; Y669-A673 VanDerWaalsContact O-CB 3.31Å; Y669-A673 WeakPolarHBondContact O-CB 3.22Å; Y669-A673 PolarHBondContact O-N 2.88Å; Y669-T697 HydrophobicContact CD2-CG2 3.62Å; Y669-T697 HydrophobicContact CE2-CG2 3.98Å; Y669-L698 HydrophobicContact CD1-CD2 4.29Å; Y669-L698 HydrophobicContact CE1-CD2 3.66Å; Y669-L698 HydrophobicContact CE2-CD2 4.01Å; Y669-I701 HydrophobicContact CD1-CB 4.4Å; Y669-I701 WeakPolarHBondContact O-CD1 3.3Å
670	K	98.2	Very high	96.8	Very high	87 Å²	87	49.1 Å²	49.1	38%	0.378	27%	0.267	S	S	.	.	H	α-helix	trans	-77.5	-43.3	174.8	177	175.4	178.4	-174.6	0	111.7	D667 F668 A673 L674 C700 Y704	D667-K670 CarbonylContact O-C 3.57Å; D667-K670 WeakPolarHBondContact O-CA 3.18Å; D667-K670 WeakPolarHBondContact O-CB 3.04Å; D667-K670 PolarHBondContact O-N 3.02Å; F668-K670 PolarHBondContact O-N 3.47Å; K670-A673 PolarHBondContact O-N 3.26Å; K670-L674 WeakPolarHBondContact O-CG 3.44Å; K670-L674 PolarHBondContact O-N 3.02Å; K670-C700 HydrophobicContact CB-CB 4.23Å; K670-Y704 HydrophobicContact CB-CD2 4.2Å; K670-Y704 HydrophobicContact CB-CE2 4.31Å; K670-Y704 HydrophobicContact CD-CD2 4.22Å; K670-Y704 HydrophobicContact CD-CE2 3.74Å; K670-Y704 HydrophobicContact CG-CD2 3.7Å; K670-Y704 HydrophobicContact CG-CE2 3.75Å; K670-Y704 HydrophobicContact CG-CG 4.37Å
671	K	98.4	Very high	97.3	Very high	111 Å²	111	44.1 Å²	44.1	48%	0.483	24%	0.244	S	C	.	.	H	α-helix	trans	-58.4	-55	175.2	-76.3	169.9	172.9	153.7	0	110.3	D667 F668 A673 L674 D675	D667-K671 PolarHBondContact O-N 2.95Å; D667-K671 WeakPolarHBondContact OD1-CD 3.32Å; D667-K671 VanDerWaalsContact OD1-CE 3.3Å; D667-K671 WeakPolarHBondContact OD1-CE 3.5Å; D667-K671 IonicContact OD1-NZ 2.69Å; D667-K671 PolarHBondContact OD1-NZ 2.79Å; D667-K671 WeakPolarHBondContact OD2-CE 3.35Å; D667-K671 IonicContact OD2-NZ 3.66Å; D667-K671 PolarHBondContact OD2-NZ 3.11Å; F668-K671 PolarHBondContact O-N 2.76Å; K671-A673 PolarHBondContact O-N 2.83Å; K671-L674 WeakPolarHBondContact O-CA 3.5Å; K671-L674 WeakPolarHBondContact O-CB 3.35Å; K671-L674 PolarHBondContact O-N 3.09Å; K671-D675 PolarHBondContact O-N 3.41Å
672	L	98.6	Very high	97.6	Very high	11 Å²	11	40.8 Å²	40.8	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-33.9	-179.5	-172.6	57.3	0	0	0	112.6	L615 Q616 F619 F668 L674 D675 C676 I701	L615-L672 HydrophobicContact CB-CD2 3.57Å; Q616-L672 HydrophobicContact CG-CD2 4.33Å; F619-L672 HydrophobicContact CB-CD1 3.92Å; F619-L672 HydrophobicContact CD1-CD1 3.92Å; F619-L672 HydrophobicContact CG-CD1 3.9Å; F668-L672 HydrophobicContact CE1-CD2 4.31Å; F668-L672 HydrophobicContact CZ-CD2 4.25Å; F668-L672 PolarHBondContact O-N 3.31Å; L672-L674 VanDerWaalsContact C-N 3.35Å; L672-L674 PolarHBondContact O-N 2.9Å; L672-D675 PolarHBondContact O-N 3.09Å; L672-C676 VanDerWaalsContact O-CB 3.32Å; L672-C676 WeakPolarHBondContact O-CB 3.23Å; L672-C676 PolarHBondContact O-N 2.91Å; L672-C676 PolarHBondContact O-SG 3.38Å; L672-I701 HydrophobicContact CB-CD1 4.01Å; L672-I701 HydrophobicContact CD2-CD1 4.17Å; L672-I701 HydrophobicContact CG-CD1 4.05Å
673	A	98.6	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.5	-34.1	172.7	0	0	0	0	0	113.8	Y669 K670 K671 S677 I701	Y669-A673 VanDerWaalsContact O-CB 3.31Å; Y669-A673 WeakPolarHBondContact O-CB 3.22Å; Y669-A673 PolarHBondContact O-N 2.88Å; K670-A673 PolarHBondContact O-N 3.26Å; K671-A673 PolarHBondContact O-N 2.83Å; A673-S677 WeakPolarHBondContact O-CB 3.47Å; A673-S677 PolarHBondContact O-N 3.02Å; A673-I701 HydrophobicContact CB-CD1 4.3Å; A673-I701 WeakPolarHBondContact CB-O 3.29Å
674	L	98.1	Very high	98.1	Very high	53 Å²	53	37.2 Å²	37.2	28%	0.277	20%	0.204	S	C	.	.	H	α-helix	trans	-71.9	-38	175	-63.9	171.8	0	0	0	111.1	K670 K671 L672 S677 G678 F763	K670-L674 WeakPolarHBondContact O-CG 3.44Å; K670-L674 PolarHBondContact O-N 3.02Å; K671-L674 WeakPolarHBondContact O-CA 3.5Å; K671-L674 WeakPolarHBondContact O-CB 3.35Å; K671-L674 PolarHBondContact O-N 3.09Å; L672-L674 VanDerWaalsContact C-N 3.35Å; L672-L674 PolarHBondContact O-N 2.9Å; L674-S677 CarbonylContact O-C 3.59Å; L674-S677 PolarHBondContact O-N 3.37Å; L674-G678 PolarHBondContact O-N 2.61Å; L674-F763 HydrophobicContact CD2-CB 4.3Å; L674-F763 HydrophobicContact CD2-CD1 4.06Å; L674-F763 HydrophobicContact CD2-CD2 3.31Å; L674-F763 HydrophobicContact CD2-CE1 4.22Å; L674-F763 HydrophobicContact CD2-CE2 3.52Å; L674-F763 HydrophobicContact CD2-CG 3.63Å; L674-F763 HydrophobicContact CD2-CZ 3.98Å
675	D	98.3	Very high	98.2	Very high	84 Å²	84	34.6 Å²	34.6	45%	0.449	19%	0.187	S	C	.	.	H	α-helix	trans	-65.4	-48.7	174.9	-60.1	-43.5	0	0	0	111.1	F619 K671 L672 S677 G678 Q679	F619-D675 HydrophobicContact CE1-CB 4.16Å; F619-D675 HydrophobicContact CE2-CB 4.14Å; F619-D675 HydrophobicContact CZ-CB 3.75Å; K671-D675 PolarHBondContact O-N 3.41Å; L672-D675 PolarHBondContact O-N 3.09Å; D675-S677 VanDerWaalsContact C-N 3.28Å; D675-S677 PolarHBondContact O-N 3.26Å; D675-G678 WeakPolarHBondContact O-CA 3.31Å; D675-G678 PolarHBondContact O-N 3.41Å; D675-Q679 PolarHBondContact O-N 2.81Å; D675-Q679 VanDerWaalsContact O-N 3.09Å
676	C	98.6	Very high	98.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-51.6	-46.6	168	-77.3	0	0	0	0	111.6	F619 L672 G678 Q679 Q680 V681 V683	F619-C676 HydrophobicContact CD2-CB 4.41Å; F619-C676 VanDerWaalsContact CD2-SG 3.51Å; L672-C676 VanDerWaalsContact O-CB 3.32Å; L672-C676 WeakPolarHBondContact O-CB 3.23Å; L672-C676 PolarHBondContact O-N 2.91Å; L672-C676 PolarHBondContact O-SG 3.38Å; C676-G678 VanDerWaalsContact C-N 3.28Å; C676-G678 PolarHBondContact O-N 2.83Å; C676-Q679 CarbonylContact O-C 3.48Å; C676-Q679 PolarHBondContact O-N 3.39Å; C676-Q680 PolarHBondContact O-N 2.63Å; C676-Q680 VanDerWaalsContact O-N 3.1Å; C676-V681 CarbonylContact C-O 3.55Å; C676-V681 HydrophobicContact CB-CB 3.86Å; C676-V681 HydrophobicContact CB-CG1 4.13Å; C676-V681 WeakPolarHBondContact CB-O 3.46Å; C676-V681 PolarHBondContact O-N 2.59Å; C676-V683 HydrophobicContact CB-CG2 4.48Å
677	S	97.6	Very high	98.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-26.2	179.3	-166.9	0	0	0	0	113.5	A673 L674 D675 Q680 F763 R765 P773	A673-S677 WeakPolarHBondContact O-CB 3.47Å; A673-S677 PolarHBondContact O-N 3.02Å; L674-S677 CarbonylContact O-C 3.59Å; L674-S677 PolarHBondContact O-N 3.37Å; D675-S677 VanDerWaalsContact C-N 3.28Å; D675-S677 PolarHBondContact O-N 3.26Å; S677-Q680 PolarHBondContact O-NE2 2.83Å; S677-F763 WeakPolarHBondContact OG-CB 3.16Å; S677-R765 VanDerWaalsContact C-NH2 3.31Å; S677-R765 PolarHBondContact O-NH2 3.3Å; S677-P773 WeakPolarHBondContact OG-CG 3.44Å
678	G	96.8	Very high	98.3	Very high	33 Å²	33	25.8 Å²	25.8	34%	0.34	13%	0.131	S	C	.	.	H	α-helix	trans	-60.5	-52.6	164.4	0	0	0	0	0	112	L674 D675 C676 Q680	L674-G678 PolarHBondContact O-N 2.61Å; D675-G678 WeakPolarHBondContact O-CA 3.31Å; D675-G678 PolarHBondContact O-N 3.41Å; C676-G678 VanDerWaalsContact C-N 3.28Å; C676-G678 PolarHBondContact O-N 2.83Å; G678-Q680 VanDerWaalsContact C-N 3.28Å; G678-Q680 PolarHBondContact O-N 3.41Å; G678-Q680 PolarHBondContact O-NE2 2.85Å
679	Q	97.8	Very high	98.1	Very high	89 Å²	89	24.4 Å²	24.4	42%	0.416	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	15.3	-173.8	-53.5	-62.3	-1.4	0	0	114.8	F619 S623 G626 D675 C676 V681	F619-Q679 HydrophobicContact CE2-CB 4.07Å; F619-Q679 HydrophobicContact CE2-CG 3.71Å; F619-Q679 HydrophobicContact CZ-CG 3.9Å; S623-Q679 WeakPolarHBondContact OG-CG 3.48Å; G626-Q679 WeakPolarHBondContact CA-O 3.48Å; G626-Q679 PolarHBondContact N-O 2.95Å; D675-Q679 PolarHBondContact O-N 2.81Å; D675-Q679 VanDerWaalsContact O-N 3.09Å; C676-Q679 CarbonylContact O-C 3.48Å; C676-Q679 PolarHBondContact O-N 3.39Å; Q679-V681 VanDerWaalsContact C-N 3.27Å; Q679-V681 HydrophobicContact CB-CG2 4.46Å; Q679-V681 PolarHBondContact O-N 2.94Å
680	Q	98	Very high	97.7	Very high	36 Å²	36	26.2 Å²	26.2	17%	0.168	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	35.5	-179.9	-45.4	-51.4	-63.8	0	0	113.4	G626 G627 C676 S677 G678 E742	G626-Q680 VanDerWaalsContact CA-O 3.28Å; G626-Q680 WeakPolarHBondContact CA-O 3.29Å; G627-Q680 PolarHBondContact N-O 3Å; C676-Q680 PolarHBondContact O-N 2.63Å; C676-Q680 VanDerWaalsContact O-N 3.1Å; S677-Q680 PolarHBondContact O-NE2 2.83Å; G678-Q680 VanDerWaalsContact C-N 3.28Å; G678-Q680 PolarHBondContact O-N 3.41Å; G678-Q680 PolarHBondContact O-NE2 2.85Å; Q680-E742 HydrophobicContact CB-CB 3.96Å; Q680-E742 HydrophobicContact CG-CB 3.82Å
681	V	98.6	Very high	97.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.4	170.9	179	0	0	0	0	110.1	L622 G627 M629 C676 Q679 V683 P773	L622-V681 HydrophobicContact CB-CG1 4.46Å; L622-V681 HydrophobicContact CB-CG2 3.61Å; L622-V681 HydrophobicContact CD1-CG1 3.69Å; L622-V681 HydrophobicContact CD1-CG2 4.29Å; G627-V681 WeakPolarHBondContact O-CA 3.44Å; M629-V681 HydrophobicContact CB-CG1 4.36Å; M629-V681 HydrophobicContact CE-CG1 4.09Å; C676-V681 CarbonylContact C-O 3.55Å; C676-V681 HydrophobicContact CB-CB 3.86Å; C676-V681 HydrophobicContact CB-CG1 4.13Å; C676-V681 WeakPolarHBondContact CB-O 3.46Å; C676-V681 PolarHBondContact O-N 2.59Å; Q679-V681 VanDerWaalsContact C-N 3.27Å; Q679-V681 HydrophobicContact CB-CG2 4.46Å; Q679-V681 PolarHBondContact O-N 2.94Å; V681-V683 HydrophobicContact CG1-CG2 4.39Å; V681-P773 VanDerWaalsContact C-CB 3.43Å; V681-P773 VanDerWaalsContact O-CB 3.31Å; V681-P773 WeakPolarHBondContact O-CB 3.27Å
682	A	98.6	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	149.3	164.4	0	0	0	0	0	110.5	G627 M629 S705 P773 N774	G627-A682 PolarHBondContact O-N 2.85Å; M629-A682 WeakPolarHBondContact CB-O 3.29Å; M629-A682 PolarHBondContact N-O 3.32Å; A682-S705 WeakPolarHBondContact CA-O 3.49Å; A682-S705 WeakPolarHBondContact CB-O 3.45Å; A682-P773 HydrophobicContact CB-CB 4.16Å; A682-N774 HydrophobicContact CB-CB 3.7Å; A682-N774 WeakPolarHBondContact CB-OD1 3.26Å
683	V	98.8	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	104.8	177.8	-169.4	0	0	0	0	110.3	L615 M629 V631 C676 V681 I701 S702 S705	L615-V683 HydrophobicContact CD2-CG1 4.36Å; M629-V683 HydrophobicContact CB-CB 4.47Å; M629-V683 HydrophobicContact CB-CG1 4.3Å; M629-V683 HydrophobicContact CB-CG2 4.19Å; M629-V683 HydrophobicContact CE-CG2 4.09Å; M629-V683 HydrophobicContact CG-CG1 4.35Å; M629-V683 WeakPolarHBondContact O-CA 3.4Å; M629-V683 HydrophobicContact SD-CG1 3.87Å; M629-V683 HydrophobicContact SD-CG2 4.01Å; V631-V683 HydrophobicContact CG2-CG1 3.5Å; C676-V683 HydrophobicContact CB-CG2 4.48Å; V681-V683 HydrophobicContact CG1-CG2 4.39Å; V683-I701 HydrophobicContact CB-CG1 3.93Å; V683-I701 HydrophobicContact CB-CG2 4.44Å; V683-I701 HydrophobicContact CG1-CG1 3.74Å; V683-I701 HydrophobicContact CG1-CG2 3.97Å; V683-I701 HydrophobicContact CG2-CG1 4.06Å; V683-S702 WeakPolarHBondContact O-CA 3.46Å; V683-S702 WeakPolarHBondContact O-CB 3.37Å; V683-S702 PolarHBondContact O-OG 2.68Å; V683-S705 PolarHBondContact N-OG 3.31Å
684	D	98.8	Very high	97.4	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.1	171.1	-64.6	-74.3	0	0	0	110.1	R628 M629 V631 F686 S708 Y734	R628-D684 VanDerWaalsContact CD-OD2 3.25Å; R628-D684 WeakPolarHBondContact CD-OD2 3.46Å; R628-D684 WeakPolarHBondContact CG-OD2 3.42Å; M629-D684 PolarHBondContact O-N 2.87Å; V631-D684 PolarHBondContact N-O 2.66Å; D684-F686 HydrophobicContact CB-CE2 4.31Å; D684-S708 WeakPolarHBondContact CA-O 3.49Å; D684-S708 WeakPolarHBondContact OD1-CA 3.38Å; D684-S708 WeakPolarHBondContact OD1-CB 3.46Å; D684-S708 PolarHBondContact OD1-N 3.08Å; D684-S708 PolarHBondContact OD1-OG 2.88Å; D684-Y734 HydrophobicContact CB-CE2 3.81Å; D684-Y734 VanDerWaalsContact CB-OH 3.31Å; D684-Y734 WeakPolarHBondContact CB-OH 3.39Å; D684-Y734 VanDerWaalsContact CG-CE2 3.43Å; D684-Y734 VanDerWaalsContact CG-OH 3.29Å; D684-Y734 VanDerWaalsContact OD2-CE2 3.23Å; D684-Y734 WeakPolarHBondContact OD2-CE2 3.49Å; D684-Y734 PolarHBondContact OD2-OH 2.94Å
685	L	98.8	Very high	97.4	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.5	-179.3	176	63	0	0	0	111.3	V631 Q633 L695 L698 I701 S702 S708 V709 Y710	V631-L685 HydrophobicContact CB-CD1 4.28Å; V631-L685 HydrophobicContact CG1-CD1 3.99Å; Q633-L685 HydrophobicContact CB-CD1 4.32Å; L685-L695 HydrophobicContact CD2-CD1 4.08Å; L685-L698 HydrophobicContact CD2-CB 3.88Å; L685-I701 HydrophobicContact CB-CG2 4.5Å; L685-S702 WeakPolarHBondContact CB-OG 3.41Å; L685-S702 PolarHBondContact N-OG 2.64Å; L685-S708 PolarHBondContact N-O 3.09Å; L685-V709 WeakPolarHBondContact O-CA 3.3Å; L685-Y710 PolarHBondContact O-N 3.17Å
686	F	98.8	Very high	97.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.3	168.8	-67	-101.7	0	0	0	108.8	V631 F632 Q633 D684 L688 Y710 Y712 F727 L731 Y734	V631-F686 PolarHBondContact O-N 2.73Å; F632-F686 WeakPolarHBondContact CA-O 3.39Å; F632-F686 HydrophobicContact CD1-CB 3.59Å; F632-F686 HydrophobicContact CD1-CD1 4.5Å; F632-F686 HydrophobicContact CD1-CD2 4.31Å; F632-F686 AromaticContact CD1-CG 3.91Å; F632-F686 HydrophobicContact CD1-CG 3.91Å; F632-F686 HydrophobicContact CE1-CB 3.83Å; F632-F686 AromaticContact CE1-CD1 3.9Å; F632-F686 HydrophobicContact CE1-CD1 3.9Å; F632-F686 AromaticContact CE1-CD2 3.83Å; F632-F686 HydrophobicContact CE1-CD2 3.83Å; F632-F686 HydrophobicContact CE1-CE1 4.45Å; F632-F686 HydrophobicContact CE1-CE2 4.38Å; F632-F686 AromaticContact CE1-CG 3.57Å; F632-F686 HydrophobicContact CE1-CG 3.57Å; F632-F686 HydrophobicContact CE2-CD2 4.14Å; F632-F686 HydrophobicContact CG-CB 4.12Å; F632-F686 HydrophobicContact CZ-CD1 4.44Å; F632-F686 AromaticContact CZ-CD2 3.72Å; F632-F686 HydrophobicContact CZ-CD2 3.72Å; F632-F686 AromaticContact CZ-CE2 4Å; F632-F686 HydrophobicContact CZ-CE2 4Å; F632-F686 AromaticContact CZ-CG 3.98Å; F632-F686 HydrophobicContact CZ-CG 3.98Å; F632-F686 HydrophobicContact CZ-CZ 4.47Å; Q633-F686 PolarHBondContact N-O 3.5Å; D684-F686 HydrophobicContact CB-CE2 4.31Å; F686-L688 HydrophobicContact CB-CD1 4.11Å; F686-Y710 AromaticContact CD1-CD2 3.99Å; F686-Y710 HydrophobicContact CD1-CD2 3.99Å; F686-Y710 AromaticContact CD1-CG 3.94Å; F686-Y710 HydrophobicContact CD1-CG 3.94Å; F686-Y710 HydrophobicContact CD2-CD2 4.31Å; F686-Y710 HydrophobicContact CE1-CD1 4.2Å; F686-Y710 AromaticContact CE1-CD2 3.55Å; F686-Y710 HydrophobicContact CE1-CD2 3.55Å; F686-Y710 HydrophobicContact CE1-CE2 4.03Å; F686-Y710 AromaticContact CE1-CG 3.66Å; F686-Y710 HydrophobicContact CE1-CG 3.66Å; F686-Y710 AromaticContact CE2-CD2 3.9Å; F686-Y710 HydrophobicContact CE2-CD2 3.9Å; F686-Y710 HydrophobicContact CE2-CE2 4.17Å; F686-Y710 HydrophobicContact CG-CD2 4.33Å; F686-Y710 AromaticContact CZ-CD2 3.49Å; F686-Y710 HydrophobicContact CZ-CD2 3.49Å; F686-Y710 VanDerWaalsContact CZ-CD2 3.49Å; F686-Y710 AromaticContact CZ-CE2 3.63Å; F686-Y710 HydrophobicContact CZ-CE2 3.63Å; F686-Y710 HydrophobicContact CZ-CG 4.11Å; F686-Y712 HydrophobicContact CD1-CE2 4.07Å; F686-F727 HydrophobicContact CD1-CD2 4.48Å; F686-F727 AromaticContact CD1-CE2 3.96Å; F686-F727 HydrophobicContact CD1-CE2 3.96Å; F686-L731 HydrophobicContact CZ-CD1 4.48Å; F686-Y734 HydrophobicContact CE2-CD1 4.18Å; F686-Y734 HydrophobicContact CE2-CD2 4.38Å; F686-Y734 AromaticContact CE2-CE1 3.91Å; F686-Y734 HydrophobicContact CE2-CE1 3.91Å; F686-Y734 HydrophobicContact CE2-CE2 4.14Å; F686-Y734 HydrophobicContact CE2-CG 4.39Å; F686-Y734 AromaticContact CE2-CZ 3.89Å; F686-Y734 AromaticContact CZ-CD1 3.74Å; F686-Y734 HydrophobicContact CZ-CD1 3.74Å; F686-Y734 AromaticContact CZ-CD2 3.89Å; F686-Y734 HydrophobicContact CZ-CD2 3.89Å; F686-Y734 AromaticContact CZ-CE1 3.97Å; F686-Y734 HydrophobicContact CZ-CE1 3.97Å; F686-Y734 HydrophobicContact CZ-CE2 4.12Å; F686-Y734 AromaticContact CZ-CG 3.69Å; F686-Y734 HydrophobicContact CZ-CG 3.69Å
687	L	98.6	Very high	97.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.3	177.5	179.8	63.5	0	0	0	110	Q633 C693 L695 Y710 Y711 Y712	Q633-L687 HydrophobicContact CB-CD1 4.4Å; Q633-L687 HydrophobicContact CG-CD1 4.4Å; Q633-L687 WeakPolarHBondContact O-CA 3.46Å; L687-C693 HydrophobicContact CD1-CB 3.77Å; L687-C693 HydrophobicContact CD2-CB 4.07Å; L687-L695 HydrophobicContact CD2-CB 4.29Å; L687-L695 HydrophobicContact CD2-CD1 4.03Å; L687-L695 HydrophobicContact CD2-CD2 4.45Å; L687-L695 HydrophobicContact CD2-CG 4.48Å; L687-Y710 PolarHBondContact N-O 3.01Å; L687-Y711 HydrophobicContact CB-CD2 4.06Å; L687-Y711 HydrophobicContact CD2-CD2 3.79Å; L687-Y711 HydrophobicContact CD2-CE2 3.84Å; L687-Y711 HydrophobicContact CG-CD2 3.87Å; L687-Y711 HydrophobicContact CG-CE2 4.08Å; L687-Y711 WeakPolarHBondContact O-CA 3.35Å; L687-Y712 PolarHBondContact O-N 2.88Å
688	L	98	Very high	97.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.			trans	-115.1	44.5	-174.5	-55.3	103.3	0	0	0	111.9	Y516 F632 Q633 T634 F686 Y712 Y715 F727	Y516-L688 HydrophobicContact CD2-CD1 4.16Å; Y516-L688 HydrophobicContact CD2-CD2 4.4Å; Y516-L688 HydrophobicContact CG-CD2 4.41Å; F632-L688 HydrophobicContact CB-CD1 4.47Å; F632-L688 HydrophobicContact CD1-CD1 4.21Å; Q633-L688 PolarHBondContact O-N 3.16Å; T634-L688 HydrophobicContact CG2-CB 4.42Å; F686-L688 HydrophobicContact CB-CD1 4.11Å; L688-Y712 HydrophobicContact CD2-CD2 4.17Å; L688-Y712 HydrophobicContact CD2-CG 4.5Å; L688-Y712 HydrophobicContact CG-CD2 4.07Å; L688-Y715 HydrophobicContact CB-CD1 4.4Å; L688-Y715 HydrophobicContact CB-CG 4.19Å; L688-Y715 HydrophobicContact CD2-CD1 4.02Å; L688-Y715 HydrophobicContact CD2-CD2 3.81Å; L688-Y715 HydrophobicContact CD2-CE1 4.28Å; L688-Y715 HydrophobicContact CD2-CE2 4.03Å; L688-Y715 HydrophobicContact CD2-CG 3.8Å; L688-F727 HydrophobicContact CD2-CD1 4.43Å; L688-F727 HydrophobicContact CD2-CD2 3.98Å; L688-F727 HydrophobicContact CD2-CE1 4.35Å; L688-F727 HydrophobicContact CD2-CE2 3.91Å; L688-F727 HydrophobicContact CD2-CG 4.24Å; L688-F727 HydrophobicContact CD2-CZ 4.1Å
689	S	92.7	Very high	97.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.			trans	-95.2	143.9	-169.4	70.3	0	0	0	0	115	T634 Q691 C693 S714	T634-S689 VanDerWaalsContact O-CA 3.31Å; T634-S689 WeakPolarHBondContact O-CA 3.48Å; T634-S689 WeakPolarHBondContact O-CB 3.39Å; S689-Q691 WeakPolarHBondContact CB-O 3.46Å; S689-Q691 PolarHBondContact OG-O 3.37Å; S689-C693 WeakPolarHBondContact CB-SG 3.17Å; S689-C693 PolarHBondContact OG-SG 3.28Å; S689-S714 PolarHBondContact O-N 3.14Å
690	A	92.3	Very high	97.4	Very high	41 Å²	41	12.2 Å²	12.2	34%	0.339	7%	0.065	S	C	.	.	S	Bend	trans	-86.2	-26	167.2	0	0	0	0	0	113.1	R915	A690-R915 PolarHBondContact O-NH1 3.25Å
691	Q	93.8	Very high	97.5	Very high	139 Å²	139	10.6 Å²	10.6	65%	0.65	6%	0.058	S	C	*	.	S	Bend	trans	-113	173.2	-176.6	-58.3	-61.9	-5.7	0	0	112.1	S689 C693	S689-Q691 WeakPolarHBondContact CB-O 3.46Å; S689-Q691 PolarHBondContact OG-O 3.37Å; Q691-C693 PolarHBondContact O-N 3.44Å; Q691-C693 PolarHBondContact O-SG 2.9Å
692	Y	96.5	Very high	97.4	Very high	20 Å²	20	10.6 Å²	10.6	8%	0.078	6%	0.058	C	C	.	.			trans	-59.1	131.8	174.5	174.6	-115.9	0	0	0	111.3	R647 E648 D694 L916 D917	R647-Y692 HydrophobicContact CG-CE1 4.15Å; R647-Y692 WeakPolarHBondContact CG-OH 3.19Å; R647-Y692 PolarHBondContact NE-OH 3.44Å; E648-Y692 HydrophobicContact CB-CD1 3.89Å; E648-Y692 HydrophobicContact CB-CD2 3.83Å; E648-Y692 HydrophobicContact CB-CE1 3.9Å; E648-Y692 HydrophobicContact CB-CE2 3.87Å; E648-Y692 HydrophobicContact CB-CG 3.84Å; Y692-D694 HydrophobicContact CE1-CB 4.03Å; Y692-D694 VanDerWaalsContact CE2-CA 3.49Å; Y692-D694 HydrophobicContact CE2-CB 4.08Å; Y692-D694 VanDerWaalsContact OH-CB 3.24Å; Y692-D694 WeakPolarHBondContact OH-CB 3.42Å; Y692-D694 PolarHBondContact OH-OD1 3.42Å; Y692-L916 HydrophobicContact CE2-CB 4.2Å; Y692-L916 HydrophobicContact CE2-CD2 3.87Å; Y692-L916 HydrophobicContact CE2-CG 4.3Å; Y692-D917 WeakPolarHBondContact CA-OD2 3.45Å; Y692-D917 VanDerWaalsContact CD2-OD2 3.29Å; Y692-D917 WeakPolarHBondContact CD2-OD2 3.18Å; Y692-D917 WeakPolarHBondContact CE2-OD1 3.34Å
693	C	97.2	Very high	97.3	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.007	7%	0.066	C	C	.	.			trans	-133.2	12.7	-177.5	-69.4	0	0	0	0	113.2	L636 L687 S689 Q691 L698 D917	L636-C693 VanDerWaalsContact CD1-C 3.41Å; L636-C693 WeakPolarHBondContact CD1-O 3.32Å; L636-C693 PolarHBondContact N-SG 3.01Å; L636-C693 VanDerWaalsContact N-SG 3.42Å; L687-C693 HydrophobicContact CD1-CB 3.77Å; L687-C693 HydrophobicContact CD2-CB 4.07Å; S689-C693 WeakPolarHBondContact CB-SG 3.17Å; S689-C693 PolarHBondContact OG-SG 3.28Å; Q691-C693 PolarHBondContact O-N 3.44Å; Q691-C693 PolarHBondContact O-SG 2.9Å; C693-L698 WeakPolarHBondContact O-CD1 3.44Å; C693-D917 PolarHBondContact N-OD2 2.92Å
694	D	97.9	Very high	97.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.			trans	51.7	57.3	178.3	-163.7	20.8	0	0	0	114.7	L636 L644 R647 Y692 A696 T697 L698 D917	L636-D694 HydrophobicContact CD1-CB 3.86Å; L644-D694 HydrophobicContact CD1-CB 4.02Å; R647-D694 IonicContact CZ-OD1 3.59Å; R647-D694 IonicContact CZ-OD2 3.36Å; R647-D694 VanDerWaalsContact CZ-OD2 3.29Å; R647-D694 VanDerWaalsContact NE-CG 3.35Å; R647-D694 IonicContact NE-OD1 3.31Å; R647-D694 PolarHBondContact NE-OD1 2.93Å; R647-D694 IonicContact NE-OD2 2.71Å; R647-D694 PolarHBondContact NE-OD2 2.82Å; R647-D694 VanDerWaalsContact NH2-CG 3.31Å; R647-D694 IonicContact NH2-OD1 3.41Å; R647-D694 PolarHBondContact NH2-OD1 3.08Å; R647-D694 IonicContact NH2-OD2 3.09Å; R647-D694 PolarHBondContact NH2-OD2 3.28Å; R647-D694 VanDerWaalsContact NH2-OD2 3.08Å; Y692-D694 HydrophobicContact CE1-CB 4.03Å; Y692-D694 VanDerWaalsContact CE2-CA 3.49Å; Y692-D694 HydrophobicContact CE2-CB 4.08Å; Y692-D694 VanDerWaalsContact OH-CB 3.24Å; Y692-D694 WeakPolarHBondContact OH-CB 3.42Å; Y692-D694 PolarHBondContact OH-OD1 3.42Å; D694-A696 PolarHBondContact O-N 3.46Å; D694-A696 VanDerWaalsContact O-N 3.09Å; D694-T697 VanDerWaalsContact CG-OG1 3.28Å; D694-T697 PolarHBondContact O-N 3.32Å; D694-T697 VanDerWaalsContact OD2-CB 3.29Å; D694-T697 WeakPolarHBondContact OD2-CB 3.32Å; D694-T697 PolarHBondContact OD2-OG1 3.26Å; D694-L698 PolarHBondContact O-N 3.35Å; D694-D917 PolarHBondContact N-OD1 2.95Å
695	L	98.1	Very high	97.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60	-23.3	-179.5	-174.1	57.9	0	0	0	112.7	L685 L687 T697 G699 V709 D917 V920 F921 Y924	L685-L695 HydrophobicContact CD2-CD1 4.08Å; L687-L695 HydrophobicContact CD2-CB 4.29Å; L687-L695 HydrophobicContact CD2-CD1 4.03Å; L687-L695 HydrophobicContact CD2-CD2 4.45Å; L687-L695 HydrophobicContact CD2-CG 4.48Å; L695-T697 PolarHBondContact O-N 2.78Å; L695-G699 WeakPolarHBondContact O-CA 3.37Å; L695-G699 PolarHBondContact O-N 3.47Å; L695-V709 HydrophobicContact CD1-CG1 3.93Å; L695-V709 HydrophobicContact CD2-CG1 4.39Å; L695-D917 HydrophobicContact CB-CB 4.05Å; L695-D917 WeakPolarHBondContact CB-OD1 3.18Å; L695-D917 PolarHBondContact N-OD1 3.27Å; L695-V920 HydrophobicContact CB-CG1 4.27Å; L695-V920 HydrophobicContact CD2-CG1 4.45Å; L695-V920 HydrophobicContact CG-CG1 4.06Å; L695-F921 HydrophobicContact CD2-CB 3.79Å; L695-F921 HydrophobicContact CD2-CD2 4.41Å; L695-Y924 HydrophobicContact CD1-CE2 4.36Å; L695-Y924 HydrophobicContact CG-CE2 4.03Å; L695-Y924 PolarHBondContact O-OH 2.87Å; L695-Y924 VanDerWaalsContact O-OH 3.09Å
696	A	97.6	Very high	97.2	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.033	8%	0.077	C	C	.	.	H	α-helix	trans	-57.6	-38.8	171.4	0	0	0	0	0	112	D694 V920 Y924	D694-A696 PolarHBondContact O-N 3.46Å; D694-A696 VanDerWaalsContact O-N 3.09Å; A696-V920 HydrophobicContact CB-CG1 4.49Å; A696-V920 HydrophobicContact CB-CG2 3.97Å; A696-Y924 PolarHBondContact O-OH 3.07Å
697	T	98.6	Very high	97.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-85	-52.4	177.4	-56.2	0	0	0	0	111.1	L644 R647 P664 A665 T666 Y669 D694 L695 G699 C700	L644-T697 HydrophobicContact CD1-CG2 3.93Å; L644-T697 HydrophobicContact CD2-CG2 3.76Å; R647-T697 PolarHBondContact NH2-OG1 3.4Å; P664-T697 WeakPolarHBondContact CA-OG1 3.45Å; P664-T697 HydrophobicContact CB-CG2 4.43Å; A665-T697 PolarHBondContact N-OG1 3Å; T666-T697 HydrophobicContact CG2-CG2 3.84Å; Y669-T697 HydrophobicContact CD2-CG2 3.62Å; Y669-T697 HydrophobicContact CE2-CG2 3.98Å; D694-T697 VanDerWaalsContact CG-OG1 3.28Å; D694-T697 PolarHBondContact O-N 3.32Å; D694-T697 VanDerWaalsContact OD2-CB 3.29Å; D694-T697 WeakPolarHBondContact OD2-CB 3.32Å; D694-T697 PolarHBondContact OD2-OG1 3.26Å; L695-T697 PolarHBondContact O-N 2.78Å; T697-G699 PolarHBondContact O-N 3.2Å; T697-C700 VanDerWaalsContact O-CB 3.32Å; T697-C700 WeakPolarHBondContact O-CB 3.22Å; T697-C700 PolarHBondContact O-N 3.12Å
698	L	98.6	Very high	97	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-62.5	-42.2	-175.3	-60.4	-173	0	0	0	112.7	L611 P637 L644 Y669 L685 C693 D694 C700 I701	L611-L698 HydrophobicContact CD2-CD2 4.16Å; P637-L698 HydrophobicContact CG-CD1 4.46Å; P637-L698 HydrophobicContact CG-CD2 3.94Å; L644-L698 HydrophobicContact CD1-CD2 3.67Å; L644-L698 HydrophobicContact CD1-CG 4.18Å; Y669-L698 HydrophobicContact CD1-CD2 4.29Å; Y669-L698 HydrophobicContact CE1-CD2 3.66Å; Y669-L698 HydrophobicContact CE2-CD2 4.01Å; L685-L698 HydrophobicContact CD2-CB 3.88Å; C693-L698 WeakPolarHBondContact O-CD1 3.44Å; D694-L698 PolarHBondContact O-N 3.35Å; L698-C700 PolarHBondContact O-N 2.93Å; L698-I701 VanDerWaalsContact O-CG2 3.3Å; L698-I701 WeakPolarHBondContact O-CG2 3.27Å; L698-I701 PolarHBondContact O-N 3.27Å
699	G	97.8	Very high	97	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.3	-178.4	0	0	0	0	0	115	L695 T697 I701 S702 R703	L695-G699 WeakPolarHBondContact O-CA 3.37Å; L695-G699 PolarHBondContact O-N 3.47Å; T697-G699 PolarHBondContact O-N 3.2Å; G699-I701 PolarHBondContact O-N 3.19Å; G699-S702 PolarHBondContact O-N 2.61Å; G699-R703 WeakPolarHBondContact O-CB 3.49Å; G699-R703 PolarHBondContact O-N 2.88Å
700	C	98.2	Very high	97.2	Very high	7 Å²	7	17.5 Å²	17.5	5%	0.047	9%	0.088	C	C	.	.	H	α-helix	trans	-60.4	-31.1	169.8	-72	0	0	0	0	112.6	P664 K670 T697 L698 S702 R703 Y704	P664-C700 VanDerWaalsContact CG-SG 3.52Å; K670-C700 HydrophobicContact CB-CB 4.23Å; T697-C700 VanDerWaalsContact O-CB 3.32Å; T697-C700 WeakPolarHBondContact O-CB 3.22Å; T697-C700 PolarHBondContact O-N 3.12Å; L698-C700 PolarHBondContact O-N 2.93Å; C700-S702 VanDerWaalsContact C-N 3.27Å; C700-S702 PolarHBondContact O-N 2.6Å; C700-R703 PolarHBondContact O-N 3.34Å; C700-Y704 HydrophobicContact CB-CD2 4.24Å; C700-Y704 HydrophobicContact CB-CE2 4.3Å; C700-Y704 WeakPolarHBondContact O-CD2 3.3Å; C700-Y704 PolarHBondContact O-N 2.9Å
701	I	98.5	Very high	97.5	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.015	7%	0.072	C	C	.	.	H	α-helix	trans	-60.7	-40.1	-179.1	-158.3	65.4	0	0	0	111.3	L615 Y669 L672 A673 V683 L685 L698 G699 S705	L615-I701 HydrophobicContact CD1-CD1 4.32Å; L615-I701 HydrophobicContact CD1-CG1 4.23Å; Y669-I701 HydrophobicContact CD1-CB 4.4Å; Y669-I701 WeakPolarHBondContact O-CD1 3.3Å; L672-I701 HydrophobicContact CB-CD1 4.01Å; L672-I701 HydrophobicContact CD2-CD1 4.17Å; L672-I701 HydrophobicContact CG-CD1 4.05Å; A673-I701 HydrophobicContact CB-CD1 4.3Å; A673-I701 WeakPolarHBondContact CB-O 3.29Å; V683-I701 HydrophobicContact CB-CG1 3.93Å; V683-I701 HydrophobicContact CB-CG2 4.44Å; V683-I701 HydrophobicContact CG1-CG1 3.74Å; V683-I701 HydrophobicContact CG1-CG2 3.97Å; V683-I701 HydrophobicContact CG2-CG1 4.06Å; L685-I701 HydrophobicContact CB-CG2 4.5Å; L698-I701 VanDerWaalsContact O-CG2 3.3Å; L698-I701 WeakPolarHBondContact O-CG2 3.27Å; L698-I701 PolarHBondContact O-N 3.27Å; G699-I701 PolarHBondContact O-N 3.19Å; I701-S705 VanDerWaalsContact O-CB 3.32Å; I701-S705 WeakPolarHBondContact O-CB 3.37Å; I701-S705 PolarHBondContact O-OG 2.8Å
702	S	98.3	Very high	97.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-83.1	-44.2	178.2	-52.4	0	0	0	0	112.5	V683 L685 G699 C700 Y704 S705 A706 G707 S708	V683-S702 WeakPolarHBondContact O-CA 3.46Å; V683-S702 WeakPolarHBondContact O-CB 3.37Å; V683-S702 PolarHBondContact O-OG 2.68Å; L685-S702 WeakPolarHBondContact CB-OG 3.41Å; L685-S702 PolarHBondContact N-OG 2.64Å; G699-S702 PolarHBondContact O-N 2.61Å; C700-S702 VanDerWaalsContact C-N 3.27Å; C700-S702 PolarHBondContact O-N 2.6Å; S702-Y704 VanDerWaalsContact C-N 3.27Å; S702-Y704 PolarHBondContact O-N 2.72Å; S702-S705 PolarHBondContact O-N 2.98Å; S702-S705 PolarHBondContact O-OG 3.32Å; S702-A706 PolarHBondContact O-N 2.87Å; S702-G707 PolarHBondContact O-N 3.18Å; S702-S708 PolarHBondContact OG-O 2.85Å
703	R	96.6	Very high	97.6	Very high	44 Å²	44	10 Å²	10	17%	0.166	5%	0.05	C	C	.	.	H	α-helix	trans	-54.7	-40.9	-176	-175.8	176.5	180	173.3	2.2	112.8	G699 C700 N761 F762 D849	G699-R703 WeakPolarHBondContact O-CB 3.49Å; G699-R703 PolarHBondContact O-N 2.88Å; C700-R703 PolarHBondContact O-N 3.34Å; R703-N761 CarbonylContact O-C 3.56Å; R703-N761 VanDerWaalsContact O-CA 3.23Å; R703-N761 WeakPolarHBondContact O-CA 3.49Å; R703-F762 PolarHBondContact O-N 3.07Å; R703-D849 IonicContact NH2-OD1 3.1Å; R703-D849 PolarHBondContact NH2-OD1 3.49Å
704	Y	97.4	Very high	97.4	Very high	55 Å²	55	12.3 Å²	12.3	22%	0.216	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-9.4	-175.7	-61.3	-69.3	0	0	0	114.5	K670 C700 S702	K670-Y704 HydrophobicContact CB-CD2 4.2Å; K670-Y704 HydrophobicContact CB-CE2 4.31Å; K670-Y704 HydrophobicContact CD-CD2 4.22Å; K670-Y704 HydrophobicContact CD-CE2 3.74Å; K670-Y704 HydrophobicContact CG-CD2 3.7Å; K670-Y704 HydrophobicContact CG-CE2 3.75Å; K670-Y704 HydrophobicContact CG-CG 4.37Å; C700-Y704 HydrophobicContact CB-CD2 4.24Å; C700-Y704 HydrophobicContact CB-CE2 4.3Å; C700-Y704 WeakPolarHBondContact O-CD2 3.3Å; C700-Y704 PolarHBondContact O-N 2.9Å; S702-Y704 VanDerWaalsContact C-N 3.27Å; S702-Y704 PolarHBondContact O-N 2.72Å
705	S	97.9	Very high	97.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	5.4	173	68.1	0	0	0	0	114	A682 V683 I701 S702 G707 P773	A682-S705 WeakPolarHBondContact CA-O 3.49Å; A682-S705 WeakPolarHBondContact CB-O 3.45Å; V683-S705 PolarHBondContact N-OG 3.31Å; I701-S705 VanDerWaalsContact O-CB 3.32Å; I701-S705 WeakPolarHBondContact O-CB 3.37Å; I701-S705 PolarHBondContact O-OG 2.8Å; S702-S705 PolarHBondContact O-N 2.98Å; S702-S705 PolarHBondContact O-OG 3.32Å; S705-G707 PolarHBondContact O-N 3.09Å; S705-P773 WeakPolarHBondContact O-CD 3.28Å; S705-P773 WeakPolarHBondContact O-CG 3.31Å
706	A	97.7	Very high	97.3	Very high	7 Å²	7	13.9 Å²	13.9	6%	0.058	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	21.7	-171.4	0	0	0	0	0	115.3	S702 L772	S702-A706 PolarHBondContact O-N 2.87Å; A706-L772 HydrophobicContact CB-CB 4.41Å; A706-L772 HydrophobicContact CB-CD2 3.73Å
707	G	97.1	Very high	97.1	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.01	9%	0.087	C	C	.	.			trans	-78.6	173.3	170.5	0	0	0	0	0	113.6	S702 S705 N761	S702-G707 PolarHBondContact O-N 3.18Å; S705-G707 PolarHBondContact O-N 3.09Å; G707-N761 PolarHBondContact O-ND2 2.91Å
708	S	96.4	Very high	96.8	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.014	12%	0.117	C	C	.	.			trans	-100.2	156	177	-26.1	0	0	0	0	110.5	D684 L685 S702 R737	D684-S708 WeakPolarHBondContact CA-O 3.49Å; D684-S708 WeakPolarHBondContact OD1-CA 3.38Å; D684-S708 WeakPolarHBondContact OD1-CB 3.46Å; D684-S708 PolarHBondContact OD1-N 3.08Å; D684-S708 PolarHBondContact OD1-OG 2.88Å; L685-S708 PolarHBondContact N-O 3.09Å; S702-S708 PolarHBondContact OG-O 2.85Å; S708-R737 PolarHBondContact OG-NH2 3.47Å; S708-R737 VanDerWaalsContact OG-NH2 3.16Å
709	V	97.9	Very high	96.5	Very high	14 Å²	14	29.5 Å²	29.5	9%	0.085	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.4	168.7	176	0	0	0	0	108.6	L685 L695 F921 Y924	L685-V709 WeakPolarHBondContact O-CA 3.3Å; L695-V709 HydrophobicContact CD1-CG1 3.93Å; L695-V709 HydrophobicContact CD2-CG1 4.39Å; V709-F921 HydrophobicContact CG1-CD2 4.19Å; V709-F921 HydrophobicContact CG1-CE2 4.42Å; V709-Y924 HydrophobicContact CB-CD2 4.35Å; V709-Y924 HydrophobicContact CG1-CD2 4.28Å; V709-Y924 HydrophobicContact CG2-CD2 4.13Å; V709-Y924 HydrophobicContact CG2-CE2 4.41Å
710	Y	98	Very high	96.2	Very high	28 Å²	28	30.9 Å²	30.9	11%	0.11	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.5	174.2	-63.1	-93	0	0	0	109.3	L685 F686 L687 Y734 R737	L685-Y710 PolarHBondContact O-N 3.17Å; F686-Y710 AromaticContact CD1-CD2 3.99Å; F686-Y710 HydrophobicContact CD1-CD2 3.99Å; F686-Y710 AromaticContact CD1-CG 3.94Å; F686-Y710 HydrophobicContact CD1-CG 3.94Å; F686-Y710 HydrophobicContact CD2-CD2 4.31Å; F686-Y710 HydrophobicContact CE1-CD1 4.2Å; F686-Y710 AromaticContact CE1-CD2 3.55Å; F686-Y710 HydrophobicContact CE1-CD2 3.55Å; F686-Y710 HydrophobicContact CE1-CE2 4.03Å; F686-Y710 AromaticContact CE1-CG 3.66Å; F686-Y710 HydrophobicContact CE1-CG 3.66Å; F686-Y710 AromaticContact CE2-CD2 3.9Å; F686-Y710 HydrophobicContact CE2-CD2 3.9Å; F686-Y710 HydrophobicContact CE2-CE2 4.17Å; F686-Y710 HydrophobicContact CG-CD2 4.33Å; F686-Y710 AromaticContact CZ-CD2 3.49Å; F686-Y710 HydrophobicContact CZ-CD2 3.49Å; F686-Y710 VanDerWaalsContact CZ-CD2 3.49Å; F686-Y710 AromaticContact CZ-CE2 3.63Å; F686-Y710 HydrophobicContact CZ-CE2 3.63Å; F686-Y710 HydrophobicContact CZ-CG 4.11Å; L687-Y710 PolarHBondContact N-O 3.01Å; Y710-Y734 AromaticContact CE2-CD2 3.84Å; Y710-Y734 HydrophobicContact CE2-CD2 3.84Å; Y710-Y734 HydrophobicContact CE2-CE2 4.22Å; Y710-Y734 AromaticContact CZ-CD2 3.99Å; Y710-R737 PolarHBondContact OH-NH1 3.47Å; Y710-R737 VanDerWaalsContact OH-NH1 3.16Å; Y710-R737 PolarHBondContact OH-NH2 3.09Å
711	Y	97.7	Very high	95.8	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.1	-177.8	-177.6	-136.2	0	0	0	111.7	L687 P713 R726 E918 F921	L687-Y711 HydrophobicContact CB-CD2 4.06Å; L687-Y711 HydrophobicContact CD2-CD2 3.79Å; L687-Y711 HydrophobicContact CD2-CE2 3.84Å; L687-Y711 HydrophobicContact CG-CD2 3.87Å; L687-Y711 HydrophobicContact CG-CE2 4.08Å; L687-Y711 WeakPolarHBondContact O-CA 3.35Å; Y711-P713 HydrophobicContact CD1-CG 4.46Å; Y711-P713 HydrophobicContact CE1-CB 3.92Å; Y711-P713 HydrophobicContact CE1-CG 4.15Å; Y711-P713 HydrophobicContact CE2-CB 4.36Å; Y711-R726 PolarHBondContact O-NH1 3.38Å; Y711-R726 PolarHBondContact O-NH2 2.96Å; Y711-R726 VanDerWaalsContact O-NH2 3.17Å; Y711-E918 HydrophobicContact CE1-CG 4.04Å; Y711-F921 HydrophobicContact CD1-CB 3.96Å; Y711-F921 AromaticContact CD1-CD1 3.9Å; Y711-F921 HydrophobicContact CD1-CD1 3.9Å; Y711-F921 AromaticContact CD1-CG 3.89Å; Y711-F921 HydrophobicContact CD1-CG 3.89Å; Y711-F921 HydrophobicContact CG-CD1 4.48Å; Y711-F921 HydrophobicContact CG-CG 4.27Å
712	Y	97.2	Very high	95.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.			trans	-126.9	79.1	-178.4	-56.5	-84.2	0	0	0	109.2	F686 L687 L688 S714 Y715 R726 F727 D730	F686-Y712 HydrophobicContact CD1-CE2 4.07Å; L687-Y712 PolarHBondContact O-N 2.88Å; L688-Y712 HydrophobicContact CD2-CD2 4.17Å; L688-Y712 HydrophobicContact CD2-CG 4.5Å; L688-Y712 HydrophobicContact CG-CD2 4.07Å; Y712-S714 PolarHBondContact O-N 2.91Å; Y712-Y715 WeakPolarHBondContact O-CB 3.44Å; Y712-Y715 PolarHBondContact O-N 2.8Å; Y712-R726 HydrophobicContact CE1-CG 4.05Å; Y712-F727 HydrophobicContact CD1-CB 4.14Å; Y712-F727 HydrophobicContact CD2-CD2 4.24Å; Y712-F727 HydrophobicContact CE1-CB 4.02Å; Y712-F727 HydrophobicContact CE1-CD2 4.42Å; Y712-F727 AromaticContact CE2-CD2 3.84Å; Y712-F727 HydrophobicContact CE2-CD2 3.84Å; Y712-F727 AromaticContact CZ-CD2 3.97Å; Y712-D730 WeakPolarHBondContact CE1-OD2 3.25Å; Y712-D730 WeakPolarHBondContact OH-CB 3.36Å; Y712-D730 PolarHBondContact OH-OD2 3.4Å
713	P	94.8	Very high	95.1	Very high	39 Å²	39	34.4 Å²	34.4	25%	0.253	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	130	-176.2	24.2	-33.4	0	0	0	111.4	Y711 Y715	Y711-P713 HydrophobicContact CD1-CG 4.46Å; Y711-P713 HydrophobicContact CE1-CB 3.92Å; Y711-P713 HydrophobicContact CE1-CG 4.15Å; Y711-P713 HydrophobicContact CE2-CB 4.36Å; P713-Y715 VanDerWaalsContact C-N 3.26Å; P713-Y715 PolarHBondContact O-N 3.13Å
714	S	94.3	Very high	95	Very high	49 Å²	49	33.1 Å²	33.1	34%	0.343	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	41.6	-175.4	-56.5	0	0	0	0	113.1	S689 Y712 H716 N720	S689-S714 PolarHBondContact O-N 3.14Å; Y712-S714 PolarHBondContact O-N 2.91Å; S714-H716 PolarHBondContact O-N 3.27Å; S714-N720 WeakPolarHBondContact O-CB 3.33Å; S714-N720 PolarHBondContact O-ND2 3.35Å
715	Y	96.7	Very high	94.8	Very high	3 Å²	3	32 Å²	32	1%	0.012	17%	0.168	C	C	.	.			trans	-58.7	129.7	171.2	-178	-83	0	0	0	110.8	Y516 L688 Y712 P713 Q723 V724 F727	Y516-Y715 VanDerWaalsContact CB-CE1 3.44Å; L688-Y715 HydrophobicContact CB-CD1 4.4Å; L688-Y715 HydrophobicContact CB-CG 4.19Å; L688-Y715 HydrophobicContact CD2-CD1 4.02Å; L688-Y715 HydrophobicContact CD2-CD2 3.81Å; L688-Y715 HydrophobicContact CD2-CE1 4.28Å; L688-Y715 HydrophobicContact CD2-CE2 4.03Å; L688-Y715 HydrophobicContact CD2-CG 3.8Å; Y712-Y715 WeakPolarHBondContact O-CB 3.44Å; Y712-Y715 PolarHBondContact O-N 2.8Å; P713-Y715 VanDerWaalsContact C-N 3.26Å; P713-Y715 PolarHBondContact O-N 3.13Å; Y715-Q723 HydrophobicContact CD2-CB 3.99Å; Y715-V724 HydrophobicContact CE2-CG2 4.23Å; Y715-F727 HydrophobicContact CD2-CB 4.33Å; Y715-F727 HydrophobicContact CE2-CB 3.66Å; Y715-F727 AromaticContact CE2-CD1 3.86Å; Y715-F727 HydrophobicContact CE2-CD1 3.86Å; Y715-F727 AromaticContact CE2-CG 3.93Å; Y715-F727 HydrophobicContact CE2-CG 3.93Å; Y715-F727 AromaticContact CZ-CD1 3.99Å
716	H	96.2	Very high	94.6	Very high	29 Å²	29	32.7 Å²	32.7	13%	0.134	17%	0.17	C	C	.	.			trans	-162.6	130.8	174.8	-165.6	-58.4	0	0	0	110.3	S714 Q718 H719 N720	S714-H716 PolarHBondContact O-N 3.27Å; H716-Q718 PolarHBondContact ND1-N 3.32Å; H716-Q718 PolarHBondContact O-N 3.31Å; H716-H719 HydrophobicContact CB-CB 4.09Å; H716-H719 AromaticContact CD2-CD2 3.67Å; H716-H719 AromaticContact CE1-CD2 3.64Å; H716-H719 AromaticContact CG-CD2 3.87Å; H716-H719 AromaticContact ND1-CD2 3.86Å; H716-H719 PolarHBondContact ND1-N 2.68Å; H716-H719 AromaticContact NE2-CD2 3.5Å; H716-H719 AromaticContact NE2-NE2 3.97Å; H716-N720 CarbonylContact O-C 3.52Å; H716-N720 PolarHBondContact O-N 2.84Å
717	H	94.2	Very high	94.6	Very high	72 Å²	72	32.4 Å²	32.4	33%	0.333	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-52.3	-174.1	69.3	-74.2	0	0	0	113.4	E513 T514	E513-H717 PolarHBondContact O-CE1 3.35Å; E513-H717 PolarHBondContact O-ND1 3.41Å; T514-H717 WeakPolarHBondContact O-CB 3.46Å; T514-H717 PolarHBondContact O-N 3.3Å; T514-H717 PolarHBondContact O-ND1 2.7Å
718	Q	92.2	Very high	94.6	Very high	134 Å²	134	36.5 Å²	36.5	63%	0.626	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-48.8	174.5	-73.5	169.5	56	0	0	114.3	H716	H716-Q718 PolarHBondContact ND1-N 3.32Å; H716-Q718 PolarHBondContact O-N 3.31Å
719	H	91.2	Very high	94.5	Very high	129 Å²	129	42.8 Å²	42.8	60%	0.597	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-19.6	-165.7	-59.2	-33.7	0	0	0	115	H716	H716-H719 HydrophobicContact CB-CB 4.09Å; H716-H719 AromaticContact CD2-CD2 3.67Å; H716-H719 AromaticContact CE1-CD2 3.64Å; H716-H719 AromaticContact CG-CD2 3.87Å; H716-H719 AromaticContact ND1-CD2 3.86Å; H716-H719 PolarHBondContact ND1-N 2.68Å; H716-H719 AromaticContact NE2-CD2 3.5Å; H716-H719 AromaticContact NE2-NE2 3.97Å
720	N	91.1	Very high	94.5	Very high	29 Å²	29	42.3 Å²	42.3	16%	0.155	21%	0.207	C	C	.	.			trans	-140	61.2	-176.2	-165.4	-2.6	0	0	0	112.7	S714 H716 A722 Q723 V724	S714-N720 WeakPolarHBondContact O-CB 3.33Å; S714-N720 PolarHBondContact O-ND2 3.35Å; H716-N720 CarbonylContact O-C 3.52Å; H716-N720 PolarHBondContact O-N 2.84Å; N720-A722 PolarHBondContact O-N 3.17Å; N720-A722 VanDerWaalsContact O-N 3.08Å; N720-Q723 VanDerWaalsContact ND2-CG 3.29Å; N720-Q723 WeakPolarHBondContact ND2-CG 3.32Å; N720-Q723 PolarHBondContact O-N 2.69Å; N720-V724 PolarHBondContact O-N 3Å
721	P	90.4	Very high	94.5	Very high	60 Å²	60	41 Å²	41	39%	0.39	20%	0.201	S	C	.	.	H	α-helix	trans	-59.7	-23.8	-176	24.6	-35.1	0	0	0	113.7	Q723 V724 E725 Y1018	P721-Q723 VanDerWaalsContact C-N 3.33Å; P721-Q723 PolarHBondContact O-N 2.84Å; P721-V724 WeakPolarHBondContact O-CA 3.26Å; P721-V724 WeakPolarHBondContact O-CB 3.48Å; P721-V724 PolarHBondContact O-N 3.12Å; P721-V724 VanDerWaalsContact O-N 3.08Å; P721-E725 PolarHBondContact O-N 2.73Å; P721-Y1018 HydrophobicContact CG-CD2 4.33Å; P721-Y1018 HydrophobicContact CG-CE2 4.16Å
722	A	89.1	Confident	94.5	Very high	5 Å²	5	46.3 Å²	46.3	4%	0.041	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-32.7	174.5	0	0	0	0	0	113.4	N720 R726 Y1018 H1049	N720-A722 PolarHBondContact O-N 3.17Å; N720-A722 VanDerWaalsContact O-N 3.08Å; A722-R726 WeakPolarHBondContact O-CB 3.37Å; A722-R726 PolarHBondContact O-N 2.73Å; A722-Y1018 HydrophobicContact CB-CD1 3.77Å; A722-Y1018 HydrophobicContact CB-CD2 4.39Å; A722-Y1018 HydrophobicContact CB-CE1 4.16Å; A722-Y1018 HydrophobicContact CB-CG 3.9Å; A722-H1049 VanDerWaalsContact CB-CE1 3.44Å; A722-H1049 WeakPolarHBondContact CB-CE1 3.34Å
723	Q	92.8	Very high	94.5	Very high	18 Å²	18	49.4 Å²	49.4	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-79.9	-23.9	170.6	-64.7	-60.2	-36.5	0	0	112.1	Y715 N720 P721 F727	Y715-Q723 HydrophobicContact CD2-CB 3.99Å; N720-Q723 VanDerWaalsContact ND2-CG 3.29Å; N720-Q723 WeakPolarHBondContact ND2-CG 3.32Å; N720-Q723 PolarHBondContact O-N 2.69Å; P721-Q723 VanDerWaalsContact C-N 3.33Å; P721-Q723 PolarHBondContact O-N 2.84Å; Q723-F727 VanDerWaalsContact O-CB 3.23Å; Q723-F727 WeakPolarHBondContact O-CB 3.41Å; Q723-F727 PolarHBondContact O-N 2.75Å
724	V	94.6	Very high	94.6	Very high	17 Å²	17	47.6 Å²	47.6	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-52.2	174.2	-175	0	0	0	0	111	V519 Y715 N720 P721 R726 F727 Q728	V519-V724 HydrophobicContact CG1-CG1 4.31Å; V519-V724 HydrophobicContact CG2-CG1 4.1Å; Y715-V724 HydrophobicContact CE2-CG2 4.23Å; N720-V724 PolarHBondContact O-N 3Å; P721-V724 WeakPolarHBondContact O-CA 3.26Å; P721-V724 WeakPolarHBondContact O-CB 3.48Å; P721-V724 PolarHBondContact O-N 3.12Å; P721-V724 VanDerWaalsContact O-N 3.08Å; V724-R726 VanDerWaalsContact C-N 3.32Å; V724-R726 PolarHBondContact O-N 3.35Å; V724-F727 PolarHBondContact O-N 2.7Å; V724-Q728 WeakPolarHBondContact O-CG 3.41Å; V724-Q728 PolarHBondContact O-N 3.16Å
725	E	92.6	Very high	94.8	Very high	33 Å²	33	45.2 Å²	45.2	15%	0.154	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-47.3	175.7	-173.3	-172.2	-162.4	0	0	110	P721 F727 Q728 R729 F1045	P721-E725 PolarHBondContact O-N 2.73Å; E725-F727 VanDerWaalsContact C-N 3.32Å; E725-F727 PolarHBondContact O-N 3.43Å; E725-Q728 WeakPolarHBondContact O-CB 3.45Å; E725-Q728 PolarHBondContact O-N 3.25Å; E725-Q728 VanDerWaalsContact O-N 3.13Å; E725-R729 HydrophobicContact CG-CG 3.93Å; E725-R729 WeakPolarHBondContact O-CG 3.29Å; E725-R729 PolarHBondContact O-N 3.16Å; E725-R729 IonicContact OE1-CZ 2.69Å; E725-R729 IonicContact OE1-NE 3.29Å; E725-R729 PolarHBondContact OE1-NE 3.22Å; E725-R729 VanDerWaalsContact OE1-NE 3.09Å; E725-R729 IonicContact OE1-NH2 3.08Å; E725-R729 PolarHBondContact OE1-NH2 2.62Å; E725-F1045 VanDerWaalsContact CD-CE1 3.5Å; E725-F1045 HydrophobicContact CG-CE1 3.88Å; E725-F1045 HydrophobicContact CG-CZ 4.09Å; E725-F1045 WeakPolarHBondContact OE1-CZ 3.47Å; E725-F1045 VanDerWaalsContact OE2-CE1 3.29Å; E725-F1045 WeakPolarHBondContact OE2-CE1 3.14Å; E725-F1045 WeakPolarHBondContact OE2-CZ 3.28Å
726	R	94.9	Very high	94.9	Very high	14 Å²	14	47.6 Å²	47.6	5%	0.053	22%	0.223	C	C	.	.	H	α-helix	trans	-55.3	-47.4	178.8	-175.5	-177.8	156.5	-123	-10.5	111.9	Y711 Y712 A722 V724 R729 D730 F1045	Y711-R726 PolarHBondContact O-NH1 3.38Å; Y711-R726 PolarHBondContact O-NH2 2.96Å; Y711-R726 VanDerWaalsContact O-NH2 3.17Å; Y712-R726 HydrophobicContact CE1-CG 4.05Å; A722-R726 WeakPolarHBondContact O-CB 3.37Å; A722-R726 PolarHBondContact O-N 2.73Å; V724-R726 VanDerWaalsContact C-N 3.32Å; V724-R726 PolarHBondContact O-N 3.35Å; R726-R729 PolarHBondContact O-N 3.07Å; R726-D730 IonicContact CZ-OD2 3Å; R726-D730 IonicContact NE-OD2 3.99Å; R726-D730 PolarHBondContact NE-OD2 2.63Å; R726-D730 IonicContact NH2-OD2 2.75Å; R726-D730 VanDerWaalsContact O-CB 3.29Å; R726-D730 WeakPolarHBondContact O-CB 3.32Å; R726-D730 VanDerWaalsContact O-CG 3.25Å; R726-D730 PolarHBondContact O-N 2.83Å; R726-F1045 HydrophobicContact CB-CD1 4.25Å; R726-F1045 HydrophobicContact CG-CD1 4.48Å; R726-F1045 WeakPolarHBondContact CG-O 2.99Å
727	F	97.1	Very high	94.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-45.5	175.8	176.5	-119.8	0	0	0	112.2	Y516 V519 F520 F632 F686 L688 Y712 Y715 Q723 V724 E725 R729 L731	Y516-F727 HydrophobicContact CD2-CZ 4.39Å; V519-F727 HydrophobicContact CB-CD1 4.39Å; V519-F727 HydrophobicContact CB-CE1 4.3Å; V519-F727 HydrophobicContact CG1-CD1 3.75Å; V519-F727 HydrophobicContact CG1-CE1 4.02Å; F520-F727 HydrophobicContact CB-CE1 4.42Å; F520-F727 HydrophobicContact CB-CZ 4.36Å; F632-F727 HydrophobicContact CD1-CE2 4.23Å; F632-F727 HydrophobicContact CD1-CZ 4.07Å; F632-F727 AromaticContact CE1-CE2 3.8Å; F632-F727 HydrophobicContact CE1-CE2 3.8Å; F632-F727 AromaticContact CE1-CZ 3.74Å; F632-F727 HydrophobicContact CE1-CZ 3.74Å; F686-F727 HydrophobicContact CD1-CD2 4.48Å; F686-F727 AromaticContact CD1-CE2 3.96Å; F686-F727 HydrophobicContact CD1-CE2 3.96Å; L688-F727 HydrophobicContact CD2-CD1 4.43Å; L688-F727 HydrophobicContact CD2-CD2 3.98Å; L688-F727 HydrophobicContact CD2-CE1 4.35Å; L688-F727 HydrophobicContact CD2-CE2 3.91Å; L688-F727 HydrophobicContact CD2-CG 4.24Å; L688-F727 HydrophobicContact CD2-CZ 4.1Å; Y712-F727 HydrophobicContact CD1-CB 4.14Å; Y712-F727 HydrophobicContact CD2-CD2 4.24Å; Y712-F727 HydrophobicContact CE1-CB 4.02Å; Y712-F727 HydrophobicContact CE1-CD2 4.42Å; Y712-F727 AromaticContact CE2-CD2 3.84Å; Y712-F727 HydrophobicContact CE2-CD2 3.84Å; Y712-F727 AromaticContact CZ-CD2 3.97Å; Y715-F727 HydrophobicContact CD2-CB 4.33Å; Y715-F727 HydrophobicContact CE2-CB 3.66Å; Y715-F727 AromaticContact CE2-CD1 3.86Å; Y715-F727 HydrophobicContact CE2-CD1 3.86Å; Y715-F727 AromaticContact CE2-CG 3.93Å; Y715-F727 HydrophobicContact CE2-CG 3.93Å; Y715-F727 AromaticContact CZ-CD1 3.99Å; Q723-F727 VanDerWaalsContact O-CB 3.23Å; Q723-F727 WeakPolarHBondContact O-CB 3.41Å; Q723-F727 PolarHBondContact O-N 2.75Å; V724-F727 PolarHBondContact O-N 2.7Å; E725-F727 VanDerWaalsContact C-N 3.32Å; E725-F727 PolarHBondContact O-N 3.43Å; F727-R729 VanDerWaalsContact C-N 3.34Å; F727-R729 PolarHBondContact O-N 3.28Å; F727-L731 HydrophobicContact CE1-CD2 4.22Å; F727-L731 HydrophobicContact CE2-CD2 4.36Å; F727-L731 HydrophobicContact CZ-CD2 3.92Å; F727-L731 WeakPolarHBondContact O-CB 3.43Å; F727-L731 PolarHBondContact O-N 2.91Å
728	Q	96.6	Very high	95	Very high	87 Å²	87	48.1 Å²	48.1	41%	0.407	22%	0.224	S	C	.	.	H	α-helix	trans	-59.4	-42	176.7	-72.4	169.9	-29.8	0	0	112.7	V519 V724 E725 K732	V519-Q728 HydrophobicContact CG1-CG 3.37Å; V724-Q728 WeakPolarHBondContact O-CG 3.41Å; V724-Q728 PolarHBondContact O-N 3.16Å; E725-Q728 WeakPolarHBondContact O-CB 3.45Å; E725-Q728 PolarHBondContact O-N 3.25Å; E725-Q728 VanDerWaalsContact O-N 3.13Å; Q728-K732 WeakPolarHBondContact O-CB 3.33Å; Q728-K732 PolarHBondContact O-N 2.99Å
729	R	95.8	Very high	95.3	Very high	134 Å²	134	42 Å²	42	51%	0.506	20%	0.195	S	C	.	.	H	α-helix	trans	-73	-46.6	-178.9	-60.1	-80.8	-170.7	-179.1	0.9	111.5	E725 R726 F727 K732 R733 F1045	E725-R729 HydrophobicContact CG-CG 3.93Å; E725-R729 WeakPolarHBondContact O-CG 3.29Å; E725-R729 PolarHBondContact O-N 3.16Å; E725-R729 IonicContact OE1-CZ 2.69Å; E725-R729 IonicContact OE1-NE 3.29Å; E725-R729 PolarHBondContact OE1-NE 3.22Å; E725-R729 VanDerWaalsContact OE1-NE 3.09Å; E725-R729 IonicContact OE1-NH2 3.08Å; E725-R729 PolarHBondContact OE1-NH2 2.62Å; R726-R729 PolarHBondContact O-N 3.07Å; F727-R729 VanDerWaalsContact C-N 3.34Å; F727-R729 PolarHBondContact O-N 3.28Å; R729-K732 PolarHBondContact O-N 2.87Å; R729-R733 PolarHBondContact O-N 2.78Å; R729-F1045 HydrophobicContact CB-CB 3.52Å; R729-F1045 HydrophobicContact CB-CD1 4.24Å; R729-F1045 HydrophobicContact CB-CD2 3.83Å; R729-F1045 HydrophobicContact CB-CG 3.62Å; R729-F1045 HydrophobicContact CG-CB 4.22Å; R729-F1045 HydrophobicContact CG-CD1 4.05Å; R729-F1045 HydrophobicContact CG-CD2 3.68Å; R729-F1045 HydrophobicContact CG-CE1 4.24Å; R729-F1045 HydrophobicContact CG-CE2 3.9Å; R729-F1045 HydrophobicContact CG-CG 3.73Å; R729-F1045 HydrophobicContact CG-CZ 4.16Å
730	D	97.1	Very high	95.7	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-43.8	175	-73.5	-16.1	0	0	0	110.9	Y712 R726 R733 Y734 F1044 F1045	Y712-D730 WeakPolarHBondContact CE1-OD2 3.25Å; Y712-D730 WeakPolarHBondContact OH-CB 3.36Å; Y712-D730 PolarHBondContact OH-OD2 3.4Å; R726-D730 IonicContact CZ-OD2 3Å; R726-D730 IonicContact NE-OD2 3.99Å; R726-D730 PolarHBondContact NE-OD2 2.63Å; R726-D730 IonicContact NH2-OD2 2.75Å; R726-D730 VanDerWaalsContact O-CB 3.29Å; R726-D730 WeakPolarHBondContact O-CB 3.32Å; R726-D730 VanDerWaalsContact O-CG 3.25Å; R726-D730 PolarHBondContact O-N 2.83Å; D730-R733 PolarHBondContact O-N 2.8Å; D730-Y734 WeakPolarHBondContact O-CB 3.48Å; D730-Y734 PolarHBondContact O-N 2.93Å; D730-F1044 WeakPolarHBondContact OD1-CA 3.4Å; D730-F1045 PolarHBondContact OD1-N 3.16Å
731	L	97.8	Very high	96	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-40.8	177.2	-175.9	57.8	0	0	0	111.2	F520 F632 F686 F727 R733 Y734 L735	F520-L731 HydrophobicContact CD2-CD2 3.97Å; F632-L731 HydrophobicContact CZ-CD1 4.22Å; F686-L731 HydrophobicContact CZ-CD1 4.48Å; F727-L731 HydrophobicContact CE1-CD2 4.22Å; F727-L731 HydrophobicContact CE2-CD2 4.36Å; F727-L731 HydrophobicContact CZ-CD2 3.92Å; F727-L731 WeakPolarHBondContact O-CB 3.43Å; F727-L731 PolarHBondContact O-N 2.91Å; L731-R733 PolarHBondContact O-N 2.94Å; L731-Y734 HydrophobicContact CD1-CD1 4.06Å; L731-Y734 WeakPolarHBondContact O-CB 3.49Å; L731-Y734 PolarHBondContact O-N 2.79Å; L731-Y734 VanDerWaalsContact O-N 3.17Å; L731-L735 HydrophobicContact CD1-CD1 4.14Å; L731-L735 HydrophobicContact CD1-CD2 4.26Å; L731-L735 HydrophobicContact CD1-CG 3.92Å; L731-L735 HydrophobicContact CG-CD1 4.03Å; L731-L735 HydrophobicContact CG-CG 4.24Å; L731-L735 WeakPolarHBondContact O-CB 3.24Å; L731-L735 VanDerWaalsContact O-CG 3.29Å; L731-L735 WeakPolarHBondContact O-CG 3.33Å; L731-L735 PolarHBondContact O-N 3.3Å
732	K	97.8	Very high	96.3	Very high	117 Å²	117	32.4 Å²	32.4	51%	0.509	14%	0.144	S	C	.	.	H	α-helix	trans	-58.6	-46.4	172.7	-177.6	168.3	-174.5	174.4	0	112.1	Q728 R729 T736	Q728-K732 WeakPolarHBondContact O-CB 3.33Å; Q728-K732 PolarHBondContact O-N 2.99Å; R729-K732 PolarHBondContact O-N 2.87Å; K732-T736 WeakPolarHBondContact O-CB 3.28Å; K732-T736 WeakPolarHBondContact O-CG2 3.36Å; K732-T736 PolarHBondContact O-N 3.24Å; K732-T736 VanDerWaalsContact O-N 3.13Å; K732-T736 PolarHBondContact O-OG1 2.9Å
733	R	97.1	Very high	96.7	Very high	65 Å²	65	32.1 Å²	32.1	25%	0.245	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-48.7	172.2	174.7	72.1	178	167.6	-3.2	110.4	D411 R729 D730 L731 L735 T736 R737 D778 P1043	D411-R733 IonicContact OD2-CZ 2.73Å; D411-R733 IonicContact OD2-NH1 2.77Å; D411-R733 PolarHBondContact OD2-NH1 3.21Å; D411-R733 IonicContact OD2-NH2 3.22Å; D411-R733 PolarHBondContact OD2-NH2 3.21Å; R729-R733 PolarHBondContact O-N 2.78Å; D730-R733 PolarHBondContact O-N 2.8Å; L731-R733 PolarHBondContact O-N 2.94Å; R733-L735 VanDerWaalsContact C-N 3.32Å; R733-L735 PolarHBondContact O-N 2.92Å; R733-T736 PolarHBondContact O-N 3.38Å; R733-R737 HydrophobicContact CG-CB 4.4Å; R733-R737 WeakPolarHBondContact O-CB 3.33Å; R733-R737 VanDerWaalsContact O-CG 3.24Å; R733-R737 WeakPolarHBondContact O-CG 3.43Å; R733-R737 PolarHBondContact O-N 3.08Å; R733-D778 IonicContact CZ-OD1 3.7Å; R733-D778 IonicContact NE-OD1 3.54Å; R733-D778 PolarHBondContact NE-OD1 2.8Å; R733-D778 IonicContact NE-OD2 3.37Å; R733-D778 PolarHBondContact NE-OD2 2.84Å; R733-D778 IonicContact NH2-OD1 3.9Å; R733-D778 PolarHBondContact NH2-OD1 2.91Å; R733-P1043 HydrophobicContact CG-CB 4.23Å; R733-P1043 VanDerWaalsContact CG-O 3.28Å; R733-P1043 WeakPolarHBondContact CG-O 3.39Å
734	Y	98.3	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.5	-38.9	-177.1	175	-98.2	0	0	0	113.8	R628 S630 D684 F686 Y710 D730 L731	R628-Y734 WeakPolarHBondContact CD-OH 3.48Å; R628-Y734 WeakPolarHBondContact CG-OH 3.45Å; R628-Y734 VanDerWaalsContact CZ-CZ 3.47Å; R628-Y734 PolarHBondContact NE-OH 2.9Å; R628-Y734 PolarHBondContact NH1-O 2.88Å; S630-Y734 PolarHBondContact OG-OH 3.03Å; D684-Y734 HydrophobicContact CB-CE2 3.81Å; D684-Y734 VanDerWaalsContact CB-OH 3.31Å; D684-Y734 WeakPolarHBondContact CB-OH 3.39Å; D684-Y734 VanDerWaalsContact CG-CE2 3.43Å; D684-Y734 VanDerWaalsContact CG-OH 3.29Å; D684-Y734 VanDerWaalsContact OD2-CE2 3.23Å; D684-Y734 WeakPolarHBondContact OD2-CE2 3.49Å; D684-Y734 PolarHBondContact OD2-OH 2.94Å; F686-Y734 HydrophobicContact CE2-CD1 4.18Å; F686-Y734 HydrophobicContact CE2-CD2 4.38Å; F686-Y734 AromaticContact CE2-CE1 3.91Å; F686-Y734 HydrophobicContact CE2-CE1 3.91Å; F686-Y734 HydrophobicContact CE2-CE2 4.14Å; F686-Y734 HydrophobicContact CE2-CG 4.39Å; F686-Y734 AromaticContact CE2-CZ 3.89Å; F686-Y734 AromaticContact CZ-CD1 3.74Å; F686-Y734 HydrophobicContact CZ-CD1 3.74Å; F686-Y734 AromaticContact CZ-CD2 3.89Å; F686-Y734 HydrophobicContact CZ-CD2 3.89Å; F686-Y734 AromaticContact CZ-CE1 3.97Å; F686-Y734 HydrophobicContact CZ-CE1 3.97Å; F686-Y734 HydrophobicContact CZ-CE2 4.12Å; F686-Y734 AromaticContact CZ-CG 3.69Å; F686-Y734 HydrophobicContact CZ-CG 3.69Å; Y710-Y734 AromaticContact CE2-CD2 3.84Å; Y710-Y734 HydrophobicContact CE2-CD2 3.84Å; Y710-Y734 HydrophobicContact CE2-CE2 4.22Å; Y710-Y734 AromaticContact CZ-CD2 3.99Å; D730-Y734 WeakPolarHBondContact O-CB 3.48Å; D730-Y734 PolarHBondContact O-N 2.93Å; L731-Y734 HydrophobicContact CD1-CD1 4.06Å; L731-Y734 WeakPolarHBondContact O-CB 3.49Å; L731-Y734 PolarHBondContact O-N 2.79Å; L731-Y734 VanDerWaalsContact O-N 3.17Å
735	L	98.3	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-74.9	-36.4	178.4	-67.4	179.1	0	0	0	112.4	F503 L524 N527 L531 P532 L731 R733	F503-L735 HydrophobicContact CE1-CD2 4Å; F503-L735 HydrophobicContact CZ-CD2 4.01Å; L524-L735 HydrophobicContact CB-CD1 4.4Å; L524-L735 HydrophobicContact CD1-CD1 3.94Å; L524-L735 HydrophobicContact CD1-CD2 4.12Å; N527-L735 HydrophobicContact CB-CB 4.43Å; N527-L735 HydrophobicContact CB-CD1 4.22Å; L531-L735 HydrophobicContact CD2-CB 3.94Å; L531-L735 HydrophobicContact CD2-CD2 3.95Å; L531-L735 HydrophobicContact CD2-CG 4.43Å; P532-L735 WeakPolarHBondContact CD-O 3.42Å; L731-L735 HydrophobicContact CD1-CD1 4.14Å; L731-L735 HydrophobicContact CD1-CD2 4.26Å; L731-L735 HydrophobicContact CD1-CG 3.92Å; L731-L735 HydrophobicContact CG-CD1 4.03Å; L731-L735 HydrophobicContact CG-CG 4.24Å; L731-L735 WeakPolarHBondContact O-CB 3.24Å; L731-L735 VanDerWaalsContact O-CG 3.29Å; L731-L735 WeakPolarHBondContact O-CG 3.33Å; L731-L735 PolarHBondContact O-N 3.3Å; R733-L735 VanDerWaalsContact C-N 3.32Å; R733-L735 PolarHBondContact O-N 2.92Å
736	T	97.8	Very high	97.4	Very high	53 Å²	53	34.6 Å²	34.6	33%	0.325	15%	0.152	S	C	.	.	H	α-helix	trans	-104	-14.2	-170.7	62.6	0	0	0	0	115.7	N527 A530 K732 R733	N527-T736 HydrophobicContact CB-CG2 4.13Å; A530-T736 HydrophobicContact CB-CG2 3.82Å; K732-T736 WeakPolarHBondContact O-CB 3.28Å; K732-T736 WeakPolarHBondContact O-CG2 3.36Å; K732-T736 PolarHBondContact O-N 3.24Å; K732-T736 VanDerWaalsContact O-N 3.13Å; K732-T736 PolarHBondContact O-OG1 2.9Å; R733-T736 PolarHBondContact O-N 3.38Å
737	R	97.3	Very high	97.5	Very high	5 Å²	5	34 Å²	34	2%	0.019	15%	0.15	C	C	.	.	S	Bend	trans	-61.2	149.4	177.4	66.9	-176.1	-178.5	176.6	1.8	111.5	P532 S708 Y710 R733 N776 P777 D778	P532-R737 WeakPolarHBondContact CG-O 3.5Å; S708-R737 PolarHBondContact OG-NH2 3.47Å; S708-R737 VanDerWaalsContact OG-NH2 3.16Å; Y710-R737 PolarHBondContact OH-NH1 3.47Å; Y710-R737 VanDerWaalsContact OH-NH1 3.16Å; Y710-R737 PolarHBondContact OH-NH2 3.09Å; R733-R737 HydrophobicContact CG-CB 4.4Å; R733-R737 WeakPolarHBondContact O-CB 3.33Å; R733-R737 VanDerWaalsContact O-CG 3.24Å; R733-R737 WeakPolarHBondContact O-CG 3.43Å; R733-R737 PolarHBondContact O-N 3.08Å; R737-N776 PolarHBondContact NH1-OD1 3.03Å; R737-N776 VanDerWaalsContact NH1-OD1 3.13Å; R737-P777 HydrophobicContact CB-CG 3.96Å; R737-P777 HydrophobicContact CG-CG 4.42Å; R737-D778 WeakPolarHBondContact CD-OD2 3.46Å; R737-D778 IonicContact CZ-OD2 2.78Å; R737-D778 IonicContact NE-OD2 3.83Å; R737-D778 IonicContact NH1-OD2 2.74Å; R737-D778 PolarHBondContact NH1-OD2 2.88Å
738	K	96.3	Very high	97.5	Very high	106 Å²	106	35.7 Å²	35.7	46%	0.461	16%	0.156	S	C	.	.			trans	-54.2	151.3	171.1	-63	179.8	-170.5	133.3	0	110.4	F409 D411 P777	F409-K738 HydrophobicContact CE1-CB 4.14Å; D411-K738 VanDerWaalsContact OD1-CD 3.28Å; D411-K738 WeakPolarHBondContact OD1-CD 3.49Å; D411-K738 VanDerWaalsContact OD1-CE 3.32Å; D411-K738 WeakPolarHBondContact OD1-CE 3.38Å; D411-K738 IonicContact OD1-NZ 2.67Å; D411-K738 PolarHBondContact OD1-NZ 2.8Å; K738-P777 HydrophobicContact CB-CG 4.49Å; K738-P777 WeakPolarHBondContact O-CD 3.4Å
739	I	98.3	Very high	97.6	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.031	15%	0.145	C	C	.	.			trans	-146.9	142.9	176.6	-168.7	167.8	0	0	0	110	P532 F741 N774	P532-I739 HydrophobicContact CB-CG2 4.06Å; P532-I739 HydrophobicContact CG-CG2 4.33Å; I739-F741 HydrophobicContact CD1-CZ 4.33Å; I739-F741 HydrophobicContact CG2-CD2 4.46Å; I739-F741 HydrophobicContact CG2-CE2 3.62Å; I739-F741 HydrophobicContact CG2-CZ 3.92Å; I739-N774 HydrophobicContact CD1-CB 4.16Å; I739-N774 WeakPolarHBondContact CD1-ND2 3.18Å; I739-N774 HydrophobicContact CG1-CB 4.32Å
740	G	98.2	Very high	97.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	143.8	165.3	0	0	0	0	0	110.5	N774 V775 T806	G740-N774 CarbonylContact O-C 3.36Å; G740-N774 VanDerWaalsContact O-CA 3.23Å; G740-N774 WeakPolarHBondContact O-CA 3.33Å; G740-N774 PolarHBondContact O-ND2 3.32Å; G740-V775 PolarHBondContact N-O 3.03Å; G740-V775 PolarHBondContact O-N 3.42Å; G740-T806 CarbonylContact C-O 3.55Å; G740-T806 WeakPolarHBondContact CA-O 3.37Å
741	F	98.4	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	159.5	176.5	-62.8	-93.8	0	0	0	110.8	Q497 A499 Y501 I739 A743 P773 N774 T806	Q497-F741 HydrophobicContact CG-CB 3.92Å; Q497-F741 HydrophobicContact CG-CG 4.42Å; A499-F741 HydrophobicContact CB-CE2 3.78Å; A499-F741 HydrophobicContact CB-CZ 3.75Å; Y501-F741 HydrophobicContact CE1-CZ 4.22Å; I739-F741 HydrophobicContact CD1-CZ 4.33Å; I739-F741 HydrophobicContact CG2-CD2 4.46Å; I739-F741 HydrophobicContact CG2-CE2 3.62Å; I739-F741 HydrophobicContact CG2-CZ 3.92Å; F741-A743 PolarHBondContact O-N 2.8Å; F741-A743 VanDerWaalsContact O-N 3.1Å; F741-P773 CarbonylContact C-O 3.59Å; F741-N774 WeakPolarHBondContact CD1-ND2 3.24Å; F741-N774 WeakPolarHBondContact CE1-ND2 3.49Å; F741-N774 WeakPolarHBondContact CG-ND2 3.4Å; F741-T806 PolarHBondContact N-O 3.38Å; F741-T806 PolarHBondContact O-N 2.69Å
742	E	96.5	Very high	97.5	Very high	16 Å²	16	32.4 Å²	32.4	8%	0.075	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.1	46.3	173.4	49	-179.3	-169.7	0	0	112.6	R494 Q497 Q680 P773 T806 R812	R494-E742 IonicContact CZ-OE2 3.17Å; R494-E742 VanDerWaalsContact CZ-OE2 3.29Å; R494-E742 IonicContact NE-OE2 2.8Å; R494-E742 PolarHBondContact NE-OE2 3.26Å; R494-E742 IonicContact NH2-OE2 2.74Å; R494-E742 PolarHBondContact NH2-OE2 3.16Å; Q497-E742 HydrophobicContact CG-CG 4.11Å; Q497-E742 PolarHBondContact N-OE1 2.99Å; Q497-E742 VanDerWaalsContact N-OE1 3.13Å; Q497-E742 PolarHBondContact NE2-OE2 3.45Å; Q680-E742 HydrophobicContact CB-CB 3.96Å; Q680-E742 HydrophobicContact CG-CB 3.82Å; E742-P773 PolarHBondContact N-O 3.38Å; E742-T806 WeakPolarHBondContact CG-OG1 3.41Å; E742-T806 WeakPolarHBondContact OE1-CB 3.5Å; E742-T806 PolarHBondContact OE1-OG1 2.88Å; E742-R812 PolarHBondContact O-NH1 3.21Å; E742-R812 PolarHBondContact O-NH2 2.95Å
743	A	97.9	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	152.2	-170.1	0	0	0	0	0	112.2	F741 L772 V775 L803 L804 Y805	F741-A743 PolarHBondContact O-N 2.8Å; F741-A743 VanDerWaalsContact O-N 3.1Å; A743-L772 CarbonylContact C-O 3.57Å; A743-L772 WeakPolarHBondContact CA-O 3.29Å; A743-L772 HydrophobicContact CB-CB 4.04Å; A743-L772 VanDerWaalsContact CB-O 3.24Å; A743-L772 WeakPolarHBondContact CB-O 3.05Å; A743-L772 PolarHBondContact N-O 2.81Å; A743-L772 CarbonylContact O-C 3.59Å; A743-L772 WeakPolarHBondContact O-CA 3.47Å; A743-L772 PolarHBondContact O-N 3.21Å; A743-L772 VanDerWaalsContact O-O 3.1Å; A743-V775 HydrophobicContact CB-CB 4.31Å; A743-V775 HydrophobicContact CB-CG1 3.9Å; A743-L803 HydrophobicContact CB-CD1 4.21Å; A743-L804 CarbonylContact C-O 3.51Å; A743-L804 WeakPolarHBondContact CA-O 3.43Å; A743-L804 WeakPolarHBondContact CB-O 3.47Å; A743-Y805 VanDerWaalsContact CB-CB 3.5Å
744	V	97.8	Very high	97.4	Very high	39 Å²	39	25 Å²	25	24%	0.236	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.1	169.3	-65.1	0	0	0	0	109.8	L769 L770 L804	V744-L769 HydrophobicContact CB-CD1 3.98Å; V744-L769 HydrophobicContact CG2-CD1 4.34Å; V744-L770 CarbonylContact C-O 3.49Å; V744-L770 WeakPolarHBondContact CA-O 3.42Å; V744-L770 WeakPolarHBondContact CB-O 3.29Å; V744-L804 HydrophobicContact CG2-CB 3.99Å; V744-L804 HydrophobicContact CG2-CD2 4.01Å; V744-L804 HydrophobicContact CG2-CG 4.37Å; V744-L804 PolarHBondContact N-O 2.79Å; V744-L804 PolarHBondContact O-N 2.86Å
745	M	98.1	Very high	97.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.2	172.5	-175.1	165.7	64	0	0	109.7	P408 L770 L772 F781 A802 L803	P408-M745 HydrophobicContact CB-SD 3.91Å; P408-M745 HydrophobicContact CG-CE 4.33Å; P408-M745 HydrophobicContact CG-SD 3.77Å; M745-L770 HydrophobicContact CB-CB 4.5Å; M745-L770 HydrophobicContact CE-CD1 3.88Å; M745-L770 PolarHBondContact N-O 3.33Å; M745-L770 PolarHBondContact O-N 2.85Å; M745-L772 HydrophobicContact CB-CD1 3.77Å; M745-F781 HydrophobicContact CE-CB 4.38Å; M745-F781 HydrophobicContact CE-CD1 4.39Å; M745-F781 HydrophobicContact CE-CD2 3.84Å; M745-F781 HydrophobicContact CE-CE2 4.22Å; M745-F781 HydrophobicContact CE-CG 3.94Å; M745-A802 WeakPolarHBondContact CA-O 3.43Å; M745-L803 HydrophobicContact CB-CD1 4.11Å
746	R	97.6	Very high	97.1	Very high	79 Å²	79	32.3 Å²	32.3	30%	0.298	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.7	171.3	-170.9	178.7	-72.6	-114.4	-1.5	109.8	D768 L769 A802	R746-D768 VanDerWaalsContact CA-O 3.31Å; R746-D768 WeakPolarHBondContact CA-O 3.5Å; R746-D768 WeakPolarHBondContact CD-OD2 3.24Å; R746-D768 HydrophobicContact CG-CB 4.3Å; R746-D768 WeakPolarHBondContact CG-O 3.32Å; R746-D768 VanDerWaalsContact CG-OD2 3.29Å; R746-D768 WeakPolarHBondContact CG-OD2 3.07Å; R746-D768 IonicContact CZ-OD1 2.65Å; R746-D768 IonicContact CZ-OD2 2.64Å; R746-D768 IonicContact NE-OD2 3.42Å; R746-D768 IonicContact NH1-OD1 3.91Å; R746-D768 PolarHBondContact NH1-OD1 3.42Å; R746-D768 IonicContact NH1-OD2 2.63Å; R746-D768 PolarHBondContact NH1-OD2 3.03Å; R746-L769 HydrophobicContact CB-CD1 3.92Å; R746-L769 HydrophobicContact CG-CD1 4.48Å; R746-A802 PolarHBondContact N-O 3.31Å; R746-A802 PolarHBondContact O-N 3.45Å
747	I	97.4	Very high	97	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.8	171.8	-60.8	176.6	0	0	0	108.4	L404 L406 I755 F758 D768 V783 Q800 A801	L404-I747 HydrophobicContact CD1-CG2 4.19Å; L406-I747 HydrophobicContact CD1-CD1 3.92Å; L406-I747 HydrophobicContact CD2-CD1 3.73Å; L406-I747 HydrophobicContact CD2-CG1 4.33Å; I747-I755 HydrophobicContact CB-CD1 4Å; I747-I755 HydrophobicContact CG2-CD1 4.28Å; I747-F758 HydrophobicContact CD1-CE1 4.06Å; I747-D768 PolarHBondContact N-O 3.34Å; I747-V783 HydrophobicContact CD1-CG2 3.8Å; I747-Q800 WeakPolarHBondContact CA-O 3.38Å; I747-A801 HydrophobicContact CG1-CB 4.14Å
748	R	97.9	Very high	97	Very high	36 Å²	36	32.6 Å²	32.6	14%	0.136	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149.7	171.2	-61.7	179.7	179.1	76.4	-1.6	109.4	C429 R430 T431 L449 F799 Q800	C429-R748 PolarHBondContact O-NE 3.11Å; R430-R748 PolarHBondContact O-NH2 3.44Å; T431-R748 VanDerWaalsContact OG1-CD 3.31Å; T431-R748 WeakPolarHBondContact OG1-CD 3.4Å; L449-R748 HydrophobicContact CD2-CB 3.6Å; R748-F799 CarbonylContact O-C 3.58Å; R748-F799 WeakPolarHBondContact O-CA 3.14Å; R748-Q800 PolarHBondContact N-O 3.11Å; R748-Q800 PolarHBondContact O-N 3.16Å
749	C	97.6	Very high	97	Very high	25 Å²	25	27.7 Å²	27.7	17%	0.169	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	168.8	175.6	43.8	0	0	0	0	110.6	L449 L753 M785 S798 F799	L449-C749 WeakPolarHBondContact CD2-O 3.46Å; C749-L753 HydrophobicContact CB-CB 3.91Å; C749-L753 HydrophobicContact CB-CD1 4.47Å; C749-L753 PolarHBondContact SG-O 2.95Å; C749-M785 HydrophobicContact CB-CE 4.08Å; C749-S798 CarbonylContact C-O 3.56Å; C749-S798 WeakPolarHBondContact CA-O 3.25Å; C749-F799 HydrophobicContact CB-CD1 3.73Å; C749-F799 HydrophobicContact CB-CE1 3.94Å
750	T	97.9	Very high	97	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.134	C	C	.	.			trans	-62.5	144.7	171.5	-69.3	0	0	0	0	111.1	N448 L449 Y451 G752 L753 V797 S798	N448-T750 PolarHBondContact O-OG1 2.78Å; L449-T750 CarbonylContact O-C 3.54Å; L449-T750 WeakPolarHBondContact O-CA 3.44Å; Y451-T750 HydrophobicContact CE2-CG2 3.91Å; Y451-T750 WeakPolarHBondContact OH-CG2 3.23Å; T750-G752 PolarHBondContact O-N 3.5Å; T750-L753 WeakPolarHBondContact O-CB 3.45Å; T750-L753 PolarHBondContact O-N 2.94Å; T750-V797 HydrophobicContact CG2-CB 4.37Å; T750-V797 HydrophobicContact CG2-CG1 3.9Å; T750-S798 PolarHBondContact N-O 3.45Å; T750-S798 VanDerWaalsContact N-O 3.1Å; T750-S798 PolarHBondContact OG1-N 2.89Å
751	K	95.4	Very high	96.9	Very high	123 Å²	123	27.9 Å²	27.9	54%	0.535	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	135	175	179.7	172.5	-172.6	-65.4	0	110.8	L449 E789	L449-K751 PolarHBondContact O-N 3.44Å; K751-E789 WeakPolarHBondContact CE-OE2 3.38Å; K751-E789 WeakPolarHBondContact CG-OE2 3.44Å; K751-E789 IonicContact NZ-OE1 3.78Å; K751-E789 PolarHBondContact NZ-OE1 3.01Å; K751-E789 IonicContact NZ-OE2 2.76Å; K751-E789 PolarHBondContact NZ-OE2 2.84Å
752	G	95.4	Very high	96.8	Very high	6 Å²	6	28.7 Å²	28.7	6%	0.062	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-20.5	-171.8	0	0	0	0	0	114.3	T750 I787 E788 E789	T750-G752 PolarHBondContact O-N 3.5Å; G752-I787 CarbonylContact O-C 3.5Å; G752-I787 WeakPolarHBondContact O-CA 3.04Å; G752-E788 PolarHBondContact O-N 3.47Å; G752-E789 PolarHBondContact N-OE2 3.43Å; G752-E789 PolarHBondContact O-N 3.32Å
753	L	97.3	Very high	96.7	Very high	13 Å²	13	30.8 Å²	30.8	7%	0.068	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	145.6	169.1	-67.1	160.9	0	0	0	111.1	L402 C749 T750 S786 I787 L791 V797 F799	L402-L753 HydrophobicContact CD2-CD2 4.1Å; C749-L753 HydrophobicContact CB-CB 3.91Å; C749-L753 HydrophobicContact CB-CD1 4.47Å; C749-L753 PolarHBondContact SG-O 2.95Å; T750-L753 WeakPolarHBondContact O-CB 3.45Å; T750-L753 PolarHBondContact O-N 2.94Å; L753-S786 WeakPolarHBondContact CA-O 3.32Å; L753-I787 HydrophobicContact CD2-CG1 3.81Å; L753-L791 HydrophobicContact CD2-CD1 4.49Å; L753-L791 HydrophobicContact CG-CD1 4.46Å; L753-V797 HydrophobicContact CD1-CB 3.88Å; L753-V797 HydrophobicContact CD1-CG1 3.86Å; L753-V797 HydrophobicContact CD1-CG2 4.02Å; L753-F799 HydrophobicContact CD1-CE1 3.89Å; L753-F799 HydrophobicContact CD1-CE2 4.47Å; L753-F799 HydrophobicContact CD1-CZ 3.64Å
754	S	96.2	Very high	96.3	Very high	15 Å²	15	33.7 Å²	33.7	11%	0.105	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.8	176.3	72.3	0	0	0	0	113.3	M785 S786 E788	S754-M785 WeakPolarHBondContact O-CA 3.39Å; S754-M785 WeakPolarHBondContact O-CE 3.22Å; S754-S786 PolarHBondContact N-O 3.33Å; S754-S786 PolarHBondContact O-N 2.91Å; S754-S786 PolarHBondContact OG-OG 3.39Å; S754-E788 WeakPolarHBondContact CB-OE1 3.27Å; S754-E788 WeakPolarHBondContact OG-CG 3.33Å; S754-E788 PolarHBondContact OG-OE1 3.06Å
755	I	95.9	Very high	95.8	Very high	29 Å²	29	37.3 Å²	37.3	15%	0.149	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.5	177.1	-63.9	164.7	0	0	0	108.7	I747 F758 D768 V783 M785	I747-I755 HydrophobicContact CB-CD1 4Å; I747-I755 HydrophobicContact CG2-CD1 4.28Å; I755-F758 HydrophobicContact CD1-CZ 4.03Å; I755-F758 HydrophobicContact CG2-CD2 4.08Å; I755-F758 HydrophobicContact CG2-CE1 4.49Å; I755-F758 HydrophobicContact CG2-CE2 3.73Å; I755-F758 HydrophobicContact CG2-CZ 3.96Å; I755-D768 HydrophobicContact CD1-CB 4.01Å; I755-V783 HydrophobicContact CG1-CG1 4.44Å; I755-V783 HydrophobicContact CG2-CG1 3.65Å; I755-M785 HydrophobicContact CB-SD 4.27Å; I755-M785 HydrophobicContact CG1-CE 3.77Å; I755-M785 HydrophobicContact CG1-SD 3.67Å
756	H	94	Very high	95.2	Very high	123 Å²	123	39.3 Å²	39.3	57%	0.569	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	-49.7	179.9	-174.3	-64	0	0	0	112.2	Q784	H756-Q784 HydrophobicContact CB-CB 4.42Å; H756-Q784 HydrophobicContact CB-CG 4.27Å; H756-Q784 PolarHBondContact N-O 3.38Å
757	T	95.7	Very high	94.7	Very high	40 Å²	40	41.2 Å²	41.2	25%	0.245	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	135.6	-175.2	-41.1	0	0	0	0	110.8	H759 V783 Q784	T757-H759 VanDerWaalsContact CG2-CE1 3.41Å; T757-H759 WeakPolarHBondContact CG2-CE1 3.29Å; T757-V783 CarbonylContact O-C 3.49Å; T757-V783 VanDerWaalsContact O-CA 3.28Å; T757-V783 WeakPolarHBondContact O-CA 3.08Å; T757-V783 WeakPolarHBondContact O-CG1 3.24Å; T757-Q784 PolarHBondContact N-O 3.38Å; T757-Q784 PolarHBondContact O-N 3.01Å; T757-Q784 PolarHBondContact OG1-OE1 3.36Å
758	F	96.8	Very high	94.2	Very high	24 Å²	24	42.8 Å²	42.8	11%	0.105	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.5	165.4	-71.4	-85.2	0	0	0	110.9	I747 I755 F762 T767 L770 V783	I747-F758 HydrophobicContact CD1-CE1 4.06Å; I755-F758 HydrophobicContact CD1-CZ 4.03Å; I755-F758 HydrophobicContact CG2-CD2 4.08Å; I755-F758 HydrophobicContact CG2-CE1 4.49Å; I755-F758 HydrophobicContact CG2-CE2 3.73Å; I755-F758 HydrophobicContact CG2-CZ 3.96Å; F758-F762 HydrophobicContact CB-CE1 3.94Å; F758-F762 HydrophobicContact CB-CE2 3.96Å; F758-F762 HydrophobicContact CB-CZ 3.37Å; F758-T767 WeakPolarHBondContact CE2-O 3.37Å; F758-L770 HydrophobicContact CB-CD2 4.24Å; F758-L770 HydrophobicContact CD1-CD1 3.76Å; F758-L770 HydrophobicContact CD1-CD2 3.91Å; F758-L770 HydrophobicContact CD1-CG 4.06Å; F758-L770 HydrophobicContact CD2-CD2 3.83Å; F758-L770 HydrophobicContact CE1-CD1 3.9Å; F758-L770 HydrophobicContact CE1-CD2 4.09Å; F758-L770 HydrophobicContact CE1-CG 3.92Å; F758-L770 HydrophobicContact CE2-CD2 4Å; F758-L770 HydrophobicContact CG-CD1 4.4Å; F758-L770 HydrophobicContact CG-CD2 3.77Å; F758-L770 HydrophobicContact CG-CG 4.43Å; F758-L770 HydrophobicContact CZ-CD2 4.13Å; F758-L770 HydrophobicContact CZ-CG 4.16Å; F758-V783 HydrophobicContact CD1-CB 4.47Å; F758-V783 HydrophobicContact CD1-CG1 4.06Å; F758-V783 HydrophobicContact CD1-CG2 3.66Å; F758-V783 HydrophobicContact CE1-CG1 4.22Å; F758-V783 HydrophobicContact CE1-CG2 4Å
759	H	97.7	Very high	93.9	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.014	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	125.8	176.4	-46.4	-87.6	0	0	0	109.8	T757 A782 C845 D849 K927	T757-H759 VanDerWaalsContact CG2-CE1 3.41Å; T757-H759 WeakPolarHBondContact CG2-CE1 3.29Å; H759-A782 WeakPolarHBondContact CA-O 3.45Å; H759-A782 HydrophobicContact CB-CB 4.25Å; H759-A782 PolarHBondContact CD2-O 3.42Å; H759-A782 PolarHBondContact N-O 3.47Å; H759-A782 PolarHBondContact O-N 3.1Å; H759-C845 HydrophobicContact CB-CB 3.77Å; H759-D849 IonicContact CE1-OD2 3.71Å; H759-D849 IonicContact CG-OD2 2.83Å; H759-D849 IonicContact ND1-OD2 2.7Å; H759-D849 PolarHBondContact ND1-OD2 3.28Å; H759-K927 HydrophobicContact CB-CD 4.38Å; H759-K927 VanDerWaalsContact CB-NZ 3.3Å; H759-K927 PolarHBondContact ND1-NZ 2.96Å
760	G	96.6	Very high	93.8	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.031	21%	0.212	C	C	.	.	S	Bend	trans	152.6	-166.5	-175.1	0	0	0	0	0	111.7	F762 K927	G760-F762 VanDerWaalsContact CA-CE1 3.49Å; G760-K927 WeakPolarHBondContact CA-O 3.2Å
761	N	97.4	Very high	93.8	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	21%	0.212	C	C	.	.	S	Bend	trans	-105.3	115.1	173	-67	0.7	0	0	0	109.7	R703 G707 Y928	R703-N761 CarbonylContact O-C 3.56Å; R703-N761 VanDerWaalsContact O-CA 3.23Å; R703-N761 WeakPolarHBondContact O-CA 3.49Å; G707-N761 PolarHBondContact O-ND2 2.91Å; N761-Y928 HydrophobicContact CB-CD2 4.24Å
762	F	96.4	Very high	93.9	Very high	18 Å²	18	35.6 Å²	35.6	8%	0.079	19%	0.187	C	C	.	.	S	Bend	trans	-174.5	174.1	-175.1	46	-110	0	0	0	110.4	R703 F758 G760 V764 L770 L772 F781	R703-F762 PolarHBondContact O-N 3.07Å; F758-F762 HydrophobicContact CB-CE1 3.94Å; F758-F762 HydrophobicContact CB-CE2 3.96Å; F758-F762 HydrophobicContact CB-CZ 3.37Å; G760-F762 VanDerWaalsContact CA-CE1 3.49Å; F762-V764 HydrophobicContact CD2-CG2 3.81Å; F762-V764 HydrophobicContact CE2-CG2 3.61Å; F762-L770 HydrophobicContact CB-CB 4.27Å; F762-L770 HydrophobicContact CB-CD1 4.41Å; F762-L770 HydrophobicContact CB-CD2 4.36Å; F762-L770 HydrophobicContact CD1-CD1 3.69Å; F762-L770 HydrophobicContact CD1-CD2 4.16Å; F762-L770 HydrophobicContact CD1-CG 4.47Å; F762-L770 HydrophobicContact CD2-CD2 3.71Å; F762-L770 HydrophobicContact CE1-CD1 4.12Å; F762-L770 HydrophobicContact CE1-CD2 4.43Å; F762-L770 HydrophobicContact CE2-CD2 4.05Å; F762-L770 HydrophobicContact CG-CD1 4.03Å; F762-L770 HydrophobicContact CG-CD2 3.8Å; F762-L770 HydrophobicContact CG-CG 4.35Å; F762-L770 HydrophobicContact CZ-CD2 4.42Å; F762-L772 HydrophobicContact CB-CD2 3.79Å; F762-F781 AromaticContact CD1-CD1 3.85Å; F762-F781 HydrophobicContact CD1-CD1 3.85Å; F762-F781 AromaticContact CD1-CE1 3.96Å; F762-F781 HydrophobicContact CD1-CE1 3.96Å; F762-F781 HydrophobicContact CE1-CD1 4.19Å
763	F	93.3	Very high	94	Very high	60 Å²	60	35.3 Å²	35.3	26%	0.263	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.9	157.9	176.7	-140.3	0	0	0	110.8	L674 S677 S771	L674-F763 HydrophobicContact CD2-CB 4.3Å; L674-F763 HydrophobicContact CD2-CD1 4.06Å; L674-F763 HydrophobicContact CD2-CD2 3.31Å; L674-F763 HydrophobicContact CD2-CE1 4.22Å; L674-F763 HydrophobicContact CD2-CE2 3.52Å; L674-F763 HydrophobicContact CD2-CG 3.63Å; L674-F763 HydrophobicContact CD2-CZ 3.98Å; S677-F763 WeakPolarHBondContact OG-CB 3.16Å; F763-S771 PolarHBondContact N-O 2.97Å; F763-S771 WeakPolarHBondContact O-CA 3.47Å; F763-S771 VanDerWaalsContact O-CB 3.27Å; F763-S771 WeakPolarHBondContact O-CB 3.5Å; F763-S771 PolarHBondContact O-N 3.48Å
764	V	90.9	Very high	94	Very high	61 Å²	61	35 Å²	35	37%	0.37	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	127.1	179	-175.2	0	0	0	0	109.8	F762 S766 L770	F762-V764 HydrophobicContact CD2-CG2 3.81Å; F762-V764 HydrophobicContact CE2-CG2 3.61Å; V764-S766 WeakPolarHBondContact CG1-O 3.15Å; V764-L770 HydrophobicContact CG2-CD2 3.98Å
765	R	85.9	Confident	94.1	Very high	114 Å²	114	34.4 Å²	34.4	43%	0.43	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-33	-179.9	-65.1	-73	-172.8	-179.2	-6.8	113	S677 L769 S771	S677-R765 VanDerWaalsContact C-NH2 3.31Å; S677-R765 PolarHBondContact O-NH2 3.3Å; R765-L769 HydrophobicContact CB-CB 4.41Å; R765-L769 HydrophobicContact CB-CD2 3.88Å; R765-L769 HydrophobicContact CB-CG 4.19Å; R765-L769 PolarHBondContact N-O 3.07Å; R765-S771 PolarHBondContact NE-OG 3.33Å; R765-S771 PolarHBondContact NH2-OG 3.41Å
766	S	86.9	Confident	94.1	Very high	43 Å²	43	33.4 Å²	33.4	30%	0.301	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	172.5	167.8	56	0	0	0	0	109.1	V764 D768 L769	V764-S766 WeakPolarHBondContact CG1-O 3.15Å; S766-D768 PolarHBondContact O-N 2.94Å; S766-D768 PolarHBondContact OG-OD1 2.55Å; S766-L769 PolarHBondContact N-O 2.82Å; S766-L769 PolarHBondContact O-N 3.36Å; S766-L769 VanDerWaalsContact O-N 3.09Å; S766-L769 WeakPolarHBondContact OG-CB 3.43Å
767	T	85.3	Confident	94.3	Very high	119 Å²	119	27.6 Å²	27.6	73%	0.73	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-17.5	179.1	46.8	0	0	0	0	114.8	F758	F758-T767 WeakPolarHBondContact CE2-O 3.37Å
768	D	86.9	Confident	94.3	Very high	35 Å²	35	26.2 Å²	26.2	19%	0.187	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-2.9	179	73.1	-30.5	0	0	0	115	R746 I747 I755 S766	R746-D768 VanDerWaalsContact CA-O 3.31Å; R746-D768 WeakPolarHBondContact CA-O 3.5Å; R746-D768 WeakPolarHBondContact CD-OD2 3.24Å; R746-D768 HydrophobicContact CG-CB 4.3Å; R746-D768 WeakPolarHBondContact CG-O 3.32Å; R746-D768 VanDerWaalsContact CG-OD2 3.29Å; R746-D768 WeakPolarHBondContact CG-OD2 3.07Å; R746-D768 IonicContact CZ-OD1 2.65Å; R746-D768 IonicContact CZ-OD2 2.64Å; R746-D768 IonicContact NE-OD2 3.42Å; R746-D768 IonicContact NH1-OD1 3.91Å; R746-D768 PolarHBondContact NH1-OD1 3.42Å; R746-D768 IonicContact NH1-OD2 2.63Å; R746-D768 PolarHBondContact NH1-OD2 3.03Å; I747-D768 PolarHBondContact N-O 3.34Å; I755-D768 HydrophobicContact CD1-CB 4.01Å; S766-D768 PolarHBondContact O-N 2.94Å; S766-D768 PolarHBondContact OG-OD1 2.55Å
769	L	92.4	Very high	94.3	Very high	30 Å²	30	25.3 Å²	25.3	16%	0.157	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.8	-168.7	-173.9	70.7	0	0	0	113.1	V744 R746 R765 S766	V744-L769 HydrophobicContact CB-CD1 3.98Å; V744-L769 HydrophobicContact CG2-CD1 4.34Å; R746-L769 HydrophobicContact CB-CD1 3.92Å; R746-L769 HydrophobicContact CG-CD1 4.48Å; R765-L769 HydrophobicContact CB-CB 4.41Å; R765-L769 HydrophobicContact CB-CD2 3.88Å; R765-L769 HydrophobicContact CB-CG 4.19Å; R765-L769 PolarHBondContact N-O 3.07Å; S766-L769 PolarHBondContact N-O 2.82Å; S766-L769 PolarHBondContact O-N 3.36Å; S766-L769 VanDerWaalsContact O-N 3.09Å; S766-L769 WeakPolarHBondContact OG-CB 3.43Å
770	L	96.1	Very high	94.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.6	172.8	-56.9	-176.7	0	0	0	111.4	V744 M745 F758 F762 V764 L772 F781	V744-L770 CarbonylContact C-O 3.49Å; V744-L770 WeakPolarHBondContact CA-O 3.42Å; V744-L770 WeakPolarHBondContact CB-O 3.29Å; M745-L770 HydrophobicContact CB-CB 4.5Å; M745-L770 HydrophobicContact CE-CD1 3.88Å; M745-L770 PolarHBondContact N-O 3.33Å; M745-L770 PolarHBondContact O-N 2.85Å; F758-L770 HydrophobicContact CB-CD2 4.24Å; F758-L770 HydrophobicContact CD1-CD1 3.76Å; F758-L770 HydrophobicContact CD1-CD2 3.91Å; F758-L770 HydrophobicContact CD1-CG 4.06Å; F758-L770 HydrophobicContact CD2-CD2 3.83Å; F758-L770 HydrophobicContact CE1-CD1 3.9Å; F758-L770 HydrophobicContact CE1-CD2 4.09Å; F758-L770 HydrophobicContact CE1-CG 3.92Å; F758-L770 HydrophobicContact CE2-CD2 4Å; F758-L770 HydrophobicContact CG-CD1 4.4Å; F758-L770 HydrophobicContact CG-CD2 3.77Å; F758-L770 HydrophobicContact CG-CG 4.43Å; F758-L770 HydrophobicContact CZ-CD2 4.13Å; F758-L770 HydrophobicContact CZ-CG 4.16Å; F762-L770 HydrophobicContact CB-CB 4.27Å; F762-L770 HydrophobicContact CB-CD1 4.41Å; F762-L770 HydrophobicContact CB-CD2 4.36Å; F762-L770 HydrophobicContact CD1-CD1 3.69Å; F762-L770 HydrophobicContact CD1-CD2 4.16Å; F762-L770 HydrophobicContact CD1-CG 4.47Å; F762-L770 HydrophobicContact CD2-CD2 3.71Å; F762-L770 HydrophobicContact CE1-CD1 4.12Å; F762-L770 HydrophobicContact CE1-CD2 4.43Å; F762-L770 HydrophobicContact CE2-CD2 4.05Å; F762-L770 HydrophobicContact CG-CD1 4.03Å; F762-L770 HydrophobicContact CG-CD2 3.8Å; F762-L770 HydrophobicContact CG-CG 4.35Å; F762-L770 HydrophobicContact CZ-CD2 4.42Å; V764-L770 HydrophobicContact CG2-CD2 3.98Å; L770-L772 HydrophobicContact CB-CG 4.47Å; L770-F781 HydrophobicContact CD1-CD1 4.5Å
771	S	97	Very high	94.4	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124	162.9	-136.6	0	0	0	0	108.8	F763 R765	F763-S771 PolarHBondContact N-O 2.97Å; F763-S771 WeakPolarHBondContact O-CA 3.47Å; F763-S771 VanDerWaalsContact O-CB 3.27Å; F763-S771 WeakPolarHBondContact O-CB 3.5Å; F763-S771 PolarHBondContact O-N 3.48Å; R765-S771 PolarHBondContact NE-OG 3.33Å; R765-S771 PolarHBondContact NH2-OG 3.41Å
772	L	97.8	Very high	94.4	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	78.3	178	-64	175	0	0	0	109	A706 A743 M745 F762 L770 N774 V775 F781 L803	A706-L772 HydrophobicContact CB-CB 4.41Å; A706-L772 HydrophobicContact CB-CD2 3.73Å; A743-L772 CarbonylContact C-O 3.57Å; A743-L772 WeakPolarHBondContact CA-O 3.29Å; A743-L772 HydrophobicContact CB-CB 4.04Å; A743-L772 VanDerWaalsContact CB-O 3.24Å; A743-L772 WeakPolarHBondContact CB-O 3.05Å; A743-L772 PolarHBondContact N-O 2.81Å; A743-L772 CarbonylContact O-C 3.59Å; A743-L772 WeakPolarHBondContact O-CA 3.47Å; A743-L772 PolarHBondContact O-N 3.21Å; A743-L772 VanDerWaalsContact O-O 3.1Å; M745-L772 HydrophobicContact CB-CD1 3.77Å; F762-L772 HydrophobicContact CB-CD2 3.79Å; L770-L772 HydrophobicContact CB-CG 4.47Å; L772-N774 CarbonylContact C-O 3.38Å; L772-N774 CarbonylContact O-C 3.51Å; L772-N774 PolarHBondContact O-N 3.42Å; L772-V775 HydrophobicContact CD1-CB 4.5Å; L772-V775 HydrophobicContact CD1-CG2 4.36Å; L772-F781 HydrophobicContact CD1-CZ 4.28Å; L772-F781 HydrophobicContact CD2-CE1 3.94Å; L772-F781 HydrophobicContact CD2-CZ 3.92Å; L772-L803 HydrophobicContact CD1-CD1 3.9Å
773	P	97.6	Very high	94.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-46.1	-40	180	-32.4	37.5	0	0	0	113.9	S677 V681 A682 S705 F741 E742	S677-P773 WeakPolarHBondContact OG-CG 3.44Å; V681-P773 VanDerWaalsContact C-CB 3.43Å; V681-P773 VanDerWaalsContact O-CB 3.31Å; V681-P773 WeakPolarHBondContact O-CB 3.27Å; A682-P773 HydrophobicContact CB-CB 4.16Å; S705-P773 WeakPolarHBondContact O-CD 3.28Å; S705-P773 WeakPolarHBondContact O-CG 3.31Å; F741-P773 CarbonylContact C-O 3.59Å; E742-P773 PolarHBondContact N-O 3.38Å
774	N	97.6	Very high	94.7	Very high	6 Å²	6	24 Å²	24	3%	0.032	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	158.7	153.6	-78.1	121.3	0	0	0	111.5	G627 R628 A682 I739 G740 F741 L772	G627-N774 PolarHBondContact O-OD1 3.35Å; R628-N774 WeakPolarHBondContact CB-OD1 3.29Å; A682-N774 HydrophobicContact CB-CB 3.7Å; A682-N774 WeakPolarHBondContact CB-OD1 3.26Å; I739-N774 HydrophobicContact CD1-CB 4.16Å; I739-N774 WeakPolarHBondContact CD1-ND2 3.18Å; I739-N774 HydrophobicContact CG1-CB 4.32Å; G740-N774 CarbonylContact O-C 3.36Å; G740-N774 VanDerWaalsContact O-CA 3.23Å; G740-N774 WeakPolarHBondContact O-CA 3.33Å; G740-N774 PolarHBondContact O-ND2 3.32Å; F741-N774 WeakPolarHBondContact CD1-ND2 3.24Å; F741-N774 WeakPolarHBondContact CE1-ND2 3.49Å; F741-N774 WeakPolarHBondContact CG-ND2 3.4Å; L772-N774 CarbonylContact C-O 3.38Å; L772-N774 CarbonylContact O-C 3.51Å; L772-N774 PolarHBondContact O-N 3.42Å
775	V	97.8	Very high	95	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.024	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139	165	65.1	0	0	0	0	109	F409 G740 A743 L772 L803	F409-V775 HydrophobicContact CB-CG2 3.8Å; F409-V775 HydrophobicContact CD1-CG1 4.35Å; F409-V775 HydrophobicContact CD1-CG2 4.5Å; F409-V775 HydrophobicContact CG-CG1 4.31Å; F409-V775 HydrophobicContact CG-CG2 4.17Å; G740-V775 PolarHBondContact N-O 3.03Å; G740-V775 PolarHBondContact O-N 3.42Å; A743-V775 HydrophobicContact CB-CB 4.31Å; A743-V775 HydrophobicContact CB-CG1 3.9Å; L772-V775 HydrophobicContact CD1-CB 4.5Å; L772-V775 HydrophobicContact CD1-CG2 4.36Å; V775-L803 HydrophobicContact CB-CD1 4.43Å; V775-L803 HydrophobicContact CG1-CD1 4.27Å; V775-L803 HydrophobicContact CG1-CD2 4.2Å; V775-L803 HydrophobicContact CG2-CD1 4.23Å; V775-L803 HydrophobicContact CG2-CD2 3.99Å
776	N	96.7	Very high	95.5	Very high	7 Å²	7	17 Å²	17	4%	0.037	10%	0.1	C	C	.	.			trans	-133.5	154.2	-174.7	77.5	72.7	0	0	0	111.2	R737 D778 A779 Y928	R737-N776 PolarHBondContact NH1-OD1 3.03Å; R737-N776 VanDerWaalsContact NH1-OD1 3.13Å; N776-D778 PolarHBondContact O-N 3.45Å; N776-D778 VanDerWaalsContact O-N 3.09Å; N776-D778 WeakPolarHBondContact OD1-CA 3.46Å; N776-D778 WeakPolarHBondContact OD1-CB 3.49Å; N776-D778 PolarHBondContact OD1-N 3.46Å; N776-A779 PolarHBondContact O-N 3.2Å; N776-A779 PolarHBondContact OD1-N 3.22Å; N776-Y928 PolarHBondContact ND2-OH 3.43Å; N776-Y928 PolarHBondContact OD1-OH 3.12Å
777	P	97.2	Very high	96	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.013	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	2.1	-170.7	29.6	-38.7	0	0	0	114.4	H407 F409 R737 K738	H407-P777 PolarHBondContact NE2-O 2.71Å; F409-P777 HydrophobicContact CD1-CB 4.39Å; F409-P777 VanDerWaalsContact O-CA 3.27Å; F409-P777 WeakPolarHBondContact O-CA 3.29Å; F409-P777 VanDerWaalsContact O-CB 3.26Å; F409-P777 WeakPolarHBondContact O-CB 3.31Å; R737-P777 HydrophobicContact CB-CG 3.96Å; R737-P777 HydrophobicContact CG-CG 4.42Å; K738-P777 HydrophobicContact CB-CG 4.49Å; K738-P777 WeakPolarHBondContact O-CD 3.4Å
778	D	96.4	Very high	96.5	Very high	11 Å²	11	16.8 Å²	16.8	6%	0.059	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-1.4	-177.3	-46.5	-39.2	0	0	0	111.9	R733 R737 N776 P930 P1043	R733-D778 IonicContact CZ-OD1 3.7Å; R733-D778 IonicContact NE-OD1 3.54Å; R733-D778 PolarHBondContact NE-OD1 2.8Å; R733-D778 IonicContact NE-OD2 3.37Å; R733-D778 PolarHBondContact NE-OD2 2.84Å; R733-D778 IonicContact NH2-OD1 3.9Å; R733-D778 PolarHBondContact NH2-OD1 2.91Å; R737-D778 WeakPolarHBondContact CD-OD2 3.46Å; R737-D778 IonicContact CZ-OD2 2.78Å; R737-D778 IonicContact NE-OD2 3.83Å; R737-D778 IonicContact NH1-OD2 2.74Å; R737-D778 PolarHBondContact NH1-OD2 2.88Å; N776-D778 PolarHBondContact O-N 3.45Å; N776-D778 VanDerWaalsContact O-N 3.09Å; N776-D778 WeakPolarHBondContact OD1-CA 3.46Å; N776-D778 WeakPolarHBondContact OD1-CB 3.49Å; N776-D778 PolarHBondContact OD1-N 3.46Å; D778-P930 VanDerWaalsContact O-CD 3.29Å; D778-P930 WeakPolarHBondContact O-CD 3.39Å; D778-P1043 HydrophobicContact CB-CB 4.31Å; D778-P1043 HydrophobicContact CB-CG 3.94Å; D778-P1043 WeakPolarHBondContact OD1-CB 3.48Å; D778-P1043 WeakPolarHBondContact OD1-CG 3.23Å
779	A	96.9	Very high	97	Very high	5 Å²	5	19.2 Å²	19.2	4%	0.041	10%	0.097	C	C	.	.			trans	-89.6	126.7	-178.2	0	0	0	0	0	112.7	H407 N776 F781 Y928	H407-A779 PolarHBondContact CD2-O 3.11Å; N776-A779 PolarHBondContact O-N 3.2Å; N776-A779 PolarHBondContact OD1-N 3.22Å; A779-F781 HydrophobicContact CB-CE2 4.21Å; A779-F781 HydrophobicContact CB-CZ 4.27Å; A779-Y928 HydrophobicContact CB-CE2 3.79Å
780	G	97.3	Very high	97.1	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.021	11%	0.113	C	C	.	.			trans	-102.8	158.5	168.4	0	0	0	0	0	112.4	L406 Y928	L406-G780 CarbonylContact O-C 3.6Å; L406-G780 WeakPolarHBondContact O-CA 3.31Å; G780-Y928 WeakPolarHBondContact CA-O 3.41Å; G780-Y928 PolarHBondContact N-O 3.43Å
781	F	98.1	Very high	97.1	Very high	14 Å²	14	22.3 Å²	22.3	6%	0.061	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.2	175.5	-54.6	-90.1	0	0	0	109.8	L405 L406 P408 M745 F762 L770 L772 A779	L405-F781 WeakPolarHBondContact CA-O 3.42Å; L406-F781 PolarHBondContact N-O 3.31Å; L406-F781 PolarHBondContact O-N 2.9Å; P408-F781 HydrophobicContact CG-CD2 3.81Å; P408-F781 HydrophobicContact CG-CE2 3.75Å; M745-F781 HydrophobicContact CE-CB 4.38Å; M745-F781 HydrophobicContact CE-CD1 4.39Å; M745-F781 HydrophobicContact CE-CD2 3.84Å; M745-F781 HydrophobicContact CE-CE2 4.22Å; M745-F781 HydrophobicContact CE-CG 3.94Å; F762-F781 AromaticContact CD1-CD1 3.85Å; F762-F781 HydrophobicContact CD1-CD1 3.85Å; F762-F781 AromaticContact CD1-CE1 3.96Å; F762-F781 HydrophobicContact CD1-CE1 3.96Å; F762-F781 HydrophobicContact CE1-CD1 4.19Å; L770-F781 HydrophobicContact CD1-CD1 4.5Å; L772-F781 HydrophobicContact CD1-CZ 4.28Å; L772-F781 HydrophobicContact CD2-CE1 3.94Å; L772-F781 HydrophobicContact CD2-CZ 3.92Å; A779-F781 HydrophobicContact CB-CE2 4.21Å; A779-F781 HydrophobicContact CB-CZ 4.27Å
782	A	98.3	Very high	96.7	Very high	3 Å²	3	26 Å²	26	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.2	170.9	0	0	0	0	0	110.8	L404 L405 H759 L842	L404-A782 CarbonylContact O-C 3.56Å; L404-A782 VanDerWaalsContact O-CA 3.3Å; L404-A782 WeakPolarHBondContact O-CA 3.25Å; L405-A782 HydrophobicContact CD2-CB 4.43Å; L405-A782 HydrophobicContact CG-CB 4.03Å; H759-A782 WeakPolarHBondContact CA-O 3.45Å; H759-A782 HydrophobicContact CB-CB 4.25Å; H759-A782 PolarHBondContact CD2-O 3.42Å; H759-A782 PolarHBondContact N-O 3.47Å; H759-A782 PolarHBondContact O-N 3.1Å; A782-L842 HydrophobicContact CB-CD1 4.26Å
783	V	97.9	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	122.2	-173.7	-168.8	0	0	0	0	110.1	G403 L404 L406 I747 I755 T757 F758 M785	G403-V783 CarbonylContact C-O 3.17Å; G403-V783 WeakPolarHBondContact CA-O 3.24Å; L404-V783 HydrophobicContact CB-CB 4.33Å; L404-V783 PolarHBondContact N-O 3.21Å; L404-V783 PolarHBondContact O-N 2.99Å; L406-V783 HydrophobicContact CD1-CG2 3.79Å; I747-V783 HydrophobicContact CD1-CG2 3.8Å; I755-V783 HydrophobicContact CG1-CG1 4.44Å; I755-V783 HydrophobicContact CG2-CG1 3.65Å; T757-V783 CarbonylContact O-C 3.49Å; T757-V783 VanDerWaalsContact O-CA 3.28Å; T757-V783 WeakPolarHBondContact O-CA 3.08Å; T757-V783 WeakPolarHBondContact O-CG1 3.24Å; F758-V783 HydrophobicContact CD1-CB 4.47Å; F758-V783 HydrophobicContact CD1-CG1 4.06Å; F758-V783 HydrophobicContact CD1-CG2 3.66Å; F758-V783 HydrophobicContact CE1-CG1 4.22Å; F758-V783 HydrophobicContact CE1-CG2 4Å; V783-M785 HydrophobicContact CG1-SD 3.83Å
784	Q	97.8	Very high	95.9	Very high	43 Å²	43	35.2 Å²	35.2	20%	0.201	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	134.1	170.3	-171.6	-174.9	-2.5	0	0	109.6	H756 T757	H756-Q784 HydrophobicContact CB-CB 4.42Å; H756-Q784 HydrophobicContact CB-CG 4.27Å; H756-Q784 PolarHBondContact N-O 3.38Å; T757-Q784 PolarHBondContact N-O 3.38Å; T757-Q784 PolarHBondContact O-N 3.01Å; T757-Q784 PolarHBondContact OG1-OE1 3.36Å
785	M	97.6	Very high	95.8	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.044	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	158.8	-177.8	-58.3	-62.7	-70	0	0	111.5	L402 L404 C749 S754 I755 V783 F799	L402-M785 HydrophobicContact CD2-CB 4.07Å; L402-M785 HydrophobicContact CG-CB 4.05Å; L402-M785 PolarHBondContact O-N 2.6Å; L404-M785 HydrophobicContact CD1-CE 4.35Å; L404-M785 HydrophobicContact CD1-CG 4.11Å; L404-M785 HydrophobicContact CD1-SD 3.9Å; L404-M785 HydrophobicContact CG-CG 3.96Å; L404-M785 HydrophobicContact CG-SD 4.38Å; C749-M785 HydrophobicContact CB-CE 4.08Å; S754-M785 WeakPolarHBondContact O-CA 3.39Å; S754-M785 WeakPolarHBondContact O-CE 3.22Å; I755-M785 HydrophobicContact CB-SD 4.27Å; I755-M785 HydrophobicContact CG1-CE 3.77Å; I755-M785 HydrophobicContact CG1-SD 3.67Å; V783-M785 HydrophobicContact CG1-SD 3.83Å; M785-F799 HydrophobicContact CE-CD1 4.23Å; M785-F799 HydrophobicContact CE-CE1 3.91Å
786	S	96.3	Very high	95.7	Very high	20 Å²	20	44.7 Å²	44.7	14%	0.14	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	158.1	178.5	26	0	0	0	0	111.6	L753 S754	L753-S786 WeakPolarHBondContact CA-O 3.32Å; S754-S786 PolarHBondContact N-O 3.33Å; S754-S786 PolarHBondContact O-N 2.91Å; S754-S786 PolarHBondContact OG-OG 3.39Å
787	I	97.9	Very high	95.7	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	109.6	171.6	-58.3	160.2	0	0	0	107	P389 Q392 L395 L402 G752 L753 E789	P389-I787 HydrophobicContact CB-CD1 4.1Å; P389-I787 VanDerWaalsContact O-CD1 3.27Å; P389-I787 WeakPolarHBondContact O-CD1 3.38Å; Q392-I787 HydrophobicContact CB-CB 4.09Å; Q392-I787 WeakPolarHBondContact CB-O 3.45Å; Q392-I787 PolarHBondContact OE1-O 3.4Å; L395-I787 HydrophobicContact CB-CD1 4.12Å; L395-I787 HydrophobicContact CD2-CD1 3.93Å; L395-I787 HydrophobicContact CD2-CG1 4.42Å; L402-I787 HydrophobicContact CD2-CD1 4.48Å; L402-I787 HydrophobicContact CD2-CG1 4.24Å; G752-I787 CarbonylContact O-C 3.5Å; G752-I787 WeakPolarHBondContact O-CA 3.04Å; L753-I787 HydrophobicContact CD2-CG1 3.81Å; I787-E789 VanDerWaalsContact CG2-O 3.24Å; I787-E789 WeakPolarHBondContact CG2-O 3.38Å
788	E	95.4	Very high	95.8	Very high	148 Å²	148	44.4 Å²	44.4	69%	0.692	23%	0.227	S	C	*	.	S	Bend	trans	-95.7	-30.3	-179.4	-76.4	174.3	-167.2	0	0	112.7	G752 S754	G752-E788 PolarHBondContact O-N 3.47Å; S754-E788 WeakPolarHBondContact CB-OE1 3.27Å; S754-E788 WeakPolarHBondContact OG-CG 3.33Å; S754-E788 PolarHBondContact OG-OE1 3.06Å
789	E	96.1	Very high	95.9	Very high	86 Å²	86	43.9 Å²	43.9	40%	0.402	22%	0.224	S	C	.	.	S	Bend	trans	-127.5	146	172.6	-47.8	169.8	127.6	0	0	108.6	K751 G752 I787	K751-E789 WeakPolarHBondContact CE-OE2 3.38Å; K751-E789 WeakPolarHBondContact CG-OE2 3.44Å; K751-E789 IonicContact NZ-OE1 3.78Å; K751-E789 PolarHBondContact NZ-OE1 3.01Å; K751-E789 IonicContact NZ-OE2 2.76Å; K751-E789 PolarHBondContact NZ-OE2 2.84Å; G752-E789 PolarHBondContact N-OE2 3.43Å; G752-E789 PolarHBondContact O-N 3.32Å; I787-E789 VanDerWaalsContact CG2-O 3.24Å; I787-E789 WeakPolarHBondContact CG2-O 3.38Å
790	N	95.9	Very high	96	Very high	94 Å²	94	43.7 Å²	43.7	50%	0.503	22%	0.222	S	C	.	.			trans	-61.4	147.8	175.9	-68.6	-3.7	0	0	0	111.8	T391 D792	T391-N790 HydrophobicContact CG2-CB 4.08Å; T391-N790 VanDerWaalsContact CG2-CG 3.47Å; T391-N790 WeakPolarHBondContact CG2-OD1 3.41Å; N790-D792 VanDerWaalsContact C-N 3.3Å; N790-D792 HydrophobicContact CB-CB 4.48Å; N790-D792 VanDerWaalsContact CB-CG 3.47Å; N790-D792 WeakPolarHBondContact CB-OD2 3.25Å; N790-D792 PolarHBondContact ND2-OD2 2.9Å; N790-D792 PolarHBondContact O-N 2.98Å
791	L	95.9	Very high	96	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.222	C	C	.	.			trans	-97	32.1	177.8	-54.3	174.7	0	0	0	111.2	I388 Q390 L753 D793 M794 V797 V823	I388-L791 HydrophobicContact CG2-CD1 3.85Å; Q390-L791 HydrophobicContact CG-CB 4.46Å; Q390-L791 PolarHBondContact O-N 3.07Å; L753-L791 HydrophobicContact CD2-CD1 4.49Å; L753-L791 HydrophobicContact CG-CD1 4.46Å; L791-D793 PolarHBondContact O-N 3.43Å; L791-M794 HydrophobicContact CB-CB 4.32Å; L791-M794 WeakPolarHBondContact O-CB 3.49Å; L791-M794 PolarHBondContact O-N 3.34Å; L791-V797 HydrophobicContact CD1-CG1 3.88Å; L791-V797 HydrophobicContact CD2-CG1 4.18Å; L791-V823 HydrophobicContact CB-CG1 3.92Å; L791-V823 HydrophobicContact CB-CG2 4.47Å; L791-V823 HydrophobicContact CD1-CG1 4.32Å; L791-V823 HydrophobicContact CD1-CG2 4.25Å
792	D	89.1	Confident	96	Very high	80 Å²	80	43.2 Å²	43.2	43%	0.428	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-41.9	-164.4	-66.4	-33.6	0	0	0	113.1	Q390 N790 M794	Q390-D792 WeakPolarHBondContact CG-OD1 3.22Å; Q390-D792 PolarHBondContact NE2-O 3.28Å; N790-D792 VanDerWaalsContact C-N 3.3Å; N790-D792 HydrophobicContact CB-CB 4.48Å; N790-D792 VanDerWaalsContact CB-CG 3.47Å; N790-D792 WeakPolarHBondContact CB-OD2 3.25Å; N790-D792 PolarHBondContact ND2-OD2 2.9Å; N790-D792 PolarHBondContact O-N 2.98Å; D792-M794 VanDerWaalsContact C-N 3.3Å; D792-M794 PolarHBondContact O-N 3.26Å
793	D	88	Confident	96	Very high	149 Å²	149	43.1 Å²	43.1	80%	0.797	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	0.4	177.5	-69.8	-44.6	0	0	0	114.5	L791	L791-D793 PolarHBondContact O-N 3.43Å
794	M	90.8	Very high	96.1	Very high	46 Å²	46	44.4 Å²	44.4	23%	0.227	23%	0.227	C	C	.	.			trans	-110.5	124.5	-166.1	-59.4	-58.8	147.8	0	0	112.5	Y451 L791 D792 V823	Y451-M794 HydrophobicContact CD2-CE 4Å; Y451-M794 HydrophobicContact CD2-SD 4.42Å; Y451-M794 HydrophobicContact CE1-SD 3.9Å; Y451-M794 HydrophobicContact CE2-CE 3.67Å; Y451-M794 HydrophobicContact CE2-SD 3.61Å; Y451-M794 PolarHBondContact OH-SD 3.25Å; L791-M794 HydrophobicContact CB-CB 4.32Å; L791-M794 WeakPolarHBondContact O-CB 3.49Å; L791-M794 PolarHBondContact O-N 3.34Å; D792-M794 VanDerWaalsContact C-N 3.3Å; D792-M794 PolarHBondContact O-N 3.26Å; M794-V823 HydrophobicContact CB-CG2 4.37Å; M794-V823 VanDerWaalsContact O-CB 3.26Å; M794-V823 WeakPolarHBondContact O-CB 3.47Å
795	Q	93.4	Very high	96.1	Very high	156 Å²	156	42.7 Å²	42.7	73%	0.729	22%	0.218	S	C	*	.	S	Bend	trans	-86.1	-28.8	174.3	-59.8	-61.7	-63.4	0	0	112.4	P822 V823	Q795-P822 WeakPolarHBondContact O-CA 3.44Å; Q795-V823 PolarHBondContact O-N 3.39Å
796	V	96.1	Very high	96.1	Very high	53 Å²	53	42.2 Å²	42.2	32%	0.321	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.1	178.1	-65.5	0	0	0	0	110.5	L367 L821	L367-V796 HydrophobicContact CD2-CG1 3.92Å; V796-L821 CarbonylContact C-O 3.57Å; V796-L821 VanDerWaalsContact CA-O 3.3Å; V796-L821 WeakPolarHBondContact CA-O 3.19Å
797	V	97.9	Very high	96.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	164.4	166.8	-68.3	0	0	0	0	110	I388 T750 L753 L791 F799 C820 L821 V823	I388-V797 HydrophobicContact CB-CG2 4.08Å; I388-V797 HydrophobicContact CG1-CG2 3.7Å; I388-V797 HydrophobicContact CG2-CG2 4.12Å; T750-V797 HydrophobicContact CG2-CB 4.37Å; T750-V797 HydrophobicContact CG2-CG1 3.9Å; L753-V797 HydrophobicContact CD1-CB 3.88Å; L753-V797 HydrophobicContact CD1-CG1 3.86Å; L753-V797 HydrophobicContact CD1-CG2 4.02Å; L791-V797 HydrophobicContact CD1-CG1 3.88Å; L791-V797 HydrophobicContact CD2-CG1 4.18Å; V797-F799 HydrophobicContact CG2-CE2 4.01Å; V797-F799 HydrophobicContact CG2-CZ 4.44Å; V797-C820 WeakPolarHBondContact O-CA 3.4Å; V797-C820 PolarHBondContact O-SG 3.32Å; V797-L821 HydrophobicContact CG2-CB 4.45Å; V797-L821 PolarHBondContact N-O 3.34Å; V797-L821 PolarHBondContact O-N 2.78Å; V797-V823 HydrophobicContact CG1-CG2 3.72Å; V797-V823 HydrophobicContact CG2-CG2 4.39Å
798	S	98.2	Very high	96.1	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	147.2	173	-52.1	0	0	0	0	112.4	N448 C749 T750 M819	N448-S798 VanDerWaalsContact ND2-CB 3.3Å; N448-S798 WeakPolarHBondContact ND2-CB 3.27Å; N448-S798 PolarHBondContact ND2-OG 2.74Å; N448-S798 VanDerWaalsContact ND2-OG 3.09Å; C749-S798 CarbonylContact C-O 3.56Å; C749-S798 WeakPolarHBondContact CA-O 3.25Å; T750-S798 PolarHBondContact N-O 3.45Å; T750-S798 VanDerWaalsContact N-O 3.1Å; T750-S798 PolarHBondContact OG1-N 2.89Å; S798-M819 CarbonylContact C-O 3.54Å; S798-M819 WeakPolarHBondContact CA-O 3.41Å; S798-M819 WeakPolarHBondContact CB-O 3.42Å
799	F	98.4	Very high	96.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.6	174.8	-56.8	-90.9	0	0	0	108.3	F381 I388 L404 R748 C749 L753 M785 V797 T818 M819 L821	F381-F799 HydrophobicContact CE1-CB 4.06Å; F381-F799 HydrophobicContact CZ-CB 3.73Å; I388-F799 HydrophobicContact CD1-CE2 4.16Å; I388-F799 HydrophobicContact CD1-CZ 4.17Å; L404-F799 HydrophobicContact CD1-CB 4.39Å; L404-F799 HydrophobicContact CD1-CD1 3.66Å; L404-F799 HydrophobicContact CD1-CE1 4.23Å; L404-F799 HydrophobicContact CD1-CG 4.19Å; L404-F799 HydrophobicContact CD2-CD1 3.93Å; L404-F799 HydrophobicContact CD2-CD2 4.22Å; L404-F799 HydrophobicContact CD2-CE1 4.15Å; L404-F799 HydrophobicContact CD2-CE2 4.45Å; L404-F799 HydrophobicContact CD2-CG 3.96Å; L404-F799 HydrophobicContact CD2-CZ 4.4Å; L404-F799 HydrophobicContact CG-CD1 4.34Å; R748-F799 CarbonylContact O-C 3.58Å; R748-F799 WeakPolarHBondContact O-CA 3.14Å; C749-F799 HydrophobicContact CB-CD1 3.73Å; C749-F799 HydrophobicContact CB-CE1 3.94Å; L753-F799 HydrophobicContact CD1-CE1 3.89Å; L753-F799 HydrophobicContact CD1-CE2 4.47Å; L753-F799 HydrophobicContact CD1-CZ 3.64Å; M785-F799 HydrophobicContact CE-CD1 4.23Å; M785-F799 HydrophobicContact CE-CE1 3.91Å; V797-F799 HydrophobicContact CG2-CE2 4.01Å; V797-F799 HydrophobicContact CG2-CZ 4.44Å; F799-T818 CarbonylContact O-C 3.54Å; F799-T818 WeakPolarHBondContact O-CA 3.35Å; F799-M819 HydrophobicContact CB-CE 4.43Å; F799-M819 HydrophobicContact CD2-CE 4.05Å; F799-M819 HydrophobicContact CG-CE 4.46Å; F799-M819 PolarHBondContact N-O 3.44Å; F799-M819 PolarHBondContact O-N 2.84Å; F799-L821 HydrophobicContact CD2-CD1 4.38Å; F799-L821 HydrophobicContact CE2-CD1 4Å
800	Q	98.6	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	110.5	179.5	-174.5	176.4	84.4	0	0	110.6	Y432 L449 I747 R748 V816 H817 T818	Y432-Q800 PolarHBondContact O-NE2 3Å; L449-Q800 HydrophobicContact CD2-CB 4.44Å; I747-Q800 WeakPolarHBondContact CA-O 3.38Å; R748-Q800 PolarHBondContact N-O 3.11Å; R748-Q800 PolarHBondContact O-N 3.16Å; Q800-V816 HydrophobicContact CG-CG1 3.66Å; Q800-H817 CarbonylContact C-O 3.39Å; Q800-H817 VanDerWaalsContact CA-O 3.29Å; Q800-H817 WeakPolarHBondContact CA-O 3.05Å; Q800-T818 HydrophobicContact CB-CG2 4.22Å; Q800-T818 PolarHBondContact NE2-OG1 3.46Å
801	A	98.4	Very high	96.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.1	167.6	0	0	0	0	0	109.4	F381 L406 I747 V816 H817	F381-A801 HydrophobicContact CE1-CB 4.25Å; F381-A801 HydrophobicContact CZ-CB 4.27Å; L406-A801 HydrophobicContact CD2-CB 3.62Å; I747-A801 HydrophobicContact CG1-CB 4.14Å; A801-V816 WeakPolarHBondContact O-CA 3.2Å; A801-H817 HydrophobicContact CB-CB 4.5Å; A801-H817 PolarHBondContact N-O 3.19Å; A801-H817 PolarHBondContact O-N 2.79Å
802	A	98.4	Very high	96.1	Very high	6 Å²	6	38 Å²	38	5%	0.05	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117.7	174.8	0	0	0	0	0	110.2	Y432 M745 R746 R815 V816	Y432-A802 HydrophobicContact CD2-CB 3.95Å; Y432-A802 HydrophobicContact CE2-CB 3.46Å; Y432-A802 VanDerWaalsContact CE2-CB 3.46Å; M745-A802 WeakPolarHBondContact CA-O 3.43Å; R746-A802 PolarHBondContact N-O 3.31Å; R746-A802 PolarHBondContact O-N 3.45Å; A802-R815 CarbonylContact C-O 3.47Å; A802-R815 WeakPolarHBondContact CA-O 3.49Å; A802-V816 HydrophobicContact CB-CG2 4.26Å
803	L	98.6	Very high	96.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	101.6	179.5	175.5	65.8	0	0	0	108.8	P408 F409 A743 M745 L772 V775 Y805 I814 R815	P408-L803 HydrophobicContact CB-CD2 4.46Å; F409-L803 HydrophobicContact CB-CD2 4.1Å; F409-L803 HydrophobicContact CD2-CD2 3.76Å; F409-L803 HydrophobicContact CG-CD2 4.25Å; A743-L803 HydrophobicContact CB-CD1 4.21Å; M745-L803 HydrophobicContact CB-CD1 4.11Å; L772-L803 HydrophobicContact CD1-CD1 3.9Å; V775-L803 HydrophobicContact CB-CD1 4.43Å; V775-L803 HydrophobicContact CG1-CD1 4.27Å; V775-L803 HydrophobicContact CG1-CD2 4.2Å; V775-L803 HydrophobicContact CG2-CD1 4.23Å; V775-L803 HydrophobicContact CG2-CD2 3.99Å; L803-Y805 HydrophobicContact CG-CD1 4.22Å; L803-I814 CarbonylContact O-C 3.2Å; L803-I814 WeakPolarHBondContact O-CA 3.46Å; L803-R815 HydrophobicContact CB-CB 4.48Å; L803-R815 PolarHBondContact N-O 3.5Å; L803-R815 PolarHBondContact O-N 2.7Å
804	L	98.4	Very high	97	Very high	26 Å²	26	29.5 Å²	29.5	14%	0.136	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	127	170.6	168.9	69.4	0	0	0	108.2	Y491 A743 V744 R812 R813 I814	Y491-L804 HydrophobicContact CD1-CD1 4.11Å; Y491-L804 HydrophobicContact CD1-CD2 4.24Å; Y491-L804 HydrophobicContact CG-CD1 4.36Å; A743-L804 CarbonylContact C-O 3.51Å; A743-L804 WeakPolarHBondContact CA-O 3.43Å; A743-L804 WeakPolarHBondContact CB-O 3.47Å; V744-L804 HydrophobicContact CG2-CB 3.99Å; V744-L804 HydrophobicContact CG2-CD2 4.01Å; V744-L804 HydrophobicContact CG2-CG 4.37Å; V744-L804 PolarHBondContact N-O 2.79Å; V744-L804 PolarHBondContact O-N 2.86Å; L804-R812 HydrophobicContact CD1-CG 3.81Å; L804-R813 WeakPolarHBondContact CA-O 3.38Å; L804-I814 HydrophobicContact CB-CG1 4.27Å; L804-I814 HydrophobicContact CD1-CD1 4.28Å; L804-I814 HydrophobicContact CD1-CG1 3.5Å; L804-I814 HydrophobicContact CG-CG1 4.48Å
805	Y	98.4	Very high	97.4	Very high	7 Å²	7	28 Å²	28	3%	0.027	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	166.4	-178.2	71.4	-80.3	0	0	0	112.3	F409 E484 A743 L803 R813 R815	F409-Y805 HydrophobicContact CE2-CD1 4.44Å; F409-Y805 HydrophobicContact CE2-CD2 4.35Å; F409-Y805 AromaticContact CE2-CE1 3.9Å; F409-Y805 HydrophobicContact CE2-CE1 3.9Å; F409-Y805 AromaticContact CE2-CE2 3.81Å; F409-Y805 HydrophobicContact CE2-CE2 3.81Å; F409-Y805 AromaticContact CE2-CZ 3.55Å; F409-Y805 HydrophobicContact CZ-CD2 4.44Å; F409-Y805 AromaticContact CZ-CE2 3.91Å; F409-Y805 HydrophobicContact CZ-CE2 3.91Å; E484-Y805 PolarHBondContact OE1-OH 3.28Å; E484-Y805 VanDerWaalsContact OE1-OH 3.11Å; E484-Y805 PolarHBondContact OE2-OH 3Å; E484-Y805 VanDerWaalsContact OE2-OH 3.06Å; A743-Y805 VanDerWaalsContact CB-CB 3.5Å; L803-Y805 HydrophobicContact CG-CD1 4.22Å; Y805-R813 HydrophobicContact CD1-CB 4.32Å; Y805-R813 HydrophobicContact CE1-CB 3.72Å; Y805-R813 HydrophobicContact CE2-CB 4.29Å; Y805-R813 PolarHBondContact N-O 3.32Å; Y805-R813 PolarHBondContact O-N 2.94Å; Y805-R813 WeakPolarHBondContact OH-CD 3.45Å; Y805-R815 HydrophobicContact CE1-CB 4.46Å
806	T	98.3	Very high	97.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.9	169.1	-68.4	0	0	0	0	109	P496 G740 F741 E742 E811 R812	P496-T806 HydrophobicContact CB-CG2 3.67Å; G740-T806 CarbonylContact C-O 3.55Å; G740-T806 WeakPolarHBondContact CA-O 3.37Å; F741-T806 PolarHBondContact N-O 3.38Å; F741-T806 PolarHBondContact O-N 2.69Å; E742-T806 WeakPolarHBondContact CG-OG1 3.41Å; E742-T806 WeakPolarHBondContact OE1-CB 3.5Å; E742-T806 PolarHBondContact OE1-OG1 2.88Å; T806-E811 CarbonylContact C-O 3.59Å; T806-E811 WeakPolarHBondContact CA-O 3.41Å; T806-R812 VanDerWaalsContact N-NH1 3.11Å; T806-R812 WeakPolarHBondContact OG1-CD 3.31Å; T806-R812 PolarHBondContact OG1-NH1 2.72Å
807	S	97.6	Very high	97.8	Very high	11 Å²	11	18.2 Å²	18.2	8%	0.077	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	158.4	177.3	81	0	0	0	0	110.9	K809 G810 E811	S807-K809 PolarHBondContact O-N 2.84Å; S807-K809 PolarHBondContact OG-N 3.31Å; S807-G810 PolarHBondContact O-N 3.38Å; S807-E811 PolarHBondContact N-O 3.32Å; S807-E811 PolarHBondContact OG-N 3.1Å; S807-E811 PolarHBondContact OG-OE2 2.82Å
808	S	96.4	Very high	97.8	Very high	21 Å²	21	18.3 Å²	18.3	15%	0.147	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-0.3	170.4	53.8	0	0	0	0	114.8	P532 G533 D534	P532-S808 VanDerWaalsContact O-CB 3.3Å; P532-S808 WeakPolarHBondContact O-CB 3.36Å; G533-S808 CarbonylContact C-O 3.48Å; G533-S808 WeakPolarHBondContact CA-O 3.2Å; D534-S808 PolarHBondContact N-O 3.44Å
809	K	96.2	Very high	97.8	Very high	132 Å²	132	18.6 Å²	18.6	57%	0.574	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.6	13.6	172.8	-59.2	-61.7	-172.6	177.3	0	113.1	G533 D534 S807 E811	G533-K809 WeakPolarHBondContact O-CD 3.47Å; G533-K809 WeakPolarHBondContact O-CE 3.24Å; G533-K809 PolarHBondContact O-NZ 2.81Å; D534-K809 HydrophobicContact CB-CD 4.26Å; S807-K809 PolarHBondContact O-N 2.84Å; S807-K809 PolarHBondContact OG-N 3.31Å; K809-E811 VanDerWaalsContact C-N 3.35Å; K809-E811 PolarHBondContact O-N 2.96Å
810	G	95.2	Very high	97.8	Very high	18 Å²	18	18.6 Å²	18.6	19%	0.186	9%	0.092	C	C	.	.	S	Bend	trans	76.5	14.1	177.4	0	0	0	0	0	115.4	P496 R536 S807	P496-G810 WeakPolarHBondContact CB-O 3.39Å; P496-G810 WeakPolarHBondContact CG-O 3.09Å; R536-G810 VanDerWaalsContact NH2-CA 3.27Å; S807-G810 PolarHBondContact O-N 3.38Å
811	E	95.6	Very high	97.8	Very high	62 Å²	62	18.7 Å²	18.7	29%	0.29	9%	0.092	S	C	.	.			trans	-93.6	134	176.3	-56.2	165	122.8	0	0	110.5	T806 S807 K809 R813	T806-E811 CarbonylContact C-O 3.59Å; T806-E811 WeakPolarHBondContact CA-O 3.41Å; S807-E811 PolarHBondContact N-O 3.32Å; S807-E811 PolarHBondContact OG-N 3.1Å; S807-E811 PolarHBondContact OG-OE2 2.82Å; K809-E811 VanDerWaalsContact C-N 3.35Å; K809-E811 PolarHBondContact O-N 2.96Å; E811-R813 HydrophobicContact CB-CG 4.2Å; E811-R813 IonicContact OE1-NH2 3.5Å; E811-R813 PolarHBondContact OE1-NH2 3.47Å; E811-R813 IonicContact OE2-CZ 2.69Å; E811-R813 IonicContact OE2-NE 3.52Å; E811-R813 PolarHBondContact OE2-NE 3.31Å; E811-R813 IonicContact OE2-NH2 3.51Å; E811-R813 PolarHBondContact OE2-NH2 3.05Å
812	R	97.2	Very high	97.7	Very high	25 Å²	25	19.2 Å²	19.2	9%	0.094	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	125.4	165	-158.4	72	172.6	149.1	0.3	108.5	A487 Y491 M492 E742 L804 T806	A487-R812 HydrophobicContact CB-CB 4.13Å; A487-R812 HydrophobicContact CB-CG 4.09Å; A487-R812 WeakPolarHBondContact CB-O 3.44Å; A487-R812 PolarHBondContact N-O 2.93Å; Y491-R812 PolarHBondContact O-NE 3.44Å; Y491-R812 VanDerWaalsContact O-NE 3.12Å; M492-R812 HydrophobicContact CE-CB 3.65Å; M492-R812 HydrophobicContact CG-CB 4.04Å; M492-R812 HydrophobicContact CG-CG 4.09Å; E742-R812 PolarHBondContact O-NH1 3.21Å; E742-R812 PolarHBondContact O-NH2 2.95Å; L804-R812 HydrophobicContact CD1-CG 3.81Å; T806-R812 VanDerWaalsContact N-NH1 3.11Å; T806-R812 WeakPolarHBondContact OG1-CD 3.31Å; T806-R812 PolarHBondContact OG1-NH1 2.72Å
813	R	97.6	Very high	97.7	Very high	51 Å²	51	19.8 Å²	19.8	19%	0.192	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.1	-178.3	-66.8	-171	179.9	-148.3	-3.5	111.6	E484 F485 L804 Y805 E811	E484-R813 HydrophobicContact CG-CB 4.36Å; E484-R813 VanDerWaalsContact OE1-CD 3.3Å; E484-R813 WeakPolarHBondContact OE1-CD 3.3Å; E484-R813 IonicContact OE1-CZ 2.72Å; E484-R813 IonicContact OE1-NE 3.35Å; E484-R813 IonicContact OE1-NH1 2.78Å; E484-R813 PolarHBondContact OE1-NH1 2.88Å; F485-R813 CarbonylContact O-C 3.46Å; F485-R813 WeakPolarHBondContact O-CA 3.29Å; L804-R813 WeakPolarHBondContact CA-O 3.38Å; Y805-R813 HydrophobicContact CD1-CB 4.32Å; Y805-R813 HydrophobicContact CE1-CB 3.72Å; Y805-R813 HydrophobicContact CE2-CB 4.29Å; Y805-R813 PolarHBondContact N-O 3.32Å; Y805-R813 PolarHBondContact O-N 2.94Å; Y805-R813 WeakPolarHBondContact OH-CD 3.45Å; E811-R813 HydrophobicContact CB-CG 4.2Å; E811-R813 IonicContact OE1-NH2 3.5Å; E811-R813 PolarHBondContact OE1-NH2 3.47Å; E811-R813 IonicContact OE2-CZ 2.69Å; E811-R813 IonicContact OE2-NE 3.52Å; E811-R813 PolarHBondContact OE2-NE 3.31Å; E811-R813 IonicContact OE2-NH2 3.51Å; E811-R813 PolarHBondContact OE2-NH2 3.05Å
814	I	98.3	Very high	97.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	107.9	175.5	-55.6	153.1	0	0	0	108.9	I423 Y432 E484 F485 A487 Y491 L803 L804 V816	I423-I814 HydrophobicContact CD1-CD1 3.8Å; Y432-I814 HydrophobicContact CE1-CD1 4.26Å; Y432-I814 HydrophobicContact CE1-CG2 4.24Å; Y432-I814 HydrophobicContact CE2-CG2 4.37Å; E484-I814 CarbonylContact C-O 3.56Å; E484-I814 WeakPolarHBondContact CA-O 3.35Å; F485-I814 HydrophobicContact CB-CB 4.31Å; F485-I814 HydrophobicContact CD2-CB 4.37Å; F485-I814 PolarHBondContact N-O 2.83Å; F485-I814 PolarHBondContact O-N 2.93Å; A487-I814 HydrophobicContact CB-CD1 3.75Å; A487-I814 HydrophobicContact CB-CG1 3.99Å; Y491-I814 HydrophobicContact CD1-CD1 3.66Å; Y491-I814 HydrophobicContact CD1-CG1 4.42Å; Y491-I814 HydrophobicContact CD2-CD1 4.17Å; Y491-I814 HydrophobicContact CE1-CD1 3.4Å; Y491-I814 VanDerWaalsContact CE1-CD1 3.4Å; Y491-I814 HydrophobicContact CE1-CG1 4.46Å; Y491-I814 HydrophobicContact CE2-CD1 3.97Å; Y491-I814 HydrophobicContact CG-CD1 4.02Å; L803-I814 CarbonylContact O-C 3.2Å; L803-I814 WeakPolarHBondContact O-CA 3.46Å; L804-I814 HydrophobicContact CB-CG1 4.27Å; L804-I814 HydrophobicContact CD1-CD1 4.28Å; L804-I814 HydrophobicContact CD1-CG1 3.5Å; L804-I814 HydrophobicContact CG-CG1 4.48Å; I814-V816 HydrophobicContact CG2-CG2 3.82Å
815	R	98.4	Very high	97.5	Very high	14 Å²	14	23.2 Å²	23.2	5%	0.053	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.6	169.3	-167.7	178.9	-69	-170.5	-1	109.7	P408 K410 I483 E484 A802 L803 Y805 H817	P408-R815 VanDerWaalsContact O-CD 3.23Å; P408-R815 WeakPolarHBondContact O-CD 3.36Å; P408-R815 PolarHBondContact O-NH1 2.86Å; K410-R815 PolarHBondContact O-NH1 3.02Å; K410-R815 VanDerWaalsContact O-NH1 3.11Å; I483-R815 WeakPolarHBondContact O-CA 3.43Å; E484-R815 HydrophobicContact CG-CB 4.31Å; E484-R815 IonicContact OE2-CZ 3.56Å; E484-R815 IonicContact OE2-NE 2.77Å; E484-R815 PolarHBondContact OE2-NE 3.07Å; E484-R815 IonicContact OE2-NH2 2.65Å; E484-R815 PolarHBondContact OE2-NH2 2.85Å; A802-R815 CarbonylContact C-O 3.47Å; A802-R815 WeakPolarHBondContact CA-O 3.49Å; L803-R815 HydrophobicContact CB-CB 4.48Å; L803-R815 PolarHBondContact N-O 3.5Å; L803-R815 PolarHBondContact O-N 2.7Å; Y805-R815 HydrophobicContact CE1-CB 4.46Å; R815-H817 VanDerWaalsContact CD-NE2 3.34Å; R815-H817 WeakPolarHBondContact CD-NE2 3.49Å
816	V	98.6	Very high	97.3	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.3	-179.3	-176.6	0	0	0	0	109.6	Y432 T482 I483 F485 Q800 A801 A802 I814	Y432-V816 HydrophobicContact CD1-CG2 4.45Å; Y432-V816 HydrophobicContact CD2-CG1 4.48Å; Y432-V816 HydrophobicContact CD2-CG2 3.96Å; Y432-V816 HydrophobicContact CE2-CG2 4.35Å; Y432-V816 HydrophobicContact CG-CG2 4.03Å; T482-V816 WeakPolarHBondContact CA-O 3.34Å; I483-V816 HydrophobicContact CG1-CB 4.03Å; I483-V816 PolarHBondContact N-O 3.39Å; I483-V816 VanDerWaalsContact N-O 3.08Å; I483-V816 PolarHBondContact O-N 3.47Å; F485-V816 HydrophobicContact CD2-CG2 4.13Å; F485-V816 HydrophobicContact CE2-CG2 3.88Å; Q800-V816 HydrophobicContact CG-CG1 3.66Å; A801-V816 WeakPolarHBondContact O-CA 3.2Å; A802-V816 HydrophobicContact CB-CG2 4.26Å; I814-V816 HydrophobicContact CG2-CG2 3.82Å
817	H	98.6	Very high	97.1	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.019	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.8	172.8	-53.2	-70.7	0	0	0	108.7	V380 F381 P408 A481 T482 Q800 A801 R815	V380-H817 VanDerWaalsContact CG1-CE1 3.49Å; V380-H817 WeakPolarHBondContact CG1-CE1 3.28Å; V380-H817 WeakPolarHBondContact CG1-ND1 3.39Å; F381-H817 HydrophobicContact CD1-CB 4.06Å; P408-H817 PolarHBondContact O-NE2 2.99Å; A481-H817 CarbonylContact O-C 3.48Å; A481-H817 WeakPolarHBondContact O-CA 3.31Å; T482-H817 WeakPolarHBondContact CG2-ND1 3.24Å; T482-H817 PolarHBondContact OG1-ND1 2.86Å; Q800-H817 CarbonylContact C-O 3.39Å; Q800-H817 VanDerWaalsContact CA-O 3.29Å; Q800-H817 WeakPolarHBondContact CA-O 3.05Å; A801-H817 HydrophobicContact CB-CB 4.5Å; A801-H817 PolarHBondContact N-O 3.19Å; A801-H817 PolarHBondContact O-N 2.79Å; R815-H817 VanDerWaalsContact CD-NE2 3.34Å; R815-H817 WeakPolarHBondContact CD-NE2 3.49Å
818	T	98.6	Very high	96.9	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.2	177.4	-45.4	0	0	0	0	110.4	N434 F436 A481 F799 Q800	N434-T818 HydrophobicContact CB-CG2 4Å; F436-T818 HydrophobicContact CD2-CG2 3.72Å; F436-T818 HydrophobicContact CE2-CG2 3.86Å; A481-T818 WeakPolarHBondContact CB-O 3.33Å; A481-T818 PolarHBondContact O-N 3.01Å; F799-T818 CarbonylContact O-C 3.54Å; F799-T818 WeakPolarHBondContact O-CA 3.35Å; Q800-T818 HydrophobicContact CB-CG2 4.22Å; Q800-T818 PolarHBondContact NE2-OG1 3.46Å
819	M	98.2	Very high	96.7	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.039	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.8	175	177	173.8	58.4	0	0	109.5	N375 C376 F381 C383 L404 S798 F799 L821	N375-M819 WeakPolarHBondContact OD1-CA 3.49Å; C376-M819 HydrophobicContact CB-CB 4.19Å; F381-M819 HydrophobicContact CD1-CB 3.72Å; F381-M819 HydrophobicContact CD1-CE 4.49Å; F381-M819 HydrophobicContact CD2-CE 4.03Å; F381-M819 HydrophobicContact CE1-CB 4.02Å; F381-M819 HydrophobicContact CE2-CE 4.12Å; F381-M819 HydrophobicContact CG-CB 4.29Å; F381-M819 HydrophobicContact CG-CE 4.24Å; F381-M819 HydrophobicContact CZ-CE 4.4Å; C383-M819 HydrophobicContact CB-CE 3.9Å; C383-M819 HydrophobicContact CB-SD 4.47Å; L404-M819 HydrophobicContact CD2-CE 3.66Å; S798-M819 CarbonylContact C-O 3.54Å; S798-M819 WeakPolarHBondContact CA-O 3.41Å; S798-M819 WeakPolarHBondContact CB-O 3.42Å; F799-M819 HydrophobicContact CB-CE 4.43Å; F799-M819 HydrophobicContact CD2-CE 4.05Å; F799-M819 HydrophobicContact CG-CE 4.46Å; F799-M819 PolarHBondContact N-O 3.44Å; F799-M819 PolarHBondContact O-N 2.84Å; M819-L821 HydrophobicContact CE-CD1 4.15Å; M819-L821 HydrophobicContact CG-CD2 4.29Å; M819-L821 HydrophobicContact CG-CG 4.17Å; M819-L821 HydrophobicContact SD-CD1 4.28Å; M819-L821 HydrophobicContact SD-CD2 4.34Å; M819-L821 HydrophobicContact SD-CG 4.4Å
820	C	98.1	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	142.3	173.4	-169.8	0	0	0	0	110	L367 N375 F436 V797	L367-C820 HydrophobicContact CD1-CB 4.47Å; N375-C820 PolarHBondContact ND2-O 2.75Å; N375-C820 PolarHBondContact OD1-N 2.63Å; F436-C820 HydrophobicContact CD1-CB 3.46Å; F436-C820 VanDerWaalsContact CD1-CB 3.46Å; F436-C820 HydrophobicContact CD2-CB 3.82Å; F436-C820 HydrophobicContact CE1-CB 3.46Å; F436-C820 VanDerWaalsContact CE1-CB 3.46Å; F436-C820 HydrophobicContact CE2-CB 3.82Å; F436-C820 HydrophobicContact CG-CB 3.66Å; F436-C820 HydrophobicContact CZ-CB 3.65Å; V797-C820 WeakPolarHBondContact O-CA 3.4Å; V797-C820 PolarHBondContact O-SG 3.32Å
821	L	98.3	Very high	96.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.1	-178.8	-63.8	177.2	0	0	0	111	P365 C383 I388 V796 V797 F799 M819	P365-L821 HydrophobicContact CB-CD2 3.59Å; P365-L821 HydrophobicContact CG-CD2 3.45Å; P365-L821 VanDerWaalsContact CG-CD2 3.45Å; C383-L821 HydrophobicContact CB-CD1 3.51Å; I388-L821 HydrophobicContact CD1-CD1 3.91Å; I388-L821 HydrophobicContact CG1-CB 3.88Å; I388-L821 HydrophobicContact CG1-CD1 4.06Å; V796-L821 CarbonylContact C-O 3.57Å; V796-L821 VanDerWaalsContact CA-O 3.3Å; V796-L821 WeakPolarHBondContact CA-O 3.19Å; V797-L821 HydrophobicContact CG2-CB 4.45Å; V797-L821 PolarHBondContact N-O 3.34Å; V797-L821 PolarHBondContact O-N 2.78Å; F799-L821 HydrophobicContact CD2-CD1 4.38Å; F799-L821 HydrophobicContact CE2-CD1 4Å; M819-L821 HydrophobicContact CE-CD1 4.15Å; M819-L821 HydrophobicContact CG-CD2 4.29Å; M819-L821 HydrophobicContact CG-CG 4.17Å; M819-L821 HydrophobicContact SD-CD1 4.28Å; M819-L821 HydrophobicContact SD-CD2 4.34Å; M819-L821 HydrophobicContact SD-CG 4.4Å
822	P	97.7	Very high	96.8	Very high	12 Å²	12	20.8 Å²	20.8	8%	0.078	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	154	173	30.2	-38.6	0	0	0	112.8	C366 T386 I388 Q795	C366-P822 HydrophobicContact CB-CG 4.2Å; C366-P822 WeakPolarHBondContact O-CB 3.28Å; C366-P822 WeakPolarHBondContact O-CG 3.41Å; T386-P822 VanDerWaalsContact O-CD 3.26Å; T386-P822 WeakPolarHBondContact O-CD 3.36Å; T386-P822 WeakPolarHBondContact O-CG 3.4Å; I388-P822 WeakPolarHBondContact CB-O 3.29Å; I388-P822 PolarHBondContact N-O 2.94Å; Q795-P822 WeakPolarHBondContact O-CA 3.44Å
823	V	98.1	Very high	96.7	Very high	18 Å²	18	19.7 Å²	19.7	11%	0.109	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.5	170.5	-179.5	0	0	0	0	109.3	I388 Q390 L791 M794 Q795 V797	I388-V823 CarbonylContact O-C 3.5Å; I388-V823 WeakPolarHBondContact O-CA 3.43Å; Q390-V823 HydrophobicContact CB-CG1 3.88Å; Q390-V823 HydrophobicContact CG-CG1 4.12Å; L791-V823 HydrophobicContact CB-CG1 3.92Å; L791-V823 HydrophobicContact CB-CG2 4.47Å; L791-V823 HydrophobicContact CD1-CG1 4.32Å; L791-V823 HydrophobicContact CD1-CG2 4.25Å; M794-V823 HydrophobicContact CB-CG2 4.37Å; M794-V823 VanDerWaalsContact O-CB 3.26Å; M794-V823 WeakPolarHBondContact O-CB 3.47Å; Q795-V823 PolarHBondContact O-N 3.39Å; V797-V823 HydrophobicContact CG1-CG2 3.72Å; V797-V823 HydrophobicContact CG2-CG2 4.39Å
824	V	97	Very high	96.7	Very high	23 Å²	23	17.4 Å²	17.4	14%	0.139	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144.2	-177.4	-57.7	0	0	0	0	112.3	I388 Q390 D829 V830	I388-V824 PolarHBondContact O-N 3.38Å; Q390-V824 WeakPolarHBondContact CB-O 3.48Å; Q390-V824 PolarHBondContact N-O 2.97Å; V824-D829 HydrophobicContact CB-CB 3.76Å; V824-D829 HydrophobicContact CG1-CB 3.81Å; V824-D829 HydrophobicContact CG2-CB 3.9Å; V824-V830 HydrophobicContact CG2-CG2 3.55Å
825	S	95.3	Very high	96.7	Very high	76 Å²	76	17.6 Å²	17.6	53%	0.531	11%	0.111	S	C	.	.			trans	-100.2	-25.3	179.6	61.3	0	0	0	0	113.5
826	S	93.8	Very high	96.7	Very high	43 Å²	43	17.4 Å²	17.4	30%	0.301	11%	0.112	S	C	.	.	S	Bend	trans	-84.6	144.7	179.5	110.5	0	0	0	0	111.9	S828 D829 V830	S826-S828 VanDerWaalsContact C-N 3.32Å; S826-S828 PolarHBondContact OG-N 2.74Å; S826-D829 VanDerWaalsContact CB-OD2 3.24Å; S826-D829 WeakPolarHBondContact CB-OD2 3.35Å; S826-D829 PolarHBondContact O-N 3.07Å; S826-D829 PolarHBondContact OG-N 3.43Å; S826-D829 PolarHBondContact OG-OD2 3.01Å; S826-V830 PolarHBondContact O-N 2.91Å
827	L	94	Very high	96.6	Very high	21 Å²	21	18.4 Å²	18.4	11%	0.11	12%	0.117	C	C	.	.	H	α-helix	trans	-69.6	-33	179.1	-155	75.2	0	0	0	112.3	V394 K397 A398 D829 V830 F831	V394-L827 HydrophobicContact CG1-CD1 4.11Å; K397-L827 HydrophobicContact CB-CD1 4.06Å; A398-L827 HydrophobicContact CB-CD1 3.8Å; L827-D829 VanDerWaalsContact C-N 3.31Å; L827-D829 PolarHBondContact O-N 2.85Å; L827-V830 PolarHBondContact O-N 2.86Å; L827-F831 HydrophobicContact CD2-CD2 4.49Å; L827-F831 HydrophobicContact CD2-CE2 3.79Å; L827-F831 HydrophobicContact CG-CD2 4.16Å; L827-F831 HydrophobicContact CG-CE2 3.84Å; L827-F831 VanDerWaalsContact O-CD2 3.25Å; L827-F831 WeakPolarHBondContact O-CD2 3.2Å; L827-F831 PolarHBondContact O-N 3.08Å
828	S	93.3	Very high	96.6	Very high	37 Å²	37	18.2 Å²	18.2	26%	0.259	12%	0.116	S	C	.	.	H	α-helix	trans	-60.9	-40.3	176.3	-58.8	0	0	0	0	111.4	L343 S826 F831 A832	L343-S828 WeakPolarHBondContact CD2-O 3.48Å; S826-S828 VanDerWaalsContact C-N 3.32Å; S826-S828 PolarHBondContact OG-N 2.74Å; S828-F831 PolarHBondContact O-N 3.41Å; S828-A832 WeakPolarHBondContact O-CB 3.35Å; S828-A832 PolarHBondContact O-N 3.08Å
829	D	93.9	Very high	96.6	Very high	73 Å²	73	18.1 Å²	18.1	39%	0.39	12%	0.115	S	C	.	.	H	α-helix	trans	-72.3	-31.9	179.5	-56.9	-51	0	0	0	112.4	S387 V824 S826 L827 A832 G833	S387-D829 WeakPolarHBondContact CB-O 3.37Å; S387-D829 PolarHBondContact OG-O 3.17Å; V824-D829 HydrophobicContact CB-CB 3.76Å; V824-D829 HydrophobicContact CG1-CB 3.81Å; V824-D829 HydrophobicContact CG2-CB 3.9Å; S826-D829 VanDerWaalsContact CB-OD2 3.24Å; S826-D829 WeakPolarHBondContact CB-OD2 3.35Å; S826-D829 PolarHBondContact O-N 3.07Å; S826-D829 PolarHBondContact OG-N 3.43Å; S826-D829 PolarHBondContact OG-OD2 3.01Å; L827-D829 VanDerWaalsContact C-N 3.31Å; L827-D829 PolarHBondContact O-N 2.85Å; D829-A832 PolarHBondContact O-N 3.47Å; D829-G833 PolarHBondContact O-N 3.35Å; D829-G833 VanDerWaalsContact O-N 3.07Å
830	V	96.5	Very high	96.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.1	-45.2	170.8	178.1	0	0	0	0	110.5	L385 P389 V394 A398 V824 S826 L827 G833 A834	L385-V830 HydrophobicContact CD1-CG1 4.06Å; L385-V830 HydrophobicContact CD2-CG1 4.06Å; P389-V830 HydrophobicContact CB-CG2 4.24Å; P389-V830 HydrophobicContact CG-CG1 4.02Å; P389-V830 HydrophobicContact CG-CG2 3.86Å; V394-V830 HydrophobicContact CG1-CG2 4.05Å; A398-V830 HydrophobicContact CB-CG1 3.88Å; V824-V830 HydrophobicContact CG2-CG2 3.55Å; S826-V830 PolarHBondContact O-N 2.91Å; L827-V830 PolarHBondContact O-N 2.86Å; V830-G833 PolarHBondContact O-N 2.98Å; V830-A834 PolarHBondContact O-N 3.16Å
831	F	96	Very high	96.7	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.1	-39.9	173.7	-77.8	-62.7	0	0	0	112	L343 L400 L827 S828 G833 A834 Y874 A878 P889 C891 L892	L343-F831 HydrophobicContact CD2-CB 3.82Å; L400-F831 HydrophobicContact CD1-CD1 3.91Å; L400-F831 HydrophobicContact CD1-CE1 3.94Å; L400-F831 HydrophobicContact CG-CE1 4.24Å; L827-F831 HydrophobicContact CD2-CD2 4.49Å; L827-F831 HydrophobicContact CD2-CE2 3.79Å; L827-F831 HydrophobicContact CG-CD2 4.16Å; L827-F831 HydrophobicContact CG-CE2 3.84Å; L827-F831 VanDerWaalsContact O-CD2 3.25Å; L827-F831 WeakPolarHBondContact O-CD2 3.2Å; L827-F831 PolarHBondContact O-N 3.08Å; S828-F831 PolarHBondContact O-N 3.41Å; F831-G833 PolarHBondContact O-N 3.14Å; F831-A834 VanDerWaalsContact O-CB 3.25Å; F831-A834 WeakPolarHBondContact O-CB 3.23Å; F831-A834 PolarHBondContact O-N 2.81Å; F831-Y874 AromaticContact CD2-CD2 3.95Å; F831-Y874 HydrophobicContact CD2-CD2 3.95Å; F831-Y874 HydrophobicContact CE2-CD2 4.23Å; F831-Y874 HydrophobicContact CG-CD2 4.16Å; F831-A878 HydrophobicContact CD2-CB 4.14Å; F831-A878 HydrophobicContact CE2-CB 4.42Å; F831-P889 HydrophobicContact CD1-CG 4.48Å; F831-C891 PolarHBondContact O-SG 3.36Å; F831-L892 HydrophobicContact CD1-CD1 3.79Å; F831-L892 HydrophobicContact CE1-CD1 3.9Å
832	A	94.6	Very high	96.7	Very high	27 Å²	27	17.9 Å²	17.9	22%	0.223	12%	0.115	C	C	.	.	H	α-helix	trans	-60.3	-33.8	177.5	0	0	0	0	0	112.6	L343 S828 D829	L343-A832 HydrophobicContact CD1-CB 4.05Å; L343-A832 HydrophobicContact CD2-CB 4.16Å; L343-A832 HydrophobicContact CG-CB 3.87Å; S828-A832 WeakPolarHBondContact O-CB 3.35Å; S828-A832 PolarHBondContact O-N 3.08Å; D829-A832 PolarHBondContact O-N 3.47Å
833	G	95.8	Very high	96.7	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.021	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	7.5	175.4	0	0	0	0	0	115.6	T386 D829 V830 F831 D835	T386-G833 PolarHBondContact N-O 3.42Å; T386-G833 VanDerWaalsContact OG1-CA 3.26Å; T386-G833 WeakPolarHBondContact OG1-CA 3.46Å; T386-G833 PolarHBondContact OG1-O 3.5Å; T386-G833 VanDerWaalsContact OG1-O 3.09Å; D829-G833 PolarHBondContact O-N 3.35Å; D829-G833 VanDerWaalsContact O-N 3.07Å; V830-G833 PolarHBondContact O-N 2.98Å; F831-G833 PolarHBondContact O-N 3.14Å; G833-D835 PolarHBondContact O-N 2.8Å
834	A	97.7	Very high	96.8	Very high	2 Å²	2	17.3 Å²	17.3	2%	0.017	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-74.1	120.3	-174.5	0	0	0	0	0	113	L385 L400 V830 F831 V836 I839 L892	L385-A834 HydrophobicContact CD2-CB 4.33Å; L400-A834 HydrophobicContact CD1-CB 3.8Å; V830-A834 PolarHBondContact O-N 3.16Å; F831-A834 VanDerWaalsContact O-CB 3.25Å; F831-A834 WeakPolarHBondContact O-CB 3.23Å; F831-A834 PolarHBondContact O-N 2.81Å; A834-V836 PolarHBondContact O-N 2.82Å; A834-I839 HydrophobicContact CB-CD1 4.02Å; A834-L892 HydrophobicContact CB-CD2 3.98Å; A834-L892 HydrophobicContact CB-CG 4.38Å
835	D	98.2	Very high	96.8	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.021	11%	0.106	C	C	.	.			trans	-92.6	94	174.4	-177	-21.3	0	0	0	110.4	P363 R382 T384 G833 Q837 A838 I839	P363-D835 WeakPolarHBondContact CD-OD2 3.22Å; P363-D835 HydrophobicContact CG-CB 3.83Å; R382-D835 IonicContact CZ-OD1 2.61Å; R382-D835 IonicContact CZ-OD2 2.83Å; R382-D835 IonicContact NE-OD2 2.81Å; R382-D835 PolarHBondContact NE-OD2 3.01Å; R382-D835 IonicContact NH2-OD1 3.24Å; R382-D835 PolarHBondContact NH2-OD1 3.44Å; R382-D835 IonicContact NH2-OD2 3.98Å; R382-D835 PolarHBondContact NH2-OD2 3.32Å; T384-D835 PolarHBondContact O-N 3.3Å; G833-D835 PolarHBondContact O-N 2.8Å; D835-Q837 PolarHBondContact O-N 3.42Å; D835-Q837 PolarHBondContact OD1-N 3.5Å; D835-Q837 VanDerWaalsContact OD1-N 3.16Å; D835-A838 HydrophobicContact CB-CB 3.8Å; D835-A838 PolarHBondContact O-N 3.19Å; D835-A838 VanDerWaalsContact O-N 3.14Å; D835-A838 PolarHBondContact OD1-N 2.85Å; D835-I839 WeakPolarHBondContact O-CB 3.36Å; D835-I839 WeakPolarHBondContact O-CD1 3.31Å; D835-I839 VanDerWaalsContact O-CG1 3.23Å; D835-I839 WeakPolarHBondContact O-CG1 3.46Å; D835-I839 PolarHBondContact O-N 3Å
836	V	97.9	Very high	97	Very high	10 Å²	10	15.6 Å²	15.6	6%	0.061	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-30.6	-176.2	65.7	0	0	0	0	114.2	A834 T840 C891 L892 F895 Y898	A834-V836 PolarHBondContact O-N 2.82Å; V836-T840 WeakPolarHBondContact O-CB 3.46Å; V836-T840 PolarHBondContact O-N 2.89Å; V836-T840 VanDerWaalsContact O-N 3.12Å; V836-T840 PolarHBondContact O-OG1 3.12Å; V836-C891 WeakPolarHBondContact CB-O 3.33Å; V836-C891 WeakPolarHBondContact CG1-O 3.16Å; V836-L892 HydrophobicContact CB-CD2 4.27Å; V836-L892 HydrophobicContact CG2-CD2 4.38Å; V836-F895 HydrophobicContact CG2-CB 3.66Å; V836-F895 HydrophobicContact CG2-CD2 4.16Å; V836-F895 HydrophobicContact CG2-CG 4.29Å; V836-Y898 HydrophobicContact CG1-CE2 4.35Å; V836-Y898 HydrophobicContact CG2-CD2 4.03Å; V836-Y898 HydrophobicContact CG2-CE2 4.35Å
837	Q	98.1	Very high	97.2	Very high	23 Å²	23	13.8 Å²	13.8	11%	0.107	8%	0.082	C	C	.	.	H	α-helix	trans	-73.6	-48.5	174.9	-69.8	-179	-29.4	0	0	110.7	D835 I839 T840 G841 Y898 L931 M935	D835-Q837 PolarHBondContact O-N 3.42Å; D835-Q837 PolarHBondContact OD1-N 3.5Å; D835-Q837 VanDerWaalsContact OD1-N 3.16Å; Q837-I839 VanDerWaalsContact C-N 3.34Å; Q837-I839 PolarHBondContact O-N 3.3Å; Q837-T840 WeakPolarHBondContact O-CB 3.32Å; Q837-T840 PolarHBondContact O-N 3.37Å; Q837-T840 VanDerWaalsContact O-N 3.16Å; Q837-G841 PolarHBondContact O-N 3.21Å; Q837-Y898 HydrophobicContact CG-CE2 4.21Å; Q837-L931 HydrophobicContact CB-CD1 4.42Å; Q837-L931 HydrophobicContact CB-CD2 4.18Å; Q837-L931 WeakPolarHBondContact O-CD1 3.41Å; Q837-M935 HydrophobicContact CB-CG 4.1Å; Q837-M935 HydrophobicContact CB-SD 4.11Å; Q837-M935 HydrophobicContact CG-CE 4.38Å; Q837-M935 HydrophobicContact CG-CG 4.15Å; Q837-M935 HydrophobicContact CG-SD 4.29Å
838	A	98.5	Very high	97.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.5	-43.4	178.3	0	0	0	0	0	111.7	T384 L405 D835 T840 G841 L842 L931	T384-A838 HydrophobicContact CG2-CB 4.14Å; L405-A838 HydrophobicContact CD1-CB 3.8Å; D835-A838 HydrophobicContact CB-CB 3.8Å; D835-A838 PolarHBondContact O-N 3.19Å; D835-A838 VanDerWaalsContact O-N 3.14Å; D835-A838 PolarHBondContact OD1-N 2.85Å; A838-T840 VanDerWaalsContact C-N 3.33Å; A838-T840 PolarHBondContact O-N 3.47Å; A838-G841 PolarHBondContact O-N 2.93Å; A838-L842 WeakPolarHBondContact O-CB 3.47Å; A838-L842 PolarHBondContact O-N 3.05Å; A838-L931 HydrophobicContact CB-CD2 4.21Å
839	I	98.8	Very high	97.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.8	-47.6	173.5	-69.7	162.3	0	0	0	110.3	T384 L400 P401 A834 D835 Q837 L842 L843 L892 F895	T384-I839 HydrophobicContact CG2-CG1 4.21Å; L400-I839 HydrophobicContact CD1-CD1 4.22Å; L400-I839 HydrophobicContact CD2-CD1 4.26Å; P401-I839 HydrophobicContact CG-CG2 4.16Å; A834-I839 HydrophobicContact CB-CD1 4.02Å; D835-I839 WeakPolarHBondContact O-CB 3.36Å; D835-I839 WeakPolarHBondContact O-CD1 3.31Å; D835-I839 VanDerWaalsContact O-CG1 3.23Å; D835-I839 WeakPolarHBondContact O-CG1 3.46Å; D835-I839 PolarHBondContact O-N 3Å; Q837-I839 VanDerWaalsContact C-N 3.34Å; Q837-I839 PolarHBondContact O-N 3.3Å; I839-L842 PolarHBondContact O-N 3.33Å; I839-L843 HydrophobicContact CG2-CD1 3.82Å; I839-L843 HydrophobicContact CG2-CG 4.49Å; I839-L843 WeakPolarHBondContact O-CB 3.19Å; I839-L843 VanDerWaalsContact O-CG 3.31Å; I839-L843 WeakPolarHBondContact O-CG 3.26Å; I839-L843 PolarHBondContact O-N 2.88Å; I839-L892 HydrophobicContact CD1-CD2 4.2Å; I839-F895 HydrophobicContact CG2-CD2 4.35Å; I839-F895 HydrophobicContact CG2-CE2 3.66Å; I839-F895 HydrophobicContact CG2-CZ 3.91Å
840	T	98.6	Very high	97.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.5	-46.1	178	-60.4	0	0	0	0	111.9	V836 Q837 A838 L843 A844 Y898 L902 M935 I938	V836-T840 WeakPolarHBondContact O-CB 3.46Å; V836-T840 PolarHBondContact O-N 2.89Å; V836-T840 VanDerWaalsContact O-N 3.12Å; V836-T840 PolarHBondContact O-OG1 3.12Å; Q837-T840 WeakPolarHBondContact O-CB 3.32Å; Q837-T840 PolarHBondContact O-N 3.37Å; Q837-T840 VanDerWaalsContact O-N 3.16Å; A838-T840 VanDerWaalsContact C-N 3.33Å; A838-T840 PolarHBondContact O-N 3.47Å; T840-L843 PolarHBondContact O-N 2.68Å; T840-A844 WeakPolarHBondContact O-CB 3.27Å; T840-A844 PolarHBondContact O-N 3.16Å; T840-Y898 HydrophobicContact CG2-CD2 4.46Å; T840-Y898 HydrophobicContact CG2-CG 4.41Å; T840-L902 HydrophobicContact CG2-CD1 3.75Å; T840-L902 HydrophobicContact CG2-CG 4.35Å; T840-M935 HydrophobicContact CG2-CE 4.33Å; T840-M935 HydrophobicContact CG2-SD 4.03Å; T840-I938 HydrophobicContact CG2-CD1 4.16Å; T840-I938 HydrophobicContact CG2-CG2 4.29Å
841	G	98.3	Very high	97.6	Very high	5 Å²	5	15 Å²	15	5%	0.052	8%	0.078	C	C	.	.	H	α-helix	trans	-64.6	-38.8	179.2	0	0	0	0	0	113.5	Q837 A838 A844 C845	Q837-G841 PolarHBondContact O-N 3.21Å; A838-G841 PolarHBondContact O-N 2.93Å; G841-A844 PolarHBondContact O-N 3.45Å; G841-C845 PolarHBondContact O-N 2.69Å; G841-C845 VanDerWaalsContact O-N 3.11Å
842	L	98.7	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.2	-44.1	174.5	-176.9	62.4	0	0	0	111.6	T384 P401 L405 A782 A838 I839 A844 C845 M846	T384-L842 HydrophobicContact CG2-CB 4.1Å; T384-L842 HydrophobicContact CG2-CD2 3.68Å; P401-L842 HydrophobicContact CB-CD2 3.99Å; P401-L842 HydrophobicContact CG-CD2 4.29Å; L405-L842 HydrophobicContact CD1-CB 4.49Å; A782-L842 HydrophobicContact CB-CD1 4.26Å; A838-L842 WeakPolarHBondContact O-CB 3.47Å; A838-L842 PolarHBondContact O-N 3.05Å; I839-L842 PolarHBondContact O-N 3.33Å; L842-A844 VanDerWaalsContact C-N 3.31Å; L842-A844 PolarHBondContact O-N 2.84Å; L842-C845 WeakPolarHBondContact O-CB 3.35Å; L842-C845 PolarHBondContact O-N 2.77Å; L842-C845 VanDerWaalsContact O-N 3.16Å; L842-M846 HydrophobicContact CG-SD 4.03Å; L842-M846 VanDerWaalsContact O-CG 3.32Å; L842-M846 WeakPolarHBondContact O-CG 3.44Å; L842-M846 PolarHBondContact O-N 2.8Å
843	L	98.6	Very high	97.4	Very high	16 Å²	16	21.4 Å²	21.4	8%	0.084	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-37.6	175.6	-73.4	171.3	0	0	0	112.1	P401 I839 T840 M846 A847 A866 F895 I899	P401-L843 HydrophobicContact CG-CD2 4.1Å; P401-L843 HydrophobicContact CG-CG 4.09Å; I839-L843 HydrophobicContact CG2-CD1 3.82Å; I839-L843 HydrophobicContact CG2-CG 4.49Å; I839-L843 WeakPolarHBondContact O-CB 3.19Å; I839-L843 VanDerWaalsContact O-CG 3.31Å; I839-L843 WeakPolarHBondContact O-CG 3.26Å; I839-L843 PolarHBondContact O-N 2.88Å; T840-L843 PolarHBondContact O-N 2.68Å; L843-M846 HydrophobicContact CD2-SD 4.36Å; L843-M846 PolarHBondContact O-N 3.37Å; L843-A847 VanDerWaalsContact O-CB 3.22Å; L843-A847 WeakPolarHBondContact O-CB 3.49Å; L843-A847 PolarHBondContact O-N 3.08Å; L843-A866 HydrophobicContact CD1-CB 4.01Å; L843-A866 HydrophobicContact CD2-CB 4.23Å; L843-F895 HydrophobicContact CD1-CE2 3.72Å; L843-F895 HydrophobicContact CD1-CZ 3.61Å; L843-I899 HydrophobicContact CD1-CD1 4.12Å
844	A	98.6	Very high	97.3	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-46.3	172.2	0	0	0	0	0	111.6	T840 G841 L842 M846 A847 V848 L902 L926 I938	T840-A844 WeakPolarHBondContact O-CB 3.27Å; T840-A844 PolarHBondContact O-N 3.16Å; G841-A844 PolarHBondContact O-N 3.45Å; L842-A844 VanDerWaalsContact C-N 3.31Å; L842-A844 PolarHBondContact O-N 2.84Å; A844-M846 PolarHBondContact O-N 2.89Å; A844-A847 PolarHBondContact O-N 2.96Å; A844-V848 WeakPolarHBondContact O-CG2 3.39Å; A844-V848 PolarHBondContact O-N 2.85Å; A844-L902 HydrophobicContact CB-CD1 4.35Å; A844-L902 HydrophobicContact CB-CD2 3.71Å; A844-L926 HydrophobicContact CB-CD2 4.27Å; A844-I938 HydrophobicContact CB-CD1 4.39Å
845	C	98.4	Very high	97.1	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.041	15%	0.145	C	C	.	.	H	α-helix	trans	-59	-44	174.7	-80.7	0	0	0	0	113	H759 G841 L842 D849 L926 K927	H759-C845 HydrophobicContact CB-CB 3.77Å; G841-C845 PolarHBondContact O-N 2.69Å; G841-C845 VanDerWaalsContact O-N 3.11Å; L842-C845 WeakPolarHBondContact O-CB 3.35Å; L842-C845 PolarHBondContact O-N 2.77Å; L842-C845 VanDerWaalsContact O-N 3.16Å; C845-D849 PolarHBondContact O-N 2.86Å; C845-L926 PolarHBondContact SG-O 2.91Å; C845-L926 VanDerWaalsContact SG-O 3.34Å; C845-K927 HydrophobicContact CB-CD 4.3Å
846	M	98.3	Very high	96.8	Very high	57 Å²	57	25.8 Å²	25.8	28%	0.281	14%	0.144	S	C	.	.	H	α-helix	trans	-67.3	-39.5	177.9	-67	169.5	70.8	0	0	111.9	P401 L842 L843 A844 D849 R850	P401-M846 HydrophobicContact CB-SD 4.48Å; L842-M846 HydrophobicContact CG-SD 4.03Å; L842-M846 VanDerWaalsContact O-CG 3.32Å; L842-M846 WeakPolarHBondContact O-CG 3.44Å; L842-M846 PolarHBondContact O-N 2.8Å; L843-M846 HydrophobicContact CD2-SD 4.36Å; L843-M846 PolarHBondContact O-N 3.37Å; A844-M846 PolarHBondContact O-N 2.89Å; M846-D849 PolarHBondContact O-N 2.79Å; M846-R850 WeakPolarHBondContact O-CB 3.41Å; M846-R850 PolarHBondContact O-N 3.14Å
847	A	98.3	Very high	96.6	Very high	5 Å²	5	27.9 Å²	27.9	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-35.9	177.6	0	0	0	0	0	112.4	L843 A844 R850 S851 A859 M863 F908	L843-A847 VanDerWaalsContact O-CB 3.22Å; L843-A847 WeakPolarHBondContact O-CB 3.49Å; L843-A847 PolarHBondContact O-N 3.08Å; A844-A847 PolarHBondContact O-N 2.96Å; A847-R850 PolarHBondContact O-N 2.93Å; A847-S851 WeakPolarHBondContact O-CB 3.22Å; A847-S851 PolarHBondContact O-N 3.27Å; A847-S851 PolarHBondContact O-OG 2.99Å; A847-A859 HydrophobicContact CB-CB 4.27Å; A847-A859 WeakPolarHBondContact O-CB 3.29Å; A847-M863 HydrophobicContact CB-CE 3.91Å; A847-M863 HydrophobicContact CB-CG 3.89Å; A847-M863 HydrophobicContact CB-SD 3.53Å; A847-M863 VanDerWaalsContact CB-SD 3.53Å; A847-F908 HydrophobicContact CB-CD1 4.49Å; A847-F908 HydrophobicContact CB-CE1 3.71Å; A847-F908 HydrophobicContact CB-CE2 4.21Å; A847-F908 HydrophobicContact CB-CZ 3.52Å
848	V	98	Very high	96.5	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-51	170.7	169.2	0	0	0	0	110.6	A844 R850 S851 V852 F908 M923 L926 K927	A844-V848 WeakPolarHBondContact O-CG2 3.39Å; A844-V848 PolarHBondContact O-N 2.85Å; V848-R850 VanDerWaalsContact C-N 3.34Å; V848-R850 PolarHBondContact O-N 3.07Å; V848-S851 PolarHBondContact O-N 3.37Å; V848-V852 PolarHBondContact O-N 3.16Å; V848-F908 HydrophobicContact CG2-CE1 4.19Å; V848-F908 HydrophobicContact CG2-CZ 3.71Å; V848-M923 HydrophobicContact CG1-CB 3.81Å; V848-M923 HydrophobicContact CG1-CG 4.22Å; V848-M923 HydrophobicContact CG2-CB 3.95Å; V848-M923 HydrophobicContact CG2-CG 4.04Å; V848-L926 HydrophobicContact CG2-CB 4.15Å; V848-L926 HydrophobicContact CG2-CD1 4.35Å; V848-K927 HydrophobicContact CB-CD 4.01Å; V848-K927 HydrophobicContact CB-CG 4.04Å; V848-K927 HydrophobicContact CG1-CD 3.91Å; V848-K927 HydrophobicContact CG1-CG 3.66Å; V848-K927 HydrophobicContact CG2-CG 4.26Å
849	D	96.4	Very high	96.4	Very high	36 Å²	36	29.7 Å²	29.7	19%	0.193	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-35.5	-178.9	-63.8	-39.9	0	0	0	111.8	R703 H759 C845 M846 V852 T853 K927	R703-D849 IonicContact NH2-OD1 3.1Å; R703-D849 PolarHBondContact NH2-OD1 3.49Å; H759-D849 IonicContact CE1-OD2 3.71Å; H759-D849 IonicContact CG-OD2 2.83Å; H759-D849 IonicContact ND1-OD2 2.7Å; H759-D849 PolarHBondContact ND1-OD2 3.28Å; C845-D849 PolarHBondContact O-N 2.86Å; M846-D849 PolarHBondContact O-N 2.79Å; D849-V852 PolarHBondContact O-N 3.43Å; D849-T853 WeakPolarHBondContact O-CB 3.42Å; D849-T853 WeakPolarHBondContact O-CG2 3.44Å; D849-T853 PolarHBondContact O-N 3.11Å; D849-T853 PolarHBondContact O-OG1 3.37Å; D849-K927 IonicContact OD1-NZ 3.17Å; D849-K927 PolarHBondContact OD1-NZ 3.32Å; D849-K927 IonicContact OD2-NZ 3.1Å; D849-K927 PolarHBondContact OD2-NZ 3.18Å
850	R	96.2	Very high	96.3	Very high	113 Å²	113	31.6 Å²	31.6	43%	0.426	18%	0.177	S	C	.	.	H	α-helix	trans	-65.3	-37.3	173.7	-177.2	61.3	64.6	86.2	0.6	112.8	M846 A847 V848 V852 T853 S854 D858 A859	M846-R850 WeakPolarHBondContact O-CB 3.41Å; M846-R850 PolarHBondContact O-N 3.14Å; A847-R850 PolarHBondContact O-N 2.93Å; V848-R850 VanDerWaalsContact C-N 3.34Å; V848-R850 PolarHBondContact O-N 3.07Å; R850-V852 PolarHBondContact O-N 3.32Å; R850-T853 PolarHBondContact O-N 2.68Å; R850-S854 PolarHBondContact O-N 3.17Å; R850-D858 HydrophobicContact CG-CB 4.05Å; R850-A859 HydrophobicContact CB-CB 4.13Å; R850-A859 HydrophobicContact CG-CB 4.06Å
851	S	95.6	Very high	96.2	Very high	6 Å²	6	35.2 Å²	35.2	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-23.2	177.9	-59.3	0	0	0	0	113.2	L662 A847 V848 A859	L662-S851 WeakPolarHBondContact CD1-O 3.39Å; A847-S851 WeakPolarHBondContact O-CB 3.22Å; A847-S851 PolarHBondContact O-N 3.27Å; A847-S851 PolarHBondContact O-OG 2.99Å; V848-S851 PolarHBondContact O-N 3.37Å; S851-A859 VanDerWaalsContact OG-CB 3.25Å; S851-A859 WeakPolarHBondContact OG-CB 3.37Å
852	V	92.7	Very high	96.1	Very high	46 Å²	46	36.9 Å²	36.9	28%	0.279	21%	0.21	S	C	.	.	H	α-helix	trans	-99.5	-29.5	179.4	-178.8	0	0	0	0	112.2	V848 D849 R850	V848-V852 PolarHBondContact O-N 3.16Å; D849-V852 PolarHBondContact O-N 3.43Å; R850-V852 PolarHBondContact O-N 3.32Å
853	T	93.9	Very high	96.1	Very high	115 Å²	115	37 Å²	37	71%	0.706	21%	0.211	S	C	*	.	H	α-helix	trans	-94.3	-14	-178.6	55.5	0	0	0	0	115	D849 R850	D849-T853 WeakPolarHBondContact O-CB 3.42Å; D849-T853 WeakPolarHBondContact O-CG2 3.44Å; D849-T853 PolarHBondContact O-N 3.11Å; D849-T853 PolarHBondContact O-OG1 3.37Å; R850-T853 PolarHBondContact O-N 2.68Å
854	S	94.2	Very high	96	Very high	73 Å²	73	37 Å²	37	51%	0.51	21%	0.211	S	C	.	.	S	Bend	trans	-136	-95.6	-179.1	-159.1	0	0	0	0	110.1	R850 D858	R850-S854 PolarHBondContact O-N 3.17Å; S854-D858 WeakPolarHBondContact CB-OD2 3.39Å; S854-D858 PolarHBondContact OG-OD2 2.97Å
855	S	93	Very high	96	Very high	25 Å²	25	40.8 Å²	40.8	18%	0.175	23%	0.231	C	C	.	.			trans	-150.4	169	175.9	74.6	0	0	0	0	111.3	D658 S857 D858 A859	D658-S855 WeakPolarHBondContact OD1-CB 3.39Å; S855-S857 PolarHBondContact OG-N 3.5Å; S855-D858 WeakPolarHBondContact CB-OD2 3.25Å; S855-D858 PolarHBondContact N-OD2 3.49Å; S855-D858 PolarHBondContact OG-N 3.26Å; S855-D858 PolarHBondContact OG-OD2 3.48Å; S855-A859 PolarHBondContact O-N 3.38Å
856	L	92.9	Very high	96	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-72.1	-32.1	172.9	176.6	58.2	0	0	0	111.3	V659 A859 R860 F908 T910	V659-L856 HydrophobicContact CG2-CD2 3.64Å; L856-A859 PolarHBondContact O-N 3.1Å; L856-R860 HydrophobicContact CD1-CG 4.13Å; L856-R860 HydrophobicContact CG-CG 4.45Å; L856-R860 VanDerWaalsContact O-CG 3.28Å; L856-R860 WeakPolarHBondContact O-CG 3.48Å; L856-R860 PolarHBondContact O-N 2.75Å; L856-R860 VanDerWaalsContact O-N 3.17Å; L856-F908 HydrophobicContact CD1-CB 4.15Å; L856-F908 HydrophobicContact CD1-CD1 3.99Å; L856-T910 HydrophobicContact CD2-CG2 3.8Å; L856-T910 HydrophobicContact CG-CG2 4.4Å
857	S	93.3	Very high	95.9	Very high	53 Å²	53	38.5 Å²	38.5	37%	0.371	22%	0.222	S	C	.	.	H	α-helix	trans	-60.9	-51.8	173.6	-156.1	0	0	0	0	110.6	S855 A859 R860 D861	S855-S857 PolarHBondContact OG-N 3.5Å; S857-A859 PolarHBondContact O-N 2.99Å; S857-R860 WeakPolarHBondContact O-CA 3.45Å; S857-R860 WeakPolarHBondContact O-CB 3.31Å; S857-R860 PolarHBondContact O-N 2.81Å; S857-D861 WeakPolarHBondContact O-CB 3.45Å; S857-D861 VanDerWaalsContact O-CG 3.26Å; S857-D861 PolarHBondContact O-N 3.19Å; S857-D861 PolarHBondContact OG-OD2 3.49Å
858	D	95.3	Very high	95.9	Very high	61 Å²	61	39 Å²	39	33%	0.326	22%	0.224	S	C	.	.	H	α-helix	trans	-55.2	-34.7	-178.9	-63	-51.5	0	0	0	113.1	R850 S854 S855 A862	R850-D858 HydrophobicContact CG-CB 4.05Å; S854-D858 WeakPolarHBondContact CB-OD2 3.39Å; S854-D858 PolarHBondContact OG-OD2 2.97Å; S855-D858 WeakPolarHBondContact CB-OD2 3.25Å; S855-D858 PolarHBondContact N-OD2 3.49Å; S855-D858 PolarHBondContact OG-N 3.26Å; S855-D858 PolarHBondContact OG-OD2 3.48Å; D858-A862 WeakPolarHBondContact O-CB 3.33Å; D858-A862 PolarHBondContact O-N 3.44Å
859	A	96.6	Very high	95.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-71.1	-42.4	176.7	0	0	0	0	0	112.2	A847 R850 S851 S855 L856 S857 M863	A847-A859 HydrophobicContact CB-CB 4.27Å; A847-A859 WeakPolarHBondContact O-CB 3.29Å; R850-A859 HydrophobicContact CB-CB 4.13Å; R850-A859 HydrophobicContact CG-CB 4.06Å; S851-A859 VanDerWaalsContact OG-CB 3.25Å; S851-A859 WeakPolarHBondContact OG-CB 3.37Å; S855-A859 PolarHBondContact O-N 3.38Å; L856-A859 PolarHBondContact O-N 3.1Å; S857-A859 PolarHBondContact O-N 2.99Å; A859-M863 WeakPolarHBondContact O-CE 3.47Å; A859-M863 WeakPolarHBondContact O-CG 3.45Å; A859-M863 PolarHBondContact O-N 3.4Å; A859-M863 VanDerWaalsContact O-N 3.1Å
860	R	96.1	Very high	95.9	Very high	39 Å²	39	40 Å²	40	15%	0.147	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-42.9	176.9	-67.4	170.1	62.2	74.7	8.3	111.8	L856 S857 M863 T864 L903 F908	L856-R860 HydrophobicContact CD1-CG 4.13Å; L856-R860 HydrophobicContact CG-CG 4.45Å; L856-R860 VanDerWaalsContact O-CG 3.28Å; L856-R860 WeakPolarHBondContact O-CG 3.48Å; L856-R860 PolarHBondContact O-N 2.75Å; L856-R860 VanDerWaalsContact O-N 3.17Å; S857-R860 WeakPolarHBondContact O-CA 3.45Å; S857-R860 WeakPolarHBondContact O-CB 3.31Å; S857-R860 PolarHBondContact O-N 2.81Å; R860-M863 PolarHBondContact O-N 2.81Å; R860-T864 PolarHBondContact O-N 3.19Å; R860-T864 PolarHBondContact O-OG1 2.82Å; R860-L903 HydrophobicContact CB-CD2 3.62Å; R860-L903 HydrophobicContact CG-CD2 3.81Å; R860-L903 PolarHBondContact NH1-O 2.83Å; R860-F908 WeakPolarHBondContact CD-O 3.41Å; R860-F908 PolarHBondContact NH1-O 2.92Å
861	D	96.3	Very high	95.8	Very high	76 Å²	76	34.6 Å²	34.6	41%	0.406	21%	0.208	S	C	.	.	H	α-helix	trans	-68.6	-41.9	179.3	-62.5	-39.3	0	0	0	110.3	S857 M863 T864 N865	S857-D861 WeakPolarHBondContact O-CB 3.45Å; S857-D861 VanDerWaalsContact O-CG 3.26Å; S857-D861 PolarHBondContact O-N 3.19Å; S857-D861 PolarHBondContact OG-OD2 3.49Å; D861-M863 PolarHBondContact O-N 2.87Å; D861-T864 PolarHBondContact O-N 2.94Å; D861-N865 VanDerWaalsContact O-CB 3.31Å; D861-N865 WeakPolarHBondContact O-CB 3.41Å; D861-N865 PolarHBondContact O-N 2.88Å; D861-N865 PolarHBondContact O-ND2 3.23Å
862	A	97.6	Very high	95.8	Very high	41 Å²	41	35.3 Å²	35.3	34%	0.339	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-40.8	173.2	0	0	0	0	0	113.5	D858 A866	D858-A862 WeakPolarHBondContact O-CB 3.33Å; D858-A862 PolarHBondContact O-N 3.44Å; A862-A866 PolarHBondContact O-N 3.11Å
863	M	97.2	Very high	95.9	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-39.5	174.6	-75.3	-172.8	-65.8	0	0	112.2	A847 A859 R860 D861 A866 I899 L902 L903 F908	A847-M863 HydrophobicContact CB-CE 3.91Å; A847-M863 HydrophobicContact CB-CG 3.89Å; A847-M863 HydrophobicContact CB-SD 3.53Å; A847-M863 VanDerWaalsContact CB-SD 3.53Å; A859-M863 WeakPolarHBondContact O-CE 3.47Å; A859-M863 WeakPolarHBondContact O-CG 3.45Å; A859-M863 PolarHBondContact O-N 3.4Å; A859-M863 VanDerWaalsContact O-N 3.1Å; R860-M863 PolarHBondContact O-N 2.81Å; D861-M863 PolarHBondContact O-N 2.87Å; M863-A866 PolarHBondContact O-N 3.41Å; M863-I899 HydrophobicContact CB-CD1 4.32Å; M863-I899 HydrophobicContact CB-CG2 4.36Å; M863-L902 HydrophobicContact CE-CB 4.46Å; M863-L902 HydrophobicContact SD-CB 3.88Å; M863-L902 HydrophobicContact SD-CD1 3.89Å; M863-L902 HydrophobicContact SD-CG 4.39Å; M863-L903 HydrophobicContact CE-CD2 4.13Å; M863-F908 HydrophobicContact CE-CB 4.18Å; M863-F908 HydrophobicContact CE-CD1 4.26Å; M863-F908 HydrophobicContact CE-CD2 3.85Å; M863-F908 HydrophobicContact CE-CE2 4.28Å; M863-F908 HydrophobicContact CE-CG 3.83Å; M863-F908 HydrophobicContact SD-CD2 4.4Å; M863-F908 HydrophobicContact SD-CE2 4.35Å
864	T	97.8	Very high	95.8	Very high	15 Å²	15	28.4 Å²	28.4	9%	0.092	17%	0.171	C	C	.	.	H	α-helix	trans	-66.9	-44.5	176.9	-53.4	0	0	0	0	111	R860 D861 A866 A867 I868 F1079 L1083	R860-T864 PolarHBondContact O-N 3.19Å; R860-T864 PolarHBondContact O-OG1 2.82Å; D861-T864 PolarHBondContact O-N 2.94Å; T864-A866 VanDerWaalsContact C-N 3.3Å; T864-A866 PolarHBondContact O-N 2.91Å; T864-A867 WeakPolarHBondContact O-CB 3.36Å; T864-A867 PolarHBondContact O-N 3.42Å; T864-A867 VanDerWaalsContact O-N 3.11Å; T864-I868 HydrophobicContact CG2-CD1 4.07Å; T864-I868 WeakPolarHBondContact O-CG1 3.49Å; T864-I868 PolarHBondContact O-N 3.36Å; T864-I868 VanDerWaalsContact O-N 3.11Å; T864-F1079 HydrophobicContact CG2-CE2 4.07Å; T864-F1079 HydrophobicContact CG2-CZ 4.37Å; T864-L1083 HydrophobicContact CG2-CD2 4.28Å
865	N	98	Very high	95.6	Very high	81 Å²	81	27.5 Å²	27.5	43%	0.433	16%	0.156	S	C	.	.	H	α-helix	trans	-63.8	-32.9	177	-68.2	-17.9	0	0	0	112	D861 A867 I868 D869	D861-N865 VanDerWaalsContact O-CB 3.31Å; D861-N865 WeakPolarHBondContact O-CB 3.41Å; D861-N865 PolarHBondContact O-N 2.88Å; D861-N865 PolarHBondContact O-ND2 3.23Å; N865-A867 VanDerWaalsContact C-N 3.27Å; N865-A867 PolarHBondContact O-N 2.79Å; N865-I868 PolarHBondContact O-N 3.41Å; N865-D869 VanDerWaalsContact O-CB 3.29Å; N865-D869 WeakPolarHBondContact O-CB 3.49Å; N865-D869 PolarHBondContact O-N 3.26Å
866	A	97.5	Very high	95.4	Very high	14 Å²	14	33.2 Å²	33.2	12%	0.116	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-35.1	173.4	0	0	0	0	0	112.8	L843 A862 M863 T864 S870 F895	L843-A866 HydrophobicContact CD1-CB 4.01Å; L843-A866 HydrophobicContact CD2-CB 4.23Å; A862-A866 PolarHBondContact O-N 3.11Å; M863-A866 PolarHBondContact O-N 3.41Å; T864-A866 VanDerWaalsContact C-N 3.3Å; T864-A866 PolarHBondContact O-N 2.91Å; A866-S870 WeakPolarHBondContact O-CB 3.48Å; A866-S870 PolarHBondContact O-N 2.95Å; A866-S870 PolarHBondContact O-OG 3.38Å; A866-F895 HydrophobicContact CB-CZ 4.36Å
867	A	97.4	Very high	94.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-74.6	-39.5	173.4	0	0	0	0	0	112.6	T864 N865 S870 L871 F895 I899 L1083	T864-A867 WeakPolarHBondContact O-CB 3.36Å; T864-A867 PolarHBondContact O-N 3.42Å; T864-A867 VanDerWaalsContact O-N 3.11Å; N865-A867 VanDerWaalsContact C-N 3.27Å; N865-A867 PolarHBondContact O-N 2.79Å; A867-S870 PolarHBondContact O-OG 3.2Å; A867-L871 WeakPolarHBondContact O-CB 3.46Å; A867-L871 VanDerWaalsContact O-CG 3.28Å; A867-L871 WeakPolarHBondContact O-CG 3.28Å; A867-L871 PolarHBondContact O-N 3.29Å; A867-F895 HydrophobicContact CB-CE1 4.33Å; A867-I899 HydrophobicContact CB-CG1 4.3Å; A867-L1083 HydrophobicContact CB-CD1 4.24Å; A867-L1083 HydrophobicContact CB-CD2 4.03Å
868	I	97.8	Very high	93.9	Very high	17 Å²	17	35 Å²	35	9%	0.087	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-55.4	177.1	-65.4	166	0	0	0	110.3	T864 N865 S870 L871 S872 L1083 Q1086 I1087	T864-I868 HydrophobicContact CG2-CD1 4.07Å; T864-I868 WeakPolarHBondContact O-CG1 3.49Å; T864-I868 PolarHBondContact O-N 3.36Å; T864-I868 VanDerWaalsContact O-N 3.11Å; N865-I868 PolarHBondContact O-N 3.41Å; I868-S870 PolarHBondContact O-N 2.91Å; I868-L871 PolarHBondContact O-N 3.07Å; I868-S872 WeakPolarHBondContact O-CB 3.36Å; I868-S872 PolarHBondContact O-N 3.24Å; I868-L1083 HydrophobicContact CD1-CD2 4.27Å; I868-L1083 HydrophobicContact CG1-CD2 3.5Å; I868-Q1086 HydrophobicContact CD1-CB 3.64Å; I868-Q1086 HydrophobicContact CD1-CG 3.8Å; I868-Q1086 HydrophobicContact CG1-CB 4.08Å; I868-Q1086 HydrophobicContact CG2-CB 4.16Å; I868-I1087 HydrophobicContact CB-CG1 4.47Å; I868-I1087 HydrophobicContact CG2-CG1 3.94Å
869	D	97.1	Very high	93.1	Very high	58 Å²	58	33.2 Å²	33.2	31%	0.31	18%	0.184	S	C	.	.	H	α-helix	trans	-63	-42	-173.7	-84.8	24.2	0	0	0	112.6	K399 N865 S873	K399-D869 HydrophobicContact CB-CB 3.79Å; K399-D869 HydrophobicContact CD-CB 3.91Å; K399-D869 WeakPolarHBondContact CD-OD2 3.39Å; K399-D869 WeakPolarHBondContact CE-OD2 3.37Å; K399-D869 HydrophobicContact CG-CB 3.82Å; K399-D869 IonicContact NZ-OD2 3.24Å; K399-D869 PolarHBondContact NZ-OD2 2.9Å; N865-D869 VanDerWaalsContact O-CB 3.29Å; N865-D869 WeakPolarHBondContact O-CB 3.49Å; N865-D869 PolarHBondContact O-N 3.26Å; D869-S873 WeakPolarHBondContact O-CB 3.44Å; D869-S873 PolarHBondContact O-N 3.37Å
870	S	96.4	Very high	91.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-73.8	-39.6	-178.6	57.7	0	0	0	0	113	A866 A867 I868 S873 Y874 F895	A866-S870 WeakPolarHBondContact O-CB 3.48Å; A866-S870 PolarHBondContact O-N 2.95Å; A866-S870 PolarHBondContact O-OG 3.38Å; A867-S870 PolarHBondContact O-OG 3.2Å; I868-S870 PolarHBondContact O-N 2.91Å; S870-S873 PolarHBondContact O-N 3.4Å; S870-Y874 WeakPolarHBondContact O-CB 3.47Å; S870-Y874 PolarHBondContact O-N 2.99Å; S870-F895 WeakPolarHBondContact OG-CE1 3.48Å
871	L	95.7	Very high	90.9	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-71	-36.1	174.2	-66.3	179.5	0	0	0	112	A867 I868 R875 L886 A888 P896 I1087	A867-L871 WeakPolarHBondContact O-CB 3.46Å; A867-L871 VanDerWaalsContact O-CG 3.28Å; A867-L871 WeakPolarHBondContact O-CG 3.28Å; A867-L871 PolarHBondContact O-N 3.29Å; I868-L871 PolarHBondContact O-N 3.07Å; L871-R875 WeakPolarHBondContact O-CB 3.28Å; L871-R875 PolarHBondContact O-N 2.9Å; L871-L886 HydrophobicContact CD1-CD1 4.16Å; L871-A888 HydrophobicContact CD2-CB 3.61Å; L871-P896 HydrophobicContact CD1-CG 3.88Å; L871-I1087 HydrophobicContact CB-CD1 3.76Å; L871-I1087 HydrophobicContact CD1-CD1 4.42Å
872	S	94.9	Very high	89.7	Confident	21 Å²	21	45.5 Å²	45.5	15%	0.147	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-45.4	172.3	-169.5	0	0	0	0	111.2	I868 Y874 R875 Q876	I868-S872 WeakPolarHBondContact O-CB 3.36Å; I868-S872 PolarHBondContact O-N 3.24Å; S872-Y874 PolarHBondContact O-N 2.95Å; S872-R875 WeakPolarHBondContact O-CB 3.48Å; S872-R875 PolarHBondContact O-N 3.13Å; S872-Q876 WeakPolarHBondContact O-CB 3.43Å; S872-Q876 VanDerWaalsContact O-CG 3.3Å; S872-Q876 WeakPolarHBondContact O-CG 3.43Å; S872-Q876 PolarHBondContact O-N 2.9Å; S872-Q876 PolarHBondContact OG-NE2 3.09Å
873	S	94.3	Very high	88.6	Confident	10 Å²	10	48.2 Å²	48.2	7%	0.07	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-48.7	174.7	177.1	0	0	0	0	112.7	K397 D869 S870 R875 Q876 S877	K397-S873 WeakPolarHBondContact O-CB 3.26Å; K397-S873 PolarHBondContact O-OG 2.86Å; D869-S873 WeakPolarHBondContact O-CB 3.44Å; D869-S873 PolarHBondContact O-N 3.37Å; S870-S873 PolarHBondContact O-N 3.4Å; S873-R875 VanDerWaalsContact C-N 3.34Å; S873-R875 PolarHBondContact O-N 3.34Å; S873-Q876 PolarHBondContact O-N 3.26Å; S873-S877 WeakPolarHBondContact O-CB 3.16Å; S873-S877 PolarHBondContact O-N 3.25Å
874	Y	92.2	Very high	87.7	Confident	6 Å²	6	53.6 Å²	53.6	2%	0.024	29%	0.294	C	S	.	.	H	α-helix	trans	-56.5	-46.5	173.7	176.5	-105.4	0	0	0	111.9	L343 F831 S870 S872 Q876 A878 L879 P889	L343-Y874 PolarHBondContact O-OH 3.44Å; F831-Y874 AromaticContact CD2-CD2 3.95Å; F831-Y874 HydrophobicContact CD2-CD2 3.95Å; F831-Y874 HydrophobicContact CE2-CD2 4.23Å; F831-Y874 HydrophobicContact CG-CD2 4.16Å; S870-Y874 WeakPolarHBondContact O-CB 3.47Å; S870-Y874 PolarHBondContact O-N 2.99Å; S872-Y874 PolarHBondContact O-N 2.95Å; Y874-Q876 VanDerWaalsContact C-N 3.34Å; Y874-Q876 PolarHBondContact O-N 3.3Å; Y874-A878 HydrophobicContact CD2-CB 3.61Å; Y874-A878 HydrophobicContact CE2-CB 3.98Å; Y874-A878 HydrophobicContact CG-CB 4.41Å; Y874-A878 PolarHBondContact O-N 3.37Å; Y874-L879 HydrophobicContact CD1-CD1 4.1Å; Y874-L879 HydrophobicContact CD1-CG 3.99Å; Y874-L879 HydrophobicContact CE1-CD1 3.77Å; Y874-L879 HydrophobicContact CE1-CD2 3.6Å; Y874-L879 HydrophobicContact CE1-CG 3.56Å; Y874-L879 HydrophobicContact CE2-CD2 4.43Å; Y874-L879 PolarHBondContact O-N 3.42Å; Y874-L879 VanDerWaalsContact O-N 3.1Å; Y874-L879 WeakPolarHBondContact OH-CD2 3.47Å; Y874-P889 HydrophobicContact CD2-CB 4.23Å; Y874-P889 HydrophobicContact CD2-CG 3.9Å; Y874-P889 HydrophobicContact CE1-CB 4.43Å; Y874-P889 HydrophobicContact CE1-CG 4.45Å; Y874-P889 HydrophobicContact CE2-CB 3.61Å; Y874-P889 HydrophobicContact CE2-CG 3.8Å; Y874-P889 HydrophobicContact CG-CG 4.29Å
875	R	90	Very high	87.2	Confident	54 Å²	54	53.5 Å²	53.5	20%	0.204	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-37	178.9	-173	-174.3	-176.5	98.9	26.9	113.4	L871 S872 S873 Q882 Q883 G885	L871-R875 WeakPolarHBondContact O-CB 3.28Å; L871-R875 PolarHBondContact O-N 2.9Å; S872-R875 WeakPolarHBondContact O-CB 3.48Å; S872-R875 PolarHBondContact O-N 3.13Å; S873-R875 VanDerWaalsContact C-N 3.34Å; S873-R875 PolarHBondContact O-N 3.34Å; R875-Q882 VanDerWaalsContact NE-OE1 3.16Å; R875-Q882 PolarHBondContact O-NE2 3.34Å; R875-Q883 PolarHBondContact NH2-O 2.94Å; R875-G885 PolarHBondContact NH1-O 2.86Å
876	Q	88.4	Confident	86.9	Confident	144 Å²	144	49.8 Å²	49.8	67%	0.673	28%	0.276	S	S	*	.	H	α-helix	trans	-84.5	-35.5	-177.2	-69.3	176.5	12.3	0	0	113.1	S872 S873 Y874	S872-Q876 WeakPolarHBondContact O-CB 3.43Å; S872-Q876 VanDerWaalsContact O-CG 3.3Å; S872-Q876 WeakPolarHBondContact O-CG 3.43Å; S872-Q876 PolarHBondContact O-N 2.9Å; S872-Q876 PolarHBondContact OG-NE2 3.09Å; S873-Q876 PolarHBondContact O-N 3.26Å; Y874-Q876 VanDerWaalsContact C-N 3.34Å; Y874-Q876 PolarHBondContact O-N 3.3Å
877	S	80	Confident	86.7	Confident	76 Å²	76	49.5 Å²	49.5	53%	0.531	27%	0.273	S	S	.	.	H	α-helix	trans	-123.4	-10.2	-163.2	-61	0	0	0	0	115.7	S873	S873-S877 WeakPolarHBondContact O-CB 3.16Å; S873-S877 PolarHBondContact O-N 3.25Å
878	A	74.8	Confident	86.5	Confident	17 Å²	17	49.5 Å²	49.5	14%	0.14	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-20.3	-180	0	0	0	0	0	114.2	F831 Y874	F831-A878 HydrophobicContact CD2-CB 4.14Å; F831-A878 HydrophobicContact CE2-CB 4.42Å; Y874-A878 HydrophobicContact CD2-CB 3.61Å; Y874-A878 HydrophobicContact CE2-CB 3.98Å; Y874-A878 HydrophobicContact CG-CB 4.41Å; Y874-A878 PolarHBondContact O-N 3.37Å
879	L	78.6	Confident	86.3	Confident	24 Å²	24	48.7 Å²	48.7	13%	0.126	27%	0.268	C	S	.	.			trans	-88.4	111.6	174.1	-74	-176.7	0	0	0	112.7	V345 Y874 I881 L887	V345-L879 HydrophobicContact CG1-CD2 4.26Å; V345-L879 HydrophobicContact CG2-CD2 3.65Å; Y874-L879 HydrophobicContact CD1-CD1 4.1Å; Y874-L879 HydrophobicContact CD1-CG 3.99Å; Y874-L879 HydrophobicContact CE1-CD1 3.77Å; Y874-L879 HydrophobicContact CE1-CD2 3.6Å; Y874-L879 HydrophobicContact CE1-CG 3.56Å; Y874-L879 HydrophobicContact CE2-CD2 4.43Å; Y874-L879 PolarHBondContact O-N 3.42Å; Y874-L879 VanDerWaalsContact O-N 3.1Å; Y874-L879 WeakPolarHBondContact OH-CD2 3.47Å; L879-I881 VanDerWaalsContact C-N 3.26Å; L879-I881 PolarHBondContact O-N 3.17Å; L879-L887 HydrophobicContact CD1-CB 3.79Å; L879-L887 HydrophobicContact CD1-CD1 3.51Å; L879-L887 HydrophobicContact CD1-CG 4.31Å
880	T	72.6	Confident	86.2	Confident	145 Å²	145	46.4 Å²	46.4	89%	0.89	26%	0.258	S	S	*	.	S	Bend	trans	-68.4	-21.7	173.8	-36.8	0	0	0	0	113.5
881	I	74.3	Confident	86	Confident	115 Å²	115	47.5 Å²	47.5	59%	0.59	27%	0.265	S	S	*	.	S	Bend	trans	-123.8	118	-178.3	-56.1	178	0	0	0	109.2	L879 Q883	L879-I881 VanDerWaalsContact C-N 3.26Å; L879-I881 PolarHBondContact O-N 3.17Å; I881-Q883 HydrophobicContact CG2-CG 4.03Å; I881-Q883 PolarHBondContact O-N 2.83Å
882	Q	71.2	Confident	86.1	Confident	113 Å²	113	47.5 Å²	47.5	53%	0.528	27%	0.265	S	S	.	.			trans	-73.6	112.6	171	-71.9	-63.8	-33.1	0	0	110.1	R875	R875-Q882 VanDerWaalsContact NE-OE1 3.16Å; R875-Q882 PolarHBondContact O-NE2 3.34Å
883	Q	74.1	Confident	86.1	Confident	99 Å²	99	49.5 Å²	49.5	46%	0.463	27%	0.27	S	S	.	.			trans	-112.6	152.4	170.9	-62.1	-171.2	9.5	0	0	111.2	R875 I881 L887	R875-Q883 PolarHBondContact NH2-O 2.94Å; I881-Q883 HydrophobicContact CG2-CG 4.03Å; I881-Q883 PolarHBondContact O-N 2.83Å; Q883-L887 HydrophobicContact CB-CD1 3.94Å
884	P	79.6	Confident	86.2	Confident	115 Å²	115	49.3 Å²	49.3	75%	0.747	27%	0.268	S	S	*	.	S	Bend	trans	-69.9	152.2	173	30.1	-35.3	0	0	0	111.7
885	G	86.2	Confident	86.5	Confident	13 Å²	13	49 Å²	49	13%	0.134	27%	0.267	C	S	.	.	S	Bend	trans	106.2	-170.1	-177.4	0	0	0	0	0	113.7	R875	R875-G885 PolarHBondContact NH1-O 2.86Å
886	L	91.6	Very high	86.9	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.021	26%	0.257	C	S	.	.			trans	-107	103.7	-180	178.8	59.6	0	0	0	108.8	N347 L348 L349 L871 L1080 L1083 Q1084 I1087	N347-L886 WeakPolarHBondContact CA-O 3.49Å; N347-L886 PolarHBondContact OD1-N 3.11Å; N347-L886 PolarHBondContact OD1-O 2.77Å; L348-L886 HydrophobicContact CD1-CD2 4.49Å; L348-L886 HydrophobicContact CD1-CG 4.47Å; L348-L886 PolarHBondContact N-O 3.45Å; L349-L886 HydrophobicContact CD1-CB 3.83Å; L349-L886 HydrophobicContact CG-CB 4.02Å; L871-L886 HydrophobicContact CD1-CD1 4.16Å; L886-L1080 HydrophobicContact CD2-CB 3.99Å; L886-L1080 HydrophobicContact CD2-CD2 3.74Å; L886-L1080 HydrophobicContact CD2-CG 4.42Å; L886-L1080 WeakPolarHBondContact CD2-O 3.18Å; L886-L1083 HydrophobicContact CD2-CB 4.12Å; L886-Q1084 HydrophobicContact CB-CB 4.43Å; L886-I1087 HydrophobicContact CD1-CD1 3.62Å
887	L	92.6	Very high	87.3	Confident	7 Å²	7	39.7 Å²	39.7	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.5	-168.9	-51.9	176.1	0	0	0	110.7	V345 V346 N347 L879 Q883	V345-L887 HydrophobicContact CG1-CB 4.08Å; V345-L887 HydrophobicContact CG1-CD2 4.11Å; V345-L887 HydrophobicContact CG1-CG 4.46Å; V346-L887 WeakPolarHBondContact O-CA 3.3Å; N347-L887 HydrophobicContact CB-CD2 3.99Å; L879-L887 HydrophobicContact CD1-CB 3.79Å; L879-L887 HydrophobicContact CD1-CD1 3.51Å; L879-L887 HydrophobicContact CD1-CG 4.31Å; Q883-L887 HydrophobicContact CB-CD1 3.94Å
888	A	94.5	Very high	88.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.6	174.7	0	0	0	0	0	110.6	V346 L348 L871	V346-A888 PolarHBondContact N-O 3.36Å; V346-A888 PolarHBondContact O-N 3.33Å; L348-A888 HydrophobicContact CD1-CB 3.91Å; L348-A888 HydrophobicContact CD2-CB 4.29Å; L348-A888 HydrophobicContact CG-CB 4.11Å; L871-A888 HydrophobicContact CD2-CB 3.61Å
889	P	94.3	Very high	89.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	148.8	165	30.8	-30.8	0	0	0	109.4	L343 F831 Y874 C891 L892 R893	L343-P889 HydrophobicContact CD2-CB 4.17Å; F831-P889 HydrophobicContact CD1-CG 4.48Å; Y874-P889 HydrophobicContact CD2-CB 4.23Å; Y874-P889 HydrophobicContact CD2-CG 3.9Å; Y874-P889 HydrophobicContact CE1-CB 4.43Å; Y874-P889 HydrophobicContact CE1-CG 4.45Å; Y874-P889 HydrophobicContact CE2-CB 3.61Å; Y874-P889 HydrophobicContact CE2-CG 3.8Å; Y874-P889 HydrophobicContact CG-CG 4.29Å; P889-C891 PolarHBondContact O-N 3.31Å; P889-C891 VanDerWaalsContact O-N 3.12Å; P889-L892 HydrophobicContact CG-CB 4.03Å; P889-L892 HydrophobicContact CG-CD1 4.11Å; P889-L892 HydrophobicContact CG-CG 4.11Å; P889-L892 CarbonylContact O-C 3.59Å; P889-L892 PolarHBondContact O-N 2.8Å; P889-R893 PolarHBondContact O-N 2.84Å
890	A	93.3	Very high	90.2	Very high	11 Å²	11	34.8 Å²	34.8	9%	0.091	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-57	-30.4	-176.6	0	0	0	0	0	114	E341 A342 R344 V346 L892 R893	E341-A890 WeakPolarHBondContact O-CB 3.47Å; A342-A890 PolarHBondContact O-N 3.24Å; A342-A890 VanDerWaalsContact O-N 3.09Å; R344-A890 HydrophobicContact CB-CB 4.45Å; R344-A890 PolarHBondContact O-N 3.21Å; V346-A890 HydrophobicContact CG2-CB 4.08Å; A890-L892 VanDerWaalsContact C-N 3.31Å; A890-L892 PolarHBondContact O-N 3.05Å; A890-R893 WeakPolarHBondContact O-CB 3.33Å; A890-R893 WeakPolarHBondContact O-CD 3.36Å; A890-R893 WeakPolarHBondContact O-CG 3.49Å; A890-R893 PolarHBondContact O-N 3.38Å
891	C	93.9	Very high	91.4	Very high	23 Å²	23	28 Å²	28	16%	0.155	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-60.3	-36.3	172.9	58.6	0	0	0	0	113.2	A342 F831 V836 P889	A342-C891 HydrophobicContact CB-CB 4.3Å; A342-C891 PolarHBondContact O-N 2.86Å; A342-C891 PolarHBondContact O-SG 3.2Å; A342-C891 VanDerWaalsContact O-SG 3.33Å; F831-C891 PolarHBondContact O-SG 3.36Å; V836-C891 WeakPolarHBondContact CB-O 3.33Å; V836-C891 WeakPolarHBondContact CG1-O 3.16Å; P889-C891 PolarHBondContact O-N 3.31Å; P889-C891 VanDerWaalsContact O-N 3.12Å
892	L	96.1	Very high	92.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-99.3	9.2	179.1	-62.8	-178.4	0	0	0	113.3	L400 F831 A834 V836 I839 P889 A890 L894 F895	L400-L892 HydrophobicContact CD1-CD1 4.39Å; L400-L892 HydrophobicContact CD2-CD1 4.16Å; F831-L892 HydrophobicContact CD1-CD1 3.79Å; F831-L892 HydrophobicContact CE1-CD1 3.9Å; A834-L892 HydrophobicContact CB-CD2 3.98Å; A834-L892 HydrophobicContact CB-CG 4.38Å; V836-L892 HydrophobicContact CB-CD2 4.27Å; V836-L892 HydrophobicContact CG2-CD2 4.38Å; I839-L892 HydrophobicContact CD1-CD2 4.2Å; P889-L892 HydrophobicContact CG-CB 4.03Å; P889-L892 HydrophobicContact CG-CD1 4.11Å; P889-L892 HydrophobicContact CG-CG 4.11Å; P889-L892 CarbonylContact O-C 3.59Å; P889-L892 PolarHBondContact O-N 2.8Å; A890-L892 VanDerWaalsContact C-N 3.31Å; A890-L892 PolarHBondContact O-N 3.05Å; L892-L894 PolarHBondContact O-N 2.92Å; L892-L894 VanDerWaalsContact O-N 3.09Å; L892-F895 HydrophobicContact CB-CB 4.13Å; L892-F895 HydrophobicContact CD2-CB 4.26Å; L892-F895 HydrophobicContact CD2-CG 4.44Å; L892-F895 VanDerWaalsContact O-CB 3.25Å; L892-F895 WeakPolarHBondContact O-CB 3.36Å; L892-F895 PolarHBondContact O-N 2.97Å
893	R	95.6	Very high	93.7	Very high	64 Å²	64	17.6 Å²	17.6	24%	0.242	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.2	-178.4	77.7	-170.5	170.9	135.1	0.6	114.1	V346 L348 L354 P889 A890	V346-R893 HydrophobicContact CB-CB 4.49Å; V346-R893 HydrophobicContact CG2-CB 4.21Å; L348-R893 HydrophobicContact CD2-CB 4.25Å; L354-R893 HydrophobicContact CD2-CB 4.19Å; L354-R893 HydrophobicContact CD2-CG 4.41Å; L354-R893 PolarHBondContact O-NH1 2.65Å; L354-R893 PolarHBondContact O-NH2 2.91Å; P889-R893 PolarHBondContact O-N 2.84Å; A890-R893 WeakPolarHBondContact O-CB 3.33Å; A890-R893 WeakPolarHBondContact O-CD 3.36Å; A890-R893 WeakPolarHBondContact O-CG 3.49Å; A890-R893 PolarHBondContact O-N 3.38Å
894	L	96.9	Very high	94.8	Very high	5 Å²	5	13.8 Å²	13.8	3%	0.026	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.7	176.2	-61.6	179.4	0	0	0	113.4	L354 L355 V360 L892 L897 Y898	L354-L894 HydrophobicContact CB-CD2 3.93Å; L355-L894 HydrophobicContact CD2-CD2 3.94Å; V360-L894 HydrophobicContact CG2-CD1 3.62Å; L892-L894 PolarHBondContact O-N 2.92Å; L892-L894 VanDerWaalsContact O-N 3.09Å; L894-L897 HydrophobicContact CD2-CD2 4.22Å; L894-L897 WeakPolarHBondContact O-CB 3.49Å; L894-L897 PolarHBondContact O-N 3.43Å; L894-L897 VanDerWaalsContact O-N 3.14Å; L894-Y898 HydrophobicContact CB-CD2 4.29Å; L894-Y898 HydrophobicContact CB-CE1 4.47Å; L894-Y898 HydrophobicContact CB-CE2 4.01Å; L894-Y898 HydrophobicContact CD1-CE2 4.4Å; L894-Y898 PolarHBondContact O-N 3.09Å
895	F	97.9	Very high	95.5	Very high	1 Å²	1	9.6 Å²	9.6	0%	0.004	5%	0.05	C	C	.	.	H	α-helix	trans	-65.3	-47.4	-170.8	-173.5	-136.2	0	0	0	112.6	V836 I839 L843 A866 A867 S870 L892 L897 Y898 I899	V836-F895 HydrophobicContact CG2-CB 3.66Å; V836-F895 HydrophobicContact CG2-CD2 4.16Å; V836-F895 HydrophobicContact CG2-CG 4.29Å; I839-F895 HydrophobicContact CG2-CD2 4.35Å; I839-F895 HydrophobicContact CG2-CE2 3.66Å; I839-F895 HydrophobicContact CG2-CZ 3.91Å; L843-F895 HydrophobicContact CD1-CE2 3.72Å; L843-F895 HydrophobicContact CD1-CZ 3.61Å; A866-F895 HydrophobicContact CB-CZ 4.36Å; A867-F895 HydrophobicContact CB-CE1 4.33Å; S870-F895 WeakPolarHBondContact OG-CE1 3.48Å; L892-F895 HydrophobicContact CB-CB 4.13Å; L892-F895 HydrophobicContact CD2-CB 4.26Å; L892-F895 HydrophobicContact CD2-CG 4.44Å; L892-F895 VanDerWaalsContact O-CB 3.25Å; L892-F895 WeakPolarHBondContact O-CB 3.36Å; L892-F895 PolarHBondContact O-N 2.97Å; F895-L897 VanDerWaalsContact C-N 3.27Å; F895-L897 PolarHBondContact O-N 3.12Å; F895-Y898 PolarHBondContact O-N 3.04Å; F895-I899 HydrophobicContact CD2-CD1 4.46Å; F895-I899 HydrophobicContact CD2-CG1 4.1Å; F895-I899 HydrophobicContact CE2-CD1 3.71Å; F895-I899 HydrophobicContact CE2-CG1 3.75Å; F895-I899 HydrophobicContact CZ-CD1 4.08Å; F895-I899 HydrophobicContact CZ-CG1 4.08Å; F895-I899 WeakPolarHBondContact O-CG1 3.23Å; F895-I899 PolarHBondContact O-N 3.2Å
896	P	97.8	Very high	95.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.8	-33.7	171.5	-29.6	40.5	0	0	0	114.2	L348 L871 L900 Y1076 F1079 L1080 L1083	L348-P896 HydrophobicContact CD1-CG 3.78Å; L871-P896 HydrophobicContact CD1-CG 3.88Å; P896-L900 WeakPolarHBondContact O-CB 3.48Å; P896-L900 PolarHBondContact O-N 3.19Å; P896-Y1076 HydrophobicContact CB-CE2 4.2Å; P896-F1079 HydrophobicContact CB-CE1 4.23Å; P896-F1079 VanDerWaalsContact O-CE1 3.3Å; P896-F1079 WeakPolarHBondContact O-CE1 3.18Å; P896-L1080 HydrophobicContact CB-CD2 3.75Å; P896-L1080 HydrophobicContact CG-CD2 4.26Å; P896-L1083 HydrophobicContact CB-CD1 3.7Å; P896-L1083 HydrophobicContact CG-CD1 3.93Å
897	L	97.5	Very high	96.2	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-68	-43.9	178.5	178.3	59.5	0	0	0	110.6	L355 L894 F895 L900 A901 I1066 E1067 Y1076	L355-L897 HydrophobicContact CD2-CD2 4.2Å; L894-L897 HydrophobicContact CD2-CD2 4.22Å; L894-L897 WeakPolarHBondContact O-CB 3.49Å; L894-L897 PolarHBondContact O-N 3.43Å; L894-L897 VanDerWaalsContact O-N 3.14Å; F895-L897 VanDerWaalsContact C-N 3.27Å; F895-L897 PolarHBondContact O-N 3.12Å; L897-L900 PolarHBondContact O-N 3.32Å; L897-A901 WeakPolarHBondContact O-CB 3.5Å; L897-A901 PolarHBondContact O-N 2.78Å; L897-I1066 HydrophobicContact CD1-CD1 4.05Å; L897-E1067 HydrophobicContact CD1-CG 3.56Å; L897-Y1076 HydrophobicContact CB-CD2 4.33Å; L897-Y1076 HydrophobicContact CB-CE2 3.74Å; L897-Y1076 HydrophobicContact CD1-CD2 3.94Å; L897-Y1076 HydrophobicContact CD1-CE2 4.18Å; L897-Y1076 HydrophobicContact CD1-CG 4.3Å
898	Y	98.4	Very high	96.3	Very high	11 Å²	11	12 Å²	12	4%	0.043	6%	0.056	C	C	.	.	H	α-helix	trans	-69.8	-31.9	176.3	-67.9	-16.5	0	0	0	113.5	V836 Q837 T840 L894 F895 A901 L902 M935 H939	V836-Y898 HydrophobicContact CG1-CE2 4.35Å; V836-Y898 HydrophobicContact CG2-CD2 4.03Å; V836-Y898 HydrophobicContact CG2-CE2 4.35Å; Q837-Y898 HydrophobicContact CG-CE2 4.21Å; T840-Y898 HydrophobicContact CG2-CD2 4.46Å; T840-Y898 HydrophobicContact CG2-CG 4.41Å; L894-Y898 HydrophobicContact CB-CD2 4.29Å; L894-Y898 HydrophobicContact CB-CE1 4.47Å; L894-Y898 HydrophobicContact CB-CE2 4.01Å; L894-Y898 HydrophobicContact CD1-CE2 4.4Å; L894-Y898 PolarHBondContact O-N 3.09Å; F895-Y898 PolarHBondContact O-N 3.04Å; Y898-A901 WeakPolarHBondContact O-CB 3.36Å; Y898-A901 PolarHBondContact O-N 3.06Å; Y898-L902 WeakPolarHBondContact O-CG 3.34Å; Y898-L902 PolarHBondContact O-N 3.12Å; Y898-M935 HydrophobicContact CD1-CE 4Å; Y898-M935 HydrophobicContact CD2-CE 3.7Å; Y898-M935 HydrophobicContact CE1-CE 3.82Å; Y898-M935 HydrophobicContact CE2-CE 3.51Å; Y898-M935 HydrophobicContact CG-CE 3.95Å; Y898-H939 HydrophobicContact CD1-CB 4.05Å; Y898-H939 AromaticContact CD1-CD2 3.82Å; Y898-H939 HydrophobicContact CE1-CB 3.91Å; Y898-H939 AromaticContact CE1-CD2 3.64Å; Y898-H939 AromaticContact CE1-CG 3.9Å
899	I	98.4	Very high	96.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.2	-43.6	170	-65.8	-59.2	0	0	0	110.9	L843 M863 A867 F895 A901 L902 L903 F1079	L843-I899 HydrophobicContact CD1-CD1 4.12Å; M863-I899 HydrophobicContact CB-CD1 4.32Å; M863-I899 HydrophobicContact CB-CG2 4.36Å; A867-I899 HydrophobicContact CB-CG1 4.3Å; F895-I899 HydrophobicContact CD2-CD1 4.46Å; F895-I899 HydrophobicContact CD2-CG1 4.1Å; F895-I899 HydrophobicContact CE2-CD1 3.71Å; F895-I899 HydrophobicContact CE2-CG1 3.75Å; F895-I899 HydrophobicContact CZ-CD1 4.08Å; F895-I899 HydrophobicContact CZ-CG1 4.08Å; F895-I899 WeakPolarHBondContact O-CG1 3.23Å; F895-I899 PolarHBondContact O-N 3.2Å; I899-A901 VanDerWaalsContact C-N 3.3Å; I899-A901 PolarHBondContact O-N 3.38Å; I899-L902 HydrophobicContact CD1-CD1 4.29Å; I899-L902 PolarHBondContact O-N 3.2Å; I899-L903 HydrophobicContact CG2-CD1 4.08Å; I899-L903 HydrophobicContact CG2-CG 4.46Å; I899-L903 VanDerWaalsContact O-CG 3.29Å; I899-L903 WeakPolarHBondContact O-CG 3.41Å; I899-L903 PolarHBondContact O-N 3.02Å; I899-F1079 HydrophobicContact CG2-CE1 4.34Å; I899-F1079 HydrophobicContact CG2-CZ 3.85Å
900	L	97.9	Very high	95.9	Very high	4 Å²	4	14.7 Å²	14.7	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-62	-38.7	173.6	-177.7	60.3	0	0	0	112.2	P896 L897 L903 K904 Y1076 F1079	P896-L900 WeakPolarHBondContact O-CB 3.48Å; P896-L900 PolarHBondContact O-N 3.19Å; L897-L900 PolarHBondContact O-N 3.32Å; L900-L903 PolarHBondContact O-N 3.32Å; L900-K904 HydrophobicContact CD1-CD 4.43Å; L900-K904 HydrophobicContact CG-CD 4.48Å; L900-K904 PolarHBondContact O-N 3.45Å; L900-K904 VanDerWaalsContact O-N 3.11Å; L900-Y1076 VanDerWaalsContact CD2-CA 3.48Å; L900-Y1076 HydrophobicContact CD2-CD2 4.05Å; L900-F1079 HydrophobicContact CB-CD1 3.94Å; L900-F1079 HydrophobicContact CB-CE1 4.19Å; L900-F1079 HydrophobicContact CB-CG 4.39Å; L900-F1079 HydrophobicContact CD1-CB 4.29Å; L900-F1079 HydrophobicContact CD1-CD2 4.42Å; L900-F1079 HydrophobicContact CD1-CG 4.19Å; L900-F1079 HydrophobicContact CD2-CB 4.15Å
901	A	97.6	Very high	95.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-57.5	-50.7	173.7	0	0	0	0	0	111.2	L897 Y898 I899 L903 K904 Q905 I938 I1066	L897-A901 WeakPolarHBondContact O-CB 3.5Å; L897-A901 PolarHBondContact O-N 2.78Å; Y898-A901 WeakPolarHBondContact O-CB 3.36Å; Y898-A901 PolarHBondContact O-N 3.06Å; I899-A901 VanDerWaalsContact C-N 3.3Å; I899-A901 PolarHBondContact O-N 3.38Å; A901-L903 VanDerWaalsContact C-N 3.34Å; A901-L903 PolarHBondContact O-N 3.48Å; A901-K904 CarbonylContact O-C 3.55Å; A901-K904 PolarHBondContact O-N 3.38Å; A901-K904 VanDerWaalsContact O-N 3.1Å; A901-Q905 PolarHBondContact O-N 3.35Å; A901-I938 HydrophobicContact CB-CG2 3.83Å; A901-I938 WeakPolarHBondContact CB-O 3.42Å; A901-I1066 HydrophobicContact CB-CD1 3.42Å; A901-I1066 VanDerWaalsContact CB-CD1 3.42Å
902	L	97.9	Very high	94.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.6	-44	174.2	-76.4	169.5	0	0	0	112.1	T840 A844 M863 Y898 I899 K904 Q905 F908 I938	T840-L902 HydrophobicContact CG2-CD1 3.75Å; T840-L902 HydrophobicContact CG2-CG 4.35Å; A844-L902 HydrophobicContact CB-CD1 4.35Å; A844-L902 HydrophobicContact CB-CD2 3.71Å; M863-L902 HydrophobicContact CE-CB 4.46Å; M863-L902 HydrophobicContact SD-CB 3.88Å; M863-L902 HydrophobicContact SD-CD1 3.89Å; M863-L902 HydrophobicContact SD-CG 4.39Å; Y898-L902 WeakPolarHBondContact O-CG 3.34Å; Y898-L902 PolarHBondContact O-N 3.12Å; I899-L902 HydrophobicContact CD1-CD1 4.29Å; I899-L902 PolarHBondContact O-N 3.2Å; L902-K904 PolarHBondContact O-N 3.4Å; L902-Q905 VanDerWaalsContact O-CB 3.31Å; L902-Q905 WeakPolarHBondContact O-CB 3.43Å; L902-Q905 PolarHBondContact O-N 3.05Å; L902-Q905 VanDerWaalsContact O-N 3.14Å; L902-F908 HydrophobicContact CB-CD2 4.5Å; L902-F908 HydrophobicContact CD2-CD2 4.38Å; L902-F908 HydrophobicContact CD2-CE2 4.05Å; L902-F908 WeakPolarHBondContact O-CD2 3.36Å; L902-I938 HydrophobicContact CD2-CD1 3.9Å; L902-I938 HydrophobicContact CD2-CG1 3.78Å; L902-I938 HydrophobicContact CD2-CG2 3.99Å; L902-I938 HydrophobicContact CG-CG2 3.87Å
903	L	96.4	Very high	94.6	Very high	10 Å²	10	20.1 Å²	20.1	5%	0.052	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-18.1	178.1	-68.2	170.8	0	0	0	114.1	R860 M863 I899 L900 A901 F1079	R860-L903 HydrophobicContact CB-CD2 3.62Å; R860-L903 HydrophobicContact CG-CD2 3.81Å; R860-L903 PolarHBondContact NH1-O 2.83Å; M863-L903 HydrophobicContact CE-CD2 4.13Å; I899-L903 HydrophobicContact CG2-CD1 4.08Å; I899-L903 HydrophobicContact CG2-CG 4.46Å; I899-L903 VanDerWaalsContact O-CG 3.29Å; I899-L903 WeakPolarHBondContact O-CG 3.41Å; I899-L903 PolarHBondContact O-N 3.02Å; L900-L903 PolarHBondContact O-N 3.32Å; A901-L903 VanDerWaalsContact C-N 3.34Å; A901-L903 PolarHBondContact O-N 3.48Å; L903-F1079 HydrophobicContact CD1-CE2 3.87Å; L903-F1079 HydrophobicContact CD1-CZ 4.11Å
904	K	95.9	Very high	94.4	Very high	19 Å²	19	17.4 Å²	17.4	8%	0.083	10%	0.103	C	C	.	.	H	α-helix	trans	-102.4	-12.6	173.8	-70.8	179.4	178.1	171.2	0	113.8	L900 A901 L902 R909 I1066 D1068 A1073 L1074	L900-K904 HydrophobicContact CD1-CD 4.43Å; L900-K904 HydrophobicContact CG-CD 4.48Å; L900-K904 PolarHBondContact O-N 3.45Å; L900-K904 VanDerWaalsContact O-N 3.11Å; A901-K904 CarbonylContact O-C 3.55Å; A901-K904 PolarHBondContact O-N 3.38Å; A901-K904 VanDerWaalsContact O-N 3.1Å; L902-K904 PolarHBondContact O-N 3.4Å; K904-R909 WeakPolarHBondContact O-CB 3.42Å; K904-I1066 HydrophobicContact CB-CG2 4.35Å; K904-I1066 HydrophobicContact CD-CB 4.22Å; K904-I1066 HydrophobicContact CD-CG2 4.43Å; K904-I1066 PolarHBondContact NZ-O 2.9Å; K904-D1068 PolarHBondContact NZ-O 3.14Å; K904-A1073 HydrophobicContact CG-CB 4.14Å; K904-L1074 VanDerWaalsContact CE-O 3.22Å; K904-L1074 WeakPolarHBondContact CE-O 3.45Å; K904-L1074 PolarHBondContact NZ-O 2.97Å
905	Q	95.4	Very high	94.3	Very high	27 Å²	27	21 Å²	21	13%	0.126	12%	0.117	C	C	.	.	S	Bend	trans	-62.8	145.5	179.1	-144.7	-80	-7.7	0	0	111.4	A901 L902 A907 F908 R909 M937	A901-Q905 PolarHBondContact O-N 3.35Å; L902-Q905 VanDerWaalsContact O-CB 3.31Å; L902-Q905 WeakPolarHBondContact O-CB 3.43Å; L902-Q905 PolarHBondContact O-N 3.05Å; L902-Q905 VanDerWaalsContact O-N 3.14Å; Q905-A907 PolarHBondContact O-N 3.37Å; Q905-F908 PolarHBondContact O-N 3.14Å; Q905-R909 WeakPolarHBondContact O-CB 3.35Å; Q905-R909 PolarHBondContact O-N 2.86Å; Q905-M937 WeakPolarHBondContact CG-O 3.4Å; Q905-M937 PolarHBondContact NE2-O 3.08Å
906	K	94.8	Very high	94.1	Very high	74 Å²	74	21.2 Å²	21.2	32%	0.322	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-34.9	-176.4	-73.7	-167.5	178.5	-171.2	0	114.4	E918 R919 A922	K906-E918 IonicContact NZ-OE2 3.63Å; K906-E918 PolarHBondContact NZ-OE2 3.14Å; K906-R919 PolarHBondContact O-NH1 2.85Å; K906-A922 HydrophobicContact CB-CB 3.87Å
907	A	96.1	Very high	94.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-45.7	175.8	0	0	0	0	0	112.3	Q905 R919 A922 M923 L926	Q905-A907 PolarHBondContact O-N 3.37Å; A907-R919 VanDerWaalsContact O-CG 3.31Å; A907-R919 WeakPolarHBondContact O-CG 3.29Å; A907-R919 PolarHBondContact O-NH1 2.88Å; A907-A922 HydrophobicContact CB-CB 4.08Å; A907-M923 HydrophobicContact CB-CG 3.73Å; A907-M923 WeakPolarHBondContact O-CE 3.38Å; A907-L926 HydrophobicContact CB-CD1 3.78Å
908	F	95.1	Very high	94	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-9.5	-167.2	-50.6	-61.7	0	0	0	115.5	A847 V848 L856 R860 M863 L902 Q905 L926	A847-F908 HydrophobicContact CB-CD1 4.49Å; A847-F908 HydrophobicContact CB-CE1 3.71Å; A847-F908 HydrophobicContact CB-CE2 4.21Å; A847-F908 HydrophobicContact CB-CZ 3.52Å; V848-F908 HydrophobicContact CG2-CE1 4.19Å; V848-F908 HydrophobicContact CG2-CZ 3.71Å; L856-F908 HydrophobicContact CD1-CB 4.15Å; L856-F908 HydrophobicContact CD1-CD1 3.99Å; R860-F908 WeakPolarHBondContact CD-O 3.41Å; R860-F908 PolarHBondContact NH1-O 2.92Å; M863-F908 HydrophobicContact CE-CB 4.18Å; M863-F908 HydrophobicContact CE-CD1 4.26Å; M863-F908 HydrophobicContact CE-CD2 3.85Å; M863-F908 HydrophobicContact CE-CE2 4.28Å; M863-F908 HydrophobicContact CE-CG 3.83Å; M863-F908 HydrophobicContact SD-CD2 4.4Å; M863-F908 HydrophobicContact SD-CE2 4.35Å; L902-F908 HydrophobicContact CB-CD2 4.5Å; L902-F908 HydrophobicContact CD2-CD2 4.38Å; L902-F908 HydrophobicContact CD2-CE2 4.05Å; L902-F908 WeakPolarHBondContact O-CD2 3.36Å; Q905-F908 PolarHBondContact O-N 3.14Å; F908-L926 HydrophobicContact CD2-CD1 4.47Å; F908-L926 HydrophobicContact CE2-CD1 3.62Å; F908-L926 HydrophobicContact CZ-CD1 4.07Å
909	R	92.1	Very high	93.9	Very high	22 Å²	22	23.1 Å²	23.1	8%	0.083	13%	0.127	C	C	.	.			trans	-65	146.1	-177.7	72.1	-174.9	-166.5	170.2	12.4	113.3	K904 Q905 S913 T914 R919	K904-R909 WeakPolarHBondContact O-CB 3.42Å; Q905-R909 WeakPolarHBondContact O-CB 3.35Å; Q905-R909 PolarHBondContact O-N 2.86Å; R909-S913 PolarHBondContact NH2-O 3.2Å; R909-T914 PolarHBondContact NE-OG1 3.41Å; R909-T914 PolarHBondContact NH2-OG1 3.25Å; R909-T914 VanDerWaalsContact NH2-OG1 3.08Å; R909-R919 PolarHBondContact O-NH1 3.09Å; R909-R919 PolarHBondContact O-NH2 3.17Å
910	T	87.9	Confident	93.9	Very high	35 Å²	35	23.3 Å²	23.3	22%	0.215	13%	0.128	C	C	.	.			trans	-125.2	155.6	-178.5	48	0	0	0	0	110.2	L856 T912 S1072	L856-T910 HydrophobicContact CD2-CG2 3.8Å; L856-T910 HydrophobicContact CG-CG2 4.4Å; T910-T912 PolarHBondContact O-N 3.1Å; T910-S1072 VanDerWaalsContact O-CB 3.28Å; T910-S1072 WeakPolarHBondContact O-CB 3.4Å; T910-S1072 PolarHBondContact O-OG 2.76Å
911	G	82	Confident	93.9	Very high	42 Å²	42	24 Å²	24	43%	0.433	13%	0.131	S	C	.	.	S	Bend	trans	72.3	-18.3	178.8	0	0	0	0	0	116.4	A654	A654-G911 WeakPolarHBondContact O-CA 3.26Å
912	T	86.1	Confident	93.9	Very high	39 Å²	39	24.4 Å²	24.4	24%	0.239	13%	0.134	C	C	.	.	S	Bend	trans	-95.4	124	167.5	-51	0	0	0	0	110	T910 T914	T910-T912 PolarHBondContact O-N 3.1Å; T912-T914 PolarHBondContact O-N 3.11Å; T912-T914 PolarHBondContact O-OG1 2.94Å
913	S	88.7	Confident	93.9	Very high	67 Å²	67	24.7 Å²	24.7	47%	0.469	14%	0.135	S	C	.	.			trans	-51.4	128.6	176.2	-167.5	0	0	0	0	111.3	R909	R909-S913 PolarHBondContact NH2-O 3.2Å
914	T	91.6	Very high	93.9	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.043	14%	0.137	C	C	.	.			trans	-146.8	124	-175	-52.2	0	0	0	0	108.3	R909 T912 R919	R909-T914 PolarHBondContact NE-OG1 3.41Å; R909-T914 PolarHBondContact NH2-OG1 3.25Å; R909-T914 VanDerWaalsContact NH2-OG1 3.08Å; T912-T914 PolarHBondContact O-N 3.11Å; T912-T914 PolarHBondContact O-OG1 2.94Å; T914-R919 HydrophobicContact CG2-CB 4.21Å
915	R	93.9	Very high	94	Very high	80 Å²	80	25 Å²	25	30%	0.302	14%	0.136	S	C	.	.			trans	-61.8	140.9	175.4	-61.9	-178.6	177.5	-152.3	-2.1	110	A690 D917 E918 R919	A690-R915 PolarHBondContact O-NH1 3.25Å; R915-D917 VanDerWaalsContact C-N 3.32Å; R915-D917 PolarHBondContact O-N 2.87Å; R915-E918 HydrophobicContact CB-CB 4.29Å; R915-E918 HydrophobicContact CB-CG 4.19Å; R915-E918 WeakPolarHBondContact CD-OE1 3.41Å; R915-E918 PolarHBondContact O-N 3.3Å; R915-R919 PolarHBondContact O-N 3.26Å; R915-R919 VanDerWaalsContact O-N 3.08Å
916	L	94.8	Very high	94.1	Very high	6 Å²	6	24 Å²	24	3%	0.031	13%	0.132	C	C	.	.	H	α-helix	trans	-57.4	-45	-178.9	-178.2	55.8	0	0	0	111.6	E648 V659 H661 L662 Y692 E918 R919 V920	E648-L916 HydrophobicContact CG-CB 4.1Å; E648-L916 WeakPolarHBondContact OE1-CB 3.47Å; E648-L916 PolarHBondContact OE1-N 2.98Å; V659-L916 HydrophobicContact CG1-CD1 3.88Å; H661-L916 HydrophobicContact CB-CD2 3.85Å; L662-L916 HydrophobicContact CD2-CD1 3.89Å; L662-L916 HydrophobicContact CG-CD1 4.46Å; Y692-L916 HydrophobicContact CE2-CB 4.2Å; Y692-L916 HydrophobicContact CE2-CD2 3.87Å; Y692-L916 HydrophobicContact CE2-CG 4.3Å; L916-E918 PolarHBondContact O-N 2.86Å; L916-R919 WeakPolarHBondContact O-CB 3.44Å; L916-R919 PolarHBondContact O-N 2.97Å; L916-R919 VanDerWaalsContact O-N 3.14Å; L916-V920 HydrophobicContact CD1-CG2 4.13Å; L916-V920 HydrophobicContact CG-CG2 4.42Å; L916-V920 VanDerWaalsContact O-CG2 3.32Å; L916-V920 WeakPolarHBondContact O-CG2 3.31Å; L916-V920 PolarHBondContact O-N 3.44Å
917	D	97.1	Very high	94.1	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-65.1	-35.9	179.4	-63.1	-27.8	0	0	0	112.8	Y692 C693 D694 L695 R915 F921	Y692-D917 WeakPolarHBondContact CA-OD2 3.45Å; Y692-D917 VanDerWaalsContact CD2-OD2 3.29Å; Y692-D917 WeakPolarHBondContact CD2-OD2 3.18Å; Y692-D917 WeakPolarHBondContact CE2-OD1 3.34Å; C693-D917 PolarHBondContact N-OD2 2.92Å; D694-D917 PolarHBondContact N-OD1 2.95Å; L695-D917 HydrophobicContact CB-CB 4.05Å; L695-D917 WeakPolarHBondContact CB-OD1 3.18Å; L695-D917 PolarHBondContact N-OD1 3.27Å; R915-D917 VanDerWaalsContact C-N 3.32Å; R915-D917 PolarHBondContact O-N 2.87Å; D917-F921 VanDerWaalsContact O-CB 3.22Å; D917-F921 WeakPolarHBondContact O-CB 3.4Å; D917-F921 PolarHBondContact O-N 3.41Å
918	E	95.8	Very high	94.1	Very high	42 Å²	42	21.6 Å²	21.6	20%	0.196	12%	0.121	C	C	.	.	H	α-helix	trans	-65.6	-38.6	172.8	-75.6	-175.3	-113.9	0	0	112.3	Y711 K906 R915 L916 A922	Y711-E918 HydrophobicContact CE1-CG 4.04Å; K906-E918 IonicContact NZ-OE2 3.63Å; K906-E918 PolarHBondContact NZ-OE2 3.14Å; R915-E918 HydrophobicContact CB-CB 4.29Å; R915-E918 HydrophobicContact CB-CG 4.19Å; R915-E918 WeakPolarHBondContact CD-OE1 3.41Å; R915-E918 PolarHBondContact O-N 3.3Å; L916-E918 PolarHBondContact O-N 2.86Å; E918-A922 WeakPolarHBondContact O-CB 3.48Å; E918-A922 PolarHBondContact O-N 3.32Å
919	R	96.7	Very high	94.1	Very high	9 Å²	9	22.6 Å²	22.6	3%	0.034	13%	0.126	C	C	.	.	H	α-helix	trans	-66.9	-46.5	177	-175.5	-177.5	-63.6	-87.4	6.8	111	K906 A907 R909 T914 R915 L916 A922 M923	K906-R919 PolarHBondContact O-NH1 2.85Å; A907-R919 VanDerWaalsContact O-CG 3.31Å; A907-R919 WeakPolarHBondContact O-CG 3.29Å; A907-R919 PolarHBondContact O-NH1 2.88Å; R909-R919 PolarHBondContact O-NH1 3.09Å; R909-R919 PolarHBondContact O-NH2 3.17Å; T914-R919 HydrophobicContact CG2-CB 4.21Å; R915-R919 PolarHBondContact O-N 3.26Å; R915-R919 VanDerWaalsContact O-N 3.08Å; L916-R919 WeakPolarHBondContact O-CB 3.44Å; L916-R919 PolarHBondContact O-N 2.97Å; L916-R919 VanDerWaalsContact O-N 3.14Å; R919-A922 PolarHBondContact O-N 3.25Å; R919-M923 HydrophobicContact CG-CE 4.16Å; R919-M923 WeakPolarHBondContact O-CG 3.39Å; R919-M923 PolarHBondContact O-N 3.28Å
920	V	97.6	Very high	94.3	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.024	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-43	177.5	172.8	0	0	0	0	110.9	L662 L695 A696 L916 A922 M923 Y924	L662-V920 HydrophobicContact CD2-CG2 4.15Å; L695-V920 HydrophobicContact CB-CG1 4.27Å; L695-V920 HydrophobicContact CD2-CG1 4.45Å; L695-V920 HydrophobicContact CG-CG1 4.06Å; A696-V920 HydrophobicContact CB-CG1 4.49Å; A696-V920 HydrophobicContact CB-CG2 3.97Å; L916-V920 HydrophobicContact CD1-CG2 4.13Å; L916-V920 HydrophobicContact CG-CG2 4.42Å; L916-V920 VanDerWaalsContact O-CG2 3.32Å; L916-V920 WeakPolarHBondContact O-CG2 3.31Å; L916-V920 PolarHBondContact O-N 3.44Å; V920-A922 VanDerWaalsContact C-N 3.34Å; V920-A922 PolarHBondContact O-N 2.95Å; V920-M923 WeakPolarHBondContact O-CB 3.4Å; V920-M923 PolarHBondContact O-N 2.83Å; V920-M923 VanDerWaalsContact O-N 3.16Å; V920-Y924 HydrophobicContact CG1-CD1 4.42Å; V920-Y924 HydrophobicContact CG1-CD2 4.07Å; V920-Y924 HydrophobicContact CG1-CE1 3.92Å; V920-Y924 HydrophobicContact CG1-CE2 3.52Å; V920-Y924 HydrophobicContact CG1-CG 4.49Å; V920-Y924 VanDerWaalsContact CG1-CZ 3.46Å; V920-Y924 PolarHBondContact O-N 2.81Å
921	F	98.1	Very high	94.8	Very high	19 Å²	19	21.2 Å²	21.2	8%	0.083	12%	0.119	C	C	.	.	H	α-helix	trans	-61.2	-42.4	175.2	-177.2	-116.4	0	0	0	111.7	L695 V709 Y711 D917 M923 Y924 Q925 L986	L695-F921 HydrophobicContact CD2-CB 3.79Å; L695-F921 HydrophobicContact CD2-CD2 4.41Å; V709-F921 HydrophobicContact CG1-CD2 4.19Å; V709-F921 HydrophobicContact CG1-CE2 4.42Å; Y711-F921 HydrophobicContact CD1-CB 3.96Å; Y711-F921 AromaticContact CD1-CD1 3.9Å; Y711-F921 HydrophobicContact CD1-CD1 3.9Å; Y711-F921 AromaticContact CD1-CG 3.89Å; Y711-F921 HydrophobicContact CD1-CG 3.89Å; Y711-F921 HydrophobicContact CG-CD1 4.48Å; Y711-F921 HydrophobicContact CG-CG 4.27Å; D917-F921 VanDerWaalsContact O-CB 3.22Å; D917-F921 WeakPolarHBondContact O-CB 3.4Å; D917-F921 PolarHBondContact O-N 3.41Å; F921-M923 VanDerWaalsContact C-N 3.35Å; F921-M923 PolarHBondContact O-N 2.87Å; F921-Y924 PolarHBondContact O-N 2.97Å; F921-Q925 HydrophobicContact CD1-CG 4.41Å; F921-Q925 HydrophobicContact CD2-CG 4.48Å; F921-Q925 HydrophobicContact CE1-CG 4.06Å; F921-Q925 HydrophobicContact CE2-CG 4.12Å; F921-Q925 HydrophobicContact CZ-CG 3.89Å; F921-Q925 VanDerWaalsContact O-CG 3.32Å; F921-Q925 WeakPolarHBondContact O-CG 3.43Å; F921-Q925 PolarHBondContact O-N 3.32Å; F921-L986 HydrophobicContact CE1-CD1 3.65Å; F921-L986 HydrophobicContact CZ-CD1 4.21Å
922	A	97.8	Very high	95.4	Very high	9 Å²	9	22.5 Å²	22.5	7%	0.074	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-40.5	173.3	0	0	0	0	0	112.4	K906 A907 E918 R919 V920 Q925 L926	K906-A922 HydrophobicContact CB-CB 3.87Å; A907-A922 HydrophobicContact CB-CB 4.08Å; E918-A922 WeakPolarHBondContact O-CB 3.48Å; E918-A922 PolarHBondContact O-N 3.32Å; R919-A922 PolarHBondContact O-N 3.25Å; V920-A922 VanDerWaalsContact C-N 3.34Å; V920-A922 PolarHBondContact O-N 2.95Å; A922-Q925 PolarHBondContact O-N 3Å; A922-L926 WeakPolarHBondContact O-CG 3.29Å; A922-L926 PolarHBondContact O-N 2.9Å
923	M	98.2	Very high	95.8	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.025	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-43.4	173.2	-72.7	-179.3	174.6	0	0	112.4	L662 V848 A907 R919 V920 F921 L926 K927	L662-M923 HydrophobicContact CD1-CE 4.13Å; L662-M923 HydrophobicContact CD2-CE 4.02Å; L662-M923 HydrophobicContact CD2-SD 4.02Å; V848-M923 HydrophobicContact CG1-CB 3.81Å; V848-M923 HydrophobicContact CG1-CG 4.22Å; V848-M923 HydrophobicContact CG2-CB 3.95Å; V848-M923 HydrophobicContact CG2-CG 4.04Å; A907-M923 HydrophobicContact CB-CG 3.73Å; A907-M923 WeakPolarHBondContact O-CE 3.38Å; R919-M923 HydrophobicContact CG-CE 4.16Å; R919-M923 WeakPolarHBondContact O-CG 3.39Å; R919-M923 PolarHBondContact O-N 3.28Å; V920-M923 WeakPolarHBondContact O-CB 3.4Å; V920-M923 PolarHBondContact O-N 2.83Å; V920-M923 VanDerWaalsContact O-N 3.16Å; F921-M923 VanDerWaalsContact C-N 3.35Å; F921-M923 PolarHBondContact O-N 2.87Å; M923-L926 PolarHBondContact O-N 3.42Å; M923-K927 VanDerWaalsContact O-CG 3.28Å; M923-K927 WeakPolarHBondContact O-CG 3.3Å; M923-K927 PolarHBondContact O-N 3.21Å
924	Y	97	Very high	96.2	Very high	21 Å²	21	19.2 Å²	19.2	8%	0.082	10%	0.1	C	C	.	.	H	α-helix	trans	-65.7	-40.2	176.1	-65.8	-17.6	0	0	0	112.2	L695 A696 V709 V920 F921 L926 K927 Y928	L695-Y924 HydrophobicContact CD1-CE2 4.36Å; L695-Y924 HydrophobicContact CG-CE2 4.03Å; L695-Y924 PolarHBondContact O-OH 2.87Å; L695-Y924 VanDerWaalsContact O-OH 3.09Å; A696-Y924 PolarHBondContact O-OH 3.07Å; V709-Y924 HydrophobicContact CB-CD2 4.35Å; V709-Y924 HydrophobicContact CG1-CD2 4.28Å; V709-Y924 HydrophobicContact CG2-CD2 4.13Å; V709-Y924 HydrophobicContact CG2-CE2 4.41Å; V920-Y924 HydrophobicContact CG1-CD1 4.42Å; V920-Y924 HydrophobicContact CG1-CD2 4.07Å; V920-Y924 HydrophobicContact CG1-CE1 3.92Å; V920-Y924 HydrophobicContact CG1-CE2 3.52Å; V920-Y924 HydrophobicContact CG1-CG 4.49Å; V920-Y924 VanDerWaalsContact CG1-CZ 3.46Å; V920-Y924 PolarHBondContact O-N 2.81Å; F921-Y924 PolarHBondContact O-N 2.97Å; Y924-L926 PolarHBondContact O-N 2.95Å; Y924-K927 WeakPolarHBondContact O-CB 3.25Å; Y924-K927 PolarHBondContact O-N 2.8Å; Y924-K927 VanDerWaalsContact O-N 3.08Å; Y924-Y928 VanDerWaalsContact O-CB 3.28Å; Y924-Y928 WeakPolarHBondContact O-CB 3.49Å; Y924-Y928 PolarHBondContact O-N 3.25Å
925	Q	97.1	Very high	96.4	Very high	15 Å²	15	19.3 Å²	19.3	7%	0.07	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-44.4	175.1	-73.4	-71.7	91.7	0	0	111.8	F921 A922 K927 Y928 Q929 M937 L986	F921-Q925 HydrophobicContact CD1-CG 4.41Å; F921-Q925 HydrophobicContact CD2-CG 4.48Å; F921-Q925 HydrophobicContact CE1-CG 4.06Å; F921-Q925 HydrophobicContact CE2-CG 4.12Å; F921-Q925 HydrophobicContact CZ-CG 3.89Å; F921-Q925 VanDerWaalsContact O-CG 3.32Å; F921-Q925 WeakPolarHBondContact O-CG 3.43Å; F921-Q925 PolarHBondContact O-N 3.32Å; A922-Q925 PolarHBondContact O-N 3Å; Q925-K927 PolarHBondContact O-N 3.37Å; Q925-Y928 PolarHBondContact O-N 3.04Å; Q925-Q929 HydrophobicContact CB-CG 4.25Å; Q925-Q929 VanDerWaalsContact O-CB 3.24Å; Q925-Q929 WeakPolarHBondContact O-CB 3.45Å; Q925-Q929 WeakPolarHBondContact O-CG 3.39Å; Q925-Q929 PolarHBondContact O-N 3.16Å; Q925-M937 HydrophobicContact CB-SD 4.12Å; Q925-M937 HydrophobicContact CG-SD 4.46Å; Q925-L986 HydrophobicContact CG-CD1 4.4Å
926	L	97.3	Very high	96.4	Very high	6 Å²	6	17 Å²	17	3%	0.031	9%	0.094	C	C	.	.	H	α-helix	trans	-64	-22.5	175.1	-68.2	173	0	0	0	113.8	A844 C845 V848 A907 F908 A922 M923 Y924 I938	A844-L926 HydrophobicContact CB-CD2 4.27Å; C845-L926 PolarHBondContact SG-O 2.91Å; C845-L926 VanDerWaalsContact SG-O 3.34Å; V848-L926 HydrophobicContact CG2-CB 4.15Å; V848-L926 HydrophobicContact CG2-CD1 4.35Å; A907-L926 HydrophobicContact CB-CD1 3.78Å; F908-L926 HydrophobicContact CD2-CD1 4.47Å; F908-L926 HydrophobicContact CE2-CD1 3.62Å; F908-L926 HydrophobicContact CZ-CD1 4.07Å; A922-L926 WeakPolarHBondContact O-CG 3.29Å; A922-L926 PolarHBondContact O-N 2.9Å; M923-L926 PolarHBondContact O-N 3.42Å; Y924-L926 PolarHBondContact O-N 2.95Å; L926-I938 HydrophobicContact CD2-CD1 3.86Å; L926-I938 HydrophobicContact CD2-CG1 3.64Å
927	K	95.8	Very high	96.4	Very high	7 Å²	7	17.6 Å²	17.6	3%	0.03	10%	0.097	C	C	.	.	H	α-helix	trans	-89.1	-28.4	177.2	-70.2	-76.5	-61.6	-162.7	0	113.8	H759 G760 C845 V848 D849 M923 Y924 Q925	H759-K927 HydrophobicContact CB-CD 4.38Å; H759-K927 VanDerWaalsContact CB-NZ 3.3Å; H759-K927 PolarHBondContact ND1-NZ 2.96Å; G760-K927 WeakPolarHBondContact CA-O 3.2Å; C845-K927 HydrophobicContact CB-CD 4.3Å; V848-K927 HydrophobicContact CB-CD 4.01Å; V848-K927 HydrophobicContact CB-CG 4.04Å; V848-K927 HydrophobicContact CG1-CD 3.91Å; V848-K927 HydrophobicContact CG1-CG 3.66Å; V848-K927 HydrophobicContact CG2-CG 4.26Å; D849-K927 IonicContact OD1-NZ 3.17Å; D849-K927 PolarHBondContact OD1-NZ 3.32Å; D849-K927 IonicContact OD2-NZ 3.1Å; D849-K927 PolarHBondContact OD2-NZ 3.18Å; M923-K927 VanDerWaalsContact O-CG 3.28Å; M923-K927 WeakPolarHBondContact O-CG 3.3Å; M923-K927 PolarHBondContact O-N 3.21Å; Y924-K927 WeakPolarHBondContact O-CB 3.25Å; Y924-K927 PolarHBondContact O-N 2.8Å; Y924-K927 VanDerWaalsContact O-N 3.08Å; Q925-K927 PolarHBondContact O-N 3.37Å
928	Y	94.8	Very high	96.4	Very high	17 Å²	17	17.7 Å²	17.7	7%	0.067	10%	0.097	C	C	.	.	H	α-helix	trans	-108	-27.9	-168.7	176.1	-87.2	0	0	0	113.8	N761 N776 A779 G780 Y924 Q925	N761-Y928 HydrophobicContact CB-CD2 4.24Å; N776-Y928 PolarHBondContact ND2-OH 3.43Å; N776-Y928 PolarHBondContact OD1-OH 3.12Å; A779-Y928 HydrophobicContact CB-CE2 3.79Å; G780-Y928 WeakPolarHBondContact CA-O 3.41Å; G780-Y928 PolarHBondContact N-O 3.43Å; Y924-Y928 VanDerWaalsContact O-CB 3.28Å; Y924-Y928 WeakPolarHBondContact O-CB 3.49Å; Y924-Y928 PolarHBondContact O-N 3.25Å; Q925-Y928 PolarHBondContact O-N 3.04Å
929	Q	96.1	Very high	96.5	Very high	21 Å²	21	16.5 Å²	16.5	10%	0.098	9%	0.092	C	C	.	.	S	Bend	trans	-76.9	136.5	-173.3	-68	-66.8	-31.9	0	0	112.2	Q925 F933 A934 M937	Q925-Q929 HydrophobicContact CB-CG 4.25Å; Q925-Q929 VanDerWaalsContact O-CB 3.24Å; Q925-Q929 WeakPolarHBondContact O-CB 3.45Å; Q925-Q929 WeakPolarHBondContact O-CG 3.39Å; Q925-Q929 PolarHBondContact O-N 3.16Å; Q929-F933 HydrophobicContact CB-CB 4.4Å; Q929-A934 HydrophobicContact CB-CB 4.21Å; Q929-M937 HydrophobicContact CG-CE 3.95Å; Q929-M937 HydrophobicContact CG-SD 4.28Å
930	P	97	Very high	96.4	Very high	6 Å²	6	16.2 Å²	16.2	4%	0.039	9%	0.091	C	C	.	.			trans	-50.8	145.6	164.5	-27.9	34.6	0	0	0	112.4	H407 D778 A932 F933 A934	H407-P930 HydrophobicContact CB-CB 4.27Å; H407-P930 HydrophobicContact CB-CG 4.47Å; D778-P930 VanDerWaalsContact O-CD 3.29Å; D778-P930 WeakPolarHBondContact O-CD 3.39Å; P930-A932 VanDerWaalsContact C-N 3.28Å; P930-A932 PolarHBondContact O-N 2.67Å; P930-A932 VanDerWaalsContact O-N 3.07Å; P930-F933 HydrophobicContact CB-CD2 4.06Å; P930-F933 HydrophobicContact CB-CE2 4.37Å; P930-F933 HydrophobicContact CG-CD2 4.07Å; P930-F933 HydrophobicContact CG-CE2 4.29Å; P930-F933 PolarHBondContact O-N 3.3Å; P930-A934 PolarHBondContact O-N 3.05Å
931	L	96.9	Very high	96.3	Very high	21 Å²	21	16.5 Å²	16.5	11%	0.11	9%	0.094	C	C	.	.	H	α-helix	trans	-51.3	-41	-168.7	175.7	61	0	0	0	114.1	L405 Q837 A838 F933 A934 M935	L405-L931 HydrophobicContact CD2-CB 4.1Å; L405-L931 HydrophobicContact CD2-CD1 3.94Å; L405-L931 HydrophobicContact CD2-CD2 4.27Å; L405-L931 HydrophobicContact CD2-CG 4.31Å; Q837-L931 HydrophobicContact CB-CD1 4.42Å; Q837-L931 HydrophobicContact CB-CD2 4.18Å; Q837-L931 WeakPolarHBondContact O-CD1 3.41Å; A838-L931 HydrophobicContact CB-CD2 4.21Å; L931-F933 VanDerWaalsContact C-N 3.32Å; L931-F933 PolarHBondContact O-N 2.75Å; L931-A934 PolarHBondContact O-N 3.09Å; L931-M935 HydrophobicContact CD1-CG 3.75Å; L931-M935 HydrophobicContact CD1-SD 4.17Å; L931-M935 HydrophobicContact CG-CG 4.28Å; L931-M935 WeakPolarHBondContact O-CB 3.34Å; L931-M935 WeakPolarHBondContact O-CG 3.43Å; L931-M935 PolarHBondContact O-N 3.44Å
932	A	94.2	Very high	96.3	Very high	70 Å²	70	15.6 Å²	15.6	58%	0.579	9%	0.09	S	C	*	.	H	α-helix	trans	-59.3	-42.2	179.1	0	0	0	0	0	112.5	P930 L936	P930-A932 VanDerWaalsContact C-N 3.28Å; P930-A932 PolarHBondContact O-N 2.67Å; P930-A932 VanDerWaalsContact O-N 3.07Å; A932-L936 PolarHBondContact O-N 3.41Å
933	F	95.2	Very high	96.2	Very high	31 Å²	31	16.3 Å²	16.3	14%	0.136	9%	0.091	C	C	.	.	H	α-helix	trans	-79.4	-34.8	179.3	-50.8	-37.4	0	0	0	111.8	Q929 P930 L931 L936 M937 Q1041 R1042 P1043 F1044	Q929-F933 HydrophobicContact CB-CB 4.4Å; P930-F933 HydrophobicContact CB-CD2 4.06Å; P930-F933 HydrophobicContact CB-CE2 4.37Å; P930-F933 HydrophobicContact CG-CD2 4.07Å; P930-F933 HydrophobicContact CG-CE2 4.29Å; P930-F933 PolarHBondContact O-N 3.3Å; L931-F933 VanDerWaalsContact C-N 3.32Å; L931-F933 PolarHBondContact O-N 2.75Å; F933-L936 PolarHBondContact O-N 2.91Å; F933-M937 HydrophobicContact CB-CE 4.38Å; F933-M937 WeakPolarHBondContact O-CG 3.33Å; F933-M937 PolarHBondContact O-N 3.18Å; F933-Q1041 WeakPolarHBondContact CE1-O 3.42Å; F933-R1042 HydrophobicContact CD1-CB 4.01Å; F933-R1042 HydrophobicContact CE1-CB 3.53Å; F933-R1042 HydrophobicContact CZ-CB 3.94Å; F933-P1043 VanDerWaalsContact CE2-CD 3.5Å; F933-P1043 HydrophobicContact CE2-CG 4.11Å; F933-F1044 HydrophobicContact CB-CE1 3.96Å; F933-F1044 HydrophobicContact CB-CZ 3.98Å; F933-F1044 HydrophobicContact CD1-CZ 4.47Å; F933-F1044 AromaticContact CD2-CE1 4Å; F933-F1044 HydrophobicContact CD2-CE1 4Å; F933-F1044 AromaticContact CG-CE1 3.91Å; F933-F1044 HydrophobicContact CG-CE1 3.91Å; F933-F1044 HydrophobicContact CG-CZ 4.13Å
934	A	96.3	Very high	96.1	Very high	5 Å²	5	19.5 Å²	19.5	4%	0.041	10%	0.103	C	C	.	.	H	α-helix	trans	-61	-45.3	172	0	0	0	0	0	111.4	Q929 P930 L931 L936 M937 I938	Q929-A934 HydrophobicContact CB-CB 4.21Å; P930-A934 PolarHBondContact O-N 3.05Å; L931-A934 PolarHBondContact O-N 3.09Å; A934-L936 VanDerWaalsContact C-N 3.34Å; A934-L936 PolarHBondContact O-N 2.81Å; A934-M937 CarbonylContact O-C 3.53Å; A934-M937 PolarHBondContact O-N 3.26Å; A934-M937 VanDerWaalsContact O-N 3.08Å; A934-I938 WeakPolarHBondContact O-CD1 3.22Å; A934-I938 VanDerWaalsContact O-CG1 3.27Å; A934-I938 WeakPolarHBondContact O-CG1 3.44Å; A934-I938 PolarHBondContact O-N 2.82Å; A934-I938 VanDerWaalsContact O-N 3.08Å
935	M	96.5	Very high	96.1	Very high	10 Å²	10	18.7 Å²	18.7	5%	0.049	10%	0.1	C	C	.	.	H	α-helix	trans	-59.9	-41.1	176.3	-75	-53.8	-49.6	0	0	112.3	Q837 T840 Y898 L931 M937 I938 H939	Q837-M935 HydrophobicContact CB-CG 4.1Å; Q837-M935 HydrophobicContact CB-SD 4.11Å; Q837-M935 HydrophobicContact CG-CE 4.38Å; Q837-M935 HydrophobicContact CG-CG 4.15Å; Q837-M935 HydrophobicContact CG-SD 4.29Å; T840-M935 HydrophobicContact CG2-CE 4.33Å; T840-M935 HydrophobicContact CG2-SD 4.03Å; Y898-M935 HydrophobicContact CD1-CE 4Å; Y898-M935 HydrophobicContact CD2-CE 3.7Å; Y898-M935 HydrophobicContact CE1-CE 3.82Å; Y898-M935 HydrophobicContact CE2-CE 3.51Å; Y898-M935 HydrophobicContact CG-CE 3.95Å; L931-M935 HydrophobicContact CD1-CG 3.75Å; L931-M935 HydrophobicContact CD1-SD 4.17Å; L931-M935 HydrophobicContact CG-CG 4.28Å; L931-M935 WeakPolarHBondContact O-CB 3.34Å; L931-M935 WeakPolarHBondContact O-CG 3.43Å; L931-M935 PolarHBondContact O-N 3.44Å; M935-M937 PolarHBondContact O-N 2.83Å; M935-I938 PolarHBondContact O-N 3Å; M935-I938 HydrophobicContact SD-CD1 4.31Å; M935-H939 CarbonylContact O-C 3.57Å; M935-H939 PolarHBondContact O-N 3.38Å
936	L	94.6	Very high	95.9	Very high	31 Å²	31	19.7 Å²	19.7	16%	0.162	11%	0.106	C	C	.	.	H	α-helix	trans	-65.9	-23.4	176.5	-172	62	0	0	0	113.3	A932 F933 A934 A941 D983	A932-L936 PolarHBondContact O-N 3.41Å; F933-L936 PolarHBondContact O-N 2.91Å; A934-L936 VanDerWaalsContact C-N 3.34Å; A934-L936 PolarHBondContact O-N 2.81Å; L936-A941 HydrophobicContact CD1-CB 4.09Å; L936-D983 WeakPolarHBondContact CD1-O 3.34Å
937	M	95.3	Very high	95.6	Very high	18 Å²	18	23.5 Å²	23.5	9%	0.089	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.7	172.9	-62.6	179.2	-150.3	0	0	113.8	Q905 Q925 Q929 F933 A934 M935 L986 F1044	Q905-M937 WeakPolarHBondContact CG-O 3.4Å; Q905-M937 PolarHBondContact NE2-O 3.08Å; Q925-M937 HydrophobicContact CB-SD 4.12Å; Q925-M937 HydrophobicContact CG-SD 4.46Å; Q929-M937 HydrophobicContact CG-CE 3.95Å; Q929-M937 HydrophobicContact CG-SD 4.28Å; F933-M937 HydrophobicContact CB-CE 4.38Å; F933-M937 WeakPolarHBondContact O-CG 3.33Å; F933-M937 PolarHBondContact O-N 3.18Å; A934-M937 CarbonylContact O-C 3.53Å; A934-M937 PolarHBondContact O-N 3.26Å; A934-M937 VanDerWaalsContact O-N 3.08Å; M935-M937 PolarHBondContact O-N 2.83Å; M937-L986 HydrophobicContact CE-CD2 3.95Å; M937-L986 HydrophobicContact CE-CG 3.94Å; M937-L986 HydrophobicContact SD-CD1 4.28Å; M937-L986 HydrophobicContact SD-CG 4.04Å; M937-F1044 HydrophobicContact CE-CE1 3.96Å; M937-F1044 HydrophobicContact CE-CE2 3.96Å; M937-F1044 HydrophobicContact CE-CZ 3.41Å; M937-F1044 VanDerWaalsContact CE-CZ 3.41Å
938	I	96.9	Very high	95.6	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-55.2	174.5	-68.2	163.2	0	0	0	109.1	T840 A844 A901 L902 L926 A934 M935	T840-I938 HydrophobicContact CG2-CD1 4.16Å; T840-I938 HydrophobicContact CG2-CG2 4.29Å; A844-I938 HydrophobicContact CB-CD1 4.39Å; A901-I938 HydrophobicContact CB-CG2 3.83Å; A901-I938 WeakPolarHBondContact CB-O 3.42Å; L902-I938 HydrophobicContact CD2-CD1 3.9Å; L902-I938 HydrophobicContact CD2-CG1 3.78Å; L902-I938 HydrophobicContact CD2-CG2 3.99Å; L902-I938 HydrophobicContact CG-CG2 3.87Å; L926-I938 HydrophobicContact CD2-CD1 3.86Å; L926-I938 HydrophobicContact CD2-CG1 3.64Å; A934-I938 WeakPolarHBondContact O-CD1 3.22Å; A934-I938 VanDerWaalsContact O-CG1 3.27Å; A934-I938 WeakPolarHBondContact O-CG1 3.44Å; A934-I938 PolarHBondContact O-N 2.82Å; A934-I938 VanDerWaalsContact O-N 3.08Å; M935-I938 PolarHBondContact O-N 3Å; M935-I938 HydrophobicContact SD-CD1 4.31Å
939	H	96.4	Very high	95.4	Very high	17 Å²	17	26.1 Å²	26.1	8%	0.079	15%	0.146	C	C	.	.	S	Bend	trans	-122.2	94.7	176.2	-174.3	-54.7	0	0	0	108.4	Y898 M935 L969	Y898-H939 HydrophobicContact CD1-CB 4.05Å; Y898-H939 AromaticContact CD1-CD2 3.82Å; Y898-H939 HydrophobicContact CE1-CB 3.91Å; Y898-H939 AromaticContact CE1-CD2 3.64Å; Y898-H939 AromaticContact CE1-CG 3.9Å; M935-H939 CarbonylContact O-C 3.57Å; M935-H939 PolarHBondContact O-N 3.38Å; H939-L969 VanDerWaalsContact CE1-CD1 3.47Å; H939-L969 WeakPolarHBondContact CE1-CD1 3.46Å; H939-L969 WeakPolarHBondContact ND1-CD1 3.47Å
940	P	96	Very high	95.2	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.026	16%	0.16	C	C	.	.			trans	-48.8	163.1	171.3	-33.1	39.5	0	0	0	114.4	L969 L982 D983 A984 N1064	P940-L969 HydrophobicContact CB-CD1 4.17Å; P940-L969 HydrophobicContact CB-CD2 4.31Å; P940-L969 HydrophobicContact CG-CD1 4.44Å; P940-L969 WeakPolarHBondContact O-CD1 3.37Å; P940-L982 HydrophobicContact CB-CD1 3.57Å; P940-L982 HydrophobicContact CB-CG 4.35Å; P940-D983 CarbonylContact C-O 3.59Å; P940-D983 VanDerWaalsContact CA-O 3.3Å; P940-D983 WeakPolarHBondContact CA-O 3.43Å; P940-D983 VanDerWaalsContact CB-O 3.32Å; P940-D983 WeakPolarHBondContact CB-O 3.47Å; P940-A984 HydrophobicContact CB-CB 4.15Å; P940-A984 HydrophobicContact CG-CB 3.87Å; P940-N1064 HydrophobicContact CG-CB 4.22Å
941	A	95.5	Very high	94.8	Very high	10 Å²	10	36.6 Å²	36.6	8%	0.083	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.3	172.5	0	0	0	0	0	110.1	L936 Y943 V966 D983	L936-A941 HydrophobicContact CD1-CB 4.09Å; A941-Y943 HydrophobicContact CB-CD2 4.48Å; A941-Y943 HydrophobicContact CB-CE2 3.57Å; A941-Y943 WeakPolarHBondContact CB-OH 3.33Å; A941-V966 HydrophobicContact CB-CG1 4.36Å; A941-D983 PolarHBondContact N-O 3.45Å; A941-D983 PolarHBondContact O-N 2.93Å
942	L	96.7	Very high	94.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.6	174.7	-178.1	68	0	0	0	109.7	L967 Q968 L969 L974 F980 L981 L982 M1065	L942-L967 HydrophobicContact CB-CB 4.19Å; L942-L967 HydrophobicContact CD2-CB 4.07Å; L942-L967 HydrophobicContact CG-CB 4.13Å; L942-L967 HydrophobicContact CG-CD1 4.46Å; L942-L967 PolarHBondContact O-N 2.94Å; L942-Q968 WeakPolarHBondContact CD2-O 3.26Å; L942-L969 HydrophobicContact CB-CD2 3.84Å; L942-L974 HydrophobicContact CD1-CD2 4.36Å; L942-L974 HydrophobicContact CD2-CD2 4.05Å; L942-F980 HydrophobicContact CD1-CB 4.12Å; L942-L981 CarbonylContact C-O 3.54Å; L942-L981 WeakPolarHBondContact CA-O 3.38Å; L942-L982 HydrophobicContact CB-CD1 4.32Å; L942-L982 HydrophobicContact CD1-CB 4.07Å; L942-L982 HydrophobicContact CD1-CD1 4.36Å; L942-M1065 HydrophobicContact CD2-CE 4.49Å; L942-M1065 HydrophobicContact CD2-SD 4.4Å
943	Y	96.4	Very high	94.2	Very high	24 Å²	24	36.2 Å²	36.2	9%	0.094	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.2	178.3	-53.8	-83	0	0	0	109.7	A941 P964 V966 F980 L981 D983 F1034 L1038	A941-Y943 HydrophobicContact CB-CD2 4.48Å; A941-Y943 HydrophobicContact CB-CE2 3.57Å; A941-Y943 WeakPolarHBondContact CB-OH 3.33Å; Y943-P964 HydrophobicContact CD1-CB 4.27Å; Y943-P964 HydrophobicContact CD1-CG 3.84Å; Y943-P964 HydrophobicContact CG-CG 4.31Å; Y943-V966 HydrophobicContact CE1-CG2 3.76Å; Y943-F980 CarbonylContact O-C 3.41Å; Y943-F980 VanDerWaalsContact O-CA 3.26Å; Y943-F980 WeakPolarHBondContact O-CA 3.44Å; Y943-L981 PolarHBondContact N-O 3.44Å; Y943-L981 PolarHBondContact O-N 3.25Å; Y943-D983 HydrophobicContact CE2-CB 4.46Å; Y943-F1034 HydrophobicContact CD1-CE1 4.39Å; Y943-F1034 AromaticContact CD1-CZ 3.82Å; Y943-F1034 HydrophobicContact CD1-CZ 3.82Å; Y943-F1034 HydrophobicContact CD2-CE1 4.09Å; Y943-F1034 AromaticContact CD2-CZ 3.98Å; Y943-F1034 HydrophobicContact CD2-CZ 3.98Å; Y943-F1034 AromaticContact CE1-CZ 3.9Å; Y943-F1034 HydrophobicContact CE1-CZ 3.9Å; Y943-F1034 HydrophobicContact CE2-CZ 4.07Å; Y943-F1034 AromaticContact CG-CE1 3.99Å; Y943-F1034 HydrophobicContact CG-CE1 3.99Å; Y943-F1034 AromaticContact CG-CZ 3.83Å; Y943-F1034 HydrophobicContact CG-CZ 3.83Å; Y943-L1038 HydrophobicContact CE2-CD1 4.13Å; Y943-L1038 HydrophobicContact CE2-CD2 4.4Å
944	R	96.4	Very high	94.1	Very high	71 Å²	71	37.9 Å²	37.9	27%	0.268	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	140.3	164	-168.8	174	173	-156.5	8.9	109.2	D946 D947 L967 F980	R944-D946 WeakPolarHBondContact CG-OD1 3.36Å; R944-D946 IonicContact CZ-OD1 3.91Å; R944-D946 IonicContact CZ-OD2 3.21Å; R944-D946 VanDerWaalsContact NE-CG 3.29Å; R944-D946 IonicContact NE-OD1 3.49Å; R944-D946 PolarHBondContact NE-OD1 3.45Å; R944-D946 IonicContact NE-OD2 3.44Å; R944-D946 PolarHBondContact NE-OD2 3.48Å; R944-D946 VanDerWaalsContact NE-OD2 3.09Å; R944-D946 IonicContact NH2-OD1 2.86Å; R944-D946 IonicContact NH2-OD2 2.67Å; R944-D946 PolarHBondContact NH2-OD2 3.32Å; R944-D947 WeakPolarHBondContact CB-OD1 3.35Å; R944-D947 WeakPolarHBondContact CD-OD1 3.31Å; R944-D947 VanDerWaalsContact CD-OD2 3.28Å; R944-D947 WeakPolarHBondContact CD-OD2 3.26Å; R944-D947 VanDerWaalsContact CG-OD1 3.23Å; R944-D947 WeakPolarHBondContact CG-OD1 3.29Å; R944-D947 IonicContact CZ-OD2 2.72Å; R944-D947 IonicContact NE-OD1 3.09Å; R944-D947 IonicContact NE-OD2 3.34Å; R944-D947 PolarHBondContact NE-OD2 2.97Å; R944-D947 IonicContact NH1-OD2 3.88Å; R944-D947 PolarHBondContact NH1-OD2 3.08Å; R944-L967 HydrophobicContact CB-CD1 4.21Å; R944-F980 HydrophobicContact CB-CD1 4Å; R944-F980 HydrophobicContact CB-CE1 3.81Å; R944-F980 HydrophobicContact CB-CZ 4.47Å; R944-F980 HydrophobicContact CG-CD1 4.2Å; R944-F980 HydrophobicContact CG-CE1 3.81Å; R944-F980 HydrophobicContact CG-CZ 3.98Å
945	L	96.1	Very high	93.9	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	24%	0.241	C	C	.	.			trans	-118.3	-15.1	-175.1	-61	-161.4	0	0	0	114.4	D947 L948 A979 L981 L990 F1000 T1031 F1034	L945-D947 PolarHBondContact O-N 3.48Å; L945-L948 HydrophobicContact CD2-CD1 4.29Å; L945-L948 HydrophobicContact CD2-CD2 4.14Å; L945-L948 HydrophobicContact CD2-CG 4.44Å; L945-L948 WeakPolarHBondContact O-CG 3.28Å; L945-A979 PolarHBondContact N-O 3.39Å; L945-L981 HydrophobicContact CD1-CB 3.76Å; L945-L981 HydrophobicContact CD1-CD2 4.41Å; L945-L981 HydrophobicContact CD2-CB 3.99Å; L945-L981 HydrophobicContact CD2-CD2 4.47Å; L945-L981 HydrophobicContact CG-CB 3.8Å; L945-L990 HydrophobicContact CD1-CD1 3.85Å; L945-L990 HydrophobicContact CD1-CD2 4.43Å; L945-L990 HydrophobicContact CG-CD1 4.4Å; L945-F1000 HydrophobicContact CB-CE2 3.98Å; L945-F1000 HydrophobicContact CB-CZ 4.32Å; L945-T1031 HydrophobicContact CD1-CG2 3.94Å; L945-F1034 HydrophobicContact CD2-CD1 3.81Å; L945-F1034 HydrophobicContact CD2-CE1 3.86Å
946	D	92.8	Very high	93.4	Very high	37 Å²	37	47.4 Å²	47.4	20%	0.198	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.4	178.1	60	-68.9	0	0	0	113.9	R944 G978 A979 H997 F1000	R944-D946 WeakPolarHBondContact CG-OD1 3.36Å; R944-D946 IonicContact CZ-OD1 3.91Å; R944-D946 IonicContact CZ-OD2 3.21Å; R944-D946 VanDerWaalsContact NE-CG 3.29Å; R944-D946 IonicContact NE-OD1 3.49Å; R944-D946 PolarHBondContact NE-OD1 3.45Å; R944-D946 IonicContact NE-OD2 3.44Å; R944-D946 PolarHBondContact NE-OD2 3.48Å; R944-D946 VanDerWaalsContact NE-OD2 3.09Å; R944-D946 IonicContact NH2-OD1 2.86Å; R944-D946 IonicContact NH2-OD2 2.67Å; R944-D946 PolarHBondContact NH2-OD2 3.32Å; D946-G978 VanDerWaalsContact CG-CA 3.42Å; D946-G978 WeakPolarHBondContact OD1-CA 3.33Å; D946-G978 WeakPolarHBondContact OD2-CA 3.36Å; D946-A979 HydrophobicContact CB-CB 4.35Å; D946-A979 PolarHBondContact OD1-N 2.91Å; D946-H997 IonicContact OD2-CD2 3.95Å; D946-F1000 HydrophobicContact CB-CB 4.37Å; D946-F1000 HydrophobicContact CB-CD2 3.98Å; D946-F1000 HydrophobicContact CB-CG 4.33Å
947	D	92.4	Very high	93	Very high	85 Å²	85	49.2 Å²	49.2	46%	0.455	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	27.5	176.7	57.4	-0.4	0	0	0	114	R944 L945 S949	R944-D947 WeakPolarHBondContact CB-OD1 3.35Å; R944-D947 WeakPolarHBondContact CD-OD1 3.31Å; R944-D947 VanDerWaalsContact CD-OD2 3.28Å; R944-D947 WeakPolarHBondContact CD-OD2 3.26Å; R944-D947 VanDerWaalsContact CG-OD1 3.23Å; R944-D947 WeakPolarHBondContact CG-OD1 3.29Å; R944-D947 IonicContact CZ-OD2 2.72Å; R944-D947 IonicContact NE-OD1 3.09Å; R944-D947 IonicContact NE-OD2 3.34Å; R944-D947 PolarHBondContact NE-OD2 2.97Å; R944-D947 IonicContact NH1-OD2 3.88Å; R944-D947 PolarHBondContact NH1-OD2 3.08Å; L945-D947 PolarHBondContact O-N 3.48Å; D947-S949 PolarHBondContact O-N 3.41Å
948	L	94.1	Very high	92.4	Very high	25 Å²	25	57.7 Å²	57.7	13%	0.131	33%	0.328	C	S	.	.			trans	-61.7	123.6	174.7	-67.5	-178.8	0	0	0	112.6	L945 P962 P964 R1030	L945-L948 HydrophobicContact CD2-CD1 4.29Å; L945-L948 HydrophobicContact CD2-CD2 4.14Å; L945-L948 HydrophobicContact CD2-CG 4.44Å; L945-L948 WeakPolarHBondContact O-CG 3.28Å; L948-P962 HydrophobicContact CB-CB 4.44Å; L948-P962 HydrophobicContact CB-CG 4.46Å; L948-P962 HydrophobicContact CD2-CB 4.07Å; L948-P964 HydrophobicContact CD2-CB 3.86Å; L948-P964 HydrophobicContact CD2-CG 3.71Å; L948-R1030 HydrophobicContact CD1-CB 4.4Å
949	S	92.1	Very high	91.9	Very high	55 Å²	55	63.1 Å²	63.1	39%	0.385	35%	0.353	S	S	.	.			trans	-119.4	170.3	172.7	73.1	0	0	0	0	112	D947 E951	D947-S949 PolarHBondContact O-N 3.41Å; S949-E951 VanDerWaalsContact C-N 3.29Å; S949-E951 PolarHBondContact OG-N 3.5Å
950	D	91.8	Very high	91.7	Very high	76 Å²	76	65.2 Å²	65.2	41%	0.406	37%	0.367	S	S	.	.	S	Bend	trans	-87	1.4	173.7	-50.2	-45.2	0	0	0	112.3	G952 A953 T960 R1030	D950-G952 PolarHBondContact O-N 3.08Å; D950-A953 HydrophobicContact CB-CB 4.45Å; D950-A953 VanDerWaalsContact O-CB 3.24Å; D950-A953 WeakPolarHBondContact O-CB 3.29Å; D950-A953 PolarHBondContact O-N 3.37Å; D950-A953 VanDerWaalsContact O-N 3.14Å; D950-T960 HydrophobicContact CB-CG2 4.15Å; D950-R1030 IonicContact OD1-CZ 3.77Å; D950-R1030 IonicContact OD1-NE 3.78Å; D950-R1030 PolarHBondContact OD1-NE 3.44Å; D950-R1030 IonicContact OD1-NH2 3.33Å; D950-R1030 IonicContact OD2-CZ 2.73Å; D950-R1030 IonicContact OD2-NE 2.78Å; D950-R1030 PolarHBondContact OD2-NE 2.87Å; D950-R1030 IonicContact OD2-NH2 3.44Å; D950-R1030 PolarHBondContact OD2-NH2 2.64Å
951	E	88.8	Confident	91.7	Very high	170 Å²	170	65.3 Å²	65.3	79%	0.794	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	117.1	179.5	-65.2	-168.6	161.8	0	0	110.8	S949 A953	S949-E951 VanDerWaalsContact C-N 3.29Å; S949-E951 PolarHBondContact OG-N 3.5Å; E951-A953 PolarHBondContact O-N 3.32Å
952	G	87.2	Confident	91.6	Very high	67 Å²	67	64.9 Å²	64.9	69%	0.691	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	11.8	-174.4	0	0	0	0	0	114.2	D950 Q963	D950-G952 PolarHBondContact O-N 3.08Å; G952-Q963 WeakPolarHBondContact O-CG 3.3Å
953	A	91.4	Very high	91.5	Very high	16 Å²	16	68.1 Å²	68.1	13%	0.132	38%	0.379	C	S	.	.			trans	-61.9	149.2	174.2	0	0	0	0	0	112.3	D950 E951 T960 I961	D950-A953 HydrophobicContact CB-CB 4.45Å; D950-A953 VanDerWaalsContact O-CB 3.24Å; D950-A953 WeakPolarHBondContact O-CB 3.29Å; D950-A953 PolarHBondContact O-N 3.37Å; D950-A953 VanDerWaalsContact O-N 3.14Å; E951-A953 PolarHBondContact O-N 3.32Å; A953-T960 HydrophobicContact CB-CG2 3.56Å; A953-I961 CarbonylContact C-O 3.56Å; A953-I961 VanDerWaalsContact CA-O 3.25Å; A953-I961 WeakPolarHBondContact CA-O 3.45Å; A953-I961 VanDerWaalsContact CB-O 3.3Å; A953-I961 WeakPolarHBondContact CB-O 3.49Å
954	L	91.5	Very high	91.4	Very high	67 Å²	67	68.2 Å²	68.2	35%	0.351	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.3	172.7	-58	177	0	0	0	109.2	I956 I961 Q963 W1037	L954-I956 HydrophobicContact CB-CD1 4.35Å; L954-I956 HydrophobicContact CB-CG1 4.19Å; L954-I961 HydrophobicContact CB-CB 4.43Å; L954-I961 PolarHBondContact N-O 2.1Å; L954-I961 PolarHBondContact O-N 2.99Å; L954-Q963 HydrophobicContact CD1-CG 4.32Å; L954-Q963 HydrophobicContact CD2-CG 4.47Å; L954-Q963 HydrophobicContact CG-CG 3.81Å; L954-W1037 HydrophobicContact CD1-CZ2 3.92Å
955	N	92.4	Very high	91.1	Very high	119 Å²	119	73.6 Å²	73.6	64%	0.636	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	110.1	170.1	-64.9	-50.4	0	0	0	108.8	Q959 T960	N955-Q959 WeakPolarHBondContact CA-O 3.44Å; N955-T960 WeakPolarHBondContact OD1-CB 3.4Å; N955-T960 WeakPolarHBondContact OD1-CG2 2.84Å; N955-T960 PolarHBondContact OD1-OG1 2.77Å
956	I	86.8	Confident	90.9	Very high	95 Å²	95	74.9 Å²	74.9	49%	0.487	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	98.3	-177.3	-55.5	-172	0	0	0	108.2	L954 Q959 I961	L954-I956 HydrophobicContact CB-CD1 4.35Å; L954-I956 HydrophobicContact CB-CG1 4.19Å; I956-Q959 PolarHBondContact N-O 2.99Å; I956-Q959 PolarHBondContact O-N 2.71Å; I956-I961 HydrophobicContact CB-CD1 4.11Å; I956-I961 HydrophobicContact CD1-CD1 3.85Å; I956-I961 HydrophobicContact CG1-CD1 4.03Å
957	G	85.4	Confident	91	Very high	69 Å²	69	75.3 Å²	75.3	71%	0.711	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	-134.2	-165.6	0	0	0	0	0	110.4	Q959	G957-Q959 PolarHBondContact O-N 3.47Å
958	E	83.5	Confident	91	Very high	196 Å²	196	72.5 Å²	72.5	92%	0.916	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	4.5	178.8	-50.3	-56.2	125.4	0	0	114
959	Q	86.7	Confident	91.1	Very high	118 Å²	118	71.3 Å²	71.3	55%	0.551	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.8	-177.6	-68.6	-172.5	-9.5	0	0	112.7	N955 I956 G957 I961	N955-Q959 WeakPolarHBondContact CA-O 3.44Å; I956-Q959 PolarHBondContact N-O 2.99Å; I956-Q959 PolarHBondContact O-N 2.71Å; G957-Q959 PolarHBondContact O-N 3.47Å; Q959-I961 HydrophobicContact CB-CG1 4.37Å
960	T	92.4	Very high	91.3	Very high	61 Å²	61	69.1 Å²	69.1	37%	0.374	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.4	165.9	-58.2	0	0	0	0	109.6	D950 A953 N955	D950-T960 HydrophobicContact CB-CG2 4.15Å; A953-T960 HydrophobicContact CB-CG2 3.56Å; N955-T960 WeakPolarHBondContact OD1-CB 3.4Å; N955-T960 WeakPolarHBondContact OD1-CG2 2.84Å; N955-T960 PolarHBondContact OD1-OG1 2.77Å
961	I	95	Very high	91.5	Very high	7 Å²	7	69 Å²	69	4%	0.036	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	107.7	-171.4	-58.1	169	0	0	0	108.6	A953 L954 I956 Q959 W1037	A953-I961 CarbonylContact C-O 3.56Å; A953-I961 VanDerWaalsContact CA-O 3.25Å; A953-I961 WeakPolarHBondContact CA-O 3.45Å; A953-I961 VanDerWaalsContact CB-O 3.3Å; A953-I961 WeakPolarHBondContact CB-O 3.49Å; L954-I961 HydrophobicContact CB-CB 4.43Å; L954-I961 PolarHBondContact N-O 2.1Å; L954-I961 PolarHBondContact O-N 2.99Å; I956-I961 HydrophobicContact CB-CD1 4.11Å; I956-I961 HydrophobicContact CD1-CD1 3.85Å; I956-I961 HydrophobicContact CG1-CD1 4.03Å; Q959-I961 HydrophobicContact CB-CG1 4.37Å; I961-W1037 HydrophobicContact CD1-CB 4.26Å; I961-W1037 HydrophobicContact CD1-CG 4.29Å; I961-W1037 HydrophobicContact CG2-CB 3.61Å; I961-W1037 HydrophobicContact CG2-CD2 4.12Å; I961-W1037 HydrophobicContact CG2-CG 3.67Å
962	P	94.7	Very high	91.7	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.006	37%	0.372	C	S	.	.			trans	-52.3	150.1	178.4	-29.7	36.4	0	0	0	113.6	L948 P964 R1030 F1034	L948-P962 HydrophobicContact CB-CB 4.44Å; L948-P962 HydrophobicContact CB-CG 4.46Å; L948-P962 HydrophobicContact CD2-CB 4.07Å; P962-P964 VanDerWaalsContact C-CD 3.46Å; P962-P964 WeakPolarHBondContact O-CD 3.36Å; P962-R1030 HydrophobicContact CG-CB 3.92Å; P962-R1030 HydrophobicContact CG-CG 3.97Å; P962-F1034 VanDerWaalsContact O-CD2 3.28Å; P962-F1034 WeakPolarHBondContact O-CD2 3.32Å
963	Q	93.4	Very high	92.1	Very high	67 Å²	67	67.8 Å²	67.8	31%	0.313	35%	0.353	S	S	.	.			trans	-124.6	68.9	176.1	-66.8	-66.6	-81.5	0	0	110.8	G952 L954	G952-Q963 WeakPolarHBondContact O-CG 3.3Å; L954-Q963 HydrophobicContact CD1-CG 4.32Å; L954-Q963 HydrophobicContact CD2-CG 4.47Å; L954-Q963 HydrophobicContact CG-CG 3.81Å
964	P	93.6	Very high	92.3	Very high	27 Å²	27	68.2 Å²	68.2	18%	0.175	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-60.7	145.1	175.9	27.5	-35.8	0	0	0	111.3	Y943 L948 P962 F1034	Y943-P964 HydrophobicContact CD1-CB 4.27Å; Y943-P964 HydrophobicContact CD1-CG 3.84Å; Y943-P964 HydrophobicContact CG-CG 4.31Å; L948-P964 HydrophobicContact CD2-CB 3.86Å; L948-P964 HydrophobicContact CD2-CG 3.71Å; P962-P964 VanDerWaalsContact C-CD 3.46Å; P962-P964 WeakPolarHBondContact O-CD 3.36Å; P964-F1034 HydrophobicContact CG-CD1 4.23Å; P964-F1034 HydrophobicContact CG-CD2 4.29Å; P964-F1034 HydrophobicContact CG-CE1 3.65Å; P964-F1034 HydrophobicContact CG-CE2 3.74Å; P964-F1034 HydrophobicContact CG-CZ 3.39Å
965	R	91.1	Very high	92.5	Very high	184 Å²	184	67.4 Å²	67.4	69%	0.694	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-67	143.3	179.1	-62.7	-177.8	-177	-174.6	2.8	110.9	P357	P357-R965 HydrophobicContact CB-CG 4.07Å
966	V	92.7	Very high	92.6	Very high	31 Å²	31	69.8 Å²	69.8	19%	0.188	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-69.9	131.3	170.4	-175.6	0	0	0	0	109.4	A941 Y943	A941-V966 HydrophobicContact CB-CG1 4.36Å; Y943-V966 HydrophobicContact CE1-CG2 3.76Å
967	L	93.8	Very high	93	Very high	46 Å²	46	69.8 Å²	69.8	24%	0.241	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-99.2	157.6	177.6	-57.2	179.9	0	0	0	111.4	L942 R944 F980	L942-L967 HydrophobicContact CB-CB 4.19Å; L942-L967 HydrophobicContact CD2-CB 4.07Å; L942-L967 HydrophobicContact CG-CB 4.13Å; L942-L967 HydrophobicContact CG-CD1 4.46Å; L942-L967 PolarHBondContact O-N 2.94Å; R944-L967 HydrophobicContact CB-CD1 4.21Å; L967-F980 HydrophobicContact CD1-CD1 4.01Å; L967-F980 HydrophobicContact CD1-CE1 3.8Å
968	Q	93.5	Very high	93.5	Very high	26 Å²	26	66.5 Å²	66.5	12%	0.121	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-64	148.7	171.1	-75	175.4	-84.9	0	0	111.8	R352 L355 L942 S970 K973 E1067	R352-Q968 PolarHBondContact O-NE2 2.69Å; R352-Q968 PolarHBondContact O-OE1 3Å; L355-Q968 HydrophobicContact CD1-CB 4.41Å; L355-Q968 HydrophobicContact CD1-CG 3.89Å; L355-Q968 HydrophobicContact CG-CG 4.44Å; L942-Q968 WeakPolarHBondContact CD2-O 3.26Å; Q968-S970 PolarHBondContact O-N 2.87Å; Q968-K973 HydrophobicContact CB-CG 4.13Å; Q968-E1067 WeakPolarHBondContact CA-OE1 3.3Å; Q968-E1067 WeakPolarHBondContact CB-OE1 3.44Å; Q968-E1067 PolarHBondContact NE2-OE2 3.5Å
969	L	95.8	Very high	94.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-88.3	63.6	-178	-66.8	180	0	0	0	110.1	H939 P940 L942 L982 M1065 I1066 E1067	H939-L969 VanDerWaalsContact CE1-CD1 3.47Å; H939-L969 WeakPolarHBondContact CE1-CD1 3.46Å; H939-L969 WeakPolarHBondContact ND1-CD1 3.47Å; P940-L969 HydrophobicContact CB-CD1 4.17Å; P940-L969 HydrophobicContact CB-CD2 4.31Å; P940-L969 HydrophobicContact CG-CD1 4.44Å; P940-L969 WeakPolarHBondContact O-CD1 3.37Å; L942-L969 HydrophobicContact CB-CD2 3.84Å; L969-L982 HydrophobicContact CD2-CD1 3.72Å; L969-M1065 HydrophobicContact CD2-CE 4.24Å; L969-M1065 CarbonylContact O-C 3.58Å; L969-M1065 WeakPolarHBondContact O-CA 3.42Å; L969-I1066 HydrophobicContact CB-CG1 3.7Å; L969-I1066 HydrophobicContact CD1-CD1 3.86Å; L969-I1066 HydrophobicContact CD1-CG1 3.65Å; L969-I1066 HydrophobicContact CG-CG1 4.31Å; L969-I1066 PolarHBondContact O-N 2.95Å; L969-I1066 VanDerWaalsContact O-N 3.17Å; L969-E1067 PolarHBondContact N-OE1 3.3Å; L969-E1067 WeakPolarHBondContact O-CB 3.49Å; L969-E1067 PolarHBondContact O-N 2.96Å
970	S	95.4	Very high	94.7	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.063	25%	0.247	C	C	.	.	S	Bend	trans	-139	144	176.1	173	0	0	0	0	111.1	Q968 E972 K973 D1068	Q968-S970 PolarHBondContact O-N 2.87Å; S970-E972 PolarHBondContact O-N 2.81Å; S970-E972 VanDerWaalsContact O-N 3.1Å; S970-E972 PolarHBondContact OG-N 3.44Å; S970-E972 VanDerWaalsContact OG-N 3.16Å; S970-K973 PolarHBondContact O-N 2.91Å; S970-D1068 WeakPolarHBondContact CA-OD1 3.28Å; S970-D1068 WeakPolarHBondContact CA-OD2 3.46Å; S970-D1068 VanDerWaalsContact CB-OD1 3.26Å; S970-D1068 WeakPolarHBondContact CB-OD1 3.47Å; S970-D1068 PolarHBondContact OG-OD1 2.67Å
971	V	95.7	Very high	95	Very high	73 Å²	73	48.9 Å²	48.9	44%	0.442	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-57.6	-19.4	171.1	-63.6	0	0	0	0	113.5	K973 L974 L1062 M1065 D1068	V971-K973 PolarHBondContact O-N 3.49Å; V971-K973 VanDerWaalsContact O-N 3.14Å; V971-L974 HydrophobicContact CB-CD1 4.45Å; V971-L974 HydrophobicContact CG1-CD1 4.2Å; V971-L974 PolarHBondContact O-N 2.81Å; V971-L1062 HydrophobicContact CG1-CD2 3.65Å; V971-M1065 HydrophobicContact CG1-CG 4.24Å; V971-D1068 WeakPolarHBondContact CG1-OD2 3.15Å; V971-D1068 WeakPolarHBondContact CG2-OD2 3.07Å; V971-D1068 PolarHBondContact N-OD2 3.02Å
972	E	94.4	Very high	95.1	Very high	147 Å²	147	48.5 Å²	48.5	69%	0.687	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-57.6	-23.3	171.9	-71.1	-167.3	172.3	0	0	113.1	S970	S970-E972 PolarHBondContact O-N 2.81Å; S970-E972 VanDerWaalsContact O-N 3.1Å; S970-E972 PolarHBondContact OG-N 3.44Å; S970-E972 VanDerWaalsContact OG-N 3.16Å
973	K	94.6	Very high	95.2	Very high	65 Å²	65	48.5 Å²	48.5	28%	0.283	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-90.1	-9.8	178.5	-50.9	-50.9	-174.6	-171.7	0	113.7	Q968 S970 V971 S975 F980	Q968-K973 HydrophobicContact CB-CG 4.13Å; S970-K973 PolarHBondContact O-N 2.91Å; V971-K973 PolarHBondContact O-N 3.49Å; V971-K973 VanDerWaalsContact O-N 3.14Å; K973-S975 PolarHBondContact O-N 2.75Å; K973-F980 VanDerWaalsContact O-CE1 3.25Å; K973-F980 WeakPolarHBondContact O-CE1 3.38Å; K973-F980 VanDerWaalsContact O-CZ 3.27Å; K973-F980 WeakPolarHBondContact O-CZ 3.15Å
974	L	95.7	Very high	95.3	Very high	25 Å²	25	45.9 Å²	45.9	13%	0.131	22%	0.218	C	C	.	.			trans	-92.1	86.5	-172	-60.8	179.1	0	0	0	111.8	L942 V971 R976 F980 W991 F1061 M1065	L942-L974 HydrophobicContact CD1-CD2 4.36Å; L942-L974 HydrophobicContact CD2-CD2 4.05Å; V971-L974 HydrophobicContact CB-CD1 4.45Å; V971-L974 HydrophobicContact CG1-CD1 4.2Å; V971-L974 PolarHBondContact O-N 2.81Å; L974-R976 PolarHBondContact O-N 3.01Å; L974-F980 HydrophobicContact CD2-CB 4Å; L974-F980 HydrophobicContact CD2-CD1 3.93Å; L974-F980 HydrophobicContact CD2-CD2 4.15Å; L974-F980 HydrophobicContact CD2-CE1 4.44Å; L974-F980 HydrophobicContact CD2-CG 3.76Å; L974-W991 HydrophobicContact CB-CH2 4.18Å; L974-W991 HydrophobicContact CB-CZ3 3.99Å; L974-W991 HydrophobicContact CD2-CE3 4.36Å; L974-W991 HydrophobicContact CD2-CZ3 4.44Å; L974-F1061 HydrophobicContact CD1-CE1 3.62Å; L974-F1061 HydrophobicContact CD1-CZ 4.05Å; L974-F1061 HydrophobicContact CD2-CE1 4.49Å; L974-F1061 HydrophobicContact CD2-CZ 4.08Å; L974-M1065 HydrophobicContact CD1-SD 4.3Å
975	S	95.6	Very high	95.2	Very high	49 Å²	49	44.6 Å²	44.6	34%	0.343	21%	0.21	S	C	.	.			trans	-63.1	135.8	171	-179.8	0	0	0	0	111.1	K973 E977 G978 W991	K973-S975 PolarHBondContact O-N 2.75Å; S975-E977 PolarHBondContact O-N 2.84Å; S975-E977 VanDerWaalsContact O-N 3.15Å; S975-E977 PolarHBondContact OG-N 3.18Å; S975-G978 PolarHBondContact O-N 2.75Å; S975-W991 WeakPolarHBondContact O-CZ3 3.47Å
976	R	95.2	Very high	95.2	Very high	170 Å²	170	37.6 Å²	37.6	64%	0.642	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.5	173.1	-66.3	-174.7	177.7	-164.1	-0.9	113.4	L974 G993 R994 N995 C996	L974-R976 PolarHBondContact O-N 3.01Å; R976-G993 CarbonylContact O-C 3.37Å; R976-G993 VanDerWaalsContact O-CA 3.26Å; R976-G993 WeakPolarHBondContact O-CA 3.27Å; R976-R994 PolarHBondContact O-N 2.81Å; R976-N995 CarbonylContact O-C 3.52Å; R976-N995 WeakPolarHBondContact O-CA 3.25Å; R976-N995 WeakPolarHBondContact O-CB 3.09Å; R976-N995 PolarHBondContact O-N 2.89Å; R976-C996 PolarHBondContact O-N 2.9Å
977	E	95.9	Very high	95.3	Very high	95 Å²	95	37.4 Å²	37.4	44%	0.444	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-6.9	-177.5	-64.8	168.1	176.4	0	0	112.8	S975 N995 C996 H997	S975-E977 PolarHBondContact O-N 2.84Å; S975-E977 VanDerWaalsContact O-N 3.15Å; S975-E977 PolarHBondContact OG-N 3.18Å; E977-N995 HydrophobicContact CG-CB 3.85Å; E977-C996 WeakPolarHBondContact O-CA 3.45Å; E977-H997 PolarHBondContact O-CD2 2.99Å; E977-H997 VanDerWaalsContact O-CD2 3.24Å; E977-H997 PolarHBondContact O-N 3.34Å; E977-H997 VanDerWaalsContact O-N 3.17Å
978	G	95.6	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-104.8	-179.8	-178.6	0	0	0	0	0	115.6	D946 S975 G993	D946-G978 VanDerWaalsContact CG-CA 3.42Å; D946-G978 WeakPolarHBondContact OD1-CA 3.33Å; D946-G978 WeakPolarHBondContact OD2-CA 3.36Å; S975-G978 PolarHBondContact O-N 2.75Å; G978-G993 PolarHBondContact O-N 2.93Å
979	A	97.4	Very high	95.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.2	172.4	0	0	0	0	0	109.1	L945 D946 L990 W991 I992 F1000	L945-A979 PolarHBondContact N-O 3.39Å; D946-A979 HydrophobicContact CB-CB 4.35Å; D946-A979 PolarHBondContact OD1-N 2.91Å; A979-L990 HydrophobicContact CB-CD1 4.31Å; A979-W991 WeakPolarHBondContact CA-O 3.22Å; A979-I992 HydrophobicContact CB-CD1 3.89Å; A979-F1000 HydrophobicContact CB-CD1 3.71Å; A979-F1000 HydrophobicContact CB-CD2 4.23Å; A979-F1000 HydrophobicContact CB-CE1 3.44Å; A979-F1000 VanDerWaalsContact CB-CE1 3.44Å; A979-F1000 HydrophobicContact CB-CE2 3.97Å; A979-F1000 HydrophobicContact CB-CG 4.11Å; A979-F1000 HydrophobicContact CB-CZ 3.58Å
980	F	97.9	Very high	95.6	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.013	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126	-167.3	-67.4	-97.9	0	0	0	112	L942 Y943 R944 L967 K973 L974 L990 W991	L942-F980 HydrophobicContact CD1-CB 4.12Å; Y943-F980 CarbonylContact O-C 3.41Å; Y943-F980 VanDerWaalsContact O-CA 3.26Å; Y943-F980 WeakPolarHBondContact O-CA 3.44Å; R944-F980 HydrophobicContact CB-CD1 4Å; R944-F980 HydrophobicContact CB-CE1 3.81Å; R944-F980 HydrophobicContact CB-CZ 4.47Å; R944-F980 HydrophobicContact CG-CD1 4.2Å; R944-F980 HydrophobicContact CG-CE1 3.81Å; R944-F980 HydrophobicContact CG-CZ 3.98Å; L967-F980 HydrophobicContact CD1-CD1 4.01Å; L967-F980 HydrophobicContact CD1-CE1 3.8Å; K973-F980 VanDerWaalsContact O-CE1 3.25Å; K973-F980 WeakPolarHBondContact O-CE1 3.38Å; K973-F980 VanDerWaalsContact O-CZ 3.27Å; K973-F980 WeakPolarHBondContact O-CZ 3.15Å; L974-F980 HydrophobicContact CD2-CB 4Å; L974-F980 HydrophobicContact CD2-CD1 3.93Å; L974-F980 HydrophobicContact CD2-CD2 4.15Å; L974-F980 HydrophobicContact CD2-CE1 4.44Å; L974-F980 HydrophobicContact CD2-CG 3.76Å; F980-L990 CarbonylContact O-C 3.48Å; F980-L990 WeakPolarHBondContact O-CA 3.41Å; F980-W991 HydrophobicContact CB-CE3 4.3Å; F980-W991 AromaticContact CD2-CE3 3.72Å; F980-W991 HydrophobicContact CD2-CE3 3.72Å; F980-W991 AromaticContact CD2-CZ3 3.65Å; F980-W991 HydrophobicContact CD2-CZ3 3.65Å; F980-W991 HydrophobicContact CE2-CZ3 4.03Å; F980-W991 HydrophobicContact CG-CE3 4.39Å; F980-W991 PolarHBondContact N-O 3.5Å; F980-W991 PolarHBondContact O-N 2.73Å
981	L	98	Very high	95.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.1	175.5	-175.8	74.2	0	0	0	110.1	L942 Y943 L945 M988 Y989 L990 F1034 V1035 L1038 L1048	L942-L981 CarbonylContact C-O 3.54Å; L942-L981 WeakPolarHBondContact CA-O 3.38Å; Y943-L981 PolarHBondContact N-O 3.44Å; Y943-L981 PolarHBondContact O-N 3.25Å; L945-L981 HydrophobicContact CD1-CB 3.76Å; L945-L981 HydrophobicContact CD1-CD2 4.41Å; L945-L981 HydrophobicContact CD2-CB 3.99Å; L945-L981 HydrophobicContact CD2-CD2 4.47Å; L945-L981 HydrophobicContact CG-CB 3.8Å; L981-M988 HydrophobicContact CD1-CB 4.26Å; L981-Y989 CarbonylContact C-O 3.53Å; L981-Y989 WeakPolarHBondContact CA-O 3.43Å; L981-L990 HydrophobicContact CD1-CB 4.19Å; L981-F1034 HydrophobicContact CD2-CD1 4.34Å; L981-F1034 HydrophobicContact CD2-CE1 3.98Å; L981-V1035 HydrophobicContact CD2-CG2 3.9Å; L981-L1038 HydrophobicContact CD2-CD1 3.72Å; L981-L1048 HydrophobicContact CD1-CD1 4.05Å
982	L	97.9	Very high	95.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	112.9	167.6	176.6	74.1	0	0	0	109.1	P940 L942 L969 M988 Y989 F1061 N1064 M1065	P940-L982 HydrophobicContact CB-CD1 3.57Å; P940-L982 HydrophobicContact CB-CG 4.35Å; L942-L982 HydrophobicContact CB-CD1 4.32Å; L942-L982 HydrophobicContact CD1-CB 4.07Å; L942-L982 HydrophobicContact CD1-CD1 4.36Å; L969-L982 HydrophobicContact CD2-CD1 3.72Å; L982-M988 WeakPolarHBondContact O-CA 3.28Å; L982-Y989 HydrophobicContact CD2-CD2 4.1Å; L982-Y989 PolarHBondContact N-O 2.79Å; L982-Y989 PolarHBondContact O-N 3.39Å; L982-F1061 HydrophobicContact CB-CD2 3.92Å; L982-F1061 HydrophobicContact CB-CE2 3.6Å; L982-F1061 HydrophobicContact CD2-CD2 3.67Å; L982-F1061 HydrophobicContact CD2-CE2 4.04Å; L982-F1061 HydrophobicContact CD2-CG 4.42Å; L982-F1061 HydrophobicContact CG-CD2 4.46Å; L982-F1061 HydrophobicContact CG-CE2 4.43Å; L982-N1064 HydrophobicContact CD1-CB 4.45Å; L982-N1064 HydrophobicContact CD2-CB 3.57Å; L982-M1065 HydrophobicContact CD1-CE 3.98Å; L982-M1065 HydrophobicContact CD2-CE 4.13Å
983	D	96.6	Very high	95.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	107.9	168.3	-170.1	-18.7	0	0	0	110	L936 P940 A941 Y943 G985 M988 R1042	L936-D983 WeakPolarHBondContact CD1-O 3.34Å; P940-D983 CarbonylContact C-O 3.59Å; P940-D983 VanDerWaalsContact CA-O 3.3Å; P940-D983 WeakPolarHBondContact CA-O 3.43Å; P940-D983 VanDerWaalsContact CB-O 3.32Å; P940-D983 WeakPolarHBondContact CB-O 3.47Å; A941-D983 PolarHBondContact N-O 3.45Å; A941-D983 PolarHBondContact O-N 2.93Å; Y943-D983 HydrophobicContact CE2-CB 4.46Å; D983-G985 PolarHBondContact OD1-N 3.21Å; D983-M988 HydrophobicContact CB-CG 4.4Å; D983-M988 VanDerWaalsContact OD2-CE 3.26Å; D983-M988 WeakPolarHBondContact OD2-CE 3.42Å; D983-R1042 IonicContact OD1-CZ 3.53Å; D983-R1042 IonicContact OD1-NH1 2.73Å; D983-R1042 IonicContact OD1-NH2 2.64Å; D983-R1042 PolarHBondContact OD1-NH2 2.8Å; D983-R1042 IonicContact OD2-CZ 2.68Å; D983-R1042 VanDerWaalsContact OD2-CZ 3.31Å; D983-R1042 IonicContact OD2-NH1 2.88Å; D983-R1042 PolarHBondContact OD2-NH1 3.04Å; D983-R1042 IonicContact OD2-NH2 2.68Å; D983-R1042 PolarHBondContact OD2-NH2 2.6Å
984	A	94.9	Very high	95.8	Very high	12 Å²	12	28.5 Å²	28.5	10%	0.099	13%	0.129	C	C	.	.			trans	-106.1	31.7	176.1	0	0	0	0	0	112.1	P940 L986 V987	P940-A984 HydrophobicContact CB-CB 4.15Å; P940-A984 HydrophobicContact CG-CB 3.87Å; A984-L986 PolarHBondContact O-N 3.33Å; A984-V987 HydrophobicContact CB-CG1 4.07Å; A984-V987 PolarHBondContact N-O 3.4Å
985	G	92.3	Very high	95.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	78.1	-78.8	174.9	0	0	0	0	0	112.8	D983 V987 R1042 F1044	D983-G985 PolarHBondContact OD1-N 3.21Å; G985-V987 VanDerWaalsContact C-N 3.27Å; G985-V987 PolarHBondContact O-N 2.99Å; G985-R1042 PolarHBondContact O-NE 3.1Å; G985-R1042 PolarHBondContact O-NH2 2.89Å; G985-F1044 WeakPolarHBondContact O-CE2 3.26Å
986	L	90.5	Very high	95.8	Very high	37 Å²	37	29.9 Å²	29.9	19%	0.194	13%	0.134	C	C	.	.	S	Bend	trans	-78.3	-11.2	-179.2	-65.2	179.2	0	0	0	113.7	F921 Q925 M937 A984 F1044	F921-L986 HydrophobicContact CE1-CD1 3.65Å; F921-L986 HydrophobicContact CZ-CD1 4.21Å; Q925-L986 HydrophobicContact CG-CD1 4.4Å; M937-L986 HydrophobicContact CE-CD2 3.95Å; M937-L986 HydrophobicContact CE-CG 3.94Å; M937-L986 HydrophobicContact SD-CD1 4.28Å; M937-L986 HydrophobicContact SD-CG 4.04Å; A984-L986 PolarHBondContact O-N 3.33Å; L986-F1044 HydrophobicContact CD2-CD2 3.71Å; L986-F1044 HydrophobicContact CD2-CE2 3.87Å; L986-F1044 HydrophobicContact CD2-CG 4.25Å
987	V	93.7	Very high	95.8	Very high	26 Å²	26	26.4 Å²	26.4	16%	0.158	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	141.7	-176.9	61.8	0	0	0	0	109.6	A984 G985 Y989	A984-V987 HydrophobicContact CB-CG1 4.07Å; A984-V987 PolarHBondContact N-O 3.4Å; G985-V987 VanDerWaalsContact C-N 3.27Å; G985-V987 PolarHBondContact O-N 2.99Å; V987-Y989 HydrophobicContact CB-CE2 4.33Å; V987-Y989 HydrophobicContact CG1-CD2 4.33Å; V987-Y989 HydrophobicContact CG1-CE2 3.57Å; V987-Y989 HydrophobicContact CG2-CD2 4.28Å; V987-Y989 HydrophobicContact CG2-CE1 4.15Å; V987-Y989 HydrophobicContact CG2-CE2 3.78Å
988	M	96.1	Very high	95.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.4	170.5	-75.7	165.4	164.7	0	0	108.9	L981 L982 D983 V1035 L1038 R1039 P1046 S1047 L1048 H1049	L981-M988 HydrophobicContact CD1-CB 4.26Å; L982-M988 WeakPolarHBondContact O-CA 3.28Å; D983-M988 HydrophobicContact CB-CG 4.4Å; D983-M988 VanDerWaalsContact OD2-CE 3.26Å; D983-M988 WeakPolarHBondContact OD2-CE 3.42Å; M988-V1035 HydrophobicContact SD-CG1 4.24Å; M988-L1038 HydrophobicContact CE-CB 3.48Å; M988-L1038 VanDerWaalsContact CE-CB 3.48Å; M988-L1038 HydrophobicContact CE-CD1 4Å; M988-L1038 HydrophobicContact CE-CG 4.4Å; M988-R1039 HydrophobicContact CE-CG 4.13Å; M988-R1039 HydrophobicContact SD-CG 4.32Å; M988-P1046 HydrophobicContact CE-CG 3.86Å; M988-P1046 HydrophobicContact CG-CB 3.93Å; M988-P1046 HydrophobicContact CG-CG 4.19Å; M988-P1046 HydrophobicContact SD-CB 4.02Å; M988-P1046 HydrophobicContact SD-CG 3.63Å; M988-S1047 PolarHBondContact N-O 3.5Å; M988-L1048 HydrophobicContact CB-CB 4.49Å; M988-L1048 HydrophobicContact CB-CD1 3.75Å; M988-L1048 CarbonylContact O-C 2.98Å; M988-L1048 WeakPolarHBondContact O-CA 3.1Å; M988-H1049 PolarHBondContact O-N 2.94Å
989	Y	96.8	Very high	95.8	Very high	24 Å²	24	30.2 Å²	30.2	9%	0.094	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.6	173	-62.9	-82.4	0	0	0	109.4	L981 L982 V987 H1049 I1051 L1057 F1061	L981-Y989 CarbonylContact C-O 3.53Å; L981-Y989 WeakPolarHBondContact CA-O 3.43Å; L982-Y989 HydrophobicContact CD2-CD2 4.1Å; L982-Y989 PolarHBondContact N-O 2.79Å; L982-Y989 PolarHBondContact O-N 3.39Å; V987-Y989 HydrophobicContact CB-CE2 4.33Å; V987-Y989 HydrophobicContact CG1-CD2 4.33Å; V987-Y989 HydrophobicContact CG1-CE2 3.57Å; V987-Y989 HydrophobicContact CG2-CD2 4.28Å; V987-Y989 HydrophobicContact CG2-CE1 4.15Å; V987-Y989 HydrophobicContact CG2-CE2 3.78Å; Y989-H1049 CarbonylContact C-O 3.55Å; Y989-H1049 WeakPolarHBondContact CA-O 3.49Å; Y989-H1049 HydrophobicContact CD1-CB 3.95Å; Y989-H1049 HydrophobicContact CE1-CB 4.32Å; Y989-I1051 HydrophobicContact CD1-CD1 4.24Å; Y989-L1057 HydrophobicContact CE1-CB 4.45Å; Y989-F1061 HydrophobicContact CG-CB 4.46Å; Y989-F1061 HydrophobicContact CG-CD2 4.29Å
990	L	97.3	Very high	95.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	96.9	169.4	175.1	52.7	0	0	0	108.4	L945 A979 F980 L981 I992 F1000 L1020 L1048 H1049 I1050 I1051	L945-L990 HydrophobicContact CD1-CD1 3.85Å; L945-L990 HydrophobicContact CD1-CD2 4.43Å; L945-L990 HydrophobicContact CG-CD1 4.4Å; A979-L990 HydrophobicContact CB-CD1 4.31Å; F980-L990 CarbonylContact O-C 3.48Å; F980-L990 WeakPolarHBondContact O-CA 3.41Å; L981-L990 HydrophobicContact CD1-CB 4.19Å; L990-I992 HydrophobicContact CD1-CD1 4.13Å; L990-I992 HydrophobicContact CD2-CD1 4.37Å; L990-I992 HydrophobicContact CG-CD1 3.85Å; L990-F1000 HydrophobicContact CD2-CZ 4.34Å; L990-L1020 HydrophobicContact CD2-CD2 4.03Å; L990-L1048 HydrophobicContact CB-CD1 4.23Å; L990-H1049 PolarHBondContact N-O 3.34Å; L990-I1050 HydrophobicContact CB-CG1 4.21Å; L990-I1050 HydrophobicContact CB-CG2 4.41Å; L990-I1050 HydrophobicContact CD2-CD1 4.13Å; L990-I1050 HydrophobicContact CD2-CG1 4.26Å; L990-I1050 HydrophobicContact CD2-CG2 4.31Å; L990-I1050 HydrophobicContact CG-CG2 4.26Å; L990-I1050 CarbonylContact O-C 3.55Å; L990-I1050 WeakPolarHBondContact O-CA 3.22Å; L990-I1051 PolarHBondContact O-N 3.03Å
991	W	97.2	Very high	95.7	Very high	11 Å²	11	30.7 Å²	30.7	4%	0.042	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	128.6	176.2	174.3	85.3	0	0	0	110.3	L974 S975 A979 F980 I1051 D1053 F1061	L974-W991 HydrophobicContact CB-CH2 4.18Å; L974-W991 HydrophobicContact CB-CZ3 3.99Å; L974-W991 HydrophobicContact CD2-CE3 4.36Å; L974-W991 HydrophobicContact CD2-CZ3 4.44Å; S975-W991 WeakPolarHBondContact O-CZ3 3.47Å; A979-W991 WeakPolarHBondContact CA-O 3.22Å; F980-W991 HydrophobicContact CB-CE3 4.3Å; F980-W991 AromaticContact CD2-CE3 3.72Å; F980-W991 HydrophobicContact CD2-CE3 3.72Å; F980-W991 AromaticContact CD2-CZ3 3.65Å; F980-W991 HydrophobicContact CD2-CZ3 3.65Å; F980-W991 HydrophobicContact CE2-CZ3 4.03Å; F980-W991 HydrophobicContact CG-CE3 4.39Å; F980-W991 PolarHBondContact N-O 3.5Å; F980-W991 PolarHBondContact O-N 2.73Å; W991-I1051 WeakPolarHBondContact CA-O 3.27Å; W991-I1051 HydrophobicContact CB-CD1 4.24Å; W991-I1051 HydrophobicContact CB-CG1 3.93Å; W991-I1051 HydrophobicContact CG-CG1 4.47Å; W991-D1053 WeakPolarHBondContact CZ2-OD1 3.48Å; W991-D1053 PolarHBondContact NE1-OD1 2.71Å; W991-F1061 HydrophobicContact CB-CD2 4.3Å; W991-F1061 HydrophobicContact CB-CE1 4.05Å; W991-F1061 HydrophobicContact CB-CE2 3.79Å; W991-F1061 HydrophobicContact CB-CZ 3.65Å; W991-F1061 HydrophobicContact CG-CE1 4.09Å; W991-F1061 HydrophobicContact CG-CZ 4.13Å
992	I	97.1	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.7	178.4	-52.5	-54.9	0	0	0	108.5	A979 L990 C996 F1000 L1001 L1005 Y1010 I1050 I1051	A979-I992 HydrophobicContact CB-CD1 3.89Å; L990-I992 HydrophobicContact CD1-CD1 4.13Å; L990-I992 HydrophobicContact CD2-CD1 4.37Å; L990-I992 HydrophobicContact CG-CD1 3.85Å; I992-C996 HydrophobicContact CG2-CB 3.69Å; I992-F1000 HydrophobicContact CD1-CD1 4.41Å; I992-F1000 HydrophobicContact CD1-CE1 3.76Å; I992-L1001 HydrophobicContact CG2-CD2 3.92Å; I992-L1005 HydrophobicContact CD1-CD1 3.87Å; I992-L1005 HydrophobicContact CG1-CD1 4.02Å; I992-Y1010 HydrophobicContact CB-CE2 4.44Å; I992-Y1010 HydrophobicContact CG2-CD2 3.95Å; I992-Y1010 HydrophobicContact CG2-CE2 4.11Å; I992-I1050 HydrophobicContact CD1-CG2 4.27Å; I992-I1050 HydrophobicContact CG1-CG2 3.99Å; I992-I1051 PolarHBondContact N-O 3.45Å
993	G	95.9	Very high	95.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-63.5	145.1	174.6	0	0	0	0	0	112.2	R976 G978 N995 C996 Y1010	R976-G993 CarbonylContact O-C 3.37Å; R976-G993 VanDerWaalsContact O-CA 3.26Å; R976-G993 WeakPolarHBondContact O-CA 3.27Å; G978-G993 PolarHBondContact O-N 2.93Å; G993-N995 PolarHBondContact O-N 3.32Å; G993-N995 VanDerWaalsContact O-N 3.15Å; G993-C996 WeakPolarHBondContact O-CB 3.5Å; G993-C996 PolarHBondContact O-N 2.74Å; G993-Y1010 WeakPolarHBondContact O-CD2 3.43Å; G993-Y1010 WeakPolarHBondContact O-CE2 3.41Å
994	R	95.1	Very high	95.5	Very high	143 Å²	143	35.8 Å²	35.8	54%	0.54	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.3	-177.3	-178.3	167.2	168.7	148.3	-7.9	114.6	R976 Y1010 E1054	R976-R994 PolarHBondContact O-N 2.81Å; R994-Y1010 HydrophobicContact CB-CE1 4.41Å; R994-Y1010 HydrophobicContact CB-CE2 4.47Å; R994-Y1010 HydrophobicContact CG-CD1 4.46Å; R994-Y1010 HydrophobicContact CG-CE1 4.07Å; R994-E1054 IonicContact CZ-OE1 3.6Å; R994-E1054 IonicContact NE-OE1 3.88Å; R994-E1054 IonicContact NH1-OE1 2.7Å; R994-E1054 PolarHBondContact NH1-OE1 3.32Å
995	N	95.4	Very high	95.6	Very high	95 Å²	95	35.6 Å²	35.6	51%	0.508	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	20.4	174.8	-62.4	11.7	0	0	0	111.3	R976 E977 G993 H997	R976-N995 CarbonylContact O-C 3.52Å; R976-N995 WeakPolarHBondContact O-CA 3.25Å; R976-N995 WeakPolarHBondContact O-CB 3.09Å; R976-N995 PolarHBondContact O-N 2.89Å; E977-N995 HydrophobicContact CG-CB 3.85Å; G993-N995 PolarHBondContact O-N 3.32Å; G993-N995 VanDerWaalsContact O-N 3.15Å; N995-H997 PolarHBondContact O-N 2.86Å
996	C	95.9	Very high	95.8	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.054	20%	0.197	C	C	.	.			trans	-52.2	132.5	-173.3	-176.9	0	0	0	0	112.1	R976 E977 I992 G993 Q998 L1001	R976-C996 PolarHBondContact O-N 2.9Å; E977-C996 WeakPolarHBondContact O-CA 3.45Å; I992-C996 HydrophobicContact CG2-CB 3.69Å; G993-C996 WeakPolarHBondContact O-CB 3.5Å; G993-C996 PolarHBondContact O-N 2.74Å; C996-Q998 PolarHBondContact O-N 3.41Å; C996-L1001 HydrophobicContact CB-CD2 4.25Å; C996-L1001 HydrophobicContact CB-CG 4.48Å; C996-L1001 WeakPolarHBondContact O-CD1 3.41Å
997	H	94.7	Very high	96	Very high	96 Å²	96	37.3 Å²	37.3	44%	0.444	19%	0.194	S	C	.	.			trans	-53.4	131.3	-175.7	-67.8	-62.9	0	0	0	112.3	D946 E977 N995 N999 F1000 L1001	D946-H997 IonicContact OD2-CD2 3.95Å; E977-H997 PolarHBondContact O-CD2 2.99Å; E977-H997 VanDerWaalsContact O-CD2 3.24Å; E977-H997 PolarHBondContact O-N 3.34Å; E977-H997 VanDerWaalsContact O-N 3.17Å; N995-H997 PolarHBondContact O-N 2.86Å; H997-N999 PolarHBondContact O-N 3.46Å; H997-F1000 PolarHBondContact O-N 3.04Å; H997-L1001 PolarHBondContact O-N 3.01Å
998	Q	95.1	Very high	96.1	Very high	98 Å²	98	40.6 Å²	40.6	46%	0.458	22%	0.219	S	C	.	.	H	α-helix	trans	-53	-32.4	-175.2	-175	62.2	31.1	0	0	113.5	C996 F1000 L1001 S1002 S1008	C996-Q998 PolarHBondContact O-N 3.41Å; Q998-F1000 PolarHBondContact O-N 3.06Å; Q998-L1001 PolarHBondContact O-N 2.87Å; Q998-S1002 PolarHBondContact O-N 2.89Å; Q998-S1002 PolarHBondContact O-OG 2.82Å; Q998-S1002 VanDerWaalsContact O-OG 3.14Å; Q998-S1008 PolarHBondContact NE2-O 2.85Å; Q998-S1008 PolarHBondContact OE1-O 3.31Å
999	N	95.4	Very high	96.1	Very high	78 Å²	78	42.7 Å²	42.7	42%	0.417	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-40.1	177.6	-163.7	64.4	0	0	0	112.5	H997 Q1003 E1027	H997-N999 PolarHBondContact O-N 3.46Å; N999-Q1003 WeakPolarHBondContact O-CB 3.42Å; N999-Q1003 WeakPolarHBondContact O-CG 3.49Å; N999-Q1003 PolarHBondContact O-N 2.82Å; N999-Q1003 WeakPolarHBondContact OD1-CG 3.48Å; N999-Q1003 PolarHBondContact OD1-NE2 3.27Å; N999-E1027 PolarHBondContact ND2-OE1 2.9Å
1000	F	96.3	Very high	96	Very high	9 Å²	9	43 Å²	43	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-66.5	-42.2	174.9	-171.1	-89.1	0	0	0	111	L945 D946 A979 L990 I992 H997 Q998 S1002 V1004 L1005	L945-F1000 HydrophobicContact CB-CE2 3.98Å; L945-F1000 HydrophobicContact CB-CZ 4.32Å; D946-F1000 HydrophobicContact CB-CB 4.37Å; D946-F1000 HydrophobicContact CB-CD2 3.98Å; D946-F1000 HydrophobicContact CB-CG 4.33Å; A979-F1000 HydrophobicContact CB-CD1 3.71Å; A979-F1000 HydrophobicContact CB-CD2 4.23Å; A979-F1000 HydrophobicContact CB-CE1 3.44Å; A979-F1000 VanDerWaalsContact CB-CE1 3.44Å; A979-F1000 HydrophobicContact CB-CE2 3.97Å; A979-F1000 HydrophobicContact CB-CG 4.11Å; A979-F1000 HydrophobicContact CB-CZ 3.58Å; L990-F1000 HydrophobicContact CD2-CZ 4.34Å; I992-F1000 HydrophobicContact CD1-CD1 4.41Å; I992-F1000 HydrophobicContact CD1-CE1 3.76Å; H997-F1000 PolarHBondContact O-N 3.04Å; Q998-F1000 PolarHBondContact O-N 3.06Å; F1000-S1002 PolarHBondContact O-N 2.9Å; F1000-V1004 HydrophobicContact CD1-CB 4.38Å; F1000-V1004 HydrophobicContact CD2-CB 4.07Å; F1000-V1004 HydrophobicContact CD2-CG2 3.67Å; F1000-V1004 HydrophobicContact CE1-CB 4.25Å; F1000-V1004 HydrophobicContact CE1-CG1 4.27Å; F1000-V1004 HydrophobicContact CE2-CB 3.95Å; F1000-V1004 HydrophobicContact CE2-CG1 3.89Å; F1000-V1004 HydrophobicContact CE2-CG2 3.79Å; F1000-V1004 HydrophobicContact CG-CB 4.29Å; F1000-V1004 HydrophobicContact CG-CG2 4.22Å; F1000-V1004 HydrophobicContact CZ-CB 4.04Å; F1000-V1004 HydrophobicContact CZ-CG1 3.75Å; F1000-V1004 HydrophobicContact CZ-CG2 4.39Å; F1000-V1004 WeakPolarHBondContact O-CA 3.28Å; F1000-V1004 VanDerWaalsContact O-CB 3.28Å; F1000-V1004 WeakPolarHBondContact O-CB 3.3Å; F1000-V1004 PolarHBondContact O-N 2.8Å; F1000-L1005 HydrophobicContact CD1-CD1 4.4Å; F1000-L1005 HydrophobicContact CD1-CG 4.34Å; F1000-L1005 HydrophobicContact CE1-CD1 4.16Å; F1000-L1005 HydrophobicContact CE1-CD2 4.37Å; F1000-L1005 HydrophobicContact CE1-CG 4.01Å; F1000-L1005 PolarHBondContact O-N 3.07Å
1001	L	96.8	Very high	95.8	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-43.5	179.5	-60.7	177.9	0	0	0	112.4	I992 C996 H997 Q998 L1005 G1006 V1007 V1013	I992-L1001 HydrophobicContact CG2-CD2 3.92Å; C996-L1001 HydrophobicContact CB-CD2 4.25Å; C996-L1001 HydrophobicContact CB-CG 4.48Å; C996-L1001 WeakPolarHBondContact O-CD1 3.41Å; H997-L1001 PolarHBondContact O-N 3.01Å; Q998-L1001 PolarHBondContact O-N 2.87Å; L1001-L1005 HydrophobicContact CD2-CD1 4.17Å; L1001-L1005 CarbonylContact O-C 3.44Å; L1001-L1005 WeakPolarHBondContact O-CB 3.25Å; L1001-L1005 PolarHBondContact O-N 3.22Å; L1001-G1006 PolarHBondContact O-N 3.31Å; L1001-V1007 CarbonylContact C-O 3.17Å; L1001-V1007 HydrophobicContact CB-CG2 4.17Å; L1001-V1007 WeakPolarHBondContact O-CG2 3.3Å; L1001-V1007 PolarHBondContact O-N 3.09Å; L1001-V1013 HydrophobicContact CD2-CG2 4.18Å
1002	S	96.7	Very high	95.7	Very high	45 Å²	45	48.1 Å²	48.1	32%	0.315	28%	0.28	S	S	.	.	H	α-helix	trans	-82.3	-47.4	178.8	61.8	0	0	0	0	113.3	Q998 F1000 G1006	Q998-S1002 PolarHBondContact O-N 2.89Å; Q998-S1002 PolarHBondContact O-OG 2.82Å; Q998-S1002 VanDerWaalsContact O-OG 3.14Å; F1000-S1002 PolarHBondContact O-N 2.9Å; S1002-G1006 WeakPolarHBondContact O-CA 3.49Å; S1002-G1006 PolarHBondContact O-N 3.01Å
1003	Q	96.9	Very high	95.5	Very high	64 Å²	64	48.2 Å²	48.2	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-79.5	-30.4	-173	-51.3	-60	4.1	0	0	113.3	N999 L1023 T1025 E1027 S1028	N999-Q1003 WeakPolarHBondContact O-CB 3.42Å; N999-Q1003 WeakPolarHBondContact O-CG 3.49Å; N999-Q1003 PolarHBondContact O-N 2.82Å; N999-Q1003 WeakPolarHBondContact OD1-CG 3.48Å; N999-Q1003 PolarHBondContact OD1-NE2 3.27Å; Q1003-L1023 WeakPolarHBondContact O-CD1 3.27Å; Q1003-T1025 HydrophobicContact CB-CG2 4.27Å; Q1003-T1025 PolarHBondContact O-OG1 2.91Å; Q1003-E1027 HydrophobicContact CB-CB 4.09Å; Q1003-E1027 HydrophobicContact CB-CG 4.42Å; Q1003-S1028 WeakPolarHBondContact O-CB 3.33Å
1004	V	96.3	Very high	95.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-39.6	-176.4	-172.7	0	0	0	0	112.5	F1000 L1020 P1021 E1027 T1031	F1000-V1004 HydrophobicContact CD1-CB 4.38Å; F1000-V1004 HydrophobicContact CD2-CB 4.07Å; F1000-V1004 HydrophobicContact CD2-CG2 3.67Å; F1000-V1004 HydrophobicContact CE1-CB 4.25Å; F1000-V1004 HydrophobicContact CE1-CG1 4.27Å; F1000-V1004 HydrophobicContact CE2-CB 3.95Å; F1000-V1004 HydrophobicContact CE2-CG1 3.89Å; F1000-V1004 HydrophobicContact CE2-CG2 3.79Å; F1000-V1004 HydrophobicContact CG-CB 4.29Å; F1000-V1004 HydrophobicContact CG-CG2 4.22Å; F1000-V1004 HydrophobicContact CZ-CB 4.04Å; F1000-V1004 HydrophobicContact CZ-CG1 3.75Å; F1000-V1004 HydrophobicContact CZ-CG2 4.39Å; F1000-V1004 WeakPolarHBondContact O-CA 3.28Å; F1000-V1004 VanDerWaalsContact O-CB 3.28Å; F1000-V1004 WeakPolarHBondContact O-CB 3.3Å; F1000-V1004 PolarHBondContact O-N 2.8Å; V1004-L1020 HydrophobicContact CG1-CD2 4.25Å; V1004-P1021 WeakPolarHBondContact O-CD 3.41Å; V1004-P1021 VanDerWaalsContact O-CG 3.29Å; V1004-P1021 WeakPolarHBondContact O-CG 3.17Å; V1004-E1027 HydrophobicContact CG2-CB 3.56Å; V1004-T1031 HydrophobicContact CG1-CG2 3.78Å
1005	L	96.1	Very high	94.5	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.042	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-10.4	-179	-58.4	-176.7	0	0	0	114.4	I992 F1000 L1001 V1007 V1013 L1020 I1050	I992-L1005 HydrophobicContact CD1-CD1 3.87Å; I992-L1005 HydrophobicContact CG1-CD1 4.02Å; F1000-L1005 HydrophobicContact CD1-CD1 4.4Å; F1000-L1005 HydrophobicContact CD1-CG 4.34Å; F1000-L1005 HydrophobicContact CE1-CD1 4.16Å; F1000-L1005 HydrophobicContact CE1-CD2 4.37Å; F1000-L1005 HydrophobicContact CE1-CG 4.01Å; F1000-L1005 PolarHBondContact O-N 3.07Å; L1001-L1005 HydrophobicContact CD2-CD1 4.17Å; L1001-L1005 CarbonylContact O-C 3.44Å; L1001-L1005 WeakPolarHBondContact O-CB 3.25Å; L1001-L1005 PolarHBondContact O-N 3.22Å; L1005-V1007 HydrophobicContact CB-CG2 4.12Å; L1005-V1007 PolarHBondContact O-N 2.96Å; L1005-V1013 HydrophobicContact CD1-CG2 4.09Å; L1005-L1020 HydrophobicContact CD2-CD2 4.26Å; L1005-I1050 HydrophobicContact CD2-CD1 3.96Å; L1005-I1050 HydrophobicContact CD2-CG2 4.29Å
1006	G	95.6	Very high	93.8	Very high	48 Å²	48	53.8 Å²	53.8	50%	0.495	31%	0.312	S	S	.	.			trans	69.5	17.4	176.6	0	0	0	0	0	114.7	L1001 S1002	L1001-G1006 PolarHBondContact O-N 3.31Å; S1002-G1006 WeakPolarHBondContact O-CA 3.49Å; S1002-G1006 PolarHBondContact O-N 3.01Å
1007	V	95.9	Very high	93.2	Very high	24 Å²	24	55.3 Å²	55.3	15%	0.145	32%	0.32	C	S	.	.			trans	-110.9	150.2	-175.5	-61.7	0	0	0	0	112.5	L1001 L1005 S1009 A1012 V1013	L1001-V1007 CarbonylContact C-O 3.17Å; L1001-V1007 HydrophobicContact CB-CG2 4.17Å; L1001-V1007 WeakPolarHBondContact O-CG2 3.3Å; L1001-V1007 PolarHBondContact O-N 3.09Å; L1005-V1007 HydrophobicContact CB-CG2 4.12Å; L1005-V1007 PolarHBondContact O-N 2.96Å; V1007-S1009 VanDerWaalsContact C-N 3.35Å; V1007-S1009 PolarHBondContact O-N 2.96Å; V1007-A1012 HydrophobicContact CB-CB 4.1Å; V1007-V1013 HydrophobicContact CG2-CG2 3.8Å
1008	S	95.8	Very high	92.8	Very high	95 Å²	95	53 Å²	53	66%	0.664	31%	0.308	S	S	*	.	S	Bend	trans	-75.3	-18.6	-178.3	58.6	0	0	0	0	114.4	Q998	Q998-S1008 PolarHBondContact NE2-O 2.85Å; Q998-S1008 PolarHBondContact OE1-O 3.31Å
1009	S	95.6	Very high	92.3	Very high	44 Å²	44	52.8 Å²	52.8	31%	0.308	31%	0.309	S	S	.	.	S	Bend	trans	-167.2	168.4	179	64	0	0	0	0	111.9	V1007 A1011 A1012	V1007-S1009 VanDerWaalsContact C-N 3.35Å; V1007-S1009 PolarHBondContact O-N 2.96Å; S1009-A1011 VanDerWaalsContact C-N 3.25Å; S1009-A1011 PolarHBondContact O-N 2.81Å; S1009-A1012 WeakPolarHBondContact O-CB 3.43Å; S1009-A1012 PolarHBondContact O-N 3.14Å
1010	Y	94.9	Very high	92.1	Very high	31 Å²	31	50.2 Å²	50.2	12%	0.122	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-55.2	-38.8	174.5	175.5	-94.7	0	0	0	113	I992 G993 R994 A1012 V1013 R1052 D1053 E1054	I992-Y1010 HydrophobicContact CB-CE2 4.44Å; I992-Y1010 HydrophobicContact CG2-CD2 3.95Å; I992-Y1010 HydrophobicContact CG2-CE2 4.11Å; G993-Y1010 WeakPolarHBondContact O-CD2 3.43Å; G993-Y1010 WeakPolarHBondContact O-CE2 3.41Å; R994-Y1010 HydrophobicContact CB-CE1 4.41Å; R994-Y1010 HydrophobicContact CB-CE2 4.47Å; R994-Y1010 HydrophobicContact CG-CD1 4.46Å; R994-Y1010 HydrophobicContact CG-CE1 4.07Å; Y1010-A1012 PolarHBondContact O-N 2.72Å; Y1010-V1013 WeakPolarHBondContact O-CB 3.41Å; Y1010-V1013 PolarHBondContact O-N 3.17Å; Y1010-R1052 HydrophobicContact CE2-CB 4.43Å; Y1010-R1052 HydrophobicContact CE2-CG 4.28Å; Y1010-R1052 WeakPolarHBondContact OH-CB 3.37Å; Y1010-D1053 WeakPolarHBondContact OH-CB 3.5Å; Y1010-D1053 PolarHBondContact OH-N 2.78Å; Y1010-E1054 WeakPolarHBondContact CE1-OE2 3.5Å; Y1010-E1054 PolarHBondContact OH-OE2 2.92Å
1011	A	94	Very high	91.9	Very high	77 Å²	77	51.6 Å²	51.6	64%	0.636	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-64.9	-25.4	178.2	0	0	0	0	0	113	S1009 R1052	S1009-A1011 VanDerWaalsContact C-N 3.25Å; S1009-A1011 PolarHBondContact O-N 2.81Å; A1011-R1052 PolarHBondContact O-NH1 3Å
1012	A	94.5	Very high	91.8	Very high	44 Å²	44	59.5 Å²	59.5	36%	0.364	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-86.4	-5.8	178.1	0	0	0	0	0	114	V1007 S1009 Y1010 P1014	V1007-A1012 HydrophobicContact CB-CB 4.1Å; S1009-A1012 WeakPolarHBondContact O-CB 3.43Å; S1009-A1012 PolarHBondContact O-N 3.14Å; Y1010-A1012 PolarHBondContact O-N 2.72Å; A1012-P1014 VanDerWaalsContact O-CD 3.3Å; A1012-P1014 WeakPolarHBondContact O-CD 3.38Å
1013	V	92.4	Very high	91.8	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	34%	0.339	C	S	.	.	S	Bend	trans	-64.3	120.2	171	178.8	0	0	0	0	109.2	L1001 L1005 V1007 Y1010 R1052	L1001-V1013 HydrophobicContact CD2-CG2 4.18Å; L1005-V1013 HydrophobicContact CD1-CG2 4.09Å; V1007-V1013 HydrophobicContact CG2-CG2 3.8Å; Y1010-V1013 WeakPolarHBondContact O-CB 3.41Å; Y1010-V1013 PolarHBondContact O-N 3.17Å; V1013-R1052 HydrophobicContact CB-CG 4.15Å; V1013-R1052 HydrophobicContact CG1-CG 4.07Å; V1013-R1052 PolarHBondContact O-NH1 3.17Å
1014	P	89.9	Confident	91.7	Very high	64 Å²	64	63.7 Å²	63.7	42%	0.416	36%	0.362	S	S	.	.			trans	-67	149.2	-179.3	-20.1	32.7	0	0	0	113.1	A1012 K1016 L1017	A1012-P1014 VanDerWaalsContact O-CD 3.3Å; A1012-P1014 WeakPolarHBondContact O-CD 3.38Å; P1014-K1016 VanDerWaalsContact C-N 3.29Å; P1014-K1016 PolarHBondContact O-N 2.8Å; P1014-L1017 HydrophobicContact CB-CB 4.41Å
1015	E	81.1	Confident	91.7	Very high	142 Å²	142	64.8 Å²	64.8	66%	0.664	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.7	-177.5	-54.9	-162.4	145.5	0	0	114.6	R1052	E1015-R1052 IonicContact OE1-CZ 3.94Å; E1015-R1052 IonicContact OE1-NH2 2.79Å; E1015-R1052 PolarHBondContact OE1-NH2 2.96Å
1016	K	80.8	Confident	91.6	Very high	149 Å²	149	66.6 Å²	66.6	65%	0.648	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.8	54.6	-176.3	-68.7	-167.9	176.6	-173.9	0	110.8	P1014 Y1018	P1014-K1016 VanDerWaalsContact C-N 3.29Å; P1014-K1016 PolarHBondContact O-N 2.8Å; K1016-Y1018 HydrophobicContact CB-CE2 3.84Å; K1016-Y1018 WeakPolarHBondContact CB-OH 3.21Å; K1016-Y1018 WeakPolarHBondContact CG-OH 3.41Å; K1016-Y1018 WeakPolarHBondContact O-CD2 3.47Å; K1016-Y1018 WeakPolarHBondContact O-CE2 3.4Å
1017	L	83.4	Confident	91.5	Very high	40 Å²	40	67.2 Å²	67.2	21%	0.209	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-98.5	113.5	177.7	-174	63.8	0	0	0	110.2	P1014 L1019 I1050	P1014-L1017 HydrophobicContact CB-CB 4.41Å; L1017-L1019 WeakPolarHBondContact CD1-O 3.49Å; L1017-I1050 HydrophobicContact CB-CB 4.2Å; L1017-I1050 HydrophobicContact CD2-CB 4.24Å; L1017-I1050 HydrophobicContact CD2-CD1 3.81Å; L1017-I1050 HydrophobicContact CD2-CG1 4.46Å; L1017-I1050 HydrophobicContact CD2-CG2 4.36Å; L1017-I1050 HydrophobicContact CG-CB 4.28Å; L1017-I1050 HydrophobicContact CG-CD1 3.98Å; L1017-I1050 HydrophobicContact CG-CG1 4.35Å; L1017-I1050 PolarHBondContact O-N 2.91Å
1018	Y	84.7	Confident	91.5	Very high	49 Å²	49	66.1 Å²	66.1	19%	0.192	37%	0.369	C	S	.	.			trans	-111.2	-4.2	-172.9	-52.3	-65.7	0	0	0	114.1	P721 A722 K1016 L1048 H1049	P721-Y1018 HydrophobicContact CG-CD2 4.33Å; P721-Y1018 HydrophobicContact CG-CE2 4.16Å; A722-Y1018 HydrophobicContact CB-CD1 3.77Å; A722-Y1018 HydrophobicContact CB-CD2 4.39Å; A722-Y1018 HydrophobicContact CB-CE1 4.16Å; A722-Y1018 HydrophobicContact CB-CG 3.9Å; K1016-Y1018 HydrophobicContact CB-CE2 3.84Å; K1016-Y1018 WeakPolarHBondContact CB-OH 3.21Å; K1016-Y1018 WeakPolarHBondContact CG-OH 3.41Å; K1016-Y1018 WeakPolarHBondContact O-CD2 3.47Å; K1016-Y1018 WeakPolarHBondContact O-CE2 3.4Å; Y1018-L1048 VanDerWaalsContact CA-O 3.3Å; Y1018-L1048 WeakPolarHBondContact CA-O 3.35Å; Y1018-H1049 AromaticContact CD1-CE1 3.97Å; Y1018-H1049 AromaticContact CD1-ND1 3.54Å; Y1018-H1049 AromaticContact CE1-CE1 3.72Å; Y1018-H1049 AromaticContact CE1-ND1 3.43Å; Y1018-H1049 WeakPolarHBondContact CE1-ND1 3.45Å
1019	L	85.1	Confident	91.4	Very high	92 Å²	92	66.1 Å²	66.1	48%	0.482	36%	0.358	S	S	.	.	S	Bend	trans	-133.9	150	-178.4	-65.7	173.9	0	0	0	109.2	L1017	L1017-L1019 WeakPolarHBondContact CD1-O 3.49Å
1020	L	91.4	Very high	91.4	Very high	25 Å²	25	67.3 Å²	67.3	13%	0.131	36%	0.356	C	S	.	.			trans	-80	135.7	166.5	-71.9	162	0	0	0	108.8	L990 V1004 L1005 T1031 R1032 V1035 L1048 I1050	L990-L1020 HydrophobicContact CD2-CD2 4.03Å; V1004-L1020 HydrophobicContact CG1-CD2 4.25Å; L1005-L1020 HydrophobicContact CD2-CD2 4.26Å; L1020-T1031 HydrophobicContact CD1-CG2 3.87Å; L1020-T1031 HydrophobicContact CD2-CG2 4.17Å; L1020-R1032 HydrophobicContact CB-CG 3.95Å; L1020-R1032 HydrophobicContact CD1-CG 4.08Å; L1020-V1035 HydrophobicContact CD1-CB 4.16Å; L1020-V1035 HydrophobicContact CD1-CG1 4.33Å; L1020-V1035 HydrophobicContact CD1-CG2 4.03Å; L1020-L1048 HydrophobicContact CD1-CD2 4.36Å; L1020-L1048 HydrophobicContact CG-CD2 4.03Å; L1020-I1050 HydrophobicContact CD2-CD1 3.83Å; L1020-I1050 HydrophobicContact CG-CD1 4.31Å
1021	P	92.8	Very high	91.4	Very high	37 Å²	37	65.9 Å²	65.9	24%	0.24	35%	0.351	C	S	.	.			trans	-70.4	143.5	176.3	30.2	-34.4	0	0	0	111.1	V1004 L1023 S1028	V1004-P1021 WeakPolarHBondContact O-CD 3.41Å; V1004-P1021 VanDerWaalsContact O-CG 3.29Å; V1004-P1021 WeakPolarHBondContact O-CG 3.17Å; P1021-L1023 HydrophobicContact CB-CD1 4.42Å; P1021-L1023 HydrophobicContact CB-CD2 4.24Å; P1021-L1023 HydrophobicContact CB-CG 4.05Å; P1021-L1023 HydrophobicContact CG-CD1 3.87Å; P1021-L1023 HydrophobicContact CG-CG 4.01Å; P1021-L1023 PolarHBondContact O-N 3.1Å; P1021-S1028 PolarHBondContact O-OG 2.85Å
1022	E	94	Very high	91.5	Very high	169 Å²	169	65.5 Å²	65.5	79%	0.79	33%	0.333	S	S	*	.			trans	-82.6	82.9	177.1	-60.8	-165.4	154.4	0	0	110.2
1023	L	96.1	Very high	91.6	Very high	48 Å²	48	64.2 Å²	64.2	25%	0.251	32%	0.322	S	S	.	.			trans	-97.8	141.3	178.7	-53.4	172.4	0	0	0	110.3	Q1003 P1021 T1025 S1028 R1032	Q1003-L1023 WeakPolarHBondContact O-CD1 3.27Å; P1021-L1023 HydrophobicContact CB-CD1 4.42Å; P1021-L1023 HydrophobicContact CB-CD2 4.24Å; P1021-L1023 HydrophobicContact CB-CG 4.05Å; P1021-L1023 HydrophobicContact CG-CD1 3.87Å; P1021-L1023 HydrophobicContact CG-CG 4.01Å; P1021-L1023 PolarHBondContact O-N 3.1Å; L1023-T1025 HydrophobicContact CB-CG2 4.16Å; L1023-T1025 PolarHBondContact O-N 2.68Å; L1023-S1028 PolarHBondContact N-OG 2.91Å; L1023-S1028 WeakPolarHBondContact O-CB 3.43Å; L1023-S1028 PolarHBondContact O-OG 2.93Å; L1023-R1032 PolarHBondContact O-NH2 2.88Å
1024	D	95.1	Very high	91.7	Very high	149 Å²	149	64.2 Å²	64.2	80%	0.797	32%	0.322	S	S	*	.	S	Bend	trans	-84.5	69.5	176.8	-164.1	25.9	0	0	0	111	Q1029	D1024-Q1029 PolarHBondContact OD1-NE2 3.25Å
1025	T	95.9	Very high	92	Very high	24 Å²	24	61.4 Å²	61.4	15%	0.147	30%	0.304	C	S	.	.	S	Bend	trans	-138.2	148.3	-178.5	69.9	0	0	0	0	109.1	Q1003 L1023 E1027 S1028 Q1029	Q1003-T1025 HydrophobicContact CB-CG2 4.27Å; Q1003-T1025 PolarHBondContact O-OG1 2.91Å; L1023-T1025 HydrophobicContact CB-CG2 4.16Å; L1023-T1025 PolarHBondContact O-N 2.68Å; T1025-E1027 VanDerWaalsContact C-N 3.26Å; T1025-E1027 PolarHBondContact O-N 2.82Å; T1025-S1028 PolarHBondContact O-N 3.38Å; T1025-S1028 WeakPolarHBondContact OG1-CB 3.42Å; T1025-S1028 PolarHBondContact OG1-N 3.47Å; T1025-Q1029 WeakPolarHBondContact O-CB 3.16Å; T1025-Q1029 VanDerWaalsContact O-CG 3.22Å; T1025-Q1029 WeakPolarHBondContact O-CG 3.31Å; T1025-Q1029 PolarHBondContact O-N 3Å
1026	A	93.5	Very high	92.7	Very high	47 Å²	47	57.1 Å²	57.1	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-37.5	-179.5	0	0	0	0	0	111.6	R1030	A1026-R1030 WeakPolarHBondContact O-CB 3.5Å; A1026-R1030 WeakPolarHBondContact O-CG 3.37Å; A1026-R1030 PolarHBondContact O-N 2.84Å
1027	E	94.5	Very high	93.4	Very high	61 Å²	61	51.9 Å²	51.9	29%	0.285	27%	0.266	S	S	.	.	H	α-helix	trans	-70.6	-40.1	179.7	-58.7	93.4	142.1	0	0	112.4	N999 Q1003 V1004 T1025 T1031	N999-E1027 PolarHBondContact ND2-OE1 2.9Å; Q1003-E1027 HydrophobicContact CB-CB 4.09Å; Q1003-E1027 HydrophobicContact CB-CG 4.42Å; V1004-E1027 HydrophobicContact CG2-CB 3.56Å; T1025-E1027 VanDerWaalsContact C-N 3.26Å; T1025-E1027 PolarHBondContact O-N 2.82Å; E1027-T1031 WeakPolarHBondContact O-CB 3.45Å; E1027-T1031 PolarHBondContact O-N 2.68Å; E1027-T1031 PolarHBondContact O-OG1 3.26Å
1028	S	95.9	Very high	93.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67	-43.8	172.9	-179.2	0	0	0	0	111	Q1003 P1021 L1023 T1025 T1031 R1032	Q1003-S1028 WeakPolarHBondContact O-CB 3.33Å; P1021-S1028 PolarHBondContact O-OG 2.85Å; L1023-S1028 PolarHBondContact N-OG 2.91Å; L1023-S1028 WeakPolarHBondContact O-CB 3.43Å; L1023-S1028 PolarHBondContact O-OG 2.93Å; T1025-S1028 PolarHBondContact O-N 3.38Å; T1025-S1028 WeakPolarHBondContact OG1-CB 3.42Å; T1025-S1028 PolarHBondContact OG1-N 3.47Å; S1028-T1031 PolarHBondContact O-N 3.24Å; S1028-R1032 VanDerWaalsContact O-CB 3.31Å; S1028-R1032 WeakPolarHBondContact O-CB 3.44Å; S1028-R1032 WeakPolarHBondContact O-CG 3.47Å; S1028-R1032 PolarHBondContact O-N 2.82Å; S1028-R1032 PolarHBondContact O-NE 3.43Å; S1028-R1032 PolarHBondContact OG-NE 2.9Å
1029	Q	94.4	Very high	94.4	Very high	96 Å²	96	50 Å²	50	45%	0.449	26%	0.256	S	S	.	.	H	α-helix	trans	-60	-50.9	177.7	-70.2	174.8	16.1	0	0	111.2	D1024 T1025 T1031 R1032 A1033	D1024-Q1029 PolarHBondContact OD1-NE2 3.25Å; T1025-Q1029 WeakPolarHBondContact O-CB 3.16Å; T1025-Q1029 VanDerWaalsContact O-CG 3.22Å; T1025-Q1029 WeakPolarHBondContact O-CG 3.31Å; T1025-Q1029 PolarHBondContact O-N 3Å; Q1029-T1031 PolarHBondContact O-N 3.01Å; Q1029-R1032 PolarHBondContact O-N 3.16Å; Q1029-A1033 VanDerWaalsContact O-CB 3.27Å; Q1029-A1033 WeakPolarHBondContact O-CB 3.32Å; Q1029-A1033 PolarHBondContact O-N 2.89Å
1030	R	94.8	Very high	94.7	Very high	68 Å²	68	51.1 Å²	51.1	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-56.1	-46.5	174.1	-79.1	-174.9	-169.3	112.8	2.6	112.7	L948 D950 P962 A1026 A1033 F1034	L948-R1030 HydrophobicContact CD1-CB 4.4Å; D950-R1030 IonicContact OD1-CZ 3.77Å; D950-R1030 IonicContact OD1-NE 3.78Å; D950-R1030 PolarHBondContact OD1-NE 3.44Å; D950-R1030 IonicContact OD1-NH2 3.33Å; D950-R1030 IonicContact OD2-CZ 2.73Å; D950-R1030 IonicContact OD2-NE 2.78Å; D950-R1030 PolarHBondContact OD2-NE 2.87Å; D950-R1030 IonicContact OD2-NH2 3.44Å; D950-R1030 PolarHBondContact OD2-NH2 2.64Å; P962-R1030 HydrophobicContact CG-CB 3.92Å; P962-R1030 HydrophobicContact CG-CG 3.97Å; A1026-R1030 WeakPolarHBondContact O-CB 3.5Å; A1026-R1030 WeakPolarHBondContact O-CG 3.37Å; A1026-R1030 PolarHBondContact O-N 2.84Å; R1030-A1033 PolarHBondContact O-N 3.42Å; R1030-F1034 PolarHBondContact O-N 3.4Å
1031	T	95.9	Very high	94.7	Very high	2 Å²	2	55 Å²	55	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-65.9	-44.8	-178.1	-60	0	0	0	0	111.8	L945 V1004 L1020 E1027 S1028 Q1029 V1035	L945-T1031 HydrophobicContact CD1-CG2 3.94Å; V1004-T1031 HydrophobicContact CG1-CG2 3.78Å; L1020-T1031 HydrophobicContact CD1-CG2 3.87Å; L1020-T1031 HydrophobicContact CD2-CG2 4.17Å; E1027-T1031 WeakPolarHBondContact O-CB 3.45Å; E1027-T1031 PolarHBondContact O-N 2.68Å; E1027-T1031 PolarHBondContact O-OG1 3.26Å; S1028-T1031 PolarHBondContact O-N 3.24Å; Q1029-T1031 PolarHBondContact O-N 3.01Å; T1031-V1035 WeakPolarHBondContact O-CB 3.48Å; T1031-V1035 WeakPolarHBondContact O-CG2 3.25Å; T1031-V1035 PolarHBondContact O-N 3.34Å
1032	R	95.6	Very high	94.6	Very high	68 Å²	68	54.3 Å²	54.3	26%	0.257	27%	0.272	S	S	.	.	H	α-helix	trans	-67	-39.3	177	-72.2	-176.5	-70.8	130.3	-4.3	111.8	L1020 L1023 S1028 Q1029 V1035 S1036	L1020-R1032 HydrophobicContact CB-CG 3.95Å; L1020-R1032 HydrophobicContact CD1-CG 4.08Å; L1023-R1032 PolarHBondContact O-NH2 2.88Å; S1028-R1032 VanDerWaalsContact O-CB 3.31Å; S1028-R1032 WeakPolarHBondContact O-CB 3.44Å; S1028-R1032 WeakPolarHBondContact O-CG 3.47Å; S1028-R1032 PolarHBondContact O-N 2.82Å; S1028-R1032 PolarHBondContact O-NE 3.43Å; S1028-R1032 PolarHBondContact OG-NE 2.9Å; Q1029-R1032 PolarHBondContact O-N 3.16Å; R1032-V1035 PolarHBondContact O-N 2.9Å; R1032-S1036 WeakPolarHBondContact O-CB 3.22Å; R1032-S1036 PolarHBondContact O-N 3.46Å
1033	A	95.3	Very high	94.4	Very high	17 Å²	17	47.5 Å²	47.5	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-47.6	175.4	0	0	0	0	0	112	Q1029 R1030 S1036 W1037	Q1029-A1033 VanDerWaalsContact O-CB 3.27Å; Q1029-A1033 WeakPolarHBondContact O-CB 3.32Å; Q1029-A1033 PolarHBondContact O-N 2.89Å; R1030-A1033 PolarHBondContact O-N 3.42Å; A1033-S1036 PolarHBondContact O-N 2.99Å; A1033-W1037 WeakPolarHBondContact O-CB 3.49Å; A1033-W1037 PolarHBondContact O-N 3.36Å
1034	F	96.3	Very high	94.1	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-44	177	179.4	-117.9	0	0	0	112.7	Y943 L945 P962 P964 L981 R1030 W1037 L1038	Y943-F1034 HydrophobicContact CD1-CE1 4.39Å; Y943-F1034 AromaticContact CD1-CZ 3.82Å; Y943-F1034 HydrophobicContact CD1-CZ 3.82Å; Y943-F1034 HydrophobicContact CD2-CE1 4.09Å; Y943-F1034 AromaticContact CD2-CZ 3.98Å; Y943-F1034 HydrophobicContact CD2-CZ 3.98Å; Y943-F1034 AromaticContact CE1-CZ 3.9Å; Y943-F1034 HydrophobicContact CE1-CZ 3.9Å; Y943-F1034 HydrophobicContact CE2-CZ 4.07Å; Y943-F1034 AromaticContact CG-CE1 3.99Å; Y943-F1034 HydrophobicContact CG-CE1 3.99Å; Y943-F1034 AromaticContact CG-CZ 3.83Å; Y943-F1034 HydrophobicContact CG-CZ 3.83Å; L945-F1034 HydrophobicContact CD2-CD1 3.81Å; L945-F1034 HydrophobicContact CD2-CE1 3.86Å; P962-F1034 VanDerWaalsContact O-CD2 3.28Å; P962-F1034 WeakPolarHBondContact O-CD2 3.32Å; P964-F1034 HydrophobicContact CG-CD1 4.23Å; P964-F1034 HydrophobicContact CG-CD2 4.29Å; P964-F1034 HydrophobicContact CG-CE1 3.65Å; P964-F1034 HydrophobicContact CG-CE2 3.74Å; P964-F1034 HydrophobicContact CG-CZ 3.39Å; L981-F1034 HydrophobicContact CD2-CD1 4.34Å; L981-F1034 HydrophobicContact CD2-CE1 3.98Å; R1030-F1034 PolarHBondContact O-N 3.4Å; F1034-W1037 HydrophobicContact CD2-CE3 4.03Å; F1034-W1037 HydrophobicContact CD2-CZ3 4.4Å; F1034-W1037 AromaticContact CE2-CE3 3.95Å; F1034-W1037 HydrophobicContact CE2-CE3 3.95Å; F1034-W1037 AromaticContact CE2-CZ3 3.89Å; F1034-W1037 HydrophobicContact CE2-CZ3 3.89Å; F1034-W1037 PolarHBondContact O-N 2.89Å; F1034-L1038 HydrophobicContact CD1-CD1 4.25Å; F1034-L1038 HydrophobicContact CE1-CD1 3.7Å; F1034-L1038 HydrophobicContact CE1-CG 4.46Å; F1034-L1038 HydrophobicContact CE2-CD1 4.22Å; F1034-L1038 HydrophobicContact CE2-CD2 4.37Å; F1034-L1038 HydrophobicContact CE2-CG 4.13Å; F1034-L1038 HydrophobicContact CZ-CD1 3.67Å; F1034-L1038 HydrophobicContact CZ-CD2 4.32Å; F1034-L1038 HydrophobicContact CZ-CG 4.08Å; F1034-L1038 WeakPolarHBondContact O-CG 3.31Å; F1034-L1038 PolarHBondContact O-N 2.84Å
1035	V	95.9	Very high	94	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.03	20%	0.202	C	C	.	.	H	α-helix	trans	-68.9	-34.4	178.3	172.2	0	0	0	0	112.3	L981 M988 L1020 T1031 R1032 R1039	L981-V1035 HydrophobicContact CD2-CG2 3.9Å; M988-V1035 HydrophobicContact SD-CG1 4.24Å; L1020-V1035 HydrophobicContact CD1-CB 4.16Å; L1020-V1035 HydrophobicContact CD1-CG1 4.33Å; L1020-V1035 HydrophobicContact CD1-CG2 4.03Å; T1031-V1035 WeakPolarHBondContact O-CB 3.48Å; T1031-V1035 WeakPolarHBondContact O-CG2 3.25Å; T1031-V1035 PolarHBondContact O-N 3.34Å; R1032-V1035 PolarHBondContact O-N 2.9Å; V1035-R1039 VanDerWaalsContact O-CG 3.31Å; V1035-R1039 WeakPolarHBondContact O-CG 3.36Å; V1035-R1039 PolarHBondContact O-N 2.81Å
1036	S	94.8	Very high	93.9	Very high	52 Å²	52	39 Å²	39	36%	0.364	20%	0.195	S	C	.	.	H	α-helix	trans	-64.7	-52	170.3	-162.3	0	0	0	0	110.4	R1032 A1033 L1038 R1039 D1040	R1032-S1036 WeakPolarHBondContact O-CB 3.22Å; R1032-S1036 PolarHBondContact O-N 3.46Å; A1033-S1036 PolarHBondContact O-N 2.99Å; S1036-L1038 VanDerWaalsContact C-N 3.28Å; S1036-L1038 PolarHBondContact O-N 3.38Å; S1036-R1039 CarbonylContact O-C 3.58Å; S1036-R1039 WeakPolarHBondContact O-CA 3.37Å; S1036-R1039 VanDerWaalsContact O-CB 3.26Å; S1036-R1039 WeakPolarHBondContact O-CB 3.47Å; S1036-R1039 PolarHBondContact O-N 3.14Å; S1036-D1040 VanDerWaalsContact O-CG 3.26Å; S1036-D1040 PolarHBondContact O-N 3.18Å; S1036-D1040 PolarHBondContact OG-OD2 3.25Å
1037	W	95.3	Very high	93.8	Very high	40 Å²	40	37 Å²	37	15%	0.152	18%	0.178	C	C	.	.	H	α-helix	trans	-53.3	-43.4	-179.1	174.4	80.7	0	0	0	113.1	L954 I961 A1033 F1034 R1039 D1040 Q1041	L954-W1037 HydrophobicContact CD1-CZ2 3.92Å; I961-W1037 HydrophobicContact CD1-CB 4.26Å; I961-W1037 HydrophobicContact CD1-CG 4.29Å; I961-W1037 HydrophobicContact CG2-CB 3.61Å; I961-W1037 HydrophobicContact CG2-CD2 4.12Å; I961-W1037 HydrophobicContact CG2-CG 3.67Å; A1033-W1037 WeakPolarHBondContact O-CB 3.49Å; A1033-W1037 PolarHBondContact O-N 3.36Å; F1034-W1037 HydrophobicContact CD2-CE3 4.03Å; F1034-W1037 HydrophobicContact CD2-CZ3 4.4Å; F1034-W1037 AromaticContact CE2-CE3 3.95Å; F1034-W1037 HydrophobicContact CE2-CE3 3.95Å; F1034-W1037 AromaticContact CE2-CZ3 3.89Å; F1034-W1037 HydrophobicContact CE2-CZ3 3.89Å; F1034-W1037 PolarHBondContact O-N 2.89Å; W1037-R1039 VanDerWaalsContact C-N 3.33Å; W1037-R1039 PolarHBondContact O-N 2.84Å; W1037-D1040 PolarHBondContact O-N 3.08Å; W1037-Q1041 HydrophobicContact CD2-CG 4.43Å; W1037-Q1041 HydrophobicContact CZ2-CG 4.29Å; W1037-Q1041 VanDerWaalsContact O-CG 3.28Å; W1037-Q1041 WeakPolarHBondContact O-CG 3.24Å; W1037-Q1041 PolarHBondContact O-N 3.04Å; W1037-Q1041 VanDerWaalsContact O-N 3.07Å; W1037-Q1041 PolarHBondContact O-NE2 2.88Å
1038	L	95.1	Very high	93.8	Very high	9 Å²	9	34.2 Å²	34.2	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-36.7	173.9	-74.8	176.7	0	0	0	113.2	Y943 L981 M988 F1034 S1036 R1042	Y943-L1038 HydrophobicContact CE2-CD1 4.13Å; Y943-L1038 HydrophobicContact CE2-CD2 4.4Å; L981-L1038 HydrophobicContact CD2-CD1 3.72Å; M988-L1038 HydrophobicContact CE-CB 3.48Å; M988-L1038 VanDerWaalsContact CE-CB 3.48Å; M988-L1038 HydrophobicContact CE-CD1 4Å; M988-L1038 HydrophobicContact CE-CG 4.4Å; F1034-L1038 HydrophobicContact CD1-CD1 4.25Å; F1034-L1038 HydrophobicContact CE1-CD1 3.7Å; F1034-L1038 HydrophobicContact CE1-CG 4.46Å; F1034-L1038 HydrophobicContact CE2-CD1 4.22Å; F1034-L1038 HydrophobicContact CE2-CD2 4.37Å; F1034-L1038 HydrophobicContact CE2-CG 4.13Å; F1034-L1038 HydrophobicContact CZ-CD1 3.67Å; F1034-L1038 HydrophobicContact CZ-CD2 4.32Å; F1034-L1038 HydrophobicContact CZ-CG 4.08Å; F1034-L1038 WeakPolarHBondContact O-CG 3.31Å; F1034-L1038 PolarHBondContact O-N 2.84Å; S1036-L1038 VanDerWaalsContact C-N 3.28Å; S1036-L1038 PolarHBondContact O-N 3.38Å; L1038-R1042 PolarHBondContact O-NH1 3.38Å
1039	R	94.1	Very high	93.7	Very high	41 Å²	41	35.3 Å²	35.3	16%	0.155	17%	0.17	C	C	.	.	H	α-helix	trans	-69.1	-44	173.7	-70.8	172.5	154.4	179.7	-10.9	111	M988 V1035 S1036 W1037 Q1041 R1042 F1045 P1046	M988-R1039 HydrophobicContact CE-CG 4.13Å; M988-R1039 HydrophobicContact SD-CG 4.32Å; V1035-R1039 VanDerWaalsContact O-CG 3.31Å; V1035-R1039 WeakPolarHBondContact O-CG 3.36Å; V1035-R1039 PolarHBondContact O-N 2.81Å; S1036-R1039 CarbonylContact O-C 3.58Å; S1036-R1039 WeakPolarHBondContact O-CA 3.37Å; S1036-R1039 VanDerWaalsContact O-CB 3.26Å; S1036-R1039 WeakPolarHBondContact O-CB 3.47Å; S1036-R1039 PolarHBondContact O-N 3.14Å; W1037-R1039 VanDerWaalsContact C-N 3.33Å; W1037-R1039 PolarHBondContact O-N 2.84Å; R1039-Q1041 PolarHBondContact O-N 2.85Å; R1039-R1042 WeakPolarHBondContact O-CG 3.42Å; R1039-R1042 PolarHBondContact O-N 2.84Å; R1039-R1042 VanDerWaalsContact O-O 3.11Å; R1039-F1045 VanDerWaalsContact NH2-CZ 3.25Å; R1039-P1046 HydrophobicContact CG-CG 3.6Å; R1039-P1046 PolarHBondContact NE-O 3.43Å; R1039-P1046 PolarHBondContact NH2-O 2.93Å
1040	D	92.4	Very high	93.7	Very high	114 Å²	114	30.9 Å²	30.9	61%	0.61	15%	0.149	S	C	*	.	H	α-helix	trans	-69.8	-18.2	-176.7	-61.5	-45.7	0	0	0	113.1	S1036 W1037 R1042	S1036-D1040 VanDerWaalsContact O-CG 3.26Å; S1036-D1040 PolarHBondContact O-N 3.18Å; S1036-D1040 PolarHBondContact OG-OD2 3.25Å; W1037-D1040 PolarHBondContact O-N 3.08Å; D1040-R1042 PolarHBondContact O-N 2.94Å
1041	Q	90.6	Very high	93.7	Very high	106 Å²	106	27.7 Å²	27.7	50%	0.495	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-5.4	171.9	-64.5	-31.3	-79.5	0	0	114.3	F933 W1037 R1039	F933-Q1041 WeakPolarHBondContact CE1-O 3.42Å; W1037-Q1041 HydrophobicContact CD2-CG 4.43Å; W1037-Q1041 HydrophobicContact CZ2-CG 4.29Å; W1037-Q1041 VanDerWaalsContact O-CG 3.28Å; W1037-Q1041 WeakPolarHBondContact O-CG 3.24Å; W1037-Q1041 PolarHBondContact O-N 3.04Å; W1037-Q1041 VanDerWaalsContact O-N 3.07Å; W1037-Q1041 PolarHBondContact O-NE2 2.88Å; R1039-Q1041 PolarHBondContact O-N 2.85Å
1042	R	91.9	Very high	93.6	Very high	24 Å²	24	29.8 Å²	29.8	9%	0.091	15%	0.145	C	C	.	.	S	Bend	trans	-146.9	153.9	-171.2	59.4	-172.8	-173.3	-118.3	34.3	114.3	F933 D983 G985 L1038 R1039 D1040 F1044	F933-R1042 HydrophobicContact CD1-CB 4.01Å; F933-R1042 HydrophobicContact CE1-CB 3.53Å; F933-R1042 HydrophobicContact CZ-CB 3.94Å; D983-R1042 IonicContact OD1-CZ 3.53Å; D983-R1042 IonicContact OD1-NH1 2.73Å; D983-R1042 IonicContact OD1-NH2 2.64Å; D983-R1042 PolarHBondContact OD1-NH2 2.8Å; D983-R1042 IonicContact OD2-CZ 2.68Å; D983-R1042 VanDerWaalsContact OD2-CZ 3.31Å; D983-R1042 IonicContact OD2-NH1 2.88Å; D983-R1042 PolarHBondContact OD2-NH1 3.04Å; D983-R1042 IonicContact OD2-NH2 2.68Å; D983-R1042 PolarHBondContact OD2-NH2 2.6Å; G985-R1042 PolarHBondContact O-NE 3.1Å; G985-R1042 PolarHBondContact O-NH2 2.89Å; L1038-R1042 PolarHBondContact O-NH1 3.38Å; R1039-R1042 WeakPolarHBondContact O-CG 3.42Å; R1039-R1042 PolarHBondContact O-N 2.84Å; R1039-R1042 VanDerWaalsContact O-O 3.11Å; D1040-R1042 PolarHBondContact O-N 2.94Å; R1042-F1044 HydrophobicContact CB-CZ 4.41Å; R1042-F1044 HydrophobicContact CG-CE2 4.36Å
1043	P	90.3	Very high	93.4	Very high	26 Å²	26	28.3 Å²	28.3	17%	0.169	14%	0.142	C	C	.	.	S	Bend	trans	-81.8	-15	-171.8	31.4	-35.7	0	0	0	114.8	R733 D778 F933	R733-P1043 HydrophobicContact CG-CB 4.23Å; R733-P1043 VanDerWaalsContact CG-O 3.28Å; R733-P1043 WeakPolarHBondContact CG-O 3.39Å; D778-P1043 HydrophobicContact CB-CB 4.31Å; D778-P1043 HydrophobicContact CB-CG 3.94Å; D778-P1043 WeakPolarHBondContact OD1-CB 3.48Å; D778-P1043 WeakPolarHBondContact OD1-CG 3.23Å; F933-P1043 VanDerWaalsContact CE2-CD 3.5Å; F933-P1043 HydrophobicContact CE2-CG 4.11Å
1044	F	89.3	Confident	93.2	Very high	21 Å²	21	31.6 Å²	31.6	9%	0.092	16%	0.155	C	C	.	.	S	Bend	trans	-110.4	147.6	-178.4	53.2	-99.8	0	0	0	111	D730 F933 M937 G985 L986 R1042 P1046	D730-F1044 WeakPolarHBondContact OD1-CA 3.4Å; F933-F1044 HydrophobicContact CB-CE1 3.96Å; F933-F1044 HydrophobicContact CB-CZ 3.98Å; F933-F1044 HydrophobicContact CD1-CZ 4.47Å; F933-F1044 AromaticContact CD2-CE1 4Å; F933-F1044 HydrophobicContact CD2-CE1 4Å; F933-F1044 AromaticContact CG-CE1 3.91Å; F933-F1044 HydrophobicContact CG-CE1 3.91Å; F933-F1044 HydrophobicContact CG-CZ 4.13Å; M937-F1044 HydrophobicContact CE-CE1 3.96Å; M937-F1044 HydrophobicContact CE-CE2 3.96Å; M937-F1044 HydrophobicContact CE-CZ 3.41Å; M937-F1044 VanDerWaalsContact CE-CZ 3.41Å; G985-F1044 WeakPolarHBondContact O-CE2 3.26Å; L986-F1044 HydrophobicContact CD2-CD2 3.71Å; L986-F1044 HydrophobicContact CD2-CE2 3.87Å; L986-F1044 HydrophobicContact CD2-CG 4.25Å; R1042-F1044 HydrophobicContact CB-CZ 4.41Å; R1042-F1044 HydrophobicContact CG-CE2 4.36Å; F1044-P1046 WeakPolarHBondContact O-CD 3.4Å
1045	F	92.2	Very high	93	Very high	22 Å²	22	32.7 Å²	32.7	10%	0.096	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-89	121.5	-173	-170.3	-99.3	0	0	0	112.2	E725 R726 R729 D730 R1039	E725-F1045 VanDerWaalsContact CD-CE1 3.5Å; E725-F1045 HydrophobicContact CG-CE1 3.88Å; E725-F1045 HydrophobicContact CG-CZ 4.09Å; E725-F1045 WeakPolarHBondContact OE1-CZ 3.47Å; E725-F1045 VanDerWaalsContact OE2-CE1 3.29Å; E725-F1045 WeakPolarHBondContact OE2-CE1 3.14Å; E725-F1045 WeakPolarHBondContact OE2-CZ 3.28Å; R726-F1045 HydrophobicContact CB-CD1 4.25Å; R726-F1045 HydrophobicContact CG-CD1 4.48Å; R726-F1045 WeakPolarHBondContact CG-O 2.99Å; R729-F1045 HydrophobicContact CB-CB 3.52Å; R729-F1045 HydrophobicContact CB-CD1 4.24Å; R729-F1045 HydrophobicContact CB-CD2 3.83Å; R729-F1045 HydrophobicContact CB-CG 3.62Å; R729-F1045 HydrophobicContact CG-CB 4.22Å; R729-F1045 HydrophobicContact CG-CD1 4.05Å; R729-F1045 HydrophobicContact CG-CD2 3.68Å; R729-F1045 HydrophobicContact CG-CE1 4.24Å; R729-F1045 HydrophobicContact CG-CE2 3.9Å; R729-F1045 HydrophobicContact CG-CG 3.73Å; R729-F1045 HydrophobicContact CG-CZ 4.16Å; D730-F1045 PolarHBondContact OD1-N 3.16Å; R1039-F1045 VanDerWaalsContact NH2-CZ 3.25Å
1046	P	93.3	Very high	92.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-77.8	122.4	168.8	31.5	-33.5	0	0	0	110.6	M988 R1039 F1044 L1048	M988-P1046 HydrophobicContact CE-CG 3.86Å; M988-P1046 HydrophobicContact CG-CB 3.93Å; M988-P1046 HydrophobicContact CG-CG 4.19Å; M988-P1046 HydrophobicContact SD-CB 4.02Å; M988-P1046 HydrophobicContact SD-CG 3.63Å; R1039-P1046 HydrophobicContact CG-CG 3.6Å; R1039-P1046 PolarHBondContact NE-O 3.43Å; R1039-P1046 PolarHBondContact NH2-O 2.93Å; F1044-P1046 WeakPolarHBondContact O-CD 3.4Å; P1046-L1048 PolarHBondContact O-N 3.05Å
1047	S	92.1	Very high	92.6	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.028	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	128.1	164.8	61.9	0	0	0	0	109	M988 H1049	M988-S1047 PolarHBondContact N-O 3.5Å; S1047-H1049 WeakPolarHBondContact CB-NE2 3.5Å; S1047-H1049 PolarHBondContact OG-NE2 3.33Å
1048	L	93.6	Very high	92.4	Very high	3 Å²	3	41 Å²	41	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	140.1	173.6	175.4	66	0	0	0	109.5	L981 M988 L990 Y1018 L1020 P1046 I1050	L981-L1048 HydrophobicContact CD1-CD1 4.05Å; M988-L1048 HydrophobicContact CB-CB 4.49Å; M988-L1048 HydrophobicContact CB-CD1 3.75Å; M988-L1048 CarbonylContact O-C 2.98Å; M988-L1048 WeakPolarHBondContact O-CA 3.1Å; L990-L1048 HydrophobicContact CB-CD1 4.23Å; Y1018-L1048 VanDerWaalsContact CA-O 3.3Å; Y1018-L1048 WeakPolarHBondContact CA-O 3.35Å; L1020-L1048 HydrophobicContact CD1-CD2 4.36Å; L1020-L1048 HydrophobicContact CG-CD2 4.03Å; P1046-L1048 PolarHBondContact O-N 3.05Å; L1048-I1050 HydrophobicContact CD2-CD1 4.42Å; L1048-I1050 HydrophobicContact CD2-CG1 4.28Å; L1048-I1050 HydrophobicContact CG-CG1 4.27Å
1049	H	93.9	Very high	92.3	Very high	22 Å²	22	43.9 Å²	43.9	10%	0.102	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	113.7	173	-59.6	-96.1	0	0	0	108.5	A722 M988 Y989 L990 Y1018 S1047 I1051 L1057	A722-H1049 VanDerWaalsContact CB-CE1 3.44Å; A722-H1049 WeakPolarHBondContact CB-CE1 3.34Å; M988-H1049 PolarHBondContact O-N 2.94Å; Y989-H1049 CarbonylContact C-O 3.55Å; Y989-H1049 WeakPolarHBondContact CA-O 3.49Å; Y989-H1049 HydrophobicContact CD1-CB 3.95Å; Y989-H1049 HydrophobicContact CE1-CB 4.32Å; L990-H1049 PolarHBondContact N-O 3.34Å; Y1018-H1049 AromaticContact CD1-CE1 3.97Å; Y1018-H1049 AromaticContact CD1-ND1 3.54Å; Y1018-H1049 AromaticContact CE1-CE1 3.72Å; Y1018-H1049 AromaticContact CE1-ND1 3.43Å; Y1018-H1049 WeakPolarHBondContact CE1-ND1 3.45Å; S1047-H1049 WeakPolarHBondContact CB-NE2 3.5Å; S1047-H1049 PolarHBondContact OG-NE2 3.33Å; H1049-I1051 HydrophobicContact CB-CG2 4.07Å; H1049-L1057 HydrophobicContact CB-CD1 3.95Å
1050	I	94.9	Very high	92.2	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.2	174	-50.3	-170.6	0	0	0	107.2	L990 I992 L1005 L1017 L1020 L1048	L990-I1050 HydrophobicContact CB-CG1 4.21Å; L990-I1050 HydrophobicContact CB-CG2 4.41Å; L990-I1050 HydrophobicContact CD2-CD1 4.13Å; L990-I1050 HydrophobicContact CD2-CG1 4.26Å; L990-I1050 HydrophobicContact CD2-CG2 4.31Å; L990-I1050 HydrophobicContact CG-CG2 4.26Å; L990-I1050 CarbonylContact O-C 3.55Å; L990-I1050 WeakPolarHBondContact O-CA 3.22Å; I992-I1050 HydrophobicContact CD1-CG2 4.27Å; I992-I1050 HydrophobicContact CG1-CG2 3.99Å; L1005-I1050 HydrophobicContact CD2-CD1 3.96Å; L1005-I1050 HydrophobicContact CD2-CG2 4.29Å; L1017-I1050 HydrophobicContact CB-CB 4.2Å; L1017-I1050 HydrophobicContact CD2-CB 4.24Å; L1017-I1050 HydrophobicContact CD2-CD1 3.81Å; L1017-I1050 HydrophobicContact CD2-CG1 4.46Å; L1017-I1050 HydrophobicContact CD2-CG2 4.36Å; L1017-I1050 HydrophobicContact CG-CB 4.28Å; L1017-I1050 HydrophobicContact CG-CD1 3.98Å; L1017-I1050 HydrophobicContact CG-CG1 4.35Å; L1017-I1050 PolarHBondContact O-N 2.91Å; L1020-I1050 HydrophobicContact CD2-CD1 3.83Å; L1020-I1050 HydrophobicContact CG-CD1 4.31Å; L1048-I1050 HydrophobicContact CD2-CD1 4.42Å; L1048-I1050 HydrophobicContact CD2-CG1 4.28Å; L1048-I1050 HydrophobicContact CG-CG1 4.27Å
1051	I	95.1	Very high	92.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.6	-165.9	66.8	174.9	0	0	0	112.3	Y989 L990 W991 I992 H1049 L1057 F1061	Y989-I1051 HydrophobicContact CD1-CD1 4.24Å; L990-I1051 PolarHBondContact O-N 3.03Å; W991-I1051 WeakPolarHBondContact CA-O 3.27Å; W991-I1051 HydrophobicContact CB-CD1 4.24Å; W991-I1051 HydrophobicContact CB-CG1 3.93Å; W991-I1051 HydrophobicContact CG-CG1 4.47Å; I992-I1051 PolarHBondContact N-O 3.45Å; H1049-I1051 HydrophobicContact CB-CG2 4.07Å; I1051-L1057 HydrophobicContact CG2-CB 3.9Å; I1051-L1057 HydrophobicContact CG2-CD1 4.08Å; I1051-F1061 HydrophobicContact CD1-CB 3.66Å; I1051-F1061 HydrophobicContact CD1-CD2 4.22Å; I1051-F1061 HydrophobicContact CD1-CG 3.97Å
1052	R	94.4	Very high	92.5	Very high	46 Å²	46	38.1 Å²	38.1	17%	0.174	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	161.4	167.1	-67.6	-162	-65.8	-157.2	7.5	111.4	Y1010 A1011 V1013 E1015 E1054 S1055	Y1010-R1052 HydrophobicContact CE2-CB 4.43Å; Y1010-R1052 HydrophobicContact CE2-CG 4.28Å; Y1010-R1052 WeakPolarHBondContact OH-CB 3.37Å; A1011-R1052 PolarHBondContact O-NH1 3Å; V1013-R1052 HydrophobicContact CB-CG 4.15Å; V1013-R1052 HydrophobicContact CG1-CG 4.07Å; V1013-R1052 PolarHBondContact O-NH1 3.17Å; E1015-R1052 IonicContact OE1-CZ 3.94Å; E1015-R1052 IonicContact OE1-NH2 2.79Å; E1015-R1052 PolarHBondContact OE1-NH2 2.96Å; R1052-E1054 PolarHBondContact O-N 2.69Å; R1052-S1055 WeakPolarHBondContact O-CB 3.48Å; R1052-S1055 PolarHBondContact O-N 3.41Å
1053	D	90.3	Very high	92.6	Very high	36 Å²	36	40 Å²	40	19%	0.193	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.3	174.7	-157.3	52.2	0	0	0	114.1	W991 Y1010 K1058	W991-D1053 WeakPolarHBondContact CZ2-OD1 3.48Å; W991-D1053 PolarHBondContact NE1-OD1 2.71Å; Y1010-D1053 WeakPolarHBondContact OH-CB 3.5Å; Y1010-D1053 PolarHBondContact OH-N 2.78Å; D1053-K1058 WeakPolarHBondContact O-CD 3.39Å; D1053-K1058 PolarHBondContact O-NZ 3.19Å; D1053-K1058 VanDerWaalsContact OD1-CE 3.29Å; D1053-K1058 WeakPolarHBondContact OD1-CE 3.42Å; D1053-K1058 IonicContact OD1-NZ 2.72Å; D1053-K1058 PolarHBondContact OD1-NZ 3.32Å; D1053-K1058 IonicContact OD2-NZ 2.83Å; D1053-K1058 PolarHBondContact OD2-NZ 3.37Å
1054	E	91.1	Very high	92.8	Very high	87 Å²	87	40.7 Å²	40.7	41%	0.407	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	4.3	170.6	-61.3	78.9	-168.8	0	0	113.7	R994 Y1010 R1052	R994-E1054 IonicContact CZ-OE1 3.6Å; R994-E1054 IonicContact NE-OE1 3.88Å; R994-E1054 IonicContact NH1-OE1 2.7Å; R994-E1054 PolarHBondContact NH1-OE1 3.32Å; Y1010-E1054 WeakPolarHBondContact CE1-OE2 3.5Å; Y1010-E1054 PolarHBondContact OH-OE2 2.92Å; R1052-E1054 PolarHBondContact O-N 2.69Å
1055	S	91.9	Very high	93.1	Very high	23 Å²	23	39.8 Å²	39.8	16%	0.161	20%	0.197	C	C	.	.			trans	-72.2	141.5	-174.9	-178.9	0	0	0	0	113.9	R1052 L1057 K1058	R1052-S1055 WeakPolarHBondContact O-CB 3.48Å; R1052-S1055 PolarHBondContact O-N 3.41Å; S1055-L1057 PolarHBondContact O-N 3.44Å; S1055-L1057 VanDerWaalsContact O-N 3.08Å; S1055-L1057 PolarHBondContact OG-N 3.24Å; S1055-K1058 VanDerWaalsContact O-CB 3.22Å; S1055-K1058 WeakPolarHBondContact O-CB 3.37Å; S1055-K1058 PolarHBondContact O-N 3.47Å
1056	Q	90.8	Very high	93.3	Very high	169 Å²	169	39 Å²	39	79%	0.79	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.6	170.7	-57.3	-60.2	-28	0	0	113.7	P1059	Q1056-P1059 WeakPolarHBondContact O-CD 3.26Å
1057	L	91.3	Very high	93.4	Very high	53 Å²	53	39.9 Å²	39.9	28%	0.277	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.8	173.2	-66.5	179.2	0	0	0	113.6	Y989 H1049 I1051 S1055 H1060 F1061	Y989-L1057 HydrophobicContact CE1-CB 4.45Å; H1049-L1057 HydrophobicContact CB-CD1 3.95Å; I1051-L1057 HydrophobicContact CG2-CB 3.9Å; I1051-L1057 HydrophobicContact CG2-CD1 4.08Å; S1055-L1057 PolarHBondContact O-N 3.44Å; S1055-L1057 VanDerWaalsContact O-N 3.08Å; S1055-L1057 PolarHBondContact OG-N 3.24Å; L1057-H1060 WeakPolarHBondContact O-CA 3.36Å; L1057-H1060 WeakPolarHBondContact O-CB 3.34Å; L1057-H1060 PolarHBondContact O-N 2.83Å; L1057-F1061 PolarHBondContact O-N 2.86Å
1058	K	92.7	Very high	93.6	Very high	51 Å²	51	41.3 Å²	41.3	22%	0.222	21%	0.205	C	C	.	.	H	α-helix	trans	-55.9	-40.1	177.5	174	173.7	165.3	178.2	0	113.8	D1053 S1055 H1060 F1061 L1062	D1053-K1058 WeakPolarHBondContact O-CD 3.39Å; D1053-K1058 PolarHBondContact O-NZ 3.19Å; D1053-K1058 VanDerWaalsContact OD1-CE 3.29Å; D1053-K1058 WeakPolarHBondContact OD1-CE 3.42Å; D1053-K1058 IonicContact OD1-NZ 2.72Å; D1053-K1058 PolarHBondContact OD1-NZ 3.32Å; D1053-K1058 IonicContact OD2-NZ 2.83Å; D1053-K1058 PolarHBondContact OD2-NZ 3.37Å; S1055-K1058 VanDerWaalsContact O-CB 3.22Å; S1055-K1058 WeakPolarHBondContact O-CB 3.37Å; S1055-K1058 PolarHBondContact O-N 3.47Å; K1058-H1060 VanDerWaalsContact C-N 3.25Å; K1058-H1060 PolarHBondContact O-N 2.81Å; K1058-F1061 PolarHBondContact O-N 3.49Å; K1058-L1062 HydrophobicContact CD-CD1 4.46Å; K1058-L1062 HydrophobicContact CG-CD1 3.8Å; K1058-L1062 HydrophobicContact CG-CG 4.09Å; K1058-L1062 WeakPolarHBondContact O-CB 3.47Å; K1058-L1062 WeakPolarHBondContact O-CG 3.22Å; K1058-L1062 PolarHBondContact O-N 3.09Å
1059	P	92.7	Very high	93.7	Very high	68 Å²	68	49.6 Å²	49.6	44%	0.442	24%	0.236	S	C	.	.	H	α-helix	trans	-60.1	-33.3	173	-25.6	36	0	0	0	113.5	Q1056 Q1063	Q1056-P1059 WeakPolarHBondContact O-CD 3.26Å; P1059-Q1063 WeakPolarHBondContact O-CB 3.46Å; P1059-Q1063 WeakPolarHBondContact O-CG 3.45Å; P1059-Q1063 PolarHBondContact O-N 2.89Å
1060	H	92	Very high	93.4	Very high	78 Å²	78	51 Å²	51	36%	0.361	25%	0.247	S	C	.	.	H	α-helix	trans	-72.9	-37	176.7	-63.5	91.4	0	0	0	111.9	L1057 K1058 N1064	L1057-H1060 WeakPolarHBondContact O-CA 3.36Å; L1057-H1060 WeakPolarHBondContact O-CB 3.34Å; L1057-H1060 PolarHBondContact O-N 2.83Å; K1058-H1060 VanDerWaalsContact C-N 3.25Å; K1058-H1060 PolarHBondContact O-N 2.81Å; H1060-N1064 PolarHBondContact O-ND2 3.24Å
1061	F	95.1	Very high	92.6	Very high	1 Å²	1	60.8 Å²	60.8	0%	0.004	29%	0.292	C	S	.	.	H	α-helix	trans	-63.9	-51	170.4	171.6	-94.5	0	0	0	111.4	L974 L982 Y989 W991 I1051 L1057 K1058 Q1063 N1064 M1065	L974-F1061 HydrophobicContact CD1-CE1 3.62Å; L974-F1061 HydrophobicContact CD1-CZ 4.05Å; L974-F1061 HydrophobicContact CD2-CE1 4.49Å; L974-F1061 HydrophobicContact CD2-CZ 4.08Å; L982-F1061 HydrophobicContact CB-CD2 3.92Å; L982-F1061 HydrophobicContact CB-CE2 3.6Å; L982-F1061 HydrophobicContact CD2-CD2 3.67Å; L982-F1061 HydrophobicContact CD2-CE2 4.04Å; L982-F1061 HydrophobicContact CD2-CG 4.42Å; L982-F1061 HydrophobicContact CG-CD2 4.46Å; L982-F1061 HydrophobicContact CG-CE2 4.43Å; Y989-F1061 HydrophobicContact CG-CB 4.46Å; Y989-F1061 HydrophobicContact CG-CD2 4.29Å; W991-F1061 HydrophobicContact CB-CD2 4.3Å; W991-F1061 HydrophobicContact CB-CE1 4.05Å; W991-F1061 HydrophobicContact CB-CE2 3.79Å; W991-F1061 HydrophobicContact CB-CZ 3.65Å; W991-F1061 HydrophobicContact CG-CE1 4.09Å; W991-F1061 HydrophobicContact CG-CZ 4.13Å; I1051-F1061 HydrophobicContact CD1-CB 3.66Å; I1051-F1061 HydrophobicContact CD1-CD2 4.22Å; I1051-F1061 HydrophobicContact CD1-CG 3.97Å; L1057-F1061 PolarHBondContact O-N 2.86Å; K1058-F1061 PolarHBondContact O-N 3.49Å; F1061-Q1063 VanDerWaalsContact C-N 3.3Å; F1061-Q1063 PolarHBondContact O-N 2.72Å; F1061-N1064 WeakPolarHBondContact O-CB 3.29Å; F1061-N1064 PolarHBondContact O-N 2.79Å; F1061-M1065 HydrophobicContact CE1-CE 4.33Å; F1061-M1065 HydrophobicContact CE2-CE 4.46Å; F1061-M1065 HydrophobicContact CZ-CE 4.17Å
1062	L	94.6	Very high	91.8	Very high	62 Å²	62	62.8 Å²	62.8	33%	0.325	31%	0.306	S	S	.	.	H	α-helix	trans	-64.6	-29.4	-179.1	-68	177.4	0	0	0	113.5	V971 K1058 N1064 M1065	V971-L1062 HydrophobicContact CG1-CD2 3.65Å; K1058-L1062 HydrophobicContact CD-CD1 4.46Å; K1058-L1062 HydrophobicContact CG-CD1 3.8Å; K1058-L1062 HydrophobicContact CG-CG 4.09Å; K1058-L1062 WeakPolarHBondContact O-CB 3.47Å; K1058-L1062 WeakPolarHBondContact O-CG 3.22Å; K1058-L1062 PolarHBondContact O-N 3.09Å; L1062-N1064 PolarHBondContact O-N 2.82Å; L1062-N1064 VanDerWaalsContact O-N 3.09Å; L1062-M1065 HydrophobicContact CD2-CG 4.25Å; L1062-M1065 WeakPolarHBondContact O-CB 3.34Å; L1062-M1065 PolarHBondContact O-N 2.94Å
1063	Q	92.8	Very high	91.6	Very high	64 Å²	64	61.5 Å²	61.5	30%	0.299	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-14.5	171.7	-81.2	167.7	28.9	0	0	114.1	P1059 F1061	P1059-Q1063 WeakPolarHBondContact O-CB 3.46Å; P1059-Q1063 WeakPolarHBondContact O-CG 3.45Å; P1059-Q1063 PolarHBondContact O-N 2.89Å; F1061-Q1063 VanDerWaalsContact C-N 3.3Å; F1061-Q1063 PolarHBondContact O-N 2.72Å
1064	N	95	Very high	91.8	Very high	39 Å²	39	63 Å²	63	21%	0.209	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-2.6	173.8	-67.2	-84.4	0	0	0	113.4	P940 L982 H1060 F1061 L1062 I1066	P940-N1064 HydrophobicContact CG-CB 4.22Å; L982-N1064 HydrophobicContact CD1-CB 4.45Å; L982-N1064 HydrophobicContact CD2-CB 3.57Å; H1060-N1064 PolarHBondContact O-ND2 3.24Å; F1061-N1064 WeakPolarHBondContact O-CB 3.29Å; F1061-N1064 PolarHBondContact O-N 2.79Å; L1062-N1064 PolarHBondContact O-N 2.82Å; L1062-N1064 VanDerWaalsContact O-N 3.09Å; N1064-I1066 PolarHBondContact O-N 2.97Å
1065	M	96.1	Very high	92.1	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.015	30%	0.301	C	S	.	.			trans	-78	70.2	169.9	-58.3	-62	112.6	0	0	109.3	L942 L969 V971 L974 L982 F1061 L1062 E1067 D1068	L942-M1065 HydrophobicContact CD2-CE 4.49Å; L942-M1065 HydrophobicContact CD2-SD 4.4Å; L969-M1065 HydrophobicContact CD2-CE 4.24Å; L969-M1065 CarbonylContact O-C 3.58Å; L969-M1065 WeakPolarHBondContact O-CA 3.42Å; V971-M1065 HydrophobicContact CG1-CG 4.24Å; L974-M1065 HydrophobicContact CD1-SD 4.3Å; L982-M1065 HydrophobicContact CD1-CE 3.98Å; L982-M1065 HydrophobicContact CD2-CE 4.13Å; F1061-M1065 HydrophobicContact CE1-CE 4.33Å; F1061-M1065 HydrophobicContact CE2-CE 4.46Å; F1061-M1065 HydrophobicContact CZ-CE 4.17Å; L1062-M1065 HydrophobicContact CD2-CG 4.25Å; L1062-M1065 WeakPolarHBondContact O-CB 3.34Å; L1062-M1065 PolarHBondContact O-N 2.94Å; M1065-E1067 PolarHBondContact O-N 2.72Å; M1065-E1067 VanDerWaalsContact O-N 3.17Å; M1065-D1068 VanDerWaalsContact CB-OD2 3.27Å; M1065-D1068 WeakPolarHBondContact CB-OD2 3.45Å; M1065-D1068 PolarHBondContact O-N 3.06Å; M1065-D1068 VanDerWaalsContact O-N 3.14Å
1066	I	95.3	Very high	92.3	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.031	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.4	-169.3	59.5	162.6	0	0	0	114.6	L897 A901 K904 L969 N1064	L897-I1066 HydrophobicContact CD1-CD1 4.05Å; A901-I1066 HydrophobicContact CB-CD1 3.42Å; A901-I1066 VanDerWaalsContact CB-CD1 3.42Å; K904-I1066 HydrophobicContact CB-CG2 4.35Å; K904-I1066 HydrophobicContact CD-CB 4.22Å; K904-I1066 HydrophobicContact CD-CG2 4.43Å; K904-I1066 PolarHBondContact NZ-O 2.9Å; L969-I1066 HydrophobicContact CB-CG1 3.7Å; L969-I1066 HydrophobicContact CD1-CD1 3.86Å; L969-I1066 HydrophobicContact CD1-CG1 3.65Å; L969-I1066 HydrophobicContact CG-CG1 4.31Å; L969-I1066 PolarHBondContact O-N 2.95Å; L969-I1066 VanDerWaalsContact O-N 3.17Å; N1064-I1066 PolarHBondContact O-N 2.97Å
1067	E	96.1	Very high	92.6	Very high	18 Å²	18	58.3 Å²	58.3	8%	0.084	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-21.9	177.9	-69.4	171.7	-107.4	0	0	111.6	L897 Q968 L969 M1065 S1075 Y1076	L897-E1067 HydrophobicContact CD1-CG 3.56Å; Q968-E1067 WeakPolarHBondContact CA-OE1 3.3Å; Q968-E1067 WeakPolarHBondContact CB-OE1 3.44Å; Q968-E1067 PolarHBondContact NE2-OE2 3.5Å; L969-E1067 PolarHBondContact N-OE1 3.3Å; L969-E1067 WeakPolarHBondContact O-CB 3.49Å; L969-E1067 PolarHBondContact O-N 2.96Å; M1065-E1067 PolarHBondContact O-N 2.72Å; M1065-E1067 VanDerWaalsContact O-N 3.17Å; E1067-S1075 CarbonylContact O-C 3.58Å; E1067-S1075 VanDerWaalsContact O-CA 3.31Å; E1067-S1075 WeakPolarHBondContact O-CA 3.47Å; E1067-S1075 WeakPolarHBondContact O-CB 3.37Å; E1067-Y1076 PolarHBondContact O-N 3.47Å
1068	D	96.1	Very high	92.9	Very high	33 Å²	33	58.1 Å²	58.1	18%	0.176	28%	0.283	C	S	.	.	S	Bend	trans	-80.8	156.3	-177.5	-62.2	-32.6	0	0	0	113.4	K904 S970 V971 M1065	K904-D1068 PolarHBondContact NZ-O 3.14Å; S970-D1068 WeakPolarHBondContact CA-OD1 3.28Å; S970-D1068 WeakPolarHBondContact CA-OD2 3.46Å; S970-D1068 VanDerWaalsContact CB-OD1 3.26Å; S970-D1068 WeakPolarHBondContact CB-OD1 3.47Å; S970-D1068 PolarHBondContact OG-OD1 2.67Å; V971-D1068 WeakPolarHBondContact CG1-OD2 3.15Å; V971-D1068 WeakPolarHBondContact CG2-OD2 3.07Å; V971-D1068 PolarHBondContact N-OD2 3.02Å; M1065-D1068 VanDerWaalsContact CB-OD2 3.27Å; M1065-D1068 WeakPolarHBondContact CB-OD2 3.45Å; M1065-D1068 PolarHBondContact O-N 3.06Å; M1065-D1068 VanDerWaalsContact O-N 3.14Å
1069	R	94.9	Very high	93.1	Very high	177 Å²	177	56 Å²	56	67%	0.668	27%	0.274	S	S	*	.			trans	-71.9	139.8	172.8	-176.3	173.3	171.3	158.8	-10.9	110.4	E1078	R1069-E1078 WeakPolarHBondContact CD-OE1 3.44Å; R1069-E1078 WeakPolarHBondContact CD-OE2 3.06Å; R1069-E1078 IonicContact CZ-OE1 3.41Å; R1069-E1078 IonicContact NE-OE1 3.64Å; R1069-E1078 IonicContact NH1-OE1 3.62Å; R1069-E1078 PolarHBondContact NH1-OE1 2.94Å
1070	T	87.1	Confident	93.3	Very high	52 Å²	52	52.9 Å²	52.9	32%	0.319	25%	0.254	S	S	.	.			trans	-122.7	169.6	172.2	60.4	0	0	0	0	109.9	S1072 A1073	T1070-S1072 PolarHBondContact O-N 2.83Å; T1070-A1073 PolarHBondContact N-O 3.26Å; T1070-A1073 WeakPolarHBondContact OG1-CA 3.28Å; T1070-A1073 WeakPolarHBondContact OG1-CB 3.23Å; T1070-A1073 PolarHBondContact OG1-N 3.03Å; T1070-A1073 VanDerWaalsContact OG1-N 3.1Å; T1070-A1073 PolarHBondContact OG1-O 2.96Å
1071	E	78.6	Confident	93.6	Very high	208 Å²	208	51.6 Å²	51.6	97%	0.972	25%	0.249	S	C	*	.	S	Bend	trans	-57.7	-34.6	-179.9	-63	178.1	169.1	0	0	113.1
1072	S	79.3	Confident	93.6	Very high	44 Å²	44	54.6 Å²	54.6	31%	0.308	26%	0.263	S	S	.	.	S	Bend	trans	-116.4	-0.2	-174.2	63.4	0	0	0	0	115.4	T910 T1070	T910-S1072 VanDerWaalsContact O-CB 3.28Å; T910-S1072 WeakPolarHBondContact O-CB 3.4Å; T910-S1072 PolarHBondContact O-OG 2.76Å; T1070-S1072 PolarHBondContact O-N 2.83Å
1073	A	89.3	Confident	93.7	Very high	20 Å²	20	51.6 Å²	51.6	17%	0.165	25%	0.247	C	C	.	.	S	Bend	trans	-148.2	140.2	178.2	0	0	0	0	0	113.2	K904 T1070	K904-A1073 HydrophobicContact CG-CB 4.14Å; T1070-A1073 PolarHBondContact N-O 3.26Å; T1070-A1073 WeakPolarHBondContact OG1-CA 3.28Å; T1070-A1073 WeakPolarHBondContact OG1-CB 3.23Å; T1070-A1073 PolarHBondContact OG1-N 3.03Å; T1070-A1073 VanDerWaalsContact OG1-N 3.1Å; T1070-A1073 PolarHBondContact OG1-O 2.96Å
1074	L	95.6	Very high	93.9	Very high	67 Å²	67	51 Å²	51	35%	0.351	25%	0.245	S	C	.	.			trans	-55.6	151.2	-178.4	-56.4	-178.5	0	0	0	113.1	K904 E1078 F1079 H1082	K904-L1074 VanDerWaalsContact CE-O 3.22Å; K904-L1074 WeakPolarHBondContact CE-O 3.45Å; K904-L1074 PolarHBondContact NZ-O 2.97Å; L1074-E1078 HydrophobicContact CB-CB 3.92Å; L1074-E1078 HydrophobicContact CD1-CB 4.49Å; L1074-E1078 HydrophobicContact CD2-CB 4.17Å; L1074-E1078 HydrophobicContact CG-CB 4.41Å; L1074-F1079 HydrophobicContact CB-CB 4.36Å; L1074-F1079 HydrophobicContact CD1-CB 4.42Å; L1074-F1079 HydrophobicContact CD1-CD2 4.42Å; L1074-H1082 HydrophobicContact CD1-CB 4.2Å
1075	S	96.9	Very high	93.9	Very high	20 Å²	20	54.8 Å²	54.8	14%	0.14	26%	0.261	C	S	.	.			trans	-65	167.9	158.8	59.9	0	0	0	0	111.5	E1067 Y1077 E1078 F1079	E1067-S1075 CarbonylContact O-C 3.58Å; E1067-S1075 VanDerWaalsContact O-CA 3.31Å; E1067-S1075 WeakPolarHBondContact O-CA 3.47Å; E1067-S1075 WeakPolarHBondContact O-CB 3.37Å; S1075-Y1077 VanDerWaalsContact C-N 3.35Å; S1075-Y1077 PolarHBondContact O-N 3.47Å; S1075-E1078 WeakPolarHBondContact CB-OE2 3.27Å; S1075-E1078 PolarHBondContact N-OE2 2.91Å; S1075-E1078 PolarHBondContact O-N 3.24Å; S1075-E1078 WeakPolarHBondContact OG-CB 2.99Å; S1075-E1078 VanDerWaalsContact OG-CD 3.25Å; S1075-E1078 VanDerWaalsContact OG-CG 3.25Å; S1075-E1078 WeakPolarHBondContact OG-CG 3.29Å; S1075-E1078 PolarHBondContact OG-N 3.18Å; S1075-E1078 PolarHBondContact OG-OE2 3.24Å; S1075-F1079 WeakPolarHBondContact O-CB 3.33Å; S1075-F1079 PolarHBondContact O-N 3.41Å
1076	Y	96.9	Very high	93.8	Very high	20 Å²	20	57.5 Å²	57.5	8%	0.078	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-43.9	175.1	-176.4	-121.1	0	0	0	112.3	L354 P896 L897 L900 E1067 F1079 L1080	L354-Y1076 HydrophobicContact CD1-CE1 3.63Å; L354-Y1076 WeakPolarHBondContact CD1-OH 3.25Å; P896-Y1076 HydrophobicContact CB-CE2 4.2Å; L897-Y1076 HydrophobicContact CB-CD2 4.33Å; L897-Y1076 HydrophobicContact CB-CE2 3.74Å; L897-Y1076 HydrophobicContact CD1-CD2 3.94Å; L897-Y1076 HydrophobicContact CD1-CE2 4.18Å; L897-Y1076 HydrophobicContact CD1-CG 4.3Å; L900-Y1076 VanDerWaalsContact CD2-CA 3.48Å; L900-Y1076 HydrophobicContact CD2-CD2 4.05Å; E1067-Y1076 PolarHBondContact O-N 3.47Å; Y1076-F1079 PolarHBondContact O-N 2.95Å; Y1076-L1080 HydrophobicContact CD1-CD1 4.15Å; Y1076-L1080 HydrophobicContact CD2-CG 4.38Å; Y1076-L1080 HydrophobicContact CE1-CD1 3.61Å; Y1076-L1080 HydrophobicContact CE1-CG 4.19Å; Y1076-L1080 HydrophobicContact CE2-CD1 4.29Å; Y1076-L1080 HydrophobicContact CE2-CD2 3.87Å; Y1076-L1080 HydrophobicContact CE2-CG 3.99Å; Y1076-L1080 WeakPolarHBondContact O-CG 3.5Å; Y1076-L1080 PolarHBondContact O-N 3.02Å
1077	Y	96.3	Very high	93.6	Very high	141 Å²	141	58.2 Å²	58.2	55%	0.553	28%	0.277	S	S	*	.	H	α-helix	trans	-62.6	-45.1	177.2	-178.8	-107.2	0	0	0	112.6	L349 S1075 F1079 L1080 L1081	L349-Y1077 HydrophobicContact CD2-CD2 4.38Å; L349-Y1077 HydrophobicContact CD2-CE2 4.12Å; S1075-Y1077 VanDerWaalsContact C-N 3.35Å; S1075-Y1077 PolarHBondContact O-N 3.47Å; Y1077-F1079 VanDerWaalsContact C-N 3.32Å; Y1077-F1079 PolarHBondContact O-N 3.17Å; Y1077-L1080 PolarHBondContact O-N 2.67Å; Y1077-L1081 HydrophobicContact CD1-CD1 4.04Å; Y1077-L1081 HydrophobicContact CE1-CD1 3.52Å; Y1077-L1081 HydrophobicContact CE1-CG 4.26Å; Y1077-L1081 WeakPolarHBondContact O-CG 3.09Å; Y1077-L1081 PolarHBondContact O-N 2.93Å
1078	E	97.3	Very high	93.1	Very high	49 Å²	49	61.5 Å²	61.5	23%	0.229	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-35.4	175.5	-70.3	163.8	134.5	0	0	112.3	R1069 L1074 S1075 L1081 H1082	R1069-E1078 WeakPolarHBondContact CD-OE1 3.44Å; R1069-E1078 WeakPolarHBondContact CD-OE2 3.06Å; R1069-E1078 IonicContact CZ-OE1 3.41Å; R1069-E1078 IonicContact NE-OE1 3.64Å; R1069-E1078 IonicContact NH1-OE1 3.62Å; R1069-E1078 PolarHBondContact NH1-OE1 2.94Å; L1074-E1078 HydrophobicContact CB-CB 3.92Å; L1074-E1078 HydrophobicContact CD1-CB 4.49Å; L1074-E1078 HydrophobicContact CD2-CB 4.17Å; L1074-E1078 HydrophobicContact CG-CB 4.41Å; S1075-E1078 WeakPolarHBondContact CB-OE2 3.27Å; S1075-E1078 PolarHBondContact N-OE2 2.91Å; S1075-E1078 PolarHBondContact O-N 3.24Å; S1075-E1078 WeakPolarHBondContact OG-CB 2.99Å; S1075-E1078 VanDerWaalsContact OG-CD 3.25Å; S1075-E1078 VanDerWaalsContact OG-CG 3.25Å; S1075-E1078 WeakPolarHBondContact OG-CG 3.29Å; S1075-E1078 PolarHBondContact OG-N 3.18Å; S1075-E1078 PolarHBondContact OG-OE2 3.24Å; E1078-L1081 PolarHBondContact O-N 3.27Å; E1078-H1082 PolarHBondContact O-N 3.01Å
1079	F	97.7	Very high	92.5	Very high	7 Å²	7	69.6 Å²	69.6	3%	0.031	34%	0.336	C	S	.	.	H	α-helix	trans	-68.1	-40.9	175	-175.5	-113.2	0	0	0	112.1	T864 P896 I899 L900 L903 L1074 S1075 Y1076 Y1077 H1082 L1083	T864-F1079 HydrophobicContact CG2-CE2 4.07Å; T864-F1079 HydrophobicContact CG2-CZ 4.37Å; P896-F1079 HydrophobicContact CB-CE1 4.23Å; P896-F1079 VanDerWaalsContact O-CE1 3.3Å; P896-F1079 WeakPolarHBondContact O-CE1 3.18Å; I899-F1079 HydrophobicContact CG2-CE1 4.34Å; I899-F1079 HydrophobicContact CG2-CZ 3.85Å; L900-F1079 HydrophobicContact CB-CD1 3.94Å; L900-F1079 HydrophobicContact CB-CE1 4.19Å; L900-F1079 HydrophobicContact CB-CG 4.39Å; L900-F1079 HydrophobicContact CD1-CB 4.29Å; L900-F1079 HydrophobicContact CD1-CD2 4.42Å; L900-F1079 HydrophobicContact CD1-CG 4.19Å; L900-F1079 HydrophobicContact CD2-CB 4.15Å; L903-F1079 HydrophobicContact CD1-CE2 3.87Å; L903-F1079 HydrophobicContact CD1-CZ 4.11Å; L1074-F1079 HydrophobicContact CB-CB 4.36Å; L1074-F1079 HydrophobicContact CD1-CB 4.42Å; L1074-F1079 HydrophobicContact CD1-CD2 4.42Å; S1075-F1079 WeakPolarHBondContact O-CB 3.33Å; S1075-F1079 PolarHBondContact O-N 3.41Å; Y1076-F1079 PolarHBondContact O-N 2.95Å; Y1077-F1079 VanDerWaalsContact C-N 3.32Å; Y1077-F1079 PolarHBondContact O-N 3.17Å; F1079-H1082 WeakPolarHBondContact O-CB 3.32Å; F1079-H1082 PolarHBondContact O-N 3.32Å; F1079-L1083 HydrophobicContact CD1-CD1 4.1Å; F1079-L1083 HydrophobicContact CD1-CG 4.45Å; F1079-L1083 HydrophobicContact CE1-CD1 3.69Å; F1079-L1083 HydrophobicContact CE1-CD2 4.45Å; F1079-L1083 HydrophobicContact CE1-CG 4.13Å; F1079-L1083 HydrophobicContact CE2-CD2 4.46Å; F1079-L1083 HydrophobicContact CZ-CD1 4.15Å; F1079-L1083 HydrophobicContact CZ-CD2 4.06Å; F1079-L1083 HydrophobicContact CZ-CG 4.17Å; F1079-L1083 WeakPolarHBondContact O-CG 3.35Å; F1079-L1083 PolarHBondContact O-N 2.96Å
1080	L	97.2	Very high	92.4	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-63.2	-40.3	172.9	-68.1	-178.1	0	0	0	112.2	L348 L349 L886 P896 Y1076 Y1077 H1082 L1083 Q1084	L348-L1080 HydrophobicContact CB-CD1 3.84Å; L348-L1080 HydrophobicContact CB-CD2 4.05Å; L348-L1080 HydrophobicContact CD1-CD2 4.06Å; L348-L1080 WeakPolarHBondContact O-CD1 3.46Å; L349-L1080 HydrophobicContact CD2-CB 3.7Å; L349-L1080 HydrophobicContact CD2-CD1 4.4Å; L886-L1080 HydrophobicContact CD2-CB 3.99Å; L886-L1080 HydrophobicContact CD2-CD2 3.74Å; L886-L1080 HydrophobicContact CD2-CG 4.42Å; L886-L1080 WeakPolarHBondContact CD2-O 3.18Å; P896-L1080 HydrophobicContact CB-CD2 3.75Å; P896-L1080 HydrophobicContact CG-CD2 4.26Å; Y1076-L1080 HydrophobicContact CD1-CD1 4.15Å; Y1076-L1080 HydrophobicContact CD2-CG 4.38Å; Y1076-L1080 HydrophobicContact CE1-CD1 3.61Å; Y1076-L1080 HydrophobicContact CE1-CG 4.19Å; Y1076-L1080 HydrophobicContact CE2-CD1 4.29Å; Y1076-L1080 HydrophobicContact CE2-CD2 3.87Å; Y1076-L1080 HydrophobicContact CE2-CG 3.99Å; Y1076-L1080 WeakPolarHBondContact O-CG 3.5Å; Y1076-L1080 PolarHBondContact O-N 3.02Å; Y1077-L1080 PolarHBondContact O-N 2.67Å; L1080-H1082 VanDerWaalsContact C-N 3.33Å; L1080-L1083 HydrophobicContact CD2-CD1 4.47Å; L1080-L1083 PolarHBondContact O-N 2.83Å; L1080-Q1084 WeakPolarHBondContact O-CB 3.19Å; L1080-Q1084 PolarHBondContact O-N 2.57Å
1081	L	96.6	Very high	92.7	Very high	51 Å²	51	64.9 Å²	64.9	27%	0.267	32%	0.32	S	S	.	.	H	α-helix	trans	-62.9	-39.5	172.5	-71.2	177.4	0	0	0	111.9	L349 Y1077 E1078 Q1084 Q1085	L349-L1081 HydrophobicContact CD2-CD2 3.93Å; L349-L1081 HydrophobicContact CD2-CG 4.28Å; Y1077-L1081 HydrophobicContact CD1-CD1 4.04Å; Y1077-L1081 HydrophobicContact CE1-CD1 3.52Å; Y1077-L1081 HydrophobicContact CE1-CG 4.26Å; Y1077-L1081 WeakPolarHBondContact O-CG 3.09Å; Y1077-L1081 PolarHBondContact O-N 2.93Å; E1078-L1081 PolarHBondContact O-N 3.27Å; L1081-Q1084 PolarHBondContact O-N 2.7Å; L1081-Q1085 WeakPolarHBondContact O-CB 3.45Å; L1081-Q1085 VanDerWaalsContact O-CG 3.27Å; L1081-Q1085 WeakPolarHBondContact O-CG 3.26Å; L1081-Q1085 PolarHBondContact O-N 3.38Å
1082	H	96.8	Very high	93.4	Very high	63 Å²	63	56.9 Å²	56.9	29%	0.292	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-50.1	173.4	-176.8	86.4	0	0	0	111.4	L1074 E1078 F1079 L1080 Q1084 Q1085 Q1086	L1074-H1082 HydrophobicContact CD1-CB 4.2Å; E1078-H1082 PolarHBondContact O-N 3.01Å; F1079-H1082 WeakPolarHBondContact O-CB 3.32Å; F1079-H1082 PolarHBondContact O-N 3.32Å; L1080-H1082 VanDerWaalsContact C-N 3.33Å; H1082-Q1084 VanDerWaalsContact C-N 3.33Å; H1082-Q1084 PolarHBondContact O-N 2.83Å; H1082-Q1085 PolarHBondContact O-N 3.15Å; H1082-Q1085 VanDerWaalsContact O-N 3.16Å; H1082-Q1086 PolarHBondContact CE1-NE2 2.86Å; H1082-Q1086 VanDerWaalsContact CE1-NE2 3.25Å; H1082-Q1086 PolarHBondContact NE2-NE2 3.01Å; H1082-Q1086 VanDerWaalsContact NE2-NE2 3.18Å; H1082-Q1086 WeakPolarHBondContact O-CG 3.45Å; H1082-Q1086 PolarHBondContact O-N 3.4Å
1083	L	96.8	Very high	94.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.5	-45.3	176.3	-67.8	178.7	0	0	0	111.5	T864 A867 I868 L886 P896 F1079 L1080 Q1085 Q1086 I1087	T864-L1083 HydrophobicContact CG2-CD2 4.28Å; A867-L1083 HydrophobicContact CB-CD1 4.24Å; A867-L1083 HydrophobicContact CB-CD2 4.03Å; I868-L1083 HydrophobicContact CD1-CD2 4.27Å; I868-L1083 HydrophobicContact CG1-CD2 3.5Å; L886-L1083 HydrophobicContact CD2-CB 4.12Å; P896-L1083 HydrophobicContact CB-CD1 3.7Å; P896-L1083 HydrophobicContact CG-CD1 3.93Å; F1079-L1083 HydrophobicContact CD1-CD1 4.1Å; F1079-L1083 HydrophobicContact CD1-CG 4.45Å; F1079-L1083 HydrophobicContact CE1-CD1 3.69Å; F1079-L1083 HydrophobicContact CE1-CD2 4.45Å; F1079-L1083 HydrophobicContact CE1-CG 4.13Å; F1079-L1083 HydrophobicContact CE2-CD2 4.46Å; F1079-L1083 HydrophobicContact CZ-CD1 4.15Å; F1079-L1083 HydrophobicContact CZ-CD2 4.06Å; F1079-L1083 HydrophobicContact CZ-CG 4.17Å; F1079-L1083 WeakPolarHBondContact O-CG 3.35Å; F1079-L1083 PolarHBondContact O-N 2.96Å; L1080-L1083 HydrophobicContact CD2-CD1 4.47Å; L1080-L1083 PolarHBondContact O-N 2.83Å; L1083-Q1085 VanDerWaalsContact C-N 3.34Å; L1083-Q1085 PolarHBondContact O-N 3.25Å; L1083-Q1086 PolarHBondContact O-N 3.19Å; L1083-I1087 HydrophobicContact CB-CD1 4.45Å; L1083-I1087 WeakPolarHBondContact O-CB 3.39Å; L1083-I1087 WeakPolarHBondContact O-CD1 3.46Å; L1083-I1087 VanDerWaalsContact O-CG1 3.22Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.33Å; L1083-I1087 PolarHBondContact O-N 3.15Å
1084	Q	95.2	Very high	94.6	Very high	51 Å²	51	60.1 Å²	60.1	24%	0.238	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-43.8	176.4	-168.9	-171.3	21	0	0	111.9	L349 L886 L1080 L1081 H1082 Q1086 I1087 S1088	L349-Q1084 HydrophobicContact CD1-CG 4.44Å; L349-Q1084 VanDerWaalsContact CD1-OE1 3.23Å; L886-Q1084 HydrophobicContact CB-CB 4.43Å; L1080-Q1084 WeakPolarHBondContact O-CB 3.19Å; L1080-Q1084 PolarHBondContact O-N 2.57Å; L1081-Q1084 PolarHBondContact O-N 2.7Å; H1082-Q1084 VanDerWaalsContact C-N 3.33Å; H1082-Q1084 PolarHBondContact O-N 2.83Å; Q1084-Q1086 VanDerWaalsContact C-N 3.32Å; Q1084-Q1086 PolarHBondContact O-N 3.14Å; Q1084-I1087 PolarHBondContact O-N 3.28Å; Q1084-S1088 WeakPolarHBondContact O-CB 3.42Å; Q1084-S1088 PolarHBondContact O-N 3.35Å; Q1084-S1088 PolarHBondContact O-OG 3.37Å
1085	Q	94.8	Very high	94.5	Very high	118 Å²	118	59.6 Å²	59.6	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-64.5	-31.8	177.7	-74.8	172.8	11.7	0	0	113.4	L1081 H1082 L1083 K1089	L1081-Q1085 WeakPolarHBondContact O-CB 3.45Å; L1081-Q1085 VanDerWaalsContact O-CG 3.27Å; L1081-Q1085 WeakPolarHBondContact O-CG 3.26Å; L1081-Q1085 PolarHBondContact O-N 3.38Å; H1082-Q1085 PolarHBondContact O-N 3.15Å; H1082-Q1085 VanDerWaalsContact O-N 3.16Å; L1083-Q1085 VanDerWaalsContact C-N 3.34Å; L1083-Q1085 PolarHBondContact O-N 3.25Å; Q1085-K1089 WeakPolarHBondContact O-CE 3.38Å; Q1085-K1089 WeakPolarHBondContact O-CG 3.39Å
1086	Q	94.3	Very high	94.3	Very high	61 Å²	61	62.4 Å²	62.4	29%	0.285	30%	0.295	S	S	.	.	H	α-helix	trans	-81	-36.1	176.6	-55.5	-72.3	30.3	0	0	111.9	I868 H1082 L1083 Q1084 S1088 K1089	I868-Q1086 HydrophobicContact CD1-CB 3.64Å; I868-Q1086 HydrophobicContact CD1-CG 3.8Å; I868-Q1086 HydrophobicContact CG1-CB 4.08Å; I868-Q1086 HydrophobicContact CG2-CB 4.16Å; H1082-Q1086 PolarHBondContact CE1-NE2 2.86Å; H1082-Q1086 VanDerWaalsContact CE1-NE2 3.25Å; H1082-Q1086 PolarHBondContact NE2-NE2 3.01Å; H1082-Q1086 VanDerWaalsContact NE2-NE2 3.18Å; H1082-Q1086 WeakPolarHBondContact O-CG 3.45Å; H1082-Q1086 PolarHBondContact O-N 3.4Å; L1083-Q1086 PolarHBondContact O-N 3.19Å; Q1084-Q1086 VanDerWaalsContact C-N 3.32Å; Q1084-Q1086 PolarHBondContact O-N 3.14Å; Q1086-S1088 PolarHBondContact O-N 3.47Å; Q1086-K1089 PolarHBondContact O-N 3.5Å
1087	I	91.9	Very high	94.1	Very high	20 Å²	20	65.7 Å²	65.7	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-70.7	-16.7	175.7	-65.5	164.2	0	0	0	112.1	I868 L871 L886 L1083 Q1084	I868-I1087 HydrophobicContact CB-CG1 4.47Å; I868-I1087 HydrophobicContact CG2-CG1 3.94Å; L871-I1087 HydrophobicContact CB-CD1 3.76Å; L871-I1087 HydrophobicContact CD1-CD1 4.42Å; L886-I1087 HydrophobicContact CD1-CD1 3.62Å; L1083-I1087 HydrophobicContact CB-CD1 4.45Å; L1083-I1087 WeakPolarHBondContact O-CB 3.39Å; L1083-I1087 WeakPolarHBondContact O-CD1 3.46Å; L1083-I1087 VanDerWaalsContact O-CG1 3.22Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.33Å; L1083-I1087 PolarHBondContact O-N 3.15Å; Q1084-I1087 PolarHBondContact O-N 3.28Å
1088	S	86.3	Confident	94	Very high	88 Å²	88	59.4 Å²	59.4	62%	0.615	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	13.4	178.6	-50.3	0	0	0	0	113.9	Q1084 Q1086	Q1084-S1088 WeakPolarHBondContact O-CB 3.42Å; Q1084-S1088 PolarHBondContact O-N 3.35Å; Q1084-S1088 PolarHBondContact O-OG 3.37Å; Q1086-S1088 PolarHBondContact O-N 3.47Å
1089	K	82.8	Confident	93.7	Very high	203 Å²	203	60.4 Å²	60.4	88%	0.883	30%	0.298	S	S	*	.			trans	-109.8	0	174.5	-69.2	170	-170.6	173.3	0	110.7	Q1085 Q1086	Q1085-K1089 WeakPolarHBondContact O-CE 3.38Å; Q1085-K1089 WeakPolarHBondContact O-CG 3.39Å; Q1086-K1089 PolarHBondContact O-N 3.5Å

Retrieved 1,089 of 1,089 residues in 208.8 ms (Link to these results)

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