A0A096MDV3_POEFO Loading...

Rho guanine nucleotide exchange factor 15b

AlphaFold DB , UniProt , Accession A0A096MDV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,051 aa.

						>A0A096MDV3_POEFO|A0A096MDV3
MSVQERSASPLKPEVKPKPEIPPRLLHRTSPSPEGGGSTQGKVKKIAKRFSMQDSSEAAGEQLTNGAAELSPSTQVKKPPETRPKPDSNAPQPEAPPPLPKKRSRFPQRQTESIGEESEGMNIYKRRSAPDGKEVEDQGTGAPEANAEDLLYTALSRCCNKTCTCICHLKRPGMMLIWVPVDEDSPGGEGQTNGEERREEKDVTVQKANQIEAVQREEQEVGGQEEEYESELPAQKKEGELKAAEDKVEKNDSEKKRDDQGEETEAEQPKEVEVNAADGEHQLPQDVLHPVEADGAHGGKVGEKIKEGENEGKGKNGPRDVKTPKSQFHQSLEIALAGGLKKLSDHSPLAAVARCQPSPQKNPQPSPVPSQPPEDDEEGSIYELQLPDADEGARKLSSSRNDLHEVPQIRVHYPARREKPAHGPSDATPELENPTEPPPILPRVPVNGSPVYSSNLSISRVRPQPPKTSPPSSPLLPCRPPPAPPKTHSRRASSVSMQSVNLSEEENKRDGEKEDTDRSPVRRNSSFKLCLTDGPLYQTYSDFAIQKEIHRQTVIRNISKTSMDYAMEFAARFREKTSGKSNENFVARGSPVPAVSQTTLWQQQPTVRDSGLLDQLTVDQIKYQESMFEVLTSESSYLRSLYVLTEHFMENRELTDTIIISDRKTLFSNILKVREVSERFLKDLEEHIFKEIVFPDICDILHYHAQHNFSTYIDYVRNQTYQEKTYSRLMKSNEQFAAVINRLQELPQCQRLPFISFLLLPFQRITRIKMLIENILKRTKEGTPEEQTASKALTSVSKIIDCCNRDVGKMRQMEELIEISKMLEFDKFRAIPIISETRFLEKKGELQEMSKAKTFVNMRAKFSPVYLFLFNDHLLITIKKGSDRYVVMDHTHRSLVQAQPLDECFGGATYENCFNLMMLENHQGRTMERLLKAPTKSDMQRWLAAFPSTTKEDVDEEVIYEDWDCPQVQCVEQYIAQQADELNLEPTEIVNVIRKTNEGWYEGVRLSDGQKGWFPDTNVIEITNEHVRRRNVKERYRVSQATMMVKCGKAR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	29	Very low	234 Å²	234	154.2 Å²	154.2	100%	1.153	85%	0.853	S	S	*	*				0	124.6	0	-51.1	-177.7	85.1	0	0	105.4
2	S	27.8	Very low	29.4	Very low	107 Å²	107	157.8 Å²	157.8	75%	0.748	85%	0.853	S	S	*	*			cis	63	126.3	49.7	-138.6	0	0	0	0	109.6
3	V	28.7	Very low	29.9	Very low	117 Å²	117	155.5 Å²	155.5	71%	0.709	85%	0.852	S	S	*	*			cis	-143.9	122	24.2	169.9	0	0	0	0	107.2
4	Q	29.2	Very low	29.8	Very low	176 Å²	176	157.2 Å²	157.2	82%	0.822	85%	0.851	S	S	*	*				65.8	105.7	86.7	-154.1	-178.9	0.7	0	0	114.8
5	E	25.5	Very low	29.9	Very low	189 Å²	189	154.2 Å²	154.2	88%	0.883	84%	0.84	S	S	*	*			trans	-89.2	143	164.3	-72.9	-168	131.8	0	0	111.7
6	R	26.6	Very low	30.1	Very low	243 Å²	243	156.6 Å²	156.6	92%	0.917	84%	0.84	S	S	*	*			trans	165.9	126.8	135.1	-95	168.3	-175.2	-145.9	0.5	112.7
7	S	26.5	Very low	31	Very low	125 Å²	125	154.9 Å²	154.9	87%	0.874	84%	0.839	S	S	*	*				172	164.6	126.9	45.5	0	0	0	0	113.2
8	A	27.6	Very low	31.2	Very low	89 Å²	89	155.2 Å²	155.2	74%	0.736	83%	0.831	S	S	*	*			trans	77.5	83.1	164.3	0	0	0	0	0	120.5
9	S	28.2	Very low	31.6	Very low	116 Å²	116	153.2 Å²	153.2	81%	0.811	83%	0.827	S	S	*	*				48.6	122.6	124.2	-50.8	0	0	0	0	122.7
10	P	33.1	Very low	31.6	Very low	127 Å²	127	152.8 Å²	152.8	83%	0.825	82%	0.82	S	S	*	*			trans	-87.9	157.4	165.8	36	-33.9	0	0	0	113.9
11	L	29.9	Very low	31.9	Very low	173 Å²	173	153.5 Å²	153.5	91%	0.906	82%	0.822	S	S	*	*			trans	-122.9	166	170	-79.7	168.7	0	0	0	111.2
12	K	33.9	Very low	32.5	Very low	197 Å²	197	147.1 Å²	147.1	86%	0.857	80%	0.798	S	S	*	*			trans	-63.1	159.6	-178	-63.8	179.6	177.4	179.2	0	114.1
13	P	35.9	Very low	34.2	Very low	129 Å²	129	146.6 Å²	146.6	84%	0.838	79%	0.792	S	S	*	*			trans	-133.7	-178.2	131.3	38.4	-27.9	0	0	0	114.3
14	E	27.9	Very low	34.1	Very low	179 Å²	179	152.6 Å²	152.6	84%	0.836	80%	0.801	S	S	*	*			trans	-119.6	141.9	-167.6	-74.4	174.7	72	0	0	115.5
15	V	31.7	Very low	34.1	Very low	112 Å²	112	150.8 Å²	150.8	68%	0.679	80%	0.797	S	S	*	*				45.5	128.3	126.8	-171.9	0	0	0	0	122.2
16	K	33.6	Very low	34.5	Very low	193 Å²	193	148.3 Å²	148.3	84%	0.839	79%	0.789	S	S	*	*			trans	74.9	164.9	157.4	-82.7	170.7	-172.1	174.9	0	117.7
17	P	44.6	Very low	34.7	Very low	128 Å²	128	144.1 Å²	144.1	83%	0.831	78%	0.78	S	S	*	*			cis	-127	-168.6	11.8	42.9	-26.8	0	0	0	117.1
18	K	34.5	Very low	34.8	Very low	160 Å²	160	147.4 Å²	147.4	70%	0.696	77%	0.773	S	S	*	*			trans	-114.8	145.4	-179.7	178.5	-139.9	175.7	-171.3	0	110.5	E20	K18-E20 IonicContact NZ-OE1 2.69Å; K18-E20 PolarHBondContact NZ-OE1 3.42Å
19	P	39.9	Very low	34.8	Very low	117 Å²	117	148.7 Å²	148.7	76%	0.76	77%	0.772	S	S	*	*			trans	-100.2	164.3	168.8	38	-32.7	0	0	0	114.3
20	E	31.4	Very low	34.7	Very low	145 Å²	145	148.6 Å²	148.6	68%	0.678	77%	0.771	S	S	*	*			trans	-169.9	156.8	-175.6	-169.9	170.3	-75.8	0	0	108.6	K18	K18-E20 IonicContact NZ-OE1 2.69Å; K18-E20 PolarHBondContact NZ-OE1 3.42Å
21	I	36.7	Very low	35.4	Very low	168 Å²	168	148.4 Å²	148.4	86%	0.862	77%	0.77	S	S	*	*			trans	-172.5	135.7	148.1	-105.3	156	0	0	0	114.7
22	P	50.3	Low	35.2	Very low	99 Å²	99	145.5 Å²	145.5	64%	0.643	76%	0.764	S	S	*	*			trans	-112	-150.3	172.1	46.1	-36.9	0	0	0	110.5
23	P	62.4	Low	35.9	Very low	96 Å²	96	141.1 Å²	141.1	62%	0.623	76%	0.756	S	S	*	*			cis	-135.1	171.8	-15.9	41.8	-25.7	0	0	0	116.2	L25	P23-L25 HydrophobicContact CG-CD1 4.24Å; P23-L25 HydrophobicContact CG-CG 4.44Å
24	R	26.7	Very low	35.6	Very low	243 Å²	243	143.8 Å²	143.8	92%	0.917	76%	0.757	S	S	*	*			trans	-150.8	109.4	138.6	-99.7	171.6	-164.4	-149.5	2.2	107.8
25	L	30.1	Very low	35.5	Very low	138 Å²	138	139 Å²	139	72%	0.723	76%	0.755	S	S	*	*				70	133	64.2	-62.8	166.9	0	0	0	111.6	P23	P23-L25 HydrophobicContact CG-CD1 4.24Å; P23-L25 HydrophobicContact CG-CG 4.44Å
26	L	32.6	Very low	35.3	Very low	138 Å²	138	137.4 Å²	137.4	72%	0.723	76%	0.762	S	S	*	*			cis	-146.7	-176.3	23.2	-122.6	-175.3	0	0	0	112.5
27	H	30.6	Very low	35	Very low	155 Å²	155	132.1 Å²	132.1	72%	0.718	76%	0.762	S	S	*	*			trans	76	153.4	152.9	-90.4	25	0	0	0	119.3
28	R	29.5	Very low	34.2	Very low	193 Å²	193	131.1 Å²	131.1	73%	0.728	76%	0.758	S	S	*	*			cis	-164.1	145.5	-20.6	-156.8	-167.6	172.4	-162.9	-2.1	113
29	T	27.2	Very low	34.1	Very low	116 Å²	116	129.2 Å²	129.2	71%	0.712	76%	0.76	S	S	*	*			trans	69	141.7	154.5	26.6	0	0	0	0	121.8
30	S	27.1	Very low	33.6	Very low	114 Å²	114	133 Å²	133	80%	0.797	77%	0.768	S	S	*	*			trans	-105.3	-171.4	-173.5	-16.4	0	0	0	0	111.5
31	P	46.3	Very low	33.6	Very low	124 Å²	124	130 Å²	130	81%	0.805	78%	0.776	S	S	*	*			cis	-140	-174.1	22.2	43.3	-22.6	0	0	0	118.3
32	S	26.9	Very low	33.4	Very low	111 Å²	111	131.7 Å²	131.7	78%	0.776	78%	0.777	S	S	*	*			trans	-74.8	-164.8	174	-43	0	0	0	0	113.2
33	P	47.6	Very low	32.5	Very low	106 Å²	106	132.7 Å²	132.7	69%	0.688	78%	0.781	S	S	*	*			cis	-135.4	-157.3	-1	46.6	-26.7	0	0	0	112.9
34	E	29	Very low	31.1	Very low	184 Å²	184	137 Å²	137	86%	0.86	79%	0.79	S	S	*	*			cis	-158.8	170.2	-3	-146.9	155	-76.6	0	0	112.5
35	G	27.2	Very low	31.2	Very low	78 Å²	78	134 Å²	134	80%	0.804	78%	0.783	S	S	*	*			trans	83.2	152.3	157.1	0	0	0	0	0	118.1
36	G	26.9	Very low	31.2	Very low	79 Å²	79	134.2 Å²	134.2	81%	0.814	78%	0.784	S	S	*	*			cis	165.3	112.8	-11.2	0	0	0	0	0	114.5
37	G	27.4	Very low	30.9	Very low	83 Å²	83	132 Å²	132	86%	0.856	79%	0.785	S	S	*	*			trans	66.8	-176.4	174.4	0	0	0	0	0	115.8
38	S	27.1	Very low	30.7	Very low	106 Å²	106	133 Å²	133	74%	0.741	79%	0.787	S	S	*	*			cis	-170	165.4	-32	-166.6	0	0	0	0	108.9
39	T	32.8	Very low	30.6	Very low	120 Å²	120	133.7 Å²	133.7	74%	0.736	79%	0.79	S	S	*	*			trans	57	122.5	161.8	44.4	0	0	0	0	122.4
40	Q	29.6	Very low	30.7	Very low	197 Å²	197	137.8 Å²	137.8	92%	0.921	80%	0.799	S	S	*	*			trans	22.6	126.6	136.6	-57.9	179.8	-8.7	0	0	121
41	G	31.1	Very low	30.7	Very low	82 Å²	82	137 Å²	137	85%	0.845	79%	0.793	S	S	*	*			trans	-169.2	122.9	167.3	0	0	0	0	0	117.2
42	K	33.2	Very low	29.9	Very low	203 Å²	203	137.7 Å²	137.7	88%	0.883	79%	0.787	S	S	*	*			trans	-63.5	149.4	-179.4	-82.6	174.9	176.5	171.8	0	116.9
43	V	30.5	Very low	29.8	Very low	120 Å²	120	139.5 Å²	139.5	73%	0.727	78%	0.783	S	S	*	*			trans	84.3	114.2	131.8	166.2	0	0	0	0	122.3
44	K	32.8	Very low	28.7	Very low	188 Å²	188	140.1 Å²	140.1	82%	0.817	78%	0.781	S	S	*	*			trans	62.4	137.9	140.7	-71.1	179.5	-177.3	177.4	0	123.5
45	K	30.3	Very low	28.8	Very low	179 Å²	179	136.2 Å²	136.2	78%	0.778	77%	0.774	S	S	*	*			trans	88.7	106.3	143.8	-84.4	-168.4	171.6	-174.5	0	121.8
46	I	28.9	Very low	28.8	Very low	143 Å²	143	137.2 Å²	137.2	73%	0.733	77%	0.769	S	S	*	*				72.5	130.8	119.5	-67.1	172.9	0	0	0	120.4
47	A	25.9	Very low	28.8	Very low	91 Å²	91	142.5 Å²	142.5	75%	0.752	77%	0.772	S	S	*	*			trans	74.5	154.7	154.1	0	0	0	0	0	119.9
48	K	27.5	Very low	29	Very low	175 Å²	175	143 Å²	143	76%	0.761	77%	0.769	S	S	*	*			cis	-171.3	147.8	-36.1	-151.1	179.8	-176.3	171.3	0	108.2
49	R	27.2	Very low	29.3	Very low	208 Å²	208	143.1 Å²	143.1	79%	0.785	78%	0.776	S	S	*	*			trans	62.1	121.9	167.9	-66.2	174.7	172.1	153.7	-6.7	117.7
50	F	28.4	Very low	29	Very low	203 Å²	203	140.5 Å²	140.5	89%	0.89	77%	0.773	S	S	*	*				-179.4	150.1	112.3	-89.5	-65.4	0	0	0	106.3
51	S	28.2	Very low	29.2	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	77%	0.769	S	S	*	*			cis	-145.3	175.7	-14.6	-156.5	0	0	0	0	110.4
52	M	28.5	Very low	29.2	Very low	139 Å²	139	142.9 Å²	142.9	69%	0.685	76%	0.762	S	S	*	*			trans	-32.3	154.4	170.8	-57	-103	53.1	0	0	119
53	Q	26.7	Very low	29	Very low	149 Å²	149	140.6 Å²	140.6	70%	0.696	76%	0.758	S	S	*	*			trans	77.9	150.3	140.3	-76.9	165.7	-78.4	0	0	119.2
54	D	24.5	Very low	29	Very low	119 Å²	119	140.1 Å²	140.1	64%	0.636	76%	0.756	S	S	*	*			cis	-142.6	179.2	4.9	-134.1	-50.2	0	0	0	114.9
55	S	29.1	Very low	28.9	Very low	101 Å²	101	138.9 Å²	138.9	71%	0.706	76%	0.758	S	S	*	*			trans	-57.3	-174.7	174	57.2	0	0	0	0	115.3
56	S	27.6	Very low	28.8	Very low	100 Å²	100	133.8 Å²	133.8	70%	0.699	76%	0.756	S	S	*	*			cis	-167.3	157.4	23.1	60.6	0	0	0	0	114.1
57	E	28.2	Very low	29	Very low	189 Å²	189	132.1 Å²	132.1	88%	0.883	76%	0.764	S	S	*	*			trans	-169	121.4	142.6	-105.6	167.6	-179.9	0	0	106.5
58	A	31.7	Very low	29.2	Very low	95 Å²	95	131.9 Å²	131.9	79%	0.785	76%	0.762	S	S	*	*			cis	79.8	131.7	43.3	0	0	0	0	0	112.9
59	A	31.9	Very low	29.2	Very low	108 Å²	108	131.5 Å²	131.5	89%	0.893	76%	0.763	S	S	*	*			cis	-160	174.5	-7.2	0	0	0	0	0	108.4
60	G	27.9	Very low	29.3	Very low	65 Å²	65	128 Å²	128	67%	0.67	76%	0.759	S	S	*	*			cis	170.2	-166.2	-0.1	0	0	0	0	0	111.9
61	E	32.4	Very low	29.4	Very low	179 Å²	179	123 Å²	123	84%	0.836	75%	0.75	S	S	*	*			trans	67.5	143.6	165.9	-62.6	-162.8	172.7	0	0	118.5
62	Q	30.8	Very low	30.1	Very low	149 Å²	149	123.8 Å²	123.8	70%	0.696	75%	0.752	S	S	*	*			cis	-138	140.1	3.4	-103.6	145.7	45.5	0	0	108.6
63	L	31	Very low	30.2	Very low	156 Å²	156	121.8 Å²	121.8	82%	0.817	75%	0.752	S	S	*	*				54	130.5	94.1	-64.9	177.1	0	0	0	115
64	T	29.3	Very low	30.3	Very low	110 Å²	110	120.1 Å²	120.1	68%	0.675	75%	0.752	S	S	*	*			cis	-151.6	152.8	19.2	55.8	0	0	0	0	115.4
65	N	30.4	Very low	30.6	Very low	161 Å²	161	122.3 Å²	122.3	86%	0.861	76%	0.758	S	S	*	*			trans	52.8	139.8	143.8	-54.1	-12.5	0	0	0	122.3
66	G	29.3	Very low	30.7	Very low	72 Å²	72	124 Å²	124	74%	0.742	76%	0.764	S	S	*	*			cis	163.8	152.4	-8.9	0	0	0	0	0	115.2
67	A	32	Very low	31.1	Very low	108 Å²	108	128.5 Å²	128.5	89%	0.893	77%	0.771	S	S	*	*			trans	65.1	145.1	175.1	0	0	0	0	0	116.4
68	A	30.6	Very low	31.3	Very low	86 Å²	86	129.3 Å²	129.3	71%	0.711	77%	0.771	S	S	*	*			cis	-162.8	167.1	9.2	0	0	0	0	0	109.5
69	E	27.9	Very low	32.1	Very low	167 Å²	167	130.1 Å²	130.1	78%	0.78	77%	0.769	S	S	*	*			cis	-162.5	-132.2	-11.1	-136.8	-179.8	80	0	0	113.4
70	L	27.9	Very low	33.3	Very low	136 Å²	136	130.4 Å²	130.4	71%	0.712	76%	0.761	S	S	*	*			trans	-60.1	138.9	-177	-55.5	167.4	0	0	0	114.2
71	S	30.8	Very low	33.3	Very low	98 Å²	98	135.3 Å²	135.3	69%	0.685	77%	0.767	S	S	*	*			cis	78	155	42.8	94.7	0	0	0	0	115.1
72	P	43.8	Very low	33	Very low	113 Å²	113	132.3 Å²	132.3	73%	0.734	76%	0.761	S	S	*	*			cis	-138.9	178.1	-3.4	42.6	-24.7	0	0	0	116.8
73	S	29.9	Very low	32.8	Very low	96 Å²	96	136.5 Å²	136.5	67%	0.671	77%	0.771	S	S	*	*			trans	27.3	142.3	138.2	-160.8	0	0	0	0	121.2
74	T	29.3	Very low	33.3	Very low	115 Å²	115	134.7 Å²	134.7	71%	0.706	77%	0.768	S	S	*	*				-173	151.8	60.5	-49.2	0	0	0	0	115.7
75	Q	31.8	Very low	33.5	Very low	164 Å²	164	138.6 Å²	138.6	77%	0.766	78%	0.775	S	S	*	*			trans	-28.8	156.2	165.8	-46.7	162.9	28.5	0	0	121
76	V	29.6	Very low	34.3	Very low	136 Å²	136	136.2 Å²	136.2	82%	0.824	77%	0.769	S	S	*	*				170	164.2	111.9	157.9	0	0	0	0	111.7
77	K	36.1	Very low	34.2	Very low	195 Å²	195	139.8 Å²	139.8	85%	0.848	77%	0.771	S	S	*	*			trans	-125.1	146.6	-174	-48.4	171.2	-178.8	179.3	0	113.5
78	K	32.1	Very low	34.2	Very low	206 Å²	206	138.8 Å²	138.8	90%	0.896	76%	0.758	S	S	*	*			trans	173	158.2	130.8	-101.8	-177.6	176.1	-173.7	0	115.5
79	P	49.7	Very low	34.1	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	76%	0.762	S	S	*	*			trans	-111.2	-162.3	167.1	45.7	-35.7	0	0	0	111.3
80	P	56.1	Low	34.1	Very low	113 Å²	113	137.6 Å²	137.6	73%	0.734	76%	0.756	S	S	*	*			cis	-132.7	-158.5	-11.1	29.4	-3.5	0	0	0	114.4
81	E	28.8	Very low	35	Very low	169 Å²	169	137 Å²	137	79%	0.79	76%	0.76	S	S	*	*			trans	112	126.8	148.7	-62.8	-155	119.2	0	0	124.1
82	T	26.3	Very low	35.1	Very low	115 Å²	115	140.9 Å²	140.9	71%	0.706	77%	0.767	S	S	*	*			trans	68.5	123.5	142.2	55.7	0	0	0	0	126.7
83	R	25.3	Very low	35.2	Very low	238 Å²	238	141 Å²	141	90%	0.898	77%	0.768	S	S	*	*			trans	64	167.9	139.7	-79	-173.8	177.2	-162	0.2	120.2
84	P	41.3	Very low	35.1	Very low	117 Å²	117	145.6 Å²	145.6	76%	0.76	78%	0.779	S	S	*	*			cis	-133.1	-172.6	-32.2	38.2	-20.1	0	0	0	114.5
85	K	34.4	Very low	35.4	Very low	192 Å²	192	144.7 Å²	144.7	84%	0.835	78%	0.783	S	S	*	*			trans	-85.7	175	156.6	-65.7	-169.7	176.8	-175	0	110.6
86	P	48	Very low	36.5	Very low	112 Å²	112	142.5 Å²	142.5	73%	0.727	78%	0.783	S	S	*	*				-112.6	-160	65.8	42.7	-39.9	0	0	0	111.2
87	D	27.5	Very low	37.4	Very low	146 Å²	146	141.8 Å²	141.8	78%	0.781	78%	0.781	S	S	*	*			cis	-154.3	-176.9	-2.6	-132.4	-33.1	0	0	0	106.8
88	S	30.6	Very low	37.8	Very low	88 Å²	88	138.4 Å²	138.4	62%	0.615	78%	0.779	S	S	*	*			cis	-146.9	-150.1	-8.3	48	0	0	0	0	106.7
89	N	28.5	Very low	37.9	Very low	149 Å²	149	136 Å²	136	80%	0.797	78%	0.775	S	S	*	*			cis	-157	-156.8	5.6	-147.6	-74.1	0	0	0	110.2
90	A	29.3	Very low	37.7	Very low	79 Å²	79	136.6 Å²	136.6	65%	0.653	78%	0.779	S	S	*	*			trans	-141.8	175.5	-174.1	0	0	0	0	0	113
91	P	46.3	Very low	36.5	Very low	124 Å²	124	140.4 Å²	140.4	81%	0.805	78%	0.784	S	S	*	*			cis	-136.1	-171.4	6.7	42.9	-23.9	0	0	0	117.2
92	Q	32.7	Very low	36.5	Very low	179 Å²	179	141.8 Å²	141.8	84%	0.836	79%	0.787	S	S	*	*			trans	-108.4	165	171.9	-75.4	-93.7	-64.4	0	0	110.9
93	P	44.6	Very low	36.6	Very low	115 Å²	115	148 Å²	148	75%	0.747	80%	0.798	S	S	*	*				-158.5	153.6	97.7	39.7	-19.9	0	0	0	119.7
94	E	29.6	Very low	36.5	Very low	193 Å²	193	142 Å²	142	90%	0.902	79%	0.793	S	S	*	*			trans	53.1	177	143.7	-57.8	-165.4	151	0	0	122.8
95	A	34	Very low	35.8	Very low	96 Å²	96	147.9 Å²	147.9	79%	0.793	80%	0.8	S	S	*	*			trans	-145.5	-150.2	-141	0	0	0	0	0	118.9
96	P	55.3	Low	35.6	Very low	118 Å²	118	148.3 Å²	148.3	77%	0.766	80%	0.802	S	S	*	*			trans	-69.2	168.4	-143.4	36.3	-43.2	0	0	0	116.9
97	P	48	Very low	34.9	Very low	121 Å²	121	148.9 Å²	148.9	79%	0.786	81%	0.806	S	S	*	*			cis	-140.3	-152.5	38.1	42	-19.1	0	0	0	113.5
98	P	45.7	Very low	34.8	Very low	123 Å²	123	149.4 Å²	149.4	80%	0.799	80%	0.803	S	S	*	*			cis	-137.5	-146.1	-1.6	44.8	-23.5	0	0	0	115.6
99	L	34.7	Very low	34.5	Very low	155 Å²	155	154 Å²	154	81%	0.812	81%	0.807	S	S	*	*			trans	-128	161.1	175.5	-77.5	170.3	0	0	0	112
100	P	44.5	Very low	34.2	Very low	127 Å²	127	153.9 Å²	153.9	83%	0.825	80%	0.802	S	S	*	*				-139.5	179.6	121	36.7	-23.2	0	0	0	116.5
101	K	31.3	Very low	33.9	Very low	192 Å²	192	155.2 Å²	155.2	84%	0.835	80%	0.802	S	S	*	*			trans	-98.8	171.1	-170.3	-58.6	154.3	-174.5	171.7	0	110.4
102	K	27.9	Very low	32.8	Very low	198 Å²	198	157.2 Å²	157.2	86%	0.861	80%	0.801	S	S	*	*			cis	-160.5	144.1	41	-63.3	168.3	-173.3	170.7	0	107.8
103	R	28.3	Very low	32.5	Very low	247 Å²	247	153.2 Å²	153.2	93%	0.932	79%	0.793	S	S	*	*				89	91.7	52.4	-163.4	-164.7	-164.5	-162.9	7.5	115.7
104	S	24.5	Very low	31.5	Very low	112 Å²	112	155.7 Å²	155.7	78%	0.783	80%	0.798	S	S	*	*			trans	-161.8	105.5	155.8	-162.2	0	0	0	0	108.7
105	R	26.1	Very low	31.3	Very low	239 Å²	239	149.3 Å²	149.3	90%	0.902	78%	0.784	S	S	*	*				72.2	128.2	96.5	-84.2	-168.9	172.3	-173.1	-1.7	116.6
106	F	30.9	Very low	30.9	Very low	202 Å²	202	153.2 Å²	153.2	89%	0.886	79%	0.786	S	S	*	*			trans	-54	161.2	158.9	-79.3	-96.4	0	0	0	111.7
107	P	31.6	Very low	29.4	Very low	124 Å²	124	156.2 Å²	156.2	81%	0.805	79%	0.79	S	S	*	*				-136.6	142.5	106.3	38.2	-28.5	0	0	0	116
108	Q	25.9	Very low	28.4	Very low	157 Å²	157	154.7 Å²	154.7	73%	0.734	78%	0.782	S	S	*	*			trans	-60.6	152.7	152.8	-176.7	-163.5	26.2	0	0	110.8
109	R	24.1	Very low	27.4	Very low	183 Å²	183	158.3 Å²	158.3	69%	0.691	79%	0.788	S	S	*	*				148.1	139.2	124.2	-84.8	171.7	165.2	-131.7	5.3	115.2
110	Q	23.3	Very low	27	Very low	147 Å²	147	154.3 Å²	154.3	69%	0.687	78%	0.784	S	S	*	*			trans	57.6	162.5	133	-55.4	169.4	-56	0	0	116.8
111	T	23.4	Very low	26.1	Very low	107 Å²	107	156 Å²	156	66%	0.656	78%	0.783	S	S	*	*			cis	-148.5	145.3	26.5	39.6	0	0	0	0	113.1
112	E	23.5	Very low	25.8	Very low	167 Å²	167	153 Å²	153	78%	0.78	78%	0.777	S	S	*	*				59.3	127.6	128.2	-55.8	167.8	142.1	0	0	123.6
113	S	24.4	Very low	25.7	Very low	95 Å²	95	148.7 Å²	148.7	66%	0.664	76%	0.762	S	S	*	*				61.7	124.6	128.3	71.4	0	0	0	0	124.4
114	I	25	Very low	25.5	Very low	166 Å²	166	145.9 Å²	145.9	85%	0.851	75%	0.752	S	S	*	*				71	144.7	128.3	-61.8	169.5	0	0	0	119
115	G	24.6	Very low	25.7	Very low	60 Å²	60	148.8 Å²	148.8	62%	0.619	75%	0.751	S	S	*	*			trans	101.4	90.5	173.4	0	0	0	0	0	111.8
116	E	25.8	Very low	25.8	Very low	177 Å²	177	148.3 Å²	148.3	83%	0.827	75%	0.749	S	S	*	*				81	132.6	66.4	-70.3	-175	137.3	0	0	114.4
117	E	24.8	Very low	25.7	Very low	181 Å²	181	150 Å²	150	85%	0.846	75%	0.749	S	S	*	*			trans	65	149.1	156.4	-69.3	-169	168.2	0	0	119.9
118	S	26.6	Very low	25.7	Very low	90 Å²	90	150.1 Å²	150.1	63%	0.629	75%	0.753	S	S	*	*			cis	-166	163.8	-14.5	49.1	0	0	0	0	112.7
119	E	25.1	Very low	25.9	Very low	198 Å²	198	147.1 Å²	147.1	93%	0.925	76%	0.756	S	S	*	*			trans	62	161.9	152.2	-73.4	-172	165.2	0	0	123.5
120	G	25.9	Very low	27.3	Very low	71 Å²	71	143.5 Å²	143.5	73%	0.732	76%	0.756	S	S	*	*			trans	101.6	53	157.7	0	0	0	0	0	119
121	M	24.9	Very low	27.6	Very low	163 Å²	163	144.2 Å²	144.2	80%	0.803	76%	0.764	S	S	*	*				72.2	118.6	66.4	-170.7	66.3	130.4	0	0	115.9
122	N	25	Very low	27.8	Very low	130 Å²	130	142.4 Å²	142.4	70%	0.695	77%	0.767	S	S	*	*			trans	72	152.9	157.6	-85.9	-31.2	0	0	0	118.5
123	I	25.8	Very low	28.1	Very low	107 Å²	107	144.1 Å²	144.1	55%	0.549	77%	0.772	S	S	.	*			cis	-165.8	158.3	12.8	-140.1	161.8	0	0	0	115.4
124	Y	24.9	Very low	28.2	Very low	188 Å²	188	147.9 Å²	147.9	74%	0.737	78%	0.779	S	S	*	*			trans	59.2	168.3	155.9	-63	-30.6	0	0	0	123.3
125	K	27.2	Very low	28.3	Very low	173 Å²	173	146.9 Å²	146.9	75%	0.752	78%	0.78	S	S	*	*			cis	179.2	156.7	-39	-164.8	163.7	-174.7	168.2	0	110.8
126	R	28.1	Very low	28.4	Very low	229 Å²	229	152.5 Å²	152.5	86%	0.864	79%	0.79	S	S	*	*			trans	81.4	135	175.6	-55.2	-175.1	-178.4	-145	1.5	114.2
127	R	30.4	Very low	28.4	Very low	236 Å²	236	150.7 Å²	150.7	89%	0.891	79%	0.786	S	S	*	*			cis	84.6	112.7	41.1	-79.1	-167.3	178.7	-169.6	1	114.8
128	S	31.3	Very low	28.4	Very low	127 Å²	127	150.4 Å²	150.4	89%	0.888	79%	0.785	S	S	*	*				175.9	161.8	120	-85.8	0	0	0	0	113.1
129	A	30.3	Very low	28.4	Very low	95 Å²	95	149.6 Å²	149.6	79%	0.785	79%	0.791	S	S	*	*			trans	-107.1	-158.8	169.8	0	0	0	0	0	109.1
130	P	53.5	Low	28.4	Very low	106 Å²	106	147.3 Å²	147.3	69%	0.688	79%	0.791	S	S	*	*			cis	-142.7	-164.4	14.2	45.6	-24.7	0	0	0	116.7
131	D	28.7	Very low	28.4	Very low	162 Å²	162	147.8 Å²	147.8	87%	0.866	80%	0.796	S	S	*	*			trans	61.1	153.3	157.4	-64.7	-20	0	0	0	121.2
132	G	28.5	Very low	28.4	Very low	69 Å²	69	144.8 Å²	144.8	71%	0.711	80%	0.796	S	S	*	*			cis	160.8	162.9	-10	0	0	0	0	0	115.3
133	K	28.5	Very low	28.6	Very low	204 Å²	204	144.5 Å²	144.5	89%	0.887	80%	0.802	S	S	*	*			trans	87.8	160.2	170.9	-66.7	-167.5	171.6	-173.1	0	121
134	E	26.8	Very low	29	Very low	174 Å²	174	149.1 Å²	149.1	81%	0.813	82%	0.821	S	S	*	*			trans	-120.4	174.2	-159.9	-48.1	124.6	125.7	0	0	113.6
135	V	27.5	Very low	29.2	Very low	144 Å²	144	144.4 Å²	144.4	87%	0.873	82%	0.821	S	S	*	*				178.1	157.9	127.7	148.9	0	0	0	0	110.9
136	E	26	Very low	29.4	Very low	179 Å²	179	143 Å²	143	84%	0.836	82%	0.821	S	S	*	*			trans	-90.3	160.2	-170.5	-55.1	161.5	115.2	0	0	114.1
137	D	27.1	Very low	29.7	Very low	138 Å²	138	135.9 Å²	135.9	74%	0.738	81%	0.812	S	S	*	*				-177.8	-178.2	100.7	-156.1	11.8	0	0	0	113.7
138	Q	25.2	Very low	29.9	Very low	175 Å²	175	131 Å²	131	82%	0.818	80%	0.799	S	S	*	*			trans	-82.1	165.7	-163.6	-62.6	150.7	74.8	0	0	117
139	G	25.9	Very low	29.9	Very low	73 Å²	73	130.1 Å²	130.1	75%	0.753	79%	0.785	S	S	*	*			trans	178.3	43.7	174.2	0	0	0	0	0	120.1
140	T	25.6	Very low	30.1	Very low	151 Å²	151	131.1 Å²	131.1	93%	0.926	78%	0.776	S	S	*	*			trans	-1.3	130.3	168.4	53.2	0	0	0	0	121.8
141	G	25.4	Very low	29.4	Very low	81 Å²	81	132.3 Å²	132.3	84%	0.835	78%	0.776	S	S	*	*			trans	-172.7	123.4	154.8	0	0	0	0	0	111.9
142	A	25	Very low	29.5	Very low	99 Å²	99	133.3 Å²	133.3	82%	0.818	77%	0.769	S	S	*	*			trans	-144.5	138.2	-174.4	0	0	0	0	0	112.9
143	P	29.6	Very low	29.9	Very low	125 Å²	125	132.7 Å²	132.7	81%	0.812	75%	0.751	S	S	*	*			trans	-85.8	166.4	162.8	36.3	-32.9	0	0	0	111.5
144	E	34.3	Very low	30.2	Very low	204 Å²	204	125.5 Å²	125.5	95%	0.953	73%	0.73	S	S	*	*			trans	-75.8	146.3	-178.4	-62	170.3	129.7	0	0	112.1
145	A	28.7	Very low	30.7	Very low	88 Å²	88	122.8 Å²	122.8	73%	0.727	72%	0.72	S	S	*	*			trans	-131.8	151.4	-179.8	0	0	0	0	0	111.2
146	N	31	Very low	31.2	Very low	143 Å²	143	119.5 Å²	119.5	77%	0.765	70%	0.704	S	S	*	*			trans	-67.8	149.3	-171.2	-77.1	-43.2	0	0	0	113.7	E148 D149	N146-E148 VanDerWaalsContact C-N 3.28Å; N146-E148 PolarHBondContact O-N 3.31Å; N146-E148 VanDerWaalsContact O-N 3.15Å; N146-D149 PolarHBondContact O-N 3.1Å
147	A	34.7	Very low	31.7	Very low	81 Å²	81	121.1 Å²	121.1	67%	0.669	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-18.4	-168.1	0	0	0	0	0	115.8
148	E	34.1	Very low	32.4	Very low	133 Å²	133	119.7 Å²	119.7	62%	0.621	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-27.4	-178.9	-61.2	-150.9	117.8	0	0	113.6	N146 L150 L151 K731	N146-E148 VanDerWaalsContact C-N 3.28Å; N146-E148 PolarHBondContact O-N 3.31Å; N146-E148 VanDerWaalsContact O-N 3.15Å; E148-L150 PolarHBondContact O-N 3.05Å; E148-L150 VanDerWaalsContact O-N 3.17Å; E148-L151 PolarHBondContact O-N 2.76Å; E148-K731 IonicContact OE1-NZ 2.77Å; E148-K731 PolarHBondContact OE1-NZ 2.72Å
149	D	32.1	Very low	33.3	Very low	109 Å²	109	113.9 Å²	113.9	58%	0.583	68%	0.68	S	S	*	*	H	α-helix	trans	-64.8	-20.2	177.1	-109.5	-27.9	0	0	0	113	N146 L151 T153	N146-D149 PolarHBondContact O-N 3.1Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.07Å; D149-T153 VanDerWaalsContact O-CB 3.25Å; D149-T153 WeakPolarHBondContact O-CB 3.43Å; D149-T153 PolarHBondContact O-N 3.1Å; D149-T153 PolarHBondContact O-OG1 3.42Å
150	L	34.4	Very low	33.9	Very low	116 Å²	116	116.7 Å²	116.7	61%	0.607	68%	0.678	S	S	*	*	H	α-helix	trans	-67.1	-28.7	179.8	-67.2	175.2	0	0	0	112.6	E148 A154	E148-L150 PolarHBondContact O-N 3.05Å; E148-L150 VanDerWaalsContact O-N 3.17Å; L150-A154 WeakPolarHBondContact O-CB 3.32Å; L150-A154 PolarHBondContact O-N 3.29Å
151	L	38.8	Very low	34.7	Very low	130 Å²	130	119.9 Å²	119.9	68%	0.681	68%	0.679	S	S	*	*	H	α-helix	trans	-69	-43.7	179.3	-90.3	163.7	0	0	0	112.2	E148 D149 L155	E148-L151 PolarHBondContact O-N 2.76Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.07Å; L151-L155 WeakPolarHBondContact O-CG 3.44Å; L151-L155 PolarHBondContact O-N 3.1Å
152	Y	31.5	Very low	35.5	Very low	184 Å²	184	122.4 Å²	122.4	72%	0.722	68%	0.678	S	S	*	*	H	α-helix	trans	-76.3	-34.3	177.6	-139.8	-95.3	0	0	0	111.9	S156	Y152-S156 PolarHBondContact O-N 3.41Å; Y152-S156 PolarHBondContact O-OG 3.12Å; Y152-S156 VanDerWaalsContact O-OG 3.1Å
153	T	35.8	Very low	36.3	Very low	55 Å²	55	119.6 Å²	119.6	34%	0.337	65%	0.652	S	S	.	*	H	α-helix	trans	-70.5	-35	176.8	-59.8	0	0	0	0	112.5	D149 S156 R157	D149-T153 VanDerWaalsContact O-CB 3.25Å; D149-T153 WeakPolarHBondContact O-CB 3.43Å; D149-T153 PolarHBondContact O-N 3.1Å; D149-T153 PolarHBondContact O-OG1 3.42Å; T153-S156 PolarHBondContact O-N 3.08Å; T153-R157 PolarHBondContact O-N 3.29Å
154	A	34.9	Very low	36.9	Very low	54 Å²	54	120.1 Å²	120.1	45%	0.446	65%	0.653	S	S	.	*	H	α-helix	trans	-64.1	-44.9	174.9	0	0	0	0	0	111.9	L150 S156 R157	L150-A154 WeakPolarHBondContact O-CB 3.32Å; L150-A154 PolarHBondContact O-N 3.29Å; A154-S156 PolarHBondContact O-N 3.41Å; A154-R157 PolarHBondContact O-N 3.28Å; A154-R157 VanDerWaalsContact O-N 3.07Å
155	L	37.9	Very low	37.2	Very low	116 Å²	116	111.9 Å²	111.9	61%	0.607	62%	0.618	S	S	*	*	H	α-helix	trans	-56.7	-31.6	174.9	-70.5	169.3	0	0	0	112.5	L151	L151-L155 WeakPolarHBondContact O-CG 3.44Å; L151-L155 PolarHBondContact O-N 3.1Å
156	S	36.6	Very low	38	Very low	76 Å²	76	112.8 Å²	112.8	53%	0.531	61%	0.609	S	S	.	*	H	α-helix	trans	-82.5	-12.7	-179.8	-57.6	0	0	0	0	114.5	Y152 T153 A154	Y152-S156 PolarHBondContact O-N 3.41Å; Y152-S156 PolarHBondContact O-OG 3.12Å; Y152-S156 VanDerWaalsContact O-OG 3.1Å; T153-S156 PolarHBondContact O-N 3.08Å; A154-S156 PolarHBondContact O-N 3.41Å
157	R	37.7	Very low	38.4	Very low	213 Å²	213	109.6 Å²	109.6	80%	0.804	60%	0.598	S	S	*	*	H	α-helix	trans	-95.9	-5.4	-176.7	-76.3	-175.4	178.9	-173.4	1.6	114.9	T153 A154	T153-R157 PolarHBondContact O-N 3.29Å; A154-R157 PolarHBondContact O-N 3.28Å; A154-R157 VanDerWaalsContact O-N 3.07Å
158	C	42.2	Very low	38.6	Very low	108 Å²	108	110 Å²	110	73%	0.73	59%	0.586	S	S	*	*	S	Bend	trans	-85.8	-3.9	-174.2	-65.2	0	0	0	0	115.5
159	C	42.8	Very low	39.1	Very low	52 Å²	52	108 Å²	108	35%	0.351	58%	0.578	S	S	.	*	S	Bend	trans	-142	139.3	-170.9	-76.4	0	0	0	0	113.9	C163 C165	C159-C163 HydrophobicContact CB-CB 3.78Å; C159-C163 PolarHBondContact SG-SG 3.41Å; C159-C165 PolarHBondContact SG-SG 3.37Å
160	N	39.5	Very low	39	Very low	133 Å²	133	112.8 Å²	112.8	71%	0.711	59%	0.594	S	S	*	*			trans	-67.9	158.7	173.7	-79.6	-21.9	0	0	0	112.4	T162 C163	N160-T162 PolarHBondContact O-N 2.91Å; N160-C163 WeakPolarHBondContact O-CB 3.34Å; N160-C163 PolarHBondContact O-N 2.65Å
161	K	41.8	Very low	38.9	Very low	218 Å²	218	113.4 Å²	113.4	95%	0.948	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	4.3	-178.7	-62.6	-176.5	178.7	179.2	0	116
162	T	42.8	Very low	38.5	Very low	133 Å²	133	113.2 Å²	113.2	82%	0.816	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	10.7	177.1	51	0	0	0	0	113.1	N160	N160-T162 PolarHBondContact O-N 2.91Å
163	C	40.2	Very low	38.5	Very low	40 Å²	40	107.4 Å²	107.4	27%	0.27	59%	0.591	S	S	.	*			trans	-78.8	128.9	-178	-179	0	0	0	0	113.4	C159 N160 C165 H168	C159-C163 HydrophobicContact CB-CB 3.78Å; C159-C163 PolarHBondContact SG-SG 3.41Å; N160-C163 WeakPolarHBondContact O-CB 3.34Å; N160-C163 PolarHBondContact O-N 2.65Å; C163-C165 WeakPolarHBondContact CB-SG 3.1Å; C163-C165 PolarHBondContact O-N 3.36Å; C163-C165 WeakPolarHBondContact SG-CB 3.22Å; C163-C165 PolarHBondContact SG-N 3.41Å; C163-C165 VanDerWaalsContact SG-N 3.39Å; C163-C165 CovalentContact SG-SG 2.05Å; C163-C165 PolarHBondContact SG-SG 3.01Å; C163-H168 PolarHBondContact O-ND1 2.87Å
164	T	42.6	Very low	38	Very low	136 Å²	136	113.9 Å²	113.9	83%	0.834	62%	0.62	S	S	*	*			trans	-82.5	20.8	175.2	50.7	0	0	0	0	114.1
165	C	41.7	Very low	37.4	Very low	31 Å²	31	117.7 Å²	117.7	21%	0.209	63%	0.63	C	S	.	*	S	Bend	trans	-73.5	155.2	-178.6	32.8	0	0	0	0	112.8	C159 C163 C167 H168	C159-C165 PolarHBondContact SG-SG 3.37Å; C163-C165 WeakPolarHBondContact CB-SG 3.1Å; C163-C165 PolarHBondContact O-N 3.36Å; C163-C165 WeakPolarHBondContact SG-CB 3.22Å; C163-C165 PolarHBondContact SG-N 3.41Å; C163-C165 VanDerWaalsContact SG-N 3.39Å; C163-C165 CovalentContact SG-SG 2.05Å; C163-C165 PolarHBondContact SG-SG 3.01Å; C165-C167 PolarHBondContact O-N 3.14Å; C165-C167 VanDerWaalsContact O-N 3.12Å; C165-C167 PolarHBondContact SG-SG 3.22Å; C165-H168 PolarHBondContact O-N 3.06Å
166	I	45.9	Very low	36.8	Very low	107 Å²	107	120.2 Å²	120.2	55%	0.549	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-57.1	-32	-174.9	-62.1	177.3	0	0	0	112.5	H168 L169	I166-H168 PolarHBondContact O-N 3.31Å; I166-H168 VanDerWaalsContact O-N 3.07Å; I166-L169 HydrophobicContact CG1-CD1 4.44Å; I166-L169 PolarHBondContact O-N 2.66Å; I166-L169 VanDerWaalsContact O-N 3.07Å
167	C	38.9	Very low	36.3	Very low	77 Å²	77	121 Å²	121	52%	0.52	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-62.1	-11.4	175.4	60.2	0	0	0	0	115	C165	C165-C167 PolarHBondContact O-N 3.14Å; C165-C167 VanDerWaalsContact O-N 3.12Å; C165-C167 PolarHBondContact SG-SG 3.22Å
168	H	37.4	Very low	35.8	Very low	90 Å²	90	119.6 Å²	119.6	42%	0.417	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-111.6	-2	174.8	-58	152.4	0	0	0	113.7	C163 C165 I166 K170	C163-H168 PolarHBondContact O-ND1 2.87Å; C165-H168 PolarHBondContact O-N 3.06Å; I166-H168 PolarHBondContact O-N 3.31Å; I166-H168 VanDerWaalsContact O-N 3.07Å; H168-K170 PolarHBondContact O-N 2.8Å; H168-K170 VanDerWaalsContact O-N 3.15Å
169	L	45	Very low	35.1	Very low	89 Å²	89	119 Å²	119	47%	0.466	63%	0.628	S	S	.	*			trans	-81.4	92.4	177.9	-68.3	178.3	0	0	0	110.7	I166 R171	I166-L169 HydrophobicContact CG1-CD1 4.44Å; I166-L169 PolarHBondContact O-N 2.66Å; I166-L169 VanDerWaalsContact O-N 3.07Å; L169-R171 PolarHBondContact O-N 3.17Å
170	K	29.9	Very low	34.3	Very low	210 Å²	210	121.4 Å²	121.4	91%	0.913	64%	0.643	S	S	*	*			trans	-61.1	102.5	162.2	-79.4	-166.4	173	-170.4	0	109.1	H168 P172	H168-K170 PolarHBondContact O-N 2.8Å; H168-K170 VanDerWaalsContact O-N 3.15Å; K170-P172 WeakPolarHBondContact O-CD 3.5Å
171	R	33	Very low	33.9	Very low	129 Å²	129	121.6 Å²	121.6	49%	0.487	65%	0.649	S	S	.	*			trans	-82.8	117	173.8	-64.5	-176.7	178.4	-153.6	-6.4	109.8	L169 D542	L169-R171 PolarHBondContact O-N 3.17Å; R171-D542 IonicContact CZ-OD2 3.83Å; R171-D542 IonicContact NH2-OD2 2.72Å; R171-D542 PolarHBondContact NH2-OD2 3.07Å
172	P	30.5	Very low	33.3	Very low	127 Å²	127	118.2 Å²	118.2	83%	0.825	64%	0.641	S	S	*	*	S	Bend	trans	-79.2	126.7	159.1	31.8	-29.9	0	0	0	109	K170	K170-P172 WeakPolarHBondContact O-CD 3.5Å
173	G	30.5	Very low	32.6	Very low	62 Å²	62	121.3 Å²	121.3	64%	0.639	65%	0.646	S	S	*	*	S	Bend	trans	92.6	125.3	-174.7	0	0	0	0	0	113.1
174	M	25.5	Very low	32.1	Very low	190 Å²	190	124.9 Å²	124.9	94%	0.936	66%	0.663	S	S	*	*			trans	55.8	92.5	-176.3	-65.7	-174.4	168.4	0	0	115.4
175	M	23.8	Very low	31.4	Very low	135 Å²	135	123.8 Å²	123.8	67%	0.665	66%	0.66	S	S	*	*			trans	-97	133.8	159.5	-60.6	-154.5	-53.4	0	0	110	I177	M175-I177 HydrophobicContact CB-CG1 4.27Å; M175-I177 HydrophobicContact CE-CD1 3.99Å; M175-I177 HydrophobicContact CE-CG1 4.27Å
176	L	25	Very low	31	Very low	168 Å²	168	128.2 Å²	128.2	88%	0.88	69%	0.689	S	S	*	*			trans	-89.3	101.2	165.2	-70.4	172.8	0	0	0	108.3
177	I	24.6	Very low	30.1	Very low	93 Å²	93	127.2 Å²	127.2	48%	0.477	71%	0.705	S	S	.	*	P	Polyproline II helix	trans	-91.4	126.3	175.1	-55.7	179.9	0	0	0	108.6	M175	M175-I177 HydrophobicContact CB-CG1 4.27Å; M175-I177 HydrophobicContact CE-CD1 3.99Å; M175-I177 HydrophobicContact CE-CG1 4.27Å
178	W	27.3	Very low	29.4	Very low	184 Å²	184	127.2 Å²	127.2	70%	0.697	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-90.3	124.1	165.6	-76.5	82.4	0	0	0	109	E723	W178-E723 HydrophobicContact CH2-CB 4.33Å
179	V	27.5	Very low	29	Very low	94 Å²	94	133 Å²	133	57%	0.57	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-88.1	137	167.4	-173.7	0	0	0	0	107.9	I975	V179-I975 HydrophobicContact CG2-CD1 4.03Å
180	P	27.6	Very low	28.1	Very low	103 Å²	103	132.4 Å²	132.4	67%	0.669	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-58.1	157.9	171.5	-24	35	0	0	0	112.5
181	V	30.5	Very low	28	Very low	138 Å²	138	131.3 Å²	131.3	84%	0.836	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-101.9	120.9	158.9	177.4	0	0	0	0	105.8	E183	V181-E183 PolarHBondContact O-N 3.46Å
182	D	29.4	Very low	27.7	Very low	146 Å²	146	130.8 Å²	130.8	78%	0.781	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-67.2	129.9	-177.1	-60.5	-60.4	0	0	0	111.5
183	E	27.2	Very low	27.3	Very low	198 Å²	198	132.7 Å²	132.7	93%	0.925	77%	0.774	S	S	*	*			trans	-96.9	110.7	166	-70.9	-161.1	155.9	0	0	109.6	V181	V181-E183 PolarHBondContact O-N 3.46Å
184	D	30.9	Very low	27.1	Very low	116 Å²	116	133.6 Å²	133.6	62%	0.62	78%	0.782	S	S	*	*			trans	-87.5	109.6	-167.1	-165.9	16.5	0	0	0	112.4	S882	D184-S882 WeakPolarHBondContact OD2-CB 3.45Å
185	S	26.9	Very low	27.1	Very low	112 Å²	112	134.1 Å²	134.1	78%	0.783	78%	0.783	S	S	*	*			trans	-166.8	153.8	173.6	-94	0	0	0	0	114.1
186	P	34.2	Very low	27.2	Very low	124 Å²	124	136 Å²	136	81%	0.805	79%	0.79	S	S	*	*				-109.4	157.7	-104	37.7	-38.3	0	0	0	115.3
187	G	27.1	Very low	27.3	Very low	87 Å²	87	137.9 Å²	137.9	90%	0.897	79%	0.785	S	S	*	*			trans	-78.2	172.6	-169.7	0	0	0	0	0	117.6
188	G	24.8	Very low	27.3	Very low	77 Å²	77	144.1 Å²	144.1	79%	0.794	80%	0.803	S	S	*	*			trans	-131.8	142.5	168.5	0	0	0	0	0	110.7
189	E	27.7	Very low	27.4	Very low	210 Å²	210	143.9 Å²	143.9	98%	0.981	81%	0.81	S	S	*	*			trans	-85.3	142.1	-169.9	-58.3	177.8	150	0	0	113.2
190	G	27	Very low	27.5	Very low	77 Å²	77	148.3 Å²	148.3	79%	0.794	82%	0.824	S	S	*	*			trans	-152.5	132.7	174.7	0	0	0	0	0	111.6
191	Q	26.2	Very low	27.6	Very low	188 Å²	188	153 Å²	153	88%	0.879	83%	0.834	S	S	*	*			trans	-94.6	132.1	-162.1	-69.1	173	-20.5	0	0	114.9
192	T	27.3	Very low	27.6	Very low	118 Å²	118	152.4 Å²	152.4	72%	0.724	83%	0.826	S	S	*	*			trans	26.9	123.9	143.2	60.4	0	0	0	0	120.3
193	N	23.5	Very low	27.8	Very low	167 Å²	167	151.1 Å²	151.1	89%	0.893	82%	0.823	S	S	*	*				-158.5	159.5	108.1	-93.6	-38.2	0	0	0	110.3
194	G	25.8	Very low	28.2	Very low	80 Å²	80	147.3 Å²	147.3	83%	0.825	81%	0.813	S	S	*	*			trans	-99.2	166.2	-170.4	0	0	0	0	0	114.9
195	E	24.2	Very low	28.3	Very low	202 Å²	202	146.1 Å²	146.1	94%	0.944	81%	0.81	S	S	*	*			trans	-141.4	143.6	-178.6	-170.5	159.8	-138.2	0	0	110.7
196	E	26.4	Very low	28.6	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.813	81%	0.807	S	S	*	*			trans	-114.9	101	-172.8	-173.1	178.3	-171.9	0	0	112.3
197	R	26.9	Very low	28.7	Very low	207 Å²	207	149.6 Å²	149.6	78%	0.781	80%	0.801	S	S	*	*			trans	50.2	110.3	140.5	-175.8	-157	-171	175.8	5.8	118.6
198	R	25.5	Very low	29.1	Very low	224 Å²	224	148.1 Å²	148.1	85%	0.845	78%	0.78	S	S	*	*				-168.3	170	126.2	-112	164.4	-174.3	163.5	2.8	114.7
199	E	29.5	Very low	29.5	Very low	180 Å²	180	149.6 Å²	149.6	84%	0.841	77%	0.77	S	S	*	*			trans	65.9	81.3	163.1	-74.1	163.5	-139.7	0	0	119.2
200	E	28.9	Very low	29.8	Very low	187 Å²	187	146.7 Å²	146.7	87%	0.874	76%	0.756	S	S	*	*			trans	-156.8	90.2	132.7	-128	179.7	-163.5	0	0	111.3
201	K	30	Very low	30.5	Very low	201 Å²	201	147.8 Å²	147.8	87%	0.874	74%	0.743	S	S	*	*			trans	-154.8	81.1	172.9	-79	-155.4	174.7	-164.4	0	111.7
202	D	29.6	Very low	31	Very low	125 Å²	125	143.6 Å²	143.6	67%	0.668	72%	0.724	S	S	*	*	S	Bend	trans	-156.4	-32.9	165.5	-119.9	-30.4	0	0	0	113.5	T204 V205	D202-T204 VanDerWaalsContact C-N 3.29Å; D202-T204 PolarHBondContact O-N 3.25Å; D202-V205 PolarHBondContact O-N 3.39Å
203	V	34.7	Very low	31.3	Very low	120 Å²	120	140.6 Å²	140.6	73%	0.727	71%	0.71	S	S	*	*	H	α-helix	trans	-61.1	-33	-176.6	-175.6	0	0	0	0	113.3	V205	V203-V205 PolarHBondContact O-N 3.03Å
204	T	34.8	Very low	32.1	Very low	117 Å²	117	136.7 Å²	136.7	72%	0.718	69%	0.693	S	S	*	*	H	α-helix	trans	-69.5	-32	-174.8	-30.2	0	0	0	0	113.3	D202 K207	D202-T204 VanDerWaalsContact C-N 3.29Å; D202-T204 PolarHBondContact O-N 3.25Å; T204-K207 PolarHBondContact O-N 3.2Å
205	V	34	Very low	32.6	Very low	91 Å²	91	139.3 Å²	139.3	55%	0.552	68%	0.683	S	S	*	*	H	α-helix	trans	-73.1	-37.9	-172.2	-177.8	0	0	0	0	111.6	D202 V203 K207 A208	D202-V205 PolarHBondContact O-N 3.39Å; V203-V205 PolarHBondContact O-N 3.03Å; V205-K207 VanDerWaalsContact C-N 3.26Å; V205-K207 PolarHBondContact O-N 3.35Å; V205-A208 PolarHBondContact O-N 3.02Å
206	Q	32.7	Very low	33.1	Very low	154 Å²	154	137.3 Å²	137.3	72%	0.72	67%	0.667	S	S	*	*	H	α-helix	trans	-66.4	-28.7	-179.9	-63.6	-172.5	-3.2	0	0	112.8
207	K	35.8	Very low	33.4	Very low	155 Å²	155	136.5 Å²	136.5	67%	0.674	66%	0.663	S	S	*	*	H	α-helix	trans	-78.1	-28.4	-176.7	-150.2	176.9	-177.2	-172.3	0	113.1	T204 V205	T204-K207 PolarHBondContact O-N 3.2Å; V205-K207 VanDerWaalsContact C-N 3.26Å; V205-K207 PolarHBondContact O-N 3.35Å
208	A	35.3	Very low	33.9	Very low	56 Å²	56	134.3 Å²	134.3	46%	0.463	66%	0.662	S	S	.	*	H	α-helix	trans	-70.6	-48.9	176.7	0	0	0	0	0	112.1	V205 Q210 I211 E212	V205-A208 PolarHBondContact O-N 3.02Å; A208-Q210 PolarHBondContact O-N 3.2Å; A208-Q210 VanDerWaalsContact O-N 3.12Å; A208-I211 PolarHBondContact O-N 2.98Å; A208-E212 PolarHBondContact O-N 2.79Å
209	N	34.3	Very low	34.3	Very low	109 Å²	109	132 Å²	132	58%	0.583	66%	0.661	S	S	*	*	H	α-helix	trans	-60.8	-25.9	-178	-67.8	-2.2	0	0	0	113.3	I211 A213	N209-I211 VanDerWaalsContact C-N 3.32Å; N209-A213 PolarHBondContact O-N 3.32Å
210	Q	33	Very low	34.5	Very low	148 Å²	148	132 Å²	132	69%	0.692	66%	0.661	S	S	*	*	H	α-helix	trans	-77.8	-16	178.1	-166.5	158.8	73.9	0	0	113.3	A208	A208-Q210 PolarHBondContact O-N 3.2Å; A208-Q210 VanDerWaalsContact O-N 3.12Å
211	I	42.8	Very low	34.8	Very low	101 Å²	101	129.9 Å²	129.9	52%	0.518	66%	0.66	S	S	.	*	H	α-helix	trans	-88.2	-40.6	176.1	-62.2	170.8	0	0	0	110.6	A208 N209 A213 V214 Q215	A208-I211 PolarHBondContact O-N 2.98Å; N209-I211 VanDerWaalsContact C-N 3.32Å; I211-A213 VanDerWaalsContact C-N 3.26Å; I211-A213 PolarHBondContact O-N 3.15Å; I211-V214 PolarHBondContact O-N 2.96Å; I211-Q215 PolarHBondContact O-N 3.23Å
212	E	37.1	Very low	34.7	Very low	100 Å²	100	124.3 Å²	124.3	47%	0.467	66%	0.66	S	S	.	*	H	α-helix	trans	-61.3	-33	173.7	-76.8	-161.2	-175.6	0	0	113.3	A208 Q215 R216	A208-E212 PolarHBondContact O-N 2.79Å; E212-Q215 PolarHBondContact O-N 2.87Å; E212-R216 PolarHBondContact O-N 3.17Å; E212-R216 IonicContact OE2-CZ 2.7Å; E212-R216 IonicContact OE2-NH1 3.66Å; E212-R216 PolarHBondContact OE2-NH1 3.21Å; E212-R216 IonicContact OE2-NH2 3.68Å; E212-R216 PolarHBondContact OE2-NH2 2.74Å
213	A	33.4	Very low	34.6	Very low	54 Å²	54	122 Å²	122	45%	0.446	67%	0.666	S	S	.	*	H	α-helix	trans	-61.8	-47.5	179.6	0	0	0	0	0	111.8	N209 I211 Q215 R216 E217	N209-A213 PolarHBondContact O-N 3.32Å; I211-A213 VanDerWaalsContact C-N 3.26Å; I211-A213 PolarHBondContact O-N 3.15Å; A213-Q215 VanDerWaalsContact C-N 3.3Å; A213-Q215 PolarHBondContact O-N 3.12Å; A213-R216 PolarHBondContact O-N 2.77Å; A213-E217 PolarHBondContact O-N 3.11Å
214	V	38.6	Very low	34.2	Very low	86 Å²	86	125.5 Å²	125.5	52%	0.521	67%	0.674	S	S	.	*	H	α-helix	trans	-64.6	-35.5	-179.8	-179.9	0	0	0	0	111.4	I211 R216 E217	I211-V214 PolarHBondContact O-N 2.96Å; V214-R216 VanDerWaalsContact C-N 3.26Å; V214-R216 PolarHBondContact O-N 3.3Å; V214-E217 PolarHBondContact O-N 2.75Å
215	Q	37.3	Very low	33.9	Very low	135 Å²	135	129.4 Å²	129.4	63%	0.631	68%	0.684	S	S	*	*	H	α-helix	trans	-73.3	-12.5	179	-68.1	-176.3	-0.5	0	0	114.3	I211 E212 A213	I211-Q215 PolarHBondContact O-N 3.23Å; E212-Q215 PolarHBondContact O-N 2.87Å; A213-Q215 VanDerWaalsContact C-N 3.3Å; A213-Q215 PolarHBondContact O-N 3.12Å
216	R	33.8	Very low	33.7	Very low	160 Å²	160	134.8 Å²	134.8	60%	0.604	70%	0.703	S	S	*	*	H	α-helix	trans	-88.7	-32.2	172.1	-69.1	-176.3	-175.7	109.4	12.5	112.8	E212 A213 V214 E218 Q219	E212-R216 PolarHBondContact O-N 3.17Å; E212-R216 IonicContact OE2-CZ 2.7Å; E212-R216 IonicContact OE2-NH1 3.66Å; E212-R216 PolarHBondContact OE2-NH1 3.21Å; E212-R216 IonicContact OE2-NH2 3.68Å; E212-R216 PolarHBondContact OE2-NH2 2.74Å; A213-R216 PolarHBondContact O-N 2.77Å; V214-R216 VanDerWaalsContact C-N 3.26Å; V214-R216 PolarHBondContact O-N 3.3Å; R216-E218 VanDerWaalsContact C-N 3.28Å; R216-E218 PolarHBondContact O-N 3.47Å; R216-Q219 PolarHBondContact O-N 2.91Å
217	E	34.5	Very low	33.3	Very low	156 Å²	156	136.5 Å²	136.5	73%	0.729	71%	0.711	S	S	*	*	H	α-helix	trans	-69.2	-22.7	178.3	-67.2	-173	145.6	0	0	113.2	A213 V214 Q219	A213-E217 PolarHBondContact O-N 3.11Å; V214-E217 PolarHBondContact O-N 2.75Å; E217-Q219 VanDerWaalsContact C-N 3.26Å; E217-Q219 PolarHBondContact O-N 3.46Å
218	E	36.9	Very low	32.9	Very low	162 Å²	162	138.6 Å²	138.6	76%	0.757	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	1.5	175.2	-65.6	-164.6	136.9	0	0	114.5	R216	R216-E218 VanDerWaalsContact C-N 3.28Å; R216-E218 PolarHBondContact O-N 3.47Å
219	Q	34.2	Very low	32.5	Very low	174 Å²	174	144.1 Å²	144.1	81%	0.813	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	-0.3	-176.7	-136.3	171.4	12.2	0	0	115.4	R216 E217	R216-Q219 PolarHBondContact O-N 2.91Å; E217-Q219 VanDerWaalsContact C-N 3.26Å; E217-Q219 PolarHBondContact O-N 3.46Å
220	E	32.5	Very low	32.1	Very low	181 Å²	181	143.5 Å²	143.5	85%	0.846	74%	0.737	S	S	*	*	S	Bend	trans	-116.6	28.2	179.4	-70.1	-162.6	138.9	0	0	114.9
221	V	35.9	Very low	31.9	Very low	143 Å²	143	144.4 Å²	144.4	87%	0.867	74%	0.741	S	S	*	*			trans	-133.4	85.2	169.3	-171.1	0	0	0	0	110.4
222	G	27	Very low	31.1	Very low	84 Å²	84	146.7 Å²	146.7	87%	0.866	75%	0.753	S	S	*	*			trans	-161.3	45	-165.7	0	0	0	0	0	117.6
223	G	27.7	Very low	31.2	Very low	76 Å²	76	147.2 Å²	147.2	78%	0.784	77%	0.765	S	S	*	*			trans	104.3	125.2	155.8	0	0	0	0	0	117.7
224	Q	25.7	Very low	30.9	Very low	193 Å²	193	148.5 Å²	148.5	90%	0.902	78%	0.776	S	S	*	*			trans	-151.3	111.5	136.9	-112.8	169.3	0.1	0	0	107.1
225	E	29.8	Very low	30.3	Very low	200 Å²	200	152.1 Å²	152.1	94%	0.935	79%	0.787	S	S	*	*			trans	-86.3	137.1	164.2	-68	176.6	132.6	0	0	107	E227	E225-E227 PolarHBondContact O-N 3.28Å
226	E	28.6	Very low	29.9	Very low	203 Å²	203	154 Å²	154	95%	0.949	79%	0.793	S	S	*	*			trans	-86.2	109.5	-178.8	-66.7	-176.7	149.6	0	0	110.1
227	E	25.9	Very low	29.7	Very low	190 Å²	190	153.6 Å²	153.6	89%	0.888	80%	0.796	S	S	*	*			trans	-100.9	136.7	160.4	-168.5	164.3	-128.8	0	0	108.5	E225	E225-E227 PolarHBondContact O-N 3.28Å
228	Y	27.5	Very low	29.5	Very low	200 Å²	200	153 Å²	153	78%	0.784	79%	0.793	S	S	*	*			trans	-97.5	139.8	-171	72.4	-83.3	0	0	0	110.8
229	E	25.9	Very low	29.2	Very low	172 Å²	172	148.8 Å²	148.8	80%	0.804	79%	0.793	S	S	*	*			trans	-159.6	170.3	134.9	-121.5	-178	-171.2	0	0	114.4
230	S	26.4	Very low	29	Very low	96 Å²	96	148.5 Å²	148.5	67%	0.671	79%	0.792	S	S	*	*			trans	-62.2	131	-157.3	51.4	0	0	0	0	119.1
231	E	27.4	Very low	29.2	Very low	167 Å²	167	146 Å²	146	78%	0.78	78%	0.784	S	S	*	*				40.4	112.6	127.9	-59	-162.8	135.2	0	0	122.7
232	L	26.8	Very low	29	Very low	148 Å²	148	147.4 Å²	147.4	78%	0.775	78%	0.778	S	S	*	*				66.1	156.2	123.3	-58.4	172.3	0	0	0	121.2
233	P	39.3	Very low	29.3	Very low	111 Å²	111	148.1 Å²	148.1	72%	0.721	78%	0.776	S	S	*	*			cis	-143	173.2	-45	41.2	-25	0	0	0	115.9
234	A	26.5	Very low	29.6	Very low	81 Å²	81	148.2 Å²	148.2	67%	0.669	77%	0.769	S	S	*	*			trans	84.7	105.9	140.6	0	0	0	0	0	123.9
235	Q	26.4	Very low	29.9	Very low	162 Å²	162	147.9 Å²	147.9	76%	0.757	77%	0.767	S	S	*	*				80	145.9	124.2	-65.6	-173.6	5.3	0	0	123.3
236	K	29.8	Very low	30.1	Very low	174 Å²	174	143.4 Å²	143.4	76%	0.757	75%	0.75	S	S	*	*			trans	79.6	145.9	162.6	-64.7	158.6	-172.9	167	0	116
237	K	29.7	Very low	30.3	Very low	152 Å²	152	141.8 Å²	141.8	66%	0.661	74%	0.74	S	S	*	*			cis	-154.3	-175.5	-1.5	-129.7	-179.4	179.8	-68.5	0	113.4
238	E	30	Very low	30.6	Very low	144 Å²	144	138.3 Å²	138.3	67%	0.673	73%	0.731	S	S	*	*			trans	-54.8	159.5	173.8	-43.4	93.8	-157.1	0	0	113
239	G	30.3	Very low	30.9	Very low	74 Å²	74	136.8 Å²	136.8	76%	0.763	73%	0.732	S	S	*	*				102.8	151.7	73	0	0	0	0	0	109.7
240	E	30.2	Very low	31.5	Very low	168 Å²	168	137.5 Å²	137.5	79%	0.785	73%	0.732	S	S	*	*			cis	-151.5	169.3	7.2	-64.4	-179.2	67.6	0	0	110.8
241	L	35.8	Very low	31.7	Very low	128 Å²	128	139.2 Å²	139.2	67%	0.67	73%	0.734	S	S	*	*			trans	20.1	152.7	130.3	-55.1	169.9	0	0	0	120.4
242	K	32.8	Very low	31.8	Very low	173 Å²	173	138 Å²	138	75%	0.752	73%	0.732	S	S	*	*			cis	-176.2	158.5	32.7	-135.2	151.9	-165.4	160.5	0	112.2
243	A	33.2	Very low	32	Very low	98 Å²	98	135.5 Å²	135.5	81%	0.81	73%	0.727	S	S	*	*			trans	63.4	157.3	145.8	0	0	0	0	0	121.1
244	A	33.8	Very low	31.6	Very low	78 Å²	78	137.8 Å²	137.8	65%	0.645	73%	0.728	S	S	*	*			cis	-172.1	165.2	-24.7	0	0	0	0	0	111.3
245	E	31.9	Very low	31.8	Very low	186 Å²	186	141.1 Å²	141.1	87%	0.869	73%	0.728	S	S	*	*			trans	65.3	153.3	151.7	-74.3	166.4	-158.2	0	0	120.2
246	D	33.1	Very low	32.1	Very low	106 Å²	106	141 Å²	141	57%	0.567	73%	0.725	S	S	*	*			cis	-172.4	154	-21.6	-169.8	13.1	0	0	0	111.1
247	K	32.7	Very low	32.1	Very low	169 Å²	169	142 Å²	142	74%	0.735	72%	0.724	S	S	*	*			trans	59.6	166	160.8	-82.1	154.4	-163	145.9	0	120.3
248	V	33	Very low	32.1	Very low	117 Å²	117	141.3 Å²	141.3	71%	0.709	73%	0.727	S	S	*	*			cis	-160.1	161.2	-32.8	116.2	0	0	0	0	110.8
249	E	34.9	Very low	32.2	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	73%	0.727	S	S	*	*			trans	14	121.2	166.8	-60.5	178.1	112.1	0	0	122.3
250	K	37.4	Very low	32	Very low	186 Å²	186	145.5 Å²	145.5	81%	0.809	73%	0.731	S	S	*	*				89.9	154.9	70.5	-148.7	-175.5	-177	-175.5	0	115.7
251	N	31.4	Very low	31.9	Very low	133 Å²	133	140.7 Å²	140.7	71%	0.711	73%	0.726	S	S	*	*			trans	87.7	153.6	176.1	-59.8	6.5	0	0	0	115.6
252	D	28.5	Very low	31.7	Very low	140 Å²	140	143.3 Å²	143.3	75%	0.749	74%	0.735	S	S	*	*			cis	-141.6	-152.1	11.4	-141	-52.4	0	0	0	114.7
253	S	30.9	Very low	31.5	Very low	96 Å²	96	142.2 Å²	142.2	67%	0.671	73%	0.733	S	S	*	*			trans	-123.7	-177.6	-148.2	-48.5	0	0	0	0	118
254	E	31.3	Very low	31.3	Very low	159 Å²	159	143 Å²	143	74%	0.743	73%	0.727	S	S	*	*			trans	85.8	155.9	163.1	-63.1	-150.9	132.4	0	0	120.5
255	K	31.2	Very low	31	Very low	151 Å²	151	148 Å²	148	66%	0.657	74%	0.738	S	S	*	*			cis	177.1	129.8	-26.1	-178.2	170.5	176.8	-175.5	0	114.9
256	K	31.4	Very low	30.8	Very low	160 Å²	160	143 Å²	143	70%	0.696	73%	0.728	S	S	*	*			trans	71.5	141.7	149.6	-89.5	-167.2	173.8	-161.9	0	124.6
257	R	30.9	Very low	30.5	Very low	195 Å²	195	147.2 Å²	147.2	74%	0.736	74%	0.744	S	S	*	*			trans	74.4	156.6	145.3	-70.2	-171.1	-73.8	-171.1	4.3	118.6
258	D	29.1	Very low	30.4	Very low	137 Å²	137	147.6 Å²	147.6	73%	0.733	75%	0.748	S	S	*	*			cis	-173	168.7	-12.5	-91.7	-9	0	0	0	107.1
259	D	32.6	Very low	30.9	Very low	126 Å²	126	147.1 Å²	147.1	67%	0.674	75%	0.748	S	S	*	*			cis	-175.6	168.1	-19.6	179.9	33.1	0	0	0	110.5
260	Q	26.3	Very low	30.7	Very low	180 Å²	180	146.9 Å²	146.9	84%	0.841	74%	0.744	S	S	*	*			trans	73.1	152.5	162.2	-85.9	162.5	72.9	0	0	125.3
261	G	27.5	Very low	30.3	Very low	67 Å²	67	144.9 Å²	144.9	69%	0.691	74%	0.738	S	S	*	*			trans	109.8	119	165.5	0	0	0	0	0	116.1
262	E	31	Very low	30.2	Very low	184 Å²	184	144.7 Å²	144.7	86%	0.86	74%	0.741	S	S	*	*				75	141.9	54.7	-71.2	-174.1	139.1	0	0	114.5
263	E	29.3	Very low	30	Very low	150 Å²	150	145.6 Å²	145.6	70%	0.701	74%	0.741	S	S	*	*			cis	-164.1	159.3	7.2	-134.5	-169.3	154.9	0	0	112.7
264	T	29.1	Very low	30.1	Very low	113 Å²	113	146.9 Å²	146.9	69%	0.693	74%	0.744	S	S	*	*			trans	57.8	170.2	155.3	56.7	0	0	0	0	120.5
265	E	27.8	Very low	29.9	Very low	185 Å²	185	146.9 Å²	146.9	86%	0.864	75%	0.749	S	S	*	*			cis	-165.7	171.6	-18.7	-108.1	-172.6	152	0	0	105
266	A	28	Very low	29.8	Very low	79 Å²	79	143.6 Å²	143.6	65%	0.653	75%	0.751	S	S	*	*			cis	-175	178.1	-16.7	0	0	0	0	0	108.5
267	E	26.6	Very low	29.9	Very low	196 Å²	196	140 Å²	140	92%	0.916	75%	0.751	S	S	*	*			trans	70.1	150.6	160.7	-61.4	-154.2	117.8	0	0	124.1
268	Q	30.2	Very low	29.7	Very low	176 Å²	176	138.6 Å²	138.6	82%	0.822	76%	0.758	S	S	*	*			trans	-121.1	167.2	166.6	-49.1	174.3	3.5	0	0	107.3
269	P	43.8	Very low	29.8	Very low	108 Å²	108	135 Å²	135	70%	0.701	75%	0.754	S	S	*	*				-164.9	163	90	41.7	-21.3	0	0	0	119.8
270	K	31.5	Very low	29.7	Very low	163 Å²	163	137.2 Å²	137.2	71%	0.709	76%	0.76	S	S	*	*			trans	62.4	162.4	138.6	-74	171.3	164.3	-81.7	0	120.4
271	E	28.4	Very low	29.9	Very low	145 Å²	145	136.4 Å²	136.4	68%	0.678	76%	0.756	S	S	*	*			cis	-164.2	-167	-13.9	-116.8	164.2	177	0	0	112.3
272	V	28.7	Very low	29.9	Very low	129 Å²	129	141.5 Å²	141.5	78%	0.782	76%	0.762	S	S	*	*			trans	83.3	145.1	166.3	175.8	0	0	0	0	116.7
273	E	25.4	Very low	29.9	Very low	159 Å²	159	139.9 Å²	139.9	74%	0.743	76%	0.758	S	S	*	*			cis	-160.2	158.5	-30.4	-94.9	-172	129.7	0	0	106.2
274	V	31.9	Very low	30.9	Very low	122 Å²	122	138.3 Å²	138.3	74%	0.739	76%	0.761	S	S	*	*			cis	98.5	103	16.9	-180	0	0	0	0	116.1
275	N	26.6	Very low	31	Very low	159 Å²	159	141.1 Å²	141.1	85%	0.85	77%	0.766	S	S	*	*			trans	178.2	149.8	160.8	-93	-52.4	0	0	0	110.1
276	A	30.5	Very low	31.1	Very low	83 Å²	83	139.4 Å²	139.4	69%	0.686	76%	0.763	S	S	*	*			cis	-167.6	153.4	-20	0	0	0	0	0	111.9
277	A	33.1	Very low	31.1	Very low	85 Å²	85	142.5 Å²	142.5	70%	0.702	77%	0.773	S	S	*	*			trans	57.7	146.4	155.7	0	0	0	0	0	121.6
278	D	27.4	Very low	31.1	Very low	165 Å²	165	140.5 Å²	140.5	88%	0.882	77%	0.768	S	S	*	*			cis	-170.5	168.9	-16.1	-95.3	-29.8	0	0	0	108
279	G	30	Very low	31.1	Very low	62 Å²	62	140 Å²	140	64%	0.639	77%	0.765	S	S	*	*			cis	164.7	138.4	-6.5	0	0	0	0	0	113.4
280	E	30.5	Very low	31.4	Very low	171 Å²	171	140 Å²	140	80%	0.799	77%	0.766	S	S	*	*			trans	67.1	159.2	158.4	-53.1	-137.1	81.7	0	0	119.9
281	H	30.6	Very low	31.4	Very low	164 Å²	164	138 Å²	138	76%	0.759	77%	0.767	S	S	*	*			cis	-147.2	-178.3	13.3	-120.5	-4.8	0	0	0	111.3
282	Q	27.6	Very low	31.6	Very low	174 Å²	174	139.3 Å²	139.3	81%	0.813	77%	0.773	S	S	*	*			trans	-150.3	151.2	-167.1	-178.4	160.6	8.8	0	0	117.3
283	L	31.3	Very low	32	Very low	149 Å²	149	137 Å²	137	78%	0.78	77%	0.768	S	S	*	*			trans	69.4	168.6	170.1	-77.2	162	0	0	0	117.2
284	P	49.7	Very low	32.3	Very low	118 Å²	118	137.1 Å²	137.1	77%	0.766	77%	0.773	S	S	*	*			cis	-128.4	-138.4	7.8	44.4	-25.8	0	0	0	115.9
285	Q	32.2	Very low	32.3	Very low	172 Å²	172	134.2 Å²	134.2	80%	0.804	77%	0.768	S	S	*	*			trans	-98.9	162.5	-164.8	-55.6	164.8	-83.6	0	0	114.9
286	D	28.6	Very low	32.7	Very low	149 Å²	149	130.9 Å²	130.9	80%	0.797	76%	0.762	S	S	*	*				148.6	170.7	125.5	-90.6	-17	0	0	0	116.7
287	V	28.1	Very low	32.8	Very low	144 Å²	144	136 Å²	136	87%	0.873	77%	0.772	S	S	*	*			trans	119.3	144.1	156.9	-178.2	0	0	0	0	116.7
288	L	28.1	Very low	32.6	Very low	153 Å²	153	135 Å²	135	80%	0.801	77%	0.77	S	S	*	*			trans	-113.5	161.9	-165.4	-73.7	159.4	0	0	0	113.6
289	H	29.8	Very low	32.7	Very low	166 Å²	166	130.5 Å²	130.5	77%	0.769	76%	0.762	S	S	*	*			trans	13.8	150.7	139	-93.5	-58.1	0	0	0	121.4
290	P	50.1	Low	33	Very low	109 Å²	109	137.7 Å²	137.7	71%	0.708	78%	0.776	S	S	*	*				-157.7	162.7	73.6	43	-22.9	0	0	0	120.9
291	V	31	Very low	32.9	Very low	121 Å²	121	136.2 Å²	136.2	73%	0.733	78%	0.778	S	S	*	*			trans	63.4	136.6	137.4	160.6	0	0	0	0	120.6
292	E	32.2	Very low	32.8	Very low	171 Å²	171	131.3 Å²	131.3	80%	0.799	77%	0.772	S	S	*	*			cis	-170.6	-155.7	-23.5	-141	161.2	-96	0	0	106.1
293	A	37.3	Very low	33.1	Very low	82 Å²	82	130.8 Å²	130.8	68%	0.678	77%	0.769	S	S	*	*			cis	-169.9	169.3	-7.8	0	0	0	0	0	105.1
294	D	31	Very low	33	Very low	160 Å²	160	130.7 Å²	130.7	86%	0.856	76%	0.763	S	S	*	*			cis	-164	154.8	-26.5	173.6	70.1	0	0	0	104.9
295	G	31.8	Very low	32.1	Very low	61 Å²	61	131.5 Å²	131.5	63%	0.629	76%	0.759	S	S	*	*			cis	-144.7	-112.1	-0.4	0	0	0	0	0	109.4
296	A	35	Very low	32.2	Very low	89 Å²	89	130.3 Å²	130.3	74%	0.736	75%	0.751	S	S	*	*			cis	-166.8	169.1	-10.7	0	0	0	0	0	106.5
297	H	32.4	Very low	32.3	Very low	191 Å²	191	131 Å²	131	88%	0.884	75%	0.75	S	S	*	*			cis	-148.4	-175.2	2.4	-165.1	68.7	0	0	0	109.3
298	G	29.1	Very low	32.3	Very low	65 Å²	65	127.8 Å²	127.8	67%	0.67	75%	0.745	S	S	*	*			trans	-89.6	-178.6	-178.2	0	0	0	0	0	116.6
299	G	30.9	Very low	32.6	Very low	69 Å²	69	129.7 Å²	129.7	71%	0.711	75%	0.75	S	S	*	*			cis	159.1	161.9	-8.5	0	0	0	0	0	116.3
300	K	35	Very low	32.7	Very low	213 Å²	213	129 Å²	129	93%	0.926	75%	0.752	S	S	*	*			trans	65.7	173.4	173.3	-50.7	174.7	178.7	171	0	115.1
301	V	28.4	Very low	32	Very low	141 Å²	141	131.5 Å²	131.5	86%	0.855	75%	0.754	S	S	*	*			cis	-148.4	161.6	6.7	-172.4	0	0	0	0	106.9
302	G	29.2	Very low	31.9	Very low	60 Å²	60	128.8 Å²	128.8	62%	0.619	75%	0.751	S	S	*	*			cis	143.5	128.8	-10.2	0	0	0	0	0	114.4
303	E	33.1	Very low	32.1	Very low	163 Å²	163	128.9 Å²	128.9	76%	0.762	75%	0.749	S	S	*	*			trans	69.7	153.6	168.5	-59.2	-144.1	114.9	0	0	118.7
304	K	30.5	Very low	31.7	Very low	148 Å²	148	128.6 Å²	128.6	64%	0.643	75%	0.754	S	S	*	*			cis	-165.6	155.4	0.3	-125	172	175.7	132.3	0	114.4
305	I	31.1	Very low	31.7	Very low	134 Å²	134	130 Å²	130	69%	0.687	75%	0.753	S	S	*	*			trans	88.9	121.5	137.6	-87.1	168.2	0	0	0	126.4
306	K	33.1	Very low	31.5	Very low	148 Å²	148	134.9 Å²	134.9	64%	0.643	76%	0.764	S	S	*	*			trans	69.3	122	139.4	-73.3	179.8	165.3	-82.4	0	127.9
307	E	31.7	Very low	31.1	Very low	163 Å²	163	134 Å²	134	76%	0.762	76%	0.764	S	S	*	*				70.1	139.4	121.3	-68.2	159.3	-171	0	0	125.2
308	G	27.5	Very low	31.9	Very low	76 Å²	76	131 Å²	131	78%	0.784	76%	0.761	S	S	*	*			trans	158.8	144.5	169.7	0	0	0	0	0	113.6
309	E	34.8	Very low	31.8	Very low	194 Å²	194	139.7 Å²	139.7	91%	0.907	77%	0.774	S	S	*	*			trans	-133.3	166.6	-171.3	-67.3	-175.1	121.1	0	0	115.7
310	N	31.2	Very low	31.7	Very low	151 Å²	151	143.6 Å²	143.6	81%	0.807	78%	0.779	S	S	*	*			trans	96.7	173.8	146.1	-109.2	12.5	0	0	0	123.7
311	E	36.5	Very low	31.4	Very low	161 Å²	161	140 Å²	140	75%	0.752	77%	0.774	S	S	*	*			trans	-94.7	171.8	-142.6	-55.2	-176.5	98.7	0	0	118.5
312	G	29	Very low	31.7	Very low	65 Å²	65	142.5 Å²	142.5	67%	0.67	77%	0.774	S	S	*	*			trans	-172.1	127.1	160.2	0	0	0	0	0	115.1
313	K	35.6	Very low	31.9	Very low	172 Å²	172	146.1 Å²	146.1	75%	0.748	78%	0.784	S	S	*	*			trans	-114.3	152.4	179.8	-141.3	176.1	-165.5	163.9	0	110.5	N433	K313-N433 HydrophobicContact CB-CB 4.4Å; K313-N433 VanDerWaalsContact CB-CG 3.47Å; K313-N433 WeakPolarHBondContact CB-OD1 3.07Å; K313-N433 PolarHBondContact N-OD1 2.9Å; K313-N433 PolarHBondContact O-ND2 3.15Å
314	G	28.2	Very low	32.3	Very low	76 Å²	76	143.7 Å²	143.7	78%	0.784	78%	0.782	S	S	*	*			trans	-165.3	150.2	176.4	0	0	0	0	0	115.2
315	K	32.5	Very low	32.6	Very low	190 Å²	190	147.1 Å²	147.1	83%	0.826	80%	0.797	S	S	*	*			trans	-120.9	149.2	178.7	-67.9	178.9	179.1	175.1	0	111.3
316	N	27.4	Very low	32.9	Very low	164 Å²	164	145.4 Å²	145.4	88%	0.877	80%	0.797	S	S	*	*			trans	154.5	148.3	134.9	-76.8	-22.5	0	0	0	111.9
317	G	25.1	Very low	33.2	Very low	71 Å²	71	146.5 Å²	146.5	73%	0.732	80%	0.804	S	S	*	*			trans	-121	-148.4	168	0	0	0	0	0	110.4
318	P	50.2	Low	33.4	Very low	127 Å²	127	147 Å²	147	83%	0.825	80%	0.804	S	S	*	*			cis	-126.4	164.4	-27.5	39.6	-27.2	0	0	0	112
319	R	26.3	Very low	33.7	Very low	248 Å²	248	151 Å²	151	94%	0.936	80%	0.802	S	S	*	*			trans	-149.8	144.3	165.7	-69.9	-164	179.7	-173.3	0.5	114.1
320	D	29.6	Very low	33.8	Very low	151 Å²	151	149 Å²	149	81%	0.807	79%	0.793	S	S	*	*			trans	-71.4	148.6	176.8	-53.6	-109.8	0	0	0	114.7
321	V	29.3	Very low	33.9	Very low	137 Å²	137	145.9 Å²	145.9	83%	0.83	78%	0.783	S	S	*	*			trans	-138.1	134.9	150.3	-179.5	0	0	0	0	109.4
322	K	33.8	Very low	33.8	Very low	194 Å²	194	143.5 Å²	143.5	84%	0.843	78%	0.775	S	S	*	*			trans	-99.9	140.7	173.3	-63	171.9	-179	171.4	0	110.4
323	T	34.5	Very low	34	Very low	136 Å²	136	147.9 Å²	147.9	83%	0.834	78%	0.778	S	S	*	*			trans	-137.5	155.5	164.8	30.1	0	0	0	0	111.3
324	P	40.3	Very low	34.1	Very low	112 Å²	112	146 Å²	146	73%	0.727	77%	0.774	S	S	*	*			trans	-112.2	166	-142.8	40.2	-34.6	0	0	0	116.8	S326	P324-S326 PolarHBondContact O-N 3.08Å
325	K	37.9	Very low	34.5	Very low	219 Å²	219	146.3 Å²	146.3	95%	0.952	77%	0.77	S	S	*	*	S	Bend	trans	-72.9	108.1	170.7	-61.4	178.8	178.8	-176.8	0	111.4
326	S	37.6	Very low	34.7	Very low	98 Å²	98	144.5 Å²	144.5	69%	0.685	77%	0.768	S	S	*	*			trans	-153.2	-16.9	160.9	68.3	0	0	0	0	116.7	P324 F328	P324-S326 PolarHBondContact O-N 3.08Å; S326-F328 PolarHBondContact O-N 3.36Å
327	Q	38.5	Very low	35.2	Very low	171 Å²	171	140.9 Å²	140.9	80%	0.799	76%	0.761	S	S	*	*	S	Bend	trans	-85.9	1.2	-171.2	-73.8	-175.4	-24	0	0	116.4
328	F	35.2	Very low	35.3	Very low	174 Å²	174	141.3 Å²	141.3	76%	0.763	77%	0.766	S	S	*	*	S	Bend	trans	-83.9	-30.8	-176.6	-158.7	-104.5	0	0	0	114.2	S326	S326-F328 PolarHBondContact O-N 3.36Å
329	H	35.3	Very low	34.3	Very low	161 Å²	161	139 Å²	139	75%	0.745	77%	0.765	S	S	*	*	S	Bend	trans	-78.5	-23.1	-176	-92.2	-92.3	0	0	0	114.4
330	Q	35	Very low	34.4	Very low	150 Å²	150	134.7 Å²	134.7	70%	0.701	76%	0.76	S	S	*	*	H	α-helix	trans	-81.4	-21.1	-175.7	-161.8	166.2	19.6	0	0	113.4
331	S	34.8	Very low	34.3	Very low	86 Å²	86	137.5 Å²	137.5	60%	0.601	77%	0.765	S	S	*	*	H	α-helix	trans	-79.8	-18.8	178.6	-53.7	0	0	0	0	113.6
332	L	34.3	Very low	34.4	Very low	112 Å²	112	140.2 Å²	140.2	59%	0.586	77%	0.765	S	S	*	*	H	α-helix	trans	-83.8	-35.2	-173.1	-149	76.9	0	0	0	113.2
333	E	33.5	Very low	34.1	Very low	156 Å²	156	139.4 Å²	139.4	73%	0.729	77%	0.769	S	S	*	*	H	α-helix	trans	-72.9	-30.5	178.2	-66.9	-169.3	137.2	0	0	112.8	A335 L336	E333-A335 VanDerWaalsContact C-N 3.3Å; E333-A335 PolarHBondContact O-N 3.29Å; E333-L336 PolarHBondContact O-N 3.5Å
334	I	37.9	Very low	33.6	Very low	132 Å²	132	137.2 Å²	137.2	68%	0.677	76%	0.759	S	S	*	*	H	α-helix	trans	-69.3	-29.6	-179.2	-62.1	175.5	0	0	0	111.5
335	A	36.3	Very low	32.9	Very low	84 Å²	84	138 Å²	138	69%	0.694	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-16.7	178.9	0	0	0	0	0	114.3	E333	E333-A335 VanDerWaalsContact C-N 3.3Å; E333-A335 PolarHBondContact O-N 3.29Å
336	L	35.2	Very low	32.4	Very low	151 Å²	151	136.6 Å²	136.6	79%	0.791	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	2.1	-173.2	-66.8	173.3	0	0	0	114	E333	E333-L336 PolarHBondContact O-N 3.5Å
337	A	37.9	Very low	31.8	Very low	88 Å²	88	137.1 Å²	137.1	73%	0.727	76%	0.757	S	S	*	*	S	Bend	trans	-126.6	46.3	-169.7	0	0	0	0	0	114.4
338	G	28.4	Very low	32.2	Very low	80 Å²	80	133.8 Å²	133.8	83%	0.825	75%	0.751	S	S	*	*			trans	-149.1	105	176.4	0	0	0	0	0	113.5
339	G	28.6	Very low	31.7	Very low	78 Å²	78	133.5 Å²	133.5	80%	0.804	76%	0.756	S	S	*	*			trans	179.3	9.8	-179.1	0	0	0	0	0	119.6
340	L	27.9	Very low	31.4	Very low	158 Å²	158	130 Å²	130	83%	0.827	76%	0.755	S	S	*	*			trans	-157.6	107.3	173.7	-114.3	176.6	0	0	0	113.4
341	K	28	Very low	30.9	Very low	210 Å²	210	127.2 Å²	127.2	91%	0.913	76%	0.758	S	S	*	*			trans	-146.1	121.7	151.4	-80.3	-161.8	176.2	-179.7	0	110
342	K	30.8	Very low	30.5	Very low	194 Å²	194	129.9 Å²	129.9	84%	0.843	77%	0.771	S	S	*	*			trans	-79	152.8	161.8	-62.6	-178.1	178.3	-175.5	0	109.3
343	L	27.6	Very low	30.2	Very low	177 Å²	177	128.9 Å²	128.9	93%	0.927	78%	0.778	S	S	*	*			trans	-152.1	151.3	146.1	-108.2	167.7	0	0	0	107.5
344	S	25.3	Very low	29.8	Very low	90 Å²	90	132.6 Å²	132.6	63%	0.629	79%	0.786	S	S	*	*			trans	-128.9	163.6	-173.4	66	0	0	0	0	111.9
345	D	25.8	Very low	29.1	Very low	128 Å²	128	132.1 Å²	132.1	68%	0.684	79%	0.793	S	S	*	*			trans	60.5	119.9	158.3	-45.1	-49.8	0	0	0	118.9
346	H	27.5	Very low	28.4	Very low	191 Å²	191	136.8 Å²	136.8	88%	0.884	80%	0.8	S	S	*	*				-174.6	153.1	103.2	-95.7	-69	0	0	0	113.1
347	S	24	Very low	28.8	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	79%	0.793	S	S	*	*			trans	-143	173.5	170.1	-136.8	0	0	0	0	106.4
348	P	46.2	Very low	28	Very low	101 Å²	101	135.3 Å²	135.3	66%	0.656	80%	0.795	S	S	*	*			cis	-145.5	-161.5	23.8	34	-7.5	0	0	0	116.3
349	L	25.8	Very low	28.4	Very low	168 Å²	168	137.1 Å²	137.1	88%	0.88	79%	0.792	S	S	*	*			trans	81	147.9	165.1	-52.6	171.6	0	0	0	117.8
350	A	27.9	Very low	28.4	Very low	88 Å²	88	142.2 Å²	142.2	73%	0.727	80%	0.795	S	S	*	*			cis	-170.4	166.9	-23.4	0	0	0	0	0	112.2
351	A	25.6	Very low	28.2	Very low	92 Å²	92	144.8 Å²	144.8	76%	0.76	80%	0.8	S	S	*	*			trans	99.5	108.3	147	0	0	0	0	0	124.2
352	V	26.1	Very low	28.2	Very low	142 Å²	142	141.4 Å²	141.4	86%	0.861	79%	0.791	S	S	*	*				71.6	108.7	126.5	-175.7	0	0	0	0	123.4
353	A	26.8	Very low	28.5	Very low	91 Å²	91	137.9 Å²	137.9	75%	0.752	79%	0.788	S	S	*	*				-179.1	126.7	118.5	0	0	0	0	0	109
354	R	25.5	Very low	28.4	Very low	233 Å²	233	137.8 Å²	137.8	88%	0.879	78%	0.783	S	S	*	*				59.2	127.3	68.4	-84.3	-173	176.9	179	-0.8	113.5
355	C	23	Very low	29.1	Very low	123 Å²	123	139.2 Å²	139.2	83%	0.831	79%	0.79	S	S	*	*			cis	-142.1	-175.1	25.7	-88.5	0	0	0	0	116.1
356	Q	22.2	Very low	29.2	Very low	182 Å²	182	138.2 Å²	138.2	85%	0.85	79%	0.793	S	S	*	*			trans	-135.5	-174.4	-179.3	-102.2	-168.1	3.5	0	0	108.8
357	P	42.9	Very low	29.9	Very low	97 Å²	97	135.2 Å²	135.2	63%	0.63	79%	0.791	S	S	*	*			cis	-142.4	-171	-44.1	41.8	-24.2	0	0	0	114.5
358	S	22.9	Very low	30.2	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	79%	0.793	S	S	*	*			trans	73.3	167.8	148.4	-64.1	0	0	0	0	119.6
359	P	36.2	Very low	29.8	Very low	119 Å²	119	136.9 Å²	136.9	77%	0.773	80%	0.796	S	S	*	*			cis	-131	-173.1	6.8	43.9	-26.9	0	0	0	117.8
360	Q	27.8	Very low	30	Very low	185 Å²	185	133.8 Å²	133.8	86%	0.864	79%	0.789	S	S	*	*			trans	-82.4	171.8	-168.3	-49.1	140.8	-58	0	0	116.2
361	K	23.5	Very low	29.9	Very low	212 Å²	212	138.6 Å²	138.6	92%	0.922	80%	0.796	S	S	*	*			trans	-155.7	150.6	134.9	-120.3	175.5	-176.6	-179.6	0	113.5
362	N	28.2	Very low	30.9	Very low	138 Å²	138	139.2 Å²	139.2	74%	0.738	79%	0.793	S	S	*	*			trans	-153.7	148.5	175.5	-166	15.1	0	0	0	107.9
363	P	38	Very low	31.9	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	79%	0.786	S	S	*	*				-152.9	176.4	111	39	-20.3	0	0	0	116.8
364	Q	25.8	Very low	31.9	Very low	176 Å²	176	141.9 Å²	141.9	82%	0.822	79%	0.79	S	S	*	*			trans	-85.9	-168.8	174.2	-63.1	-168	-27.8	0	0	112.6
365	P	39.3	Very low	32.1	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	79%	0.785	S	S	*	*			cis	-140.6	-168.9	3.4	42.8	-21.2	0	0	0	117.8
366	S	28.7	Very low	32.5	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	78%	0.783	S	S	*	*			trans	-78.9	176	-178.4	-33.9	0	0	0	0	115.9
367	P	41.4	Very low	33	Very low	127 Å²	127	138.1 Å²	138.1	83%	0.825	78%	0.779	S	S	*	*				-143.3	177.2	119.7	40	-27.2	0	0	0	115.8
368	V	30.1	Very low	32.4	Very low	132 Å²	132	142.5 Å²	142.5	80%	0.8	79%	0.791	S	S	*	*			trans	-141.6	143.5	-179.7	173.5	0	0	0	0	111
369	P	39	Very low	32.7	Very low	112 Å²	112	141 Å²	141	73%	0.727	79%	0.794	S	S	*	*			trans	-134.3	146.4	136.8	32	-16.7	0	0	0	111.5
370	S	28.1	Very low	32.3	Very low	104 Å²	104	140.8 Å²	140.8	73%	0.727	80%	0.795	S	S	*	*			cis	69.1	126	43.3	75.9	0	0	0	0	115.2
371	Q	26.9	Very low	32.3	Very low	188 Å²	188	138.2 Å²	138.2	88%	0.879	79%	0.786	S	S	*	*			cis	-161.4	-173.7	-14.9	-123.2	-154	-35.9	0	0	108.6
372	P	47.2	Very low	32.6	Very low	106 Å²	106	137.6 Å²	137.6	69%	0.688	78%	0.779	S	S	*	*			trans	-94.5	-169.5	-163.3	47.2	-44.2	0	0	0	113.3
373	P	45.7	Very low	32.6	Very low	112 Å²	112	137.8 Å²	137.8	73%	0.727	78%	0.775	S	S	*	*				-147.7	-163.2	60.8	35.1	-9.4	0	0	0	116.6
374	E	26.8	Very low	32.1	Very low	176 Å²	176	139.9 Å²	139.9	82%	0.822	78%	0.779	S	S	*	*			trans	101.3	151.3	161.3	-57	-172.5	-178.1	0	0	118.8
375	D	31.5	Very low	32.1	Very low	147 Å²	147	137.8 Å²	137.8	79%	0.786	77%	0.769	S	S	*	*			trans	-124.7	-168	-143	-59.6	-84.2	0	0	0	114.4
376	D	30.8	Very low	31.7	Very low	146 Å²	146	140 Å²	140	78%	0.781	77%	0.774	S	S	*	*			trans	79.8	100.2	159.1	-60.8	-15.7	0	0	0	122.3
377	E	31.4	Very low	32.2	Very low	166 Å²	166	140.1 Å²	140.1	78%	0.776	77%	0.772	S	S	*	*				88.3	140.6	119	-69	-62.9	179.1	0	0	126.4
378	E	30.6	Very low	31.5	Very low	189 Å²	189	141.9 Å²	141.9	88%	0.883	77%	0.774	S	S	*	*			trans	22.4	144.1	165.1	-81.8	-167.5	140.8	0	0	125.7
379	G	29	Very low	31.5	Very low	80 Å²	80	140.4 Å²	140.4	83%	0.825	78%	0.776	S	S	*	*			trans	169.2	93.3	164.4	0	0	0	0	0	114.2
380	S	29.3	Very low	30.9	Very low	113 Å²	113	142.3 Å²	142.3	79%	0.79	78%	0.78	S	S	*	*			trans	-97.9	-175.4	179.5	-167.1	0	0	0	0	113.1
381	I	26.8	Very low	31	Very low	131 Å²	131	145.8 Å²	145.8	67%	0.672	79%	0.785	S	S	*	*			trans	75.4	133.2	162.4	-72.1	178	0	0	0	116.9
382	Y	30.1	Very low	30.9	Very low	200 Å²	200	140.3 Å²	140.3	78%	0.784	78%	0.779	S	S	*	*			cis	-154.2	165.2	-14.5	-104.8	-39.8	0	0	0	112.3
383	E	27.3	Very low	30	Very low	142 Å²	142	139.7 Å²	139.7	66%	0.664	78%	0.783	S	S	*	*			trans	-0.3	152.1	146.4	-170.3	176.4	-139.8	0	0	122.3	Q385	E383-Q385 PolarHBondContact OE2-NE2 3.47Å
384	L	29.3	Very low	29.2	Very low	164 Å²	164	146.4 Å²	146.4	86%	0.859	79%	0.794	S	S	*	*			trans	-150.8	147.1	152.5	-114.6	170.1	0	0	0	112.8
385	Q	25.6	Very low	29.2	Very low	132 Å²	132	147 Å²	147	62%	0.617	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-93.5	170.8	-159.7	-73	80.7	4.7	0	0	117.7	E383	E383-Q385 PolarHBondContact OE2-NE2 3.47Å
386	L	29.8	Very low	28.9	Very low	166 Å²	166	147.5 Å²	147.5	87%	0.869	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-75.1	152.9	154.5	-73.4	166.9	0	0	0	111
387	P	40.7	Very low	28.6	Very low	109 Å²	109	145.2 Å²	145.2	71%	0.708	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-83.2	136.6	-172.4	32.3	-35.3	0	0	0	115
388	D	26.2	Very low	28.3	Very low	164 Å²	164	142.5 Å²	142.5	88%	0.877	79%	0.79	S	S	*	*			trans	47.3	143.7	144.2	-55.3	-29.2	0	0	0	122.8
389	A	29.5	Very low	28	Very low	101 Å²	101	138.4 Å²	138.4	84%	0.835	78%	0.782	S	S	*	*			trans	-139.1	164.5	171.2	0	0	0	0	0	109.4
390	D	27.2	Very low	28	Very low	152 Å²	152	145.4 Å²	145.4	81%	0.813	78%	0.784	S	S	*	*			trans	-153.8	157.5	153.9	-153.4	5	0	0	0	113.4
391	E	28.7	Very low	27.9	Very low	178 Å²	178	145.9 Å²	145.9	83%	0.832	78%	0.777	S	S	*	*			trans	61.4	151.3	161.6	-82.4	-83.7	88.2	0	0	121.2
392	G	26.6	Very low	27.8	Very low	73 Å²	73	145.4 Å²	145.4	75%	0.753	78%	0.776	S	S	*	*			trans	114.1	60	151.6	0	0	0	0	0	119.3
393	A	28	Very low	27.7	Very low	93 Å²	93	142.4 Å²	142.4	77%	0.769	77%	0.773	S	S	*	*			trans	-82.2	134.4	173.4	0	0	0	0	0	114.3
394	R	28.9	Very low	27.7	Very low	252 Å²	252	143 Å²	143	95%	0.951	78%	0.775	S	S	*	*				172.7	155.8	128.5	-93.3	155.2	-172.8	178.1	4.1	114.6
395	K	25.6	Very low	27.5	Very low	190 Å²	190	143.2 Å²	143.2	83%	0.826	77%	0.772	S	S	*	*			trans	-92.2	145.8	169.5	-55.5	174.3	-180	178.6	0	110.2
396	L	25.7	Very low	27.7	Very low	157 Å²	157	143.5 Å²	143.5	82%	0.822	78%	0.782	S	S	*	*				163.8	126.5	116.7	-91.7	158.4	0	0	0	115.9
397	S	23.6	Very low	27.7	Very low	97 Å²	97	141.2 Å²	141.2	68%	0.678	78%	0.778	S	S	*	*			trans	38.9	125.5	140.2	64.3	0	0	0	0	124
398	S	24.9	Very low	27	Very low	109 Å²	109	143 Å²	143	76%	0.762	78%	0.776	S	S	*	*				54.8	125.3	125.5	-156.1	0	0	0	0	119.1
399	S	26.3	Very low	27.2	Very low	103 Å²	103	143.4 Å²	143.4	72%	0.72	78%	0.777	S	S	*	*				-171.3	164.5	61.5	-58.3	0	0	0	0	114.3
400	R	27.3	Very low	27.1	Very low	228 Å²	228	147.7 Å²	147.7	86%	0.86	77%	0.772	S	S	*	*			trans	-22.4	142.2	156.6	-67.8	179.6	151.5	151.6	-6.9	114.9
401	N	27.2	Very low	27.1	Very low	122 Å²	122	147 Å²	147	65%	0.652	77%	0.773	S	S	*	*			cis	-160.5	-170.4	10	-120.2	31.5	0	0	0	108.4
402	D	25.7	Very low	27.1	Very low	121 Å²	121	146.9 Å²	146.9	65%	0.647	77%	0.772	S	S	*	*			cis	-158.9	-178	13.8	-135.7	-41.3	0	0	0	113.1
403	L	26.8	Very low	27.3	Very low	137 Å²	137	153.6 Å²	153.6	72%	0.717	78%	0.776	S	S	*	*			trans	28.8	103.8	154.2	-67	169.7	0	0	0	120.5
404	H	27.6	Very low	27.4	Very low	155 Å²	155	155.5 Å²	155.5	72%	0.718	78%	0.78	S	S	*	*				-174.6	169.5	97.8	-110.9	-88.1	0	0	0	113.6
405	E	26.5	Very low	27.3	Very low	168 Å²	168	148.5 Å²	148.5	79%	0.785	78%	0.776	S	S	*	*			trans	-46	142	-166.9	-66.7	146.2	103.3	0	0	119.6
406	V	28.1	Very low	27.5	Very low	138 Å²	138	151.6 Å²	151.6	84%	0.836	78%	0.783	S	S	*	*			trans	-106.2	133.2	161.3	176.3	0	0	0	0	109
407	P	31.3	Very low	27.6	Very low	118 Å²	118	154.2 Å²	154.2	77%	0.766	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-82.4	152.2	-169.2	31.6	-36.3	0	0	0	115.2
408	Q	25.4	Very low	27.9	Very low	146 Å²	146	156.2 Å²	156.2	68%	0.682	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-77.6	131.3	174.7	-65.3	-176.4	-8.8	0	0	112.5
409	I	29.8	Very low	28.2	Very low	173 Å²	173	160.6 Å²	160.6	89%	0.887	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-87.1	122.2	159.3	-61.8	176.8	0	0	0	108.2
410	R	27.5	Very low	29.2	Very low	192 Å²	192	161.3 Å²	161.3	73%	0.725	79%	0.787	S	S	*	*			trans	-112.3	139.4	177	-71.4	-172.2	178	-164.7	-0.3	111.7
411	V	28.1	Very low	29.3	Very low	138 Å²	138	154.9 Å²	154.9	84%	0.836	78%	0.784	S	S	*	*			trans	-84	137.6	173.7	-178.9	0	0	0	0	110
412	H	27.4	Very low	29.5	Very low	175 Å²	175	158.2 Å²	158.2	81%	0.81	80%	0.795	S	S	*	*			trans	-88.3	143.4	-177.1	-84.9	-99.8	0	0	0	113.8
413	Y	31.3	Very low	29.6	Very low	214 Å²	214	155.8 Å²	155.8	84%	0.839	80%	0.798	S	S	*	*			trans	-116.7	150.5	153.3	-77.9	-88	0	0	0	109.1
414	P	30.9	Very low	30.8	Very low	132 Å²	132	155.6 Å²	155.6	86%	0.857	81%	0.805	S	S	*	*			trans	-73.6	156.1	-177.1	29.7	-34.9	0	0	0	113.4
415	A	27.2	Very low	30.8	Very low	105 Å²	105	153.5 Å²	153.5	87%	0.868	81%	0.808	S	S	*	*			trans	-101.6	161.5	-160.6	0	0	0	0	0	116
416	R	28.1	Very low	30.9	Very low	256 Å²	256	153 Å²	153	97%	0.966	81%	0.811	S	S	*	*			trans	-111.4	147.4	160.1	-162.5	176.3	-172.4	-175.1	2.7	109
417	R	28.7	Very low	30.8	Very low	211 Å²	211	150.6 Å²	150.6	80%	0.796	81%	0.805	S	S	*	*			trans	-105.8	142.2	-158.8	-130.8	-176	125.2	166.2	-6.1	114.3
418	E	29.6	Very low	30.7	Very low	140 Å²	140	151.4 Å²	151.4	65%	0.654	81%	0.808	S	S	*	*			trans	74.4	105.9	154.7	-42.6	-155	150.3	0	0	121.5
419	K	32.3	Very low	31.8	Very low	201 Å²	201	149.1 Å²	149.1	87%	0.874	81%	0.806	S	S	*	*				27.9	160	106.6	-76.3	-171.3	175.7	-177.8	0	120
420	P	47.3	Very low	31.6	Very low	117 Å²	117	149 Å²	149	76%	0.76	80%	0.802	S	S	*	*			cis	-141.8	177.4	-35	40.6	-24.1	0	0	0	113.8
421	A	28.8	Very low	31.7	Very low	94 Å²	94	146 Å²	146	78%	0.777	80%	0.8	S	S	*	*			trans	155.4	161.8	133	0	0	0	0	0	114.4
422	H	31.4	Very low	31.6	Very low	192 Å²	192	147.9 Å²	147.9	89%	0.889	80%	0.799	S	S	*	*			trans	-64.8	155.3	-169.5	-54.3	-93.9	0	0	0	116.5
423	G	27	Very low	32	Very low	70 Å²	70	143.1 Å²	143.1	72%	0.722	78%	0.779	S	S	*	*			trans	-93	-150.8	165	0	0	0	0	0	112.6
424	P	53.5	Low	32.6	Very low	132 Å²	132	138.2 Å²	138.2	86%	0.857	77%	0.774	S	S	*	*			cis	-133.9	-170.1	7.3	42.9	-25.8	0	0	0	115.3
425	S	27.6	Very low	32.5	Very low	111 Å²	111	137.3 Å²	137.3	78%	0.776	77%	0.766	S	S	*	*			trans	94.3	120.1	152	-138.4	0	0	0	0	121.1
426	D	26.7	Very low	32.8	Very low	159 Å²	159	139.7 Å²	139.7	85%	0.85	76%	0.759	S	S	*	*			trans	73.6	159.2	139	-125.6	-26	0	0	0	124.1
427	A	27.6	Very low	33.9	Very low	87 Å²	87	132.1 Å²	132.1	72%	0.719	74%	0.743	S	S	*	*			trans	70	129.2	160.7	0	0	0	0	0	122
428	T	28	Very low	34.8	Very low	134 Å²	134	127.4 Å²	127.4	82%	0.822	74%	0.74	S	S	*	*			trans	-95.2	178.9	152.7	51.8	0	0	0	0	109.1
429	P	48.6	Very low	35.5	Very low	99 Å²	99	125.6 Å²	125.6	64%	0.643	74%	0.74	S	S	*	*			cis	-136.4	-163	3.5	42.8	-22.9	0	0	0	114.5
430	E	26.6	Very low	35.4	Very low	170 Å²	170	124.3 Å²	124.3	79%	0.794	74%	0.741	S	S	*	*			trans	65.5	162.9	150.5	-79	178.9	149.6	0	0	119.4
431	L	28.5	Very low	34.9	Very low	130 Å²	130	126.2 Å²	126.2	68%	0.681	74%	0.744	S	S	*	*			cis	-159.1	179.8	-29.3	-168.4	63.7	0	0	0	108.6
432	E	27.2	Very low	35.7	Very low	177 Å²	177	127.6 Å²	127.6	83%	0.827	75%	0.745	S	S	*	*			trans	80.9	164.1	159	-52.8	-151.6	144.5	0	0	121.2
433	N	35.3	Very low	35.9	Very low	74 Å²	74	129 Å²	129	40%	0.396	74%	0.743	S	S	.	*			trans	176.2	131.6	-168.8	147.5	102.4	0	0	0	110.5	K313	K313-N433 HydrophobicContact CB-CB 4.4Å; K313-N433 VanDerWaalsContact CB-CG 3.47Å; K313-N433 WeakPolarHBondContact CB-OD1 3.07Å; K313-N433 PolarHBondContact N-OD1 2.9Å; K313-N433 PolarHBondContact O-ND2 3.15Å
434	P	43.6	Very low	36.2	Very low	112 Å²	112	131.5 Å²	131.5	73%	0.727	74%	0.744	S	S	*	*			trans	-148.8	127.8	156	34	-13.5	0	0	0	118.6
435	T	28.3	Very low	35.8	Very low	113 Å²	113	130 Å²	130	69%	0.693	73%	0.734	S	S	*	*				68	105.2	128.5	-43.2	0	0	0	0	124
436	E	33.3	Very low	35.8	Very low	155 Å²	155	131.6 Å²	131.6	72%	0.724	74%	0.739	S	S	*	*				34.8	166	113.8	-104	-159.8	144.6	0	0	123.6
437	P	51.4	Low	35.9	Very low	96 Å²	96	131.3 Å²	131.3	62%	0.623	74%	0.737	S	S	*	*			cis	-131.1	-140.2	-15	41.6	-21.4	0	0	0	110.5
438	P	49	Very low	35.8	Very low	113 Å²	113	130.6 Å²	130.6	73%	0.734	74%	0.739	S	S	*	*			cis	-124.8	-122.1	-25.5	33.6	-8.9	0	0	0	110.8
439	P	43.1	Very low	35.8	Very low	101 Å²	101	130 Å²	130	66%	0.656	74%	0.74	S	S	*	*			cis	-136.1	122.3	-38.8	33	-10.5	0	0	0	118.3
440	I	31.5	Very low	35.3	Very low	174 Å²	174	130.7 Å²	130.7	89%	0.892	74%	0.744	S	S	*	*			trans	72.8	147.2	133.5	-59.2	176.5	0	0	0	122.8
441	L	35.1	Very low	35.1	Very low	158 Å²	158	128.5 Å²	128.5	83%	0.827	74%	0.742	S	S	*	*			trans	-106.1	170.3	-167.3	-61.3	161	0	0	0	115.9
442	P	47.1	Very low	34.9	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	75%	0.749	S	S	*	*				-146.1	164.5	125.6	34	-17	0	0	0	116.8
443	R	33.9	Very low	34.8	Very low	220 Å²	220	129.2 Å²	129.2	83%	0.83	75%	0.747	S	S	*	*			cis	-178.4	140.8	-33.8	-138.7	-173	173.6	168.5	-0.6	113.6
444	V	35.2	Very low	34.3	Very low	124 Å²	124	130.1 Å²	130.1	75%	0.752	76%	0.759	S	S	*	*			trans	57.4	169.7	151.4	-78.3	0	0	0	0	120.5
445	P	43.6	Very low	33.4	Very low	101 Å²	101	132 Å²	132	66%	0.656	76%	0.763	S	S	*	*			cis	-133.6	157.7	9.2	40.7	-23.1	0	0	0	120.2
446	V	28.6	Very low	33.3	Very low	143 Å²	143	134.9 Å²	134.9	87%	0.867	77%	0.773	S	S	*	*			trans	-131.4	110.7	141.6	178.2	0	0	0	0	108.4
447	N	28.3	Very low	32.9	Very low	154 Å²	154	132.4 Å²	132.4	82%	0.824	77%	0.773	S	S	*	*			trans	-102.2	164.7	159	-68.3	-17.4	0	0	0	106.8
448	G	26.2	Very low	31.7	Very low	72 Å²	72	135.3 Å²	135.3	74%	0.742	78%	0.781	S	S	*	*			cis	151	137.1	2.4	0	0	0	0	0	109.1
449	S	26.7	Very low	30.5	Very low	121 Å²	121	134.8 Å²	134.8	85%	0.846	78%	0.78	S	S	*	*			trans	-67.1	168.8	173.1	-47.5	0	0	0	0	111.1
450	P	38.5	Very low	29.8	Very low	114 Å²	114	140.8 Å²	140.8	74%	0.74	79%	0.79	S	S	*	*			cis	-156.8	174.6	28.6	45.9	-24.2	0	0	0	120.8
451	V	23.1	Very low	29.4	Very low	123 Å²	123	139.1 Å²	139.1	75%	0.745	79%	0.787	S	S	*	*			trans	75.3	144.2	133.6	156.1	0	0	0	0	124.7
452	Y	23.9	Very low	29.2	Very low	212 Å²	212	140.2 Å²	140.2	83%	0.831	78%	0.78	S	S	*	*			trans	76.2	114.3	159.9	-90.6	-52	0	0	0	123.6
453	S	24.5	Very low	28.3	Very low	111 Å²	111	140.4 Å²	140.4	78%	0.776	78%	0.782	S	S	*	*				143.7	149.1	123.7	-63.3	0	0	0	0	113.1
454	S	25.5	Very low	28	Very low	93 Å²	93	136.5 Å²	136.5	65%	0.65	77%	0.773	S	S	*	*			cis	-171.7	143.7	-41.6	48.3	0	0	0	0	110.9
455	N	24.3	Very low	28.6	Very low	151 Å²	151	135.8 Å²	135.8	81%	0.807	77%	0.771	S	S	*	*			trans	46.4	113.7	151.5	-56.9	-16.2	0	0	0	121.4
456	L	26.3	Very low	28.1	Very low	173 Å²	173	137.1 Å²	137.1	91%	0.906	78%	0.779	S	S	*	*				179.3	163.8	101.2	-100.3	165.9	0	0	0	113.4
457	S	25.2	Very low	28	Very low	103 Å²	103	139.8 Å²	139.8	72%	0.72	78%	0.78	S	S	*	*			trans	-151.9	155.6	-176.5	60.9	0	0	0	0	112.8
458	I	26	Very low	27.8	Very low	157 Å²	157	139.4 Å²	139.4	81%	0.805	78%	0.783	S	S	*	*			trans	-163.2	114.4	167.8	-96.9	139.5	0	0	0	105.1
459	S	25	Very low	27.8	Very low	102 Å²	102	141.5 Å²	141.5	71%	0.713	79%	0.786	S	S	*	*				67.5	135.4	77.5	-63.4	0	0	0	0	112.6
460	R	26.5	Very low	29	Very low	228 Å²	228	141 Å²	141	86%	0.86	78%	0.78	S	S	*	*			cis	-154.3	144.1	32.6	-86.4	-164.5	173.7	167.2	-0.3	115.5
461	V	25	Very low	28.9	Very low	138 Å²	138	141.2 Å²	141.2	84%	0.836	78%	0.781	S	S	*	*				78.4	152.9	125.5	178	0	0	0	0	121.9
462	R	30.2	Very low	29.2	Very low	181 Å²	181	140.4 Å²	140.4	68%	0.683	78%	0.781	S	S	*	*			trans	-106	160.9	-165.7	-176.4	-172.2	-167	173.5	9.3	112.2
463	P	28.7	Very low	29.4	Very low	127 Å²	127	135.9 Å²	135.9	83%	0.825	78%	0.78	S	S	*	*			trans	-126.2	172.7	131.7	1.6	20.3	0	0	0	115.4
464	Q	27.2	Very low	30.2	Very low	139 Å²	139	136 Å²	136	65%	0.65	78%	0.779	S	S	*	*			trans	-112.2	166.2	178.4	-80.5	-96.8	38.9	0	0	110.3
465	P	47.8	Very low	30.4	Very low	108 Å²	108	139.5 Å²	139.5	70%	0.701	79%	0.789	S	S	*	*			trans	-89	162.8	-173.1	36.4	-36.4	0	0	0	114.2
466	P	32.2	Very low	30.9	Very low	129 Å²	129	140 Å²	140	84%	0.838	79%	0.791	S	S	*	*			trans	-140.5	176.3	140.1	38.8	-24.5	0	0	0	116.1
467	K	26.2	Very low	31.4	Very low	200 Å²	200	138 Å²	138	87%	0.87	79%	0.788	S	S	*	*			trans	-75.6	161.6	-175.2	-41.4	151.3	-175.5	174.4	0	113.5
468	T	25.4	Very low	31.4	Very low	146 Å²	146	138.7 Å²	138.7	90%	0.896	79%	0.792	S	S	*	*			trans	-160	160.3	141.5	21.2	0	0	0	0	112.1
469	S	25.5	Very low	31.4	Very low	115 Å²	115	142.8 Å²	142.8	80%	0.804	80%	0.797	S	S	*	*			trans	-145.4	-162.7	173.3	60.1	0	0	0	0	110.9
470	P	52.5	Low	31.9	Very low	110 Å²	110	143 Å²	143	71%	0.714	80%	0.796	S	S	*	*				-85.7	-179.8	-118.9	45.1	-37.2	0	0	0	114.8
471	P	37	Very low	32.9	Very low	119 Å²	119	137.9 Å²	137.9	77%	0.773	79%	0.793	S	S	*	*				-122.7	-174	85.9	41.7	-36.4	0	0	0	111.5
472	S	27.5	Very low	33.3	Very low	106 Å²	106	137.2 Å²	137.2	74%	0.741	79%	0.791	S	S	*	*			cis	-150.1	172.6	16.9	-56	0	0	0	0	112.7
473	S	29.8	Very low	33.2	Very low	117 Å²	117	132.8 Å²	132.8	82%	0.818	79%	0.793	S	S	*	*			trans	-152	155.3	153.8	-68.7	0	0	0	0	108.6
474	P	40.2	Very low	33.9	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	78%	0.784	S	S	*	*				-153.3	172	107.2	40.9	-23.9	0	0	0	117
475	L	29.1	Very low	34.1	Very low	167 Å²	167	131.2 Å²	131.2	87%	0.874	80%	0.795	S	S	*	*			trans	80.5	129.8	162.3	-49.8	-172.9	0	0	0	120.1
476	L	34.8	Very low	33.2	Very low	161 Å²	161	134 Å²	134	84%	0.843	80%	0.796	S	S	*	*			trans	-120.5	158.1	162.4	-68.5	168.5	0	0	0	107.7
477	P	37.5	Very low	33.1	Very low	131 Å²	131	133.3 Å²	133.3	85%	0.851	79%	0.789	S	S	*	*				-145.7	-168.4	104.6	36.2	-18.2	0	0	0	114.7
478	C	25.5	Very low	33.1	Very low	117 Å²	117	131.7 Å²	131.7	79%	0.791	79%	0.785	S	S	*	*			trans	-112.4	150.2	-154.7	-49.6	0	0	0	0	116.7
479	R	27	Very low	33.1	Very low	243 Å²	243	128.8 Å²	128.8	92%	0.917	77%	0.77	S	S	*	*			trans	61.5	169.1	149.9	-94.3	-169.9	171.4	-158.1	-0.7	118.5
480	P	34.9	Very low	33.2	Very low	108 Å²	108	134.5 Å²	134.5	70%	0.701	77%	0.774	S	S	*	*			cis	-126	-158.9	-32.9	42.9	-25.3	0	0	0	110.3
481	P	47.1	Very low	31.9	Very low	120 Å²	120	141.6 Å²	141.6	78%	0.779	79%	0.787	S	S	*	*			trans	-100.6	162	-166.8	40	-35.8	0	0	0	116.6
482	P	33.7	Very low	31.3	Very low	124 Å²	124	139.8 Å²	139.8	81%	0.805	78%	0.782	S	S	*	*			trans	-139.4	174.9	132.8	38.7	-26.4	0	0	0	112.6
483	A	28.6	Very low	31.2	Very low	87 Å²	87	139.8 Å²	139.8	72%	0.719	78%	0.782	S	S	*	*			cis	-169.4	146.2	-37.6	0	0	0	0	0	108.7
484	P	42.9	Very low	31.1	Very low	97 Å²	97	139.3 Å²	139.3	63%	0.63	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-81.1	151.8	178.5	33.1	-35.7	0	0	0	113	K486	P484-K486 PolarHBondContact O-N 2.83Å
485	P	31.8	Very low	30.4	Very low	136 Å²	136	140.2 Å²	140.2	88%	0.883	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-68.5	125.5	171.9	28.3	-33	0	0	0	111.4
486	K	27.8	Very low	30.4	Very low	168 Å²	168	135.6 Å²	135.6	73%	0.73	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-102.2	153.8	170.9	-57.3	169.2	-174	174.3	0	107	P484	P484-K486 PolarHBondContact O-N 2.83Å
487	T	29.7	Very low	29.9	Very low	114 Å²	114	136.7 Å²	136.7	70%	0.699	77%	0.766	S	S	*	*				170.5	158.5	81.8	44.6	0	0	0	0	108.7
488	H	26	Very low	29.4	Very low	166 Å²	166	137.6 Å²	137.6	77%	0.769	76%	0.759	S	S	*	*			cis	-162.8	146.3	-5.3	-117.2	-38.1	0	0	0	113.1
489	S	26.5	Very low	29.8	Very low	85 Å²	85	137.3 Å²	137.3	59%	0.594	76%	0.758	S	S	*	*				68.8	110.3	126.9	-171.9	0	0	0	0	122.9
490	R	28.1	Very low	29.7	Very low	235 Å²	235	132.4 Å²	132.4	89%	0.887	76%	0.755	S	S	*	*			trans	61.2	107.1	145.3	-59.9	177.4	-167	-165.1	3.8	119.5
491	R	24.7	Very low	29.4	Very low	259 Å²	259	134.9 Å²	134.9	98%	0.977	76%	0.762	S	S	*	*				-152.6	-179.9	110	-132.4	174.3	179	162	-0.6	111
492	A	24.2	Very low	28.5	Very low	81 Å²	81	137.8 Å²	137.8	67%	0.669	77%	0.771	S	S	*	*			trans	-105.9	160.3	-167	0	0	0	0	0	113.5
493	S	26.4	Very low	28.3	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	77%	0.766	S	S	*	*			trans	58.2	127.5	144	61.2	0	0	0	0	121.5
494	S	26.6	Very low	28.6	Very low	108 Å²	108	141 Å²	141	76%	0.755	77%	0.771	S	S	*	*			trans	95	145.3	134.8	85.1	0	0	0	0	120.9
495	V	26.1	Very low	28.1	Very low	132 Å²	132	144.2 Å²	144.2	80%	0.8	78%	0.778	S	S	*	*			trans	74	123.4	152.9	176.6	0	0	0	0	120.5
496	S	27.9	Very low	28.2	Very low	71 Å²	71	144.7 Å²	144.7	50%	0.497	77%	0.768	S	S	.	*			trans	47.9	140.6	149.7	-150.9	0	0	0	0	122.4	Q498	S496-Q498 PolarHBondContact OG-OE1 3.42Å
497	M	25.9	Very low	28.3	Very low	184 Å²	184	142.2 Å²	142.2	91%	0.906	76%	0.763	S	S	*	*			trans	-127.6	117	142.7	-87.7	-72.2	104.6	0	0	109.1
498	Q	25.7	Very low	28.5	Very low	150 Å²	150	145.1 Å²	145.1	70%	0.701	77%	0.766	S	S	*	*			trans	-77.3	158.7	170.3	-113.4	84.6	-1.7	0	0	111	S496	S496-Q498 PolarHBondContact OG-OE1 3.42Å
499	S	33.7	Very low	28.7	Very low	110 Å²	110	148.5 Å²	148.5	77%	0.769	77%	0.772	S	S	*	*			trans	-60.2	144	163.6	52.2	0	0	0	0	112.9
500	V	25.4	Very low	29.1	Very low	141 Å²	141	151.9 Å²	151.9	86%	0.855	78%	0.783	S	S	*	*			trans	-136.6	143.6	160.9	-75.9	0	0	0	0	110.7
501	N	29.5	Very low	29.2	Very low	159 Å²	159	144.3 Å²	144.3	85%	0.85	78%	0.779	S	S	*	*			trans	-88.2	162.8	177.3	-62.7	-42.3	0	0	0	111.5
502	L	26.5	Very low	30	Very low	182 Å²	182	141.4 Å²	141.4	95%	0.953	78%	0.776	S	S	*	*			trans	-138.6	154.4	158.7	-74.7	177.2	0	0	0	109.6
503	S	30.6	Very low	30.4	Very low	101 Å²	101	146.9 Å²	146.9	71%	0.706	79%	0.785	S	S	*	*			trans	-149.3	152.1	-169.7	54.9	0	0	0	0	113.9
504	E	33.9	Very low	31.1	Very low	176 Å²	176	150.7 Å²	150.7	82%	0.822	79%	0.791	S	S	*	*			trans	74.7	167.9	154.6	-70.7	169.8	141.8	0	0	121
505	E	32.8	Very low	31.2	Very low	165 Å²	165	152.6 Å²	152.6	77%	0.771	79%	0.793	S	S	*	*			trans	70	128.5	-175.9	-55.8	-59.1	100.4	0	0	117.9
506	E	34	Very low	32	Very low	146 Å²	146	152.6 Å²	152.6	68%	0.682	79%	0.793	S	S	*	*			cis	-163	163.6	-11.7	-152.9	-142.5	167.4	0	0	113
507	N	30	Very low	32.5	Very low	117 Å²	117	155.7 Å²	155.7	63%	0.626	80%	0.804	S	S	*	*			trans	89.7	161.9	145.8	-123	-46.3	0	0	0	123
508	K	34.3	Very low	33.1	Very low	174 Å²	174	154.1 Å²	154.1	76%	0.757	79%	0.788	S	S	*	*			trans	-104.3	152.7	-145.3	-58.2	166.2	-179.5	176.1	0	117.3
509	R	31	Very low	34	Very low	237 Å²	237	149.1 Å²	149.1	89%	0.894	77%	0.77	S	S	*	*				-162.3	160.1	116.3	-126.9	164.4	-71.5	-165.4	-2.1	114.1
510	D	34.8	Very low	34.8	Very low	157 Å²	157	146.8 Å²	146.8	84%	0.84	75%	0.752	S	S	*	*			trans	-79.7	156.8	-169.4	-43.8	-92.1	0	0	0	114.2
511	G	29.9	Very low	35.9	Very low	76 Å²	76	145.5 Å²	145.5	78%	0.784	74%	0.744	S	S	*	*			trans	166.9	91.9	172.5	0	0	0	0	0	112.4	K513	G511-K513 PolarHBondContact O-N 3.34Å
512	E	42	Very low	37	Very low	198 Å²	198	146.9 Å²	146.9	93%	0.925	74%	0.737	S	S	*	*			trans	-63.6	122.3	170.4	-67.2	178.6	124	0	0	110.2
513	K	31.1	Very low	38.5	Very low	196 Å²	196	140.9 Å²	140.9	85%	0.852	70%	0.702	S	S	*	*			trans	-156.3	122.5	152.4	-116.1	169.3	-172.6	-176.1	0	111.9	G511	G511-K513 PolarHBondContact O-N 3.34Å
514	E	42.1	Very low	39.7	Very low	184 Å²	184	137.9 Å²	137.9	86%	0.86	68%	0.678	S	S	*	*			trans	-61.2	128.7	159.8	175.5	177.7	-136.8	0	0	109.1
515	D	29.1	Very low	40.7	Very low	149 Å²	149	132.9 Å²	132.9	80%	0.797	66%	0.663	S	S	*	*			trans	-152.6	128.9	168.7	-139.5	-27.1	0	0	0	111.7
516	T	42.7	Very low	41.9	Very low	132 Å²	132	129 Å²	129	81%	0.81	65%	0.654	S	S	*	*			trans	-108.6	90.9	-170.1	38.5	0	0	0	0	112.2
517	D	36.8	Very low	43.1	Very low	136 Å²	136	122.5 Å²	122.5	73%	0.727	62%	0.623	S	S	*	*			trans	-144.9	117.5	155.3	-168.9	4.6	0	0	0	113.5	S519	D517-S519 VanDerWaalsContact OD1-CA 3.32Å; D517-S519 WeakPolarHBondContact OD1-CA 2.85Å; D517-S519 PolarHBondContact OD1-N 2.86Å; D517-S519 VanDerWaalsContact OD1-N 3.1Å
518	R	39.3	Very low	44.6	Very low	151 Å²	151	121 Å²	121	57%	0.57	61%	0.611	S	S	*	*			trans	-107.4	76.1	167.6	-165.4	178	-174.6	-172.1	2.1	108.4	D609	R518-D609 IonicContact NH1-OD2 3.96Å; R518-D609 PolarHBondContact NH1-OD2 2.78Å
519	S	45.5	Very low	45.5	Very low	45 Å²	45	118.8 Å²	118.8	32%	0.315	61%	0.607	S	S	.	*			trans	-52.9	149	-164	70.8	0	0	0	0	115.4	D517 V521 R522	D517-S519 VanDerWaalsContact OD1-CA 3.32Å; D517-S519 WeakPolarHBondContact OD1-CA 2.85Å; D517-S519 PolarHBondContact OD1-N 2.86Å; D517-S519 VanDerWaalsContact OD1-N 3.1Å; S519-V521 PolarHBondContact O-N 2.87Å; S519-V521 VanDerWaalsContact O-N 3.1Å; S519-R522 PolarHBondContact O-N 2.89Å; S519-R522 VanDerWaalsContact O-N 3.07Å
520	P	50	Low	46.6	Very low	60 Å²	60	110.7 Å²	110.7	39%	0.39	59%	0.586	S	S	.	*	H	α-helix	trans	-55.5	-32.5	-176.7	-26.7	34.3	0	0	0	114.4	R522 R523 N524	P520-R522 VanDerWaalsContact C-N 3.26Å; P520-R522 PolarHBondContact O-N 3.12Å; P520-R523 WeakPolarHBondContact O-CB 3.05Å; P520-R523 PolarHBondContact O-N 2.74Å; P520-R523 VanDerWaalsContact O-N 3.08Å; P520-N524 PolarHBondContact O-N 2.78Å
521	V	48.6	Very low	47.7	Very low	115 Å²	115	104.5 Å²	104.5	70%	0.697	55%	0.552	S	S	*	*	H	α-helix	trans	-57.5	-39.2	179.3	-175.6	0	0	0	0	111.6	S519 S525	S519-V521 PolarHBondContact O-N 2.87Å; S519-V521 VanDerWaalsContact O-N 3.1Å; V521-S525 WeakPolarHBondContact O-CB 3.26Å; V521-S525 PolarHBondContact O-N 2.98Å; V521-S525 VanDerWaalsContact O-N 3.1Å
522	R	53.2	Low	48.9	Very low	188 Å²	188	105.2 Å²	105.2	71%	0.709	54%	0.542	S	S	*	.	H	α-helix	trans	-74	-28.3	179.6	-160.2	173.3	-174.9	-178	2.1	112.3	S519 P520 S526	S519-R522 PolarHBondContact O-N 2.89Å; S519-R522 VanDerWaalsContact O-N 3.07Å; P520-R522 VanDerWaalsContact C-N 3.26Å; P520-R522 PolarHBondContact O-N 3.12Å; R522-S526 PolarHBondContact O-N 2.91Å
523	R	56.5	Low	49.8	Very low	55 Å²	55	101.9 Å²	101.9	21%	0.208	53%	0.53	C	S	.	.	H	α-helix	trans	-67.3	-53.2	172.2	-51.7	-173.8	-137.2	145.8	4.6	110.5	P520 S525 S526 F527 T606 F689 K690	P520-R523 WeakPolarHBondContact O-CB 3.05Å; P520-R523 PolarHBondContact O-N 2.74Å; P520-R523 VanDerWaalsContact O-N 3.08Å; R523-S525 PolarHBondContact O-N 3.42Å; R523-S526 PolarHBondContact O-N 3.14Å; R523-F527 PolarHBondContact O-N 3.36Å; R523-F527 VanDerWaalsContact O-N 3.12Å; R523-T606 HydrophobicContact CG-CG2 4.35Å; R523-F689 PolarHBondContact NH1-O 3.45Å; R523-K690 PolarHBondContact NH1-O 3.14Å
524	N	56.6	Low	51.4	Low	38 Å²	38	93.2 Å²	93.2	20%	0.203	50%	0.497	C	S	.	.	H	α-helix	trans	-59.3	-45.1	-178.1	-168.6	-34.5	0	0	0	111.7	P520 S526 F527 K528 F689	P520-N524 PolarHBondContact O-N 2.78Å; N524-S526 PolarHBondContact O-N 2.81Å; N524-F527 PolarHBondContact O-N 3.28Å; N524-K528 PolarHBondContact O-N 3.23Å; N524-K528 VanDerWaalsContact OD1-CD 3.23Å; N524-K528 WeakPolarHBondContact OD1-CD 3.23Å; N524-K528 WeakPolarHBondContact OD1-CE 3.27Å; N524-K528 PolarHBondContact OD1-NZ 2.78Å; N524-F689 HydrophobicContact CB-CD2 4.49Å
525	S	55	Low	53.1	Low	72 Å²	72	85.7 Å²	85.7	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-59.9	-42.5	178.2	-174.9	0	0	0	0	113.7	V521 R523	V521-S525 WeakPolarHBondContact O-CB 3.26Å; V521-S525 PolarHBondContact O-N 2.98Å; V521-S525 VanDerWaalsContact O-N 3.1Å; R523-S525 PolarHBondContact O-N 3.42Å
526	S	56.8	Low	55.8	Low	83 Å²	83	78.6 Å²	78.6	58%	0.58	43%	0.426	S	S	*	.	H	α-helix	trans	-70.8	-31.8	178	-167	0	0	0	0	112.9	R522 R523 N524	R522-S526 PolarHBondContact O-N 2.91Å; R523-S526 PolarHBondContact O-N 3.14Å; N524-S526 PolarHBondContact O-N 2.81Å
527	F	60.5	Low	57.7	Low	10 Å²	10	72.3 Å²	72.3	4%	0.044	39%	0.387	C	S	.	.	H	α-helix	trans	-71.7	-44.4	178.8	174.8	-112.2	0	0	0	112.1	R523 N524 L529 C530 L531 F628 L631 T632 F689	R523-F527 PolarHBondContact O-N 3.36Å; R523-F527 VanDerWaalsContact O-N 3.12Å; N524-F527 PolarHBondContact O-N 3.28Å; F527-L529 VanDerWaalsContact C-N 3.3Å; F527-L529 PolarHBondContact O-N 3.04Å; F527-C530 WeakPolarHBondContact O-CB 3.44Å; F527-C530 PolarHBondContact O-N 3.3Å; F527-L531 HydrophobicContact CD1-CD1 3.78Å; F527-L531 HydrophobicContact CD1-CG 4.49Å; F527-L531 HydrophobicContact CE1-CD1 3.2Å; F527-L531 HydrophobicContact CE1-CG 4.06Å; F527-L531 HydrophobicContact CE2-CD1 4.14Å; F527-L531 HydrophobicContact CE2-CD2 4.25Å; F527-L531 HydrophobicContact CE2-CG 4.12Å; F527-L531 HydrophobicContact CZ-CD1 3.42Å; F527-L531 VanDerWaalsContact CZ-CD1 3.42Å; F527-L531 HydrophobicContact CZ-CD2 4.01Å; F527-L531 HydrophobicContact CZ-CG 3.87Å; F527-L531 PolarHBondContact O-N 3.08Å; F527-F628 HydrophobicContact CD2-CZ 4.47Å; F527-F628 AromaticContact CE2-CE2 3.97Å; F527-F628 HydrophobicContact CE2-CE2 3.97Å; F527-F628 AromaticContact CE2-CZ 3.57Å; F527-F628 HydrophobicContact CE2-CZ 3.57Å; F527-F628 HydrophobicContact CZ-CE2 4.05Å; F527-F628 HydrophobicContact CZ-CZ 4.04Å; F527-L631 HydrophobicContact CE1-CD2 3.82Å; F527-L631 HydrophobicContact CZ-CD2 3.81Å; F527-L631 HydrophobicContact CZ-CG 4.49Å; F527-T632 HydrophobicContact CZ-CG2 4.38Å; F527-F689 HydrophobicContact CB-CZ 4.25Å; F527-F689 HydrophobicContact CD1-CE1 4.24Å; F527-F689 AromaticContact CD1-CE2 3.66Å; F527-F689 HydrophobicContact CD1-CE2 3.66Å; F527-F689 AromaticContact CD1-CZ 3.23Å; F527-F689 HydrophobicContact CD1-CZ 3.23Å; F527-F689 HydrophobicContact CD2-CZ 4.38Å; F527-F689 AromaticContact CE1-CE2 3.85Å; F527-F689 HydrophobicContact CE1-CE2 3.85Å; F527-F689 AromaticContact CE1-CZ 3.47Å; F527-F689 HydrophobicContact CE1-CZ 3.47Å; F527-F689 VanDerWaalsContact CE1-CZ 3.47Å; F527-F689 HydrophobicContact CG-CE1 4.32Å; F527-F689 HydrophobicContact CG-CE2 4.49Å; F527-F689 AromaticContact CG-CZ 3.7Å; F527-F689 HydrophobicContact CG-CZ 3.7Å; F527-F689 HydrophobicContact CZ-CZ 4.17Å
528	K	60.1	Low	60.1	Low	86 Å²	86	66.4 Å²	66.4	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-59.8	-38.5	-179.6	-77.5	-176.6	171.1	173.2	0	113.3	N524 C530 L531 T532 E685	N524-K528 PolarHBondContact O-N 3.23Å; N524-K528 VanDerWaalsContact OD1-CD 3.23Å; N524-K528 WeakPolarHBondContact OD1-CD 3.23Å; N524-K528 WeakPolarHBondContact OD1-CE 3.27Å; N524-K528 PolarHBondContact OD1-NZ 2.78Å; K528-C530 VanDerWaalsContact C-N 3.26Å; K528-C530 PolarHBondContact O-N 3.33Å; K528-L531 PolarHBondContact O-N 3.3Å; K528-T532 PolarHBondContact O-N 3.21Å; K528-T532 PolarHBondContact O-OG1 2.97Å; K528-E685 WeakPolarHBondContact CE-OE1 3.49Å; K528-E685 WeakPolarHBondContact CE-OE2 3.33Å; K528-E685 IonicContact NZ-OE1 3.28Å; K528-E685 PolarHBondContact NZ-OE1 3.42Å; K528-E685 IonicContact NZ-OE2 3.49Å; K528-E685 PolarHBondContact NZ-OE2 3Å
529	L	55	Low	61.8	Low	127 Å²	127	62 Å²	62	67%	0.665	35%	0.345	S	S	*	.	H	α-helix	trans	-61.4	-32.6	175	-73.5	167.6	0	0	0	113.1	F527 T532	F527-L529 VanDerWaalsContact C-N 3.3Å; F527-L529 PolarHBondContact O-N 3.04Å; L529-T532 WeakPolarHBondContact CA-OG1 3.33Å; L529-T532 PolarHBondContact O-OG1 3.13Å
530	C	53.8	Low	62.8	Low	66 Å²	66	60.9 Å²	60.9	45%	0.446	33%	0.334	S	S	.	.	H	α-helix	trans	-72.6	-41.7	176	-173.9	0	0	0	0	111.8	F527 K528 T532 D533	F527-C530 WeakPolarHBondContact O-CB 3.44Å; F527-C530 PolarHBondContact O-N 3.3Å; K528-C530 VanDerWaalsContact C-N 3.26Å; K528-C530 PolarHBondContact O-N 3.33Å; C530-T532 VanDerWaalsContact C-N 3.34Å; C530-T532 PolarHBondContact O-N 3.4Å; C530-D533 PolarHBondContact O-N 3.2Å
531	L	57.9	Low	63.5	Low	27 Å²	27	58.3 Å²	58.3	14%	0.141	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-34.6	176.6	-67.2	174.2	0	0	0	112.9	F527 K528 D533 G534 T632 S635 R639	F527-L531 HydrophobicContact CD1-CD1 3.78Å; F527-L531 HydrophobicContact CD1-CG 4.49Å; F527-L531 HydrophobicContact CE1-CD1 3.2Å; F527-L531 HydrophobicContact CE1-CG 4.06Å; F527-L531 HydrophobicContact CE2-CD1 4.14Å; F527-L531 HydrophobicContact CE2-CD2 4.25Å; F527-L531 HydrophobicContact CE2-CG 4.12Å; F527-L531 HydrophobicContact CZ-CD1 3.42Å; F527-L531 VanDerWaalsContact CZ-CD1 3.42Å; F527-L531 HydrophobicContact CZ-CD2 4.01Å; F527-L531 HydrophobicContact CZ-CG 3.87Å; F527-L531 PolarHBondContact O-N 3.08Å; K528-L531 PolarHBondContact O-N 3.3Å; L531-D533 PolarHBondContact O-N 3.05Å; L531-D533 VanDerWaalsContact O-N 3.07Å; L531-G534 PolarHBondContact O-N 3.06Å; L531-G534 VanDerWaalsContact O-N 3.13Å; L531-T632 HydrophobicContact CD2-CG2 4.45Å; L531-S635 WeakPolarHBondContact CD1-OG 3.25Å; L531-R639 PolarHBondContact O-NH1 3.06Å
532	T	54.8	Low	64.1	Low	91 Å²	91	54.9 Å²	54.9	56%	0.558	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-7.5	179.4	44.5	0	0	0	0	115	K528 L529 C530 R639	K528-T532 PolarHBondContact O-N 3.21Å; K528-T532 PolarHBondContact O-OG1 2.97Å; L529-T532 WeakPolarHBondContact CA-OG1 3.33Å; L529-T532 PolarHBondContact O-OG1 3.13Å; C530-T532 VanDerWaalsContact C-N 3.34Å; C530-T532 PolarHBondContact O-N 3.4Å; T532-R639 VanDerWaalsContact O-CZ 3.3Å; T532-R639 PolarHBondContact O-NH1 3.1Å; T532-R639 PolarHBondContact O-NH2 3.23Å; T532-R639 VanDerWaalsContact O-NH2 3.07Å
533	D	60.7	Low	64.6	Low	129 Å²	129	51 Å²	51	69%	0.69	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	16.6	173.5	-144.3	23	0	0	0	113.9	C530 L531	C530-D533 PolarHBondContact O-N 3.2Å; L531-D533 PolarHBondContact O-N 3.05Å; L531-D533 VanDerWaalsContact O-N 3.07Å
534	G	64.3	Low	64.6	Low	14 Å²	14	49 Å²	49	14%	0.144	28%	0.28	C	S	.	.	S	Bend	trans	-74.2	166.8	172	0	0	0	0	0	115.1	L531 R639	L531-G534 PolarHBondContact O-N 3.06Å; L531-G534 VanDerWaalsContact O-N 3.13Å; G534-R639 VanDerWaalsContact N-NH1 3.19Å; G534-R639 PolarHBondContact O-NH1 2.96Å
535	P	79	Confident	64.7	Low	26 Å²	26	50.7 Å²	50.7	17%	0.169	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-65.7	157.6	172.8	30.1	-36.1	0	0	0	112.1	T539	P535-T539 HydrophobicContact CB-CG2 4.22Å
536	L	84.4	Confident	64.5	Low	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-66.5	155.6	171.4	-71.8	175.4	0	0	0	112.4	Q538 T539 Y540 R639 S640 V643 Q750 L752 F757	L536-Q538 VanDerWaalsContact C-N 3.27Å; L536-Q538 PolarHBondContact O-N 3.12Å; L536-T539 WeakPolarHBondContact O-CB 3.44Å; L536-T539 PolarHBondContact O-N 3.07Å; L536-Y540 PolarHBondContact O-N 3.02Å; L536-Y540 VanDerWaalsContact O-N 3.1Å; L536-R639 HydrophobicContact CD2-CG 3.93Å; L536-S640 WeakPolarHBondContact CD2-OG 3.36Å; L536-V643 HydrophobicContact CD2-CG2 4.02Å; L536-Q750 HydrophobicContact CD1-CB 4Å; L536-Q750 HydrophobicContact CD1-CG 3.81Å; L536-Q750 HydrophobicContact CG-CG 4.09Å; L536-L752 HydrophobicContact CB-CD1 4.03Å; L536-L752 HydrophobicContact CD1-CD1 3.82Å; L536-F757 HydrophobicContact CD1-CE1 4.03Å; L536-F757 HydrophobicContact CD1-CZ 3.86Å
537	Y	83.3	Confident	64.4	Low	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-53.3	-40.9	-176	-175.6	-102.4	0	0	0	113.8	T539 Y540 S541 S633 S636 Y637 S640 L760 Q763 R764 R767	Y537-T539 VanDerWaalsContact C-N 3.29Å; Y537-T539 PolarHBondContact O-N 3.39Å; Y537-Y540 CarbonylContact O-C 3.55Å; Y537-Y540 WeakPolarHBondContact O-CB 3.36Å; Y537-Y540 PolarHBondContact O-N 3.09Å; Y537-Y540 VanDerWaalsContact O-N 3.15Å; Y537-S541 WeakPolarHBondContact O-CB 3.17Å; Y537-S541 PolarHBondContact O-N 3.31Å; Y537-S541 PolarHBondContact O-OG 2.88Å; Y537-S633 WeakPolarHBondContact CD2-O 3.36Å; Y537-S636 WeakPolarHBondContact CB-O 3.43Å; Y537-Y637 HydrophobicContact CD1-CD2 4.04Å; Y537-Y637 HydrophobicContact CD2-CD2 4.23Å; Y537-Y637 HydrophobicContact CD2-CG 4.38Å; Y537-Y637 HydrophobicContact CE1-CD2 4.18Å; Y537-Y637 HydrophobicContact CE2-CD2 4.37Å; Y537-Y637 HydrophobicContact CG-CD2 4.05Å; Y537-S640 WeakPolarHBondContact CB-OG 3.42Å; Y537-S640 PolarHBondContact N-OG 3.18Å; Y537-L760 HydrophobicContact CD1-CD2 3.57Å; Y537-L760 HydrophobicContact CE1-CD2 4.44Å; Y537-L760 HydrophobicContact CG-CD2 4.22Å; Y537-Q763 HydrophobicContact CE1-CB 4.42Å; Y537-R764 VanDerWaalsContact OH-CD 3.31Å; Y537-R764 WeakPolarHBondContact OH-CD 3.43Å; Y537-R767 WeakPolarHBondContact OH-CB 3.2Å
538	Q	86.7	Confident	63.9	Low	11 Å²	11	51.8 Å²	51.8	5%	0.051	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-38.2	-178.4	-60.9	92.3	-37.1	0	0	111.4	L536 S541 D542 S640 L752 S756 F757 L760	L536-Q538 VanDerWaalsContact C-N 3.27Å; L536-Q538 PolarHBondContact O-N 3.12Å; Q538-S541 WeakPolarHBondContact CA-OG 3.48Å; Q538-S541 PolarHBondContact O-N 3.08Å; Q538-S541 PolarHBondContact O-OG 2.89Å; Q538-D542 WeakPolarHBondContact O-CB 3.35Å; Q538-D542 PolarHBondContact O-N 3.19Å; Q538-S640 PolarHBondContact OE1-OG 3.11Å; Q538-L752 HydrophobicContact CB-CD1 3.82Å; Q538-L752 HydrophobicContact CB-CD2 4.33Å; Q538-L752 HydrophobicContact CG-CD1 4.22Å; Q538-S756 PolarHBondContact NE2-O 3.4Å; Q538-F757 VanDerWaalsContact NE2-CD1 3.33Å; Q538-L760 HydrophobicContact CG-CD2 4.04Å
539	T	74.9	Confident	63.3	Low	58 Å²	58	51.9 Å²	51.9	36%	0.356	28%	0.279	S	S	.	.	H	α-helix	trans	-69.3	-40.4	174.5	-50.4	0	0	0	0	111.3	P535 L536 Y537 F543	P535-T539 HydrophobicContact CB-CG2 4.22Å; L536-T539 WeakPolarHBondContact O-CB 3.44Å; L536-T539 PolarHBondContact O-N 3.07Å; Y537-T539 VanDerWaalsContact C-N 3.29Å; Y537-T539 PolarHBondContact O-N 3.39Å; T539-F543 WeakPolarHBondContact O-CB 3.48Å; T539-F543 PolarHBondContact O-N 3.26Å
540	Y	66.9	Low	62.9	Low	22 Å²	22	50.7 Å²	50.7	9%	0.086	27%	0.269	C	S	.	.	H	α-helix	trans	-63.3	-43	174	177.5	-80.6	0	0	0	111.9	L536 Y537 A544 T598 E629	L536-Y540 PolarHBondContact O-N 3.02Å; L536-Y540 VanDerWaalsContact O-N 3.1Å; Y537-Y540 CarbonylContact O-C 3.55Å; Y537-Y540 WeakPolarHBondContact O-CB 3.36Å; Y537-Y540 PolarHBondContact O-N 3.09Å; Y537-Y540 VanDerWaalsContact O-N 3.15Å; Y540-A544 WeakPolarHBondContact O-CB 3.46Å; Y540-A544 PolarHBondContact O-N 2.7Å; Y540-T598 HydrophobicContact CD2-CG2 3.98Å; Y540-T598 HydrophobicContact CE2-CG2 3.93Å; Y540-E629 VanDerWaalsContact OH-CG 3.26Å; Y540-E629 WeakPolarHBondContact OH-CG 3.35Å
541	S	65.4	Low	62.6	Low	7 Å²	7	50.5 Å²	50.5	5%	0.049	26%	0.259	C	S	.	.	H	α-helix	trans	-70.8	-44.1	179.4	61.4	0	0	0	0	111.6	Y537 Q538 F543 A544 I545	Y537-S541 WeakPolarHBondContact O-CB 3.17Å; Y537-S541 PolarHBondContact O-N 3.31Å; Y537-S541 PolarHBondContact O-OG 2.88Å; Q538-S541 WeakPolarHBondContact CA-OG 3.48Å; Q538-S541 PolarHBondContact O-N 3.08Å; Q538-S541 PolarHBondContact O-OG 2.89Å; S541-F543 VanDerWaalsContact C-N 3.33Å; S541-F543 PolarHBondContact O-N 3.16Å; S541-A544 PolarHBondContact O-N 3.04Å; S541-I545 VanDerWaalsContact O-CB 3.29Å; S541-I545 WeakPolarHBondContact O-CB 3.49Å; S541-I545 WeakPolarHBondContact O-CD1 3.5Å; S541-I545 WeakPolarHBondContact O-CG1 3.47Å; S541-I545 PolarHBondContact O-N 2.92Å
542	D	61.3	Low	61.6	Low	42 Å²	42	55.6 Å²	55.6	23%	0.225	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-41.4	176	-94.7	25.9	0	0	0	111	R171 Q538 I545 Q546	R171-D542 IonicContact CZ-OD2 3.83Å; R171-D542 IonicContact NH2-OD2 2.72Å; R171-D542 PolarHBondContact NH2-OD2 3.07Å; Q538-D542 WeakPolarHBondContact O-CB 3.35Å; Q538-D542 PolarHBondContact O-N 3.19Å; D542-I545 PolarHBondContact O-N 2.91Å; D542-Q546 WeakPolarHBondContact O-CB 3.48Å; D542-Q546 WeakPolarHBondContact O-CG 3.4Å; D542-Q546 PolarHBondContact O-N 3.25Å
543	F	63.1	Low	60.9	Low	106 Å²	106	55.8 Å²	55.8	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-47.2	173.3	177.5	-106.9	0	0	0	111.9	T539 S541 Q546 K547	T539-F543 WeakPolarHBondContact O-CB 3.48Å; T539-F543 PolarHBondContact O-N 3.26Å; S541-F543 VanDerWaalsContact C-N 3.33Å; S541-F543 PolarHBondContact O-N 3.16Å; F543-Q546 PolarHBondContact O-N 3.16Å; F543-K547 HydrophobicContact CE1-CD 4.33Å; F543-K547 VanDerWaalsContact O-CB 3.29Å; F543-K547 WeakPolarHBondContact O-CB 3.45Å; F543-K547 PolarHBondContact O-N 2.98Å
544	A	56.8	Low	60	Low	15 Å²	15	52 Å²	52	12%	0.124	27%	0.265	C	S	.	.	H	α-helix	trans	-67.3	-36.2	179.7	0	0	0	0	0	113.2	Y540 S541 K547 E548 R767	Y540-A544 WeakPolarHBondContact O-CB 3.46Å; Y540-A544 PolarHBondContact O-N 2.7Å; S541-A544 PolarHBondContact O-N 3.04Å; A544-K547 PolarHBondContact O-N 3Å; A544-E548 WeakPolarHBondContact O-CB 3.26Å; A544-E548 PolarHBondContact O-N 2.77Å; A544-R767 VanDerWaalsContact CB-NH2 3.26Å
545	I	57.3	Low	58.8	Low	73 Å²	73	59.1 Å²	59.1	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-66.5	-47.4	174.9	-71.5	163.4	0	0	0	109.9	S541 D542 K547 E548 I549	S541-I545 VanDerWaalsContact O-CB 3.29Å; S541-I545 WeakPolarHBondContact O-CB 3.49Å; S541-I545 WeakPolarHBondContact O-CD1 3.5Å; S541-I545 WeakPolarHBondContact O-CG1 3.47Å; S541-I545 PolarHBondContact O-N 2.92Å; D542-I545 PolarHBondContact O-N 2.91Å; I545-K547 VanDerWaalsContact C-N 3.29Å; I545-K547 PolarHBondContact O-N 3Å; I545-E548 PolarHBondContact O-N 3.04Å; I545-I549 HydrophobicContact CG2-CD1 3.69Å; I545-I549 HydrophobicContact CG2-CG1 4.38Å; I545-I549 VanDerWaalsContact O-CG1 3.31Å; I545-I549 WeakPolarHBondContact O-CG1 3.21Å; I545-I549 PolarHBondContact O-N 3.39Å
546	Q	51.8	Low	56.7	Low	103 Å²	103	67.2 Å²	67.2	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-59.3	-40.1	174.6	-73.3	171.2	17.1	0	0	112	D542 F543 I549 H550	D542-Q546 WeakPolarHBondContact O-CB 3.48Å; D542-Q546 WeakPolarHBondContact O-CG 3.4Å; D542-Q546 PolarHBondContact O-N 3.25Å; F543-Q546 PolarHBondContact O-N 3.16Å; Q546-I549 PolarHBondContact O-N 3.32Å; Q546-H550 VanDerWaalsContact O-CB 3.28Å; Q546-H550 WeakPolarHBondContact O-CB 3.27Å; Q546-H550 PolarHBondContact O-N 2.63Å
547	K	53.8	Low	54.4	Low	59 Å²	59	73.5 Å²	73.5	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-66.4	-35.1	177.5	-158.2	-173.5	-164.8	-153.8	0	112.7	F543 A544 I545 R551 S562	F543-K547 HydrophobicContact CE1-CD 4.33Å; F543-K547 VanDerWaalsContact O-CB 3.29Å; F543-K547 WeakPolarHBondContact O-CB 3.45Å; F543-K547 PolarHBondContact O-N 2.98Å; A544-K547 PolarHBondContact O-N 3Å; I545-K547 VanDerWaalsContact C-N 3.29Å; I545-K547 PolarHBondContact O-N 3Å; K547-R551 PolarHBondContact O-N 2.75Å; K547-R551 VanDerWaalsContact O-N 3.11Å; K547-S562 WeakPolarHBondContact CE-O 3.46Å; K547-S562 PolarHBondContact NZ-O 3.31Å
548	E	51.6	Low	52.4	Low	25 Å²	25	81.7 Å²	81.7	12%	0.117	40%	0.401	C	S	.	.	H	α-helix	trans	-75.1	-43.1	175.1	178.6	58.6	-164.6	0	0	112	A544 I545 H550 R551 Q552 M770	A544-E548 WeakPolarHBondContact O-CB 3.26Å; A544-E548 PolarHBondContact O-N 2.77Å; I545-E548 PolarHBondContact O-N 3.04Å; E548-H550 VanDerWaalsContact C-N 3.3Å; E548-H550 PolarHBondContact O-N 2.75Å; E548-R551 WeakPolarHBondContact O-CB 3.37Å; E548-R551 PolarHBondContact O-N 3.28Å; E548-R551 IonicContact OE1-CZ 3.85Å; E548-R551 IonicContact OE1-NH1 2.75Å; E548-R551 PolarHBondContact OE1-NH1 3.48Å; E548-R551 IonicContact OE2-CZ 3.25Å; E548-R551 IonicContact OE2-NH1 3.12Å; E548-R551 PolarHBondContact OE2-NH1 3.28Å; E548-Q552 WeakPolarHBondContact O-CG 3.33Å; E548-Q552 PolarHBondContact O-N 2.85Å; E548-Q552 PolarHBondContact OE1-NE2 3.12Å; E548-M770 HydrophobicContact CG-CE 4.32Å
549	I	47.3	Very low	50.2	Low	88 Å²	88	86 Å²	86	45%	0.451	43%	0.432	S	S	.	.	H	α-helix	trans	-59.3	-42.7	172.3	-68.3	167.4	0	0	0	110.2	I545 Q546 R551 Q552 T553	I545-I549 HydrophobicContact CG2-CD1 3.69Å; I545-I549 HydrophobicContact CG2-CG1 4.38Å; I545-I549 VanDerWaalsContact O-CG1 3.31Å; I545-I549 WeakPolarHBondContact O-CG1 3.21Å; I545-I549 PolarHBondContact O-N 3.39Å; Q546-I549 PolarHBondContact O-N 3.32Å; I549-R551 PolarHBondContact O-N 3.41Å; I549-Q552 PolarHBondContact O-N 3.47Å; I549-Q552 VanDerWaalsContact O-N 3.14Å; I549-T553 HydrophobicContact CG2-CG2 4.32Å; I549-T553 WeakPolarHBondContact O-CB 3.2Å; I549-T553 WeakPolarHBondContact O-CG2 3.5Å; I549-T553 PolarHBondContact O-N 2.93Å; I549-T553 PolarHBondContact O-OG1 3.03Å
550	H	45.3	Very low	48.6	Very low	102 Å²	102	87.1 Å²	87.1	47%	0.472	43%	0.432	S	S	.	.	H	α-helix	trans	-63.8	-39.7	176.6	-171	55.6	0	0	0	112.2	Q546 E548 Q552 T553 V554	Q546-H550 VanDerWaalsContact O-CB 3.28Å; Q546-H550 WeakPolarHBondContact O-CB 3.27Å; Q546-H550 PolarHBondContact O-N 2.63Å; E548-H550 VanDerWaalsContact C-N 3.3Å; E548-H550 PolarHBondContact O-N 2.75Å; H550-Q552 VanDerWaalsContact C-N 3.31Å; H550-Q552 PolarHBondContact O-N 3.2Å; H550-T553 WeakPolarHBondContact CA-OG1 3.42Å; H550-T553 PolarHBondContact O-N 2.77Å; H550-T553 PolarHBondContact O-OG1 2.72Å; H550-V554 VanDerWaalsContact CE1-CG2 3.47Å; H550-V554 WeakPolarHBondContact CE1-CG2 3.23Å; H550-V554 WeakPolarHBondContact O-CG2 3.17Å; H550-V554 PolarHBondContact O-N 2.84Å
551	R	47.1	Very low	47.7	Very low	62 Å²	62	87.3 Å²	87.3	23%	0.234	44%	0.436	C	S	.	.	H	α-helix	trans	-60.1	-39	171.3	160.3	174.7	168.3	-97.7	-26.1	112.4	K547 E548 I549 K560	K547-R551 PolarHBondContact O-N 2.75Å; K547-R551 VanDerWaalsContact O-N 3.11Å; E548-R551 WeakPolarHBondContact O-CB 3.37Å; E548-R551 PolarHBondContact O-N 3.28Å; E548-R551 IonicContact OE1-CZ 3.85Å; E548-R551 IonicContact OE1-NH1 2.75Å; E548-R551 PolarHBondContact OE1-NH1 3.48Å; E548-R551 IonicContact OE2-CZ 3.25Å; E548-R551 IonicContact OE2-NH1 3.12Å; E548-R551 PolarHBondContact OE2-NH1 3.28Å; I549-R551 PolarHBondContact O-N 3.41Å; R551-K560 WeakPolarHBondContact CD-O 3.31Å; R551-K560 PolarHBondContact NE-O 2.88Å
552	Q	37.7	Very low	46.7	Very low	134 Å²	134	87.7 Å²	87.7	63%	0.626	44%	0.439	S	S	*	.	H	α-helix	trans	-78.5	-21.7	-178.8	-67.9	177.9	15.1	0	0	113.7	E548 I549 H550	E548-Q552 WeakPolarHBondContact O-CG 3.33Å; E548-Q552 PolarHBondContact O-N 2.85Å; E548-Q552 PolarHBondContact OE1-NE2 3.12Å; I549-Q552 PolarHBondContact O-N 3.47Å; I549-Q552 VanDerWaalsContact O-N 3.14Å; H550-Q552 VanDerWaalsContact C-N 3.31Å; H550-Q552 PolarHBondContact O-N 3.2Å
553	T	39.7	Very low	46.1	Very low	96 Å²	96	86.3 Å²	86.3	59%	0.589	43%	0.431	S	S	*	.	H	α-helix	trans	-101.8	-6	-175.5	49.4	0	0	0	0	114.8	I549 H550	I549-T553 HydrophobicContact CG2-CG2 4.32Å; I549-T553 WeakPolarHBondContact O-CB 3.2Å; I549-T553 WeakPolarHBondContact O-CG2 3.5Å; I549-T553 PolarHBondContact O-N 2.93Å; I549-T553 PolarHBondContact O-OG1 3.03Å; H550-T553 WeakPolarHBondContact CA-OG1 3.42Å; H550-T553 PolarHBondContact O-N 2.77Å; H550-T553 PolarHBondContact O-OG1 2.72Å
554	V	41.4	Very low	45.4	Very low	49 Å²	49	82.6 Å²	82.6	30%	0.297	42%	0.416	S	S	.	.	S	Bend	trans	-98.2	108.1	174.2	175.5	0	0	0	0	110.5	H550 R556	H550-V554 VanDerWaalsContact CE1-CG2 3.47Å; H550-V554 WeakPolarHBondContact CE1-CG2 3.23Å; H550-V554 WeakPolarHBondContact O-CG2 3.17Å; H550-V554 PolarHBondContact O-N 2.84Å; V554-R556 VanDerWaalsContact C-N 3.3Å; V554-R556 PolarHBondContact O-N 3.28Å
555	I	40.4	Very low	44.9	Very low	163 Å²	163	85 Å²	85	84%	0.836	42%	0.422	S	S	*	.			trans	-74	78.2	178.4	-49.3	179.5	0	0	0	110.7
556	R	34.7	Very low	44.5	Very low	196 Å²	196	82.6 Å²	82.6	74%	0.74	41%	0.413	S	S	*	.	S	Bend	trans	-149.9	110.2	160	-76.4	-161.3	171.5	81.2	4	110.8	V554	V554-R556 VanDerWaalsContact C-N 3.3Å; V554-R556 PolarHBondContact O-N 3.28Å
557	N	35.6	Very low	44.2	Very low	132 Å²	132	79.6 Å²	79.6	71%	0.706	40%	0.4	S	S	*	.			trans	48.1	103.5	172.2	-64.7	8.1	0	0	0	116.1	S559 K560	N557-S559 PolarHBondContact O-N 3.19Å; N557-K560 PolarHBondContact O-N 2.99Å; N557-K560 VanDerWaalsContact O-N 3.13Å
558	I	41.3	Very low	43.6	Very low	172 Å²	172	79.6 Å²	79.6	88%	0.882	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-18.7	-176.7	-62.4	167.1	0	0	0	113.9
559	S	41.6	Very low	43	Very low	101 Å²	101	84.7 Å²	84.7	71%	0.706	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-16.7	178.6	50.7	0	0	0	0	115.7	N557	N557-S559 PolarHBondContact O-N 3.19Å
560	K	40.4	Very low	42.9	Very low	82 Å²	82	82.3 Å²	82.3	36%	0.357	42%	0.416	S	S	.	.			trans	-76.7	127.5	176.3	-81.6	-169.2	173.7	-178.6	0	111.9	R551 N557 D564 Y565 E568	R551-K560 WeakPolarHBondContact CD-O 3.31Å; R551-K560 PolarHBondContact NE-O 2.88Å; N557-K560 PolarHBondContact O-N 2.99Å; N557-K560 VanDerWaalsContact O-N 3.13Å; K560-D564 HydrophobicContact CB-CB 4.38Å; K560-D564 HydrophobicContact CD-CB 4.41Å; K560-D564 HydrophobicContact CG-CB 4.15Å; K560-Y565 HydrophobicContact CB-CE2 4.32Å; K560-E568 IonicContact NZ-OE2 3.53Å; K560-E568 PolarHBondContact NZ-OE2 2.9Å
561	T	47.3	Very low	42.7	Very low	26 Å²	26	80.2 Å²	80.2	16%	0.16	42%	0.416	C	S	.	.			trans	-91.7	169.9	174.5	75.8	0	0	0	0	111.4	M563 D564 R778	T561-M563 PolarHBondContact O-N 3.39Å; T561-M563 WeakPolarHBondContact OG1-CB 3.3Å; T561-M563 PolarHBondContact OG1-N 3.33Å; T561-D564 WeakPolarHBondContact CA-OD2 3.46Å; T561-D564 WeakPolarHBondContact CB-OD2 3.45Å; T561-D564 PolarHBondContact N-OD2 3.35Å; T561-D564 PolarHBondContact O-N 3.41Å; T561-D564 PolarHBondContact OG1-OD2 3.32Å; T561-R778 PolarHBondContact OG1-NH2 3.17Å
562	S	44.4	Very low	42.3	Very low	16 Å²	16	83.6 Å²	83.6	11%	0.112	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.8	177.2	61.7	0	0	0	0	113.3	K547	K547-S562 WeakPolarHBondContact CE-O 3.46Å; K547-S562 PolarHBondContact NZ-O 3.31Å
563	M	50	Low	42.3	Very low	12 Å²	12	83.1 Å²	83.1	6%	0.059	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-39.5	177.8	-150.7	111.7	70.2	0	0	112.7	T561 Y565 A566 M567 K622 E625 S626	T561-M563 PolarHBondContact O-N 3.39Å; T561-M563 WeakPolarHBondContact OG1-CB 3.3Å; T561-M563 PolarHBondContact OG1-N 3.33Å; M563-Y565 PolarHBondContact O-N 2.97Å; M563-A566 WeakPolarHBondContact O-CA 3.38Å; M563-A566 WeakPolarHBondContact O-CB 3.2Å; M563-A566 PolarHBondContact O-N 3.04Å; M563-M567 PolarHBondContact O-N 3.03Å; M563-M567 VanDerWaalsContact O-N 3.11Å; M563-K622 HydrophobicContact CE-CB 3.91Å; M563-K622 HydrophobicContact CE-CG 4.34Å; M563-K622 WeakPolarHBondContact CE-O 3.46Å; M563-K622 HydrophobicContact CG-CG 4.44Å; M563-E625 HydrophobicContact CE-CB 3.75Å; M563-E625 VanDerWaalsContact CG-OE2 3.25Å; M563-E625 WeakPolarHBondContact CG-OE2 3.42Å; M563-E625 HydrophobicContact SD-CB 3.5Å; M563-E625 WeakPolarHBondContact SD-CB 3.41Å; M563-E625 HydrophobicContact SD-CG 4.37Å; M563-S626 WeakPolarHBondContact CE-OG 3.49Å
564	D	47.3	Very low	42.3	Very low	28 Å²	28	87.8 Å²	87.8	15%	0.15	43%	0.432	C	S	.	.	H	α-helix	trans	-61.1	-37	-176	-57.8	-90.4	0	0	0	111.1	K560 T561 A566 M567 E568 K622	K560-D564 HydrophobicContact CB-CB 4.38Å; K560-D564 HydrophobicContact CD-CB 4.41Å; K560-D564 HydrophobicContact CG-CB 4.15Å; T561-D564 WeakPolarHBondContact CA-OD2 3.46Å; T561-D564 WeakPolarHBondContact CB-OD2 3.45Å; T561-D564 PolarHBondContact N-OD2 3.35Å; T561-D564 PolarHBondContact O-N 3.41Å; T561-D564 PolarHBondContact OG1-OD2 3.32Å; D564-A566 VanDerWaalsContact C-N 3.32Å; D564-A566 PolarHBondContact O-N 2.94Å; D564-M567 PolarHBondContact O-N 2.68Å; D564-E568 WeakPolarHBondContact O-CB 3.39Å; D564-E568 PolarHBondContact O-N 3.17Å; D564-K622 WeakPolarHBondContact OD1-CE 3.5Å; D564-K622 IonicContact OD1-NZ 2.77Å; D564-K622 PolarHBondContact OD1-NZ 3.38Å
565	Y	47.7	Very low	41.9	Very low	66 Å²	66	92.3 Å²	92.3	26%	0.259	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-33.2	171.5	-75.2	-85	0	0	0	113.8	K560 M563 F569	K560-Y565 HydrophobicContact CB-CE2 4.32Å; M563-Y565 PolarHBondContact O-N 2.97Å; Y565-F569 WeakPolarHBondContact O-CB 3.37Å; Y565-F569 PolarHBondContact O-N 2.57Å
566	A	48.3	Very low	41.9	Very low	23 Å²	23	92.6 Å²	92.6	19%	0.19	45%	0.445	C	S	.	.	H	α-helix	trans	-75.3	-38.7	177.7	0	0	0	0	0	111.6	M563 D564 F569 A570	M563-A566 WeakPolarHBondContact O-CA 3.38Å; M563-A566 WeakPolarHBondContact O-CB 3.2Å; M563-A566 PolarHBondContact O-N 3.04Å; D564-A566 VanDerWaalsContact C-N 3.32Å; D564-A566 PolarHBondContact O-N 2.94Å; A566-F569 PolarHBondContact O-N 2.87Å; A566-A570 WeakPolarHBondContact O-CB 3.47Å; A566-A570 PolarHBondContact O-N 3.38Å
567	M	46	Very low	42	Very low	40 Å²	40	88.8 Å²	88.8	20%	0.197	44%	0.444	C	S	.	.	H	α-helix	trans	-67.8	-40	172.6	-70.6	-154.1	-104.2	0	0	112	M563 D564 F569 A570 A571 Q602 V618 K622	M563-M567 PolarHBondContact O-N 3.03Å; M563-M567 VanDerWaalsContact O-N 3.11Å; D564-M567 PolarHBondContact O-N 2.68Å; M567-F569 VanDerWaalsContact C-N 3.31Å; M567-F569 PolarHBondContact O-N 2.84Å; M567-A570 PolarHBondContact O-N 3.26Å; M567-A571 VanDerWaalsContact O-CB 3.32Å; M567-A571 WeakPolarHBondContact O-CB 3.42Å; M567-A571 PolarHBondContact O-N 3.38Å; M567-Q602 PolarHBondContact SD-NE2 3.43Å; M567-Q602 VanDerWaalsContact SD-NE2 3.42Å; M567-V618 HydrophobicContact CE-CG1 4.38Å; M567-K622 HydrophobicContact CE-CD 4.34Å; M567-K622 HydrophobicContact CE-CG 3.55Å
568	E	41.4	Very low	41.9	Very low	59 Å²	59	87.6 Å²	87.6	28%	0.276	45%	0.446	S	S	.	.	H	α-helix	trans	-63.2	-36.5	175	-160.8	-177.1	122.6	0	0	112	K560 D564 R572	K560-E568 IonicContact NZ-OE2 3.53Å; K560-E568 PolarHBondContact NZ-OE2 2.9Å; D564-E568 WeakPolarHBondContact O-CB 3.39Å; D564-E568 PolarHBondContact O-N 3.17Å; E568-R572 WeakPolarHBondContact O-CG 3.3Å; E568-R572 PolarHBondContact O-N 2.81Å; E568-R572 IonicContact OE1-CZ 3.63Å; E568-R572 IonicContact OE1-NH1 2.75Å; E568-R572 PolarHBondContact OE1-NH1 2.98Å; E568-R572 IonicContact OE1-NH2 3.93Å; E568-R572 PolarHBondContact OE1-NH2 2.8Å
569	F	39.3	Very low	41.5	Very low	132 Å²	132	82.3 Å²	82.3	58%	0.579	43%	0.434	S	S	*	.	H	α-helix	trans	-69.6	-44.6	173.2	-171.2	-91.7	0	0	0	112.3	Y565 A566 M567 A571 R572 F573	Y565-F569 WeakPolarHBondContact O-CB 3.37Å; Y565-F569 PolarHBondContact O-N 2.57Å; A566-F569 PolarHBondContact O-N 2.87Å; M567-F569 VanDerWaalsContact C-N 3.31Å; M567-F569 PolarHBondContact O-N 2.84Å; F569-A571 PolarHBondContact O-N 3.4Å; F569-R572 PolarHBondContact O-N 3.32Å; F569-F573 HydrophobicContact CD1-CD2 4.06Å; F569-F573 HydrophobicContact CD1-CE2 4.25Å; F569-F573 AromaticContact CE1-CD2 3.76Å; F569-F573 HydrophobicContact CE1-CD2 3.76Å; F569-F573 AromaticContact CE1-CE2 3.53Å; F569-F573 HydrophobicContact CE1-CE2 3.53Å; F569-F573 HydrophobicContact CE1-CZ 4.45Å; F569-F573 HydrophobicContact CE2-CE2 4.11Å; F569-F573 HydrophobicContact CZ-CD2 4.11Å; F569-F573 AromaticContact CZ-CE2 3.46Å; F569-F573 HydrophobicContact CZ-CE2 3.46Å; F569-F573 VanDerWaalsContact CZ-CE2 3.46Å; F569-F573 HydrophobicContact CZ-CZ 4.32Å; F569-F573 PolarHBondContact O-N 2.89Å; F569-F573 VanDerWaalsContact O-N 3.15Å
570	A	43.9	Very low	41.1	Very low	38 Å²	38	87.6 Å²	87.6	31%	0.314	44%	0.444	S	S	.	.	H	α-helix	trans	-64.2	-38.4	177.3	0	0	0	0	0	112.4	A566 M567 F573 R574	A566-A570 WeakPolarHBondContact O-CB 3.47Å; A566-A570 PolarHBondContact O-N 3.38Å; M567-A570 PolarHBondContact O-N 3.26Å; A570-F573 PolarHBondContact O-N 3.39Å; A570-R574 PolarHBondContact O-N 3.4Å
571	A	41.7	Very low	41	Very low	57 Å²	57	88.9 Å²	88.9	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-60.9	-49.3	173.8	0	0	0	0	0	111.5	M567 F569 F573 R574 E575	M567-A571 VanDerWaalsContact O-CB 3.32Å; M567-A571 WeakPolarHBondContact O-CB 3.42Å; M567-A571 PolarHBondContact O-N 3.38Å; F569-A571 PolarHBondContact O-N 3.4Å; A571-F573 PolarHBondContact O-N 3.18Å; A571-R574 PolarHBondContact O-N 3.2Å; A571-R574 VanDerWaalsContact O-N 3.09Å; A571-E575 WeakPolarHBondContact O-CB 3.35Å; A571-E575 PolarHBondContact O-N 3.47Å
572	R	39.4	Very low	40.1	Very low	133 Å²	133	95.3 Å²	95.3	50%	0.502	50%	0.497	S	S	.	.	H	α-helix	trans	-60	-24.4	175.3	-75.6	-179.7	179.3	120.2	10	113.9	E568 F569 K576	E568-R572 WeakPolarHBondContact O-CG 3.3Å; E568-R572 PolarHBondContact O-N 2.81Å; E568-R572 IonicContact OE1-CZ 3.63Å; E568-R572 IonicContact OE1-NH1 2.75Å; E568-R572 PolarHBondContact OE1-NH1 2.98Å; E568-R572 IonicContact OE1-NH2 3.93Å; E568-R572 PolarHBondContact OE1-NH2 2.8Å; F569-R572 PolarHBondContact O-N 3.32Å; R572-K576 WeakPolarHBondContact O-CG 3.33Å
573	F	36.2	Very low	39.6	Very low	124 Å²	124	102.2 Å²	102.2	54%	0.544	53%	0.527	S	S	.	.	H	α-helix	trans	-80.7	-43.6	171.4	-95.4	-93.6	0	0	0	112.6	F569 A570 A571 E575 K576 T577	F569-F573 HydrophobicContact CD1-CD2 4.06Å; F569-F573 HydrophobicContact CD1-CE2 4.25Å; F569-F573 AromaticContact CE1-CD2 3.76Å; F569-F573 HydrophobicContact CE1-CD2 3.76Å; F569-F573 AromaticContact CE1-CE2 3.53Å; F569-F573 HydrophobicContact CE1-CE2 3.53Å; F569-F573 HydrophobicContact CE1-CZ 4.45Å; F569-F573 HydrophobicContact CE2-CE2 4.11Å; F569-F573 HydrophobicContact CZ-CD2 4.11Å; F569-F573 AromaticContact CZ-CE2 3.46Å; F569-F573 HydrophobicContact CZ-CE2 3.46Å; F569-F573 VanDerWaalsContact CZ-CE2 3.46Å; F569-F573 HydrophobicContact CZ-CZ 4.32Å; F569-F573 PolarHBondContact O-N 2.89Å; F569-F573 VanDerWaalsContact O-N 3.15Å; A570-F573 PolarHBondContact O-N 3.39Å; A571-F573 PolarHBondContact O-N 3.18Å; F573-E575 VanDerWaalsContact C-N 3.29Å; F573-E575 PolarHBondContact O-N 3.06Å; F573-K576 PolarHBondContact O-N 3.48Å; F573-T577 PolarHBondContact O-N 2.88Å; F573-T577 VanDerWaalsContact O-N 3.16Å; F573-T577 PolarHBondContact O-OG1 3.24Å
574	R	39.6	Very low	39.1	Very low	195 Å²	195	107.8 Å²	107.8	74%	0.736	56%	0.557	S	S	*	*	H	α-helix	trans	-58.4	-42.1	175.3	-172.3	-173.9	-77.6	-156.9	1.4	111.4	A570 A571 T577	A570-R574 PolarHBondContact O-N 3.4Å; A571-R574 PolarHBondContact O-N 3.2Å; A571-R574 VanDerWaalsContact O-N 3.09Å; R574-T577 WeakPolarHBondContact CA-OG1 3.38Å; R574-T577 PolarHBondContact O-N 2.94Å; R574-T577 PolarHBondContact O-OG1 3.34Å
575	E	33.7	Very low	38	Very low	144 Å²	144	115.6 Å²	115.6	67%	0.673	59%	0.59	S	S	*	*	H	α-helix	trans	-60.9	-45.7	177	-171.9	173.5	-132.4	0	0	112	A571 F573 T577 S578	A571-E575 WeakPolarHBondContact O-CB 3.35Å; A571-E575 PolarHBondContact O-N 3.47Å; F573-E575 VanDerWaalsContact C-N 3.29Å; F573-E575 PolarHBondContact O-N 3.06Å; E575-T577 VanDerWaalsContact C-N 3.28Å; E575-T577 PolarHBondContact O-N 3.06Å; E575-S578 PolarHBondContact O-N 2.96Å; E575-S578 VanDerWaalsContact O-N 3.12Å
576	K	40.3	Very low	37.5	Very low	168 Å²	168	118.8 Å²	118.8	73%	0.73	62%	0.616	S	S	*	*	H	α-helix	trans	-66.8	-24.3	177.4	-75.4	178.8	179	-177.8	0	114.1	R572 F573 S578	R572-K576 WeakPolarHBondContact O-CG 3.33Å; F573-K576 PolarHBondContact O-N 3.48Å; K576-S578 VanDerWaalsContact C-N 3.28Å; K576-S578 PolarHBondContact O-N 3.47Å
577	T	36.4	Very low	36.5	Very low	117 Å²	117	121.6 Å²	121.6	72%	0.718	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-3.1	173.7	47.2	0	0	0	0	114.6	F573 R574 E575	F573-T577 PolarHBondContact O-N 2.88Å; F573-T577 VanDerWaalsContact O-N 3.16Å; F573-T577 PolarHBondContact O-OG1 3.24Å; R574-T577 WeakPolarHBondContact CA-OG1 3.38Å; R574-T577 PolarHBondContact O-N 2.94Å; R574-T577 PolarHBondContact O-OG1 3.34Å; E575-T577 VanDerWaalsContact C-N 3.28Å; E575-T577 PolarHBondContact O-N 3.06Å
578	S	34.1	Very low	35.8	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	4.8	176.9	-166.8	0	0	0	0	114.1	E575 K576	E575-S578 PolarHBondContact O-N 2.96Å; E575-S578 VanDerWaalsContact O-N 3.12Å; K576-S578 VanDerWaalsContact C-N 3.28Å; K576-S578 PolarHBondContact O-N 3.47Å
579	G	32.3	Very low	35	Very low	61 Å²	61	131.8 Å²	131.8	63%	0.629	69%	0.692	S	S	*	*	S	Bend	trans	-79.4	144.7	178.9	0	0	0	0	0	113.5
580	K	34.4	Very low	34.4	Very low	211 Å²	211	130.6 Å²	130.6	92%	0.917	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-66.5	153.2	-176.7	-67.5	176.3	-178.9	174.2	0	113.2
581	S	37.7	Very low	33.8	Very low	110 Å²	110	134.4 Å²	134.4	77%	0.769	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-53.6	137	179.5	53.2	0	0	0	0	115.7
582	N	28.7	Very low	33.1	Very low	160 Å²	160	137.6 Å²	137.6	86%	0.856	74%	0.735	S	S	*	*				-159.8	173.4	125.7	-113.2	-3	0	0	0	112.1
583	E	34	Very low	32.7	Very low	162 Å²	162	136.6 Å²	136.6	76%	0.757	75%	0.746	S	S	*	*			trans	-84.2	170.9	-158.2	-45.4	-176.3	117	0	0	117.3
584	N	38.3	Very low	32.4	Very low	128 Å²	128	135 Å²	135	68%	0.684	76%	0.755	S	S	*	*			trans	65	82.3	142.9	-70.2	-39.7	0	0	0	119
585	F	24.6	Very low	32.2	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.842	76%	0.755	S	S	*	*			trans	-139.3	106.5	145.5	-158.2	-95.6	0	0	0	112.4	A587	F585-A587 HydrophobicContact CD1-CB 4.27Å; F585-A587 HydrophobicContact CE1-CB 4.42Å; F585-A587 PolarHBondContact O-N 3.4Å; F585-A587 VanDerWaalsContact O-N 3.17Å
586	V	36.5	Very low	32.5	Very low	134 Å²	134	127.5 Å²	127.5	81%	0.812	74%	0.743	S	S	*	*			trans	-86.3	85.2	-179.7	-177	0	0	0	0	110.2	R588	V586-R588 PolarHBondContact O-N 2.85Å; V586-R588 VanDerWaalsContact O-N 3.12Å
587	A	27.3	Very low	32.8	Very low	81 Å²	81	126.9 Å²	126.9	67%	0.669	74%	0.743	S	S	*	*			trans	-75	95.5	173.4	0	0	0	0	0	111.1	F585 G589	F585-A587 HydrophobicContact CD1-CB 4.27Å; F585-A587 HydrophobicContact CE1-CB 4.42Å; F585-A587 PolarHBondContact O-N 3.4Å; F585-A587 VanDerWaalsContact O-N 3.17Å; A587-G589 PolarHBondContact O-N 3.46Å
588	R	32	Very low	33.6	Very low	252 Å²	252	124.3 Å²	124.3	95%	0.951	73%	0.727	S	S	*	*			trans	-71.4	78.3	169.2	-176.8	-175.4	-89.2	-158.2	-5.3	110.2	V586	V586-R588 PolarHBondContact O-N 2.85Å; V586-R588 VanDerWaalsContact O-N 3.12Å
589	G	25.6	Very low	35.1	Very low	62 Å²	62	121.3 Å²	121.3	64%	0.639	71%	0.705	S	S	*	*			trans	-95	145.3	169.1	0	0	0	0	0	111.9	A587	A587-G589 PolarHBondContact O-N 3.46Å
590	S	25.7	Very low	37.4	Very low	107 Å²	107	119.8 Å²	119.8	75%	0.748	68%	0.682	S	S	*	*			trans	-67	142.8	168.4	-170.2	0	0	0	0	109.9	V592	S590-V592 VanDerWaalsContact C-N 3.33Å; S590-V592 PolarHBondContact O-N 3.27Å
591	P	31.9	Very low	39.9	Very low	118 Å²	118	109.8 Å²	109.8	77%	0.766	64%	0.639	S	S	*	*			trans	-69.4	90.4	175.2	29.6	-34.8	0	0	0	110.3	P593	P591-P593 WeakPolarHBondContact O-CD 3.45Å
592	V	26.6	Very low	42.1	Very low	124 Å²	124	106.5 Å²	106.5	75%	0.752	61%	0.611	S	S	*	*			trans	-55.9	124.9	154.4	179.8	0	0	0	0	106.1	S590 A594	S590-V592 VanDerWaalsContact C-N 3.33Å; S590-V592 PolarHBondContact O-N 3.27Å; V592-A594 PolarHBondContact O-N 2.88Å
593	P	30.1	Very low	44.6	Very low	112 Å²	112	102.3 Å²	102.3	73%	0.727	59%	0.586	S	S	*	*			trans	-55.9	119.2	174	-23.7	33.9	0	0	0	108.3	P591 V595	P591-P593 WeakPolarHBondContact O-CD 3.45Å; P593-V595 PolarHBondContact O-N 3.09Å
594	A	30.1	Very low	46.9	Very low	89 Å²	89	95.7 Å²	95.7	74%	0.736	56%	0.555	S	S	*	*			trans	-60	114.2	175.1	0	0	0	0	0	107	V592 S596	V592-A594 PolarHBondContact O-N 2.88Å; A594-S596 PolarHBondContact O-N 3Å
595	V	34.9	Very low	48.8	Very low	122 Å²	122	93.2 Å²	93.2	74%	0.739	55%	0.546	S	S	*	.			trans	-54	111.9	177.2	175.5	0	0	0	0	106.7	P593 Q597	P593-V595 PolarHBondContact O-N 3.09Å; V595-Q597 PolarHBondContact O-N 3.24Å
596	S	40.5	Very low	51.5	Low	60 Å²	60	86.2 Å²	86.2	42%	0.42	52%	0.519	S	S	.	.			trans	-51.3	110.3	-166.9	-51.7	0	0	0	0	108.9	A594 T598	A594-S596 PolarHBondContact O-N 3Å; S596-T598 PolarHBondContact O-N 2.92Å; S596-T598 VanDerWaalsContact O-N 3.09Å
597	Q	47.7	Very low	53.8	Low	156 Å²	156	79.9 Å²	79.9	73%	0.729	48%	0.481	S	S	*	.			trans	-55.8	122.6	-173.2	-66.8	178.8	-0.2	0	0	107.4	V595 T599	V595-Q597 PolarHBondContact O-N 3.24Å; Q597-T599 VanDerWaalsContact C-N 3.28Å; Q597-T599 PolarHBondContact O-N 3.48Å
598	T	53.2	Low	56.5	Low	62 Å²	62	84.5 Å²	84.5	38%	0.38	48%	0.481	S	S	.	.			trans	-59.1	98.7	172.4	48	0	0	0	0	106.8	Y540 S596 L600	Y540-T598 HydrophobicContact CD2-CG2 3.98Å; Y540-T598 HydrophobicContact CE2-CG2 3.93Å; S596-T598 PolarHBondContact O-N 2.92Å; S596-T598 VanDerWaalsContact O-N 3.09Å; T598-L600 PolarHBondContact O-N 3.46Å
599	T	65.8	Low	58.9	Low	45 Å²	45	77.5 Å²	77.5	28%	0.276	46%	0.463	S	S	.	.			trans	-57.5	111.6	-171.5	51.7	0	0	0	0	107.6	Q597 Q604 F628	Q597-T599 VanDerWaalsContact C-N 3.28Å; Q597-T599 PolarHBondContact O-N 3.48Å; T599-Q604 PolarHBondContact OG1-NE2 3.03Å; T599-F628 WeakPolarHBondContact O-CE1 3.43Å
600	L	80.4	Confident	61.7	Low	29 Å²	29	76.5 Å²	76.5	15%	0.152	45%	0.446	C	S	.	.			trans	-61.5	154.5	174.6	-62.5	177	0	0	0	108.8	T598 Q602 Q603 Q604 E625	T598-L600 PolarHBondContact O-N 3.46Å; L600-Q602 VanDerWaalsContact C-N 3.25Å; L600-Q602 HydrophobicContact CB-CG 3.92Å; L600-Q602 HydrophobicContact CD1-CG 4.41Å; L600-Q602 PolarHBondContact O-N 2.94Å; L600-Q603 HydrophobicContact CB-CB 4.25Å; L600-Q603 HydrophobicContact CB-CG 3.93Å; L600-Q603 HydrophobicContact CG-CG 4.49Å; L600-Q603 WeakPolarHBondContact O-CA 3.24Å; L600-Q603 WeakPolarHBondContact O-CB 3.49Å; L600-Q603 PolarHBondContact O-N 3.39Å; L600-Q604 PolarHBondContact O-N 2.76Å; L600-E625 WeakPolarHBondContact CB-OE1 3.23Å
601	W	87.1	Confident	64.4	Low	1 Å²	1	73 Å²	73	0%	0.004	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-55.3	-45.8	177	172.1	77.9	0	0	0	111	Q603 Q604 V607 L613 L616 I621 Q624 E625 F628 I692 V693 F694	W601-Q603 PolarHBondContact O-N 3.39Å; W601-Q603 VanDerWaalsContact O-N 3.12Å; W601-Q604 WeakPolarHBondContact O-CB 3.47Å; W601-Q604 PolarHBondContact O-N 3.14Å; W601-Q604 VanDerWaalsContact O-N 3.09Å; W601-V607 HydrophobicContact CD2-CG1 4.3Å; W601-V607 HydrophobicContact CD2-CG2 4.29Å; W601-V607 HydrophobicContact CE3-CG1 4.25Å; W601-V607 HydrophobicContact CH2-CG1 3.71Å; W601-V607 HydrophobicContact CZ2-CG1 3.8Å; W601-V607 HydrophobicContact CZ2-CG2 3.95Å; W601-V607 HydrophobicContact CZ3-CG1 3.96Å; W601-L613 HydrophobicContact CE3-CD2 4.46Å; W601-L613 HydrophobicContact CH2-CD2 4.36Å; W601-L613 HydrophobicContact CZ3-CD2 3.77Å; W601-L616 HydrophobicContact CH2-CD1 3.51Å; W601-L616 HydrophobicContact CZ3-CD1 3.99Å; W601-I621 HydrophobicContact CE3-CG2 4.4Å; W601-I621 HydrophobicContact CZ3-CG1 4.38Å; W601-I621 HydrophobicContact CZ3-CG2 4.44Å; W601-Q624 HydrophobicContact CD2-CB 3.59Å; W601-Q624 HydrophobicContact CD2-CG 4.39Å; W601-Q624 HydrophobicContact CE3-CB 3.63Å; W601-Q624 HydrophobicContact CE3-CG 4.36Å; W601-Q624 HydrophobicContact CG-CB 4.11Å; W601-Q624 HydrophobicContact CH2-CB 4.3Å; W601-Q624 HydrophobicContact CH2-CG 4.16Å; W601-Q624 HydrophobicContact CZ2-CB 4.25Å; W601-Q624 HydrophobicContact CZ2-CG 4.15Å; W601-Q624 HydrophobicContact CZ3-CB 4Å; W601-Q624 HydrophobicContact CZ3-CG 4.24Å; W601-E625 HydrophobicContact CB-CG 3.87Å; W601-F628 HydrophobicContact CB-CB 4.06Å; W601-F628 HydrophobicContact CB-CD1 4.02Å; W601-F628 HydrophobicContact CB-CG 4.08Å; W601-I692 WeakPolarHBondContact CZ2-O 3.45Å; W601-I692 PolarHBondContact NE1-O 3.4Å; W601-V693 HydrophobicContact CH2-CG2 4.43Å; W601-V693 HydrophobicContact CZ2-CG2 4.35Å; W601-F694 AromaticContact CD1-CE2 3.2Å; W601-F694 AromaticContact CD1-CZ 3.26Å; W601-F694 HydrophobicContact CG-CE2 4.3Å; W601-F694 AromaticContact NE1-CE1 3.71Å; W601-F694 AromaticContact NE1-CE2 3.36Å; W601-F694 AromaticContact NE1-CZ 3.15Å
602	Q	83	Confident	66.9	Low	40 Å²	40	69.3 Å²	69.3	19%	0.187	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-63.4	-13.4	174.1	65.3	176.8	-64.7	0	0	115.2	M567 L600 R608 L613 I621 E625	M567-Q602 PolarHBondContact SD-NE2 3.43Å; M567-Q602 VanDerWaalsContact SD-NE2 3.42Å; L600-Q602 VanDerWaalsContact C-N 3.25Å; L600-Q602 HydrophobicContact CB-CG 3.92Å; L600-Q602 HydrophobicContact CD1-CG 4.41Å; L600-Q602 PolarHBondContact O-N 2.94Å; Q602-R608 WeakPolarHBondContact O-CG 3.46Å; Q602-L613 HydrophobicContact CB-CD1 4.04Å; Q602-L613 HydrophobicContact CB-CD2 3.64Å; Q602-I621 HydrophobicContact CB-CG2 4.25Å; Q602-E625 WeakPolarHBondContact CG-OE1 3.47Å; Q602-E625 PolarHBondContact NE2-OE1 3.43Å
603	Q	82.1	Confident	69.7	Low	72 Å²	72	65.3 Å²	65.3	34%	0.336	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-92	-13.2	176.3	-71.2	171.2	-15.4	0	0	112.9	L600 W601	L600-Q603 HydrophobicContact CB-CB 4.25Å; L600-Q603 HydrophobicContact CB-CG 3.93Å; L600-Q603 HydrophobicContact CG-CG 4.49Å; L600-Q603 WeakPolarHBondContact O-CA 3.24Å; L600-Q603 WeakPolarHBondContact O-CB 3.49Å; L600-Q603 PolarHBondContact O-N 3.39Å; W601-Q603 PolarHBondContact O-N 3.39Å; W601-Q603 VanDerWaalsContact O-N 3.12Å
604	Q	81.3	Confident	72.3	Confident	24 Å²	24	67.2 Å²	67.2	11%	0.112	38%	0.378	C	S	.	.	S	Bend	trans	-59.2	132.8	176.9	-71	-62.2	-31.1	0	0	110.6	T599 L600 W601 T606 V607 R608 F628	T599-Q604 PolarHBondContact OG1-NE2 3.03Å; L600-Q604 PolarHBondContact O-N 2.76Å; W601-Q604 WeakPolarHBondContact O-CB 3.47Å; W601-Q604 PolarHBondContact O-N 3.14Å; W601-Q604 VanDerWaalsContact O-N 3.09Å; Q604-T606 VanDerWaalsContact C-N 3.26Å; Q604-T606 PolarHBondContact O-N 2.95Å; Q604-V607 HydrophobicContact CB-CB 4.31Å; Q604-V607 HydrophobicContact CB-CG2 3.96Å; Q604-V607 PolarHBondContact O-N 3.44Å; Q604-R608 PolarHBondContact O-N 3.34Å; Q604-F628 HydrophobicContact CG-CE1 4.31Å; Q604-F628 HydrophobicContact CG-CZ 3.94Å
605	P	79.1	Confident	74.9	Confident	76 Å²	76	70 Å²	70	49%	0.494	38%	0.376	S	S	.	.	H	α-helix	trans	-53.1	-43.7	179.2	-28.2	35.3	0	0	0	112.4	V607 R608 D609	P605-V607 PolarHBondContact O-N 3.32Å; P605-V607 VanDerWaalsContact O-N 3.15Å; P605-R608 PolarHBondContact O-N 3.35Å; P605-D609 VanDerWaalsContact O-CB 3.22Å; P605-D609 WeakPolarHBondContact O-CB 3.41Å; P605-D609 PolarHBondContact O-N 3.46Å
606	T	81.3	Confident	77.5	Confident	44 Å²	44	65.9 Å²	65.9	27%	0.27	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-21.6	178.8	53.8	0	0	0	0	114.8	R523 Q604	R523-T606 HydrophobicContact CG-CG2 4.35Å; Q604-T606 VanDerWaalsContact C-N 3.26Å; Q604-T606 PolarHBondContact O-N 2.95Å
607	V	83.8	Confident	79.8	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-88.9	-43	175.4	-179.5	0	0	0	0	109.6	W601 Q604 P605 S610 L613 I692	W601-V607 HydrophobicContact CD2-CG1 4.3Å; W601-V607 HydrophobicContact CD2-CG2 4.29Å; W601-V607 HydrophobicContact CE3-CG1 4.25Å; W601-V607 HydrophobicContact CH2-CG1 3.71Å; W601-V607 HydrophobicContact CZ2-CG1 3.8Å; W601-V607 HydrophobicContact CZ2-CG2 3.95Å; W601-V607 HydrophobicContact CZ3-CG1 3.96Å; Q604-V607 HydrophobicContact CB-CB 4.31Å; Q604-V607 HydrophobicContact CB-CG2 3.96Å; Q604-V607 PolarHBondContact O-N 3.44Å; P605-V607 PolarHBondContact O-N 3.32Å; P605-V607 VanDerWaalsContact O-N 3.15Å; V607-S610 PolarHBondContact O-N 2.93Å; V607-S610 PolarHBondContact O-OG 2.75Å; V607-L613 HydrophobicContact CG1-CD1 4.3Å; V607-L613 HydrophobicContact CG1-CD2 3.72Å; V607-L613 HydrophobicContact CG1-CG 3.93Å; V607-I692 HydrophobicContact CG2-CG2 4Å
608	R	83.8	Confident	81.7	Confident	177 Å²	177	63.5 Å²	63.5	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-64.1	-43.5	176.2	-67.3	-173.8	61.6	-161.6	-6.4	113.5	Q602 Q604 P605 S610 L613	Q602-R608 WeakPolarHBondContact O-CG 3.46Å; Q604-R608 PolarHBondContact O-N 3.34Å; P605-R608 PolarHBondContact O-N 3.35Å; R608-S610 PolarHBondContact O-N 3.19Å; R608-L613 HydrophobicContact CG-CD1 4.46Å
609	D	83.9	Confident	83.1	Confident	106 Å²	106	65.1 Å²	65.1	57%	0.567	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.5	179	-63.1	-7.2	0	0	0	112.5	R518 P605	R518-D609 IonicContact NH1-OD2 3.96Å; R518-D609 PolarHBondContact NH1-OD2 2.78Å; P605-D609 VanDerWaalsContact O-CB 3.22Å; P605-D609 WeakPolarHBondContact O-CB 3.41Å; P605-D609 PolarHBondContact O-N 3.46Å
610	S	84.4	Confident	84.2	Confident	41 Å²	41	67.4 Å²	67.4	29%	0.287	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-14.5	-170.4	74.7	0	0	0	0	115.5	V607 R608 L612	V607-S610 PolarHBondContact O-N 2.93Å; V607-S610 PolarHBondContact O-OG 2.75Å; R608-S610 PolarHBondContact O-N 3.19Å; S610-L612 PolarHBondContact O-N 2.78Å; S610-L612 VanDerWaalsContact O-N 3.14Å; S610-L612 WeakPolarHBondContact OG-CB 3.31Å; S610-L612 WeakPolarHBondContact OG-CD1 3.49Å; S610-L612 WeakPolarHBondContact OG-CG 3.3Å; S610-L612 PolarHBondContact OG-N 3.02Å
611	G	81.9	Confident	84.6	Confident	32 Å²	32	66.7 Å²	66.7	33%	0.33	35%	0.353	S	S	.	.			trans	68.6	-1.8	-172.8	0	0	0	0	0	115.6	L613 D614	G611-L613 PolarHBondContact O-N 3.13Å; G611-D614 PolarHBondContact O-N 2.88Å
612	L	84.8	Confident	84.5	Confident	41 Å²	41	67.8 Å²	67.8	22%	0.215	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-65.5	-20.9	-176.5	-66.3	172.7	0	0	0	114	S610 D614 Q615 L616 I692 V693	S610-L612 PolarHBondContact O-N 2.78Å; S610-L612 VanDerWaalsContact O-N 3.14Å; S610-L612 WeakPolarHBondContact OG-CB 3.31Å; S610-L612 WeakPolarHBondContact OG-CD1 3.49Å; S610-L612 WeakPolarHBondContact OG-CG 3.3Å; S610-L612 PolarHBondContact OG-N 3.02Å; L612-D614 PolarHBondContact O-N 3.29Å; L612-Q615 PolarHBondContact O-N 3.04Å; L612-Q615 VanDerWaalsContact O-N 3.08Å; L612-L616 WeakPolarHBondContact O-CG 3.41Å; L612-L616 PolarHBondContact O-N 3.45Å; L612-I692 HydrophobicContact CD1-CB 3.93Å; L612-I692 HydrophobicContact CD1-CD1 4.36Å; L612-I692 HydrophobicContact CD1-CG2 3.81Å; L612-V693 HydrophobicContact CD1-CG2 4.27Å
613	L	85	Confident	84.8	Confident	41 Å²	41	67.3 Å²	67.3	22%	0.215	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-64.9	-24.5	178	-65.5	176.1	0	0	0	113.2	W601 Q602 V607 R608 G611 Q615 I621	W601-L613 HydrophobicContact CE3-CD2 4.46Å; W601-L613 HydrophobicContact CH2-CD2 4.36Å; W601-L613 HydrophobicContact CZ3-CD2 3.77Å; Q602-L613 HydrophobicContact CB-CD1 4.04Å; Q602-L613 HydrophobicContact CB-CD2 3.64Å; V607-L613 HydrophobicContact CG1-CD1 4.3Å; V607-L613 HydrophobicContact CG1-CD2 3.72Å; V607-L613 HydrophobicContact CG1-CG 3.93Å; R608-L613 HydrophobicContact CG-CD1 4.46Å; G611-L613 PolarHBondContact O-N 3.13Å; L613-Q615 VanDerWaalsContact C-N 3.31Å; L613-I621 HydrophobicContact CD2-CD1 4.21Å; L613-I621 HydrophobicContact CD2-CG1 4.4Å
614	D	83.6	Confident	85.2	Confident	151 Å²	151	64.4 Å²	64.4	81%	0.807	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-86	-5.8	177	-55.2	-46.3	0	0	0	112.2	G611 L612	G611-D614 PolarHBondContact O-N 2.88Å; L612-D614 PolarHBondContact O-N 3.29Å
615	Q	86.1	Confident	85.5	Confident	148 Å²	148	63.6 Å²	63.6	69%	0.692	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-21.7	-179.6	-57.4	179.5	16.7	0	0	113.3	L612 L613	L612-Q615 PolarHBondContact O-N 3.04Å; L612-Q615 VanDerWaalsContact O-N 3.08Å; L613-Q615 VanDerWaalsContact C-N 3.31Å
616	L	88.4	Confident	86	Confident	35 Å²	35	60 Å²	60	18%	0.183	31%	0.314	C	S	.	.	S	Bend	trans	-91.9	143.3	-177.5	-68.4	168.5	0	0	0	111.5	W601 L612 Q620 I621 V693	W601-L616 HydrophobicContact CH2-CD1 3.51Å; W601-L616 HydrophobicContact CZ3-CD1 3.99Å; L612-L616 WeakPolarHBondContact O-CG 3.41Å; L612-L616 PolarHBondContact O-N 3.45Å; L616-Q620 HydrophobicContact CB-CB 4.3Å; L616-Q620 HydrophobicContact CD2-CB 4.18Å; L616-I621 HydrophobicContact CB-CD1 4.45Å; L616-I621 HydrophobicContact CB-CG1 3.95Å; L616-V693 HydrophobicContact CD1-CG2 4Å; L616-V693 HydrophobicContact CD2-CG2 4.45Å
617	T	89	Confident	86.5	Confident	81 Å²	81	58 Å²	58	50%	0.497	30%	0.301	S	S	.	.			trans	-69.4	154.8	171.8	75.7	0	0	0	0	111	D619 Q620 I621	T617-D619 PolarHBondContact O-N 3.43Å; T617-D619 VanDerWaalsContact O-N 3.12Å; T617-Q620 WeakPolarHBondContact O-CB 3.46Å; T617-Q620 PolarHBondContact O-N 2.93Å; T617-Q620 WeakPolarHBondContact OG1-CG 3.42Å; T617-Q620 PolarHBondContact OG1-N 3.43Å; T617-I621 WeakPolarHBondContact O-CG1 3.44Å; T617-I621 PolarHBondContact O-N 2.99Å
618	V	86.8	Confident	86.8	Confident	86 Å²	86	58.1 Å²	58.1	52%	0.521	30%	0.302	S	S	.	.	H	α-helix	trans	-51.2	-37.1	175.8	167.2	0	0	0	0	112	M567 K622	M567-V618 HydrophobicContact CE-CG1 4.38Å; V618-K622 WeakPolarHBondContact O-CG 3.32Å; V618-K622 PolarHBondContact O-N 3.48Å
619	D	83.9	Confident	87.1	Confident	96 Å²	96	51 Å²	51	51%	0.513	28%	0.276	S	S	.	.	H	α-helix	trans	-82	-26.6	179.8	-57.6	-50.7	0	0	0	113.4	T617 K622 Y623	T617-D619 PolarHBondContact O-N 3.43Å; T617-D619 VanDerWaalsContact O-N 3.12Å; D619-K622 PolarHBondContact O-N 3.49Å; D619-K622 WeakPolarHBondContact OD1-CD 3.29Å; D619-K622 WeakPolarHBondContact OD1-CE 3.45Å; D619-K622 IonicContact OD1-NZ 3.2Å; D619-K622 PolarHBondContact OD1-NZ 3.35Å; D619-Y623 WeakPolarHBondContact O-CB 3.25Å; D619-Y623 PolarHBondContact O-N 3.41Å
620	Q	87.6	Confident	87.5	Confident	92 Å²	92	46 Å²	46	43%	0.43	25%	0.249	S	C	.	.	H	α-helix	trans	-65.6	-41.2	166.6	-74.5	172.1	-40	0	0	111.3	L616 T617 K622 Y623 Q624	L616-Q620 HydrophobicContact CB-CB 4.3Å; L616-Q620 HydrophobicContact CD2-CB 4.18Å; T617-Q620 WeakPolarHBondContact O-CB 3.46Å; T617-Q620 PolarHBondContact O-N 2.93Å; T617-Q620 WeakPolarHBondContact OG1-CG 3.42Å; T617-Q620 PolarHBondContact OG1-N 3.43Å; Q620-K622 VanDerWaalsContact C-N 3.35Å; Q620-Y623 WeakPolarHBondContact O-CB 3.5Å; Q620-Y623 PolarHBondContact O-N 2.87Å; Q620-Y623 VanDerWaalsContact O-N 3.17Å; Q620-Q624 WeakPolarHBondContact O-CG 3.49Å; Q620-Q624 PolarHBondContact O-N 3.1Å
621	I	88.6	Confident	87.9	Confident	15 Å²	15	44 Å²	44	8%	0.077	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-46.1	173.7	-63	171.8	0	0	0	109.8	W601 Q602 L613 L616 T617 Y623 Q624 E625	W601-I621 HydrophobicContact CE3-CG2 4.4Å; W601-I621 HydrophobicContact CZ3-CG1 4.38Å; W601-I621 HydrophobicContact CZ3-CG2 4.44Å; Q602-I621 HydrophobicContact CB-CG2 4.25Å; L613-I621 HydrophobicContact CD2-CD1 4.21Å; L613-I621 HydrophobicContact CD2-CG1 4.4Å; L616-I621 HydrophobicContact CB-CD1 4.45Å; L616-I621 HydrophobicContact CB-CG1 3.95Å; T617-I621 WeakPolarHBondContact O-CG1 3.44Å; T617-I621 PolarHBondContact O-N 2.99Å; I621-Y623 VanDerWaalsContact C-N 3.3Å; I621-Y623 PolarHBondContact O-N 3.08Å; I621-Q624 PolarHBondContact O-N 3.06Å; I621-E625 HydrophobicContact CG2-CG 4.44Å; I621-E625 WeakPolarHBondContact O-CB 3.42Å; I621-E625 WeakPolarHBondContact O-CG 3.37Å; I621-E625 PolarHBondContact O-N 3.42Å
622	K	86	Confident	88.2	Confident	23 Å²	23	43.3 Å²	43.3	10%	0.1	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-36.7	174.2	-68.7	171.7	-158.3	165.6	0	112.9	M563 D564 M567 V618 D619 Q620 S626	M563-K622 HydrophobicContact CE-CB 3.91Å; M563-K622 HydrophobicContact CE-CG 4.34Å; M563-K622 WeakPolarHBondContact CE-O 3.46Å; M563-K622 HydrophobicContact CG-CG 4.44Å; D564-K622 WeakPolarHBondContact OD1-CE 3.5Å; D564-K622 IonicContact OD1-NZ 2.77Å; D564-K622 PolarHBondContact OD1-NZ 3.38Å; M567-K622 HydrophobicContact CE-CD 4.34Å; M567-K622 HydrophobicContact CE-CG 3.55Å; V618-K622 WeakPolarHBondContact O-CG 3.32Å; V618-K622 PolarHBondContact O-N 3.48Å; D619-K622 PolarHBondContact O-N 3.49Å; D619-K622 WeakPolarHBondContact OD1-CD 3.29Å; D619-K622 WeakPolarHBondContact OD1-CE 3.45Å; D619-K622 IonicContact OD1-NZ 3.2Å; D619-K622 PolarHBondContact OD1-NZ 3.35Å; Q620-K622 VanDerWaalsContact C-N 3.35Å; K622-S626 WeakPolarHBondContact O-CB 3.45Å; K622-S626 PolarHBondContact O-N 2.84Å; K622-S626 PolarHBondContact O-OG 2.87Å
623	Y	89.1	Confident	88.5	Confident	31 Å²	31	41.4 Å²	41.4	12%	0.122	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-49.2	177.7	-169	-104.6	0	0	0	110.9	D619 Q620 I621 E625 S626 M627 D696 I775 R778 T779	D619-Y623 WeakPolarHBondContact O-CB 3.25Å; D619-Y623 PolarHBondContact O-N 3.41Å; Q620-Y623 WeakPolarHBondContact O-CB 3.5Å; Q620-Y623 PolarHBondContact O-N 2.87Å; Q620-Y623 VanDerWaalsContact O-N 3.17Å; I621-Y623 VanDerWaalsContact C-N 3.3Å; I621-Y623 PolarHBondContact O-N 3.08Å; Y623-E625 PolarHBondContact O-N 3.41Å; Y623-S626 WeakPolarHBondContact O-CB 3.34Å; Y623-S626 PolarHBondContact O-N 3.49Å; Y623-S626 VanDerWaalsContact O-N 3.09Å; Y623-M627 HydrophobicContact CD1-CE 3.62Å; Y623-M627 HydrophobicContact CD1-SD 4.18Å; Y623-M627 HydrophobicContact CE1-CE 3.58Å; Y623-M627 HydrophobicContact CE1-SD 3.61Å; Y623-M627 PolarHBondContact O-N 2.91Å; Y623-M627 VanDerWaalsContact O-N 3.14Å; Y623-D696 PolarHBondContact OH-OD1 2.65Å; Y623-D696 VanDerWaalsContact OH-OD1 3.06Å; Y623-I775 HydrophobicContact CE2-CG2 3.59Å; Y623-R778 HydrophobicContact CD2-CB 3.86Å; Y623-T779 HydrophobicContact CE2-CG2 3.61Å
624	Q	91	Very high	89	Confident	11 Å²	11	39.4 Å²	39.4	5%	0.051	21%	0.205	C	C	.	.	H	α-helix	trans	-59.6	-44.6	175.1	-67.3	-61.4	-38.7	0	0	112.4	W601 Q620 I621 S626 M627 F628 V693 F694	W601-Q624 HydrophobicContact CD2-CB 3.59Å; W601-Q624 HydrophobicContact CD2-CG 4.39Å; W601-Q624 HydrophobicContact CE3-CB 3.63Å; W601-Q624 HydrophobicContact CE3-CG 4.36Å; W601-Q624 HydrophobicContact CG-CB 4.11Å; W601-Q624 HydrophobicContact CH2-CB 4.3Å; W601-Q624 HydrophobicContact CH2-CG 4.16Å; W601-Q624 HydrophobicContact CZ2-CB 4.25Å; W601-Q624 HydrophobicContact CZ2-CG 4.15Å; W601-Q624 HydrophobicContact CZ3-CB 4Å; W601-Q624 HydrophobicContact CZ3-CG 4.24Å; Q620-Q624 WeakPolarHBondContact O-CG 3.49Å; Q620-Q624 PolarHBondContact O-N 3.1Å; I621-Q624 PolarHBondContact O-N 3.06Å; Q624-S626 VanDerWaalsContact C-N 3.27Å; Q624-S626 PolarHBondContact O-N 2.95Å; Q624-M627 VanDerWaalsContact NE2-CE 3.32Å; Q624-M627 PolarHBondContact O-N 3.09Å; Q624-F628 WeakPolarHBondContact O-CB 3.5Å; Q624-F628 PolarHBondContact O-N 3.17Å; Q624-V693 HydrophobicContact CG-CG1 4.21Å; Q624-V693 VanDerWaalsContact NE2-CG1 3.3Å; Q624-F694 PolarHBondContact NE2-O 3.38Å; Q624-F694 VanDerWaalsContact OE1-CB 3.3Å; Q624-F694 VanDerWaalsContact OE1-CD2 3.32Å
625	E	88.2	Confident	89.4	Confident	7 Å²	7	33.2 Å²	33.2	3%	0.033	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-34.5	174.2	-72.6	178.9	141.4	0	0	112.7	M563 L600 W601 Q602 I621 Y623 F628 E629	M563-E625 HydrophobicContact CE-CB 3.75Å; M563-E625 VanDerWaalsContact CG-OE2 3.25Å; M563-E625 WeakPolarHBondContact CG-OE2 3.42Å; M563-E625 HydrophobicContact SD-CB 3.5Å; M563-E625 WeakPolarHBondContact SD-CB 3.41Å; M563-E625 HydrophobicContact SD-CG 4.37Å; L600-E625 WeakPolarHBondContact CB-OE1 3.23Å; W601-E625 HydrophobicContact CB-CG 3.87Å; Q602-E625 WeakPolarHBondContact CG-OE1 3.47Å; Q602-E625 PolarHBondContact NE2-OE1 3.43Å; I621-E625 HydrophobicContact CG2-CG 4.44Å; I621-E625 WeakPolarHBondContact O-CB 3.42Å; I621-E625 WeakPolarHBondContact O-CG 3.37Å; I621-E625 PolarHBondContact O-N 3.42Å; Y623-E625 PolarHBondContact O-N 3.41Å; E625-F628 PolarHBondContact O-N 2.95Å; E625-E629 PolarHBondContact O-N 3.09Å
626	S	89.1	Confident	89.6	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-68.9	-41	178.2	-54.4	0	0	0	0	112.5	M563 K622 Y623 Q624 E629 V630 R778	M563-S626 WeakPolarHBondContact CE-OG 3.49Å; K622-S626 WeakPolarHBondContact O-CB 3.45Å; K622-S626 PolarHBondContact O-N 2.84Å; K622-S626 PolarHBondContact O-OG 2.87Å; Y623-S626 WeakPolarHBondContact O-CB 3.34Å; Y623-S626 PolarHBondContact O-N 3.49Å; Y623-S626 VanDerWaalsContact O-N 3.09Å; Q624-S626 VanDerWaalsContact C-N 3.27Å; Q624-S626 PolarHBondContact O-N 2.95Å; S626-E629 VanDerWaalsContact O-CB 3.31Å; S626-E629 WeakPolarHBondContact O-CB 3.4Å; S626-E629 PolarHBondContact O-N 3.2Å; S626-V630 PolarHBondContact O-N 3.22Å; S626-R778 WeakPolarHBondContact OG-CD 3.41Å; S626-R778 PolarHBondContact OG-NH1 3.28Å
627	M	91.4	Very high	89.9	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70.3	-36.8	175.4	-61.7	-171.7	-65.1	0	0	111.2	Y623 Q624 E629 V630 L631 F694 I697 I775	Y623-M627 HydrophobicContact CD1-CE 3.62Å; Y623-M627 HydrophobicContact CD1-SD 4.18Å; Y623-M627 HydrophobicContact CE1-CE 3.58Å; Y623-M627 HydrophobicContact CE1-SD 3.61Å; Y623-M627 PolarHBondContact O-N 2.91Å; Y623-M627 VanDerWaalsContact O-N 3.14Å; Q624-M627 VanDerWaalsContact NE2-CE 3.32Å; Q624-M627 PolarHBondContact O-N 3.09Å; M627-E629 VanDerWaalsContact C-N 3.31Å; M627-E629 PolarHBondContact O-N 3.24Å; M627-V630 WeakPolarHBondContact O-CB 3.5Å; M627-V630 PolarHBondContact O-N 3.15Å; M627-V630 VanDerWaalsContact O-N 3.14Å; M627-L631 PolarHBondContact O-N 2.92Å; M627-F694 HydrophobicContact CE-CB 4.2Å; M627-I697 HydrophobicContact CB-CD1 3.84Å; M627-I697 HydrophobicContact CB-CG1 4.05Å; M627-I697 HydrophobicContact CG-CD1 4.23Å; M627-I697 HydrophobicContact CG-CG1 3.96Å; M627-I697 HydrophobicContact SD-CG1 4.14Å; M627-I775 HydrophobicContact CG-CD1 4.13Å; M627-I775 HydrophobicContact CG-CG1 4.36Å
628	F	90.2	Very high	90.2	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.022	12%	0.115	C	C	.	.	H	α-helix	trans	-67.8	-29.2	174	-160.9	-115.9	0	0	0	113	F527 T599 W601 Q604 Q624 E625 V630 L631 T632 F694	F527-F628 HydrophobicContact CD2-CZ 4.47Å; F527-F628 AromaticContact CE2-CE2 3.97Å; F527-F628 HydrophobicContact CE2-CE2 3.97Å; F527-F628 AromaticContact CE2-CZ 3.57Å; F527-F628 HydrophobicContact CE2-CZ 3.57Å; F527-F628 HydrophobicContact CZ-CE2 4.05Å; F527-F628 HydrophobicContact CZ-CZ 4.04Å; T599-F628 WeakPolarHBondContact O-CE1 3.43Å; W601-F628 HydrophobicContact CB-CB 4.06Å; W601-F628 HydrophobicContact CB-CD1 4.02Å; W601-F628 HydrophobicContact CB-CG 4.08Å; Q604-F628 HydrophobicContact CG-CE1 4.31Å; Q604-F628 HydrophobicContact CG-CZ 3.94Å; Q624-F628 WeakPolarHBondContact O-CB 3.5Å; Q624-F628 PolarHBondContact O-N 3.17Å; E625-F628 PolarHBondContact O-N 2.95Å; F628-V630 VanDerWaalsContact C-N 3.27Å; F628-V630 PolarHBondContact O-N 3.36Å; F628-L631 HydrophobicContact CD2-CD2 4.22Å; F628-L631 HydrophobicContact CE2-CD2 4.1Å; F628-L631 PolarHBondContact O-N 2.99Å; F628-T632 HydrophobicContact CD1-CG2 3.82Å; F628-T632 HydrophobicContact CE1-CG2 3.57Å; F628-T632 HydrophobicContact CE2-CG2 4.33Å; F628-T632 HydrophobicContact CG-CG2 4.31Å; F628-T632 HydrophobicContact CZ-CG2 3.87Å; F628-T632 WeakPolarHBondContact O-CB 3.46Å; F628-T632 WeakPolarHBondContact O-CG2 3.43Å; F628-T632 PolarHBondContact O-N 3.25Å; F628-T632 PolarHBondContact O-OG1 2.92Å; F628-F694 HydrophobicContact CB-CE2 4.3Å; F628-F694 AromaticContact CD2-CE2 3.65Å; F628-F694 HydrophobicContact CD2-CE2 3.65Å; F628-F694 HydrophobicContact CD2-CZ 4.1Å; F628-F694 HydrophobicContact CE2-CE2 4.38Å; F628-F694 HydrophobicContact CE2-CZ 4.39Å; F628-F694 HydrophobicContact CG-CE2 4.34Å
629	E	89.9	Confident	90.6	Very high	28 Å²	28	21.2 Å²	21.2	13%	0.131	10%	0.103	C	C	.	.	H	α-helix	trans	-59	-38	169.7	-159.8	-170.1	152	0	0	111	Y540 E625 S626 M627 S633 R767 L771	Y540-E629 VanDerWaalsContact OH-CG 3.26Å; Y540-E629 WeakPolarHBondContact OH-CG 3.35Å; E625-E629 PolarHBondContact O-N 3.09Å; S626-E629 VanDerWaalsContact O-CB 3.31Å; S626-E629 WeakPolarHBondContact O-CB 3.4Å; S626-E629 PolarHBondContact O-N 3.2Å; M627-E629 VanDerWaalsContact C-N 3.31Å; M627-E629 PolarHBondContact O-N 3.24Å; E629-S633 WeakPolarHBondContact O-CB 3.33Å; E629-S633 PolarHBondContact O-N 3.18Å; E629-S633 PolarHBondContact O-OG 3.06Å; E629-R767 IonicContact OE1-CZ 2.63Å; E629-R767 IonicContact OE1-NH1 3.57Å; E629-R767 PolarHBondContact OE1-NH1 3.13Å; E629-R767 IonicContact OE1-NH2 3.4Å; E629-R767 PolarHBondContact OE1-NH2 3.05Å; E629-L771 HydrophobicContact CB-CD2 4.01Å; E629-L771 HydrophobicContact CG-CD2 3.64Å; E629-L771 VanDerWaalsContact OE1-CD2 3.23Å; E629-L771 WeakPolarHBondContact OE1-CD2 3.39Å
630	V	92.7	Very high	91.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-63.7	-53.1	175.5	-174.2	0	0	0	0	111	S626 M627 F628 S633 E634 F680 L684 I697 L701 R764 L771 I775	S626-V630 PolarHBondContact O-N 3.22Å; M627-V630 WeakPolarHBondContact O-CB 3.5Å; M627-V630 PolarHBondContact O-N 3.15Å; M627-V630 VanDerWaalsContact O-N 3.14Å; F628-V630 VanDerWaalsContact C-N 3.27Å; F628-V630 PolarHBondContact O-N 3.36Å; V630-S633 PolarHBondContact O-N 2.95Å; V630-S633 PolarHBondContact O-OG 3.38Å; V630-E634 WeakPolarHBondContact O-CB 3.44Å; V630-E634 PolarHBondContact O-N 2.98Å; V630-F680 HydrophobicContact CG1-CE1 4.43Å; V630-F680 HydrophobicContact CG1-CZ 3.94Å; V630-L684 HydrophobicContact CG1-CD1 3.94Å; V630-I697 HydrophobicContact CB-CD1 3.79Å; V630-I697 HydrophobicContact CG1-CD1 4.15Å; V630-I697 HydrophobicContact CG2-CD1 3.91Å; V630-L701 HydrophobicContact CG1-CD2 4.31Å; V630-R764 PolarHBondContact O-NH2 3.07Å; V630-L771 HydrophobicContact CG2-CB 4.09Å; V630-L771 HydrophobicContact CG2-CD1 4.4Å; V630-L771 HydrophobicContact CG2-CD2 4.47Å; V630-I775 HydrophobicContact CG2-CD1 3.91Å
631	L	92.1	Very high	91.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.5	-51.2	-178.9	-179.2	74.8	0	0	0	112.2	F527 M627 F628 S633 E634 S635 L681 L684 E685 I688 F689	F527-L631 HydrophobicContact CE1-CD2 3.82Å; F527-L631 HydrophobicContact CZ-CD2 3.81Å; F527-L631 HydrophobicContact CZ-CG 4.49Å; M627-L631 PolarHBondContact O-N 2.92Å; F628-L631 HydrophobicContact CD2-CD2 4.22Å; F628-L631 HydrophobicContact CE2-CD2 4.1Å; F628-L631 PolarHBondContact O-N 2.99Å; L631-S633 VanDerWaalsContact C-N 3.35Å; L631-S633 PolarHBondContact O-N 2.93Å; L631-E634 PolarHBondContact O-N 2.87Å; L631-S635 PolarHBondContact O-N 3.27Å; L631-L681 HydrophobicContact CD1-CD1 3.72Å; L631-L684 HydrophobicContact CD1-CB 3.69Å; L631-L684 HydrophobicContact CD1-CD1 4.47Å; L631-E685 HydrophobicContact CD1-CG 3.93Å; L631-I688 HydrophobicContact CB-CD1 3.83Å; L631-I688 HydrophobicContact CD1-CD1 4.27Å; L631-I688 HydrophobicContact CD2-CD1 3.99Å; L631-I688 HydrophobicContact CD2-CG2 4.02Å; L631-I688 HydrophobicContact CG-CD1 4.25Å; L631-F689 HydrophobicContact CD2-CE2 4.24Å; L631-F689 HydrophobicContact CD2-CZ 4.12Å
632	T	89.2	Confident	91.9	Very high	17 Å²	17	15.3 Å²	15.3	10%	0.104	7%	0.07	C	C	.	.	H	α-helix	trans	-67.1	-36.2	-177	53.5	0	0	0	0	112.1	F527 L531 F628 S636	F527-T632 HydrophobicContact CZ-CG2 4.38Å; L531-T632 HydrophobicContact CD2-CG2 4.45Å; F628-T632 HydrophobicContact CD1-CG2 3.82Å; F628-T632 HydrophobicContact CE1-CG2 3.57Å; F628-T632 HydrophobicContact CE2-CG2 4.33Å; F628-T632 HydrophobicContact CG-CG2 4.31Å; F628-T632 HydrophobicContact CZ-CG2 3.87Å; F628-T632 WeakPolarHBondContact O-CB 3.46Å; F628-T632 WeakPolarHBondContact O-CG2 3.43Å; F628-T632 PolarHBondContact O-N 3.25Å; F628-T632 PolarHBondContact O-OG1 2.92Å; T632-S636 WeakPolarHBondContact O-CB 3.46Å; T632-S636 PolarHBondContact O-N 3.41Å; T632-S636 VanDerWaalsContact O-N 3.09Å; T632-S636 PolarHBondContact O-OG 3.37Å
633	S	90.7	Very high	92.4	Very high	1 Å²	1	15 Å²	15	1%	0.007	7%	0.07	C	C	.	.	H	α-helix	trans	-71.5	-31.8	173.6	67.9	0	0	0	0	113.4	Y537 E629 V630 L631 Y637 R764	Y537-S633 WeakPolarHBondContact CD2-O 3.36Å; E629-S633 WeakPolarHBondContact O-CB 3.33Å; E629-S633 PolarHBondContact O-N 3.18Å; E629-S633 PolarHBondContact O-OG 3.06Å; V630-S633 PolarHBondContact O-N 2.95Å; V630-S633 PolarHBondContact O-OG 3.38Å; L631-S633 VanDerWaalsContact C-N 3.35Å; L631-S633 PolarHBondContact O-N 2.93Å; S633-Y637 VanDerWaalsContact O-CB 3.23Å; S633-Y637 WeakPolarHBondContact O-CB 3.37Å; S633-Y637 PolarHBondContact O-N 3.04Å; S633-R764 PolarHBondContact OG-NH1 3.01Å; S633-R764 PolarHBondContact OG-NH2 3.24Å; S633-R764 VanDerWaalsContact OG-NH2 3.07Å
634	E	94.8	Very high	92.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-71.1	-40.6	175.2	-167.7	63.5	-153	0	0	111.6	V630 L631 Y637 L638 S677 F680 L681 R764	V630-E634 WeakPolarHBondContact O-CB 3.44Å; V630-E634 PolarHBondContact O-N 2.98Å; L631-E634 PolarHBondContact O-N 2.87Å; E634-Y637 WeakPolarHBondContact O-CB 3.48Å; E634-Y637 PolarHBondContact O-N 3.05Å; E634-L638 WeakPolarHBondContact O-CB 3.36Å; E634-L638 PolarHBondContact O-N 3.36Å; E634-S677 WeakPolarHBondContact OE1-CA 3.5Å; E634-S677 VanDerWaalsContact OE1-CB 3.29Å; E634-S677 WeakPolarHBondContact OE1-CB 3.5Å; E634-S677 PolarHBondContact OE1-OG 2.98Å; E634-F680 VanDerWaalsContact CD-CD1 3.42Å; E634-F680 HydrophobicContact CG-CD1 3.75Å; E634-F680 HydrophobicContact CG-CE1 4.05Å; E634-F680 WeakPolarHBondContact OE2-CE1 3.4Å; E634-L681 HydrophobicContact CB-CD1 4.18Å; E634-L681 HydrophobicContact CG-CB 4.02Å; E634-L681 HydrophobicContact CG-CD1 4.31Å; E634-R764 IonicContact OE2-CZ 2.66Å; E634-R764 IonicContact OE2-NE 3.5Å; E634-R764 PolarHBondContact OE2-NE 3.3Å; E634-R764 IonicContact OE2-NH2 3.29Å; E634-R764 PolarHBondContact OE2-NH2 3.33Å
635	S	91.8	Very high	93	Very high	20 Å²	20	13 Å²	13	14%	0.14	6%	0.061	C	C	.	.	H	α-helix	trans	-63.2	-42.5	172.6	172.6	0	0	0	0	111.9	L531 L631 Y637 L638 R639	L531-S635 WeakPolarHBondContact CD1-OG 3.25Å; L631-S635 PolarHBondContact O-N 3.27Å; S635-Y637 VanDerWaalsContact C-N 3.31Å; S635-Y637 PolarHBondContact O-N 3.37Å; S635-L638 PolarHBondContact O-N 3.06Å; S635-R639 PolarHBondContact O-N 3.29Å
636	S	90.6	Very high	93.4	Very high	14 Å²	14	18 Å²	18	10%	0.098	9%	0.085	C	C	.	.	H	α-helix	trans	-61.7	-40.4	174.9	-55.1	0	0	0	0	111.6	Y537 T632 R639 S640	Y537-S636 WeakPolarHBondContact CB-O 3.43Å; T632-S636 WeakPolarHBondContact O-CB 3.46Å; T632-S636 PolarHBondContact O-N 3.41Å; T632-S636 VanDerWaalsContact O-N 3.09Å; T632-S636 PolarHBondContact O-OG 3.37Å; S636-R639 WeakPolarHBondContact O-CB 3.41Å; S636-R639 PolarHBondContact O-N 3.19Å; S636-S640 PolarHBondContact O-N 3.39Å
637	Y	95.9	Very high	93.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-51.7	175.1	177.6	-113	0	0	0	112	Y537 S633 E634 S635 R639 S640 L641 V673 S677 Y712 L760 P761 R764	Y537-Y637 HydrophobicContact CD1-CD2 4.04Å; Y537-Y637 HydrophobicContact CD2-CD2 4.23Å; Y537-Y637 HydrophobicContact CD2-CG 4.38Å; Y537-Y637 HydrophobicContact CE1-CD2 4.18Å; Y537-Y637 HydrophobicContact CE2-CD2 4.37Å; Y537-Y637 HydrophobicContact CG-CD2 4.05Å; S633-Y637 VanDerWaalsContact O-CB 3.23Å; S633-Y637 WeakPolarHBondContact O-CB 3.37Å; S633-Y637 PolarHBondContact O-N 3.04Å; E634-Y637 WeakPolarHBondContact O-CB 3.48Å; E634-Y637 PolarHBondContact O-N 3.05Å; S635-Y637 VanDerWaalsContact C-N 3.31Å; S635-Y637 PolarHBondContact O-N 3.37Å; Y637-R639 VanDerWaalsContact C-N 3.28Å; Y637-R639 PolarHBondContact O-N 3.1Å; Y637-S640 PolarHBondContact O-N 3.38Å; Y637-L641 HydrophobicContact CD1-CD1 4.13Å; Y637-L641 HydrophobicContact CD1-CG 4.45Å; Y637-L641 HydrophobicContact CE1-CD1 3.47Å; Y637-L641 VanDerWaalsContact CE1-CD1 3.47Å; Y637-L641 HydrophobicContact CE1-CG 4.01Å; Y637-L641 HydrophobicContact CE2-CD2 4.2Å; Y637-L641 HydrophobicContact CE2-CG 4.23Å; Y637-L641 PolarHBondContact O-N 3.15Å; Y637-V673 WeakPolarHBondContact OH-CG1 3.42Å; Y637-S677 WeakPolarHBondContact CD1-OG 3.34Å; Y637-Y712 WeakPolarHBondContact CE1-OH 3.43Å; Y637-Y712 WeakPolarHBondContact OH-CE1 3.43Å; Y637-L760 HydrophobicContact CD2-CD2 4.27Å; Y637-L760 HydrophobicContact CE2-CB 3.9Å; Y637-L760 HydrophobicContact CE2-CD2 4.31Å; Y637-P761 WeakPolarHBondContact OH-CA 3.44Å; Y637-R764 HydrophobicContact CD1-CB 4.43Å; Y637-R764 HydrophobicContact CD1-CG 3.77Å; Y637-R764 HydrophobicContact CD2-CB 3.72Å; Y637-R764 HydrophobicContact CD2-CG 3.81Å; Y637-R764 HydrophobicContact CE1-CB 4.12Å; Y637-R764 HydrophobicContact CE1-CG 3.74Å; Y637-R764 HydrophobicContact CE2-CB 3.35Å; Y637-R764 HydrophobicContact CE2-CG 3.79Å; Y637-R764 HydrophobicContact CG-CB 4.25Å; Y637-R764 HydrophobicContact CG-CG 3.8Å
638	L	95.5	Very high	93.9	Very high	13 Å²	13	19.1 Å²	19.1	7%	0.068	9%	0.09	C	C	.	.	H	α-helix	trans	-61	-36.9	178.5	-178.1	58.5	0	0	0	111.9	E634 S635 L641 Y642 R674 E678 L681	E634-L638 WeakPolarHBondContact O-CB 3.36Å; E634-L638 PolarHBondContact O-N 3.36Å; S635-L638 PolarHBondContact O-N 3.06Å; L638-L641 WeakPolarHBondContact O-CB 3.43Å; L638-L641 PolarHBondContact O-N 3.13Å; L638-Y642 HydrophobicContact CD1-CD2 4.1Å; L638-Y642 HydrophobicContact CD1-CE2 3.73Å; L638-Y642 HydrophobicContact CD2-CE2 3.95Å; L638-Y642 HydrophobicContact CG-CD2 3.89Å; L638-Y642 HydrophobicContact CG-CE2 3.55Å; L638-Y642 WeakPolarHBondContact O-CD2 3.28Å; L638-Y642 PolarHBondContact O-N 2.97Å; L638-R674 HydrophobicContact CD1-CG 3.59Å; L638-E678 HydrophobicContact CD1-CG 3.77Å; L638-E678 HydrophobicContact CD2-CG 4.07Å; L638-L681 HydrophobicContact CD2-CD2 3.61Å
639	R	93.8	Very high	94.2	Very high	71 Å²	71	20.3 Å²	20.3	27%	0.268	10%	0.096	S	C	.	.	H	α-helix	trans	-58.1	-47.1	171.4	-175.3	-172.2	-175.8	132.8	10.4	112	L531 T532 G534 L536 S635 S636 Y637 L641 Y642 V643	L531-R639 PolarHBondContact O-NH1 3.06Å; T532-R639 VanDerWaalsContact O-CZ 3.3Å; T532-R639 PolarHBondContact O-NH1 3.1Å; T532-R639 PolarHBondContact O-NH2 3.23Å; T532-R639 VanDerWaalsContact O-NH2 3.07Å; G534-R639 VanDerWaalsContact N-NH1 3.19Å; G534-R639 PolarHBondContact O-NH1 2.96Å; L536-R639 HydrophobicContact CD2-CG 3.93Å; S635-R639 PolarHBondContact O-N 3.29Å; S636-R639 WeakPolarHBondContact O-CB 3.41Å; S636-R639 PolarHBondContact O-N 3.19Å; Y637-R639 VanDerWaalsContact C-N 3.28Å; Y637-R639 PolarHBondContact O-N 3.1Å; R639-L641 VanDerWaalsContact C-N 3.31Å; R639-L641 PolarHBondContact O-N 3.13Å; R639-Y642 PolarHBondContact O-N 3.07Å; R639-V643 PolarHBondContact O-N 2.69Å; R639-V643 VanDerWaalsContact O-N 3.1Å
640	S	95.1	Very high	94.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.7	-31.6	176.2	-69.1	0	0	0	0	112.7	L536 Y537 Q538 S636 Y637 V643 L644	L536-S640 WeakPolarHBondContact CD2-OG 3.36Å; Y537-S640 WeakPolarHBondContact CB-OG 3.42Å; Y537-S640 PolarHBondContact N-OG 3.18Å; Q538-S640 PolarHBondContact OE1-OG 3.11Å; S636-S640 PolarHBondContact O-N 3.39Å; Y637-S640 PolarHBondContact O-N 3.38Å; S640-V643 PolarHBondContact O-N 2.77Å; S640-L644 PolarHBondContact O-N 3.32Å
641	L	96.9	Very high	94.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67	-39.1	170.8	-67.7	-172.4	0	0	0	112.6	Y637 L638 R639 V643 L644 T645 I670 V673 R674 L760	Y637-L641 HydrophobicContact CD1-CD1 4.13Å; Y637-L641 HydrophobicContact CD1-CG 4.45Å; Y637-L641 HydrophobicContact CE1-CD1 3.47Å; Y637-L641 VanDerWaalsContact CE1-CD1 3.47Å; Y637-L641 HydrophobicContact CE1-CG 4.01Å; Y637-L641 HydrophobicContact CE2-CD2 4.2Å; Y637-L641 HydrophobicContact CE2-CG 4.23Å; Y637-L641 PolarHBondContact O-N 3.15Å; L638-L641 WeakPolarHBondContact O-CB 3.43Å; L638-L641 PolarHBondContact O-N 3.13Å; R639-L641 VanDerWaalsContact C-N 3.31Å; R639-L641 PolarHBondContact O-N 3.13Å; L641-V643 VanDerWaalsContact C-N 3.33Å; L641-V643 PolarHBondContact O-N 3.33Å; L641-L644 PolarHBondContact O-N 3.16Å; L641-T645 PolarHBondContact O-N 3.07Å; L641-T645 PolarHBondContact O-OG1 3.03Å; L641-T645 VanDerWaalsContact O-OG1 3.04Å; L641-I670 HydrophobicContact CD2-CD1 3.86Å; L641-V673 HydrophobicContact CD1-CG1 4.29Å; L641-R674 HydrophobicContact CB-CB 4.46Å; L641-R674 HydrophobicContact CB-CG 3.89Å; L641-R674 HydrophobicContact CD1-CB 4.08Å; L641-R674 HydrophobicContact CD1-CG 4.12Å; L641-L760 HydrophobicContact CD2-CB 4.23Å; L641-L760 HydrophobicContact CD2-CD1 4.12Å
642	Y	96.4	Very high	94.8	Very high	79 Å²	79	35.4 Å²	35.4	31%	0.31	16%	0.158	S	C	.	.	H	α-helix	trans	-61.4	-39.8	172.9	-80.3	-64.5	0	0	0	111.8	L638 R639 T645 E646	L638-Y642 HydrophobicContact CD1-CD2 4.1Å; L638-Y642 HydrophobicContact CD1-CE2 3.73Å; L638-Y642 HydrophobicContact CD2-CE2 3.95Å; L638-Y642 HydrophobicContact CG-CD2 3.89Å; L638-Y642 HydrophobicContact CG-CE2 3.55Å; L638-Y642 WeakPolarHBondContact O-CD2 3.28Å; L638-Y642 PolarHBondContact O-N 2.97Å; R639-Y642 PolarHBondContact O-N 3.07Å; Y642-T645 PolarHBondContact O-N 3.36Å; Y642-T645 PolarHBondContact O-OG1 2.67Å; Y642-E646 HydrophobicContact CD1-CG 4.21Å; Y642-E646 VanDerWaalsContact CD1-OE1 3.27Å; Y642-E646 WeakPolarHBondContact CD1-OE1 3.48Å; Y642-E646 WeakPolarHBondContact O-CB 3.28Å; Y642-E646 PolarHBondContact O-N 3.5Å
643	V	95.9	Very high	95	Very high	17 Å²	17	39 Å²	39	10%	0.103	17%	0.174	C	C	.	.	I	π-helix	trans	-60.5	-45.8	171.5	177.7	0	0	0	0	111.1	L536 R639 S640 L641 T645 H647 F648 F757	L536-V643 HydrophobicContact CD2-CG2 4.02Å; R639-V643 PolarHBondContact O-N 2.69Å; R639-V643 VanDerWaalsContact O-N 3.1Å; S640-V643 PolarHBondContact O-N 2.77Å; L641-V643 VanDerWaalsContact C-N 3.33Å; L641-V643 PolarHBondContact O-N 3.33Å; V643-T645 VanDerWaalsContact C-N 3.32Å; V643-T645 PolarHBondContact O-N 3.46Å; V643-H647 HydrophobicContact CG1-CB 4.26Å; V643-H647 VanDerWaalsContact O-CB 3.3Å; V643-H647 WeakPolarHBondContact O-CB 3.46Å; V643-H647 PolarHBondContact O-N 2.88Å; V643-F648 HydrophobicContact CG1-CD2 4.34Å; V643-F648 HydrophobicContact CG1-CE2 4.07Å; V643-F648 PolarHBondContact O-N 3.14Å; V643-F757 HydrophobicContact CB-CD1 4.23Å; V643-F757 HydrophobicContact CB-CE1 3.79Å; V643-F757 HydrophobicContact CG1-CD1 4.09Å; V643-F757 HydrophobicContact CG1-CE1 3.55Å; V643-F757 HydrophobicContact CG1-CZ 3.83Å
644	L	96.9	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	17%	0.174	C	C	.	.	I	π-helix	trans	-61	-39.6	177	-178.4	53.8	0	0	0	112.7	S640 L641 M649 F667 I670 F754 F757 L758	S640-L644 PolarHBondContact O-N 3.32Å; L641-L644 PolarHBondContact O-N 3.16Å; L644-M649 WeakPolarHBondContact O-CB 3.49Å; L644-M649 PolarHBondContact O-N 3.09Å; L644-F667 HydrophobicContact CD1-CD1 4.19Å; L644-F667 HydrophobicContact CD1-CE1 3.92Å; L644-I670 HydrophobicContact CD2-CD1 3.65Å; L644-I670 HydrophobicContact CD2-CG1 3.66Å; L644-I670 HydrophobicContact CG-CG1 4.27Å; L644-F754 HydrophobicContact CD1-CE2 3.72Å; L644-F754 HydrophobicContact CD1-CZ 4.38Å; L644-F757 HydrophobicContact CB-CB 4.16Å; L644-F757 HydrophobicContact CD1-CB 3.99Å; L644-F757 HydrophobicContact CD2-CB 4.41Å; L644-F757 WeakPolarHBondContact CD2-O 3.12Å; L644-F757 HydrophobicContact CG-CB 4.41Å; L644-L758 HydrophobicContact CD1-CD2 4Å; L644-L758 HydrophobicContact CD2-CD2 4.42Å
645	T	96.8	Very high	95	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.185	C	C	.	.	I	π-helix	trans	-85.1	-50.6	-175.9	55.6	0	0	0	0	113.5	L641 Y642 V643 M649 E650 I670 L671 R674	L641-T645 PolarHBondContact O-N 3.07Å; L641-T645 PolarHBondContact O-OG1 3.03Å; L641-T645 VanDerWaalsContact O-OG1 3.04Å; Y642-T645 PolarHBondContact O-N 3.36Å; Y642-T645 PolarHBondContact O-OG1 2.67Å; V643-T645 VanDerWaalsContact C-N 3.32Å; V643-T645 PolarHBondContact O-N 3.46Å; T645-M649 CarbonylContact O-C 3.5Å; T645-M649 WeakPolarHBondContact O-CA 3.38Å; T645-M649 VanDerWaalsContact O-CB 3.3Å; T645-M649 WeakPolarHBondContact O-CB 3.4Å; T645-M649 PolarHBondContact O-N 2.87Å; T645-E650 WeakPolarHBondContact O-CB 3.18Å; T645-E650 WeakPolarHBondContact O-CG 3.48Å; T645-E650 PolarHBondContact O-N 3Å; T645-I670 HydrophobicContact CG2-CG1 4.3Å; T645-I670 HydrophobicContact CG2-CG2 4.11Å; T645-L671 HydrophobicContact CG2-CD2 3.79Å; T645-R674 PolarHBondContact OG1-NH1 2.88Å
646	E	95.7	Very high	95.1	Very high	111 Å²	111	46.3 Å²	46.3	52%	0.519	21%	0.213	S	C	.	.	I	π-helix	trans	-83.8	-42.3	-172.1	-58.6	-176.7	169.2	0	0	112.1	Y642	Y642-E646 HydrophobicContact CD1-CG 4.21Å; Y642-E646 VanDerWaalsContact CD1-OE1 3.27Å; Y642-E646 WeakPolarHBondContact CD1-OE1 3.48Å; Y642-E646 WeakPolarHBondContact O-CB 3.28Å; Y642-E646 PolarHBondContact O-N 3.5Å
647	H	95.6	Very high	95.3	Very high	24 Å²	24	47 Å²	47	11%	0.111	22%	0.217	C	C	.	.	I	π-helix	trans	-83.1	-32.2	-175.8	-176.2	91.3	0	0	0	113.1	V643 L743 C749	V643-H647 HydrophobicContact CG1-CB 4.26Å; V643-H647 VanDerWaalsContact O-CB 3.3Å; V643-H647 WeakPolarHBondContact O-CB 3.46Å; V643-H647 PolarHBondContact O-N 2.88Å; H647-L743 PolarHBondContact NE2-O 3.39Å; H647-C749 VanDerWaalsContact CD2-SG 3.6Å
648	F	96.3	Very high	95.2	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	22%	0.221	C	C	.	.	I	π-helix	trans	-105.2	-65	175.4	-64.4	-80.1	0	0	0	113.2	V643 E650 N651 L654 F667 I740 L743 Q744 C749 F754 F757	V643-F648 HydrophobicContact CG1-CD2 4.34Å; V643-F648 HydrophobicContact CG1-CE2 4.07Å; V643-F648 PolarHBondContact O-N 3.14Å; F648-E650 VanDerWaalsContact C-N 3.34Å; F648-E650 PolarHBondContact O-N 3.46Å; F648-N651 VanDerWaalsContact O-CB 3.25Å; F648-N651 WeakPolarHBondContact O-CB 3.41Å; F648-N651 PolarHBondContact O-N 2.9Å; F648-N651 VanDerWaalsContact O-N 3.14Å; F648-L654 HydrophobicContact CB-CD2 4.38Å; F648-L654 WeakPolarHBondContact O-CD2 3.31Å; F648-F667 HydrophobicContact CB-CE1 4.4Å; F648-I740 HydrophobicContact CD1-CD1 4.22Å; F648-I740 HydrophobicContact CE1-CD1 4.46Å; F648-L743 HydrophobicContact CD1-CB 4.08Å; F648-L743 HydrophobicContact CD1-CD1 4Å; F648-L743 HydrophobicContact CE1-CB 3.64Å; F648-L743 HydrophobicContact CE1-CD1 4.42Å; F648-L743 HydrophobicContact CZ-CB 4.48Å; F648-Q744 HydrophobicContact CZ-CB 4.36Å; F648-C749 VanDerWaalsContact CE2-SG 3.57Å; F648-C749 WeakPolarHBondContact CZ-SG 3.45Å; F648-F754 HydrophobicContact CB-CD2 4.13Å; F648-F754 HydrophobicContact CB-CE2 3.69Å; F648-F754 AromaticContact CD1-CD2 3.44Å; F648-F754 HydrophobicContact CD1-CD2 3.44Å; F648-F754 VanDerWaalsContact CD1-CD2 3.44Å; F648-F754 AromaticContact CD1-CE2 3.85Å; F648-F754 HydrophobicContact CD1-CE2 3.85Å; F648-F754 HydrophobicContact CD1-CG 4.29Å; F648-F754 AromaticContact CD2-CD2 3.77Å; F648-F754 HydrophobicContact CD2-CD2 3.77Å; F648-F754 HydrophobicContact CD2-CE2 4.09Å; F648-F754 HydrophobicContact CE1-CB 4.08Å; F648-F754 AromaticContact CE1-CD2 3.61Å; F648-F754 HydrophobicContact CE1-CD2 3.61Å; F648-F754 HydrophobicContact CE1-CE2 4.46Å; F648-F754 HydrophobicContact CE1-CG 4.16Å; F648-F754 AromaticContact CE2-CD2 3.91Å; F648-F754 HydrophobicContact CE2-CD2 3.91Å; F648-F754 AromaticContact CG-CD2 3.52Å; F648-F754 HydrophobicContact CG-CD2 3.52Å; F648-F754 AromaticContact CG-CE2 3.63Å; F648-F754 HydrophobicContact CG-CE2 3.63Å; F648-F754 HydrophobicContact CZ-CB 4.16Å; F648-F754 AromaticContact CZ-CD2 3.84Å; F648-F754 HydrophobicContact CZ-CD2 3.84Å; F648-F754 HydrophobicContact CZ-CG 4.46Å; F648-F757 HydrophobicContact CE2-CD2 4.15Å; F648-F757 HydrophobicContact CE2-CE2 4.3Å
649	M	95.8	Very high	95.2	Very high	30 Å²	30	52.2 Å²	52.2	15%	0.148	24%	0.243	C	C	.	.	I	π-helix	trans	-62	-36.4	-169.9	-172.6	-176.5	171	0	0	113.7	L644 T645 R663 F667 I670 L671	L644-M649 WeakPolarHBondContact O-CB 3.49Å; L644-M649 PolarHBondContact O-N 3.09Å; T645-M649 CarbonylContact O-C 3.5Å; T645-M649 WeakPolarHBondContact O-CA 3.38Å; T645-M649 VanDerWaalsContact O-CB 3.3Å; T645-M649 WeakPolarHBondContact O-CB 3.4Å; T645-M649 PolarHBondContact O-N 2.87Å; M649-R663 PolarHBondContact O-NH2 2.86Å; M649-F667 HydrophobicContact CB-CD1 3.7Å; M649-F667 HydrophobicContact CB-CD2 4.39Å; M649-F667 HydrophobicContact CB-CE1 3.61Å; M649-F667 HydrophobicContact CB-CE2 4.32Å; M649-F667 HydrophobicContact CB-CG 4.09Å; M649-F667 HydrophobicContact CB-CZ 3.95Å; M649-F667 HydrophobicContact CE-CB 4.17Å; M649-F667 HydrophobicContact CG-CB 4.17Å; M649-F667 HydrophobicContact CG-CD1 3.8Å; M649-F667 HydrophobicContact CG-CD2 3.87Å; M649-F667 HydrophobicContact CG-CE1 4.12Å; M649-F667 HydrophobicContact CG-CE2 4.18Å; M649-F667 HydrophobicContact CG-CG 3.67Å; M649-F667 HydrophobicContact CG-CZ 4.31Å; M649-F667 HydrophobicContact SD-CB 3.87Å; M649-F667 HydrophobicContact SD-CD1 4.21Å; M649-F667 HydrophobicContact SD-CG 4.01Å; M649-I670 HydrophobicContact SD-CG2 3.6Å; M649-L671 HydrophobicContact CE-CD1 3.83Å; M649-L671 HydrophobicContact CE-CG 4.05Å; M649-L671 HydrophobicContact SD-CD1 4.41Å; M649-L671 HydrophobicContact SD-CD2 4.11Å; M649-L671 HydrophobicContact SD-CG 4.05Å
650	E	95.7	Very high	95.2	Very high	108 Å²	108	55 Å²	55	51%	0.505	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.9	-179.7	-69	177.9	-151.4	0	0	113.5	T645 F648 R652	T645-E650 WeakPolarHBondContact O-CB 3.18Å; T645-E650 WeakPolarHBondContact O-CG 3.48Å; T645-E650 PolarHBondContact O-N 3Å; F648-E650 VanDerWaalsContact C-N 3.34Å; F648-E650 PolarHBondContact O-N 3.46Å; E650-R652 PolarHBondContact O-N 2.99Å
651	N	95.9	Very high	95.2	Very high	30 Å²	30	58.1 Å²	58.1	16%	0.16	28%	0.284	C	S	.	.			trans	-62.9	131.7	176.8	-169.1	-74.3	0	0	0	111.3	F648 E653 L654 T655 L743	F648-N651 VanDerWaalsContact O-CB 3.25Å; F648-N651 WeakPolarHBondContact O-CB 3.41Å; F648-N651 PolarHBondContact O-N 2.9Å; F648-N651 VanDerWaalsContact O-N 3.14Å; N651-E653 PolarHBondContact OD1-N 2.67Å; N651-L654 HydrophobicContact CB-CB 3.94Å; N651-L654 PolarHBondContact OD1-N 3.21Å; N651-T655 WeakPolarHBondContact O-CB 3.31Å; N651-T655 PolarHBondContact O-N 3.31Å; N651-T655 PolarHBondContact O-OG1 3.3Å; N651-L743 HydrophobicContact CB-CD1 4.26Å
652	R	94.9	Very high	95.1	Very high	207 Å²	207	59.3 Å²	59.3	78%	0.781	29%	0.29	S	S	*	.	H	α-helix	trans	-72.2	-48.4	-177.4	-66.7	-170.9	179.6	-152.3	0.4	112.8	E650 L654 T655 D656	E650-R652 PolarHBondContact O-N 2.99Å; R652-L654 VanDerWaalsContact C-N 3.28Å; R652-L654 PolarHBondContact O-N 3.36Å; R652-T655 WeakPolarHBondContact O-CA 3.33Å; R652-T655 VanDerWaalsContact O-CB 3.31Å; R652-T655 WeakPolarHBondContact O-CB 3.25Å; R652-T655 PolarHBondContact O-N 3.17Å; R652-T655 VanDerWaalsContact O-N 3.12Å; R652-D656 VanDerWaalsContact O-CG 3.22Å; R652-D656 PolarHBondContact O-N 2.88Å
653	E	94	Very high	95.1	Very high	93 Å²	93	58.8 Å²	58.8	44%	0.435	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-41.8	178.1	-65.6	171.4	-102.4	0	0	110.6	N651 D656 T657 V739 R742	N651-E653 PolarHBondContact OD1-N 2.67Å; E653-D656 PolarHBondContact O-N 3.05Å; E653-T657 WeakPolarHBondContact O-CG2 3.44Å; E653-T657 PolarHBondContact O-N 3.18Å; E653-V739 HydrophobicContact CB-CG1 4.2Å; E653-V739 HydrophobicContact CB-CG2 4.18Å; E653-R742 IonicContact OE1-CZ 3.42Å; E653-R742 IonicContact OE1-NH1 2.74Å; E653-R742 IonicContact OE1-NH2 3.4Å; E653-R742 PolarHBondContact OE1-NH2 2.96Å; E653-R742 IonicContact OE2-CZ 2.71Å; E653-R742 IonicContact OE2-NH1 2.75Å; E653-R742 PolarHBondContact OE2-NH1 3.32Å; E653-R742 IonicContact OE2-NH2 3.74Å; E653-R742 PolarHBondContact OE2-NH2 3.01Å; E653-R742 VanDerWaalsContact OE2-NH2 3.08Å
654	L	92.9	Very high	95	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-66	-43.1	175	-164.7	70	0	0	0	111.7	F648 N651 R652 D656 T657 F667 F736 V739 I740 L743	F648-L654 HydrophobicContact CB-CD2 4.38Å; F648-L654 WeakPolarHBondContact O-CD2 3.31Å; N651-L654 HydrophobicContact CB-CB 3.94Å; N651-L654 PolarHBondContact OD1-N 3.21Å; R652-L654 VanDerWaalsContact C-N 3.28Å; R652-L654 PolarHBondContact O-N 3.36Å; L654-D656 VanDerWaalsContact C-N 3.31Å; L654-D656 PolarHBondContact O-N 2.82Å; L654-T657 PolarHBondContact O-N 3.46Å; L654-T657 PolarHBondContact O-OG1 3.41Å; L654-F667 HydrophobicContact CD2-CZ 4.32Å; L654-F736 HydrophobicContact CD1-CD2 3.53Å; L654-F736 HydrophobicContact CD1-CE2 3.63Å; L654-F736 HydrophobicContact CD1-CG 4.49Å; L654-F736 HydrophobicContact CG-CD2 4.42Å; L654-F736 HydrophobicContact CG-CE2 4.3Å; L654-V739 HydrophobicContact CB-CG1 3.95Å; L654-V739 HydrophobicContact CD1-CB 4.21Å; L654-V739 HydrophobicContact CD1-CG1 3.85Å; L654-I740 HydrophobicContact CD1-CD1 3.59Å; L654-I740 HydrophobicContact CD1-CG1 3.76Å; L654-I740 HydrophobicContact CD2-CD1 3.87Å; L654-I740 HydrophobicContact CG-CD1 4.41Å; L654-L743 HydrophobicContact CB-CD1 4.39Å; L654-L743 HydrophobicContact CD2-CD1 4.5Å
655	T	93.7	Very high	95	Very high	36 Å²	36	67.4 Å²	67.4	22%	0.221	33%	0.328	C	S	.	.	H	α-helix	trans	-53.4	-46.5	174.4	-73.8	0	0	0	0	112	N651 R652 T657 I658 R663	N651-T655 WeakPolarHBondContact O-CB 3.31Å; N651-T655 PolarHBondContact O-N 3.31Å; N651-T655 PolarHBondContact O-OG1 3.3Å; R652-T655 WeakPolarHBondContact O-CA 3.33Å; R652-T655 VanDerWaalsContact O-CB 3.31Å; R652-T655 WeakPolarHBondContact O-CB 3.25Å; R652-T655 PolarHBondContact O-N 3.17Å; R652-T655 VanDerWaalsContact O-N 3.12Å; T655-T657 VanDerWaalsContact C-N 3.26Å; T655-T657 PolarHBondContact O-N 2.96Å; T655-I658 PolarHBondContact O-N 3.2Å; T655-R663 PolarHBondContact OG1-NH1 3.19Å; T655-R663 PolarHBondContact OG1-NH2 3.45Å; T655-R663 VanDerWaalsContact OG1-NH2 3.17Å
656	D	93.8	Very high	94.9	Very high	136 Å²	136	67.4 Å²	67.4	73%	0.727	33%	0.328	S	S	*	.	H	α-helix	trans	-75.4	-16.1	-173	-63.3	-24.6	0	0	0	112.4	R652 E653 L654	R652-D656 VanDerWaalsContact O-CG 3.22Å; R652-D656 PolarHBondContact O-N 2.88Å; E653-D656 PolarHBondContact O-N 3.05Å; L654-D656 VanDerWaalsContact C-N 3.31Å; L654-D656 PolarHBondContact O-N 2.82Å
657	T	93.8	Very high	95	Very high	29 Å²	29	62.2 Å²	62.2	18%	0.178	30%	0.304	C	S	.	.	H	α-helix	trans	-84.2	-12.9	174.9	60.6	0	0	0	0	115	E653 L654 T655 N733 Q735 V739	E653-T657 WeakPolarHBondContact O-CG2 3.44Å; E653-T657 PolarHBondContact O-N 3.18Å; L654-T657 PolarHBondContact O-N 3.46Å; L654-T657 PolarHBondContact O-OG1 3.41Å; T655-T657 VanDerWaalsContact C-N 3.26Å; T655-T657 PolarHBondContact O-N 2.96Å; T657-N733 PolarHBondContact O-ND2 3.07Å; T657-Q735 HydrophobicContact CG2-CB 3.68Å; T657-V739 HydrophobicContact CG2-CG2 4.4Å
658	I	94.6	Very high	95	Very high	19 Å²	19	62.5 Å²	62.5	10%	0.097	31%	0.308	C	S	.	.	S	Bend	trans	-126.6	142.5	-170.8	61.3	-176.6	0	0	0	114.3	T655 R663 F667 L729 F736	T655-I658 PolarHBondContact O-N 3.2Å; I658-R663 HydrophobicContact CD1-CB 3.68Å; I658-R663 HydrophobicContact CD1-CG 3.82Å; I658-R663 HydrophobicContact CG1-CB 4.06Å; I658-R663 HydrophobicContact CG1-CG 4.49Å; I658-F667 HydrophobicContact CD1-CE2 4.48Å; I658-L729 HydrophobicContact CG2-CD1 4.05Å; I658-L729 HydrophobicContact CG2-CD2 4.36Å; I658-F736 HydrophobicContact CG2-CB 4.47Å; I658-F736 HydrophobicContact CG2-CD2 3.32Å; I658-F736 HydrophobicContact CG2-CE2 3.76Å; I658-F736 HydrophobicContact CG2-CG 4.14Å
659	I	95	Very high	95	Very high	103 Å²	103	64 Å²	64	53%	0.528	32%	0.316	S	S	.	.			trans	-72.3	152.5	175.4	61.8	175.2	0	0	0	111.9	S661 D662 R663	I659-S661 VanDerWaalsContact CD1-OG 3.26Å; I659-S661 WeakPolarHBondContact CD1-OG 3.44Å; I659-S661 WeakPolarHBondContact CG1-OG 3.39Å; I659-S661 PolarHBondContact O-N 3.2Å; I659-D662 WeakPolarHBondContact CD1-OD2 3.46Å; I659-D662 HydrophobicContact CG1-CB 3.86Å; I659-D662 WeakPolarHBondContact CG1-OD2 3.36Å; I659-D662 PolarHBondContact O-N 3.32Å; I659-D662 VanDerWaalsContact O-N 3.15Å; I659-R663 PolarHBondContact O-N 3.38Å
660	I	94.1	Very high	95.1	Very high	131 Å²	131	62.6 Å²	62.6	67%	0.672	31%	0.309	S	S	*	.	H	α-helix	trans	-58.9	-33.6	-173.6	-59.6	175.5	0	0	0	112.5	K664	I660-K664 HydrophobicContact CG2-CD 4.33Å; I660-K664 WeakPolarHBondContact O-CB 3.36Å; I660-K664 VanDerWaalsContact O-CG 3.28Å; I660-K664 WeakPolarHBondContact O-CG 3.28Å; I660-K664 PolarHBondContact O-N 2.93Å; I660-K664 VanDerWaalsContact O-N 3.11Å
661	S	94.6	Very high	95.2	Very high	65 Å²	65	61.2 Å²	61.2	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-66.7	-52.6	175	44.8	0	0	0	0	111.8	I659 R663 K664 T665	I659-S661 VanDerWaalsContact CD1-OG 3.26Å; I659-S661 WeakPolarHBondContact CD1-OG 3.44Å; I659-S661 WeakPolarHBondContact CG1-OG 3.39Å; I659-S661 PolarHBondContact O-N 3.2Å; S661-R663 VanDerWaalsContact C-N 3.31Å; S661-R663 PolarHBondContact O-N 3.07Å; S661-K664 WeakPolarHBondContact O-CB 3.36Å; S661-K664 PolarHBondContact O-N 2.97Å; S661-K664 VanDerWaalsContact O-N 3.13Å; S661-T665 PolarHBondContact O-N 3.15Å; S661-T665 PolarHBondContact O-OG1 2.73Å; S661-T665 VanDerWaalsContact O-OG1 3.1Å
662	D	95.3	Very high	95.2	Very high	24 Å²	24	64.1 Å²	64.1	13%	0.128	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-38.3	179.5	-75.2	-28.7	0	0	0	111.6	I659 T665 L666 T725 R728 L729	I659-D662 WeakPolarHBondContact CD1-OD2 3.46Å; I659-D662 HydrophobicContact CG1-CB 3.86Å; I659-D662 WeakPolarHBondContact CG1-OD2 3.36Å; I659-D662 PolarHBondContact O-N 3.32Å; I659-D662 VanDerWaalsContact O-N 3.15Å; D662-T665 PolarHBondContact O-N 3.17Å; D662-L666 WeakPolarHBondContact O-CB 3.4Å; D662-L666 PolarHBondContact O-N 3.46Å; D662-T725 HydrophobicContact CB-CG2 3.95Å; D662-R728 IonicContact OD1-CZ 3.02Å; D662-R728 IonicContact OD1-NH2 2.67Å; D662-R728 PolarHBondContact OD1-NH2 3.15Å; D662-L729 HydrophobicContact CB-CD1 4.28Å
663	R	95.1	Very high	95.4	Very high	68 Å²	68	54.3 Å²	54.3	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-43.8	172.9	-172.1	175.8	179.1	176.1	3.2	112.5	M649 T655 I658 I659 S661 F667	M649-R663 PolarHBondContact O-NH2 2.86Å; T655-R663 PolarHBondContact OG1-NH1 3.19Å; T655-R663 PolarHBondContact OG1-NH2 3.45Å; T655-R663 VanDerWaalsContact OG1-NH2 3.17Å; I658-R663 HydrophobicContact CD1-CB 3.68Å; I658-R663 HydrophobicContact CD1-CG 3.82Å; I658-R663 HydrophobicContact CG1-CB 4.06Å; I658-R663 HydrophobicContact CG1-CG 4.49Å; I659-R663 PolarHBondContact O-N 3.38Å; S661-R663 VanDerWaalsContact C-N 3.31Å; S661-R663 PolarHBondContact O-N 3.07Å; R663-F667 HydrophobicContact CG-CD2 3.92Å; R663-F667 HydrophobicContact CG-CE2 4.26Å; R663-F667 WeakPolarHBondContact O-CD2 3.49Å; R663-F667 PolarHBondContact O-N 3.12Å; R663-F667 VanDerWaalsContact O-N 3.13Å
664	K	95.1	Very high	95.6	Very high	153 Å²	153	51.8 Å²	51.8	67%	0.665	27%	0.266	S	S	*	.	H	α-helix	trans	-63.9	-41.4	176.5	-78.8	174.7	176.5	-175.5	0	111.6	I660 S661 S668	I660-K664 HydrophobicContact CG2-CD 4.33Å; I660-K664 WeakPolarHBondContact O-CB 3.36Å; I660-K664 VanDerWaalsContact O-CG 3.28Å; I660-K664 WeakPolarHBondContact O-CG 3.28Å; I660-K664 PolarHBondContact O-N 2.93Å; I660-K664 VanDerWaalsContact O-N 3.11Å; S661-K664 WeakPolarHBondContact O-CB 3.36Å; S661-K664 PolarHBondContact O-N 2.97Å; S661-K664 VanDerWaalsContact O-N 3.13Å; K664-S668 VanDerWaalsContact O-CA 3.29Å; K664-S668 WeakPolarHBondContact O-CA 3.48Å; K664-S668 PolarHBondContact O-N 2.66Å
665	T	95.3	Very high	95.8	Very high	46 Å²	46	55.6 Å²	55.6	28%	0.282	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-54.5	175.2	-54.1	0	0	0	0	110.4	S661 D662 F667 S668 Y721 Q722 T725	S661-T665 PolarHBondContact O-N 3.15Å; S661-T665 PolarHBondContact O-OG1 2.73Å; S661-T665 VanDerWaalsContact O-OG1 3.1Å; D662-T665 PolarHBondContact O-N 3.17Å; T665-F667 PolarHBondContact O-N 3.2Å; T665-S668 PolarHBondContact O-N 2.93Å; T665-Y721 WeakPolarHBondContact CG2-O 3.19Å; T665-Q722 VanDerWaalsContact O-CG 3.27Å; T665-Q722 WeakPolarHBondContact O-CG 3.19Å; T665-T725 WeakPolarHBondContact CG2-OG1 3.31Å
666	L	96.1	Very high	96	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-41.1	-173.1	-173.9	65	0	0	0	113.4	D662 Q722 T725 F736 F754 L758	D662-L666 WeakPolarHBondContact O-CB 3.4Å; D662-L666 PolarHBondContact O-N 3.46Å; L666-Q722 WeakPolarHBondContact O-CG 3.23Å; L666-Q722 PolarHBondContact O-NE2 2.87Å; L666-T725 HydrophobicContact CB-CG2 4.43Å; L666-F736 HydrophobicContact CD2-CE2 4.11Å; L666-F736 HydrophobicContact CD2-CZ 3.97Å; L666-F754 HydrophobicContact CD1-CE1 4.24Å; L666-F754 HydrophobicContact CD2-CE1 4.2Å; L666-F754 HydrophobicContact CD2-CZ 4.3Å; L666-F754 HydrophobicContact CG-CE1 4.41Å; L666-F754 HydrophobicContact CG-CZ 4.46Å; L666-L758 HydrophobicContact CD1-CD1 3.82Å; L666-L758 WeakPolarHBondContact O-CD2 3.47Å
667	F	96.6	Very high	96.2	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-99.6	-9.4	-179.6	-64.3	-76.8	0	0	0	114.1	L644 F648 M649 L654 I658 R663 T665 N669 I670 F754	L644-F667 HydrophobicContact CD1-CD1 4.19Å; L644-F667 HydrophobicContact CD1-CE1 3.92Å; F648-F667 HydrophobicContact CB-CE1 4.4Å; M649-F667 HydrophobicContact CB-CD1 3.7Å; M649-F667 HydrophobicContact CB-CD2 4.39Å; M649-F667 HydrophobicContact CB-CE1 3.61Å; M649-F667 HydrophobicContact CB-CE2 4.32Å; M649-F667 HydrophobicContact CB-CG 4.09Å; M649-F667 HydrophobicContact CB-CZ 3.95Å; M649-F667 HydrophobicContact CE-CB 4.17Å; M649-F667 HydrophobicContact CG-CB 4.17Å; M649-F667 HydrophobicContact CG-CD1 3.8Å; M649-F667 HydrophobicContact CG-CD2 3.87Å; M649-F667 HydrophobicContact CG-CE1 4.12Å; M649-F667 HydrophobicContact CG-CE2 4.18Å; M649-F667 HydrophobicContact CG-CG 3.67Å; M649-F667 HydrophobicContact CG-CZ 4.31Å; M649-F667 HydrophobicContact SD-CB 3.87Å; M649-F667 HydrophobicContact SD-CD1 4.21Å; M649-F667 HydrophobicContact SD-CG 4.01Å; L654-F667 HydrophobicContact CD2-CZ 4.32Å; I658-F667 HydrophobicContact CD1-CE2 4.48Å; R663-F667 HydrophobicContact CG-CD2 3.92Å; R663-F667 HydrophobicContact CG-CE2 4.26Å; R663-F667 WeakPolarHBondContact O-CD2 3.49Å; R663-F667 PolarHBondContact O-N 3.12Å; R663-F667 VanDerWaalsContact O-N 3.13Å; T665-F667 PolarHBondContact O-N 3.2Å; F667-N669 PolarHBondContact O-N 3.49Å; F667-I670 HydrophobicContact CB-CG2 4.09Å; F667-I670 VanDerWaalsContact O-CB 3.25Å; F667-I670 WeakPolarHBondContact O-CB 3.1Å; F667-I670 VanDerWaalsContact O-CG2 3.31Å; F667-I670 WeakPolarHBondContact O-CG2 3.44Å; F667-I670 PolarHBondContact O-N 3.12Å; F667-I670 VanDerWaalsContact O-N 3.07Å; F667-F754 HydrophobicContact CE1-CE2 4.03Å; F667-F754 AromaticContact CE1-CZ 3.82Å; F667-F754 HydrophobicContact CE1-CZ 3.82Å; F667-F754 HydrophobicContact CZ-CE2 4.33Å; F667-F754 AromaticContact CZ-CZ 3.94Å; F667-F754 HydrophobicContact CZ-CZ 3.94Å
668	S	95.9	Very high	96.4	Very high	30 Å²	30	48.9 Å²	48.9	21%	0.21	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	-134.1	178.8	-169.8	0	0	0	0	111.8	K664 T665 N718	K664-S668 VanDerWaalsContact O-CA 3.29Å; K664-S668 WeakPolarHBondContact O-CA 3.48Å; K664-S668 PolarHBondContact O-N 2.66Å; T665-S668 PolarHBondContact O-N 2.93Å; S668-N718 PolarHBondContact OG-ND2 2.87Å
669	N	96.4	Very high	96.5	Very high	33 Å²	33	52.6 Å²	52.6	18%	0.176	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	26.4	175.3	68.1	-32.8	0	0	0	113.7	F667 L671 K672 V673 T711 D714 Y715	F667-N669 PolarHBondContact O-N 3.49Å; N669-L671 PolarHBondContact O-N 3.04Å; N669-K672 WeakPolarHBondContact O-CB 3.43Å; N669-K672 PolarHBondContact O-N 3.27Å; N669-V673 PolarHBondContact O-N 3.13Å; N669-T711 PolarHBondContact ND2-O 2.89Å; N669-T711 VanDerWaalsContact ND2-O 3.14Å; N669-D714 VanDerWaalsContact ND2-CB 3.3Å; N669-D714 WeakPolarHBondContact ND2-CB 3.35Å; N669-Y715 WeakPolarHBondContact OD1-CA 3.31Å; N669-Y715 WeakPolarHBondContact OD1-CB 3.34Å; N669-Y715 WeakPolarHBondContact OD1-CD2 3.49Å; N669-Y715 PolarHBondContact OD1-N 3.05Å
670	I	97.7	Very high	96.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-51.5	-36.6	-172.1	-166.5	66.9	0	0	0	114.3	L641 L644 T645 M649 F667 K672 V673 R674 Y715 P761	L641-I670 HydrophobicContact CD2-CD1 3.86Å; L644-I670 HydrophobicContact CD2-CD1 3.65Å; L644-I670 HydrophobicContact CD2-CG1 3.66Å; L644-I670 HydrophobicContact CG-CG1 4.27Å; T645-I670 HydrophobicContact CG2-CG1 4.3Å; T645-I670 HydrophobicContact CG2-CG2 4.11Å; M649-I670 HydrophobicContact SD-CG2 3.6Å; F667-I670 HydrophobicContact CB-CG2 4.09Å; F667-I670 VanDerWaalsContact O-CB 3.25Å; F667-I670 WeakPolarHBondContact O-CB 3.1Å; F667-I670 VanDerWaalsContact O-CG2 3.31Å; F667-I670 WeakPolarHBondContact O-CG2 3.44Å; F667-I670 PolarHBondContact O-N 3.12Å; F667-I670 VanDerWaalsContact O-N 3.07Å; I670-K672 PolarHBondContact O-N 3.11Å; I670-V673 HydrophobicContact CD1-CB 4.39Å; I670-V673 WeakPolarHBondContact O-CA 3.39Å; I670-V673 WeakPolarHBondContact O-CB 3.43Å; I670-V673 PolarHBondContact O-N 3.41Å; I670-R674 PolarHBondContact O-N 3.42Å; I670-Y715 HydrophobicContact CB-CD2 4.45Å; I670-Y715 HydrophobicContact CB-CE2 3.92Å; I670-Y715 HydrophobicContact CD1-CD2 4.2Å; I670-Y715 HydrophobicContact CD1-CE2 3.62Å; I670-Y715 HydrophobicContact CG1-CE2 4.33Å; I670-P761 HydrophobicContact CD1-CG 3.77Å
671	L	97.6	Very high	96.7	Very high	79 Å²	79	42 Å²	42	41%	0.414	20%	0.202	S	C	.	.	H	α-helix	trans	-59.6	-35.5	177.9	-64.7	176.6	0	0	0	112.3	T645 M649 N669 R674 E675	T645-L671 HydrophobicContact CG2-CD2 3.79Å; M649-L671 HydrophobicContact CE-CD1 3.83Å; M649-L671 HydrophobicContact CE-CG 4.05Å; M649-L671 HydrophobicContact SD-CD1 4.41Å; M649-L671 HydrophobicContact SD-CD2 4.11Å; M649-L671 HydrophobicContact SD-CG 4.05Å; N669-L671 PolarHBondContact O-N 3.04Å; L671-R674 PolarHBondContact O-N 2.98Å; L671-E675 VanDerWaalsContact O-CB 3.31Å; L671-E675 WeakPolarHBondContact O-CB 3.07Å; L671-E675 PolarHBondContact O-N 2.76Å
672	K	97.8	Very high	96.8	Very high	91 Å²	91	43.4 Å²	43.4	40%	0.396	20%	0.2	S	C	.	.	H	α-helix	trans	-74.6	-31.9	176	-164.1	-171.5	168.1	-137.2	0	111.5	N669 I670 V676 T711 D714	N669-K672 WeakPolarHBondContact O-CB 3.43Å; N669-K672 PolarHBondContact O-N 3.27Å; I670-K672 PolarHBondContact O-N 3.11Å; K672-V676 WeakPolarHBondContact O-CB 3.43Å; K672-V676 VanDerWaalsContact O-CG2 3.31Å; K672-V676 WeakPolarHBondContact O-CG2 3.26Å; K672-V676 PolarHBondContact O-N 3.43Å; K672-T711 HydrophobicContact CB-CG2 3.84Å; K672-T711 HydrophobicContact CD-CG2 3.71Å; K672-T711 VanDerWaalsContact CE-OG1 3.28Å; K672-T711 WeakPolarHBondContact CE-OG1 3.45Å; K672-T711 HydrophobicContact CG-CG2 3.65Å; K672-T711 PolarHBondContact NZ-OG1 2.88Å; K672-D714 IonicContact NZ-OD2 3.08Å
673	V	98.1	Very high	96.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-44.3	171.3	-177.8	0	0	0	0	110.1	Y637 L641 N669 I670 V676 S677 T711 Y712 Y715 P761	Y637-V673 WeakPolarHBondContact OH-CG1 3.42Å; L641-V673 HydrophobicContact CD1-CG1 4.29Å; N669-V673 PolarHBondContact O-N 3.13Å; I670-V673 HydrophobicContact CD1-CB 4.39Å; I670-V673 WeakPolarHBondContact O-CA 3.39Å; I670-V673 WeakPolarHBondContact O-CB 3.43Å; I670-V673 PolarHBondContact O-N 3.41Å; V673-V676 PolarHBondContact O-N 3.48Å; V673-S677 PolarHBondContact O-N 3.48Å; V673-T711 HydrophobicContact CG2-CG2 3.95Å; V673-Y712 HydrophobicContact CG1-CD1 4.18Å; V673-Y712 HydrophobicContact CG1-CE1 3.64Å; V673-Y715 HydrophobicContact CG2-CD2 4.16Å; V673-Y715 HydrophobicContact CG2-CG 4.28Å; V673-P761 HydrophobicContact CG1-CB 4.13Å; V673-P761 HydrophobicContact CG1-CG 4.12Å
674	R	97.9	Very high	96.7	Very high	41 Å²	41	41.3 Å²	41.3	16%	0.155	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-49.6	175.3	-157.8	-172	76.8	-163.4	5.1	111.4	L638 L641 T645 I670 L671 V676 S677 E678	L638-R674 HydrophobicContact CD1-CG 3.59Å; L641-R674 HydrophobicContact CB-CB 4.46Å; L641-R674 HydrophobicContact CB-CG 3.89Å; L641-R674 HydrophobicContact CD1-CB 4.08Å; L641-R674 HydrophobicContact CD1-CG 4.12Å; T645-R674 PolarHBondContact OG1-NH1 2.88Å; I670-R674 PolarHBondContact O-N 3.42Å; L671-R674 PolarHBondContact O-N 2.98Å; R674-V676 PolarHBondContact O-N 2.05Å; R674-S677 CarbonylContact O-C 3.59Å; R674-S677 WeakPolarHBondContact O-CB 3.44Å; R674-S677 PolarHBondContact O-N 3.39Å; R674-E678 WeakPolarHBondContact CG-OE1 3.49Å; R674-E678 IonicContact CZ-OE1 3.36Å; R674-E678 IonicContact NE-OE1 3.64Å; R674-E678 PolarHBondContact NE-OE1 3.05Å; R674-E678 IonicContact NH2-OE1 3.63Å; R674-E678 PolarHBondContact NH2-OE1 3.36Å; R674-E678 WeakPolarHBondContact O-CB 3.26Å; R674-E678 VanDerWaalsContact O-CG 3.26Å; R674-E678 WeakPolarHBondContact O-CG 3.4Å; R674-E678 PolarHBondContact O-N 3.44Å
675	E	97.9	Very high	96.5	Very high	82 Å²	82	34.8 Å²	34.8	38%	0.383	17%	0.166	S	C	.	.	H	α-helix	trans	-62.2	-23.7	177.4	-162.6	-140.8	-158.4	0	0	113.4	L671 R679	L671-E675 VanDerWaalsContact O-CB 3.31Å; L671-E675 WeakPolarHBondContact O-CB 3.07Å; L671-E675 PolarHBondContact O-N 2.76Å; E675-R679 VanDerWaalsContact CD-CZ 3.44Å; E675-R679 WeakPolarHBondContact O-CG 3.39Å; E675-R679 PolarHBondContact O-NH1 2.89Å; E675-R679 IonicContact OE1-CZ 2.74Å; E675-R679 IonicContact OE1-NH1 2.7Å; E675-R679 IonicContact OE1-NH2 3.34Å; E675-R679 PolarHBondContact OE1-NH2 2.98Å; E675-R679 IonicContact OE2-CZ 2.77Å; E675-R679 IonicContact OE2-NH1 2.74Å; E675-R679 PolarHBondContact OE2-NH1 3.46Å; E675-R679 IonicContact OE2-NH2 3.49Å; E675-R679 PolarHBondContact OE2-NH2 3.35Å
676	V	97.9	Very high	96.2	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.024	18%	0.177	C	C	.	.	H	α-helix	trans	-78.4	-44.6	170	161.1	0	0	0	0	111.5	K672 V673 R674 R679 F680 N708 F709 Y712	K672-V676 WeakPolarHBondContact O-CB 3.43Å; K672-V676 VanDerWaalsContact O-CG2 3.31Å; K672-V676 WeakPolarHBondContact O-CG2 3.26Å; K672-V676 PolarHBondContact O-N 3.43Å; V673-V676 PolarHBondContact O-N 3.48Å; R674-V676 PolarHBondContact O-N 2.05Å; V676-R679 PolarHBondContact O-N 3.42Å; V676-F680 PolarHBondContact O-N 3.1Å; V676-N708 HydrophobicContact CG1-CB 3.85Å; V676-N708 HydrophobicContact CG2-CB 4.12Å; V676-F709 HydrophobicContact CG1-CD1 3.78Å; V676-F709 HydrophobicContact CG1-CE1 4.12Å; V676-Y712 HydrophobicContact CG1-CE2 4.49Å
677	S	97.3	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-41.8	175.7	179.3	0	0	0	0	112.4	E634 Y637 V673 R674 R679 F680 L681	E634-S677 WeakPolarHBondContact OE1-CA 3.5Å; E634-S677 VanDerWaalsContact OE1-CB 3.29Å; E634-S677 WeakPolarHBondContact OE1-CB 3.5Å; E634-S677 PolarHBondContact OE1-OG 2.98Å; Y637-S677 WeakPolarHBondContact CD1-OG 3.34Å; V673-S677 PolarHBondContact O-N 3.48Å; R674-S677 CarbonylContact O-C 3.59Å; R674-S677 WeakPolarHBondContact O-CB 3.44Å; R674-S677 PolarHBondContact O-N 3.39Å; S677-R679 VanDerWaalsContact C-N 3.34Å; S677-R679 PolarHBondContact O-N 3.07Å; S677-F680 PolarHBondContact O-N 3.1Å; S677-L681 WeakPolarHBondContact O-CB 3.25Å; S677-L681 PolarHBondContact O-N 3.25Å
678	E	97.4	Very high	95.2	Very high	55 Å²	55	39.1 Å²	39.1	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-54.8	-45.2	173.7	-73.2	165.2	-156.1	0	0	112.1	L638 R674 K682	L638-E678 HydrophobicContact CD1-CG 3.77Å; L638-E678 HydrophobicContact CD2-CG 4.07Å; R674-E678 WeakPolarHBondContact CG-OE1 3.49Å; R674-E678 IonicContact CZ-OE1 3.36Å; R674-E678 IonicContact NE-OE1 3.64Å; R674-E678 PolarHBondContact NE-OE1 3.05Å; R674-E678 IonicContact NH2-OE1 3.63Å; R674-E678 PolarHBondContact NH2-OE1 3.36Å; R674-E678 WeakPolarHBondContact O-CB 3.26Å; R674-E678 VanDerWaalsContact O-CG 3.26Å; R674-E678 WeakPolarHBondContact O-CG 3.4Å; R674-E678 PolarHBondContact O-N 3.44Å; E678-K682 WeakPolarHBondContact O-CB 3.32Å; E678-K682 PolarHBondContact O-N 3.35Å; E678-K682 VanDerWaalsContact O-N 3.11Å
679	R	97.7	Very high	94.5	Very high	97 Å²	97	39 Å²	39	37%	0.366	18%	0.178	S	C	.	.	H	α-helix	trans	-69.7	-48.2	177.1	-69.2	-179.9	-172.4	99.8	-6.9	112.1	E675 V676 S677 L681 K682 D683	E675-R679 VanDerWaalsContact CD-CZ 3.44Å; E675-R679 WeakPolarHBondContact O-CG 3.39Å; E675-R679 PolarHBondContact O-NH1 2.89Å; E675-R679 IonicContact OE1-CZ 2.74Å; E675-R679 IonicContact OE1-NH1 2.7Å; E675-R679 IonicContact OE1-NH2 3.34Å; E675-R679 PolarHBondContact OE1-NH2 2.98Å; E675-R679 IonicContact OE2-CZ 2.77Å; E675-R679 IonicContact OE2-NH1 2.74Å; E675-R679 PolarHBondContact OE2-NH1 3.46Å; E675-R679 IonicContact OE2-NH2 3.49Å; E675-R679 PolarHBondContact OE2-NH2 3.35Å; V676-R679 PolarHBondContact O-N 3.42Å; S677-R679 VanDerWaalsContact C-N 3.34Å; S677-R679 PolarHBondContact O-N 3.07Å; R679-L681 VanDerWaalsContact C-N 3.32Å; R679-L681 PolarHBondContact O-N 2.94Å; R679-K682 WeakPolarHBondContact O-CB 3.38Å; R679-K682 PolarHBondContact O-N 3.07Å; R679-K682 VanDerWaalsContact O-N 3.15Å; R679-D683 VanDerWaalsContact O-CG 3.25Å; R679-D683 PolarHBondContact O-N 3.37Å
680	F	97.7	Very high	93.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.4	-42.8	-179.2	175.9	-132.4	0	0	0	111.5	V630 E634 V676 S677 D683 L684 I700 L701 H704 F709	V630-F680 HydrophobicContact CG1-CE1 4.43Å; V630-F680 HydrophobicContact CG1-CZ 3.94Å; E634-F680 VanDerWaalsContact CD-CD1 3.42Å; E634-F680 HydrophobicContact CG-CD1 3.75Å; E634-F680 HydrophobicContact CG-CE1 4.05Å; E634-F680 WeakPolarHBondContact OE2-CE1 3.4Å; V676-F680 PolarHBondContact O-N 3.1Å; S677-F680 PolarHBondContact O-N 3.1Å; F680-D683 PolarHBondContact O-N 3.24Å; F680-L684 HydrophobicContact CD1-CD1 4.47Å; F680-L684 HydrophobicContact CD2-CD1 4.22Å; F680-L684 HydrophobicContact CD2-CG 4.15Å; F680-L684 HydrophobicContact CE1-CD1 4.02Å; F680-L684 HydrophobicContact CE2-CD1 3.73Å; F680-L684 HydrophobicContact CE2-CD2 4.05Å; F680-L684 HydrophobicContact CE2-CG 3.79Å; F680-L684 HydrophobicContact CZ-CD1 3.61Å; F680-L684 HydrophobicContact CZ-CD2 4.46Å; F680-L684 HydrophobicContact CZ-CG 4.19Å; F680-L684 WeakPolarHBondContact O-CB 3.36Å; F680-L684 VanDerWaalsContact O-CG 3.3Å; F680-L684 WeakPolarHBondContact O-CG 3.37Å; F680-L684 PolarHBondContact O-N 2.72Å; F680-I700 HydrophobicContact CD2-CG2 3.96Å; F680-I700 HydrophobicContact CE2-CG2 3.96Å; F680-L701 HydrophobicContact CE1-CD2 4.48Å; F680-L701 HydrophobicContact CE2-CD2 4.03Å; F680-L701 HydrophobicContact CE2-CG 4.17Å; F680-L701 HydrophobicContact CZ-CD2 3.5Å; F680-L701 HydrophobicContact CZ-CG 4.07Å; F680-H704 HydrophobicContact CD2-CB 4.11Å; F680-H704 AromaticContact CD2-CD2 3.73Å; F680-H704 AromaticContact CD2-CG 3.78Å; F680-F709 HydrophobicContact CB-CE1 4.34Å; F680-F709 HydrophobicContact CD1-CE1 4.08Å; F680-F709 AromaticContact CD1-CZ 3.78Å; F680-F709 HydrophobicContact CD1-CZ 3.78Å; F680-F709 HydrophobicContact CD2-CZ 4.29Å; F680-F709 AromaticContact CE1-CZ 3.91Å; F680-F709 HydrophobicContact CE1-CZ 3.91Å; F680-F709 HydrophobicContact CE2-CZ 4.4Å; F680-F709 HydrophobicContact CG-CE1 4.13Å; F680-F709 HydrophobicContact CG-CZ 4Å; F680-F709 HydrophobicContact CZ-CZ 4.23Å
681	L	95.9	Very high	93.2	Very high	13 Å²	13	48.6 Å²	48.6	7%	0.068	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-46.3	172.9	-178.1	62.9	0	0	0	111.9	L631 E634 L638 S677 R679 D683 L684 E685	L631-L681 HydrophobicContact CD1-CD1 3.72Å; E634-L681 HydrophobicContact CB-CD1 4.18Å; E634-L681 HydrophobicContact CG-CB 4.02Å; E634-L681 HydrophobicContact CG-CD1 4.31Å; L638-L681 HydrophobicContact CD2-CD2 3.61Å; S677-L681 WeakPolarHBondContact O-CB 3.25Å; S677-L681 PolarHBondContact O-N 3.25Å; R679-L681 VanDerWaalsContact C-N 3.32Å; R679-L681 PolarHBondContact O-N 2.94Å; L681-D683 PolarHBondContact O-N 3.3Å; L681-L684 PolarHBondContact O-N 3.14Å; L681-E685 HydrophobicContact CD1-CG 4.47Å; L681-E685 WeakPolarHBondContact O-CG 3.06Å; L681-E685 PolarHBondContact O-N 3.27Å
682	K	95.2	Very high	92.3	Very high	94 Å²	94	47.5 Å²	47.5	41%	0.409	21%	0.214	S	C	.	.	H	α-helix	trans	-59.1	-45.6	178.5	179.1	-170.8	165.4	-62	0	111.9	E678 R679 E685 E686	E678-K682 WeakPolarHBondContact O-CB 3.32Å; E678-K682 PolarHBondContact O-N 3.35Å; E678-K682 VanDerWaalsContact O-N 3.11Å; R679-K682 WeakPolarHBondContact O-CB 3.38Å; R679-K682 PolarHBondContact O-N 3.07Å; R679-K682 VanDerWaalsContact O-N 3.15Å; K682-E685 PolarHBondContact O-N 3.04Å; K682-E686 WeakPolarHBondContact CE-OE1 3.32Å; K682-E686 IonicContact NZ-OE1 2.65Å; K682-E686 PolarHBondContact NZ-OE1 3.28Å; K682-E686 IonicContact NZ-OE2 3.31Å; K682-E686 PolarHBondContact NZ-OE2 3.11Å; K682-E686 WeakPolarHBondContact O-CB 3.46Å; K682-E686 WeakPolarHBondContact O-CG 3.42Å; K682-E686 PolarHBondContact O-N 3.01Å
683	D	95	Very high	91.6	Very high	48 Å²	48	45.4 Å²	45.4	26%	0.257	21%	0.209	S	C	.	.	H	α-helix	trans	-68.8	-37.1	-178.3	-61.2	-17	0	0	0	111.1	R679 F680 L681 H687 I700 H704	R679-D683 VanDerWaalsContact O-CG 3.25Å; R679-D683 PolarHBondContact O-N 3.37Å; F680-D683 PolarHBondContact O-N 3.24Å; L681-D683 PolarHBondContact O-N 3.3Å; D683-H687 WeakPolarHBondContact O-CB 3.34Å; D683-H687 PolarHBondContact O-N 3Å; D683-H687 VanDerWaalsContact O-N 3.08Å; D683-I700 HydrophobicContact CB-CG2 4.14Å; D683-H704 IonicContact OD2-CD2 3.64Å; D683-H704 IonicContact OD2-CE1 3.93Å; D683-H704 PolarHBondContact OD2-CE1 3.42Å; D683-H704 IonicContact OD2-NE2 3.33Å; D683-H704 PolarHBondContact OD2-NE2 3.36Å
684	L	93.7	Very high	90.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-47.6	169.4	-72.9	175.6	0	0	0	111.9	V630 L631 F680 L681 E686 H687 I688 I697 I700	V630-L684 HydrophobicContact CG1-CD1 3.94Å; L631-L684 HydrophobicContact CD1-CB 3.69Å; L631-L684 HydrophobicContact CD1-CD1 4.47Å; F680-L684 HydrophobicContact CD1-CD1 4.47Å; F680-L684 HydrophobicContact CD2-CD1 4.22Å; F680-L684 HydrophobicContact CD2-CG 4.15Å; F680-L684 HydrophobicContact CE1-CD1 4.02Å; F680-L684 HydrophobicContact CE2-CD1 3.73Å; F680-L684 HydrophobicContact CE2-CD2 4.05Å; F680-L684 HydrophobicContact CE2-CG 3.79Å; F680-L684 HydrophobicContact CZ-CD1 3.61Å; F680-L684 HydrophobicContact CZ-CD2 4.46Å; F680-L684 HydrophobicContact CZ-CG 4.19Å; F680-L684 WeakPolarHBondContact O-CB 3.36Å; F680-L684 VanDerWaalsContact O-CG 3.3Å; F680-L684 WeakPolarHBondContact O-CG 3.37Å; F680-L684 PolarHBondContact O-N 2.72Å; L681-L684 PolarHBondContact O-N 3.14Å; L684-E686 PolarHBondContact O-N 3.49Å; L684-H687 PolarHBondContact O-N 3Å; L684-I688 HydrophobicContact CB-CD1 4.44Å; L684-I688 WeakPolarHBondContact O-CB 3.39Å; L684-I688 WeakPolarHBondContact O-CG1 3.06Å; L684-I688 PolarHBondContact O-N 2.83Å; L684-I697 HydrophobicContact CD2-CB 3.98Å; L684-I697 HydrophobicContact CD2-CD1 3.87Å; L684-I697 HydrophobicContact CD2-CG2 4.2Å; L684-I700 HydrophobicContact CD2-CD1 4.44Å; L684-I700 HydrophobicContact CD2-CG2 4.19Å; L684-I700 HydrophobicContact CG-CG2 4.44Å
685	E	91.1	Very high	90.2	Very high	16 Å²	16	46.4 Å²	46.4	8%	0.075	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-45.7	177.4	-74	-175.6	172.8	0	0	112.1	K528 L631 L681 K682 H687 I688 F689	K528-E685 WeakPolarHBondContact CE-OE1 3.49Å; K528-E685 WeakPolarHBondContact CE-OE2 3.33Å; K528-E685 IonicContact NZ-OE1 3.28Å; K528-E685 PolarHBondContact NZ-OE1 3.42Å; K528-E685 IonicContact NZ-OE2 3.49Å; K528-E685 PolarHBondContact NZ-OE2 3Å; L631-E685 HydrophobicContact CD1-CG 3.93Å; L681-E685 HydrophobicContact CD1-CG 4.47Å; L681-E685 WeakPolarHBondContact O-CG 3.06Å; L681-E685 PolarHBondContact O-N 3.27Å; K682-E685 PolarHBondContact O-N 3.04Å; E685-H687 PolarHBondContact O-N 2.86Å; E685-I688 PolarHBondContact O-N 3.27Å; E685-F689 HydrophobicContact CB-CD2 4.07Å; E685-F689 HydrophobicContact CB-CE2 4.25Å; E685-F689 HydrophobicContact CG-CD2 4.44Å; E685-F689 HydrophobicContact CG-CE2 4.13Å; E685-F689 WeakPolarHBondContact O-CB 3.19Å; E685-F689 VanDerWaalsContact O-CD2 3.26Å; E685-F689 WeakPolarHBondContact O-CD2 3.36Å; E685-F689 PolarHBondContact O-N 3.21Å
686	E	89.9	Confident	89.7	Confident	110 Å²	110	43.7 Å²	43.7	51%	0.514	21%	0.208	S	C	.	.	H	α-helix	trans	-67.5	-24.5	-179.7	-77.9	177.2	-172	0	0	112.7	K682 L684 K690	K682-E686 WeakPolarHBondContact CE-OE1 3.32Å; K682-E686 IonicContact NZ-OE1 2.65Å; K682-E686 PolarHBondContact NZ-OE1 3.28Å; K682-E686 IonicContact NZ-OE2 3.31Å; K682-E686 PolarHBondContact NZ-OE2 3.11Å; K682-E686 WeakPolarHBondContact O-CB 3.46Å; K682-E686 WeakPolarHBondContact O-CG 3.42Å; K682-E686 PolarHBondContact O-N 3.01Å; L684-E686 PolarHBondContact O-N 3.49Å; E686-K690 WeakPolarHBondContact O-CE 3.2Å; E686-K690 WeakPolarHBondContact O-CG 3.3Å
687	H	87.1	Confident	89.5	Confident	29 Å²	29	43.5 Å²	43.5	13%	0.134	21%	0.206	C	C	.	.	H	α-helix	trans	-82.3	-52.5	171.1	-156.2	132.1	0	0	0	111.9	D683 L684 E685 F689 K690 P695 I700	D683-H687 WeakPolarHBondContact O-CB 3.34Å; D683-H687 PolarHBondContact O-N 3Å; D683-H687 VanDerWaalsContact O-N 3.08Å; L684-H687 PolarHBondContact O-N 3Å; E685-H687 PolarHBondContact O-N 2.86Å; H687-F689 PolarHBondContact O-N 3.41Å; H687-K690 WeakPolarHBondContact O-CD 3.19Å; H687-K690 WeakPolarHBondContact O-CG 3.32Å; H687-K690 PolarHBondContact O-N 2.89Å; H687-P695 WeakPolarHBondContact NE2-CB 3.43Å; H687-P695 WeakPolarHBondContact NE2-CG 3.19Å; H687-I700 HydrophobicContact CB-CD1 3.52Å; H687-I700 WeakPolarHBondContact ND1-CD1 3.43Å
688	I	83.9	Confident	89.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-36	-172.6	-74.9	172.9	0	0	0	112.3	L631 L684 E685 K690 F694 I697	L631-I688 HydrophobicContact CB-CD1 3.83Å; L631-I688 HydrophobicContact CD1-CD1 4.27Å; L631-I688 HydrophobicContact CD2-CD1 3.99Å; L631-I688 HydrophobicContact CD2-CG2 4.02Å; L631-I688 HydrophobicContact CG-CD1 4.25Å; L684-I688 HydrophobicContact CB-CD1 4.44Å; L684-I688 WeakPolarHBondContact O-CB 3.39Å; L684-I688 WeakPolarHBondContact O-CG1 3.06Å; L684-I688 PolarHBondContact O-N 2.83Å; E685-I688 PolarHBondContact O-N 3.27Å; I688-K690 VanDerWaalsContact C-N 3.33Å; I688-K690 PolarHBondContact O-N 3.3Å; I688-F694 HydrophobicContact CB-CD1 4.42Å; I688-F694 HydrophobicContact CB-CG 4.36Å; I688-F694 HydrophobicContact CG1-CB 4.41Å; I688-F694 HydrophobicContact CG1-CD2 4.26Å; I688-F694 HydrophobicContact CG1-CG 4.25Å; I688-F694 HydrophobicContact CG2-CD1 3.72Å; I688-F694 HydrophobicContact CG2-CD2 3.8Å; I688-F694 HydrophobicContact CG2-CE1 3.56Å; I688-F694 HydrophobicContact CG2-CE2 3.62Å; I688-F694 HydrophobicContact CG2-CG 3.84Å; I688-F694 HydrophobicContact CG2-CZ 3.49Å; I688-F694 VanDerWaalsContact CG2-CZ 3.49Å; I688-F694 WeakPolarHBondContact O-CD1 3.37Å; I688-F694 WeakPolarHBondContact O-CE1 3.42Å; I688-I697 HydrophobicContact CD1-CG2 4.22Å; I688-I697 HydrophobicContact CG1-CG2 4.07Å
689	F	82.2	Confident	89.1	Confident	26 Å²	26	44.6 Å²	44.6	11%	0.114	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	7.2	-177.7	-67.5	-58.3	0	0	0	116.1	R523 N524 F527 L631 E685 H687	R523-F689 PolarHBondContact NH1-O 3.45Å; N524-F689 HydrophobicContact CB-CD2 4.49Å; F527-F689 HydrophobicContact CB-CZ 4.25Å; F527-F689 HydrophobicContact CD1-CE1 4.24Å; F527-F689 AromaticContact CD1-CE2 3.66Å; F527-F689 HydrophobicContact CD1-CE2 3.66Å; F527-F689 AromaticContact CD1-CZ 3.23Å; F527-F689 HydrophobicContact CD1-CZ 3.23Å; F527-F689 HydrophobicContact CD2-CZ 4.38Å; F527-F689 AromaticContact CE1-CE2 3.85Å; F527-F689 HydrophobicContact CE1-CE2 3.85Å; F527-F689 AromaticContact CE1-CZ 3.47Å; F527-F689 HydrophobicContact CE1-CZ 3.47Å; F527-F689 VanDerWaalsContact CE1-CZ 3.47Å; F527-F689 HydrophobicContact CG-CE1 4.32Å; F527-F689 HydrophobicContact CG-CE2 4.49Å; F527-F689 AromaticContact CG-CZ 3.7Å; F527-F689 HydrophobicContact CG-CZ 3.7Å; F527-F689 HydrophobicContact CZ-CZ 4.17Å; L631-F689 HydrophobicContact CD2-CE2 4.24Å; L631-F689 HydrophobicContact CD2-CZ 4.12Å; E685-F689 HydrophobicContact CB-CD2 4.07Å; E685-F689 HydrophobicContact CB-CE2 4.25Å; E685-F689 HydrophobicContact CG-CD2 4.44Å; E685-F689 HydrophobicContact CG-CE2 4.13Å; E685-F689 WeakPolarHBondContact O-CB 3.19Å; E685-F689 VanDerWaalsContact O-CD2 3.26Å; E685-F689 WeakPolarHBondContact O-CD2 3.36Å; E685-F689 PolarHBondContact O-N 3.21Å; H687-F689 PolarHBondContact O-N 3.41Å
690	K	83.2	Confident	89.1	Confident	115 Å²	115	40.8 Å²	40.8	50%	0.5	20%	0.201	S	C	.	.	S	Bend	trans	-63.4	-62	169.7	-67.1	167.3	-176.4	160.4	0	109.9	R523 E686 H687 I688	R523-K690 PolarHBondContact NH1-O 3.14Å; E686-K690 WeakPolarHBondContact O-CE 3.2Å; E686-K690 WeakPolarHBondContact O-CG 3.3Å; H687-K690 WeakPolarHBondContact O-CD 3.19Å; H687-K690 WeakPolarHBondContact O-CG 3.32Å; H687-K690 PolarHBondContact O-N 2.89Å; I688-K690 VanDerWaalsContact C-N 3.33Å; I688-K690 PolarHBondContact O-N 3.3Å
691	E	82.8	Confident	89	Confident	121 Å²	121	40.8 Å²	40.8	57%	0.565	20%	0.201	S	C	*	.	S	Bend	trans	-109.4	-177.2	-172.2	-69.6	174	-139.5	0	0	111.4	V693	E691-V693 VanDerWaalsContact CB-O 3.23Å; E691-V693 WeakPolarHBondContact CB-O 3.31Å
692	I	79.6	Confident	89.1	Confident	56 Å²	56	42 Å²	42	29%	0.287	21%	0.206	S	C	.	.	S	Bend	trans	-96.1	-43.1	177.5	-56.9	177.6	0	0	0	110.3	W601 V607 L612 F694	W601-I692 WeakPolarHBondContact CZ2-O 3.45Å; W601-I692 PolarHBondContact NE1-O 3.4Å; V607-I692 HydrophobicContact CG2-CG2 4Å; L612-I692 HydrophobicContact CD1-CB 3.93Å; L612-I692 HydrophobicContact CD1-CD1 4.36Å; L612-I692 HydrophobicContact CD1-CG2 3.81Å; I692-F694 VanDerWaalsContact O-CE1 3.27Å; I692-F694 WeakPolarHBondContact O-CE1 3.12Å
693	V	83.1	Confident	89.2	Confident	47 Å²	47	43.8 Å²	43.8	29%	0.285	21%	0.211	S	C	.	.	S	Bend	trans	-84.8	129.1	160.6	-178.1	0	0	0	0	106.3	W601 L612 L616 Q624 E691	W601-V693 HydrophobicContact CH2-CG2 4.43Å; W601-V693 HydrophobicContact CZ2-CG2 4.35Å; L612-V693 HydrophobicContact CD1-CG2 4.27Å; L616-V693 HydrophobicContact CD1-CG2 4Å; L616-V693 HydrophobicContact CD2-CG2 4.45Å; Q624-V693 HydrophobicContact CG-CG1 4.21Å; Q624-V693 VanDerWaalsContact NE2-CG1 3.3Å; E691-V693 VanDerWaalsContact CB-O 3.23Å; E691-V693 WeakPolarHBondContact CB-O 3.31Å
694	F	81.9	Confident	89.3	Confident	16 Å²	16	41.6 Å²	41.6	7%	0.07	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-87.9	142.2	-174.8	-43.9	-36	0	0	0	110.5	W601 Q624 M627 F628 I688 I692	W601-F694 AromaticContact CD1-CE2 3.2Å; W601-F694 AromaticContact CD1-CZ 3.26Å; W601-F694 HydrophobicContact CG-CE2 4.3Å; W601-F694 AromaticContact NE1-CE1 3.71Å; W601-F694 AromaticContact NE1-CE2 3.36Å; W601-F694 AromaticContact NE1-CZ 3.15Å; Q624-F694 PolarHBondContact NE2-O 3.38Å; Q624-F694 VanDerWaalsContact OE1-CB 3.3Å; Q624-F694 VanDerWaalsContact OE1-CD2 3.32Å; M627-F694 HydrophobicContact CE-CB 4.2Å; F628-F694 HydrophobicContact CB-CE2 4.3Å; F628-F694 AromaticContact CD2-CE2 3.65Å; F628-F694 HydrophobicContact CD2-CE2 3.65Å; F628-F694 HydrophobicContact CD2-CZ 4.1Å; F628-F694 HydrophobicContact CE2-CE2 4.38Å; F628-F694 HydrophobicContact CE2-CZ 4.39Å; F628-F694 HydrophobicContact CG-CE2 4.34Å; I688-F694 HydrophobicContact CB-CD1 4.42Å; I688-F694 HydrophobicContact CB-CG 4.36Å; I688-F694 HydrophobicContact CG1-CB 4.41Å; I688-F694 HydrophobicContact CG1-CD2 4.26Å; I688-F694 HydrophobicContact CG1-CG 4.25Å; I688-F694 HydrophobicContact CG2-CD1 3.72Å; I688-F694 HydrophobicContact CG2-CD2 3.8Å; I688-F694 HydrophobicContact CG2-CE1 3.56Å; I688-F694 HydrophobicContact CG2-CE2 3.62Å; I688-F694 HydrophobicContact CG2-CG 3.84Å; I688-F694 HydrophobicContact CG2-CZ 3.49Å; I688-F694 VanDerWaalsContact CG2-CZ 3.49Å; I688-F694 WeakPolarHBondContact O-CD1 3.37Å; I688-F694 WeakPolarHBondContact O-CE1 3.42Å; I692-F694 VanDerWaalsContact O-CE1 3.27Å; I692-F694 WeakPolarHBondContact O-CE1 3.12Å
695	P	83.5	Confident	89.5	Confident	46 Å²	46	41.9 Å²	41.9	30%	0.299	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-65.2	168.8	164.1	-11.9	27.2	0	0	0	110.8	H687	H687-P695 WeakPolarHBondContact NE2-CB 3.43Å; H687-P695 WeakPolarHBondContact NE2-CG 3.19Å
696	D	87.3	Confident	89.7	Confident	25 Å²	25	46.1 Å²	46.1	13%	0.134	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-61.1	145.5	174.4	179	50.5	0	0	0	112	Y623 C698 E785	Y623-D696 PolarHBondContact OH-OD1 2.65Å; Y623-D696 VanDerWaalsContact OH-OD1 3.06Å; D696-C698 PolarHBondContact OD1-N 2.8Å; D696-C698 PolarHBondContact OD1-SG 3.1Å; D696-C698 WeakPolarHBondContact OD2-CB 3.48Å; D696-C698 PolarHBondContact OD2-N 3.33Å; D696-E785 HydrophobicContact CB-CG 3.95Å
697	I	93.4	Very high	89.9	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.			trans	-112.3	5.1	-178.1	61.2	165	0	0	0	113	M627 V630 L684 I688 D699 I700 L701 I775	M627-I697 HydrophobicContact CB-CD1 3.84Å; M627-I697 HydrophobicContact CB-CG1 4.05Å; M627-I697 HydrophobicContact CG-CD1 4.23Å; M627-I697 HydrophobicContact CG-CG1 3.96Å; M627-I697 HydrophobicContact SD-CG1 4.14Å; V630-I697 HydrophobicContact CB-CD1 3.79Å; V630-I697 HydrophobicContact CG1-CD1 4.15Å; V630-I697 HydrophobicContact CG2-CD1 3.91Å; L684-I697 HydrophobicContact CD2-CB 3.98Å; L684-I697 HydrophobicContact CD2-CD1 3.87Å; L684-I697 HydrophobicContact CD2-CG2 4.2Å; I688-I697 HydrophobicContact CD1-CG2 4.22Å; I688-I697 HydrophobicContact CG1-CG2 4.07Å; I697-D699 PolarHBondContact O-N 2.92Å; I697-I700 PolarHBondContact O-N 3.21Å; I697-L701 HydrophobicContact CD1-CD1 4.14Å; I697-L701 HydrophobicContact CG1-CD1 4.07Å; I697-L701 PolarHBondContact O-N 3.43Å; I697-L701 VanDerWaalsContact O-N 3.1Å; I697-I775 HydrophobicContact CD1-CD1 4.41Å; I697-I775 HydrophobicContact CG1-CD1 4.41Å
698	C	94.3	Very high	90.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-71.8	-19.1	-176.9	-62.4	0	0	0	0	112.7	D696 H702 T788 A789 A792	D696-C698 PolarHBondContact OD1-N 2.8Å; D696-C698 PolarHBondContact OD1-SG 3.1Å; D696-C698 WeakPolarHBondContact OD2-CB 3.48Å; D696-C698 PolarHBondContact OD2-N 3.33Å; C698-H702 WeakPolarHBondContact O-CB 3.34Å; C698-H702 PolarHBondContact O-N 3.19Å; C698-T788 HydrophobicContact CB-CG2 3.92Å; C698-A789 HydrophobicContact CB-CB 4.15Å; C698-A792 HydrophobicContact CB-CB 4.41Å
699	D	93.7	Very high	91	Very high	78 Å²	78	45.9 Å²	45.9	42%	0.417	22%	0.221	S	C	.	.	H	α-helix	trans	-65.7	-46.2	170.9	70.4	-35.1	0	0	0	111.5	I697 H702 Y703 T788	I697-D699 PolarHBondContact O-N 2.92Å; D699-H702 PolarHBondContact O-N 3.46Å; D699-Y703 WeakPolarHBondContact O-CB 3.37Å; D699-Y703 PolarHBondContact O-N 3.02Å; D699-T788 HydrophobicContact CB-CG2 4.17Å
700	I	96.2	Very high	91.7	Very high	17 Å²	17	47.2 Å²	47.2	9%	0.087	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-47.7	174.8	-63.5	168.9	0	0	0	109.8	F680 D683 L684 H687 I697 H702 Y703 H704	F680-I700 HydrophobicContact CD2-CG2 3.96Å; F680-I700 HydrophobicContact CE2-CG2 3.96Å; D683-I700 HydrophobicContact CB-CG2 4.14Å; L684-I700 HydrophobicContact CD2-CD1 4.44Å; L684-I700 HydrophobicContact CD2-CG2 4.19Å; L684-I700 HydrophobicContact CG-CG2 4.44Å; H687-I700 HydrophobicContact CB-CD1 3.52Å; H687-I700 WeakPolarHBondContact ND1-CD1 3.43Å; I697-I700 PolarHBondContact O-N 3.21Å; I700-H702 VanDerWaalsContact C-N 3.28Å; I700-H702 PolarHBondContact O-N 2.91Å; I700-Y703 PolarHBondContact O-N 2.91Å; I700-H704 PolarHBondContact O-CD2 2.99Å; I700-H704 PolarHBondContact O-N 2.78Å
701	L	96.6	Very high	92.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-40.5	175.3	-79.7	153	0	0	0	111.7	V630 F680 I697 A705 I768 I772 I775 A792	V630-L701 HydrophobicContact CG1-CD2 4.31Å; F680-L701 HydrophobicContact CE1-CD2 4.48Å; F680-L701 HydrophobicContact CE2-CD2 4.03Å; F680-L701 HydrophobicContact CE2-CG 4.17Å; F680-L701 HydrophobicContact CZ-CD2 3.5Å; F680-L701 HydrophobicContact CZ-CG 4.07Å; I697-L701 HydrophobicContact CD1-CD1 4.14Å; I697-L701 HydrophobicContact CG1-CD1 4.07Å; I697-L701 PolarHBondContact O-N 3.43Å; I697-L701 VanDerWaalsContact O-N 3.1Å; L701-A705 WeakPolarHBondContact O-CB 3.41Å; L701-A705 PolarHBondContact O-N 2.81Å; L701-I768 HydrophobicContact CD2-CG2 3.99Å; L701-I772 HydrophobicContact CD1-CG1 4.18Å; L701-I772 HydrophobicContact CD2-CD1 4.28Å; L701-I772 HydrophobicContact CD2-CG1 4.2Å; L701-I775 HydrophobicContact CD1-CD1 4.43Å; L701-A792 HydrophobicContact CB-CB 4.12Å
702	H	96.8	Very high	93	Very high	39 Å²	39	36.1 Å²	36.1	18%	0.181	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-45.9	177	-172.1	49.6	0	0	0	112.1	C698 D699 I700 A705 Q706 K791 A792 S795	C698-H702 WeakPolarHBondContact O-CB 3.34Å; C698-H702 PolarHBondContact O-N 3.19Å; D699-H702 PolarHBondContact O-N 3.46Å; I700-H702 VanDerWaalsContact C-N 3.28Å; I700-H702 PolarHBondContact O-N 2.91Å; H702-A705 PolarHBondContact O-N 3.03Å; H702-Q706 PolarHBondContact CE1-NE2 3.27Å; H702-Q706 PolarHBondContact NE2-NE2 3.2Å; H702-Q706 WeakPolarHBondContact O-CG 3.48Å; H702-Q706 PolarHBondContact O-N 3.31Å; H702-K791 PolarHBondContact CE1-O 3.29Å; H702-K791 PolarHBondContact ND1-O 3.26Å; H702-K791 VanDerWaalsContact ND1-O 3.1Å; H702-A792 HydrophobicContact CB-CB 4.04Å; H702-S795 PolarHBondContact CE1-OG 2.72Å; H702-S795 PolarHBondContact ND1-OG 2.86Å; H702-S795 VanDerWaalsContact ND1-OG 3.1Å
703	Y	97.2	Very high	93.8	Very high	130 Å²	130	34.5 Å²	34.5	51%	0.51	18%	0.176	S	C	.	.	H	α-helix	trans	-58.9	-52.7	177.4	176.2	-93.9	0	0	0	111.6	D699 I700 A705 Q706 H707	D699-Y703 WeakPolarHBondContact O-CB 3.37Å; D699-Y703 PolarHBondContact O-N 3.02Å; I700-Y703 PolarHBondContact O-N 2.91Å; Y703-A705 VanDerWaalsContact C-N 3.31Å; Y703-A705 PolarHBondContact O-N 3.33Å; Y703-Q706 PolarHBondContact O-N 2.72Å; Y703-H707 AromaticContact CD2-CD2 3.43Å; Y703-H707 VanDerWaalsContact CD2-CD2 3.43Å; Y703-H707 WeakPolarHBondContact CD2-CD2 3.45Å; Y703-H707 AromaticContact CD2-NE2 3.9Å; Y703-H707 AromaticContact CE2-CD2 3.42Å; Y703-H707 VanDerWaalsContact CE2-CD2 3.42Å; Y703-H707 WeakPolarHBondContact CE2-CD2 3.47Å; Y703-H707 AromaticContact CE2-NE2 3.93Å; Y703-H707 AromaticContact CG-CD2 3.98Å; Y703-H707 AromaticContact CZ-CD2 3.97Å; Y703-H707 PolarHBondContact O-CD2 3.41Å; Y703-H707 VanDerWaalsContact O-CD2 3.22Å; Y703-H707 PolarHBondContact O-N 3.26Å
704	H	97.9	Very high	94.3	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-34.8	178.7	-82.4	-85.8	0	0	0	112.3	F680 D683 I700 Q706 N708 F709	F680-H704 HydrophobicContact CD2-CB 4.11Å; F680-H704 AromaticContact CD2-CD2 3.73Å; F680-H704 AromaticContact CD2-CG 3.78Å; D683-H704 IonicContact OD2-CD2 3.64Å; D683-H704 IonicContact OD2-CE1 3.93Å; D683-H704 PolarHBondContact OD2-CE1 3.42Å; D683-H704 IonicContact OD2-NE2 3.33Å; D683-H704 PolarHBondContact OD2-NE2 3.36Å; I700-H704 PolarHBondContact O-CD2 2.99Å; I700-H704 PolarHBondContact O-N 2.78Å; H704-Q706 VanDerWaalsContact C-N 3.32Å; H704-Q706 PolarHBondContact O-N 3.27Å; H704-N708 PolarHBondContact O-N 3.28Å; H704-F709 HydrophobicContact CB-CD1 4.16Å; H704-F709 HydrophobicContact CB-CE1 3.68Å; H704-F709 HydrophobicContact CB-CE2 4.25Å; H704-F709 HydrophobicContact CB-CZ 3.73Å; H704-F709 WeakPolarHBondContact O-CG 3.27Å; H704-F709 PolarHBondContact O-N 2.85Å
705	A	96.9	Very high	95	Very high	7 Å²	7	34.6 Å²	34.6	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-66.3	-29	172.2	0	0	0	0	0	113.7	L701 H702 Y703 F709 V796 I799	L701-A705 WeakPolarHBondContact O-CB 3.41Å; L701-A705 PolarHBondContact O-N 2.81Å; H702-A705 PolarHBondContact O-N 3.03Å; Y703-A705 VanDerWaalsContact C-N 3.31Å; Y703-A705 PolarHBondContact O-N 3.33Å; A705-F709 HydrophobicContact CB-CD2 4.01Å; A705-F709 HydrophobicContact CB-CE2 4.47Å; A705-V796 HydrophobicContact CB-CG2 3.69Å; A705-I799 HydrophobicContact CB-CD1 4.27Å; A705-I799 WeakPolarHBondContact O-CD1 3.26Å
706	Q	96.1	Very high	95.6	Very high	105 Å²	105	32.7 Å²	32.7	49%	0.491	16%	0.163	S	C	.	.	H	α-helix	trans	-81.9	-38.9	175.3	-71.6	-164.8	16.4	0	0	113.3	H702 Y703 H704	H702-Q706 PolarHBondContact CE1-NE2 3.27Å; H702-Q706 PolarHBondContact NE2-NE2 3.2Å; H702-Q706 WeakPolarHBondContact O-CG 3.48Å; H702-Q706 PolarHBondContact O-N 3.31Å; Y703-Q706 PolarHBondContact O-N 2.72Å; H704-Q706 VanDerWaalsContact C-N 3.32Å; H704-Q706 PolarHBondContact O-N 3.27Å
707	H	95.1	Very high	95.9	Very high	106 Å²	106	35.5 Å²	35.5	49%	0.491	17%	0.172	S	C	.	.	H	α-helix	trans	-110.2	-26.4	-165.2	-58.6	-59.4	0	0	0	115	Y703	Y703-H707 AromaticContact CD2-CD2 3.43Å; Y703-H707 VanDerWaalsContact CD2-CD2 3.43Å; Y703-H707 WeakPolarHBondContact CD2-CD2 3.45Å; Y703-H707 AromaticContact CD2-NE2 3.9Å; Y703-H707 AromaticContact CE2-CD2 3.42Å; Y703-H707 VanDerWaalsContact CE2-CD2 3.42Å; Y703-H707 WeakPolarHBondContact CE2-CD2 3.47Å; Y703-H707 AromaticContact CE2-NE2 3.93Å; Y703-H707 AromaticContact CG-CD2 3.98Å; Y703-H707 AromaticContact CZ-CD2 3.97Å; Y703-H707 PolarHBondContact O-CD2 3.41Å; Y703-H707 VanDerWaalsContact O-CD2 3.22Å; Y703-H707 PolarHBondContact O-N 3.26Å
708	N	96.6	Very high	95.9	Very high	27 Å²	27	38 Å²	38	14%	0.144	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-42.3	-166.2	-59.6	82.9	0	0	0	113	V676 H704 S710 T711	V676-N708 HydrophobicContact CG1-CB 3.85Å; V676-N708 HydrophobicContact CG2-CB 4.12Å; H704-N708 PolarHBondContact O-N 3.28Å; N708-S710 PolarHBondContact O-N 2.91Å; N708-T711 WeakPolarHBondContact O-CB 3.27Å; N708-T711 PolarHBondContact O-N 3.32Å; N708-T711 PolarHBondContact O-OG1 3.22Å
709	F	97.6	Very high	95.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7.6	-174.2	-66.5	-5.9	0	0	0	114.5	V676 F680 H704 A705 T711 Y712 I765 I768 V796 I799	V676-F709 HydrophobicContact CG1-CD1 3.78Å; V676-F709 HydrophobicContact CG1-CE1 4.12Å; F680-F709 HydrophobicContact CB-CE1 4.34Å; F680-F709 HydrophobicContact CD1-CE1 4.08Å; F680-F709 AromaticContact CD1-CZ 3.78Å; F680-F709 HydrophobicContact CD1-CZ 3.78Å; F680-F709 HydrophobicContact CD2-CZ 4.29Å; F680-F709 AromaticContact CE1-CZ 3.91Å; F680-F709 HydrophobicContact CE1-CZ 3.91Å; F680-F709 HydrophobicContact CE2-CZ 4.4Å; F680-F709 HydrophobicContact CG-CE1 4.13Å; F680-F709 HydrophobicContact CG-CZ 4Å; F680-F709 HydrophobicContact CZ-CZ 4.23Å; H704-F709 HydrophobicContact CB-CD1 4.16Å; H704-F709 HydrophobicContact CB-CE1 3.68Å; H704-F709 HydrophobicContact CB-CE2 4.25Å; H704-F709 HydrophobicContact CB-CZ 3.73Å; H704-F709 WeakPolarHBondContact O-CG 3.27Å; H704-F709 PolarHBondContact O-N 2.85Å; A705-F709 HydrophobicContact CB-CD2 4.01Å; A705-F709 HydrophobicContact CB-CE2 4.47Å; F709-T711 PolarHBondContact O-N 3.13Å; F709-T711 VanDerWaalsContact O-N 3.11Å; F709-Y712 HydrophobicContact CB-CD2 3.9Å; F709-Y712 HydrophobicContact CB-CE2 4.26Å; F709-Y712 HydrophobicContact CD1-CD2 4.29Å; F709-Y712 AromaticContact CD1-CE2 3.76Å; F709-Y712 HydrophobicContact CD1-CE2 3.76Å; F709-Y712 HydrophobicContact CE1-CE2 4.34Å; F709-Y712 HydrophobicContact CG-CD2 4.21Å; F709-Y712 HydrophobicContact CG-CE2 4.07Å; F709-Y712 WeakPolarHBondContact O-CB 3.29Å; F709-Y712 WeakPolarHBondContact O-CD2 3.29Å; F709-Y712 PolarHBondContact O-N 3.29Å; F709-I765 HydrophobicContact CB-CD1 4.24Å; F709-I765 HydrophobicContact CD2-CD1 4.03Å; F709-I765 HydrophobicContact CG-CD1 4.36Å; F709-I768 HydrophobicContact CE2-CD1 4.08Å; F709-I768 HydrophobicContact CE2-CG2 4.37Å; F709-I768 HydrophobicContact CZ-CD1 4.11Å; F709-V796 HydrophobicContact CD2-CG2 4.42Å; F709-I799 HydrophobicContact CB-CD1 3.51Å; F709-I799 HydrophobicContact CD2-CD1 4.46Å
710	S	95.8	Very high	95.4	Very high	54 Å²	54	37.3 Å²	37.3	38%	0.378	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.1	166.7	54.2	0	0	0	0	112.7	N708 Y712 I713	N708-S710 PolarHBondContact O-N 2.91Å; S710-Y712 PolarHBondContact O-N 3.46Å; S710-I713 VanDerWaalsContact O-CB 3.31Å; S710-I713 WeakPolarHBondContact O-CB 3.17Å; S710-I713 WeakPolarHBondContact O-CG1 3.29Å; S710-I713 PolarHBondContact O-N 2.89Å
711	T	96.9	Very high	95.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	19%	0.191	C	C	.	.	H	α-helix	trans	-57.5	-27	173.9	-57.7	0	0	0	0	114.2	N669 K672 V673 N708 F709 I713 Y715	N669-T711 PolarHBondContact ND2-O 2.89Å; N669-T711 VanDerWaalsContact ND2-O 3.14Å; K672-T711 HydrophobicContact CB-CG2 3.84Å; K672-T711 HydrophobicContact CD-CG2 3.71Å; K672-T711 VanDerWaalsContact CE-OG1 3.28Å; K672-T711 WeakPolarHBondContact CE-OG1 3.45Å; K672-T711 HydrophobicContact CG-CG2 3.65Å; K672-T711 PolarHBondContact NZ-OG1 2.88Å; V673-T711 HydrophobicContact CG2-CG2 3.95Å; N708-T711 WeakPolarHBondContact O-CB 3.27Å; N708-T711 PolarHBondContact O-N 3.32Å; N708-T711 PolarHBondContact O-OG1 3.22Å; F709-T711 PolarHBondContact O-N 3.13Å; F709-T711 VanDerWaalsContact O-N 3.11Å; T711-I713 VanDerWaalsContact C-N 3.29Å; T711-I713 PolarHBondContact O-N 3.39Å; T711-Y715 PolarHBondContact O-N 2.8Å
712	Y	97.3	Very high	95.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-30.1	174.8	-73.1	-84.3	0	0	0	112	Y637 V673 V676 F709 S710 Y715 V716 P761 R764 I765	Y637-Y712 WeakPolarHBondContact CE1-OH 3.43Å; Y637-Y712 WeakPolarHBondContact OH-CE1 3.43Å; V673-Y712 HydrophobicContact CG1-CD1 4.18Å; V673-Y712 HydrophobicContact CG1-CE1 3.64Å; V676-Y712 HydrophobicContact CG1-CE2 4.49Å; F709-Y712 HydrophobicContact CB-CD2 3.9Å; F709-Y712 HydrophobicContact CB-CE2 4.26Å; F709-Y712 HydrophobicContact CD1-CD2 4.29Å; F709-Y712 AromaticContact CD1-CE2 3.76Å; F709-Y712 HydrophobicContact CD1-CE2 3.76Å; F709-Y712 HydrophobicContact CE1-CE2 4.34Å; F709-Y712 HydrophobicContact CG-CD2 4.21Å; F709-Y712 HydrophobicContact CG-CE2 4.07Å; F709-Y712 WeakPolarHBondContact O-CB 3.29Å; F709-Y712 WeakPolarHBondContact O-CD2 3.29Å; F709-Y712 PolarHBondContact O-N 3.29Å; S710-Y712 PolarHBondContact O-N 3.46Å; Y712-Y715 PolarHBondContact O-N 2.83Å; Y712-V716 WeakPolarHBondContact O-CB 3.3Å; Y712-V716 VanDerWaalsContact O-CG2 3.29Å; Y712-V716 WeakPolarHBondContact O-CG2 3.48Å; Y712-V716 PolarHBondContact O-N 3.22Å; Y712-P761 HydrophobicContact CD1-CB 3.69Å; Y712-P761 VanDerWaalsContact CD1-O 3.3Å; Y712-P761 WeakPolarHBondContact CD1-O 3.13Å; Y712-P761 HydrophobicContact CE1-CB 3.89Å; Y712-R764 HydrophobicContact CE1-CB 4.37Å; Y712-I765 HydrophobicContact CD1-CB 4.15Å; Y712-I765 HydrophobicContact CD2-CD1 4.09Å; Y712-I765 HydrophobicContact CG-CB 4.12Å; Y712-I765 HydrophobicContact CG-CD1 4.42Å; Y712-I765 HydrophobicContact CG-CG1 4.43Å
713	I	95.8	Very high	94.8	Very high	23 Å²	23	39.8 Å²	39.8	12%	0.118	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-50.1	179	-52.9	165.7	0	0	0	109.7	S710 T711 Y715 V716 R717 I799 C802 D806	S710-I713 VanDerWaalsContact O-CB 3.31Å; S710-I713 WeakPolarHBondContact O-CB 3.17Å; S710-I713 WeakPolarHBondContact O-CG1 3.29Å; S710-I713 PolarHBondContact O-N 2.89Å; T711-I713 VanDerWaalsContact C-N 3.29Å; T711-I713 PolarHBondContact O-N 3.39Å; I713-Y715 PolarHBondContact O-N 3.01Å; I713-V716 PolarHBondContact O-N 3.01Å; I713-R717 WeakPolarHBondContact O-CB 3.35Å; I713-R717 PolarHBondContact O-N 3.13Å; I713-I799 HydrophobicContact CD1-CG2 4.35Å; I713-I799 HydrophobicContact CG1-CG2 3.92Å; I713-C802 HydrophobicContact CD1-CB 3.64Å; I713-C802 HydrophobicContact CG1-CB 4.11Å; I713-C802 HydrophobicContact CG2-CB 4.4Å; I713-D806 HydrophobicContact CG2-CB 4.36Å
714	D	94.4	Very high	94.6	Very high	65 Å²	65	37.8 Å²	37.8	35%	0.348	19%	0.185	S	C	.	.	H	α-helix	trans	-55.2	-36.6	176.5	-65.7	-29.9	0	0	0	112.3	N669 K672 N718	N669-D714 VanDerWaalsContact ND2-CB 3.3Å; N669-D714 WeakPolarHBondContact ND2-CB 3.35Å; K672-D714 IonicContact NZ-OD2 3.08Å; D714-N718 PolarHBondContact O-ND2 3.46Å
715	Y	96.6	Very high	94.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-74.5	-58	179	-170.6	-83.7	0	0	0	111.6	N669 I670 V673 T711 Y712 I713 R717 N718 Q719 Q722 L758 P761	N669-Y715 WeakPolarHBondContact OD1-CA 3.31Å; N669-Y715 WeakPolarHBondContact OD1-CB 3.34Å; N669-Y715 WeakPolarHBondContact OD1-CD2 3.49Å; N669-Y715 PolarHBondContact OD1-N 3.05Å; I670-Y715 HydrophobicContact CB-CD2 4.45Å; I670-Y715 HydrophobicContact CB-CE2 3.92Å; I670-Y715 HydrophobicContact CD1-CD2 4.2Å; I670-Y715 HydrophobicContact CD1-CE2 3.62Å; I670-Y715 HydrophobicContact CG1-CE2 4.33Å; V673-Y715 HydrophobicContact CG2-CD2 4.16Å; V673-Y715 HydrophobicContact CG2-CG 4.28Å; T711-Y715 PolarHBondContact O-N 2.8Å; Y712-Y715 PolarHBondContact O-N 2.83Å; I713-Y715 PolarHBondContact O-N 3.01Å; Y715-R717 VanDerWaalsContact C-N 3.25Å; Y715-R717 PolarHBondContact O-N 3.43Å; Y715-N718 PolarHBondContact O-N 3.45Å; Y715-Q719 PolarHBondContact O-N 3.38Å; Y715-Q722 PolarHBondContact OH-NE2 2.6Å; Y715-Q722 PolarHBondContact OH-OE1 3.42Å; Y715-L758 VanDerWaalsContact CE1-O 3.29Å; Y715-L758 WeakPolarHBondContact CE1-O 3.38Å; Y715-L758 PolarHBondContact OH-O 3.17Å; Y715-P761 HydrophobicContact CD1-CB 3.59Å; Y715-P761 HydrophobicContact CD1-CG 3.54Å; Y715-P761 HydrophobicContact CD2-CG 4.24Å; Y715-P761 HydrophobicContact CE1-CB 4.01Å; Y715-P761 HydrophobicContact CE1-CG 3.49Å; Y715-P761 VanDerWaalsContact CE1-CG 3.49Å; Y715-P761 HydrophobicContact CE2-CG 4.21Å; Y715-P761 HydrophobicContact CG-CB 4.02Å; Y715-P761 HydrophobicContact CG-CG 3.92Å
716	V	95.1	Very high	94.5	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.036	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-34.3	-173.7	174	0	0	0	0	111.2	Y712 I713 N718 Q719 F762 C803 V807	Y712-V716 WeakPolarHBondContact O-CB 3.3Å; Y712-V716 VanDerWaalsContact O-CG2 3.29Å; Y712-V716 WeakPolarHBondContact O-CG2 3.48Å; Y712-V716 PolarHBondContact O-N 3.22Å; I713-V716 PolarHBondContact O-N 3.01Å; V716-N718 PolarHBondContact O-N 2.94Å; V716-N718 VanDerWaalsContact O-N 3.17Å; V716-Q719 WeakPolarHBondContact O-CB 3.42Å; V716-Q719 PolarHBondContact O-N 2.86Å; V716-Q719 VanDerWaalsContact O-N 3.1Å; V716-F762 HydrophobicContact CG1-CD2 3.81Å; V716-F762 HydrophobicContact CG2-CB 3.95Å; V716-F762 HydrophobicContact CG2-CD2 4.25Å; V716-C803 HydrophobicContact CB-CB 4.3Å; V716-C803 HydrophobicContact CG1-CB 3.97Å; V716-V807 HydrophobicContact CG1-CG2 4.11Å; V716-V807 WeakPolarHBondContact O-CG2 3.15Å
717	R	93.6	Very high	94.5	Very high	84 Å²	84	36.6 Å²	36.6	32%	0.317	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-33.9	171.9	-172.6	-167.6	-68.1	175.1	-2.4	112.9	I713 Y715 D806 M810	I713-R717 WeakPolarHBondContact O-CB 3.35Å; I713-R717 PolarHBondContact O-N 3.13Å; Y715-R717 VanDerWaalsContact C-N 3.25Å; Y715-R717 PolarHBondContact O-N 3.43Å; R717-D806 HydrophobicContact CG-CB 4.36Å; R717-D806 IonicContact CZ-OD2 3.95Å; R717-D806 IonicContact NE-OD2 2.91Å; R717-D806 IonicContact NH2-OD2 3.41Å; R717-D806 PolarHBondContact NH2-OD2 2.92Å; R717-M810 HydrophobicContact CG-CE 3.94Å; R717-M810 HydrophobicContact CG-CG 3.47Å; R717-M810 VanDerWaalsContact CG-CG 3.47Å; R717-M810 HydrophobicContact CG-SD 3.75Å
718	N	93.2	Very high	94.6	Very high	52 Å²	52	36.6 Å²	36.6	28%	0.278	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.3	-177.3	-64.6	-19.5	0	0	0	113.7	S668 D714 Y715 V716 T720 Y721 Q722	S668-N718 PolarHBondContact OG-ND2 2.87Å; D714-N718 PolarHBondContact O-ND2 3.46Å; Y715-N718 PolarHBondContact O-N 3.45Å; V716-N718 PolarHBondContact O-N 2.94Å; V716-N718 VanDerWaalsContact O-N 3.17Å; N718-T720 PolarHBondContact O-N 3.2Å; N718-Y721 WeakPolarHBondContact O-CA 3.37Å; N718-Y721 WeakPolarHBondContact O-CB 3.47Å; N718-Y721 PolarHBondContact O-N 3.19Å; N718-Q722 PolarHBondContact O-N 3.44Å; N718-Q722 VanDerWaalsContact O-N 3.08Å
719	Q	90.8	Very high	94.5	Very high	14 Å²	14	35.7 Å²	35.7	7%	0.065	17%	0.174	C	C	.	.	H	α-helix	trans	-51.5	-48	-172.9	-177.1	66.2	48.5	0	0	113.1	Y715 V716 Y721 Q722 E723 L758 L759	Y715-Q719 PolarHBondContact O-N 3.38Å; V716-Q719 WeakPolarHBondContact O-CB 3.42Å; V716-Q719 PolarHBondContact O-N 2.86Å; V716-Q719 VanDerWaalsContact O-N 3.1Å; Q719-Y721 PolarHBondContact O-N 3.3Å; Q719-Q722 VanDerWaalsContact O-CB 3.3Å; Q719-Q722 WeakPolarHBondContact O-CB 3.43Å; Q719-Q722 PolarHBondContact O-N 2.99Å; Q719-E723 WeakPolarHBondContact CG-OE1 3.3Å; Q719-E723 PolarHBondContact NE2-OE1 3.23Å; Q719-E723 PolarHBondContact O-N 2.74Å; Q719-L758 PolarHBondContact OE1-O 2.93Å; Q719-L759 HydrophobicContact CG-CD2 4.45Å
720	T	88.1	Confident	94.4	Very high	49 Å²	49	38 Å²	38	30%	0.301	19%	0.186	S	C	.	.	H	α-helix	trans	-61.7	-30.8	178.4	-52.8	0	0	0	0	112.9	N718 K724	N718-T720 PolarHBondContact O-N 3.2Å; T720-K724 HydrophobicContact CG2-CD 4.34Å; T720-K724 WeakPolarHBondContact O-CB 3.47Å; T720-K724 VanDerWaalsContact O-CG 3.28Å; T720-K724 WeakPolarHBondContact O-CG 3.37Å; T720-K724 PolarHBondContact O-N 2.9Å
721	Y	91.6	Very high	94.4	Very high	70 Å²	70	43 Å²	43	28%	0.275	20%	0.2	S	C	.	.	H	α-helix	trans	-77.5	-31.1	176.3	-69.4	-107.2	0	0	0	112	T665 N718 Q719 T725 M810 E814	T665-Y721 WeakPolarHBondContact CG2-O 3.19Å; N718-Y721 WeakPolarHBondContact O-CA 3.37Å; N718-Y721 WeakPolarHBondContact O-CB 3.47Å; N718-Y721 PolarHBondContact O-N 3.19Å; Q719-Y721 PolarHBondContact O-N 3.3Å; Y721-T725 WeakPolarHBondContact O-CB 3.38Å; Y721-T725 PolarHBondContact O-N 3.18Å; Y721-T725 PolarHBondContact O-OG1 3.46Å; Y721-M810 HydrophobicContact CD2-CE 4.02Å; Y721-M810 HydrophobicContact CE2-CE 3.49Å; Y721-M810 VanDerWaalsContact CE2-CE 3.49Å; Y721-E814 HydrophobicContact CE2-CG 4.35Å; Y721-E814 WeakPolarHBondContact OH-CG 3.21Å
722	Q	95.1	Very high	94.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-48.4	170.1	-61.9	178.1	-51.4	0	0	110.2	T665 L666 Y715 N718 Q719 T725 Y726	T665-Q722 VanDerWaalsContact O-CG 3.27Å; T665-Q722 WeakPolarHBondContact O-CG 3.19Å; L666-Q722 WeakPolarHBondContact O-CG 3.23Å; L666-Q722 PolarHBondContact O-NE2 2.87Å; Y715-Q722 PolarHBondContact OH-NE2 2.6Å; Y715-Q722 PolarHBondContact OH-OE1 3.42Å; N718-Q722 PolarHBondContact O-N 3.44Å; N718-Q722 VanDerWaalsContact O-N 3.08Å; Q719-Q722 VanDerWaalsContact O-CB 3.3Å; Q719-Q722 WeakPolarHBondContact O-CB 3.43Å; Q719-Q722 PolarHBondContact O-N 2.99Å; Q722-T725 PolarHBondContact O-N 2.67Å; Q722-Y726 WeakPolarHBondContact O-CB 3.43Å; Q722-Y726 PolarHBondContact O-N 3.19Å
723	E	90.2	Very high	94.3	Very high	38 Å²	38	48.9 Å²	48.9	18%	0.178	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-52.6	177.5	-77.5	154.4	-164.6	0	0	112.4	W178 Q719 T725 Y726 S727 I755	W178-E723 HydrophobicContact CH2-CB 4.33Å; Q719-E723 WeakPolarHBondContact CG-OE1 3.3Å; Q719-E723 PolarHBondContact NE2-OE1 3.23Å; Q719-E723 PolarHBondContact O-N 2.74Å; E723-T725 PolarHBondContact O-N 3.43Å; E723-Y726 PolarHBondContact O-N 2.79Å; E723-S727 WeakPolarHBondContact O-CB 3.45Å; E723-S727 PolarHBondContact O-N 3.44Å; E723-S727 PolarHBondContact O-OG 2.98Å; E723-I755 HydrophobicContact CG-CD1 3.97Å
724	K	92.6	Very high	94.4	Very high	89 Å²	89	55.4 Å²	55.4	39%	0.387	27%	0.269	S	S	.	.	H	α-helix	trans	-56.3	-33.4	174.4	-73.8	177.4	-176.9	-178.8	0	112.3	T720 R728 E814	T720-K724 HydrophobicContact CG2-CD 4.34Å; T720-K724 WeakPolarHBondContact O-CB 3.47Å; T720-K724 VanDerWaalsContact O-CG 3.28Å; T720-K724 WeakPolarHBondContact O-CG 3.37Å; T720-K724 PolarHBondContact O-N 2.9Å; K724-R728 VanDerWaalsContact O-CB 3.22Å; K724-R728 WeakPolarHBondContact O-CB 3.28Å; K724-R728 PolarHBondContact O-N 3.43Å; K724-R728 PolarHBondContact O-NH1 2.76Å; K724-E814 IonicContact NZ-OE1 3.93Å; K724-E814 PolarHBondContact NZ-OE1 3.44Å; K724-E814 IonicContact NZ-OE2 2.71Å; K724-E814 PolarHBondContact NZ-OE2 3.31Å
725	T	95.9	Very high	94.5	Very high	4 Å²	4	58.2 Å²	58.2	3%	0.025	28%	0.28	C	S	.	.	H	α-helix	trans	-78.8	-42.1	178.2	-63.2	0	0	0	0	112.7	D662 T665 L666 Y721 Q722 E723 R728 L729	D662-T725 HydrophobicContact CB-CG2 3.95Å; T665-T725 WeakPolarHBondContact CG2-OG1 3.31Å; L666-T725 HydrophobicContact CB-CG2 4.43Å; Y721-T725 WeakPolarHBondContact O-CB 3.38Å; Y721-T725 PolarHBondContact O-N 3.18Å; Y721-T725 PolarHBondContact O-OG1 3.46Å; Q722-T725 PolarHBondContact O-N 2.67Å; E723-T725 PolarHBondContact O-N 3.43Å; T725-R728 PolarHBondContact O-N 2.88Å; T725-R728 PolarHBondContact OG1-NH2 2.66Å; T725-L729 HydrophobicContact CG2-CD1 3.91Å; T725-L729 HydrophobicContact CG2-CG 4.42Å; T725-L729 WeakPolarHBondContact O-CB 3.48Å; T725-L729 VanDerWaalsContact O-CG 3.28Å; T725-L729 WeakPolarHBondContact O-CG 3.31Å; T725-L729 PolarHBondContact O-N 3.47Å
726	Y	96.2	Very high	94.5	Very high	32 Å²	32	58.2 Å²	58.2	13%	0.125	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-53.1	173.7	174	-110	0	0	0	111.1	Q722 E723 R728 L729 M730 F736 I740 F754 I755	Q722-Y726 WeakPolarHBondContact O-CB 3.43Å; Q722-Y726 PolarHBondContact O-N 3.19Å; E723-Y726 PolarHBondContact O-N 2.79Å; Y726-R728 VanDerWaalsContact C-N 3.33Å; Y726-R728 PolarHBondContact O-N 3.22Å; Y726-L729 PolarHBondContact O-N 2.87Å; Y726-M730 HydrophobicContact CD1-CG 4.42Å; Y726-M730 HydrophobicContact CD2-CG 3.89Å; Y726-M730 HydrophobicContact CD2-SD 4.49Å; Y726-M730 HydrophobicContact CE1-CG 4.05Å; Y726-M730 HydrophobicContact CE2-CG 3.45Å; Y726-M730 VanDerWaalsContact CE2-CG 3.45Å; Y726-M730 HydrophobicContact CE2-SD 3.7Å; Y726-M730 HydrophobicContact CG-CG 4.36Å; Y726-M730 WeakPolarHBondContact O-CB 3.43Å; Y726-M730 VanDerWaalsContact O-CG 3.31Å; Y726-M730 WeakPolarHBondContact O-CG 3.41Å; Y726-M730 PolarHBondContact O-N 2.93Å; Y726-F736 HydrophobicContact CD2-CE1 4.15Å; Y726-F736 HydrophobicContact CD2-CZ 4.27Å; Y726-F736 HydrophobicContact CE2-CE1 4.36Å; Y726-I740 HydrophobicContact CE2-CG2 4.29Å; Y726-F754 AromaticContact CD2-CD1 3.78Å; Y726-F754 HydrophobicContact CD2-CD1 3.78Å; Y726-F754 AromaticContact CD2-CE1 3.99Å; Y726-F754 HydrophobicContact CD2-CE1 3.99Å; Y726-F754 AromaticContact CE2-CD1 3.59Å; Y726-F754 HydrophobicContact CE2-CD1 3.59Å; Y726-F754 HydrophobicContact CE2-CE1 4.25Å; Y726-I755 HydrophobicContact CD1-CD1 4.1Å; Y726-I755 HydrophobicContact CE1-CB 4.23Å
727	S	96.1	Very high	94.6	Very high	53 Å²	53	58.6 Å²	58.6	37%	0.371	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-38.6	179.8	-61.5	0	0	0	0	112.4	E723 K731	E723-S727 WeakPolarHBondContact O-CB 3.45Å; E723-S727 PolarHBondContact O-N 3.44Å; E723-S727 PolarHBondContact O-OG 2.98Å; S727-K731 PolarHBondContact O-N 2.94Å
728	R	96.5	Very high	94.7	Very high	106 Å²	106	57.2 Å²	57.2	40%	0.4	29%	0.29	S	S	.	.	H	α-helix	trans	-59	-54.7	171.6	176.8	174.5	66.4	-99.1	4.5	111.1	D662 K724 T725 Y726 M730 K731 S732	D662-R728 IonicContact OD1-CZ 3.02Å; D662-R728 IonicContact OD1-NH2 2.67Å; D662-R728 PolarHBondContact OD1-NH2 3.15Å; K724-R728 VanDerWaalsContact O-CB 3.22Å; K724-R728 WeakPolarHBondContact O-CB 3.28Å; K724-R728 PolarHBondContact O-N 3.43Å; K724-R728 PolarHBondContact O-NH1 2.76Å; T725-R728 PolarHBondContact O-N 2.88Å; T725-R728 PolarHBondContact OG1-NH2 2.66Å; Y726-R728 VanDerWaalsContact C-N 3.33Å; Y726-R728 PolarHBondContact O-N 3.22Å; R728-M730 PolarHBondContact O-N 2.99Å; R728-K731 PolarHBondContact O-N 2.79Å; R728-S732 WeakPolarHBondContact O-CB 3.48Å; R728-S732 PolarHBondContact O-N 3.2Å; R728-S732 PolarHBondContact O-OG 2.74Å
729	L	96.2	Very high	94.9	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-38.7	-177.4	-70.8	169.5	0	0	0	112.5	I658 D662 T725 Y726 K731 S732 N733 F736	I658-L729 HydrophobicContact CG2-CD1 4.05Å; I658-L729 HydrophobicContact CG2-CD2 4.36Å; D662-L729 HydrophobicContact CB-CD1 4.28Å; T725-L729 HydrophobicContact CG2-CD1 3.91Å; T725-L729 HydrophobicContact CG2-CG 4.42Å; T725-L729 WeakPolarHBondContact O-CB 3.48Å; T725-L729 VanDerWaalsContact O-CG 3.28Å; T725-L729 WeakPolarHBondContact O-CG 3.31Å; T725-L729 PolarHBondContact O-N 3.47Å; Y726-L729 PolarHBondContact O-N 2.87Å; L729-K731 VanDerWaalsContact C-N 3.31Å; L729-K731 PolarHBondContact O-N 3.12Å; L729-S732 PolarHBondContact O-N 3.07Å; L729-N733 HydrophobicContact CD2-CB 4.45Å; L729-N733 WeakPolarHBondContact O-CA 3.43Å; L729-N733 WeakPolarHBondContact O-CB 3.37Å; L729-N733 PolarHBondContact O-N 3.07Å; L729-F736 HydrophobicContact CB-CD1 3.49Å; L729-F736 VanDerWaalsContact CB-CD1 3.49Å; L729-F736 HydrophobicContact CB-CE1 3.52Å; L729-F736 HydrophobicContact CB-CG 4.11Å; L729-F736 HydrophobicContact CB-CZ 4.17Å; L729-F736 HydrophobicContact CD1-CD2 4.45Å; L729-F736 HydrophobicContact CD1-CE1 4.18Å; L729-F736 HydrophobicContact CD1-CE2 4.1Å; L729-F736 HydrophobicContact CD1-CZ 3.95Å
730	M	95.6	Very high	95.1	Very high	49 Å²	49	54.7 Å²	54.7	24%	0.241	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-31.6	176.3	-69.7	-60.7	-66.8	0	0	112.8	Y726 R728 F736 A737 I740	Y726-M730 HydrophobicContact CD1-CG 4.42Å; Y726-M730 HydrophobicContact CD2-CG 3.89Å; Y726-M730 HydrophobicContact CD2-SD 4.49Å; Y726-M730 HydrophobicContact CE1-CG 4.05Å; Y726-M730 HydrophobicContact CE2-CG 3.45Å; Y726-M730 VanDerWaalsContact CE2-CG 3.45Å; Y726-M730 HydrophobicContact CE2-SD 3.7Å; Y726-M730 HydrophobicContact CG-CG 4.36Å; Y726-M730 WeakPolarHBondContact O-CB 3.43Å; Y726-M730 VanDerWaalsContact O-CG 3.31Å; Y726-M730 WeakPolarHBondContact O-CG 3.41Å; Y726-M730 PolarHBondContact O-N 2.93Å; R728-M730 PolarHBondContact O-N 2.99Å; M730-F736 HydrophobicContact CG-CE1 4.12Å; M730-F736 HydrophobicContact SD-CD1 3.91Å; M730-F736 HydrophobicContact SD-CE1 3.73Å; M730-A737 HydrophobicContact CE-CB 3.91Å; M730-A737 HydrophobicContact SD-CB 4.02Å; M730-I740 HydrophobicContact CE-CG2 4.36Å; M730-I740 HydrophobicContact SD-CB 4.14Å; M730-I740 HydrophobicContact SD-CG1 4.37Å; M730-I740 HydrophobicContact SD-CG2 4.06Å
731	K	95.8	Very high	95.5	Very high	158 Å²	158	55.8 Å²	55.8	69%	0.687	28%	0.282	S	S	*	.	H	α-helix	trans	-83.1	-36.1	173.7	-73.4	-157.3	-179.9	-163.4	0	113.5	E148 S727 R728 L729	E148-K731 IonicContact OE1-NZ 2.77Å; E148-K731 PolarHBondContact OE1-NZ 2.72Å; S727-K731 PolarHBondContact O-N 2.94Å; R728-K731 PolarHBondContact O-N 2.79Å; L729-K731 VanDerWaalsContact C-N 3.31Å; L729-K731 PolarHBondContact O-N 3.12Å
732	S	95.5	Very high	95.6	Very high	90 Å²	90	57.5 Å²	57.5	63%	0.629	29%	0.288	S	S	*	.	H	α-helix	trans	-105	-8.5	-168.9	73.5	0	0	0	0	116.1	R728 L729	R728-S732 WeakPolarHBondContact O-CB 3.48Å; R728-S732 PolarHBondContact O-N 3.2Å; R728-S732 PolarHBondContact O-OG 2.74Å; L729-S732 PolarHBondContact O-N 3.07Å
733	N	96.2	Very high	95.6	Very high	37 Å²	37	57.7 Å²	57.7	20%	0.198	29%	0.289	C	S	.	.			trans	-134.7	90.3	-175.7	-175.7	-15.4	0	0	0	110.8	T657 L729 Q735 F736 A737	T657-N733 PolarHBondContact O-ND2 3.07Å; L729-N733 HydrophobicContact CD2-CB 4.45Å; L729-N733 WeakPolarHBondContact O-CA 3.43Å; L729-N733 WeakPolarHBondContact O-CB 3.37Å; L729-N733 PolarHBondContact O-N 3.07Å; N733-Q735 PolarHBondContact O-N 2.72Å; N733-Q735 PolarHBondContact OD1-N 3.18Å; N733-F736 HydrophobicContact CB-CB 3.98Å; N733-F736 PolarHBondContact O-N 3.34Å; N733-F736 PolarHBondContact OD1-N 3.36Å; N733-A737 PolarHBondContact O-N 3.26Å
734	E	96.3	Very high	95.8	Very high	161 Å²	161	57.6 Å²	57.6	75%	0.752	29%	0.288	S	S	*	.	H	α-helix	trans	-54.7	-35.3	180	-61.6	-179.4	165.8	0	0	113.2	A737 A738	E734-A737 PolarHBondContact O-N 2.95Å; E734-A738 VanDerWaalsContact O-CB 3.26Å; E734-A738 WeakPolarHBondContact O-CB 3.43Å; E734-A738 PolarHBondContact O-N 2.82Å
735	Q	96.4	Very high	95.7	Very high	124 Å²	124	60.9 Å²	60.9	58%	0.579	31%	0.305	S	S	*	.	H	α-helix	trans	-70.4	-44.1	-179.4	-60	-62.4	-56.5	0	0	111.1	T657 N733 A738 V739	T657-Q735 HydrophobicContact CG2-CB 3.68Å; N733-Q735 PolarHBondContact O-N 2.72Å; N733-Q735 PolarHBondContact OD1-N 3.18Å; Q735-A738 PolarHBondContact O-N 2.73Å; Q735-V739 WeakPolarHBondContact O-CG2 3.29Å; Q735-V739 PolarHBondContact O-N 3.08Å
736	F	97.2	Very high	95.6	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-47.3	171.7	173.8	-96.3	0	0	0	111.2	L654 I658 L666 Y726 L729 M730 N733 A738 V739 I740	L654-F736 HydrophobicContact CD1-CD2 3.53Å; L654-F736 HydrophobicContact CD1-CE2 3.63Å; L654-F736 HydrophobicContact CD1-CG 4.49Å; L654-F736 HydrophobicContact CG-CD2 4.42Å; L654-F736 HydrophobicContact CG-CE2 4.3Å; I658-F736 HydrophobicContact CG2-CB 4.47Å; I658-F736 HydrophobicContact CG2-CD2 3.32Å; I658-F736 HydrophobicContact CG2-CE2 3.76Å; I658-F736 HydrophobicContact CG2-CG 4.14Å; L666-F736 HydrophobicContact CD2-CE2 4.11Å; L666-F736 HydrophobicContact CD2-CZ 3.97Å; Y726-F736 HydrophobicContact CD2-CE1 4.15Å; Y726-F736 HydrophobicContact CD2-CZ 4.27Å; Y726-F736 HydrophobicContact CE2-CE1 4.36Å; L729-F736 HydrophobicContact CB-CD1 3.49Å; L729-F736 VanDerWaalsContact CB-CD1 3.49Å; L729-F736 HydrophobicContact CB-CE1 3.52Å; L729-F736 HydrophobicContact CB-CG 4.11Å; L729-F736 HydrophobicContact CB-CZ 4.17Å; L729-F736 HydrophobicContact CD1-CD2 4.45Å; L729-F736 HydrophobicContact CD1-CE1 4.18Å; L729-F736 HydrophobicContact CD1-CE2 4.1Å; L729-F736 HydrophobicContact CD1-CZ 3.95Å; M730-F736 HydrophobicContact CG-CE1 4.12Å; M730-F736 HydrophobicContact SD-CD1 3.91Å; M730-F736 HydrophobicContact SD-CE1 3.73Å; N733-F736 HydrophobicContact CB-CB 3.98Å; N733-F736 PolarHBondContact O-N 3.34Å; N733-F736 PolarHBondContact OD1-N 3.36Å; F736-A738 PolarHBondContact O-N 3.34Å; F736-V739 PolarHBondContact O-N 2.96Å; F736-I740 HydrophobicContact CD1-CG1 4.16Å; F736-I740 HydrophobicContact CD2-CG1 4.28Å; F736-I740 HydrophobicContact CE1-CG1 3.79Å; F736-I740 HydrophobicContact CE2-CD1 4.18Å; F736-I740 HydrophobicContact CE2-CG1 3.94Å; F736-I740 HydrophobicContact CG-CG1 4.41Å; F736-I740 HydrophobicContact CZ-CD1 4.04Å; F736-I740 HydrophobicContact CZ-CG1 3.68Å; F736-I740 WeakPolarHBondContact O-CB 3.48Å; F736-I740 WeakPolarHBondContact O-CG1 3.33Å; F736-I740 PolarHBondContact O-N 3.01Å
737	A	96.6	Very high	95.2	Very high	13 Å²	13	67.5 Å²	67.5	11%	0.107	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-43.6	179.4	0	0	0	0	0	112.4	M730 N733 E734 I740 N741	M730-A737 HydrophobicContact CE-CB 3.91Å; M730-A737 HydrophobicContact SD-CB 4.02Å; N733-A737 PolarHBondContact O-N 3.26Å; E734-A737 PolarHBondContact O-N 2.95Å; A737-I740 PolarHBondContact O-N 3.15Å; A737-N741 VanDerWaalsContact O-CB 3.32Å; A737-N741 WeakPolarHBondContact O-CB 3.4Å; A737-N741 PolarHBondContact O-N 2.86Å; A737-N741 PolarHBondContact O-ND2 3.15Å
738	A	96.8	Very high	94.9	Very high	56 Å²	56	69.8 Å²	69.8	46%	0.463	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-43.2	176.3	0	0	0	0	0	112.3	E734 Q735 F736 R742	E734-A738 VanDerWaalsContact O-CB 3.26Å; E734-A738 WeakPolarHBondContact O-CB 3.43Å; E734-A738 PolarHBondContact O-N 2.82Å; Q735-A738 PolarHBondContact O-N 2.73Å; F736-A738 PolarHBondContact O-N 3.34Å; A738-R742 WeakPolarHBondContact O-CB 3.04Å; A738-R742 PolarHBondContact O-N 3.16Å
739	V	96.9	Very high	94.4	Very high	13 Å²	13	64.7 Å²	64.7	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-67.3	-45	177.2	176.2	0	0	0	0	111.2	E653 L654 T657 Q735 F736 N741 R742 L743	E653-V739 HydrophobicContact CB-CG1 4.2Å; E653-V739 HydrophobicContact CB-CG2 4.18Å; L654-V739 HydrophobicContact CB-CG1 3.95Å; L654-V739 HydrophobicContact CD1-CB 4.21Å; L654-V739 HydrophobicContact CD1-CG1 3.85Å; T657-V739 HydrophobicContact CG2-CG2 4.4Å; Q735-V739 WeakPolarHBondContact O-CG2 3.29Å; Q735-V739 PolarHBondContact O-N 3.08Å; F736-V739 PolarHBondContact O-N 2.96Å; V739-N741 PolarHBondContact O-N 3.31Å; V739-R742 PolarHBondContact O-N 3.43Å; V739-L743 HydrophobicContact CG1-CD1 3.74Å; V739-L743 HydrophobicContact CG1-CG 4.13Å; V739-L743 WeakPolarHBondContact O-CB 3.29Å; V739-L743 VanDerWaalsContact O-CG 3.24Å; V739-L743 WeakPolarHBondContact O-CG 3.41Å; V739-L743 PolarHBondContact O-N 2.93Å
740	I	96	Very high	94	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-58.5	-49.1	175.8	-73.1	-64.7	0	0	0	111.3	F648 L654 Y726 M730 F736 A737 R742 L743 Q744 F754	F648-I740 HydrophobicContact CD1-CD1 4.22Å; F648-I740 HydrophobicContact CE1-CD1 4.46Å; L654-I740 HydrophobicContact CD1-CD1 3.59Å; L654-I740 HydrophobicContact CD1-CG1 3.76Å; L654-I740 HydrophobicContact CD2-CD1 3.87Å; L654-I740 HydrophobicContact CG-CD1 4.41Å; Y726-I740 HydrophobicContact CE2-CG2 4.29Å; M730-I740 HydrophobicContact CE-CG2 4.36Å; M730-I740 HydrophobicContact SD-CB 4.14Å; M730-I740 HydrophobicContact SD-CG1 4.37Å; M730-I740 HydrophobicContact SD-CG2 4.06Å; F736-I740 HydrophobicContact CD1-CG1 4.16Å; F736-I740 HydrophobicContact CD2-CG1 4.28Å; F736-I740 HydrophobicContact CE1-CG1 3.79Å; F736-I740 HydrophobicContact CE2-CD1 4.18Å; F736-I740 HydrophobicContact CE2-CG1 3.94Å; F736-I740 HydrophobicContact CG-CG1 4.41Å; F736-I740 HydrophobicContact CZ-CD1 4.04Å; F736-I740 HydrophobicContact CZ-CG1 3.68Å; F736-I740 WeakPolarHBondContact O-CB 3.48Å; F736-I740 WeakPolarHBondContact O-CG1 3.33Å; F736-I740 PolarHBondContact O-N 3.01Å; A737-I740 PolarHBondContact O-N 3.15Å; I740-R742 VanDerWaalsContact C-N 3.35Å; I740-R742 PolarHBondContact O-N 3.08Å; I740-L743 PolarHBondContact O-N 3.45Å; I740-L743 VanDerWaalsContact O-N 3.13Å; I740-Q744 WeakPolarHBondContact O-CG 3.2Å; I740-Q744 PolarHBondContact O-N 3.5Å; I740-F754 HydrophobicContact CD1-CD1 3.96Å; I740-F754 HydrophobicContact CD1-CD2 4.38Å; I740-F754 HydrophobicContact CD1-CE1 4.23Å; I740-F754 HydrophobicContact CD1-CG 4.02Å; I740-F754 HydrophobicContact CG2-CB 4.12Å
741	N	95.1	Very high	93.4	Very high	71 Å²	71	77.1 Å²	77.1	38%	0.38	38%	0.38	S	S	.	.	H	α-helix	trans	-59.4	-45.9	-179.8	-74.7	-26.2	0	0	0	111.3	A737 V739 L743 Q744 E745	A737-N741 VanDerWaalsContact O-CB 3.32Å; A737-N741 WeakPolarHBondContact O-CB 3.4Å; A737-N741 PolarHBondContact O-N 2.86Å; A737-N741 PolarHBondContact O-ND2 3.15Å; V739-N741 PolarHBondContact O-N 3.31Å; N741-L743 VanDerWaalsContact C-N 3.34Å; N741-L743 PolarHBondContact O-N 3.49Å; N741-Q744 WeakPolarHBondContact O-CG 3.34Å; N741-Q744 PolarHBondContact OD1-NE2 3.11Å; N741-Q744 VanDerWaalsContact OD1-NE2 3.13Å; N741-E745 WeakPolarHBondContact O-CG 3.16Å; N741-E745 PolarHBondContact O-N 3.19Å
742	R	95.1	Very high	93	Very high	106 Å²	106	70.6 Å²	70.6	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-35.2	175.6	-164.9	-166.1	73	-167.2	3.9	112.8	E653 A738 V739 I740	E653-R742 IonicContact OE1-CZ 3.42Å; E653-R742 IonicContact OE1-NH1 2.74Å; E653-R742 IonicContact OE1-NH2 3.4Å; E653-R742 PolarHBondContact OE1-NH2 2.96Å; E653-R742 IonicContact OE2-CZ 2.71Å; E653-R742 IonicContact OE2-NH1 2.75Å; E653-R742 PolarHBondContact OE2-NH1 3.32Å; E653-R742 IonicContact OE2-NH2 3.74Å; E653-R742 PolarHBondContact OE2-NH2 3.01Å; E653-R742 VanDerWaalsContact OE2-NH2 3.08Å; A738-R742 WeakPolarHBondContact O-CB 3.04Å; A738-R742 PolarHBondContact O-N 3.16Å; V739-R742 PolarHBondContact O-N 3.43Å; I740-R742 VanDerWaalsContact C-N 3.35Å; I740-R742 PolarHBondContact O-N 3.08Å
743	L	94.2	Very high	92.7	Very high	4 Å²	4	69.2 Å²	69.2	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-74.5	-36.8	-178.7	-74.4	177.2	0	0	0	113.1	H647 F648 N651 L654 V739 I740 N741 E745 L746 C749	H647-L743 PolarHBondContact NE2-O 3.39Å; F648-L743 HydrophobicContact CD1-CB 4.08Å; F648-L743 HydrophobicContact CD1-CD1 4Å; F648-L743 HydrophobicContact CE1-CB 3.64Å; F648-L743 HydrophobicContact CE1-CD1 4.42Å; F648-L743 HydrophobicContact CZ-CB 4.48Å; N651-L743 HydrophobicContact CB-CD1 4.26Å; L654-L743 HydrophobicContact CB-CD1 4.39Å; L654-L743 HydrophobicContact CD2-CD1 4.5Å; V739-L743 HydrophobicContact CG1-CD1 3.74Å; V739-L743 HydrophobicContact CG1-CG 4.13Å; V739-L743 WeakPolarHBondContact O-CB 3.29Å; V739-L743 VanDerWaalsContact O-CG 3.24Å; V739-L743 WeakPolarHBondContact O-CG 3.41Å; V739-L743 PolarHBondContact O-N 2.93Å; I740-L743 PolarHBondContact O-N 3.45Å; I740-L743 VanDerWaalsContact O-N 3.13Å; N741-L743 VanDerWaalsContact C-N 3.34Å; N741-L743 PolarHBondContact O-N 3.49Å; L743-E745 VanDerWaalsContact C-N 3.34Å; L743-L746 HydrophobicContact CD2-CD1 4.02Å; L743-L746 WeakPolarHBondContact O-CB 3.43Å; L743-L746 PolarHBondContact O-N 2.97Å; L743-C749 PolarHBondContact O-SG 3.44Å; L743-C749 VanDerWaalsContact O-SG 3.41Å
744	Q	94.1	Very high	92.6	Very high	37 Å²	37	67.4 Å²	67.4	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-77.3	-17.9	179.9	70	-170.5	-3.3	0	0	113.9	F648 I740 N741 L746	F648-Q744 HydrophobicContact CZ-CB 4.36Å; I740-Q744 WeakPolarHBondContact O-CG 3.2Å; I740-Q744 PolarHBondContact O-N 3.5Å; N741-Q744 WeakPolarHBondContact O-CG 3.34Å; N741-Q744 PolarHBondContact OD1-NE2 3.11Å; N741-Q744 VanDerWaalsContact OD1-NE2 3.13Å; Q744-L746 VanDerWaalsContact C-N 3.3Å
745	E	91.6	Very high	92.3	Very high	157 Å²	157	61.9 Å²	61.9	73%	0.734	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-19.3	170.1	-74.5	177.9	172	0	0	113.4	N741 L743	N741-E745 WeakPolarHBondContact O-CG 3.16Å; N741-E745 PolarHBondContact O-N 3.19Å; L743-E745 VanDerWaalsContact C-N 3.34Å
746	L	92.4	Very high	92	Very high	67 Å²	67	57 Å²	57	35%	0.351	29%	0.287	S	S	.	.	S	Bend	trans	-72.4	148.6	-175.7	-68	171.8	0	0	0	112.4	L743 Q744 Q748 C749	L743-L746 HydrophobicContact CD2-CD1 4.02Å; L743-L746 WeakPolarHBondContact O-CB 3.43Å; L743-L746 PolarHBondContact O-N 2.97Å; Q744-L746 VanDerWaalsContact C-N 3.3Å; L746-Q748 PolarHBondContact O-N 2.96Å; L746-C749 PolarHBondContact O-N 3.36Å
747	P	88.9	Confident	91.9	Very high	108 Å²	108	57 Å²	57	70%	0.701	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-55	-30.5	-173.9	-28.2	36	0	0	0	115.2	C749 Q750	P747-C749 PolarHBondContact O-N 2.94Å; P747-C749 VanDerWaalsContact O-N 3.16Å; P747-Q750 PolarHBondContact O-N 3.33Å
748	Q	88.8	Confident	91.8	Very high	101 Å²	101	56.3 Å²	56.3	47%	0.472	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-51.8	-34.2	175.3	-69	87.5	-34.8	0	0	112.9	L746	L746-Q748 PolarHBondContact O-N 2.96Å
749	C	87.8	Confident	91.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-87.9	-8.2	-178.1	-60.8	0	0	0	0	113.4	H647 F648 L743 L746 P747 R751 L752 F757	H647-C749 VanDerWaalsContact CD2-SG 3.6Å; F648-C749 VanDerWaalsContact CE2-SG 3.57Å; F648-C749 WeakPolarHBondContact CZ-SG 3.45Å; L743-C749 PolarHBondContact O-SG 3.44Å; L743-C749 VanDerWaalsContact O-SG 3.41Å; L746-C749 PolarHBondContact O-N 3.36Å; P747-C749 PolarHBondContact O-N 2.94Å; P747-C749 VanDerWaalsContact O-N 3.16Å; C749-R751 PolarHBondContact O-N 2.73Å; C749-R751 VanDerWaalsContact O-N 3.08Å; C749-L752 VanDerWaalsContact O-CB 3.25Å; C749-L752 WeakPolarHBondContact O-CB 3.01Å; C749-L752 WeakPolarHBondContact O-CG 3.35Å; C749-L752 PolarHBondContact O-N 3.5Å; C749-F757 HydrophobicContact CB-CE2 4.32Å; C749-F757 HydrophobicContact CB-CZ 4.32Å
750	Q	86.2	Confident	91.2	Very high	79 Å²	79	55.1 Å²	55.1	37%	0.369	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	32.8	-176.8	-55.9	-175.8	-11.3	0	0	114	L536 P747 L752	L536-Q750 HydrophobicContact CD1-CB 4Å; L536-Q750 HydrophobicContact CD1-CG 3.81Å; L536-Q750 HydrophobicContact CG-CG 4.09Å; P747-Q750 PolarHBondContact O-N 3.33Å; Q750-L752 VanDerWaalsContact C-N 3.27Å; Q750-L752 PolarHBondContact O-N 2.86Å
751	R	84.6	Confident	91.2	Very high	237 Å²	237	55.1 Å²	55.1	89%	0.894	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	16.1	-173.3	-50.7	-178.7	176.9	-165.9	-2.4	115.9	C749	C749-R751 PolarHBondContact O-N 2.73Å; C749-R751 VanDerWaalsContact O-N 3.08Å
752	L	86.1	Confident	91	Very high	22 Å²	22	55.7 Å²	55.7	12%	0.115	27%	0.266	C	S	.	.			trans	-79.6	135	171	-61.4	172.1	0	0	0	110.2	L536 Q538 C749 Q750 F757	L536-L752 HydrophobicContact CB-CD1 4.03Å; L536-L752 HydrophobicContact CD1-CD1 3.82Å; Q538-L752 HydrophobicContact CB-CD1 3.82Å; Q538-L752 HydrophobicContact CB-CD2 4.33Å; Q538-L752 HydrophobicContact CG-CD1 4.22Å; C749-L752 VanDerWaalsContact O-CB 3.25Å; C749-L752 WeakPolarHBondContact O-CB 3.01Å; C749-L752 WeakPolarHBondContact O-CG 3.35Å; C749-L752 PolarHBondContact O-N 3.5Å; Q750-L752 VanDerWaalsContact C-N 3.27Å; Q750-L752 PolarHBondContact O-N 2.86Å; L752-F757 HydrophobicContact CB-CE2 3.72Å; L752-F757 HydrophobicContact CB-CZ 3.99Å; L752-F757 HydrophobicContact CD1-CZ 4.12Å
753	P	89.6	Confident	90.7	Very high	60 Å²	60	53.5 Å²	53.5	39%	0.39	26%	0.26	S	S	.	.			trans	-73.5	151	179.9	31.2	-35.6	0	0	0	111.2	I755 S756	P753-I755 VanDerWaalsContact C-N 3.27Å; P753-I755 HydrophobicContact CB-CG2 4.41Å; P753-I755 HydrophobicContact CG-CG2 4.33Å; P753-I755 PolarHBondContact O-N 2.76Å; P753-I755 VanDerWaalsContact O-N 3.12Å; P753-S756 WeakPolarHBondContact O-CB 3.35Å; P753-S756 PolarHBondContact O-N 3.31Å; P753-S756 PolarHBondContact O-OG 3.1Å
754	F	93.4	Very high	90.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-41	-175.3	173.5	-114.1	0	0	0	113.9	L644 F648 L666 F667 Y726 I740 S756 F757 L758	L644-F754 HydrophobicContact CD1-CE2 3.72Å; L644-F754 HydrophobicContact CD1-CZ 4.38Å; F648-F754 HydrophobicContact CB-CD2 4.13Å; F648-F754 HydrophobicContact CB-CE2 3.69Å; F648-F754 AromaticContact CD1-CD2 3.44Å; F648-F754 HydrophobicContact CD1-CD2 3.44Å; F648-F754 VanDerWaalsContact CD1-CD2 3.44Å; F648-F754 AromaticContact CD1-CE2 3.85Å; F648-F754 HydrophobicContact CD1-CE2 3.85Å; F648-F754 HydrophobicContact CD1-CG 4.29Å; F648-F754 AromaticContact CD2-CD2 3.77Å; F648-F754 HydrophobicContact CD2-CD2 3.77Å; F648-F754 HydrophobicContact CD2-CE2 4.09Å; F648-F754 HydrophobicContact CE1-CB 4.08Å; F648-F754 AromaticContact CE1-CD2 3.61Å; F648-F754 HydrophobicContact CE1-CD2 3.61Å; F648-F754 HydrophobicContact CE1-CE2 4.46Å; F648-F754 HydrophobicContact CE1-CG 4.16Å; F648-F754 AromaticContact CE2-CD2 3.91Å; F648-F754 HydrophobicContact CE2-CD2 3.91Å; F648-F754 AromaticContact CG-CD2 3.52Å; F648-F754 HydrophobicContact CG-CD2 3.52Å; F648-F754 AromaticContact CG-CE2 3.63Å; F648-F754 HydrophobicContact CG-CE2 3.63Å; F648-F754 HydrophobicContact CZ-CB 4.16Å; F648-F754 AromaticContact CZ-CD2 3.84Å; F648-F754 HydrophobicContact CZ-CD2 3.84Å; F648-F754 HydrophobicContact CZ-CG 4.46Å; L666-F754 HydrophobicContact CD1-CE1 4.24Å; L666-F754 HydrophobicContact CD2-CE1 4.2Å; L666-F754 HydrophobicContact CD2-CZ 4.3Å; L666-F754 HydrophobicContact CG-CE1 4.41Å; L666-F754 HydrophobicContact CG-CZ 4.46Å; F667-F754 HydrophobicContact CE1-CE2 4.03Å; F667-F754 AromaticContact CE1-CZ 3.82Å; F667-F754 HydrophobicContact CE1-CZ 3.82Å; F667-F754 HydrophobicContact CZ-CE2 4.33Å; F667-F754 AromaticContact CZ-CZ 3.94Å; F667-F754 HydrophobicContact CZ-CZ 3.94Å; Y726-F754 AromaticContact CD2-CD1 3.78Å; Y726-F754 HydrophobicContact CD2-CD1 3.78Å; Y726-F754 AromaticContact CD2-CE1 3.99Å; Y726-F754 HydrophobicContact CD2-CE1 3.99Å; Y726-F754 AromaticContact CE2-CD1 3.59Å; Y726-F754 HydrophobicContact CE2-CD1 3.59Å; Y726-F754 HydrophobicContact CE2-CE1 4.25Å; I740-F754 HydrophobicContact CD1-CD1 3.96Å; I740-F754 HydrophobicContact CD1-CD2 4.38Å; I740-F754 HydrophobicContact CD1-CE1 4.23Å; I740-F754 HydrophobicContact CD1-CG 4.02Å; I740-F754 HydrophobicContact CG2-CB 4.12Å; F754-S756 PolarHBondContact O-N 2.79Å; F754-F757 WeakPolarHBondContact O-CB 3.43Å; F754-F757 PolarHBondContact O-N 2.86Å; F754-L758 HydrophobicContact CD1-CD1 4.27Å; F754-L758 HydrophobicContact CE1-CD1 3.65Å; F754-L758 HydrophobicContact CE1-CG 4.14Å; F754-L758 HydrophobicContact CZ-CD1 4.01Å; F754-L758 HydrophobicContact CZ-CD2 4.09Å; F754-L758 HydrophobicContact CZ-CG 4.06Å; F754-L758 PolarHBondContact O-N 3.14Å
755	I	91.1	Very high	90.8	Very high	45 Å²	45	51.6 Å²	51.6	23%	0.231	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-29.6	179.1	-167.2	61	0	0	0	113.5	E723 Y726 P753 F757 L758 L759	E723-I755 HydrophobicContact CG-CD1 3.97Å; Y726-I755 HydrophobicContact CD1-CD1 4.1Å; Y726-I755 HydrophobicContact CE1-CB 4.23Å; P753-I755 VanDerWaalsContact C-N 3.27Å; P753-I755 HydrophobicContact CB-CG2 4.41Å; P753-I755 HydrophobicContact CG-CG2 4.33Å; P753-I755 PolarHBondContact O-N 2.76Å; P753-I755 VanDerWaalsContact O-N 3.12Å; I755-F757 PolarHBondContact O-N 3.46Å; I755-L758 HydrophobicContact CD1-CB 4.41Å; I755-L758 HydrophobicContact CD1-CD1 3.99Å; I755-L758 PolarHBondContact O-N 3.25Å; I755-L759 PolarHBondContact O-N 3.27Å
756	S	90.1	Very high	90.6	Very high	20 Å²	20	46.3 Å²	46.3	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-71.8	-14.6	176.4	73.8	0	0	0	0	113.6	Q538 P753 F754	Q538-S756 PolarHBondContact NE2-O 3.4Å; P753-S756 WeakPolarHBondContact O-CB 3.35Å; P753-S756 PolarHBondContact O-N 3.31Å; P753-S756 PolarHBondContact O-OG 3.1Å; F754-S756 PolarHBondContact O-N 2.79Å
757	F	94.5	Very high	90.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-84.4	-37.8	169.3	-66.1	-90.9	0	0	0	111	L536 Q538 V643 L644 F648 C749 L752 F754 I755 L759 L760	L536-F757 HydrophobicContact CD1-CE1 4.03Å; L536-F757 HydrophobicContact CD1-CZ 3.86Å; Q538-F757 VanDerWaalsContact NE2-CD1 3.33Å; V643-F757 HydrophobicContact CB-CD1 4.23Å; V643-F757 HydrophobicContact CB-CE1 3.79Å; V643-F757 HydrophobicContact CG1-CD1 4.09Å; V643-F757 HydrophobicContact CG1-CE1 3.55Å; V643-F757 HydrophobicContact CG1-CZ 3.83Å; L644-F757 HydrophobicContact CB-CB 4.16Å; L644-F757 HydrophobicContact CD1-CB 3.99Å; L644-F757 HydrophobicContact CD2-CB 4.41Å; L644-F757 WeakPolarHBondContact CD2-O 3.12Å; L644-F757 HydrophobicContact CG-CB 4.41Å; F648-F757 HydrophobicContact CE2-CD2 4.15Å; F648-F757 HydrophobicContact CE2-CE2 4.3Å; C749-F757 HydrophobicContact CB-CE2 4.32Å; C749-F757 HydrophobicContact CB-CZ 4.32Å; L752-F757 HydrophobicContact CB-CE2 3.72Å; L752-F757 HydrophobicContact CB-CZ 3.99Å; L752-F757 HydrophobicContact CD1-CZ 4.12Å; F754-F757 WeakPolarHBondContact O-CB 3.43Å; F754-F757 PolarHBondContact O-N 2.86Å; I755-F757 PolarHBondContact O-N 3.46Å; F757-L759 VanDerWaalsContact C-N 3.27Å; F757-L759 PolarHBondContact O-N 3.08Å; F757-L760 HydrophobicContact CB-CD1 4.2Å; F757-L760 HydrophobicContact CD1-CD1 4.03Å; F757-L760 WeakPolarHBondContact O-CB 3.47Å; F757-L760 VanDerWaalsContact O-CD1 3.28Å; F757-L760 WeakPolarHBondContact O-CD1 3.26Å; F757-L760 WeakPolarHBondContact O-CG 3.48Å; F757-L760 PolarHBondContact O-N 2.92Å; F757-L760 VanDerWaalsContact O-N 3.16Å
758	L	93.8	Very high	90.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-34.7	177.7	-68.6	175.9	0	0	0	112.8	L644 L666 Y715 Q719 F754 I755 L760 P761	L644-L758 HydrophobicContact CD1-CD2 4Å; L644-L758 HydrophobicContact CD2-CD2 4.42Å; L666-L758 HydrophobicContact CD1-CD1 3.82Å; L666-L758 WeakPolarHBondContact O-CD2 3.47Å; Y715-L758 VanDerWaalsContact CE1-O 3.29Å; Y715-L758 WeakPolarHBondContact CE1-O 3.38Å; Y715-L758 PolarHBondContact OH-O 3.17Å; Q719-L758 PolarHBondContact OE1-O 2.93Å; F754-L758 HydrophobicContact CD1-CD1 4.27Å; F754-L758 HydrophobicContact CE1-CD1 3.65Å; F754-L758 HydrophobicContact CE1-CG 4.14Å; F754-L758 HydrophobicContact CZ-CD1 4.01Å; F754-L758 HydrophobicContact CZ-CD2 4.09Å; F754-L758 HydrophobicContact CZ-CG 4.06Å; F754-L758 PolarHBondContact O-N 3.14Å; I755-L758 HydrophobicContact CD1-CB 4.41Å; I755-L758 HydrophobicContact CD1-CD1 3.99Å; I755-L758 PolarHBondContact O-N 3.25Å; L758-L760 PolarHBondContact O-N 3.28Å; L758-P761 WeakPolarHBondContact O-CD 3.13Å
759	L	90.5	Very high	90.5	Very high	43 Å²	43	37.3 Å²	37.3	23%	0.225	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-10.3	177.9	-71.3	163.7	0	0	0	114.9	Q719 I755 F757 F762 Q763	Q719-L759 HydrophobicContact CG-CD2 4.45Å; I755-L759 PolarHBondContact O-N 3.27Å; F757-L759 VanDerWaalsContact C-N 3.27Å; F757-L759 PolarHBondContact O-N 3.08Å; L759-F762 PolarHBondContact O-N 3.27Å; L759-Q763 WeakPolarHBondContact O-CG 3.46Å; L759-Q763 PolarHBondContact O-N 2.9Å
760	L	92.4	Very high	90.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-51.3	-46.7	-172.9	-81.5	169.4	0	0	0	114.5	Y537 Q538 Y637 L641 F757 L758 F762 Q763 R764	Y537-L760 HydrophobicContact CD1-CD2 3.57Å; Y537-L760 HydrophobicContact CE1-CD2 4.44Å; Y537-L760 HydrophobicContact CG-CD2 4.22Å; Q538-L760 HydrophobicContact CG-CD2 4.04Å; Y637-L760 HydrophobicContact CD2-CD2 4.27Å; Y637-L760 HydrophobicContact CE2-CB 3.9Å; Y637-L760 HydrophobicContact CE2-CD2 4.31Å; L641-L760 HydrophobicContact CD2-CB 4.23Å; L641-L760 HydrophobicContact CD2-CD1 4.12Å; F757-L760 HydrophobicContact CB-CD1 4.2Å; F757-L760 HydrophobicContact CD1-CD1 4.03Å; F757-L760 WeakPolarHBondContact O-CB 3.47Å; F757-L760 VanDerWaalsContact O-CD1 3.28Å; F757-L760 WeakPolarHBondContact O-CD1 3.26Å; F757-L760 WeakPolarHBondContact O-CG 3.48Å; F757-L760 PolarHBondContact O-N 2.92Å; F757-L760 VanDerWaalsContact O-N 3.16Å; L758-L760 PolarHBondContact O-N 3.28Å; L760-F762 PolarHBondContact O-N 3.13Å; L760-Q763 PolarHBondContact O-N 3.08Å; L760-R764 PolarHBondContact O-N 3.44Å
761	P	95.4	Very high	90.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68	-34.3	-174.6	-24.8	39.4	0	0	0	113.4	Y637 I670 V673 Y712 Y715 L758 R764 I765	Y637-P761 WeakPolarHBondContact OH-CA 3.44Å; I670-P761 HydrophobicContact CD1-CG 3.77Å; V673-P761 HydrophobicContact CG1-CB 4.13Å; V673-P761 HydrophobicContact CG1-CG 4.12Å; Y712-P761 HydrophobicContact CD1-CB 3.69Å; Y712-P761 VanDerWaalsContact CD1-O 3.3Å; Y712-P761 WeakPolarHBondContact CD1-O 3.13Å; Y712-P761 HydrophobicContact CE1-CB 3.89Å; Y715-P761 HydrophobicContact CD1-CB 3.59Å; Y715-P761 HydrophobicContact CD1-CG 3.54Å; Y715-P761 HydrophobicContact CD2-CG 4.24Å; Y715-P761 HydrophobicContact CE1-CB 4.01Å; Y715-P761 HydrophobicContact CE1-CG 3.49Å; Y715-P761 VanDerWaalsContact CE1-CG 3.49Å; Y715-P761 HydrophobicContact CE2-CG 4.21Å; Y715-P761 HydrophobicContact CG-CB 4.02Å; Y715-P761 HydrophobicContact CG-CG 3.92Å; L758-P761 WeakPolarHBondContact O-CD 3.13Å; P761-R764 PolarHBondContact O-N 2.97Å; P761-I765 WeakPolarHBondContact O-CG2 3.39Å; P761-I765 PolarHBondContact O-N 3.37Å
762	F	91.1	Very high	90.6	Very high	84 Å²	84	25.6 Å²	25.6	37%	0.368	13%	0.131	S	C	.	.	H	α-helix	trans	-66.1	-45.1	173.5	178	-111.5	0	0	0	111.6	V716 L759 L760 R764 T766	V716-F762 HydrophobicContact CG1-CD2 3.81Å; V716-F762 HydrophobicContact CG2-CB 3.95Å; V716-F762 HydrophobicContact CG2-CD2 4.25Å; L759-F762 PolarHBondContact O-N 3.27Å; L760-F762 PolarHBondContact O-N 3.13Å; F762-R764 VanDerWaalsContact C-N 3.29Å; F762-R764 PolarHBondContact O-N 2.76Å; F762-T766 HydrophobicContact CE2-CG2 4.2Å; F762-T766 HydrophobicContact CZ-CG2 4.37Å; F762-T766 WeakPolarHBondContact O-CG2 3.5Å; F762-T766 PolarHBondContact O-N 2.77Å; F762-T766 PolarHBondContact O-OG1 2.78Å
763	Q	88.8	Confident	90.5	Very high	60 Å²	60	26.8 Å²	26.8	28%	0.28	14%	0.136	S	C	.	.	H	α-helix	trans	-65.4	-29.1	177.3	-67.5	176	-15.3	0	0	112.9	Y537 L759 L760 T766 R767	Y537-Q763 HydrophobicContact CE1-CB 4.42Å; L759-Q763 WeakPolarHBondContact O-CG 3.46Å; L759-Q763 PolarHBondContact O-N 2.9Å; L760-Q763 PolarHBondContact O-N 3.08Å; Q763-T766 PolarHBondContact O-OG1 3Å; Q763-R767 WeakPolarHBondContact O-CB 3.46Å; Q763-R767 PolarHBondContact O-N 3.27Å
764	R	95.4	Very high	90.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-78.4	-50.3	179.5	-172.8	61.9	-178.7	159.2	-0.1	112.9	Y537 V630 S633 E634 Y637 Y712 L760 P761 F762 T766 R767 I768	Y537-R764 VanDerWaalsContact OH-CD 3.31Å; Y537-R764 WeakPolarHBondContact OH-CD 3.43Å; V630-R764 PolarHBondContact O-NH2 3.07Å; S633-R764 PolarHBondContact OG-NH1 3.01Å; S633-R764 PolarHBondContact OG-NH2 3.24Å; S633-R764 VanDerWaalsContact OG-NH2 3.07Å; E634-R764 IonicContact OE2-CZ 2.66Å; E634-R764 IonicContact OE2-NE 3.5Å; E634-R764 PolarHBondContact OE2-NE 3.3Å; E634-R764 IonicContact OE2-NH2 3.29Å; E634-R764 PolarHBondContact OE2-NH2 3.33Å; Y637-R764 HydrophobicContact CD1-CB 4.43Å; Y637-R764 HydrophobicContact CD1-CG 3.77Å; Y637-R764 HydrophobicContact CD2-CB 3.72Å; Y637-R764 HydrophobicContact CD2-CG 3.81Å; Y637-R764 HydrophobicContact CE1-CB 4.12Å; Y637-R764 HydrophobicContact CE1-CG 3.74Å; Y637-R764 HydrophobicContact CE2-CB 3.35Å; Y637-R764 HydrophobicContact CE2-CG 3.79Å; Y637-R764 HydrophobicContact CG-CB 4.25Å; Y637-R764 HydrophobicContact CG-CG 3.8Å; Y712-R764 HydrophobicContact CE1-CB 4.37Å; L760-R764 PolarHBondContact O-N 3.44Å; P761-R764 PolarHBondContact O-N 2.97Å; F762-R764 VanDerWaalsContact C-N 3.29Å; F762-R764 PolarHBondContact O-N 2.76Å; R764-T766 VanDerWaalsContact C-N 3.27Å; R764-T766 PolarHBondContact O-N 3.01Å; R764-R767 PolarHBondContact O-N 3.19Å; R764-R767 VanDerWaalsContact O-N 3.13Å; R764-I768 HydrophobicContact CG-CD1 3.9Å; R764-I768 HydrophobicContact CG-CG1 4.32Å; R764-I768 WeakPolarHBondContact O-CG1 3.21Å; R764-I768 PolarHBondContact O-N 2.94Å
765	I	93.6	Very high	90	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-37.1	-176.3	-168.1	62.6	0	0	0	111.9	F709 Y712 P761 V796 I799 I800	F709-I765 HydrophobicContact CB-CD1 4.24Å; F709-I765 HydrophobicContact CD2-CD1 4.03Å; F709-I765 HydrophobicContact CG-CD1 4.36Å; Y712-I765 HydrophobicContact CD1-CB 4.15Å; Y712-I765 HydrophobicContact CD2-CD1 4.09Å; Y712-I765 HydrophobicContact CG-CB 4.12Å; Y712-I765 HydrophobicContact CG-CD1 4.42Å; Y712-I765 HydrophobicContact CG-CG1 4.43Å; P761-I765 WeakPolarHBondContact O-CG2 3.39Å; P761-I765 PolarHBondContact O-N 3.37Å; I765-V796 HydrophobicContact CD1-CG1 4.07Å; I765-I799 HydrophobicContact CD1-CG2 4.04Å; I765-I799 HydrophobicContact CG1-CG2 3.88Å; I765-I800 HydrophobicContact CG1-CG1 4.13Å; I765-I800 HydrophobicContact CG2-CG1 4.48Å
766	T	87.3	Confident	89.7	Confident	45 Å²	45	24.5 Å²	24.5	28%	0.276	12%	0.12	S	C	.	.	H	α-helix	trans	-67	-43.4	173	50.7	0	0	0	0	112.4	F762 Q763 R764 I768 K769 I800	F762-T766 HydrophobicContact CE2-CG2 4.2Å; F762-T766 HydrophobicContact CZ-CG2 4.37Å; F762-T766 WeakPolarHBondContact O-CG2 3.5Å; F762-T766 PolarHBondContact O-N 2.77Å; F762-T766 PolarHBondContact O-OG1 2.78Å; Q763-T766 PolarHBondContact O-OG1 3Å; R764-T766 VanDerWaalsContact C-N 3.27Å; R764-T766 PolarHBondContact O-N 3.01Å; T766-I768 PolarHBondContact O-N 3.2Å; T766-K769 WeakPolarHBondContact O-CB 3.25Å; T766-K769 PolarHBondContact O-N 2.66Å; T766-I800 HydrophobicContact CG2-CD1 4.48Å
767	R	88.8	Confident	89.3	Confident	17 Å²	17	29.2 Å²	29.2	6%	0.064	14%	0.138	C	C	.	.	H	α-helix	trans	-67.9	-31.4	177.7	-172.2	58.3	166.9	89.7	11.5	113.5	Y537 A544 E629 Q763 R764 K769 M770 L771	Y537-R767 WeakPolarHBondContact OH-CB 3.2Å; A544-R767 VanDerWaalsContact CB-NH2 3.26Å; E629-R767 IonicContact OE1-CZ 2.63Å; E629-R767 IonicContact OE1-NH1 3.57Å; E629-R767 PolarHBondContact OE1-NH1 3.13Å; E629-R767 IonicContact OE1-NH2 3.4Å; E629-R767 PolarHBondContact OE1-NH2 3.05Å; Q763-R767 WeakPolarHBondContact O-CB 3.46Å; Q763-R767 PolarHBondContact O-N 3.27Å; R764-R767 PolarHBondContact O-N 3.19Å; R764-R767 VanDerWaalsContact O-N 3.13Å; R767-K769 VanDerWaalsContact C-N 3.3Å; R767-K769 PolarHBondContact O-N 2.76Å; R767-M770 PolarHBondContact O-N 3.42Å; R767-L771 HydrophobicContact CG-CD1 4.48Å; R767-L771 VanDerWaalsContact NH1-CD2 3.27Å; R767-L771 WeakPolarHBondContact O-CG 3.34Å; R767-L771 PolarHBondContact O-N 3.02Å
768	I	93.4	Very high	88.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-39.4	173.7	-71.4	170	0	0	0	110.8	L701 F709 R764 T766 M770 L771 I772 V796	L701-I768 HydrophobicContact CD2-CG2 3.99Å; F709-I768 HydrophobicContact CE2-CD1 4.08Å; F709-I768 HydrophobicContact CE2-CG2 4.37Å; F709-I768 HydrophobicContact CZ-CD1 4.11Å; R764-I768 HydrophobicContact CG-CD1 3.9Å; R764-I768 HydrophobicContact CG-CG1 4.32Å; R764-I768 WeakPolarHBondContact O-CG1 3.21Å; R764-I768 PolarHBondContact O-N 2.94Å; T766-I768 PolarHBondContact O-N 3.2Å; I768-M770 PolarHBondContact O-N 3.26Å; I768-L771 PolarHBondContact O-N 2.9Å; I768-I772 HydrophobicContact CG2-CD1 3.92Å; I768-I772 HydrophobicContact CG2-CG1 4.43Å; I768-I772 WeakPolarHBondContact O-CG1 3.33Å; I768-I772 PolarHBondContact O-N 2.79Å; I768-V796 HydrophobicContact CG2-CG1 4.18Å; I768-V796 HydrophobicContact CG2-CG2 4.02Å
769	K	87.3	Confident	88.3	Confident	70 Å²	70	32 Å²	32	30%	0.304	15%	0.151	S	C	.	.	H	α-helix	trans	-54.6	-51.2	173.3	-171.1	-175	-177.8	-88	0	111.3	T766 R767 L771 I772 E773 L793 V796 S797 I800	T766-K769 WeakPolarHBondContact O-CB 3.25Å; T766-K769 PolarHBondContact O-N 2.66Å; R767-K769 VanDerWaalsContact C-N 3.3Å; R767-K769 PolarHBondContact O-N 2.76Å; K769-L771 VanDerWaalsContact C-N 3.31Å; K769-L771 PolarHBondContact O-N 3.37Å; K769-I772 PolarHBondContact O-N 3.18Å; K769-E773 IonicContact NZ-OE1 2.69Å; K769-E773 PolarHBondContact NZ-OE1 2.85Å; K769-E773 WeakPolarHBondContact O-CG 3.29Å; K769-E773 PolarHBondContact O-N 3.13Å; K769-L793 HydrophobicContact CG-CD1 3.54Å; K769-V796 HydrophobicContact CB-CG1 4.14Å; K769-S797 VanDerWaalsContact CE-OG 3.28Å; K769-S797 WeakPolarHBondContact CE-OG 3.18Å; K769-I800 HydrophobicContact CB-CD1 3.94Å; K769-I800 HydrophobicContact CD-CD1 3.88Å; K769-I800 HydrophobicContact CG-CD1 4.41Å
770	M	84.2	Confident	87.9	Confident	68 Å²	68	38.3 Å²	38.3	34%	0.335	18%	0.177	S	C	.	.	H	α-helix	trans	-63.2	-33.7	179	-56.9	175.4	74.3	0	0	113.2	E548 R767 I768 N774	E548-M770 HydrophobicContact CG-CE 4.32Å; R767-M770 PolarHBondContact O-N 3.42Å; I768-M770 PolarHBondContact O-N 3.26Å; M770-N774 WeakPolarHBondContact O-CB 3.47Å; M770-N774 VanDerWaalsContact O-CG 3.24Å; M770-N774 PolarHBondContact O-N 3.2Å
771	L	87.8	Confident	87.3	Confident	2 Å²	2	47 Å²	47	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-66.5	-45	175.8	-73.5	166.3	0	0	0	111.3	E629 V630 R767 I768 K769 N774 I775	E629-L771 HydrophobicContact CB-CD2 4.01Å; E629-L771 HydrophobicContact CG-CD2 3.64Å; E629-L771 VanDerWaalsContact OE1-CD2 3.23Å; E629-L771 WeakPolarHBondContact OE1-CD2 3.39Å; V630-L771 HydrophobicContact CG2-CB 4.09Å; V630-L771 HydrophobicContact CG2-CD1 4.4Å; V630-L771 HydrophobicContact CG2-CD2 4.47Å; R767-L771 HydrophobicContact CG-CD1 4.48Å; R767-L771 VanDerWaalsContact NH1-CD2 3.27Å; R767-L771 WeakPolarHBondContact O-CG 3.34Å; R767-L771 PolarHBondContact O-N 3.02Å; I768-L771 PolarHBondContact O-N 2.9Å; K769-L771 VanDerWaalsContact C-N 3.31Å; K769-L771 PolarHBondContact O-N 3.37Å; L771-N774 WeakPolarHBondContact O-CB 3.36Å; L771-N774 PolarHBondContact O-N 3.49Å; L771-N774 VanDerWaalsContact O-N 3.13Å; L771-I775 PolarHBondContact O-N 2.97Å
772	I	88.9	Confident	86.5	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-41.9	176.4	-57	160.8	0	0	0	110.5	L701 I768 K769 N774 I775 L776 A789 A792 L793 V796	L701-I772 HydrophobicContact CD1-CG1 4.18Å; L701-I772 HydrophobicContact CD2-CD1 4.28Å; L701-I772 HydrophobicContact CD2-CG1 4.2Å; I768-I772 HydrophobicContact CG2-CD1 3.92Å; I768-I772 HydrophobicContact CG2-CG1 4.43Å; I768-I772 WeakPolarHBondContact O-CG1 3.33Å; I768-I772 PolarHBondContact O-N 2.79Å; K769-I772 PolarHBondContact O-N 3.18Å; I772-N774 PolarHBondContact O-N 3.42Å; I772-I775 PolarHBondContact O-N 3.06Å; I772-I775 VanDerWaalsContact O-N 3.13Å; I772-L776 WeakPolarHBondContact O-CB 3.43Å; I772-L776 PolarHBondContact O-N 3.45Å; I772-A789 HydrophobicContact CG2-CB 4.46Å; I772-A789 VanDerWaalsContact CG2-O 3.29Å; I772-A789 WeakPolarHBondContact CG2-O 3.22Å; I772-A792 HydrophobicContact CD1-CB 4.15Å; I772-A792 HydrophobicContact CG2-CB 4.17Å; I772-L793 HydrophobicContact CB-CB 4.44Å; I772-L793 HydrophobicContact CG2-CB 3.77Å; I772-V796 HydrophobicContact CD1-CB 4.21Å; I772-V796 HydrophobicContact CD1-CG2 3.67Å
773	E	83	Confident	86.4	Confident	48 Å²	48	47.5 Å²	47.5	22%	0.224	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-34	172.7	-72	171.4	-167.9	0	0	112.5	K769 K777 L793	K769-E773 IonicContact NZ-OE1 2.69Å; K769-E773 PolarHBondContact NZ-OE1 2.85Å; K769-E773 WeakPolarHBondContact O-CG 3.29Å; K769-E773 PolarHBondContact O-N 3.13Å; E773-K777 WeakPolarHBondContact O-CB 3.46Å; E773-K777 VanDerWaalsContact O-CD 3.24Å; E773-K777 WeakPolarHBondContact O-CD 3.39Å; E773-K777 VanDerWaalsContact O-CE 3.28Å; E773-K777 WeakPolarHBondContact O-CE 3.37Å; E773-K777 WeakPolarHBondContact O-CG 3.33Å; E773-K777 PolarHBondContact O-N 3.11Å; E773-K777 IonicContact OE2-NZ 3.82Å; E773-L793 HydrophobicContact CG-CD1 3.71Å; E773-L793 HydrophobicContact CG-CD2 3.81Å; E773-L793 HydrophobicContact CG-CG 4.44Å
774	N	84	Confident	86.3	Confident	14 Å²	14	48.6 Å²	48.6	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-76.6	-26.2	177.4	-79.1	-2	0	0	0	113.4	M770 L771 I772 K777 R778	M770-N774 WeakPolarHBondContact O-CB 3.47Å; M770-N774 VanDerWaalsContact O-CG 3.24Å; M770-N774 PolarHBondContact O-N 3.2Å; L771-N774 WeakPolarHBondContact O-CB 3.36Å; L771-N774 PolarHBondContact O-N 3.49Å; L771-N774 VanDerWaalsContact O-N 3.13Å; I772-N774 PolarHBondContact O-N 3.42Å; N774-K777 PolarHBondContact OD1-NZ 3.44Å; N774-K777 VanDerWaalsContact OD1-NZ 3.13Å; N774-R778 PolarHBondContact O-NH1 3.48Å
775	I	88.6	Confident	85.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-74.5	-46.8	168.9	-64.5	167.3	0	0	0	109.5	Y623 M627 V630 I697 L701 L771 I772 K777 R778 T779	Y623-I775 HydrophobicContact CE2-CG2 3.59Å; M627-I775 HydrophobicContact CG-CD1 4.13Å; M627-I775 HydrophobicContact CG-CG1 4.36Å; V630-I775 HydrophobicContact CG2-CD1 3.91Å; I697-I775 HydrophobicContact CD1-CD1 4.41Å; I697-I775 HydrophobicContact CG1-CD1 4.41Å; L701-I775 HydrophobicContact CD1-CD1 4.43Å; L771-I775 PolarHBondContact O-N 2.97Å; I772-I775 PolarHBondContact O-N 3.06Å; I772-I775 VanDerWaalsContact O-N 3.13Å; I775-K777 VanDerWaalsContact C-N 3.33Å; I775-K777 PolarHBondContact O-N 2.87Å; I775-R778 CarbonylContact O-C 3.49Å; I775-R778 WeakPolarHBondContact O-CA 3.22Å; I775-R778 PolarHBondContact O-N 3.24Å; I775-T779 PolarHBondContact O-N 3.29Å
776	L	84.3	Confident	85.7	Confident	42 Å²	42	55.4 Å²	55.4	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-61	-35	-179.5	-175.8	66.6	0	0	0	113.2	I772 R778 T779 E786 A789 L793	I772-L776 WeakPolarHBondContact O-CB 3.43Å; I772-L776 PolarHBondContact O-N 3.45Å; L776-R778 PolarHBondContact O-N 3.38Å; L776-R778 VanDerWaalsContact O-N 3.08Å; L776-T779 PolarHBondContact O-OG1 3.15Å; L776-E786 HydrophobicContact CD1-CB 4.47Å; L776-E786 HydrophobicContact CD1-CG 3.62Å; L776-A789 HydrophobicContact CB-CB 4.19Å; L776-A789 HydrophobicContact CD1-CB 3.85Å; L776-L793 HydrophobicContact CD2-CD2 3.82Å
777	K	82.4	Confident	85.7	Confident	119 Å²	119	58.2 Å²	58.2	52%	0.517	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-3.7	172.1	-71.5	160.5	-155.4	159.4	0	114	E773 N774 I775	E773-K777 WeakPolarHBondContact O-CB 3.46Å; E773-K777 VanDerWaalsContact O-CD 3.24Å; E773-K777 WeakPolarHBondContact O-CD 3.39Å; E773-K777 VanDerWaalsContact O-CE 3.28Å; E773-K777 WeakPolarHBondContact O-CE 3.37Å; E773-K777 WeakPolarHBondContact O-CG 3.33Å; E773-K777 PolarHBondContact O-N 3.11Å; E773-K777 IonicContact OE2-NZ 3.82Å; N774-K777 PolarHBondContact OD1-NZ 3.44Å; N774-K777 VanDerWaalsContact OD1-NZ 3.13Å; I775-K777 VanDerWaalsContact C-N 3.33Å; I775-K777 PolarHBondContact O-N 2.87Å
778	R	84.2	Confident	85.8	Confident	40 Å²	40	59 Å²	59	15%	0.151	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-7.6	-173.9	-60.3	179.3	-177.5	115	-10.3	113.3	T561 Y623 S626 N774 I775 L776	T561-R778 PolarHBondContact OG1-NH2 3.17Å; Y623-R778 HydrophobicContact CD2-CB 3.86Å; S626-R778 WeakPolarHBondContact OG-CD 3.41Å; S626-R778 PolarHBondContact OG-NH1 3.28Å; N774-R778 PolarHBondContact O-NH1 3.48Å; I775-R778 CarbonylContact O-C 3.49Å; I775-R778 WeakPolarHBondContact O-CA 3.22Å; I775-R778 PolarHBondContact O-N 3.24Å; L776-R778 PolarHBondContact O-N 3.38Å; L776-R778 VanDerWaalsContact O-N 3.08Å
779	T	83.9	Confident	85.6	Confident	20 Å²	20	59 Å²	59	12%	0.123	30%	0.301	C	S	.	.	S	Bend	trans	-68.5	147.3	159.1	47.3	0	0	0	0	109.8	Y623 I775 L776 E785	Y623-T779 HydrophobicContact CE2-CG2 3.61Å; I775-T779 PolarHBondContact O-N 3.29Å; L776-T779 PolarHBondContact O-OG1 3.15Å; T779-E785 HydrophobicContact CG2-CB 3.81Å
780	K	81.6	Confident	85.5	Confident	174 Å²	174	58.1 Å²	58.1	76%	0.757	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-77.4	147.6	171.4	-62.2	-179.8	179.9	-177.8	0	110.1	T783	K780-T783 HydrophobicContact CB-CG2 3.82Å; K780-T783 WeakPolarHBondContact O-CB 3.38Å; K780-T783 VanDerWaalsContact O-CG2 3.27Å; K780-T783 WeakPolarHBondContact O-CG2 3.28Å; K780-T783 PolarHBondContact O-OG1 3.15Å
781	E	79.7	Confident	85.9	Confident	183 Å²	183	59.5 Å²	59.5	86%	0.855	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	145.2	178.2	-61.1	-173.8	172.3	0	0	111.9	T783 E786	E781-T783 VanDerWaalsContact C-N 3.28Å; E781-T783 PolarHBondContact O-N 3.41Å; E781-E786 WeakPolarHBondContact CA-OE2 3.28Å
782	G	78.3	Confident	86.2	Confident	64 Å²	64	59.4 Å²	59.4	66%	0.66	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-0.3	-179.8	0	0	0	0	0	115.2	E786	G782-E786 PolarHBondContact N-OE2 3.36Å
783	T	88.2	Confident	86.2	Confident	31 Å²	31	60.7 Å²	60.7	19%	0.19	31%	0.314	C	S	.	.			trans	-83.6	154.2	-174.3	60	0	0	0	0	113.9	K780 E781 E785 E786 Q787	K780-T783 HydrophobicContact CB-CG2 3.82Å; K780-T783 WeakPolarHBondContact O-CB 3.38Å; K780-T783 VanDerWaalsContact O-CG2 3.27Å; K780-T783 WeakPolarHBondContact O-CG2 3.28Å; K780-T783 PolarHBondContact O-OG1 3.15Å; E781-T783 VanDerWaalsContact C-N 3.28Å; E781-T783 PolarHBondContact O-N 3.41Å; T783-E785 WeakPolarHBondContact CB-OE2 3.48Å; T783-E785 PolarHBondContact O-N 2.97Å; T783-E786 PolarHBondContact O-N 3.05Å; T783-E786 WeakPolarHBondContact OG1-CB 3.38Å; T783-E786 PolarHBondContact OG1-N 3.1Å; T783-E786 VanDerWaalsContact OG1-N 3.14Å; T783-Q787 WeakPolarHBondContact O-CG 3.24Å; T783-Q787 PolarHBondContact O-N 3.44Å; T783-Q787 VanDerWaalsContact O-N 3.14Å
784	P	88.2	Confident	86.5	Confident	83 Å²	83	60.2 Å²	60.2	54%	0.539	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-28.5	172.4	25.8	-32.5	0	0	0	112.5	T788	P784-T788 WeakPolarHBondContact O-CB 3.13Å; P784-T788 PolarHBondContact O-N 3.26Å; P784-T788 PolarHBondContact O-OG1 3.31Å
785	E	87.3	Confident	87	Confident	81 Å²	81	60.2 Å²	60.2	38%	0.379	32%	0.316	S	S	.	.	H	α-helix	trans	-64.3	-48.7	172.7	-63.5	73.3	-161	0	0	110.9	D696 T779 T783 Q787 T788 A789	D696-E785 HydrophobicContact CB-CG 3.95Å; T779-E785 HydrophobicContact CG2-CB 3.81Å; T783-E785 WeakPolarHBondContact CB-OE2 3.48Å; T783-E785 PolarHBondContact O-N 2.97Å; E785-Q787 VanDerWaalsContact C-N 3.34Å; E785-Q787 PolarHBondContact O-N 2.87Å; E785-T788 PolarHBondContact O-N 3.31Å; E785-A789 WeakPolarHBondContact O-CB 3.48Å; E785-A789 PolarHBondContact O-N 2.96Å
786	E	87.7	Confident	87.2	Confident	63 Å²	63	60.2 Å²	60.2	29%	0.294	32%	0.316	S	S	.	.	H	α-helix	trans	-57	-47.2	175.6	-171.6	-148.2	163.7	0	0	111.2	L776 E781 G782 T783 T788 A789 S790	L776-E786 HydrophobicContact CD1-CB 4.47Å; L776-E786 HydrophobicContact CD1-CG 3.62Å; E781-E786 WeakPolarHBondContact CA-OE2 3.28Å; G782-E786 PolarHBondContact N-OE2 3.36Å; T783-E786 PolarHBondContact O-N 3.05Å; T783-E786 WeakPolarHBondContact OG1-CB 3.38Å; T783-E786 PolarHBondContact OG1-N 3.1Å; T783-E786 VanDerWaalsContact OG1-N 3.14Å; E786-T788 PolarHBondContact O-N 3.23Å; E786-A789 PolarHBondContact O-N 3.15Å; E786-S790 VanDerWaalsContact O-CB 3.25Å; E786-S790 WeakPolarHBondContact O-CB 3.48Å; E786-S790 PolarHBondContact O-N 3.09Å
787	Q	88.1	Confident	87.4	Confident	104 Å²	104	59.5 Å²	59.5	49%	0.486	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-34.6	177.2	-67.7	-178.3	33.6	0	0	112.3	T783 E785 K791	T783-Q787 WeakPolarHBondContact O-CG 3.24Å; T783-Q787 PolarHBondContact O-N 3.44Å; T783-Q787 VanDerWaalsContact O-N 3.14Å; E785-Q787 VanDerWaalsContact C-N 3.34Å; E785-Q787 PolarHBondContact O-N 2.87Å; Q787-K791 WeakPolarHBondContact O-CB 3.39Å; Q787-K791 VanDerWaalsContact O-CD 3.26Å; Q787-K791 WeakPolarHBondContact O-CD 3.38Å; Q787-K791 WeakPolarHBondContact O-CG 3.42Å; Q787-K791 PolarHBondContact O-N 2.94Å; Q787-K791 VanDerWaalsContact O-N 3.08Å
788	T	90.7	Very high	87.9	Confident	32 Å²	32	57.7 Å²	57.7	20%	0.196	31%	0.306	C	S	.	.	H	α-helix	trans	-79.8	-41.5	-177.8	-55.8	0	0	0	0	111.2	C698 D699 P784 E785 E786 S790 K791 A792	C698-T788 HydrophobicContact CB-CG2 3.92Å; D699-T788 HydrophobicContact CB-CG2 4.17Å; P784-T788 WeakPolarHBondContact O-CB 3.13Å; P784-T788 PolarHBondContact O-N 3.26Å; P784-T788 PolarHBondContact O-OG1 3.31Å; E785-T788 PolarHBondContact O-N 3.31Å; E786-T788 PolarHBondContact O-N 3.23Å; T788-S790 VanDerWaalsContact C-N 3.34Å; T788-S790 PolarHBondContact O-N 3.09Å; T788-K791 PolarHBondContact O-N 3.07Å; T788-A792 WeakPolarHBondContact O-CB 3.28Å; T788-A792 PolarHBondContact O-N 3.47Å
789	A	88.7	Confident	88.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-43.1	169	0	0	0	0	0	112	C698 I772 L776 E785 E786 A792 L793	C698-A789 HydrophobicContact CB-CB 4.15Å; I772-A789 HydrophobicContact CG2-CB 4.46Å; I772-A789 VanDerWaalsContact CG2-O 3.29Å; I772-A789 WeakPolarHBondContact CG2-O 3.22Å; L776-A789 HydrophobicContact CB-CB 4.19Å; L776-A789 HydrophobicContact CD1-CB 3.85Å; E785-A789 WeakPolarHBondContact O-CB 3.48Å; E785-A789 PolarHBondContact O-N 2.96Å; E786-A789 PolarHBondContact O-N 3.15Å; A789-A792 PolarHBondContact O-N 3.35Å; A789-L793 WeakPolarHBondContact O-CB 3.46Å; A789-L793 PolarHBondContact O-N 2.75Å
790	S	86.8	Confident	88.6	Confident	52 Å²	52	56.4 Å²	56.4	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-63.6	-41.9	175.6	-177.4	0	0	0	0	112.6	E786 T788 L793 T794	E786-S790 VanDerWaalsContact O-CB 3.25Å; E786-S790 WeakPolarHBondContact O-CB 3.48Å; E786-S790 PolarHBondContact O-N 3.09Å; T788-S790 VanDerWaalsContact C-N 3.34Å; T788-S790 PolarHBondContact O-N 3.09Å; S790-L793 PolarHBondContact O-N 2.7Å; S790-T794 WeakPolarHBondContact O-CB 3.31Å; S790-T794 PolarHBondContact O-N 3.49Å; S790-T794 PolarHBondContact O-OG1 3.12Å
791	K	91.7	Very high	88.7	Confident	98 Å²	98	52.4 Å²	52.4	43%	0.426	29%	0.288	S	S	.	.	H	α-helix	trans	-63.2	-41.1	173.1	-73.5	162.1	-163.1	161.4	0	112.2	H702 Q787 T788 S795	H702-K791 PolarHBondContact CE1-O 3.29Å; H702-K791 PolarHBondContact ND1-O 3.26Å; H702-K791 VanDerWaalsContact ND1-O 3.1Å; Q787-K791 WeakPolarHBondContact O-CB 3.39Å; Q787-K791 VanDerWaalsContact O-CD 3.26Å; Q787-K791 WeakPolarHBondContact O-CD 3.38Å; Q787-K791 WeakPolarHBondContact O-CG 3.42Å; Q787-K791 PolarHBondContact O-N 2.94Å; Q787-K791 VanDerWaalsContact O-N 3.08Å; T788-K791 PolarHBondContact O-N 3.07Å; K791-S795 WeakPolarHBondContact O-CB 3.25Å; K791-S795 PolarHBondContact O-N 2.9Å; K791-S795 VanDerWaalsContact O-N 3.16Å; K791-S795 PolarHBondContact O-OG 2.96Å
792	A	94.1	Very high	89.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-52	175.1	0	0	0	0	0	111.5	C698 L701 H702 I772 T788 A789 T794 S795 V796	C698-A792 HydrophobicContact CB-CB 4.41Å; L701-A792 HydrophobicContact CB-CB 4.12Å; H702-A792 HydrophobicContact CB-CB 4.04Å; I772-A792 HydrophobicContact CD1-CB 4.15Å; I772-A792 HydrophobicContact CG2-CB 4.17Å; T788-A792 WeakPolarHBondContact O-CB 3.28Å; T788-A792 PolarHBondContact O-N 3.47Å; A789-A792 PolarHBondContact O-N 3.35Å; A792-T794 VanDerWaalsContact C-N 3.32Å; A792-T794 PolarHBondContact O-N 2.94Å; A792-S795 WeakPolarHBondContact O-CA 3.47Å; A792-S795 WeakPolarHBondContact O-CB 3.35Å; A792-S795 PolarHBondContact O-N 2.69Å; A792-V796 PolarHBondContact O-N 3.14Å
793	L	89.1	Confident	89.9	Confident	27 Å²	27	42.2 Å²	42.2	14%	0.141	23%	0.226	C	C	.	.	H	α-helix	trans	-56.5	-45.3	178.6	179.2	56	0	0	0	112	K769 I772 E773 L776 A789 S790 S795 V796 S797	K769-L793 HydrophobicContact CG-CD1 3.54Å; I772-L793 HydrophobicContact CB-CB 4.44Å; I772-L793 HydrophobicContact CG2-CB 3.77Å; E773-L793 HydrophobicContact CG-CD1 3.71Å; E773-L793 HydrophobicContact CG-CD2 3.81Å; E773-L793 HydrophobicContact CG-CG 4.44Å; L776-L793 HydrophobicContact CD2-CD2 3.82Å; A789-L793 WeakPolarHBondContact O-CB 3.46Å; A789-L793 PolarHBondContact O-N 2.75Å; S790-L793 PolarHBondContact O-N 2.7Å; L793-S795 PolarHBondContact O-N 2.63Å; L793-V796 PolarHBondContact O-N 2.86Å; L793-S797 WeakPolarHBondContact O-CB 3.37Å; L793-S797 PolarHBondContact O-N 2.99Å; L793-S797 PolarHBondContact O-OG 2.92Å
794	T	88.6	Confident	89.7	Confident	37 Å²	37	45.1 Å²	45.1	23%	0.227	24%	0.241	C	C	.	.	H	α-helix	trans	-58.4	-35.6	174.7	-67.8	0	0	0	0	112.4	S790 A792 K798 V1045	S790-T794 WeakPolarHBondContact O-CB 3.31Å; S790-T794 PolarHBondContact O-N 3.49Å; S790-T794 PolarHBondContact O-OG1 3.12Å; A792-T794 VanDerWaalsContact C-N 3.32Å; A792-T794 PolarHBondContact O-N 2.94Å; T794-K798 HydrophobicContact CG2-CD 4.38Å; T794-K798 WeakPolarHBondContact O-CD 3.2Å; T794-K798 VanDerWaalsContact O-CG 3.26Å; T794-K798 WeakPolarHBondContact O-CG 3.17Å; T794-K798 PolarHBondContact O-N 3.35Å; T794-V1045 HydrophobicContact CG2-CB 4.37Å; T794-V1045 HydrophobicContact CG2-CG1 3.44Å; T794-V1045 VanDerWaalsContact CG2-CG1 3.44Å; T794-V1045 HydrophobicContact CG2-CG2 3.91Å
795	S	95.4	Very high	89.7	Confident	15 Å²	15	46.7 Å²	46.7	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-80.3	-41.8	-176.7	-55.7	0	0	0	0	111.7	H702 K791 A792 L793 K798 I799	H702-S795 PolarHBondContact CE1-OG 2.72Å; H702-S795 PolarHBondContact ND1-OG 2.86Å; H702-S795 VanDerWaalsContact ND1-OG 3.1Å; K791-S795 WeakPolarHBondContact O-CB 3.25Å; K791-S795 PolarHBondContact O-N 2.9Å; K791-S795 VanDerWaalsContact O-N 3.16Å; K791-S795 PolarHBondContact O-OG 2.96Å; A792-S795 WeakPolarHBondContact O-CA 3.47Å; A792-S795 WeakPolarHBondContact O-CB 3.35Å; A792-S795 PolarHBondContact O-N 2.69Å; L793-S795 PolarHBondContact O-N 2.63Å; S795-K798 PolarHBondContact O-N 2.89Å; S795-I799 PolarHBondContact O-N 3.01Å
796	V	93.3	Very high	89.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-39.4	174.2	175.4	0	0	0	0	111.6	A705 F709 I765 I768 K769 I772 A792 L793 K798 I799 I800	A705-V796 HydrophobicContact CB-CG2 3.69Å; F709-V796 HydrophobicContact CD2-CG2 4.42Å; I765-V796 HydrophobicContact CD1-CG1 4.07Å; I768-V796 HydrophobicContact CG2-CG1 4.18Å; I768-V796 HydrophobicContact CG2-CG2 4.02Å; K769-V796 HydrophobicContact CB-CG1 4.14Å; I772-V796 HydrophobicContact CD1-CB 4.21Å; I772-V796 HydrophobicContact CD1-CG2 3.67Å; A792-V796 PolarHBondContact O-N 3.14Å; L793-V796 PolarHBondContact O-N 2.86Å; V796-K798 PolarHBondContact O-N 3.39Å; V796-I799 WeakPolarHBondContact O-CB 3.5Å; V796-I799 PolarHBondContact O-N 3.36Å; V796-I799 VanDerWaalsContact O-N 3.11Å; V796-I800 HydrophobicContact CG1-CD1 4.15Å; V796-I800 PolarHBondContact O-N 2.89Å; V796-I800 VanDerWaalsContact O-N 3.15Å
797	S	87.7	Confident	89.8	Confident	26 Å²	26	42.4 Å²	42.4	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-46.1	176.4	-56.6	0	0	0	0	111.3	K769 L793 I799 I800 D801	K769-S797 VanDerWaalsContact CE-OG 3.28Å; K769-S797 WeakPolarHBondContact CE-OG 3.18Å; L793-S797 WeakPolarHBondContact O-CB 3.37Å; L793-S797 PolarHBondContact O-N 2.99Å; L793-S797 PolarHBondContact O-OG 2.92Å; S797-I799 PolarHBondContact O-N 2.97Å; S797-I800 WeakPolarHBondContact O-CB 3.26Å; S797-I800 PolarHBondContact O-N 3.45Å; S797-D801 PolarHBondContact O-N 3.39Å
798	K	92.6	Very high	89.7	Confident	82 Å²	82	38.9 Å²	38.9	36%	0.357	21%	0.21	S	C	.	.	H	α-helix	trans	-58.5	-30.7	175.1	-73.2	166.4	-175.8	174.5	0	113.8	T794 S795 V796 C802	T794-K798 HydrophobicContact CG2-CD 4.38Å; T794-K798 WeakPolarHBondContact O-CD 3.2Å; T794-K798 VanDerWaalsContact O-CG 3.26Å; T794-K798 WeakPolarHBondContact O-CG 3.17Å; T794-K798 PolarHBondContact O-N 3.35Å; S795-K798 PolarHBondContact O-N 2.89Å; V796-K798 PolarHBondContact O-N 3.39Å; K798-C802 WeakPolarHBondContact O-CB 3.29Å; K798-C802 PolarHBondContact O-N 3Å; K798-C802 VanDerWaalsContact O-N 3.12Å; K798-C802 PolarHBondContact O-SG 2.94Å
799	I	94.9	Very high	89.5	Confident	11 Å²	11	43 Å²	43	6%	0.056	23%	0.226	C	C	.	.	H	α-helix	trans	-69.8	-44.8	174.3	-68.3	159.9	0	0	0	110.3	A705 F709 I713 I765 S795 V796 S797 D801 C802 C803	A705-I799 HydrophobicContact CB-CD1 4.27Å; A705-I799 WeakPolarHBondContact O-CD1 3.26Å; F709-I799 HydrophobicContact CB-CD1 3.51Å; F709-I799 HydrophobicContact CD2-CD1 4.46Å; I713-I799 HydrophobicContact CD1-CG2 4.35Å; I713-I799 HydrophobicContact CG1-CG2 3.92Å; I765-I799 HydrophobicContact CD1-CG2 4.04Å; I765-I799 HydrophobicContact CG1-CG2 3.88Å; S795-I799 PolarHBondContact O-N 3.01Å; V796-I799 WeakPolarHBondContact O-CB 3.5Å; V796-I799 PolarHBondContact O-N 3.36Å; V796-I799 VanDerWaalsContact O-N 3.11Å; S797-I799 PolarHBondContact O-N 2.97Å; I799-D801 PolarHBondContact O-N 3.21Å; I799-C802 CarbonylContact O-C 3.57Å; I799-C802 WeakPolarHBondContact O-CA 3.28Å; I799-C802 WeakPolarHBondContact O-CB 3.47Å; I799-C802 PolarHBondContact O-N 2.91Å; I799-C802 VanDerWaalsContact O-N 3.08Å; I799-C803 PolarHBondContact O-N 3.32Å; I799-C803 PolarHBondContact O-SG 3.25Å
800	I	87.3	Confident	89.5	Confident	22 Å²	22	45.2 Å²	45.2	11%	0.113	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-43.6	177.3	-63.4	161.7	0	0	0	110.4	I765 T766 K769 V796 S797 C802 C803 N804	I765-I800 HydrophobicContact CG1-CG1 4.13Å; I765-I800 HydrophobicContact CG2-CG1 4.48Å; T766-I800 HydrophobicContact CG2-CD1 4.48Å; K769-I800 HydrophobicContact CB-CD1 3.94Å; K769-I800 HydrophobicContact CD-CD1 3.88Å; K769-I800 HydrophobicContact CG-CD1 4.41Å; V796-I800 HydrophobicContact CG1-CD1 4.15Å; V796-I800 PolarHBondContact O-N 2.89Å; V796-I800 VanDerWaalsContact O-N 3.15Å; S797-I800 WeakPolarHBondContact O-CB 3.26Å; S797-I800 PolarHBondContact O-N 3.45Å; I800-C802 PolarHBondContact O-N 3.44Å; I800-C803 WeakPolarHBondContact O-CB 3.44Å; I800-C803 PolarHBondContact O-N 3.4Å; I800-C803 VanDerWaalsContact O-N 3.15Å; I800-N804 VanDerWaalsContact O-CG 3.29Å; I800-N804 PolarHBondContact O-N 3.29Å; I800-N804 PolarHBondContact O-OD1 3.41Å
801	D	84.6	Confident	89.5	Confident	90 Å²	90	50.6 Å²	50.6	48%	0.481	25%	0.249	S	C	.	.	H	α-helix	trans	-58	-37.1	173.5	-56.1	-28	0	0	0	111.7	S797 I799 R805	S797-D801 PolarHBondContact O-N 3.39Å; I799-D801 PolarHBondContact O-N 3.21Å; D801-R805 VanDerWaalsContact O-CB 3.28Å; D801-R805 WeakPolarHBondContact O-CB 3.12Å; D801-R805 PolarHBondContact O-N 3.11Å; D801-R805 VanDerWaalsContact O-N 3.09Å
802	C	92	Very high	89.3	Confident	30 Å²	30	49.8 Å²	49.8	20%	0.203	25%	0.246	C	C	.	.	H	α-helix	trans	-71.4	-41.4	175.3	-69.2	0	0	0	0	112.9	I713 K798 I799 I800 R805 D806	I713-C802 HydrophobicContact CD1-CB 3.64Å; I713-C802 HydrophobicContact CG1-CB 4.11Å; I713-C802 HydrophobicContact CG2-CB 4.4Å; K798-C802 WeakPolarHBondContact O-CB 3.29Å; K798-C802 PolarHBondContact O-N 3Å; K798-C802 VanDerWaalsContact O-N 3.12Å; K798-C802 PolarHBondContact O-SG 2.94Å; I799-C802 CarbonylContact O-C 3.57Å; I799-C802 WeakPolarHBondContact O-CA 3.28Å; I799-C802 WeakPolarHBondContact O-CB 3.47Å; I799-C802 PolarHBondContact O-N 2.91Å; I799-C802 VanDerWaalsContact O-N 3.08Å; I800-C802 PolarHBondContact O-N 3.44Å; C802-R805 PolarHBondContact SG-NH1 2.92Å; C802-R805 PolarHBondContact SG-NH2 3.44Å; C802-D806 WeakPolarHBondContact O-CB 3.28Å; C802-D806 PolarHBondContact O-N 3.31Å
803	C	90.5	Very high	89.1	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-52.5	172.5	-65.5	0	0	0	0	110.7	V716 I799 I800 R805 D806 V807	V716-C803 HydrophobicContact CB-CB 4.3Å; V716-C803 HydrophobicContact CG1-CB 3.97Å; I799-C803 PolarHBondContact O-N 3.32Å; I799-C803 PolarHBondContact O-SG 3.25Å; I800-C803 WeakPolarHBondContact O-CB 3.44Å; I800-C803 PolarHBondContact O-N 3.4Å; I800-C803 VanDerWaalsContact O-N 3.15Å; C803-R805 PolarHBondContact O-N 3.14Å; C803-D806 PolarHBondContact O-N 3.5Å; C803-V807 WeakPolarHBondContact O-CB 3.43Å; C803-V807 VanDerWaalsContact O-CG2 3.29Å; C803-V807 WeakPolarHBondContact O-CG2 3.45Å; C803-V807 PolarHBondContact O-N 3.02Å
804	N	85.4	Confident	89.1	Confident	92 Å²	92	52.4 Å²	52.4	49%	0.492	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-49.4	-176.5	-66.9	-7.9	0	0	0	111.8	I800 D806 G808	I800-N804 VanDerWaalsContact O-CG 3.29Å; I800-N804 PolarHBondContact O-N 3.29Å; I800-N804 PolarHBondContact O-OD1 3.41Å; N804-D806 PolarHBondContact O-N 2.77Å; N804-G808 PolarHBondContact O-N 3.23Å
805	R	87.5	Confident	89.2	Confident	117 Å²	117	52.9 Å²	52.9	44%	0.442	26%	0.258	S	S	.	.	H	α-helix	trans	-61.5	-42.9	177.6	179.8	-161.5	63	-119.3	-5.8	112.2	D801 C802 C803 G808 K809	D801-R805 VanDerWaalsContact O-CB 3.28Å; D801-R805 WeakPolarHBondContact O-CB 3.12Å; D801-R805 PolarHBondContact O-N 3.11Å; D801-R805 VanDerWaalsContact O-N 3.09Å; C802-R805 PolarHBondContact SG-NH1 2.92Å; C802-R805 PolarHBondContact SG-NH2 3.44Å; C803-R805 PolarHBondContact O-N 3.14Å; R805-G808 PolarHBondContact O-N 3.46Å; R805-K809 WeakPolarHBondContact O-CG 3.34Å; R805-K809 PolarHBondContact O-N 2.9Å
806	D	89.1	Confident	89.1	Confident	18 Å²	18	52.2 Å²	52.2	10%	0.096	25%	0.253	C	S	.	.	H	α-helix	trans	-76.2	-32	-175	-70.4	8.9	0	0	0	112	I713 R717 C802 C803 N804 M810	I713-D806 HydrophobicContact CG2-CB 4.36Å; R717-D806 HydrophobicContact CG-CB 4.36Å; R717-D806 IonicContact CZ-OD2 3.95Å; R717-D806 IonicContact NE-OD2 2.91Å; R717-D806 IonicContact NH2-OD2 3.41Å; R717-D806 PolarHBondContact NH2-OD2 2.92Å; C802-D806 WeakPolarHBondContact O-CB 3.28Å; C802-D806 PolarHBondContact O-N 3.31Å; C803-D806 PolarHBondContact O-N 3.5Å; N804-D806 PolarHBondContact O-N 2.77Å; D806-M810 WeakPolarHBondContact O-CG 3.43Å; D806-M810 PolarHBondContact O-N 3.08Å
807	V	87.9	Confident	89	Confident	35 Å²	35	54.9 Å²	54.9	21%	0.212	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-46.1	165.5	168.9	0	0	0	0	110.5	V716 C803 K809 M810 R811	V716-V807 HydrophobicContact CG1-CG2 4.11Å; V716-V807 WeakPolarHBondContact O-CG2 3.15Å; C803-V807 WeakPolarHBondContact O-CB 3.43Å; C803-V807 VanDerWaalsContact O-CG2 3.29Å; C803-V807 WeakPolarHBondContact O-CG2 3.45Å; C803-V807 PolarHBondContact O-N 3.02Å; V807-K809 PolarHBondContact O-N 3.07Å; V807-M810 PolarHBondContact O-N 2.89Å; V807-M810 VanDerWaalsContact O-N 3.14Å; V807-R811 PolarHBondContact O-N 3.23Å
808	G	85.2	Confident	89.2	Confident	30 Å²	30	58.1 Å²	58.1	31%	0.309	28%	0.279	S	S	.	.	H	α-helix	trans	-56.9	-46.7	176	0	0	0	0	0	112.8	N804 R805 M810 R811 Q812	N804-G808 PolarHBondContact O-N 3.23Å; R805-G808 PolarHBondContact O-N 3.46Å; G808-M810 VanDerWaalsContact C-N 3.34Å; G808-M810 PolarHBondContact O-N 2.99Å; G808-R811 PolarHBondContact O-N 2.96Å; G808-Q812 WeakPolarHBondContact O-CG 3.45Å; G808-Q812 PolarHBondContact O-N 2.97Å
809	K	88.1	Confident	89.2	Confident	119 Å²	119	54.3 Å²	54.3	52%	0.517	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-39.2	174	-76.4	-172.4	171	-160	0	113.2	R805 V807 Q812 M813	R805-K809 WeakPolarHBondContact O-CG 3.34Å; R805-K809 PolarHBondContact O-N 2.9Å; V807-K809 PolarHBondContact O-N 3.07Å; K809-Q812 PolarHBondContact O-N 3.24Å; K809-M813 WeakPolarHBondContact O-CB 3.38Å; K809-M813 PolarHBondContact O-N 3.49Å
810	M	88.3	Confident	89	Confident	47 Å²	47	55.9 Å²	55.9	23%	0.232	28%	0.275	C	S	.	.	H	α-helix	trans	-69.3	-36.4	177.6	-63.9	-102.2	-61.2	0	0	111.6	R717 Y721 D806 V807 G808 M813 E814	R717-M810 HydrophobicContact CG-CE 3.94Å; R717-M810 HydrophobicContact CG-CG 3.47Å; R717-M810 VanDerWaalsContact CG-CG 3.47Å; R717-M810 HydrophobicContact CG-SD 3.75Å; Y721-M810 HydrophobicContact CD2-CE 4.02Å; Y721-M810 HydrophobicContact CE2-CE 3.49Å; Y721-M810 VanDerWaalsContact CE2-CE 3.49Å; D806-M810 WeakPolarHBondContact O-CG 3.43Å; D806-M810 PolarHBondContact O-N 3.08Å; V807-M810 PolarHBondContact O-N 2.89Å; V807-M810 VanDerWaalsContact O-N 3.14Å; G808-M810 VanDerWaalsContact C-N 3.34Å; G808-M810 PolarHBondContact O-N 2.99Å; M810-M813 PolarHBondContact O-N 3.16Å; M810-E814 WeakPolarHBondContact O-CG 3.31Å; M810-E814 PolarHBondContact O-N 3.1Å
811	R	86	Confident	89.2	Confident	165 Å²	165	62 Å²	62	62%	0.623	30%	0.301	S	S	*	.	H	α-helix	trans	-62.8	-45.9	172.6	-173.7	-173.5	-67.8	-176.2	-2.6	111.5	V807 G808 M813 E814 E815	V807-R811 PolarHBondContact O-N 3.23Å; G808-R811 PolarHBondContact O-N 2.96Å; R811-M813 VanDerWaalsContact C-N 3.28Å; R811-M813 PolarHBondContact O-N 2.89Å; R811-E814 PolarHBondContact O-N 2.68Å; R811-E815 PolarHBondContact O-N 2.93Å; R811-E815 VanDerWaalsContact O-N 3.07Å
812	Q	88.4	Confident	89.6	Confident	80 Å²	80	60.2 Å²	60.2	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-59.4	-40.1	174.1	-70.9	172.8	-30.9	0	0	111.6	G808 K809 E815 L816 F839	G808-Q812 WeakPolarHBondContact O-CG 3.45Å; G808-Q812 PolarHBondContact O-N 2.97Å; K809-Q812 PolarHBondContact O-N 3.24Å; Q812-E815 PolarHBondContact O-N 2.77Å; Q812-L816 WeakPolarHBondContact O-CG 3.4Å; Q812-L816 PolarHBondContact O-N 3.13Å; Q812-F839 HydrophobicContact CB-CB 4.44Å; Q812-F839 HydrophobicContact CG-CB 4.19Å
813	M	89.8	Confident	89.6	Confident	53 Å²	53	59.5 Å²	59.5	26%	0.261	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-38.6	176.4	-171.9	59.5	61.4	0	0	112.9	K809 M810 R811 L816 I817 I834	K809-M813 WeakPolarHBondContact O-CB 3.38Å; K809-M813 PolarHBondContact O-N 3.49Å; M810-M813 PolarHBondContact O-N 3.16Å; R811-M813 VanDerWaalsContact C-N 3.28Å; R811-M813 PolarHBondContact O-N 2.89Å; M813-L816 PolarHBondContact O-N 3.42Å; M813-I817 HydrophobicContact CG-CD1 4.01Å; M813-I817 WeakPolarHBondContact O-CB 3.23Å; M813-I817 WeakPolarHBondContact O-CD1 3.38Å; M813-I817 VanDerWaalsContact O-CG1 3.23Å; M813-I817 WeakPolarHBondContact O-CG1 3.44Å; M813-I817 PolarHBondContact O-N 3.26Å; M813-I817 HydrophobicContact SD-CD1 4.45Å; M813-I834 HydrophobicContact SD-CG2 3.65Å
814	E	89.2	Confident	89.6	Confident	29 Å²	29	62.9 Å²	62.9	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-48.4	171.7	-74	-168.1	128.4	0	0	111.2	Y721 K724 M810 R811 L816 I817 E818	Y721-E814 HydrophobicContact CE2-CG 4.35Å; Y721-E814 WeakPolarHBondContact OH-CG 3.21Å; K724-E814 IonicContact NZ-OE1 3.93Å; K724-E814 PolarHBondContact NZ-OE1 3.44Å; K724-E814 IonicContact NZ-OE2 2.71Å; K724-E814 PolarHBondContact NZ-OE2 3.31Å; M810-E814 WeakPolarHBondContact O-CG 3.31Å; M810-E814 PolarHBondContact O-N 3.1Å; R811-E814 PolarHBondContact O-N 2.68Å; E814-L816 PolarHBondContact O-N 3.37Å; E814-I817 WeakPolarHBondContact O-CB 3.45Å; E814-I817 PolarHBondContact O-N 2.99Å; E814-I817 VanDerWaalsContact O-N 3.11Å; E814-E818 WeakPolarHBondContact O-CG 3.5Å; E814-E818 PolarHBondContact O-N 2.9Å
815	E	90.1	Very high	89.7	Confident	47 Å²	47	61 Å²	61	22%	0.22	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-42.8	178.2	178.8	172.1	-142.1	0	0	112	R811 Q812 I817 E818 I819 L840 K843	R811-E815 PolarHBondContact O-N 2.93Å; R811-E815 VanDerWaalsContact O-N 3.07Å; Q812-E815 PolarHBondContact O-N 2.77Å; E815-I817 VanDerWaalsContact C-N 3.29Å; E815-I817 PolarHBondContact O-N 3.23Å; E815-E818 PolarHBondContact O-N 3.32Å; E815-I819 HydrophobicContact CG-CD1 3.61Å; E815-I819 HydrophobicContact CG-CG1 4.22Å; E815-I819 WeakPolarHBondContact O-CB 3.37Å; E815-I819 VanDerWaalsContact O-CG1 3.32Å; E815-I819 WeakPolarHBondContact O-CG1 3.48Å; E815-I819 PolarHBondContact O-N 3.01Å; E815-L840 VanDerWaalsContact OE1-CD2 3.3Å; E815-L840 WeakPolarHBondContact OE1-CD2 3.31Å; E815-K843 IonicContact OE1-NZ 3.76Å; E815-K843 PolarHBondContact OE1-NZ 2.83Å
816	L	93.2	Very high	89	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-37	174.3	-70.5	-170.2	0	0	0	112.6	Q812 M813 E814 S820 R838 F870	Q812-L816 WeakPolarHBondContact O-CG 3.4Å; Q812-L816 PolarHBondContact O-N 3.13Å; M813-L816 PolarHBondContact O-N 3.42Å; E814-L816 PolarHBondContact O-N 3.37Å; L816-S820 WeakPolarHBondContact O-CB 3.39Å; L816-S820 PolarHBondContact O-N 3.41Å; L816-R838 HydrophobicContact CD1-CB 3.9Å; L816-R838 HydrophobicContact CD1-CG 4.22Å; L816-R838 WeakPolarHBondContact CD1-O 3.26Å; L816-R838 HydrophobicContact CD2-CG 4.19Å; L816-F870 HydrophobicContact CD2-CD1 3.86Å; L816-F870 HydrophobicContact CD2-CE1 3.51Å
817	I	91.7	Very high	88	Confident	57 Å²	57	66.1 Å²	66.1	29%	0.292	32%	0.317	S	S	.	.	H	α-helix	trans	-68.2	-38.4	176.5	-73.5	164.5	0	0	0	110.8	M813 E814 E815 K821 I834	M813-I817 HydrophobicContact CG-CD1 4.01Å; M813-I817 WeakPolarHBondContact O-CB 3.23Å; M813-I817 WeakPolarHBondContact O-CD1 3.38Å; M813-I817 VanDerWaalsContact O-CG1 3.23Å; M813-I817 WeakPolarHBondContact O-CG1 3.44Å; M813-I817 PolarHBondContact O-N 3.26Å; M813-I817 HydrophobicContact SD-CD1 4.45Å; E814-I817 WeakPolarHBondContact O-CB 3.45Å; E814-I817 PolarHBondContact O-N 2.99Å; E814-I817 VanDerWaalsContact O-N 3.11Å; E815-I817 VanDerWaalsContact C-N 3.29Å; E815-I817 PolarHBondContact O-N 3.23Å; I817-K821 VanDerWaalsContact O-CG 3.31Å; I817-K821 WeakPolarHBondContact O-CG 3.4Å; I817-K821 PolarHBondContact O-N 3.45Å; I817-I834 HydrophobicContact CG1-CD1 3.82Å; I817-I834 HydrophobicContact CG1-CG1 4.11Å
818	E	91.1	Very high	87.3	Confident	93 Å²	93	67.3 Å²	67.3	44%	0.435	32%	0.319	S	S	.	.	H	α-helix	trans	-70	-49.1	177.3	-73.2	168.9	-178.2	0	0	111.6	E814 E815 S820 K821 M822	E814-E818 WeakPolarHBondContact O-CG 3.5Å; E814-E818 PolarHBondContact O-N 2.9Å; E815-E818 PolarHBondContact O-N 3.32Å; E818-S820 VanDerWaalsContact C-N 3.26Å; E818-S820 PolarHBondContact O-N 2.82Å; E818-K821 WeakPolarHBondContact O-CB 3.44Å; E818-K821 PolarHBondContact O-N 2.88Å; E818-M822 PolarHBondContact O-N 3.03Å
819	I	92.5	Very high	86.7	Confident	3 Å²	3	76.7 Å²	76.7	2%	0.015	35%	0.345	C	S	.	.	H	α-helix	trans	-58	-40.6	173.2	-66.5	171.2	0	0	0	110.7	E815 K821 M822 L823 I833 L840 F868 F870	E815-I819 HydrophobicContact CG-CD1 3.61Å; E815-I819 HydrophobicContact CG-CG1 4.22Å; E815-I819 WeakPolarHBondContact O-CB 3.37Å; E815-I819 VanDerWaalsContact O-CG1 3.32Å; E815-I819 WeakPolarHBondContact O-CG1 3.48Å; E815-I819 PolarHBondContact O-N 3.01Å; I819-K821 PolarHBondContact O-N 3.33Å; I819-M822 HydrophobicContact CG1-CE 4.11Å; I819-M822 PolarHBondContact O-N 3.49Å; I819-M822 VanDerWaalsContact O-N 3.14Å; I819-L823 HydrophobicContact CG2-CD1 3.53Å; I819-L823 HydrophobicContact CG2-CG 4.09Å; I819-L823 VanDerWaalsContact O-CG 3.29Å; I819-L823 WeakPolarHBondContact O-CG 3.46Å; I819-L823 PolarHBondContact O-N 3.44Å; I819-L823 VanDerWaalsContact O-N 3.11Å; I819-I833 HydrophobicContact CG2-CG2 4.46Å; I819-L840 HydrophobicContact CD1-CD1 4.16Å; I819-L840 HydrophobicContact CD1-CD2 4.02Å; I819-L840 HydrophobicContact CD1-CG 4.48Å; I819-F868 HydrophobicContact CD1-CD1 4.14Å; I819-F868 HydrophobicContact CD1-CE1 4.32Å; I819-F868 HydrophobicContact CG1-CD1 4.41Å; I819-F868 HydrophobicContact CG1-CE1 4.16Å; I819-F868 HydrophobicContact CG2-CD1 3.94Å; I819-F868 HydrophobicContact CG2-CE1 3.96Å; I819-F870 HydrophobicContact CD1-CE1 4.44Å; I819-F870 HydrophobicContact CG2-CZ 4.07Å
820	S	91.9	Very high	86.3	Confident	44 Å²	44	73.7 Å²	73.7	31%	0.308	34%	0.343	S	S	.	.	H	α-helix	trans	-68.3	-15.2	176.5	-168.7	0	0	0	0	114.8	L816 E818	L816-S820 WeakPolarHBondContact O-CB 3.39Å; L816-S820 PolarHBondContact O-N 3.41Å; E818-S820 VanDerWaalsContact C-N 3.26Å; E818-S820 PolarHBondContact O-N 2.82Å
821	K	91.4	Very high	86.1	Confident	150 Å²	150	72.8 Å²	72.8	65%	0.652	34%	0.338	S	S	*	.	H	α-helix	trans	-84.4	-33.6	169.7	-66.5	160	-166.1	162	0	111.7	I817 E818 I819	I817-K821 VanDerWaalsContact O-CG 3.31Å; I817-K821 WeakPolarHBondContact O-CG 3.4Å; I817-K821 PolarHBondContact O-N 3.45Å; E818-K821 WeakPolarHBondContact O-CB 3.44Å; E818-K821 PolarHBondContact O-N 2.88Å; I819-K821 PolarHBondContact O-N 3.33Å
822	M	92	Very high	86.1	Confident	52 Å²	52	69.7 Å²	69.7	26%	0.256	34%	0.34	S	S	.	.	H	α-helix	trans	-80.8	-18.2	-177.5	-63.7	-171.9	-75.1	0	0	113.6	E818 I819 D883 R884 Y885	E818-M822 PolarHBondContact O-N 3.03Å; I819-M822 HydrophobicContact CG1-CE 4.11Å; I819-M822 PolarHBondContact O-N 3.49Å; I819-M822 VanDerWaalsContact O-N 3.14Å; M822-D883 WeakPolarHBondContact CA-O 3.31Å; M822-D883 VanDerWaalsContact CB-O 3.27Å; M822-D883 WeakPolarHBondContact CB-O 3.46Å; M822-D883 HydrophobicContact CG-CB 4.39Å; M822-D883 VanDerWaalsContact CG-O 3.31Å; M822-D883 WeakPolarHBondContact CG-O 3.48Å; M822-D883 HydrophobicContact SD-CB 4.34Å; M822-R884 WeakPolarHBondContact O-CA 3.3Å; M822-Y885 HydrophobicContact CB-CD2 4.04Å; M822-Y885 HydrophobicContact CB-CE2 4.47Å; M822-Y885 PolarHBondContact O-N 2.93Å; M822-Y885 HydrophobicContact SD-CE2 4.27Å
823	L	92.8	Very high	86.2	Confident	16 Å²	16	66 Å²	66	8%	0.084	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	122.1	-177.1	-72.9	169.4	0	0	0	113.6	I819 F825 I833 F868 L875 T877 Y885 V887	I819-L823 HydrophobicContact CG2-CD1 3.53Å; I819-L823 HydrophobicContact CG2-CG 4.09Å; I819-L823 VanDerWaalsContact O-CG 3.29Å; I819-L823 WeakPolarHBondContact O-CG 3.46Å; I819-L823 PolarHBondContact O-N 3.44Å; I819-L823 VanDerWaalsContact O-N 3.11Å; L823-F825 HydrophobicContact CB-CE2 4.42Å; L823-I833 HydrophobicContact CD1-CD1 3.71Å; L823-I833 HydrophobicContact CD1-CG1 3.81Å; L823-F868 HydrophobicContact CD2-CD2 4.12Å; L823-F868 HydrophobicContact CD2-CE2 3.89Å; L823-L875 HydrophobicContact CD1-CD1 3.55Å; L823-L875 HydrophobicContact CD2-CD1 3.99Å; L823-L875 HydrophobicContact CG-CD1 4.47Å; L823-T877 HydrophobicContact CD2-CG2 3.91Å; L823-Y885 WeakPolarHBondContact CA-O 3.5Å; L823-V887 HydrophobicContact CD2-CG2 3.81Å
824	E	89.8	Confident	86.2	Confident	73 Å²	73	67.3 Å²	67.3	34%	0.341	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.4	172.7	-78.8	-179.6	-170.5	0	0	111	R884 Y885 V886 V887	E824-R884 WeakPolarHBondContact OE1-CD 3.45Å; E824-R884 IonicContact OE1-CZ 3.04Å; E824-R884 IonicContact OE1-NE 2.7Å; E824-R884 IonicContact OE1-NH1 2.9Å; E824-R884 PolarHBondContact OE1-NH1 2.84Å; E824-R884 IonicContact OE2-NH1 2.74Å; E824-Y885 PolarHBondContact N-O 3.14Å; E824-V886 HydrophobicContact CB-CG2 3.86Å; E824-V886 WeakPolarHBondContact O-CA 3.26Å; E824-V886 WeakPolarHBondContact OE2-CG2 3.11Å; E824-V887 PolarHBondContact O-N 3.21Å
825	F	87.2	Confident	86.2	Confident	53 Å²	53	67.9 Å²	67.9	23%	0.232	34%	0.337	C	S	.	.			trans	-100.2	97.9	173.4	-68.9	-93.1	0	0	0	110.7	L823 A830 I831 I833 V887	L823-F825 HydrophobicContact CB-CE2 4.42Å; F825-A830 HydrophobicContact CB-CB 3.95Å; F825-A830 HydrophobicContact CD1-CB 4.09Å; F825-A830 HydrophobicContact CD2-CB 3.71Å; F825-A830 HydrophobicContact CE1-CB 4.49Å; F825-A830 HydrophobicContact CE2-CB 4.15Å; F825-A830 HydrophobicContact CG-CB 3.66Å; F825-I831 HydrophobicContact CE1-CG1 4.22Å; F825-I831 HydrophobicContact CZ-CG1 3.96Å; F825-I833 HydrophobicContact CE2-CG1 4.35Å; F825-I833 HydrophobicContact CZ-CD1 4.13Å; F825-I833 HydrophobicContact CZ-CG1 4.35Å; F825-V887 HydrophobicContact CD1-CB 3.9Å; F825-V887 HydrophobicContact CD1-CG1 4.16Å; F825-V887 HydrophobicContact CD1-CG2 3.95Å; F825-V887 HydrophobicContact CE1-CB 4.04Å; F825-V887 HydrophobicContact CE1-CG1 3.98Å; F825-V887 HydrophobicContact CE1-CG2 3.77Å; F825-V887 HydrophobicContact CE2-CG2 4.37Å; F825-V887 HydrophobicContact CG-CG2 4.36Å; F825-V887 HydrophobicContact CZ-CG2 4Å
826	D	73.3	Confident	85.9	Confident	93 Å²	93	74.2 Å²	74.2	50%	0.497	37%	0.367	S	S	.	.	S	Bend	trans	-75.7	-56.4	-174.4	178.4	25	0	0	0	113.1	V886	D826-V886 HydrophobicContact CB-CG1 3.92Å
827	K	67.9	Low	85.6	Confident	149 Å²	149	79.2 Å²	79.2	65%	0.648	40%	0.397	S	S	*	.	S	Bend	trans	-118.3	-2.4	-163.5	-71.3	167.9	-174.4	149.8	0	115.8
828	F	73.6	Confident	85.6	Confident	59 Å²	59	77.3 Å²	77.3	26%	0.259	39%	0.386	S	S	.	.	S	Bend	trans	-132.4	161.7	-165.8	-47.9	-57	0	0	0	110.9	A830 M888 H922	F828-A830 PolarHBondContact O-N 3.11Å; F828-A830 VanDerWaalsContact O-N 3.11Å; F828-M888 VanDerWaalsContact CE2-O 3.29Å; F828-M888 WeakPolarHBondContact CE2-O 3.42Å; F828-H922 AromaticContact CD1-CD2 3.89Å; F828-H922 AromaticContact CD1-CE1 3.95Å; F828-H922 AromaticContact CD1-NE2 3.05Å; F828-H922 WeakPolarHBondContact CD1-NE2 3.41Å; F828-H922 AromaticContact CD2-CE1 3.99Å; F828-H922 AromaticContact CD2-NE2 3.81Å; F828-H922 AromaticContact CE1-NE2 3.38Å; F828-H922 WeakPolarHBondContact CE1-NE2 3.31Å; F828-H922 AromaticContact CG-CD2 3.95Å; F828-H922 AromaticContact CG-CE1 3.93Å; F828-H922 AromaticContact CG-NE2 3.29Å; F828-H922 VanDerWaalsContact CG-NE2 3.29Å; F828-H922 WeakPolarHBondContact CG-NE2 3.4Å; F828-H922 AromaticContact CZ-NE2 3.88Å
829	R	72.5	Confident	85.5	Confident	227 Å²	227	76.4 Å²	76.4	86%	0.857	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-61.4	116.3	174.7	179.4	178.2	178.2	176.2	-1.7	108.8	I831	R829-I831 PolarHBondContact O-N 2.85Å
830	A	78.9	Confident	85.5	Confident	57 Å²	57	76.7 Å²	76.7	47%	0.471	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-59.6	132.8	173.7	0	0	0	0	0	110.5	F825 F828	F825-A830 HydrophobicContact CB-CB 3.95Å; F825-A830 HydrophobicContact CD1-CB 4.09Å; F825-A830 HydrophobicContact CD2-CB 3.71Å; F825-A830 HydrophobicContact CE1-CB 4.49Å; F825-A830 HydrophobicContact CE2-CB 4.15Å; F825-A830 HydrophobicContact CG-CB 3.66Å; F828-A830 PolarHBondContact O-N 3.11Å; F828-A830 VanDerWaalsContact O-N 3.11Å
831	I	83.9	Confident	85.4	Confident	27 Å²	27	76.7 Å²	76.7	14%	0.138	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-88.4	144.2	168.8	65.1	171.5	0	0	0	109.1	F825 R829 I833 L875 H890	F825-I831 HydrophobicContact CE1-CG1 4.22Å; F825-I831 HydrophobicContact CZ-CG1 3.96Å; R829-I831 PolarHBondContact O-N 2.85Å; I831-I833 HydrophobicContact CD1-CD1 4.28Å; I831-I833 HydrophobicContact CG1-CD1 4Å; I831-I833 PolarHBondContact O-N 3.25Å; I831-I833 VanDerWaalsContact O-N 3.1Å; I831-L875 HydrophobicContact CD1-CD2 3.94Å; I831-H890 WeakPolarHBondContact CG2-NE2 3.44Å
832	P	86.1	Confident	85.5	Confident	101 Å²	101	69.6 Å²	69.6	66%	0.656	35%	0.347	S	S	*	.			trans	-67.7	110.4	172.9	27.9	-32.1	0	0	0	108.4	R838	P832-R838 PolarHBondContact O-NH1 2.7Å
833	I	90.8	Very high	85.6	Confident	3 Å²	3	69.7 Å²	69.7	2%	0.015	35%	0.346	C	S	.	.			trans	-70.3	-46.2	179.2	-63.3	-63.7	0	0	0	110.6	I819 L823 F825 I831 S835 R838 F870 L875	I819-I833 HydrophobicContact CG2-CG2 4.46Å; L823-I833 HydrophobicContact CD1-CD1 3.71Å; L823-I833 HydrophobicContact CD1-CG1 3.81Å; F825-I833 HydrophobicContact CE2-CG1 4.35Å; F825-I833 HydrophobicContact CZ-CD1 4.13Å; F825-I833 HydrophobicContact CZ-CG1 4.35Å; I831-I833 HydrophobicContact CD1-CD1 4.28Å; I831-I833 HydrophobicContact CG1-CD1 4Å; I831-I833 PolarHBondContact O-N 3.25Å; I831-I833 VanDerWaalsContact O-N 3.1Å; I833-S835 PolarHBondContact O-N 2.84Å; I833-R838 WeakPolarHBondContact O-CD 3.45Å; I833-R838 PolarHBondContact O-NH1 3.17Å; I833-F870 HydrophobicContact CD1-CE2 4.47Å; I833-F870 HydrophobicContact CG2-CZ 4.25Å; I833-L875 HydrophobicContact CD1-CD1 3.86Å
834	I	90.5	Very high	85.6	Confident	80 Å²	80	69.4 Å²	69.4	41%	0.41	35%	0.346	S	S	.	.			trans	-69.6	120.8	177.6	-58.7	167.3	0	0	0	109.3	M813 I817	M813-I834 HydrophobicContact SD-CG2 3.65Å; I817-I834 HydrophobicContact CG1-CD1 3.82Å; I817-I834 HydrophobicContact CG1-CG1 4.11Å
835	S	88.9	Confident	85.8	Confident	40 Å²	40	70.5 Å²	70.5	28%	0.28	35%	0.351	S	S	.	.			trans	-154.8	146.2	177.9	178.6	0	0	0	0	110.2	I833 T837 R838	I833-S835 PolarHBondContact O-N 2.84Å; S835-T837 PolarHBondContact O-N 3.42Å; S835-R838 PolarHBondContact O-N 2.93Å
836	E	84.3	Confident	86.1	Confident	181 Å²	181	68 Å²	68	85%	0.846	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.9	-179.5	-62.8	-175.4	-177.2	0	0	114.3
837	T	86.6	Confident	87	Confident	105 Å²	105	67.8 Å²	67.8	64%	0.644	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-0.7	-177.1	61.8	0	0	0	0	113.4	S835 N871	S835-T837 PolarHBondContact O-N 3.42Å; T837-N871 PolarHBondContact O-ND2 3.36Å
838	R	90.8	Very high	88.2	Confident	17 Å²	17	62.3 Å²	62.3	6%	0.064	31%	0.313	C	S	.	.			trans	-95.1	145.6	179.8	-173.5	172.9	-67.9	140.3	4	110.7	L816 P832 I833 S835 F870 N871 D872 H873	L816-R838 HydrophobicContact CD1-CB 3.9Å; L816-R838 HydrophobicContact CD1-CG 4.22Å; L816-R838 WeakPolarHBondContact CD1-O 3.26Å; L816-R838 HydrophobicContact CD2-CG 4.19Å; P832-R838 PolarHBondContact O-NH1 2.7Å; I833-R838 WeakPolarHBondContact O-CD 3.45Å; I833-R838 PolarHBondContact O-NH1 3.17Å; S835-R838 PolarHBondContact O-N 2.93Å; R838-F870 HydrophobicContact CG-CB 3.8Å; R838-F870 HydrophobicContact CG-CD1 3.85Å; R838-F870 HydrophobicContact CG-CG 4.01Å; R838-N871 VanDerWaalsContact CA-OD1 3.26Å; R838-N871 WeakPolarHBondContact CA-OD1 3.33Å; R838-D872 IonicContact CZ-OD1 2.73Å; R838-D872 IonicContact CZ-OD2 2.68Å; R838-D872 IonicContact NE-OD1 3.36Å; R838-D872 PolarHBondContact NE-OD1 2.86Å; R838-D872 IonicContact NE-OD2 3.02Å; R838-D872 PolarHBondContact NE-OD2 3.5Å; R838-D872 IonicContact NH2-OD1 3.07Å; R838-D872 PolarHBondContact NH2-OD1 2.66Å; R838-D872 IonicContact NH2-OD2 3.74Å; R838-D872 PolarHBondContact NH2-OD2 2.91Å; R838-H873 PolarHBondContact NH2-ND1 2.85Å; R838-H873 VanDerWaalsContact NH2-ND1 3.16Å
839	F	90.3	Very high	88.7	Confident	74 Å²	74	60.2 Å²	60.2	33%	0.325	30%	0.304	S	S	.	.			trans	-144.8	157.6	162.9	56.2	-87.9	0	0	0	109.1	Q812 E841 F870 N871	Q812-F839 HydrophobicContact CB-CB 4.44Å; Q812-F839 HydrophobicContact CG-CB 4.19Å; F839-E841 HydrophobicContact CD2-CG 4.22Å; F839-E841 HydrophobicContact CE2-CG 3.81Å; F839-F870 VanDerWaalsContact O-CA 3.3Å; F839-F870 WeakPolarHBondContact O-CA 3.28Å; F839-F870 WeakPolarHBondContact O-CB 3.41Å; F839-N871 HydrophobicContact CD1-CB 4.09Å; F839-N871 HydrophobicContact CD2-CB 4.28Å; F839-N871 HydrophobicContact CE1-CB 3.65Å; F839-N871 VanDerWaalsContact CE1-ND2 3.31Å; F839-N871 WeakPolarHBondContact CE1-ND2 3.35Å; F839-N871 HydrophobicContact CE2-CB 3.86Å; F839-N871 HydrophobicContact CG-CB 4.39Å; F839-N871 HydrophobicContact CZ-CB 3.52Å; F839-N871 PolarHBondContact N-OD1 2.89Å; F839-N871 PolarHBondContact O-N 3.16Å; F839-N871 PolarHBondContact O-OD1 2.8Å
840	L	92.4	Very high	89	Confident	9 Å²	9	51.6 Å²	51.6	5%	0.047	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.1	171.8	-172	78	0	0	0	109.2	E815 I819 K843 F868 L869 F870 A979	E815-L840 VanDerWaalsContact OE1-CD2 3.3Å; E815-L840 WeakPolarHBondContact OE1-CD2 3.31Å; I819-L840 HydrophobicContact CD1-CD1 4.16Å; I819-L840 HydrophobicContact CD1-CD2 4.02Å; I819-L840 HydrophobicContact CD1-CG 4.48Å; L840-K843 HydrophobicContact CD1-CB 4.44Å; L840-K843 HydrophobicContact CD2-CB 3.95Å; L840-K843 HydrophobicContact CD2-CD 3.55Å; L840-K843 HydrophobicContact CD2-CG 3.78Å; L840-F868 HydrophobicContact CD1-CB 4.24Å; L840-F868 HydrophobicContact CD1-CD1 4.33Å; L840-L869 WeakPolarHBondContact CD1-O 3.48Å; L840-F870 HydrophobicContact CB-CD1 4.21Å; L840-F870 HydrophobicContact CB-CE1 4.35Å; L840-F870 HydrophobicContact CD1-CD1 3.88Å; L840-F870 HydrophobicContact CD1-CE1 3.73Å; L840-F870 HydrophobicContact CD1-CZ 4.26Å; L840-A979 HydrophobicContact CB-CB 4.29Å; L840-A979 HydrophobicContact CD2-CB 3.81Å; L840-A979 HydrophobicContact CG-CB 4.04Å
841	E	90.3	Very high	88.1	Confident	45 Å²	45	53.8 Å²	53.8	21%	0.21	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-41.6	172	-68.6	174.4	141.9	0	0	111.4	F839 L869 N871 R893 A979 D980	F839-E841 HydrophobicContact CD2-CG 4.22Å; F839-E841 HydrophobicContact CE2-CG 3.81Å; E841-L869 HydrophobicContact CB-CG 4.41Å; E841-L869 PolarHBondContact N-O 2.93Å; E841-N871 HydrophobicContact CG-CB 4.14Å; E841-N871 WeakPolarHBondContact OE1-CA 3Å; E841-N871 WeakPolarHBondContact OE2-CA 3.42Å; E841-N871 PolarHBondContact OE2-N 2.92Å; E841-R893 IonicContact OE1-CZ 3.28Å; E841-R893 IonicContact OE1-NE 3.86Å; E841-R893 PolarHBondContact OE1-NE 2.84Å; E841-R893 IonicContact OE1-NH1 3.78Å; E841-R893 IonicContact OE1-NH2 3.67Å; E841-R893 IonicContact OE2-CZ 2.64Å; E841-R893 IonicContact OE2-NE 2.76Å; E841-R893 PolarHBondContact OE2-NE 2.84Å; E841-R893 IonicContact OE2-NH1 2.73Å; E841-R893 PolarHBondContact OE2-NH1 2.8Å; E841-R893 IonicContact OE2-NH2 3.43Å; E841-A979 CarbonylContact O-C 3.52Å; E841-A979 WeakPolarHBondContact O-CB 3.18Å; E841-D980 WeakPolarHBondContact O-CA 3.27Å; E841-D980 PolarHBondContact O-N 2.78Å
842	K	92.7	Very high	86.4	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	149.5	176	-170.7	164.4	179	71.4	0	111.9	L869 D938 W942 D980	K842-L869 HydrophobicContact CB-CB 4.43Å; K842-L869 PolarHBondContact N-O 3.29Å; K842-L869 VanDerWaalsContact N-O 3.12Å; K842-L869 PolarHBondContact O-N 2.92Å; K842-D938 VanDerWaalsContact CE-OD1 3.27Å; K842-D938 WeakPolarHBondContact CE-OD1 3.46Å; K842-D938 IonicContact NZ-OD1 3.13Å; K842-D938 PolarHBondContact NZ-OD1 3.02Å; K842-W942 HydrophobicContact CB-CH2 4.2Å; K842-W942 HydrophobicContact CB-CZ3 4.13Å; K842-W942 HydrophobicContact CD-CD2 3.78Å; K842-W942 HydrophobicContact CD-CE3 3.93Å; K842-W942 HydrophobicContact CD-CG 4.29Å; K842-W942 HydrophobicContact CD-CH2 4.26Å; K842-W942 HydrophobicContact CD-CZ2 4.13Å; K842-W942 HydrophobicContact CD-CZ3 4.16Å; K842-W942 VanDerWaalsContact CE-CE2 3.46Å; K842-W942 HydrophobicContact CG-CD2 4.39Å; K842-W942 HydrophobicContact CG-CE3 4.3Å; K842-W942 HydrophobicContact CG-CH2 3.79Å; K842-W942 HydrophobicContact CG-CZ2 3.88Å; K842-W942 HydrophobicContact CG-CZ3 4.01Å; K842-D980 HydrophobicContact CB-CB 4.47Å; K842-D980 HydrophobicContact CD-CB 4.42Å; K842-D980 WeakPolarHBondContact CG-OD1 3.4Å; K842-D980 VanDerWaalsContact NZ-CG 3.35Å; K842-D980 IonicContact NZ-OD1 2.71Å; K842-D980 PolarHBondContact NZ-OD1 3.27Å; K842-D980 IonicContact NZ-OD2 3.85Å; K842-D980 PolarHBondContact NZ-OD2 2.84Å
843	K	94	Very high	84.7	Confident	55 Å²	55	59.7 Å²	59.7	24%	0.239	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.6	171.1	61.9	-174.8	167.7	-157.9	0	110.1	E815 L840 Y866 L867 F868	E815-K843 IonicContact OE1-NZ 3.76Å; E815-K843 PolarHBondContact OE1-NZ 2.83Å; L840-K843 HydrophobicContact CD1-CB 4.44Å; L840-K843 HydrophobicContact CD2-CB 3.95Å; L840-K843 HydrophobicContact CD2-CD 3.55Å; L840-K843 HydrophobicContact CD2-CG 3.78Å; K843-Y866 HydrophobicContact CB-CE1 4.01Å; K843-L867 VanDerWaalsContact CA-O 3.29Å; K843-L867 WeakPolarHBondContact CA-O 3.4Å; K843-F868 HydrophobicContact CB-CD1 4.05Å; K843-F868 HydrophobicContact CB-CE1 4.45Å
844	G	92.7	Very high	82.7	Confident	9 Å²	9	64.3 Å²	64.3	9%	0.093	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.1	165.7	179.5	0	0	0	0	0	115	Y866 L867	G844-Y866 WeakPolarHBondContact O-CA 3.38Å; G844-L867 PolarHBondContact N-O 3.21Å; G844-L867 PolarHBondContact O-N 2.71Å
845	E	93.6	Very high	80.7	Confident	96 Å²	96	70.8 Å²	70.8	45%	0.449	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.6	176.5	-168.3	170.1	158.5	0	0	111.2	P864 Y866	E845-P864 VanDerWaalsContact OE1-CB 3.26Å; E845-P864 WeakPolarHBondContact OE1-CB 3.48Å; E845-Y866 HydrophobicContact CB-CD2 3.89Å; E845-Y866 HydrophobicContact CB-CE2 4.39Å
846	L	94.5	Very high	78.8	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	165.7	177.1	-63.9	178.5	0	0	0	109.6	P864 V865 L867 F914 L931 A933 W942	L846-P864 WeakPolarHBondContact O-CA 3.32Å; L846-V865 HydrophobicContact CB-CG2 4.15Å; L846-V865 PolarHBondContact N-O 3.31Å; L846-V865 WeakPolarHBondContact O-CG2 3.21Å; L846-V865 PolarHBondContact O-N 2.74Å; L846-L867 HydrophobicContact CD1-CD1 4.05Å; L846-L867 HydrophobicContact CD1-CD2 3.81Å; L846-L867 HydrophobicContact CD1-CG 4.47Å; L846-F914 HydrophobicContact CD1-CE1 4.01Å; L846-F914 HydrophobicContact CD1-CZ 3.71Å; L846-F914 HydrophobicContact CD2-CE1 4.43Å; L846-L931 HydrophobicContact CD1-CB 4.37Å; L846-L931 HydrophobicContact CD1-CD1 3.86Å; L846-A933 HydrophobicContact CD2-CB 3.73Å; L846-W942 HydrophobicContact CD1-CD2 4.27Å; L846-W942 HydrophobicContact CD1-CG 4.42Å; L846-W942 HydrophobicContact CD1-CZ2 4.5Å
847	Q	92.5	Very high	77.2	Confident	89 Å²	89	72.7 Å²	72.7	42%	0.416	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112	176.3	-67.6	-176.5	4.2	0	0	110.8	F862 L931 K932	Q847-F862 HydrophobicContact CB-CB 4.16Å; Q847-F862 HydrophobicContact CB-CD1 3.92Å; Q847-F862 HydrophobicContact CB-CG 4.41Å; Q847-L931 CarbonylContact O-C 3.55Å; Q847-L931 WeakPolarHBondContact O-CA 3.44Å; Q847-K932 HydrophobicContact CB-CB 4.27Å; Q847-K932 PolarHBondContact N-O 3.12Å; Q847-K932 PolarHBondContact O-N 2.87Å
848	E	91.3	Very high	75.6	Confident	33 Å²	33	72.9 Å²	72.9	15%	0.154	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126.8	172.7	-174.2	-175.8	172.4	0	0	110.3	F862 S863 V865 R929 L930 L931	E848-F862 CarbonylContact O-C 3.57Å; E848-F862 WeakPolarHBondContact O-CA 3.42Å; E848-S863 PolarHBondContact N-O 3.11Å; E848-S863 PolarHBondContact O-N 2.71Å; E848-S863 PolarHBondContact O-OG 3.43Å; E848-V865 HydrophobicContact CB-CG1 3.89Å; E848-V865 HydrophobicContact CB-CG2 4.12Å; E848-R929 VanDerWaalsContact OE1-CD 3.23Å; E848-R929 WeakPolarHBondContact OE1-CD 3.34Å; E848-R929 IonicContact OE1-CZ 2.75Å; E848-R929 IonicContact OE1-NE 3.25Å; E848-R929 IonicContact OE1-NH1 2.69Å; E848-R929 PolarHBondContact OE1-NH1 3.5Å; E848-R929 IonicContact OE2-CZ 2.7Å; E848-R929 IonicContact OE2-NH1 2.63Å; E848-R929 PolarHBondContact OE2-NH1 2.9Å; E848-L930 WeakPolarHBondContact CA-O 3.43Å; E848-L931 HydrophobicContact CB-CD2 3.91Å; E848-L931 HydrophobicContact CG-CD2 4.18Å
849	M	85.9	Confident	74.1	Confident	15 Å²	15	82.7 Å²	82.7	7%	0.074	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	109.6	174.6	178.5	169	154.4	0	0	111.1	K851 A860 F862 Y910 L930	M849-K851 PolarHBondContact O-N 2.9Å; M849-A860 HydrophobicContact CE-CB 3.65Å; M849-A860 HydrophobicContact CG-CB 4Å; M849-A860 HydrophobicContact SD-CB 3.59Å; M849-A860 VanDerWaalsContact SD-CB 3.59Å; M849-F862 HydrophobicContact CB-CD1 4.02Å; M849-F862 HydrophobicContact CB-CE1 3.75Å; M849-F862 HydrophobicContact CB-CZ 4.44Å; M849-F862 HydrophobicContact CG-CE1 4.21Å; M849-F862 HydrophobicContact CG-CZ 4.42Å; M849-F862 HydrophobicContact SD-CE1 4.2Å; M849-F862 HydrophobicContact SD-CZ 4.03Å; M849-Y910 HydrophobicContact CE-CE1 4.16Å; M849-Y910 HydrophobicContact CE-CE2 4.18Å; M849-Y910 HydrophobicContact SD-CD1 4.2Å; M849-Y910 HydrophobicContact SD-CE1 3.89Å; M849-L930 HydrophobicContact CB-CB 4.29Å; M849-L930 HydrophobicContact CB-CD2 4.07Å; M849-L930 HydrophobicContact CB-CG 3.98Å; M849-L930 HydrophobicContact CE-CD2 4.19Å; M849-L930 HydrophobicContact CG-CD2 4.13Å; M849-L930 PolarHBondContact N-O 2.92Å; M849-L930 HydrophobicContact SD-CD2 3.59Å; M849-L930 VanDerWaalsContact SD-CD2 3.59Å; M849-L930 HydrophobicContact SD-CG 4.42Å
850	S	77.2	Confident	73	Confident	46 Å²	46	80.3 Å²	80.3	32%	0.322	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	120.4	178.7	73.8	0	0	0	0	111.7	A852 K861	S850-A852 PolarHBondContact O-N 3.23Å; S850-K861 PolarHBondContact N-O 2.8Å; S850-K861 PolarHBondContact OG-O 3.48Å
851	K	61	Low	72.4	Confident	103 Å²	103	86.7 Å²	86.7	45%	0.448	43%	0.425	S	S	.	.			trans	-68.6	94.2	172.1	-62.7	-173.5	-178	-173.6	0	110.4	M849 K853 E928	M849-K851 PolarHBondContact O-N 2.9Å; K851-K853 PolarHBondContact O-N 3.06Å; K851-E928 IonicContact NZ-OE1 2.67Å; K851-E928 PolarHBondContact NZ-OE1 3.47Å; K851-E928 IonicContact NZ-OE2 2.66Å; K851-E928 PolarHBondContact NZ-OE2 2.93Å
852	A	48.8	Very low	72.1	Confident	47 Å²	47	87.9 Å²	87.9	39%	0.388	43%	0.43	S	S	.	.			trans	-68.6	119.9	-177	0	0	0	0	0	111.9	S850 T854 M858	S850-A852 PolarHBondContact O-N 3.23Å; A852-T854 PolarHBondContact O-N 2.86Å; A852-M858 HydrophobicContact CB-SD 4.29Å
853	K	49.5	Very low	71.9	Confident	205 Å²	205	89.9 Å²	89.9	89%	0.891	44%	0.444	S	S	*	.			trans	-80.4	38.2	-176.5	-65.3	-169	174.6	-173.5	0	114.4	K851	K851-K853 PolarHBondContact O-N 3.06Å
854	T	48.8	Very low	71.9	Confident	100 Å²	100	90.8 Å²	90.8	61%	0.613	46%	0.456	S	S	*	.			trans	-128.6	115.2	-176.4	-46.9	0	0	0	0	110.5	A852 V856	A852-T854 PolarHBondContact O-N 2.86Å; T854-V856 PolarHBondContact O-N 3.46Å
855	F	48.1	Very low	71.9	Confident	216 Å²	216	90.6 Å²	90.6	95%	0.947	45%	0.452	S	S	*	.	S	Bend	trans	-71.8	18.2	-170	-74.8	-84.5	0	0	0	116.3
856	V	49.7	Very low	72	Confident	110 Å²	110	87.7 Å²	87.7	67%	0.667	44%	0.438	S	S	*	.	S	Bend	trans	-137.6	122.4	177.8	-169.8	0	0	0	0	109.2	T854	T854-V856 PolarHBondContact O-N 3.46Å
857	N	49.7	Very low	72.1	Confident	151 Å²	151	87.7 Å²	87.7	81%	0.807	44%	0.437	S	S	*	.			trans	60.3	72	-178.7	-62.9	-12.7	0	0	0	115.3	R859	N857-R859 PolarHBondContact O-N 2.83Å
858	M	54.6	Low	72.2	Confident	110 Å²	110	83.5 Å²	83.5	54%	0.542	42%	0.418	S	S	.	.			trans	-61.5	95.5	165	-83.1	-62	-58.7	0	0	111.6	A852	A852-M858 HydrophobicContact CB-SD 4.29Å
859	R	58.3	Low	72.4	Confident	222 Å²	222	82 Å²	82	84%	0.838	41%	0.411	S	S	*	.			trans	-101.5	127.5	154.4	-75.4	-172.8	177	177	-0.7	108.5	N857 K861	N857-R859 PolarHBondContact O-N 2.83Å; R859-K861 PolarHBondContact O-N 3.47Å
860	A	66.9	Low	72.8	Confident	25 Å²	25	81.2 Å²	81.2	21%	0.207	41%	0.407	C	S	.	.			trans	-55.4	119.7	167.6	0	0	0	0	0	109.5	M849 F862 Y910	M849-A860 HydrophobicContact CE-CB 3.65Å; M849-A860 HydrophobicContact CG-CB 4Å; M849-A860 HydrophobicContact SD-CB 3.59Å; M849-A860 VanDerWaalsContact SD-CB 3.59Å; A860-F862 HydrophobicContact CB-CD2 4.3Å; A860-F862 HydrophobicContact CB-CE2 3.58Å; A860-F862 HydrophobicContact CB-CZ 3.92Å; A860-Y910 HydrophobicContact CB-CE1 3.76Å
861	K	80.2	Confident	73.4	Confident	143 Å²	143	81.1 Å²	81.1	62%	0.622	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.3	167.2	-177.8	-174.7	176.7	-173.2	0	108	S850 R859	S850-K861 PolarHBondContact N-O 2.8Å; S850-K861 PolarHBondContact OG-O 3.48Å; R859-K861 PolarHBondContact O-N 3.47Å
862	F	84.5	Confident	74.8	Confident	69 Å²	69	77.8 Å²	77.8	30%	0.303	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	144.7	171.9	-65.1	-82	0	0	0	110.5	Q847 E848 M849 A860 Y910 K932	Q847-F862 HydrophobicContact CB-CB 4.16Å; Q847-F862 HydrophobicContact CB-CD1 3.92Å; Q847-F862 HydrophobicContact CB-CG 4.41Å; E848-F862 CarbonylContact O-C 3.57Å; E848-F862 WeakPolarHBondContact O-CA 3.42Å; M849-F862 HydrophobicContact CB-CD1 4.02Å; M849-F862 HydrophobicContact CB-CE1 3.75Å; M849-F862 HydrophobicContact CB-CZ 4.44Å; M849-F862 HydrophobicContact CG-CE1 4.21Å; M849-F862 HydrophobicContact CG-CZ 4.42Å; M849-F862 HydrophobicContact SD-CE1 4.2Å; M849-F862 HydrophobicContact SD-CZ 4.03Å; A860-F862 HydrophobicContact CB-CD2 4.3Å; A860-F862 HydrophobicContact CB-CE2 3.58Å; A860-F862 HydrophobicContact CB-CZ 3.92Å; F862-Y910 HydrophobicContact CZ-CD1 4.18Å; F862-Y910 HydrophobicContact CZ-CE1 4.26Å; F862-K932 HydrophobicContact CD1-CB 4.5Å; F862-K932 HydrophobicContact CE1-CB 4.11Å; F862-K932 HydrophobicContact CE1-CD 4.28Å
863	S	89.1	Confident	76.8	Confident	43 Å²	43	77.2 Å²	77.2	30%	0.301	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.9	170.2	42.2	0	0	0	0	109.9	E848 V865	E848-S863 PolarHBondContact N-O 3.11Å; E848-S863 PolarHBondContact O-N 2.71Å; E848-S863 PolarHBondContact O-OG 3.43Å; S863-V865 PolarHBondContact O-N 3.42Å
864	P	92.5	Very high	78.9	Confident	74 Å²	74	67.4 Å²	67.4	48%	0.481	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	134.6	179.9	28.1	-34.5	0	0	0	110.7	E845 L846	E845-P864 VanDerWaalsContact OE1-CB 3.26Å; E845-P864 WeakPolarHBondContact OE1-CB 3.48Å; L846-P864 WeakPolarHBondContact O-CA 3.32Å
865	V	94.4	Very high	81.1	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.8	172.9	-65.5	0	0	0	0	108.1	L846 E848 S863 L867 I876 T877 L931	L846-V865 HydrophobicContact CB-CG2 4.15Å; L846-V865 PolarHBondContact N-O 3.31Å; L846-V865 WeakPolarHBondContact O-CG2 3.21Å; L846-V865 PolarHBondContact O-N 2.74Å; E848-V865 HydrophobicContact CB-CG1 3.89Å; E848-V865 HydrophobicContact CB-CG2 4.12Å; S863-V865 PolarHBondContact O-N 3.42Å; V865-L867 HydrophobicContact CB-CD1 4.45Å; V865-L867 HydrophobicContact CG2-CD1 3.93Å; V865-I876 HydrophobicContact CB-CG2 4.36Å; V865-T877 WeakPolarHBondContact CA-O 3.31Å; V865-L931 HydrophobicContact CG2-CD2 4Å
866	Y	94.9	Very high	83.3	Confident	36 Å²	36	52.5 Å²	52.5	14%	0.141	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.9	178.9	-166.7	-78.6	0	0	0	109.1	K843 G844 E845 F868 T877 Y885	K843-Y866 HydrophobicContact CB-CE1 4.01Å; G844-Y866 WeakPolarHBondContact O-CA 3.38Å; E845-Y866 HydrophobicContact CB-CD2 3.89Å; E845-Y866 HydrophobicContact CB-CE2 4.39Å; Y866-F868 AromaticContact CD1-CD2 3.98Å; Y866-F868 HydrophobicContact CD1-CD2 3.98Å; Y866-F868 HydrophobicContact CD1-CE1 4.33Å; Y866-F868 AromaticContact CD1-CE2 3.49Å; Y866-F868 HydrophobicContact CD1-CE2 3.49Å; Y866-F868 VanDerWaalsContact CD1-CE2 3.49Å; Y866-F868 AromaticContact CD1-CZ 3.7Å; Y866-F868 HydrophobicContact CD1-CZ 3.7Å; Y866-F868 HydrophobicContact CE1-CD1 4.21Å; Y866-F868 HydrophobicContact CE1-CD2 4.24Å; Y866-F868 AromaticContact CE1-CE1 3.73Å; Y866-F868 HydrophobicContact CE1-CE1 3.73Å; Y866-F868 AromaticContact CE1-CE2 3.76Å; Y866-F868 HydrophobicContact CE1-CE2 3.76Å; Y866-F868 HydrophobicContact CE1-CG 4.45Å; Y866-F868 AromaticContact CE1-CZ 3.48Å; Y866-F868 HydrophobicContact CE1-CZ 3.48Å; Y866-F868 VanDerWaalsContact CE1-CZ 3.48Å; Y866-T877 PolarHBondContact N-O 3.04Å; Y866-T877 WeakPolarHBondContact O-CA 3.33Å; Y866-T877 WeakPolarHBondContact O-CB 3.43Å; Y866-T877 PolarHBondContact O-N 2.77Å; Y866-T877 PolarHBondContact O-OG1 2.95Å; Y866-Y885 AromaticContact CD1-CD1 3.88Å; Y866-Y885 HydrophobicContact CD1-CD1 3.88Å; Y866-Y885 AromaticContact CD1-CE1 3.69Å; Y866-Y885 HydrophobicContact CD1-CE1 3.69Å; Y866-Y885 AromaticContact CD2-CE1 3.8Å; Y866-Y885 HydrophobicContact CD2-CE1 3.8Å; Y866-Y885 HydrophobicContact CE1-CE1 4.1Å; Y866-Y885 HydrophobicContact CE2-CE1 4.21Å; Y866-Y885 AromaticContact CG-CD1 3.88Å; Y866-Y885 HydrophobicContact CG-CD1 3.88Å; Y866-Y885 AromaticContact CG-CE1 3.52Å; Y866-Y885 HydrophobicContact CG-CE1 3.52Å
867	L	95.6	Very high	85.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	140.7	-176.2	-83	63.9	0	0	0	110.1	K843 G844 L846 V865 L874 L875 I876 L931 W942	K843-L867 VanDerWaalsContact CA-O 3.29Å; K843-L867 WeakPolarHBondContact CA-O 3.4Å; G844-L867 PolarHBondContact N-O 3.21Å; G844-L867 PolarHBondContact O-N 2.71Å; L846-L867 HydrophobicContact CD1-CD1 4.05Å; L846-L867 HydrophobicContact CD1-CD2 3.81Å; L846-L867 HydrophobicContact CD1-CG 4.47Å; V865-L867 HydrophobicContact CB-CD1 4.45Å; V865-L867 HydrophobicContact CG2-CD1 3.93Å; L867-L874 HydrophobicContact CB-CD1 4.29Å; L867-L874 HydrophobicContact CD2-CD1 4.06Å; L867-L874 HydrophobicContact CG-CD1 4.18Å; L867-L875 WeakPolarHBondContact CA-O 3.41Å; L867-I876 HydrophobicContact CG-CG1 4.49Å; L867-L931 HydrophobicContact CD2-CD1 4.12Å; L867-W942 HydrophobicContact CB-CH2 3.48Å; L867-W942 VanDerWaalsContact CB-CH2 3.48Å; L867-W942 HydrophobicContact CB-CZ2 4.13Å; L867-W942 HydrophobicContact CB-CZ3 3.99Å; L867-W942 HydrophobicContact CD2-CE3 4.37Å; L867-W942 HydrophobicContact CD2-CH2 4.23Å; L867-W942 HydrophobicContact CD2-CZ3 4.01Å
868	F	95.4	Very high	87.4	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	112.6	163	-61.6	-95.2	0	0	0	107.6	I819 L823 L840 K843 Y866 F870 L875 T877 Y885	I819-F868 HydrophobicContact CD1-CD1 4.14Å; I819-F868 HydrophobicContact CD1-CE1 4.32Å; I819-F868 HydrophobicContact CG1-CD1 4.41Å; I819-F868 HydrophobicContact CG1-CE1 4.16Å; I819-F868 HydrophobicContact CG2-CD1 3.94Å; I819-F868 HydrophobicContact CG2-CE1 3.96Å; L823-F868 HydrophobicContact CD2-CD2 4.12Å; L823-F868 HydrophobicContact CD2-CE2 3.89Å; L840-F868 HydrophobicContact CD1-CB 4.24Å; L840-F868 HydrophobicContact CD1-CD1 4.33Å; K843-F868 HydrophobicContact CB-CD1 4.05Å; K843-F868 HydrophobicContact CB-CE1 4.45Å; Y866-F868 AromaticContact CD1-CD2 3.98Å; Y866-F868 HydrophobicContact CD1-CD2 3.98Å; Y866-F868 HydrophobicContact CD1-CE1 4.33Å; Y866-F868 AromaticContact CD1-CE2 3.49Å; Y866-F868 HydrophobicContact CD1-CE2 3.49Å; Y866-F868 VanDerWaalsContact CD1-CE2 3.49Å; Y866-F868 AromaticContact CD1-CZ 3.7Å; Y866-F868 HydrophobicContact CD1-CZ 3.7Å; Y866-F868 HydrophobicContact CE1-CD1 4.21Å; Y866-F868 HydrophobicContact CE1-CD2 4.24Å; Y866-F868 AromaticContact CE1-CE1 3.73Å; Y866-F868 HydrophobicContact CE1-CE1 3.73Å; Y866-F868 AromaticContact CE1-CE2 3.76Å; Y866-F868 HydrophobicContact CE1-CE2 3.76Å; Y866-F868 HydrophobicContact CE1-CG 4.45Å; Y866-F868 AromaticContact CE1-CZ 3.48Å; Y866-F868 HydrophobicContact CE1-CZ 3.48Å; Y866-F868 VanDerWaalsContact CE1-CZ 3.48Å; F868-F870 HydrophobicContact CB-CE2 3.95Å; F868-F870 HydrophobicContact CB-CZ 4.11Å; F868-L875 HydrophobicContact CB-CB 4.25Å; F868-L875 HydrophobicContact CB-CD1 4.35Å; F868-L875 PolarHBondContact N-O 2.9Å; F868-L875 VanDerWaalsContact N-O 3.1Å; F868-L875 PolarHBondContact O-N 3.42Å; F868-T877 HydrophobicContact CD2-CG2 3.84Å; F868-T877 HydrophobicContact CE2-CG2 4.03Å; F868-Y885 HydrophobicContact CE2-CD1 4Å; F868-Y885 HydrophobicContact CE2-CD2 4.42Å; F868-Y885 AromaticContact CE2-CG 3.89Å; F868-Y885 HydrophobicContact CE2-CG 3.89Å; F868-Y885 HydrophobicContact CZ-CD1 4.15Å; F868-Y885 HydrophobicContact CZ-CD2 4.03Å; F868-Y885 HydrophobicContact CZ-CE1 4.43Å; F868-Y885 HydrophobicContact CZ-CE2 4.32Å; F868-Y885 AromaticContact CZ-CG 3.95Å; F868-Y885 HydrophobicContact CZ-CG 3.95Å
869	L	95.3	Very high	89.1	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.9	177.9	178.8	56.8	0	0	0	109	L840 E841 K842 L874 W942 A945 F946	L840-L869 WeakPolarHBondContact CD1-O 3.48Å; E841-L869 HydrophobicContact CB-CG 4.41Å; E841-L869 PolarHBondContact N-O 2.93Å; K842-L869 HydrophobicContact CB-CB 4.43Å; K842-L869 PolarHBondContact N-O 3.29Å; K842-L869 VanDerWaalsContact N-O 3.12Å; K842-L869 PolarHBondContact O-N 2.92Å; L869-L874 HydrophobicContact CB-CD1 4.14Å; L869-L874 HydrophobicContact CD1-CB 4.17Å; L869-L874 HydrophobicContact CD1-CD1 4.17Å; L869-W942 HydrophobicContact CB-CZ3 4.04Å; L869-W942 HydrophobicContact CD2-CZ3 4.22Å; L869-A945 HydrophobicContact CD2-CB 3.78Å; L869-F946 HydrophobicContact CD1-CD1 4.38Å; L869-F946 HydrophobicContact CD1-CE1 3.58Å; L869-F946 HydrophobicContact CD1-CZ 4.23Å; L869-F946 HydrophobicContact CD2-CD1 4.2Å; L869-F946 HydrophobicContact CD2-CE1 3.64Å; L869-F946 HydrophobicContact CD2-CE2 4.4Å; L869-F946 HydrophobicContact CD2-CZ 3.76Å; L869-F946 HydrophobicContact CG-CE1 4.24Å
870	F	94.1	Very high	90.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	160.1	172.5	-52.3	-83.8	0	0	0	109.9	L816 I819 I833 R838 F839 L840 F868 D872 H873 L875	L816-F870 HydrophobicContact CD2-CD1 3.86Å; L816-F870 HydrophobicContact CD2-CE1 3.51Å; I819-F870 HydrophobicContact CD1-CE1 4.44Å; I819-F870 HydrophobicContact CG2-CZ 4.07Å; I833-F870 HydrophobicContact CD1-CE2 4.47Å; I833-F870 HydrophobicContact CG2-CZ 4.25Å; R838-F870 HydrophobicContact CG-CB 3.8Å; R838-F870 HydrophobicContact CG-CD1 3.85Å; R838-F870 HydrophobicContact CG-CG 4.01Å; F839-F870 VanDerWaalsContact O-CA 3.3Å; F839-F870 WeakPolarHBondContact O-CA 3.28Å; F839-F870 WeakPolarHBondContact O-CB 3.41Å; L840-F870 HydrophobicContact CB-CD1 4.21Å; L840-F870 HydrophobicContact CB-CE1 4.35Å; L840-F870 HydrophobicContact CD1-CD1 3.88Å; L840-F870 HydrophobicContact CD1-CE1 3.73Å; L840-F870 HydrophobicContact CD1-CZ 4.26Å; F868-F870 HydrophobicContact CB-CE2 3.95Å; F868-F870 HydrophobicContact CB-CZ 4.11Å; F870-D872 PolarHBondContact O-N 3.2Å; F870-H873 WeakPolarHBondContact CA-O 3.45Å; F870-H873 WeakPolarHBondContact CB-O 3.37Å; F870-H873 PolarHBondContact N-O 3.45Å; F870-H873 PolarHBondContact O-N 2.98Å; F870-L875 HydrophobicContact CE2-CD1 3.84Å; F870-L875 HydrophobicContact CE2-CG 4Å
871	N	90.4	Very high	91.3	Very high	44 Å²	44	37.6 Å²	37.6	24%	0.235	20%	0.196	C	C	.	.	S	Bend	trans	-57.6	-9.1	178.2	70.1	-49.4	0	0	0	116.2	T837 R838 F839 E841 R893	T837-N871 PolarHBondContact O-ND2 3.36Å; R838-N871 VanDerWaalsContact CA-OD1 3.26Å; R838-N871 WeakPolarHBondContact CA-OD1 3.33Å; F839-N871 HydrophobicContact CD1-CB 4.09Å; F839-N871 HydrophobicContact CD2-CB 4.28Å; F839-N871 HydrophobicContact CE1-CB 3.65Å; F839-N871 VanDerWaalsContact CE1-ND2 3.31Å; F839-N871 WeakPolarHBondContact CE1-ND2 3.35Å; F839-N871 HydrophobicContact CE2-CB 3.86Å; F839-N871 HydrophobicContact CG-CB 4.39Å; F839-N871 HydrophobicContact CZ-CB 3.52Å; F839-N871 PolarHBondContact N-OD1 2.89Å; F839-N871 PolarHBondContact O-N 3.16Å; F839-N871 PolarHBondContact O-OD1 2.8Å; E841-N871 HydrophobicContact CG-CB 4.14Å; E841-N871 WeakPolarHBondContact OE1-CA 3Å; E841-N871 WeakPolarHBondContact OE2-CA 3.42Å; E841-N871 PolarHBondContact OE2-N 2.92Å; N871-R893 VanDerWaalsContact O-CD 3.31Å; N871-R893 WeakPolarHBondContact O-CD 3.37Å
872	D	90	Very high	91.2	Very high	32 Å²	32	33 Å²	33	17%	0.171	18%	0.183	C	C	.	.	S	Bend	trans	-131.4	-14.3	174	72.9	-17.9	0	0	0	114.4	R838 F870 H892 R893	R838-D872 IonicContact CZ-OD1 2.73Å; R838-D872 IonicContact CZ-OD2 2.68Å; R838-D872 IonicContact NE-OD1 3.36Å; R838-D872 PolarHBondContact NE-OD1 2.86Å; R838-D872 IonicContact NE-OD2 3.02Å; R838-D872 PolarHBondContact NE-OD2 3.5Å; R838-D872 IonicContact NH2-OD1 3.07Å; R838-D872 PolarHBondContact NH2-OD1 2.66Å; R838-D872 IonicContact NH2-OD2 3.74Å; R838-D872 PolarHBondContact NH2-OD2 2.91Å; F870-D872 PolarHBondContact O-N 3.2Å; D872-H892 CarbonylContact O-C 3.52Å; D872-H892 WeakPolarHBondContact O-CA 3.41Å; D872-H892 PolarHBondContact O-CD2 2.93Å; D872-H892 PolarHBondContact O-NE2 2.8Å; D872-R893 PolarHBondContact O-N 2.69Å
873	H	91.8	Very high	91.2	Very high	35 Å²	35	33.8 Å²	33.8	16%	0.162	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.6	-175	-73.8	80.3	0	0	0	113	R838 F870 T891 H892	R838-H873 PolarHBondContact NH2-ND1 2.85Å; R838-H873 VanDerWaalsContact NH2-ND1 3.16Å; F870-H873 WeakPolarHBondContact CA-O 3.45Å; F870-H873 WeakPolarHBondContact CB-O 3.37Å; F870-H873 PolarHBondContact N-O 3.45Å; F870-H873 PolarHBondContact O-N 2.98Å; H873-T891 WeakPolarHBondContact CA-O 3.36Å; H873-H892 AromaticContact CE1-CD2 3.94Å
874	L	93.9	Very high	91.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.3	165.1	176.1	63.3	0	0	0	110.1	L867 L869 H890 T891 V896 L916 F946	L867-L874 HydrophobicContact CB-CD1 4.29Å; L867-L874 HydrophobicContact CD2-CD1 4.06Å; L867-L874 HydrophobicContact CG-CD1 4.18Å; L869-L874 HydrophobicContact CB-CD1 4.14Å; L869-L874 HydrophobicContact CD1-CB 4.17Å; L869-L874 HydrophobicContact CD1-CD1 4.17Å; L874-H890 WeakPolarHBondContact O-CA 3.29Å; L874-H890 WeakPolarHBondContact O-CB 3.5Å; L874-T891 HydrophobicContact CB-CG2 4.32Å; L874-T891 PolarHBondContact N-O 3.39Å; L874-T891 PolarHBondContact O-N 2.94Å; L874-T891 VanDerWaalsContact O-N 3.1Å; L874-V896 HydrophobicContact CB-CG2 4.06Å; L874-V896 HydrophobicContact CD2-CG1 4.22Å; L874-V896 HydrophobicContact CD2-CG2 3.96Å; L874-L916 HydrophobicContact CD2-CD1 4.27Å; L874-L916 HydrophobicContact CD2-CD2 3.83Å; L874-F946 HydrophobicContact CD1-CZ 4.32Å; L874-F946 HydrophobicContact CD2-CE1 4.15Å; L874-F946 HydrophobicContact CD2-CZ 4.01Å
875	L	94.3	Very high	91.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.2	164.7	-56.5	-177.7	0	0	0	110.5	L823 I831 I833 L867 F868 F870 T877 V887 H890	L823-L875 HydrophobicContact CD1-CD1 3.55Å; L823-L875 HydrophobicContact CD2-CD1 3.99Å; L823-L875 HydrophobicContact CG-CD1 4.47Å; I831-L875 HydrophobicContact CD1-CD2 3.94Å; I833-L875 HydrophobicContact CD1-CD1 3.86Å; L867-L875 WeakPolarHBondContact CA-O 3.41Å; F868-L875 HydrophobicContact CB-CB 4.25Å; F868-L875 HydrophobicContact CB-CD1 4.35Å; F868-L875 PolarHBondContact N-O 2.9Å; F868-L875 VanDerWaalsContact N-O 3.1Å; F868-L875 PolarHBondContact O-N 3.42Å; F870-L875 HydrophobicContact CE2-CD1 3.84Å; F870-L875 HydrophobicContact CE2-CG 4Å; L875-T877 HydrophobicContact CB-CG2 4.06Å; L875-V887 HydrophobicContact CD1-CG2 4.42Å; L875-V887 HydrophobicContact CD2-CG1 4.31Å; L875-H890 HydrophobicContact CD2-CB 3.54Å
876	I	93.6	Very high	91.3	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.5	165.2	-56.7	179.1	0	0	0	107.5	V865 L867 M888 D889 L916 M918 R929	V865-I876 HydrophobicContact CB-CG2 4.36Å; L867-I876 HydrophobicContact CG-CG1 4.49Å; I876-M888 PolarHBondContact O-N 2.86Å; I876-D889 HydrophobicContact CB-CB 4.3Å; I876-D889 PolarHBondContact N-O 2.93Å; I876-D889 PolarHBondContact O-N 3.22Å; I876-D889 VanDerWaalsContact O-N 3.11Å; I876-L916 HydrophobicContact CD1-CD2 4.06Å; I876-M918 HydrophobicContact CD1-CE 3.82Å; I876-M918 HydrophobicContact CD1-SD 3.74Å; I876-R929 HydrophobicContact CD1-CG 4.26Å
877	T	93.8	Very high	91.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	165.6	-173.4	79	0	0	0	0	112.3	L823 V865 Y866 F868 L875 V886 V887	L823-T877 HydrophobicContact CD2-CG2 3.91Å; V865-T877 WeakPolarHBondContact CA-O 3.31Å; Y866-T877 PolarHBondContact N-O 3.04Å; Y866-T877 WeakPolarHBondContact O-CA 3.33Å; Y866-T877 WeakPolarHBondContact O-CB 3.43Å; Y866-T877 PolarHBondContact O-N 2.77Å; Y866-T877 PolarHBondContact O-OG1 2.95Å; F868-T877 HydrophobicContact CD2-CG2 3.84Å; F868-T877 HydrophobicContact CE2-CG2 4.03Å; L875-T877 HydrophobicContact CB-CG2 4.06Å; T877-V886 CarbonylContact C-O 3.5Å; T877-V886 WeakPolarHBondContact CA-O 3.37Å; T877-V886 WeakPolarHBondContact CB-O 3.46Å; T877-V887 HydrophobicContact CG2-CG2 4.14Å
878	I	92.3	Very high	91	Very high	65 Å²	65	36.2 Å²	36.2	33%	0.333	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.7	168.9	-65	173	0	0	0	108.9	V886 M888	I878-V886 PolarHBondContact N-O 3.45Å; I878-V886 PolarHBondContact O-N 3.07Å; I878-M888 HydrophobicContact CB-CG 4.36Å; I878-M888 HydrophobicContact CD1-CG 3.62Å; I878-M888 HydrophobicContact CD1-SD 4.04Å; I878-M888 HydrophobicContact CG1-CG 3.7Å
879	K	90.8	Very high	90.8	Very high	91 Å²	91	36.3 Å²	36.3	40%	0.396	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.5	176.9	-172.7	164.4	-179.6	147.7	0	111	G881 S882 R884 Y885	K879-G881 WeakPolarHBondContact CE-O 3.29Å; K879-G881 VanDerWaalsContact CG-O 3.22Å; K879-G881 WeakPolarHBondContact CG-O 3.37Å; K879-S882 WeakPolarHBondContact CE-O 3.42Å; K879-S882 PolarHBondContact NZ-O 3.44Å; K879-R884 CarbonylContact C-O 3.6Å; K879-Y885 HydrophobicContact CB-CD1 4.04Å; K879-Y885 HydrophobicContact CB-CE1 3.91Å; K879-Y885 HydrophobicContact CD-CE1 3.79Å; K879-Y885 HydrophobicContact CG-CD1 4.34Å; K879-Y885 HydrophobicContact CG-CE1 3.87Å; K879-Y885 PolarHBondContact NZ-OH 3.49Å
880	K	87.2	Confident	90.6	Very high	100 Å²	100	37.2 Å²	37.2	44%	0.435	19%	0.191	S	C	.	.			trans	-132.7	48.2	-176.2	-68	-162	-169.8	170.2	0	112.8	R884 V886	K880-R884 PolarHBondContact N-O 3.19Å; K880-R884 PolarHBondContact O-NH2 2.78Å; K880-V886 HydrophobicContact CD-CB 4.37Å; K880-V886 HydrophobicContact CD-CG2 3.53Å; K880-V886 VanDerWaalsContact CE-CG2 3.44Å; K880-V886 HydrophobicContact CG-CG2 4.07Å
881	G	83.5	Confident	90.5	Very high	48 Å²	48	37.5 Å²	37.5	50%	0.495	19%	0.193	S	C	.	.	S	Bend	trans	140.6	-161.8	-175.6	0	0	0	0	0	109.7	K879	K879-G881 WeakPolarHBondContact CE-O 3.29Å; K879-G881 VanDerWaalsContact CG-O 3.22Å; K879-G881 WeakPolarHBondContact CG-O 3.37Å
882	S	78.3	Confident	90.5	Very high	48 Å²	48	39.3 Å²	39.3	34%	0.336	20%	0.2	S	C	.	.	S	Bend	trans	-62.9	-56.8	166.4	47.8	0	0	0	0	111.3	D184 K879	D184-S882 WeakPolarHBondContact OD2-CB 3.45Å; K879-S882 WeakPolarHBondContact CE-O 3.42Å; K879-S882 PolarHBondContact NZ-O 3.44Å
883	D	84.7	Confident	90.5	Very high	85 Å²	85	40 Å²	40	46%	0.455	20%	0.2	S	C	.	.	S	Bend	trans	-123.4	25.3	-160.1	-45	-60.5	0	0	0	114	M822	M822-D883 WeakPolarHBondContact CA-O 3.31Å; M822-D883 VanDerWaalsContact CB-O 3.27Å; M822-D883 WeakPolarHBondContact CB-O 3.46Å; M822-D883 HydrophobicContact CG-CB 4.39Å; M822-D883 VanDerWaalsContact CG-O 3.31Å; M822-D883 WeakPolarHBondContact CG-O 3.48Å; M822-D883 HydrophobicContact SD-CB 4.34Å
884	R	91.5	Very high	90.3	Very high	118 Å²	118	42.1 Å²	42.1	45%	0.445	22%	0.219	S	C	.	.			trans	-130.5	124.9	-178	-60.2	-169.8	-54	131.5	5	111.6	M822 E824 K879 K880	M822-R884 WeakPolarHBondContact O-CA 3.3Å; E824-R884 WeakPolarHBondContact OE1-CD 3.45Å; E824-R884 IonicContact OE1-CZ 3.04Å; E824-R884 IonicContact OE1-NE 2.7Å; E824-R884 IonicContact OE1-NH1 2.9Å; E824-R884 PolarHBondContact OE1-NH1 2.84Å; E824-R884 IonicContact OE2-NH1 2.74Å; K879-R884 CarbonylContact C-O 3.6Å; K880-R884 PolarHBondContact N-O 3.19Å; K880-R884 PolarHBondContact O-NH2 2.78Å
885	Y	93.3	Very high	90.1	Very high	16 Å²	16	44.8 Å²	44.8	6%	0.063	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	114.2	-174.6	-62.9	-93.6	0	0	0	109.1	M822 L823 E824 Y866 F868 K879	M822-Y885 HydrophobicContact CB-CD2 4.04Å; M822-Y885 HydrophobicContact CB-CE2 4.47Å; M822-Y885 PolarHBondContact O-N 2.93Å; M822-Y885 HydrophobicContact SD-CE2 4.27Å; L823-Y885 WeakPolarHBondContact CA-O 3.5Å; E824-Y885 PolarHBondContact N-O 3.14Å; Y866-Y885 AromaticContact CD1-CD1 3.88Å; Y866-Y885 HydrophobicContact CD1-CD1 3.88Å; Y866-Y885 AromaticContact CD1-CE1 3.69Å; Y866-Y885 HydrophobicContact CD1-CE1 3.69Å; Y866-Y885 AromaticContact CD2-CE1 3.8Å; Y866-Y885 HydrophobicContact CD2-CE1 3.8Å; Y866-Y885 HydrophobicContact CE1-CE1 4.1Å; Y866-Y885 HydrophobicContact CE2-CE1 4.21Å; Y866-Y885 AromaticContact CG-CD1 3.88Å; Y866-Y885 HydrophobicContact CG-CD1 3.88Å; Y866-Y885 AromaticContact CG-CE1 3.52Å; Y866-Y885 HydrophobicContact CG-CE1 3.52Å; F868-Y885 HydrophobicContact CE2-CD1 4Å; F868-Y885 HydrophobicContact CE2-CD2 4.42Å; F868-Y885 AromaticContact CE2-CG 3.89Å; F868-Y885 HydrophobicContact CE2-CG 3.89Å; F868-Y885 HydrophobicContact CZ-CD1 4.15Å; F868-Y885 HydrophobicContact CZ-CD2 4.03Å; F868-Y885 HydrophobicContact CZ-CE1 4.43Å; F868-Y885 HydrophobicContact CZ-CE2 4.32Å; F868-Y885 AromaticContact CZ-CG 3.95Å; F868-Y885 HydrophobicContact CZ-CG 3.95Å; K879-Y885 HydrophobicContact CB-CD1 4.04Å; K879-Y885 HydrophobicContact CB-CE1 3.91Å; K879-Y885 HydrophobicContact CD-CE1 3.79Å; K879-Y885 HydrophobicContact CG-CD1 4.34Å; K879-Y885 HydrophobicContact CG-CE1 3.87Å; K879-Y885 PolarHBondContact NZ-OH 3.49Å
886	V	92.9	Very high	89.9	Confident	1 Å²	1	45 Å²	45	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.9	179	176.2	0	0	0	0	109.6	E824 D826 T877 I878 K880 M888	E824-V886 HydrophobicContact CB-CG2 3.86Å; E824-V886 WeakPolarHBondContact O-CA 3.26Å; E824-V886 WeakPolarHBondContact OE2-CG2 3.11Å; D826-V886 HydrophobicContact CB-CG1 3.92Å; T877-V886 CarbonylContact C-O 3.5Å; T877-V886 WeakPolarHBondContact CA-O 3.37Å; T877-V886 WeakPolarHBondContact CB-O 3.46Å; I878-V886 PolarHBondContact N-O 3.45Å; I878-V886 PolarHBondContact O-N 3.07Å; K880-V886 HydrophobicContact CD-CB 4.37Å; K880-V886 HydrophobicContact CD-CG2 3.53Å; K880-V886 VanDerWaalsContact CE-CG2 3.44Å; K880-V886 HydrophobicContact CG-CG2 4.07Å; V886-M888 PolarHBondContact O-N 3.46Å
887	V	92.8	Very high	89.7	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	117.4	178.8	-176.9	0	0	0	0	109.7	L823 E824 F825 L875 T877	L823-V887 HydrophobicContact CD2-CG2 3.81Å; E824-V887 PolarHBondContact O-N 3.21Å; F825-V887 HydrophobicContact CD1-CB 3.9Å; F825-V887 HydrophobicContact CD1-CG1 4.16Å; F825-V887 HydrophobicContact CD1-CG2 3.95Å; F825-V887 HydrophobicContact CE1-CB 4.04Å; F825-V887 HydrophobicContact CE1-CG1 3.98Å; F825-V887 HydrophobicContact CE1-CG2 3.77Å; F825-V887 HydrophobicContact CE2-CG2 4.37Å; F825-V887 HydrophobicContact CG-CG2 4.36Å; F825-V887 HydrophobicContact CZ-CG2 4Å; L875-V887 HydrophobicContact CD1-CG2 4.42Å; L875-V887 HydrophobicContact CD2-CG1 4.31Å; T877-V887 HydrophobicContact CG2-CG2 4.14Å
888	M	91.1	Very high	89.5	Confident	72 Å²	72	48.1 Å²	48.1	36%	0.355	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-33.5	179	-71.3	-55.8	-50.2	0	0	112.3	F828 I876 I878 V886	F828-M888 VanDerWaalsContact CE2-O 3.29Å; F828-M888 WeakPolarHBondContact CE2-O 3.42Å; I876-M888 PolarHBondContact O-N 2.86Å; I878-M888 HydrophobicContact CB-CG 4.36Å; I878-M888 HydrophobicContact CD1-CG 3.62Å; I878-M888 HydrophobicContact CD1-SD 4.04Å; I878-M888 HydrophobicContact CG1-CG 3.7Å; V886-M888 PolarHBondContact O-N 3.46Å
889	D	90.7	Very high	89.3	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	161.4	174.9	-146.1	-23.7	0	0	0	111.2	I876 M918 N921 H922 M927 R929	I876-D889 HydrophobicContact CB-CB 4.3Å; I876-D889 PolarHBondContact N-O 2.93Å; I876-D889 PolarHBondContact O-N 3.22Å; I876-D889 VanDerWaalsContact O-N 3.11Å; D889-M918 HydrophobicContact CB-CE 4.16Å; D889-M918 VanDerWaalsContact OD2-CE 3.28Å; D889-M918 WeakPolarHBondContact OD2-CE 3.3Å; D889-N921 WeakPolarHBondContact OD1-CB 3.41Å; D889-N921 PolarHBondContact OD1-ND2 3.39Å; D889-N921 VanDerWaalsContact OD1-ND2 3.12Å; D889-N921 PolarHBondContact OD2-ND2 3.34Å; D889-H922 IonicContact OD1-CE1 2.72Å; D889-H922 PolarHBondContact OD1-CE1 3.38Å; D889-H922 VanDerWaalsContact OD1-CE1 3.29Å; D889-H922 IonicContact OD1-CG 3.13Å; D889-H922 IonicContact OD1-ND1 2.66Å; D889-H922 PolarHBondContact OD1-ND1 3.28Å; D889-M927 WeakPolarHBondContact OD2-CE 3.41Å; D889-R929 IonicContact OD2-NH2 3.24Å
890	H	92.1	Very high	89.1	Confident	19 Å²	19	48.8 Å²	48.8	9%	0.088	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	155.7	169.9	64.9	-85.6	0	0	0	112.1	I831 L874 L875 H922	I831-H890 WeakPolarHBondContact CG2-NE2 3.44Å; L874-H890 WeakPolarHBondContact O-CA 3.29Å; L874-H890 WeakPolarHBondContact O-CB 3.5Å; L875-H890 HydrophobicContact CD2-CB 3.54Å; H890-H922 WeakPolarHBondContact CE1-CB 3.38Å; H890-H922 AromaticContact CE1-CG 3.7Å; H890-H922 AromaticContact ND1-CG 3.85Å; H890-H922 WeakPolarHBondContact NE2-CB 3.28Å; H890-H922 PolarHBondContact O-N 3.37Å
891	T	92.1	Very high	88.9	Confident	6 Å²	6	45.3 Å²	45.3	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	165.8	174	-176.5	0	0	0	0	110.6	H873 L874 V896 M918 E920	H873-T891 WeakPolarHBondContact CA-O 3.36Å; L874-T891 HydrophobicContact CB-CG2 4.32Å; L874-T891 PolarHBondContact N-O 3.39Å; L874-T891 PolarHBondContact O-N 2.94Å; L874-T891 VanDerWaalsContact O-N 3.1Å; T891-V896 HydrophobicContact CG2-CG2 3.41Å; T891-V896 VanDerWaalsContact CG2-CG2 3.41Å; T891-M918 HydrophobicContact CG2-CB 4.07Å; T891-M918 HydrophobicContact CG2-CG 3.73Å; T891-M918 HydrophobicContact CG2-SD 3.72Å; T891-E920 WeakPolarHBondContact CB-O 3.36Å; T891-E920 PolarHBondContact OG1-O 2.96Å
892	H	90.6	Very high	88.1	Confident	82 Å²	82	49.5 Å²	49.5	38%	0.38	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	140.9	171.8	-172.2	-103.7	0	0	0	110	D872 H873 S894 L895	D872-H892 CarbonylContact O-C 3.52Å; D872-H892 WeakPolarHBondContact O-CA 3.41Å; D872-H892 PolarHBondContact O-CD2 2.93Å; D872-H892 PolarHBondContact O-NE2 2.8Å; H873-H892 AromaticContact CE1-CD2 3.94Å; H892-S894 PolarHBondContact CE1-OG 3.42Å; H892-S894 PolarHBondContact ND1-OG 3.13Å; H892-S894 PolarHBondContact O-N 3.33Å; H892-S894 VanDerWaalsContact O-N 3.12Å; H892-L895 HydrophobicContact CB-CD1 4.2Å; H892-L895 HydrophobicContact CB-CG 4.42Å; H892-L895 PolarHBondContact O-N 3.35Å
893	R	89.7	Confident	87.1	Confident	47 Å²	47	54.4 Å²	54.4	18%	0.177	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-54.4	-36.4	-174.3	178.7	179.9	168.2	68.6	10.5	113.1	E841 N871 D872 L895 V896 A945	E841-R893 IonicContact OE1-CZ 3.28Å; E841-R893 IonicContact OE1-NE 3.86Å; E841-R893 PolarHBondContact OE1-NE 2.84Å; E841-R893 IonicContact OE1-NH1 3.78Å; E841-R893 IonicContact OE1-NH2 3.67Å; E841-R893 IonicContact OE2-CZ 2.64Å; E841-R893 IonicContact OE2-NE 2.76Å; E841-R893 PolarHBondContact OE2-NE 2.84Å; E841-R893 IonicContact OE2-NH1 2.73Å; E841-R893 PolarHBondContact OE2-NH1 2.8Å; E841-R893 IonicContact OE2-NH2 3.43Å; N871-R893 VanDerWaalsContact O-CD 3.31Å; N871-R893 WeakPolarHBondContact O-CD 3.37Å; D872-R893 PolarHBondContact O-N 2.69Å; R893-L895 PolarHBondContact O-N 2.83Å; R893-V896 PolarHBondContact O-N 3.45Å; R893-A945 PolarHBondContact NH1-O 2.77Å; R893-A945 PolarHBondContact NH2-O 3.36Å
894	S	86.7	Confident	85.4	Confident	80 Å²	80	55.6 Å²	55.6	56%	0.559	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-71.6	-5.5	178.1	74.7	0	0	0	0	115.1	H892	H892-S894 PolarHBondContact CE1-OG 3.42Å; H892-S894 PolarHBondContact ND1-OG 3.13Å; H892-S894 PolarHBondContact O-N 3.33Å; H892-S894 VanDerWaalsContact O-N 3.12Å
895	L	89.5	Confident	83.6	Confident	55 Å²	55	55.5 Å²	55.5	29%	0.288	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-111.3	11.5	179	-56.1	175.6	0	0	0	111.2	H892 R893 M918 L919 E920	H892-L895 HydrophobicContact CB-CD1 4.2Å; H892-L895 HydrophobicContact CB-CG 4.42Å; H892-L895 PolarHBondContact O-N 3.35Å; R893-L895 PolarHBondContact O-N 2.83Å; L895-M918 CarbonylContact O-C 3.59Å; L895-L919 HydrophobicContact CB-CB 4.44Å; L895-L919 WeakPolarHBondContact O-CB 3.38Å; L895-L919 PolarHBondContact O-N 3.34Å; L895-E920 HydrophobicContact CD1-CB 4.23Å
896	V	90.4	Very high	81.8	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.03	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.9	171.1	-174.9	0	0	0	0	109.5	L874 T891 R893 L916 F946	L874-V896 HydrophobicContact CB-CG2 4.06Å; L874-V896 HydrophobicContact CD2-CG1 4.22Å; L874-V896 HydrophobicContact CD2-CG2 3.96Å; T891-V896 HydrophobicContact CG2-CG2 3.41Å; T891-V896 VanDerWaalsContact CG2-CG2 3.41Å; R893-V896 PolarHBondContact O-N 3.45Å; V896-L916 HydrophobicContact CG1-CD1 3.41Å; V896-L916 VanDerWaalsContact CG1-CD1 3.41Å; V896-L916 HydrophobicContact CG1-CG 4.31Å; V896-F946 HydrophobicContact CB-CD1 4.05Å; V896-F946 HydrophobicContact CB-CE1 4.15Å; V896-F946 HydrophobicContact CG1-CD1 3.56Å; V896-F946 HydrophobicContact CG1-CE1 3.53Å; V896-F946 HydrophobicContact CG1-CG 4.16Å; V896-F946 HydrophobicContact CG1-CZ 4.12Å; V896-F946 HydrophobicContact CG2-CE1 4.44Å
897	Q	89.1	Confident	80	Confident	56 Å²	56	62.5 Å²	62.5	26%	0.262	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137	166.9	-58.7	-176.2	-23	0	0	108	M917 L919 T949	Q897-M917 HydrophobicContact CB-CB 4.41Å; Q897-M917 PolarHBondContact N-O 3.46Å; Q897-M917 PolarHBondContact O-N 3.35Å; Q897-L919 HydrophobicContact CG-CD1 4.22Å; Q897-L919 HydrophobicContact CG-CD2 4.39Å; Q897-L919 HydrophobicContact CG-CG 4.25Å; Q897-T949 HydrophobicContact CB-CG2 3.85Å; Q897-T949 VanDerWaalsContact CD-CG2 3.46Å; Q897-T949 HydrophobicContact CG-CG2 3.52Å
898	A	90.3	Very high	78.5	Confident	12 Å²	12	64.3 Å²	64.3	10%	0.099	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.9	175.2	0	0	0	0	0	109.4	F914 N915 L916 L943 F946	A898-F914 HydrophobicContact CB-CD2 4.35Å; A898-N915 WeakPolarHBondContact CA-O 3.25Å; A898-L916 HydrophobicContact CB-CD1 4.2Å; A898-L943 HydrophobicContact CB-CD2 3.94Å; A898-F946 HydrophobicContact CB-CB 3.93Å; A898-F946 HydrophobicContact CB-CD2 3.46Å; A898-F946 VanDerWaalsContact CB-CD2 3.46Å; A898-F946 HydrophobicContact CB-CE2 4.27Å; A898-F946 HydrophobicContact CB-CG 3.95Å
899	Q	88.3	Confident	77.2	Confident	90 Å²	90	65.7 Å²	65.7	42%	0.421	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139.5	-178.7	-68.4	175.1	-12.2	0	0	108.9	F914 N915 T949	Q899-F914 CarbonylContact O-C 3.53Å; Q899-F914 WeakPolarHBondContact O-CA 3.22Å; Q899-F914 WeakPolarHBondContact O-CB 3.37Å; Q899-N915 PolarHBondContact N-O 2.95Å; Q899-N915 PolarHBondContact O-N 3.23Å; Q899-T949 PolarHBondContact NE2-OG1 3.06Å; Q899-T949 VanDerWaalsContact NE2-OG1 3.09Å
900	P	86.8	Confident	76.4	Confident	80 Å²	80	68 Å²	68	52%	0.519	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	149.5	172.4	27.6	-34.7	0	0	0	110.2	L943	P900-L943 HydrophobicContact CB-CD1 4.04Å
901	L	82.3	Confident	75.9	Confident	28 Å²	28	73.7 Å²	73.7	15%	0.147	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-90.5	119.2	171.9	-173.5	76	0	0	0	109.3	F905 C913 L930	L901-F905 HydrophobicContact CD1-CB 4.1Å; L901-F905 HydrophobicContact CD1-CD2 3.92Å; L901-F905 HydrophobicContact CD1-CG 4.1Å; L901-F905 HydrophobicContact CD2-CB 3.9Å; L901-F905 HydrophobicContact CD2-CG 4.47Å; L901-F905 HydrophobicContact CG-CB 4.16Å; L901-C913 HydrophobicContact CB-CB 4.31Å; L901-C913 WeakPolarHBondContact CB-O 3.32Å; L901-C913 HydrophobicContact CD2-CB 4.34Å; L901-C913 PolarHBondContact N-O 3.41Å; L901-L930 HydrophobicContact CB-CD1 4.4Å; L901-L930 HydrophobicContact CD2-CD1 3.81Å; L901-L930 HydrophobicContact CD2-CD2 4.18Å; L901-L930 HydrophobicContact CG-CD1 4.47Å
902	D	66.4	Low	75.8	Confident	135 Å²	135	75 Å²	75	72%	0.722	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-55.6	139.6	172.2	-65.9	-42.4	0	0	0	111.5	C904 F905	D902-C904 PolarHBondContact O-N 2.9Å; D902-F905 PolarHBondContact O-N 3.39Å
903	E	58.1	Low	75.7	Confident	151 Å²	151	71.3 Å²	71.3	71%	0.706	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-6.9	-167.3	-57.6	-175.5	155.4	0	0	114.7	T909	E903-T909 HydrophobicContact CB-CG2 4.42Å; E903-T909 WeakPolarHBondContact O-CA 3.22Å; E903-T909 WeakPolarHBondContact O-CG2 2.96Å
904	C	49.3	Very low	75.8	Confident	111 Å²	111	69 Å²	69	75%	0.75	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	16.7	-173	-74.1	0	0	0	0	115.3	D902 G906	D902-C904 PolarHBondContact O-N 2.9Å; C904-G906 PolarHBondContact O-N 2.84Å
905	F	52.3	Low	76	Confident	116 Å²	116	66.7 Å²	66.7	51%	0.509	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	97.3	-176.9	-156.7	-85.4	0	0	0	113.6	L901 D902	L901-F905 HydrophobicContact CD1-CB 4.1Å; L901-F905 HydrophobicContact CD1-CD2 3.92Å; L901-F905 HydrophobicContact CD1-CG 4.1Å; L901-F905 HydrophobicContact CD2-CB 3.9Å; L901-F905 HydrophobicContact CD2-CG 4.47Å; L901-F905 HydrophobicContact CG-CB 4.16Å; D902-F905 PolarHBondContact O-N 3.39Å
906	G	55.8	Low	76.1	Confident	82 Å²	82	64 Å²	64	85%	0.845	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	19.7	174.5	0	0	0	0	0	115.2	C904	C904-G906 PolarHBondContact O-N 2.84Å
907	G	55.6	Low	76.1	Confident	81 Å²	81	66.7 Å²	66.7	84%	0.835	39%	0.394	S	S	*	.	S	Bend	trans	81.5	15.5	174.8	0	0	0	0	0	115.5
908	A	60.9	Low	76.3	Confident	40 Å²	40	64 Å²	64	33%	0.331	38%	0.382	S	S	.	.	S	Bend	trans	-131.8	134.9	169.5	0	0	0	0	0	109.6	Y910	A908-Y910 HydrophobicContact CB-CD2 4.45Å; A908-Y910 HydrophobicContact CB-CE2 3.77Å; A908-Y910 WeakPolarHBondContact O-CD2 2.97Å
909	T	63.4	Low	76.2	Confident	101 Å²	101	66.4 Å²	66.4	62%	0.62	39%	0.392	S	S	*	.			trans	-75.5	123.3	175.5	45.4	0	0	0	0	110.1	E903	E903-T909 HydrophobicContact CB-CG2 4.42Å; E903-T909 WeakPolarHBondContact O-CA 3.22Å; E903-T909 WeakPolarHBondContact O-CG2 2.96Å
910	Y	74.4	Confident	76.3	Confident	52 Å²	52	67.1 Å²	67.1	20%	0.204	40%	0.395	C	S	.	.			trans	-113.8	80.7	179.9	-71.4	-74.2	0	0	0	110.1	M849 A860 F862 A908 C913	M849-Y910 HydrophobicContact CE-CE1 4.16Å; M849-Y910 HydrophobicContact CE-CE2 4.18Å; M849-Y910 HydrophobicContact SD-CD1 4.2Å; M849-Y910 HydrophobicContact SD-CE1 3.89Å; A860-Y910 HydrophobicContact CB-CE1 3.76Å; F862-Y910 HydrophobicContact CZ-CD1 4.18Å; F862-Y910 HydrophobicContact CZ-CE1 4.26Å; A908-Y910 HydrophobicContact CB-CD2 4.45Å; A908-Y910 HydrophobicContact CB-CE2 3.77Å; A908-Y910 WeakPolarHBondContact O-CD2 2.97Å; Y910-C913 VanDerWaalsContact O-CB 3.25Å; Y910-C913 WeakPolarHBondContact O-CB 3.47Å; Y910-C913 PolarHBondContact O-SG 2.9Å
911	E	82.3	Confident	76.4	Confident	138 Å²	138	63.5 Å²	63.5	65%	0.645	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	144.7	178.5	-64	170.3	178.7	0	0	112.4	C913 K932	E911-C913 PolarHBondContact O-N 3.27Å; E911-C913 PolarHBondContact O-SG 3.36Å; E911-K932 WeakPolarHBondContact O-CE 3.49Å; E911-K932 PolarHBondContact O-NZ 2.83Å
912	N	88.7	Confident	76.5	Confident	34 Å²	34	64.8 Å²	64.8	18%	0.182	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	29.6	177.6	-52.5	-17.4	0	0	0	114.1	K932 A933 T935 K936	N912-K932 WeakPolarHBondContact O-CA 3.5Å; N912-A933 WeakPolarHBondContact CB-O 3.37Å; N912-A933 PolarHBondContact O-N 3.47Å; N912-T935 VanDerWaalsContact ND2-C 3.27Å; N912-T935 WeakPolarHBondContact ND2-CA 3.31Å; N912-K936 PolarHBondContact ND2-N 2.67Å; N912-K936 WeakPolarHBondContact OD1-CA 3.46Å; N912-K936 WeakPolarHBondContact OD1-CB 3.42Å
913	C	90.1	Very high	77.4	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.02	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.4	-177.9	-61.7	0	0	0	0	113.2	L901 Y910 E911 L930 L931 K932	L901-C913 HydrophobicContact CB-CB 4.31Å; L901-C913 WeakPolarHBondContact CB-O 3.32Å; L901-C913 HydrophobicContact CD2-CB 4.34Å; L901-C913 PolarHBondContact N-O 3.41Å; Y910-C913 VanDerWaalsContact O-CB 3.25Å; Y910-C913 WeakPolarHBondContact O-CB 3.47Å; Y910-C913 PolarHBondContact O-SG 2.9Å; E911-C913 PolarHBondContact O-N 3.27Å; E911-C913 PolarHBondContact O-SG 3.36Å; C913-L930 HydrophobicContact CB-CD1 4.16Å; C913-L931 CarbonylContact C-O 3.42Å; C913-L931 VanDerWaalsContact CA-O 3.26Å; C913-L931 WeakPolarHBondContact CA-O 3.22Å; C913-K932 VanDerWaalsContact SG-CB 3.5Å
914	F	91.1	Very high	78.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	149.8	178.2	69.6	-81.4	0	0	0	111.1	L846 A898 Q899 L916 L931 M939 W942 L943	L846-F914 HydrophobicContact CD1-CE1 4.01Å; L846-F914 HydrophobicContact CD1-CZ 3.71Å; L846-F914 HydrophobicContact CD2-CE1 4.43Å; A898-F914 HydrophobicContact CB-CD2 4.35Å; Q899-F914 CarbonylContact O-C 3.53Å; Q899-F914 WeakPolarHBondContact O-CA 3.22Å; Q899-F914 WeakPolarHBondContact O-CB 3.37Å; F914-L916 HydrophobicContact CE2-CB 4.28Å; F914-L916 HydrophobicContact CE2-CD1 4.46Å; F914-L931 HydrophobicContact CD1-CB 4.2Å; F914-L931 HydrophobicContact CE1-CB 3.82Å; F914-L931 HydrophobicContact CE2-CB 4.32Å; F914-L931 HydrophobicContact CE2-CD1 4.02Å; F914-L931 HydrophobicContact CZ-CB 3.89Å; F914-L931 HydrophobicContact CZ-CD1 3.84Å; F914-L931 HydrophobicContact CZ-CG 4.48Å; F914-L931 PolarHBondContact N-O 2.92Å; F914-L931 PolarHBondContact O-N 3.27Å; F914-M939 HydrophobicContact CB-CG 4.33Å; F914-M939 HydrophobicContact CD1-CG 3.96Å; F914-W942 HydrophobicContact CE1-CB 4.23Å; F914-W942 HydrophobicContact CE2-CB 4.46Å; F914-W942 HydrophobicContact CZ-CB 3.87Å; F914-W942 HydrophobicContact CZ-CG 4.21Å; F914-L943 HydrophobicContact CB-CD2 4.06Å; F914-L943 HydrophobicContact CB-CG 4.41Å; F914-L943 HydrophobicContact CD2-CD2 4.3Å; F914-L943 HydrophobicContact CG-CD2 4.43Å
915	N	90.6	Very high	80.5	Confident	30 Å²	30	59.2 Å²	59.2	16%	0.16	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125	174.3	-157.6	-7.6	0	0	0	109.6	A898 Q899 E928 R929	A898-N915 WeakPolarHBondContact CA-O 3.25Å; Q899-N915 PolarHBondContact N-O 2.95Å; Q899-N915 PolarHBondContact O-N 3.23Å; N915-E928 PolarHBondContact ND2-OE1 3.1Å; N915-E928 WeakPolarHBondContact OD1-CG 3.15Å; N915-R929 PolarHBondContact OD1-O 3.21Å
916	L	92.6	Very high	82.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	108.5	174.5	-178.9	81.9	0	0	0	108.5	L874 I876 V896 A898 F914 R929 L931 F946	L874-L916 HydrophobicContact CD2-CD1 4.27Å; L874-L916 HydrophobicContact CD2-CD2 3.83Å; I876-L916 HydrophobicContact CD1-CD2 4.06Å; V896-L916 HydrophobicContact CG1-CD1 3.41Å; V896-L916 VanDerWaalsContact CG1-CD1 3.41Å; V896-L916 HydrophobicContact CG1-CG 4.31Å; A898-L916 HydrophobicContact CB-CD1 4.2Å; F914-L916 HydrophobicContact CE2-CB 4.28Å; F914-L916 HydrophobicContact CE2-CD1 4.46Å; L916-R929 HydrophobicContact CB-CB 4.28Å; L916-R929 PolarHBondContact N-O 2.82Å; L916-R929 PolarHBondContact O-N 2.82Å; L916-L931 HydrophobicContact CB-CD1 3.88Å; L916-L931 HydrophobicContact CB-CG 4.35Å; L916-L931 HydrophobicContact CD2-CD1 3.71Å; L916-L931 HydrophobicContact CG-CD1 4.37Å; L916-F946 HydrophobicContact CD1-CD2 4.3Å; L916-F946 HydrophobicContact CD1-CE1 4.47Å; L916-F946 HydrophobicContact CD1-CE2 3.76Å; L916-F946 HydrophobicContact CD1-CZ 3.86Å
917	M	90.6	Very high	83.9	Confident	61 Å²	61	57 Å²	57	30%	0.3	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.8	175.7	-167.6	-178.2	-55.5	0	0	110.1	Q897 L919 T926	Q897-M917 HydrophobicContact CB-CB 4.41Å; Q897-M917 PolarHBondContact N-O 3.46Å; Q897-M917 PolarHBondContact O-N 3.35Å; M917-L919 HydrophobicContact CG-CD2 4.4Å; M917-L919 HydrophobicContact SD-CD2 3.94Å; M917-T926 HydrophobicContact CG-CG2 4.32Å; M917-T926 HydrophobicContact SD-CG2 4.38Å
918	M	91.6	Very high	85.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	107.9	165.6	-58.2	-176.6	-65	0	0	107	I876 D889 T891 L895 E920 N921 T926 M927 R929	I876-M918 HydrophobicContact CD1-CE 3.82Å; I876-M918 HydrophobicContact CD1-SD 3.74Å; D889-M918 HydrophobicContact CB-CE 4.16Å; D889-M918 VanDerWaalsContact OD2-CE 3.28Å; D889-M918 WeakPolarHBondContact OD2-CE 3.3Å; T891-M918 HydrophobicContact CG2-CB 4.07Å; T891-M918 HydrophobicContact CG2-CG 3.73Å; T891-M918 HydrophobicContact CG2-SD 3.72Å; L895-M918 CarbonylContact O-C 3.59Å; M918-E920 VanDerWaalsContact C-N 3.3Å; M918-E920 PolarHBondContact O-N 3.42Å; M918-N921 HydrophobicContact CE-CB 4.3Å; M918-T926 CarbonylContact O-C 3.51Å; M918-T926 VanDerWaalsContact O-CA 3.31Å; M918-T926 WeakPolarHBondContact O-CA 3.43Å; M918-M927 HydrophobicContact CB-CB 4.43Å; M918-M927 HydrophobicContact CE-CB 3.74Å; M918-M927 HydrophobicContact CE-CE 4.34Å; M918-M927 HydrophobicContact CE-CG 4.34Å; M918-M927 PolarHBondContact N-O 2.88Å; M918-M927 PolarHBondContact O-N 3.47Å; M918-R929 HydrophobicContact CE-CG 4.45Å
919	L	89.3	Confident	86.9	Confident	61 Å²	61	57.6 Å²	57.6	32%	0.319	29%	0.292	S	S	.	.	S	Bend	trans	-59.8	-42.4	-177.4	-65	178	0	0	0	111.6	L895 Q897 M917 T926	L895-L919 HydrophobicContact CB-CB 4.44Å; L895-L919 WeakPolarHBondContact O-CB 3.38Å; L895-L919 PolarHBondContact O-N 3.34Å; Q897-L919 HydrophobicContact CG-CD1 4.22Å; Q897-L919 HydrophobicContact CG-CD2 4.39Å; Q897-L919 HydrophobicContact CG-CG 4.25Å; M917-L919 HydrophobicContact CG-CD2 4.4Å; M917-L919 HydrophobicContact SD-CD2 3.94Å; L919-T926 WeakPolarHBondContact O-CA 3.31Å; L919-T926 WeakPolarHBondContact O-CB 3.47Å; L919-T926 PolarHBondContact O-N 3.42Å; L919-T926 PolarHBondContact O-OG1 3.39Å
920	E	90.1	Very high	88.2	Confident	105 Å²	105	53.3 Å²	53.3	49%	0.491	27%	0.266	S	S	.	.	S	Bend	trans	-140.9	114	171.9	-167.1	-173.9	167	0	0	108.7	T891 L895 M918	T891-E920 WeakPolarHBondContact CB-O 3.36Å; T891-E920 PolarHBondContact OG1-O 2.96Å; L895-E920 HydrophobicContact CD1-CB 4.23Å; M918-E920 VanDerWaalsContact C-N 3.3Å; M918-E920 PolarHBondContact O-N 3.42Å
921	N	88.4	Confident	89.1	Confident	5 Å²	5	51 Å²	51	3%	0.027	26%	0.256	C	S	.	.			trans	-85	179.2	170.2	85.9	-16.4	0	0	0	111.5	D889 M918 Q923 G924 R925 M927	D889-N921 WeakPolarHBondContact OD1-CB 3.41Å; D889-N921 PolarHBondContact OD1-ND2 3.39Å; D889-N921 VanDerWaalsContact OD1-ND2 3.12Å; D889-N921 PolarHBondContact OD2-ND2 3.34Å; M918-N921 HydrophobicContact CE-CB 4.3Å; N921-Q923 PolarHBondContact O-N 3.49Å; N921-Q923 WeakPolarHBondContact OD1-CA 3.48Å; N921-Q923 WeakPolarHBondContact OD1-CB 3.5Å; N921-Q923 PolarHBondContact OD1-N 3.44Å; N921-G924 PolarHBondContact O-N 2.84Å; N921-R925 PolarHBondContact N-O 3.16Å; N921-R925 WeakPolarHBondContact OD1-CB 3.22Å; N921-R925 PolarHBondContact OD1-N 2.92Å; N921-R925 PolarHBondContact OD1-O 3.4Å; N921-M927 HydrophobicContact CB-CG 4.22Å
922	H	84.7	Confident	89.6	Confident	55 Å²	55	46.9 Å²	46.9	26%	0.255	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-4.3	178.5	78	-85.1	0	0	0	116.9	F828 D889 H890	F828-H922 AromaticContact CD1-CD2 3.89Å; F828-H922 AromaticContact CD1-CE1 3.95Å; F828-H922 AromaticContact CD1-NE2 3.05Å; F828-H922 WeakPolarHBondContact CD1-NE2 3.41Å; F828-H922 AromaticContact CD2-CE1 3.99Å; F828-H922 AromaticContact CD2-NE2 3.81Å; F828-H922 AromaticContact CE1-NE2 3.38Å; F828-H922 WeakPolarHBondContact CE1-NE2 3.31Å; F828-H922 AromaticContact CG-CD2 3.95Å; F828-H922 AromaticContact CG-CE1 3.93Å; F828-H922 AromaticContact CG-NE2 3.29Å; F828-H922 VanDerWaalsContact CG-NE2 3.29Å; F828-H922 WeakPolarHBondContact CG-NE2 3.4Å; F828-H922 AromaticContact CZ-NE2 3.88Å; D889-H922 IonicContact OD1-CE1 2.72Å; D889-H922 PolarHBondContact OD1-CE1 3.38Å; D889-H922 VanDerWaalsContact OD1-CE1 3.29Å; D889-H922 IonicContact OD1-CG 3.13Å; D889-H922 IonicContact OD1-ND1 2.66Å; D889-H922 PolarHBondContact OD1-ND1 3.28Å; H890-H922 WeakPolarHBondContact CE1-CB 3.38Å; H890-H922 AromaticContact CE1-CG 3.7Å; H890-H922 AromaticContact ND1-CG 3.85Å; H890-H922 WeakPolarHBondContact NE2-CB 3.28Å; H890-H922 PolarHBondContact O-N 3.37Å
923	Q	85.1	Confident	89.8	Confident	83 Å²	83	45.3 Å²	45.3	39%	0.388	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	6.6	177.1	-51	-175.5	-1.2	0	0	113.1	N921 R925	N921-Q923 PolarHBondContact O-N 3.49Å; N921-Q923 WeakPolarHBondContact OD1-CA 3.48Å; N921-Q923 WeakPolarHBondContact OD1-CB 3.5Å; N921-Q923 PolarHBondContact OD1-N 3.44Å; Q923-R925 HydrophobicContact CB-CG 4.13Å
924	G	84.6	Confident	89.8	Confident	50 Å²	50	49.7 Å²	49.7	52%	0.515	26%	0.257	S	S	.	.	S	Bend	trans	72.8	27.6	-172.2	0	0	0	0	0	113	N921	N921-G924 PolarHBondContact O-N 2.84Å
925	R	88.4	Confident	89.8	Confident	147 Å²	147	52.2 Å²	52.2	56%	0.555	27%	0.272	S	S	*	.			trans	-121.9	131.6	-171.6	-65.3	175.4	172.4	169.8	-9.2	112.5	N921 Q923 M927	N921-R925 PolarHBondContact N-O 3.16Å; N921-R925 WeakPolarHBondContact OD1-CB 3.22Å; N921-R925 PolarHBondContact OD1-N 2.92Å; N921-R925 PolarHBondContact OD1-O 3.4Å; Q923-R925 HydrophobicContact CB-CG 4.13Å; R925-M927 HydrophobicContact CB-CG 4.4Å
926	T	90.5	Very high	89.7	Confident	101 Å²	101	54.6 Å²	54.6	62%	0.62	28%	0.281	S	S	*	.			trans	-66.4	128.7	164.1	-46.7	0	0	0	0	109.8	M917 M918 L919	M917-T926 HydrophobicContact CG-CG2 4.32Å; M917-T926 HydrophobicContact SD-CG2 4.38Å; M918-T926 CarbonylContact O-C 3.51Å; M918-T926 VanDerWaalsContact O-CA 3.31Å; M918-T926 WeakPolarHBondContact O-CA 3.43Å; L919-T926 WeakPolarHBondContact O-CA 3.31Å; L919-T926 WeakPolarHBondContact O-CB 3.47Å; L919-T926 PolarHBondContact O-N 3.42Å; L919-T926 PolarHBondContact O-OG1 3.39Å
927	M	89.2	Confident	89.5	Confident	50 Å²	50	54.7 Å²	54.7	25%	0.246	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	125.9	-175.7	-65.3	-99.7	-65.3	0	0	109.9	D889 M918 N921 R925 R929	D889-M927 WeakPolarHBondContact OD2-CE 3.41Å; M918-M927 HydrophobicContact CB-CB 4.43Å; M918-M927 HydrophobicContact CE-CB 3.74Å; M918-M927 HydrophobicContact CE-CE 4.34Å; M918-M927 HydrophobicContact CE-CG 4.34Å; M918-M927 PolarHBondContact N-O 2.88Å; M918-M927 PolarHBondContact O-N 3.47Å; N921-M927 HydrophobicContact CB-CG 4.22Å; R925-M927 HydrophobicContact CB-CG 4.4Å; M927-R929 VanDerWaalsContact CE-NH2 3.33Å
928	E	89.8	Confident	89.4	Confident	95 Å²	95	52.4 Å²	52.4	44%	0.444	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.4	176.6	-173.1	-160.2	-179.9	0	0	109.5	K851 N915	K851-E928 IonicContact NZ-OE1 2.67Å; K851-E928 PolarHBondContact NZ-OE1 3.47Å; K851-E928 IonicContact NZ-OE2 2.66Å; K851-E928 PolarHBondContact NZ-OE2 2.93Å; N915-E928 PolarHBondContact ND2-OE1 3.1Å; N915-E928 WeakPolarHBondContact OD1-CG 3.15Å
929	R	89.5	Confident	89.4	Confident	39 Å²	39	53.5 Å²	53.5	15%	0.147	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	112.4	179.8	-59.6	-67.1	-167.7	148.8	13.5	109.3	E848 I876 D889 N915 L916 M918 M927 L931	E848-R929 VanDerWaalsContact OE1-CD 3.23Å; E848-R929 WeakPolarHBondContact OE1-CD 3.34Å; E848-R929 IonicContact OE1-CZ 2.75Å; E848-R929 IonicContact OE1-NE 3.25Å; E848-R929 IonicContact OE1-NH1 2.69Å; E848-R929 PolarHBondContact OE1-NH1 3.5Å; E848-R929 IonicContact OE2-CZ 2.7Å; E848-R929 IonicContact OE2-NH1 2.63Å; E848-R929 PolarHBondContact OE2-NH1 2.9Å; I876-R929 HydrophobicContact CD1-CG 4.26Å; D889-R929 IonicContact OD2-NH2 3.24Å; N915-R929 PolarHBondContact OD1-O 3.21Å; L916-R929 HydrophobicContact CB-CB 4.28Å; L916-R929 PolarHBondContact N-O 2.82Å; L916-R929 PolarHBondContact O-N 2.82Å; M918-R929 HydrophobicContact CE-CG 4.45Å; M927-R929 VanDerWaalsContact CE-NH2 3.33Å; R929-L931 HydrophobicContact CB-CD2 4.3Å; R929-L931 HydrophobicContact CB-CG 4.36Å; R929-L931 PolarHBondContact O-N 3.29Å
930	L	91.4	Very high	89.4	Confident	11 Å²	11	53.6 Å²	53.6	6%	0.058	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	115.3	170.6	176.2	53.4	0	0	0	109	E848 M849 L901 C913	E848-L930 WeakPolarHBondContact CA-O 3.43Å; M849-L930 HydrophobicContact CB-CB 4.29Å; M849-L930 HydrophobicContact CB-CD2 4.07Å; M849-L930 HydrophobicContact CB-CG 3.98Å; M849-L930 HydrophobicContact CE-CD2 4.19Å; M849-L930 HydrophobicContact CG-CD2 4.13Å; M849-L930 PolarHBondContact N-O 2.92Å; M849-L930 HydrophobicContact SD-CD2 3.59Å; M849-L930 VanDerWaalsContact SD-CD2 3.59Å; M849-L930 HydrophobicContact SD-CG 4.42Å; L901-L930 HydrophobicContact CB-CD1 4.4Å; L901-L930 HydrophobicContact CD2-CD1 3.81Å; L901-L930 HydrophobicContact CD2-CD2 4.18Å; L901-L930 HydrophobicContact CG-CD1 4.47Å; C913-L930 HydrophobicContact CB-CD1 4.16Å
931	L	92.8	Very high	89.4	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.3	-176.5	-59	-178.2	0	0	0	110.7	L846 Q847 E848 V865 L867 C913 F914 L916 R929	L846-L931 HydrophobicContact CD1-CB 4.37Å; L846-L931 HydrophobicContact CD1-CD1 3.86Å; Q847-L931 CarbonylContact O-C 3.55Å; Q847-L931 WeakPolarHBondContact O-CA 3.44Å; E848-L931 HydrophobicContact CB-CD2 3.91Å; E848-L931 HydrophobicContact CG-CD2 4.18Å; V865-L931 HydrophobicContact CG2-CD2 4Å; L867-L931 HydrophobicContact CD2-CD1 4.12Å; C913-L931 CarbonylContact C-O 3.42Å; C913-L931 VanDerWaalsContact CA-O 3.26Å; C913-L931 WeakPolarHBondContact CA-O 3.22Å; F914-L931 HydrophobicContact CD1-CB 4.2Å; F914-L931 HydrophobicContact CE1-CB 3.82Å; F914-L931 HydrophobicContact CE2-CB 4.32Å; F914-L931 HydrophobicContact CE2-CD1 4.02Å; F914-L931 HydrophobicContact CZ-CB 3.89Å; F914-L931 HydrophobicContact CZ-CD1 3.84Å; F914-L931 HydrophobicContact CZ-CG 4.48Å; F914-L931 PolarHBondContact N-O 2.92Å; F914-L931 PolarHBondContact O-N 3.27Å; L916-L931 HydrophobicContact CB-CD1 3.88Å; L916-L931 HydrophobicContact CB-CG 4.35Å; L916-L931 HydrophobicContact CD2-CD1 3.71Å; L916-L931 HydrophobicContact CG-CD1 4.37Å; R929-L931 HydrophobicContact CB-CD2 4.3Å; R929-L931 HydrophobicContact CB-CG 4.36Å; R929-L931 PolarHBondContact O-N 3.29Å
932	K	92.3	Very high	89.5	Confident	52 Å²	52	48.9 Å²	48.9	23%	0.226	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.5	169.2	179.2	172.2	173.3	117	0	110.2	Q847 F862 E911 N912 C913	Q847-K932 HydrophobicContact CB-CB 4.27Å; Q847-K932 PolarHBondContact N-O 3.12Å; Q847-K932 PolarHBondContact O-N 2.87Å; F862-K932 HydrophobicContact CD1-CB 4.5Å; F862-K932 HydrophobicContact CE1-CB 4.11Å; F862-K932 HydrophobicContact CE1-CD 4.28Å; E911-K932 WeakPolarHBondContact O-CE 3.49Å; E911-K932 PolarHBondContact O-NZ 2.83Å; N912-K932 WeakPolarHBondContact O-CA 3.5Å; C913-K932 VanDerWaalsContact SG-CB 3.5Å
933	A	93.1	Very high	89.8	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.017	25%	0.248	C	C	.	.			trans	-90.1	158	171.6	0	0	0	0	0	112	L846 N912 D938 M939	L846-A933 HydrophobicContact CD2-CB 3.73Å; N912-A933 WeakPolarHBondContact CB-O 3.37Å; N912-A933 PolarHBondContact O-N 3.47Å; A933-D938 HydrophobicContact CB-CB 4.28Å; A933-M939 HydrophobicContact CB-CB 3.87Å
934	P	91.1	Very high	89.8	Confident	95 Å²	95	45.4 Å²	45.4	62%	0.617	24%	0.242	S	C	*	.	S	Bend	trans	-62.1	-41.4	177.1	-22.8	34.4	0	0	0	112.9
935	T	90.7	Very high	90	Very high	53 Å²	53	43.8 Å²	43.8	33%	0.325	23%	0.225	S	C	.	.	S	Bend	trans	-129.7	169.2	-177.5	71.1	0	0	0	0	111.5	N912 S937 D938 M939 E998	N912-T935 VanDerWaalsContact ND2-C 3.27Å; N912-T935 WeakPolarHBondContact ND2-CA 3.31Å; T935-S937 PolarHBondContact OG1-OG 2.7Å; T935-S937 VanDerWaalsContact OG1-OG 3.11Å; T935-D938 PolarHBondContact OG1-N 3.21Å; T935-D938 VanDerWaalsContact OG1-N 3.1Å; T935-M939 PolarHBondContact O-N 3.37Å; T935-E998 VanDerWaalsContact CB-OE2 3.27Å; T935-E998 WeakPolarHBondContact CB-OE2 3.26Å; T935-E998 PolarHBondContact OG1-OE2 3.17Å
936	K	87.5	Confident	89.9	Confident	80 Å²	80	37.1 Å²	37.1	35%	0.348	20%	0.2	S	C	.	.	H	α-helix	trans	-73	-34.8	177.2	-167.2	177.9	170.3	-165	0	111.2	N912 M939 Q940 N997 E998	N912-K936 PolarHBondContact ND2-N 2.67Å; N912-K936 WeakPolarHBondContact OD1-CA 3.46Å; N912-K936 WeakPolarHBondContact OD1-CB 3.42Å; K936-M939 HydrophobicContact CG-CE 4.32Å; K936-M939 WeakPolarHBondContact O-CB 3.29Å; K936-M939 PolarHBondContact O-N 3.14Å; K936-Q940 WeakPolarHBondContact O-CB 3.37Å; K936-Q940 WeakPolarHBondContact O-CG 3.42Å; K936-Q940 PolarHBondContact O-N 2.75Å; K936-N997 WeakPolarHBondContact CD-OD1 3.31Å; K936-N997 VanDerWaalsContact CE-OD1 3.31Å; K936-N997 WeakPolarHBondContact CE-OD1 3.27Å; K936-N997 PolarHBondContact NZ-OD1 2.85Å; K936-E998 WeakPolarHBondContact CA-OE1 3.47Å; K936-E998 HydrophobicContact CB-CG 4.45Å; K936-E998 WeakPolarHBondContact CB-OE1 3.2Å; K936-E998 PolarHBondContact N-OE1 2.9Å; K936-E998 PolarHBondContact N-OE2 2.81Å
937	S	87.9	Confident	88.9	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-67	-34	174.2	57.9	0	0	0	0	112.8	T935 R941 E998	T935-S937 PolarHBondContact OG1-OG 2.7Å; T935-S937 VanDerWaalsContact OG1-OG 3.11Å; S937-R941 VanDerWaalsContact O-CB 3.31Å; S937-R941 WeakPolarHBondContact O-CB 3.38Å; S937-R941 VanDerWaalsContact O-CG 3.26Å; S937-R941 WeakPolarHBondContact O-CG 3.5Å; S937-R941 PolarHBondContact O-N 3.25Å; S937-R941 PolarHBondContact O-NE 3.04Å; S937-R941 PolarHBondContact OG-NH2 2.89Å; S937-E998 WeakPolarHBondContact CA-OE2 3.36Å; S937-E998 WeakPolarHBondContact CB-OE2 3.4Å; S937-E998 PolarHBondContact N-OE2 2.81Å; S937-E998 PolarHBondContact OG-OE2 2.82Å
938	D	90.3	Very high	87.4	Confident	13 Å²	13	36.4 Å²	36.4	7%	0.07	20%	0.202	C	C	.	.	H	α-helix	trans	-72.4	-39.6	174.3	-167.8	56.1	0	0	0	110.7	K842 A933 T935 Q940 R941 W942	K842-D938 VanDerWaalsContact CE-OD1 3.27Å; K842-D938 WeakPolarHBondContact CE-OD1 3.46Å; K842-D938 IonicContact NZ-OD1 3.13Å; K842-D938 PolarHBondContact NZ-OD1 3.02Å; A933-D938 HydrophobicContact CB-CB 4.28Å; T935-D938 PolarHBondContact OG1-N 3.21Å; T935-D938 VanDerWaalsContact OG1-N 3.1Å; D938-Q940 VanDerWaalsContact C-N 3.34Å; D938-Q940 PolarHBondContact O-N 3.39Å; D938-R941 PolarHBondContact O-N 2.85Å; D938-W942 PolarHBondContact O-N 2.85Å; D938-W942 PolarHBondContact OD1-NE1 2.91Å; D938-W942 PolarHBondContact OD2-NE1 3.38Å
939	M	91.4	Very high	85.6	Confident	22 Å²	22	34.2 Å²	34.2	11%	0.108	20%	0.195	C	C	.	.	H	α-helix	trans	-55.8	-48	169.9	-174.3	-165.9	73.8	0	0	111.7	F914 A933 T935 K936 W942 L943	F914-M939 HydrophobicContact CB-CG 4.33Å; F914-M939 HydrophobicContact CD1-CG 3.96Å; A933-M939 HydrophobicContact CB-CB 3.87Å; T935-M939 PolarHBondContact O-N 3.37Å; K936-M939 HydrophobicContact CG-CE 4.32Å; K936-M939 WeakPolarHBondContact O-CB 3.29Å; K936-M939 PolarHBondContact O-N 3.14Å; M939-W942 PolarHBondContact O-N 2.94Å; M939-L943 HydrophobicContact CE-CD1 4.23Å; M939-L943 HydrophobicContact CG-CD1 4.09Å; M939-L943 WeakPolarHBondContact O-CG 3.28Å; M939-L943 PolarHBondContact O-N 3.14Å
940	Q	87.7	Confident	83.7	Confident	63 Å²	63	36.4 Å²	36.4	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-64.8	-39	178.5	-73.7	-179.7	-50.5	0	0	112.1	K936 D938 L943 A944 T996	K936-Q940 WeakPolarHBondContact O-CB 3.37Å; K936-Q940 WeakPolarHBondContact O-CG 3.42Å; K936-Q940 PolarHBondContact O-N 2.75Å; D938-Q940 VanDerWaalsContact C-N 3.34Å; D938-Q940 PolarHBondContact O-N 3.39Å; Q940-L943 PolarHBondContact O-N 2.91Å; Q940-A944 VanDerWaalsContact O-CB 3.31Å; Q940-A944 WeakPolarHBondContact O-CB 3.48Å; Q940-A944 PolarHBondContact O-N 2.92Å; Q940-T996 HydrophobicContact CB-CG2 4.47Å
941	R	90.5	Very high	81.7	Confident	12 Å²	12	44.2 Å²	44.2	5%	0.045	25%	0.246	C	C	.	.	H	α-helix	trans	-65	-41.8	173.5	-78.8	-179	-80.6	-179.7	-13.5	112.5	S937 D938 A945 D980 E981 W1013	S937-R941 VanDerWaalsContact O-CB 3.31Å; S937-R941 WeakPolarHBondContact O-CB 3.38Å; S937-R941 VanDerWaalsContact O-CG 3.26Å; S937-R941 WeakPolarHBondContact O-CG 3.5Å; S937-R941 PolarHBondContact O-N 3.25Å; S937-R941 PolarHBondContact O-NE 3.04Å; S937-R941 PolarHBondContact OG-NH2 2.89Å; D938-R941 PolarHBondContact O-N 2.85Å; R941-A945 VanDerWaalsContact O-CB 3.24Å; R941-A945 WeakPolarHBondContact O-CB 3.21Å; R941-A945 PolarHBondContact O-N 3.03Å; R941-D980 WeakPolarHBondContact CD-OD2 3.28Å; R941-E981 IonicContact NH1-OE1 2.88Å; R941-E981 PolarHBondContact NH1-OE1 2.88Å; R941-W1013 HydrophobicContact CG-CD2 3.65Å; R941-W1013 HydrophobicContact CG-CE3 4.16Å; R941-W1013 HydrophobicContact CG-CG 3.88Å; R941-W1013 HydrophobicContact CG-CZ2 4.15Å
942	W	92	Very high	79.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-42.4	173.2	-80.6	109.6	0	0	0	112.4	K842 L846 L867 L869 F914 D938 M939 A945 F946	K842-W942 HydrophobicContact CB-CH2 4.2Å; K842-W942 HydrophobicContact CB-CZ3 4.13Å; K842-W942 HydrophobicContact CD-CD2 3.78Å; K842-W942 HydrophobicContact CD-CE3 3.93Å; K842-W942 HydrophobicContact CD-CG 4.29Å; K842-W942 HydrophobicContact CD-CH2 4.26Å; K842-W942 HydrophobicContact CD-CZ2 4.13Å; K842-W942 HydrophobicContact CD-CZ3 4.16Å; K842-W942 VanDerWaalsContact CE-CE2 3.46Å; K842-W942 HydrophobicContact CG-CD2 4.39Å; K842-W942 HydrophobicContact CG-CE3 4.3Å; K842-W942 HydrophobicContact CG-CH2 3.79Å; K842-W942 HydrophobicContact CG-CZ2 3.88Å; K842-W942 HydrophobicContact CG-CZ3 4.01Å; L846-W942 HydrophobicContact CD1-CD2 4.27Å; L846-W942 HydrophobicContact CD1-CG 4.42Å; L846-W942 HydrophobicContact CD1-CZ2 4.5Å; L867-W942 HydrophobicContact CB-CH2 3.48Å; L867-W942 VanDerWaalsContact CB-CH2 3.48Å; L867-W942 HydrophobicContact CB-CZ2 4.13Å; L867-W942 HydrophobicContact CB-CZ3 3.99Å; L867-W942 HydrophobicContact CD2-CE3 4.37Å; L867-W942 HydrophobicContact CD2-CH2 4.23Å; L867-W942 HydrophobicContact CD2-CZ3 4.01Å; L869-W942 HydrophobicContact CB-CZ3 4.04Å; L869-W942 HydrophobicContact CD2-CZ3 4.22Å; F914-W942 HydrophobicContact CE1-CB 4.23Å; F914-W942 HydrophobicContact CE2-CB 4.46Å; F914-W942 HydrophobicContact CZ-CB 3.87Å; F914-W942 HydrophobicContact CZ-CG 4.21Å; D938-W942 PolarHBondContact O-N 2.85Å; D938-W942 PolarHBondContact OD1-NE1 2.91Å; D938-W942 PolarHBondContact OD2-NE1 3.38Å; M939-W942 PolarHBondContact O-N 2.94Å; W942-A945 PolarHBondContact O-N 2.95Å; W942-F946 HydrophobicContact CE3-CE2 4.13Å; W942-F946 HydrophobicContact CE3-CZ 4.41Å; W942-F946 WeakPolarHBondContact O-CD2 3.31Å
943	L	90	Very high	77	Confident	32 Å²	32	55.7 Å²	55.7	17%	0.168	30%	0.304	C	S	.	.	H	α-helix	trans	-63.1	-50.5	176.1	-74	167.6	0	0	0	111.5	A898 P900 F914 M939 Q940 A945 F946	A898-L943 HydrophobicContact CB-CD2 3.94Å; P900-L943 HydrophobicContact CB-CD1 4.04Å; F914-L943 HydrophobicContact CB-CD2 4.06Å; F914-L943 HydrophobicContact CB-CG 4.41Å; F914-L943 HydrophobicContact CD2-CD2 4.3Å; F914-L943 HydrophobicContact CG-CD2 4.43Å; M939-L943 HydrophobicContact CE-CD1 4.23Å; M939-L943 HydrophobicContact CG-CD1 4.09Å; M939-L943 WeakPolarHBondContact O-CG 3.28Å; M939-L943 PolarHBondContact O-N 3.14Å; Q940-L943 PolarHBondContact O-N 2.91Å; L943-A945 PolarHBondContact O-N 2.86Å; L943-F946 PolarHBondContact O-N 2.96Å
944	A	85.9	Confident	74.8	Confident	32 Å²	32	60.9 Å²	60.9	26%	0.264	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-22.4	177	0	0	0	0	0	113.5	Q940 F946 W1013	Q940-A944 VanDerWaalsContact O-CB 3.31Å; Q940-A944 WeakPolarHBondContact O-CB 3.48Å; Q940-A944 PolarHBondContact O-N 2.92Å; A944-F946 VanDerWaalsContact C-N 3.28Å; A944-F946 PolarHBondContact O-N 3.09Å; A944-W1013 HydrophobicContact CB-CZ2 4.04Å
945	A	87.6	Confident	72.6	Confident	17 Å²	17	64.1 Å²	64.1	14%	0.14	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.8	173.7	0	0	0	0	0	113.7	L869 R893 R941 W942 L943	L869-A945 HydrophobicContact CD2-CB 3.78Å; R893-A945 PolarHBondContact NH1-O 2.77Å; R893-A945 PolarHBondContact NH2-O 3.36Å; R941-A945 VanDerWaalsContact O-CB 3.24Å; R941-A945 WeakPolarHBondContact O-CB 3.21Å; R941-A945 PolarHBondContact O-N 3.03Å; W942-A945 PolarHBondContact O-N 2.95Å; L943-A945 PolarHBondContact O-N 2.86Å
946	F	86.3	Confident	70.7	Confident	7 Å²	7	69.7 Å²	69.7	3%	0.031	37%	0.37	C	S	.	.	S	Bend	trans	-113.5	158.7	174.9	-65.7	-66.3	0	0	0	112.4	L869 L874 V896 A898 L916 W942 L943 A944 S948	L869-F946 HydrophobicContact CD1-CD1 4.38Å; L869-F946 HydrophobicContact CD1-CE1 3.58Å; L869-F946 HydrophobicContact CD1-CZ 4.23Å; L869-F946 HydrophobicContact CD2-CD1 4.2Å; L869-F946 HydrophobicContact CD2-CE1 3.64Å; L869-F946 HydrophobicContact CD2-CE2 4.4Å; L869-F946 HydrophobicContact CD2-CZ 3.76Å; L869-F946 HydrophobicContact CG-CE1 4.24Å; L874-F946 HydrophobicContact CD1-CZ 4.32Å; L874-F946 HydrophobicContact CD2-CE1 4.15Å; L874-F946 HydrophobicContact CD2-CZ 4.01Å; V896-F946 HydrophobicContact CB-CD1 4.05Å; V896-F946 HydrophobicContact CB-CE1 4.15Å; V896-F946 HydrophobicContact CG1-CD1 3.56Å; V896-F946 HydrophobicContact CG1-CE1 3.53Å; V896-F946 HydrophobicContact CG1-CG 4.16Å; V896-F946 HydrophobicContact CG1-CZ 4.12Å; V896-F946 HydrophobicContact CG2-CE1 4.44Å; A898-F946 HydrophobicContact CB-CB 3.93Å; A898-F946 HydrophobicContact CB-CD2 3.46Å; A898-F946 VanDerWaalsContact CB-CD2 3.46Å; A898-F946 HydrophobicContact CB-CE2 4.27Å; A898-F946 HydrophobicContact CB-CG 3.95Å; L916-F946 HydrophobicContact CD1-CD2 4.3Å; L916-F946 HydrophobicContact CD1-CE1 4.47Å; L916-F946 HydrophobicContact CD1-CE2 3.76Å; L916-F946 HydrophobicContact CD1-CZ 3.86Å; W942-F946 HydrophobicContact CE3-CE2 4.13Å; W942-F946 HydrophobicContact CE3-CZ 4.41Å; W942-F946 WeakPolarHBondContact O-CD2 3.31Å; L943-F946 PolarHBondContact O-N 2.96Å; A944-F946 VanDerWaalsContact C-N 3.28Å; A944-F946 PolarHBondContact O-N 3.09Å; F946-S948 PolarHBondContact O-N 3.35Å
947	P	69.8	Low	69	Low	65 Å²	65	70.7 Å²	70.7	42%	0.422	38%	0.376	S	S	.	.			trans	-71.5	120.8	177.7	-15.8	31.1	0	0	0	112.1	T949	P947-T949 PolarHBondContact O-N 3.14Å
948	S	57.9	Low	67.2	Low	71 Å²	71	74.6 Å²	74.6	50%	0.497	40%	0.4	S	S	.	.			trans	-59.2	134.3	172.6	-51.2	0	0	0	0	111.4	F946	F946-S948 PolarHBondContact O-N 3.35Å
949	T	52.1	Low	65.5	Low	48 Å²	48	78.3 Å²	78.3	29%	0.294	42%	0.419	S	S	.	.	S	Bend	trans	-94.1	-24.3	-173.6	44.5	0	0	0	0	113.7	Q897 Q899 P947 K951	Q897-T949 HydrophobicContact CB-CG2 3.85Å; Q897-T949 VanDerWaalsContact CD-CG2 3.46Å; Q897-T949 HydrophobicContact CG-CG2 3.52Å; Q899-T949 PolarHBondContact NE2-OG1 3.06Å; Q899-T949 VanDerWaalsContact NE2-OG1 3.09Å; P947-T949 PolarHBondContact O-N 3.14Å; T949-K951 VanDerWaalsContact C-N 3.28Å; T949-K951 PolarHBondContact O-N 3.03Å
950	T	49.9	Very low	63.7	Low	86 Å²	86	80.5 Å²	80.5	53%	0.528	43%	0.426	S	S	.	.			trans	-72.5	76.5	173.7	36.6	0	0	0	0	110.7	E952	T950-E952 PolarHBondContact O-N 3.49Å; T950-E952 VanDerWaalsContact O-N 3.14Å
951	K	48.3	Very low	62.1	Low	174 Å²	174	84.4 Å²	84.4	76%	0.757	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	12.5	177.2	-75.7	-165.2	172.8	-170.9	0	114.9	T949 V954	T949-K951 VanDerWaalsContact C-N 3.28Å; T949-K951 PolarHBondContact O-N 3.03Å; K951-V954 VanDerWaalsContact C-CG2 3.49Å; K951-V954 VanDerWaalsContact CA-CG2 3.49Å; K951-V954 HydrophobicContact CB-CG2 4.39Å
952	E	46.4	Very low	60.2	Low	189 Å²	189	90.3 Å²	90.3	88%	0.883	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-9.6	-179.4	-61.2	-176.7	157.3	0	0	112.1	T950	T950-E952 PolarHBondContact O-N 3.49Å; T950-E952 VanDerWaalsContact O-N 3.14Å
953	D	41.4	Very low	58.2	Low	107 Å²	107	100.5 Å²	100.5	57%	0.572	52%	0.515	S	S	*	.			trans	-117.3	26.6	177.3	-53.6	-68	0	0	0	112.7	D955 E956	D953-D955 PolarHBondContact O-N 3.13Å; D953-E956 PolarHBondContact O-N 3.04Å
954	V	46	Very low	56.8	Low	110 Å²	110	103.6 Å²	103.6	67%	0.667	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	22.6	-169	-151.4	0	0	0	0	114.6	K951	K951-V954 VanDerWaalsContact C-CG2 3.49Å; K951-V954 VanDerWaalsContact CA-CG2 3.49Å; K951-V954 HydrophobicContact CB-CG2 4.39Å
955	D	44.9	Very low	56.1	Low	163 Å²	163	102.4 Å²	102.4	87%	0.872	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-18.7	160.4	-68.9	-41.3	0	0	0	111.3	D953	D953-D955 PolarHBondContact O-N 3.13Å
956	E	50.5	Low	55.9	Low	171 Å²	171	102 Å²	102	80%	0.799	52%	0.518	S	S	*	.	S	Bend	trans	-98.2	107.2	177.7	-69	-157.7	-176.3	0	0	113.2	D953	D953-E956 PolarHBondContact O-N 3.04Å
957	E	53	Low	55.9	Low	101 Å²	101	101.8 Å²	101.8	47%	0.472	52%	0.517	S	S	.	.	S	Bend	trans	155.9	-9.1	146.8	-89	-155.7	139.4	0	0	111	I959 R994	E957-I959 PolarHBondContact O-N 3.43Å; E957-R994 VanDerWaalsContact CD-NH1 3.34Å; E957-R994 WeakPolarHBondContact O-CG 3.26Å; E957-R994 PolarHBondContact O-NE 2.85Å; E957-R994 IonicContact OE1-NH1 2.71Å; E957-R994 IonicContact OE2-CZ 3.17Å; E957-R994 IonicContact OE2-NH1 3.82Å; E957-R994 PolarHBondContact OE2-NH1 2.84Å; E957-R994 IonicContact OE2-NH2 3.89Å; E957-R994 PolarHBondContact OE2-NH2 2.96Å
958	V	49.6	Very low	56.8	Low	84 Å²	84	98.7 Å²	98.7	51%	0.509	50%	0.497	S	S	.	.			trans	-77.1	95.7	156	171.4	0	0	0	0	105.7	Y960 I993	V958-Y960 WeakPolarHBondContact CG1-O 3.49Å; V958-Y960 PolarHBondContact O-N 2.83Å; V958-Y960 VanDerWaalsContact O-N 3.12Å; V958-I993 HydrophobicContact CG1-CG2 4.3Å; V958-I993 HydrophobicContact CG2-CG2 4.22Å
959	I	54.5	Low	58.2	Low	91 Å²	91	98.9 Å²	98.9	47%	0.467	49%	0.49	S	S	.	.	S	Bend	trans	-63.7	-22.3	-171.9	-54.7	-174.7	0	0	0	111.3	E957 I993 R994	E957-I959 PolarHBondContact O-N 3.43Å; I959-I993 PolarHBondContact N-O 3.37Å; I959-R994 HydrophobicContact CD1-CB 4.29Å
960	Y	54.4	Low	59.9	Low	68 Å²	68	96.6 Å²	96.6	27%	0.267	48%	0.476	S	S	.	.	S	Bend	trans	-141.9	124.7	180	-47.6	-83.7	0	0	0	109.5	V958 P966	V958-Y960 WeakPolarHBondContact CG1-O 3.49Å; V958-Y960 PolarHBondContact O-N 2.83Å; V958-Y960 VanDerWaalsContact O-N 3.12Å; Y960-P966 VanDerWaalsContact CD1-CD 3.49Å; Y960-P966 HydrophobicContact CD1-CG 3.83Å; Y960-P966 HydrophobicContact CD2-CG 3.97Å; Y960-P966 HydrophobicContact CE1-CG 3.59Å; Y960-P966 HydrophobicContact CE2-CG 3.75Å; Y960-P966 HydrophobicContact CG-CG 4Å
961	E	52.2	Low	61.6	Low	145 Å²	145	95.7 Å²	95.7	68%	0.678	47%	0.47	S	S	*	.			trans	-54.2	155.6	174.3	-65	-175.3	-170.7	0	0	111.9	W963 D964 C965	E961-W963 PolarHBondContact O-N 3.2Å; E961-D964 CarbonylContact O-C 3.55Å; E961-D964 PolarHBondContact O-N 3.5Å; E961-C965 PolarHBondContact O-N 3.23Å
962	D	51.7	Low	63.2	Low	135 Å²	135	93.4 Å²	93.4	72%	0.722	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-25.6	179.2	-85.1	-32.8	0	0	0	113.8	C965	D962-C965 PolarHBondContact O-SG 3.46Å
963	W	50.7	Low	65	Low	214 Å²	214	87.4 Å²	87.4	81%	0.811	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-21.6	179.8	-59.6	107.8	0	0	0	115.4	E961	E961-W963 PolarHBondContact O-N 3.2Å
964	D	59.7	Low	67.4	Low	97 Å²	97	83.7 Å²	83.7	52%	0.519	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	18.4	178.2	-163.6	27.6	0	0	0	114.2	E961 P966 R1028	E961-D964 CarbonylContact O-C 3.55Å; E961-D964 PolarHBondContact O-N 3.5Å; D964-P966 WeakPolarHBondContact O-CD 3.16Å; D964-R1028 PolarHBondContact O-NH2 2.87Å; D964-R1028 IonicContact OD1-CZ 2.81Å; D964-R1028 VanDerWaalsContact OD1-CZ 3.24Å; D964-R1028 IonicContact OD1-NH1 2.63Å; D964-R1028 PolarHBondContact OD1-NH1 3.47Å; D964-R1028 IonicContact OD1-NH2 2.72Å; D964-R1028 PolarHBondContact OD1-NH2 3.25Å
965	C	70.9	Confident	69.3	Low	7 Å²	7	81.6 Å²	81.6	5%	0.047	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-51.8	124	166.5	53.4	0	0	0	0	112.2	E961 D962 N991 V992 R1028	E961-C965 PolarHBondContact O-N 3.23Å; D962-C965 PolarHBondContact O-SG 3.46Å; C965-N991 HydrophobicContact CB-CB 4.27Å; C965-N991 PolarHBondContact SG-ND2 2.89Å; C965-V992 WeakPolarHBondContact CB-O 3.17Å; C965-R1028 VanDerWaalsContact C-NH2 3.33Å; C965-R1028 PolarHBondContact O-NH2 3.33Å
966	P	83.1	Confident	71.3	Confident	10 Å²	10	74.9 Å²	74.9	7%	0.065	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-58.3	142.8	173.6	-25.2	33.6	0	0	0	109.9	Y960 D964 V992 E1021	Y960-P966 VanDerWaalsContact CD1-CD 3.49Å; Y960-P966 HydrophobicContact CD1-CG 3.83Å; Y960-P966 HydrophobicContact CD2-CG 3.97Å; Y960-P966 HydrophobicContact CE1-CG 3.59Å; Y960-P966 HydrophobicContact CE2-CG 3.75Å; Y960-P966 HydrophobicContact CG-CG 4Å; D964-P966 WeakPolarHBondContact O-CD 3.16Å; P966-V992 PolarHBondContact O-N 3.47Å; P966-E1021 HydrophobicContact CB-CG 4.45Å
967	Q	86.8	Confident	72.9	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	136.7	174.6	-68.5	-172.4	-12.5	0	0	109.5	I989 V990 N991 I1022 R1028 N1031	Q967-I989 HydrophobicContact CB-CG2 4.11Å; Q967-V990 WeakPolarHBondContact CA-O 3.4Å; Q967-N991 WeakPolarHBondContact CG-OD1 3.24Å; Q967-N991 PolarHBondContact NE2-OD1 3.31Å; Q967-I1022 HydrophobicContact CB-CB 4.19Å; Q967-I1022 HydrophobicContact CB-CD1 4.08Å; Q967-I1022 HydrophobicContact CB-CG1 4.35Å; Q967-I1022 PolarHBondContact O-N 2.98Å; Q967-R1028 HydrophobicContact CB-CG 4.31Å; Q967-R1028 HydrophobicContact CG-CG 4.42Å; Q967-N1031 VanDerWaalsContact OE1-CB 3.28Å; Q967-N1031 PolarHBondContact OE1-ND2 3.11Å
968	V	88.9	Confident	74.4	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.006	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.3	172.4	-61.1	0	0	0	0	109.2	I989 V990 V992 Y1001 F1014 V1019 I1020 E1021	V968-I989 WeakPolarHBondContact O-CA 3.4Å; V968-V990 HydrophobicContact CG2-CB 3.93Å; V968-V990 PolarHBondContact N-O 2.94Å; V968-V990 PolarHBondContact O-N 2.93Å; V968-V992 HydrophobicContact CB-CG2 4.33Å; V968-V992 HydrophobicContact CG1-CG2 3.64Å; V968-V992 HydrophobicContact CG2-CG2 3.76Å; V968-Y1001 HydrophobicContact CG1-CD2 4.35Å; V968-Y1001 HydrophobicContact CG1-CE2 4.25Å; V968-F1014 HydrophobicContact CG2-CE2 3.83Å; V968-F1014 HydrophobicContact CG2-CZ 3.93Å; V968-V1019 HydrophobicContact CB-CB 3.93Å; V968-V1019 HydrophobicContact CB-CG2 3.87Å; V968-V1019 HydrophobicContact CG1-CG2 4.19Å; V968-V1019 HydrophobicContact CG2-CB 4.04Å; V968-V1019 HydrophobicContact CG2-CG1 4.21Å; V968-V1019 HydrophobicContact CG2-CG2 3.98Å; V968-I1020 CarbonylContact C-O 3.56Å; V968-I1020 VanDerWaalsContact CA-O 3.28Å; V968-I1020 WeakPolarHBondContact CA-O 3.45Å; V968-E1021 HydrophobicContact CG1-CB 4.26Å; V968-E1021 HydrophobicContact CG1-CG 4.36Å
969	Q	87.7	Confident	75.9	Confident	74 Å²	74	69.2 Å²	69.2	35%	0.346	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.5	172.8	-170	171.1	32	0	0	109.3	V971 T987 E988 V1019 I1020 I1022	Q969-V971 PolarHBondContact O-N 3.46Å; Q969-T987 PolarHBondContact NE2-O 3.33Å; Q969-E988 CarbonylContact C-O 3.58Å; Q969-E988 WeakPolarHBondContact CA-O 3.49Å; Q969-V1019 CarbonylContact O-C 3.45Å; Q969-V1019 VanDerWaalsContact O-CA 3.22Å; Q969-V1019 WeakPolarHBondContact O-CA 3.01Å; Q969-I1020 PolarHBondContact N-O 3.4Å; Q969-I1020 PolarHBondContact O-N 3.12Å; Q969-I1022 HydrophobicContact CB-CD1 4.15Å; Q969-I1022 HydrophobicContact CB-CG1 4.18Å
970	C	86.4	Confident	77.5	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	129.1	170.6	178.5	0	0	0	0	110.3	E972 L984 E985 T987 E988 N1018 V1019	C970-E972 PolarHBondContact SG-O 2.94Å; C970-L984 HydrophobicContact CB-CB 3.97Å; C970-L984 HydrophobicContact CB-CD1 4.31Å; C970-E985 WeakPolarHBondContact CB-O 3.38Å; C970-E985 PolarHBondContact SG-O 2.86Å; C970-T987 PolarHBondContact O-N 2.83Å; C970-E988 PolarHBondContact N-O 3.3Å; C970-N1018 WeakPolarHBondContact CA-O 3.49Å; C970-V1019 HydrophobicContact CB-CG1 4.48Å
971	V	86.6	Confident	79.3	Confident	67 Å²	67	63.3 Å²	63.3	41%	0.406	31%	0.312	S	S	.	.			trans	-111.2	-29.2	177.2	-68.6	0	0	0	0	112.4	Q969 N1018 I1020	Q969-V971 PolarHBondContact O-N 3.46Å; V971-N1018 PolarHBondContact N-O 3.21Å; V971-I1020 HydrophobicContact CG1-CB 4.34Å; V971-I1020 HydrophobicContact CG1-CD1 3.83Å; V971-I1020 HydrophobicContact CG1-CG1 3.85Å; V971-I1020 HydrophobicContact CG2-CD1 4.23Å; V971-I1020 HydrophobicContact CG2-CG1 3.95Å
972	E	80.9	Confident	81	Confident	125 Å²	125	56.6 Å²	56.6	58%	0.584	28%	0.281	S	S	*	.	S	Bend	trans	-129.1	128.3	177.3	-65.4	-169.4	176.5	0	0	110	C970 Y974 N1018	C970-E972 PolarHBondContact SG-O 2.94Å; E972-Y974 PolarHBondContact O-N 2.71Å; E972-N1018 PolarHBondContact N-O 3.37Å; E972-N1018 WeakPolarHBondContact O-CB 3.39Å; E972-N1018 PolarHBondContact O-ND2 2.93Å
973	Q	85.6	Confident	82.7	Confident	63 Å²	63	53.3 Å²	53.3	29%	0.294	26%	0.263	S	S	.	.			trans	-54.4	130.2	-174.4	-168.3	-176.2	22	0	0	111.1	L984 E985 P986 N1018	Q973-L984 CarbonylContact C-O 3.5Å; Q973-L984 WeakPolarHBondContact CA-O 3.05Å; Q973-E985 VanDerWaalsContact NE2-CD 3.33Å; Q973-E985 PolarHBondContact NE2-OE1 2.94Å; Q973-E985 PolarHBondContact NE2-OE2 3.35Å; Q973-E985 VanDerWaalsContact NE2-OE2 3.16Å; Q973-P986 HydrophobicContact CB-CG 4.14Å; Q973-N1018 PolarHBondContact O-ND2 2.8Å
974	Y	90.3	Very high	84.4	Confident	29 Å²	29	43.1 Å²	43.1	11%	0.114	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-119.1	121	177.2	-177.4	-106.1	0	0	0	110.5	E972 E981 L982 N983 L984 W1000 F1014 P1015	E972-Y974 PolarHBondContact O-N 2.71Å; Y974-E981 HydrophobicContact CE1-CB 4.42Å; Y974-E981 PolarHBondContact OH-OE2 3.1Å; Y974-E981 VanDerWaalsContact OH-OE2 3.14Å; Y974-L982 WeakPolarHBondContact CD1-O 3.43Å; Y974-N983 CarbonylContact O-C 3.2Å; Y974-N983 VanDerWaalsContact O-CA 3.31Å; Y974-N983 WeakPolarHBondContact O-CA 3.44Å; Y974-L984 PolarHBondContact N-O 2.79Å; Y974-L984 PolarHBondContact O-N 2.99Å; Y974-W1000 WeakPolarHBondContact OH-CH2 3.4Å; Y974-F1014 HydrophobicContact CD1-CB 4.33Å; Y974-P1015 HydrophobicContact CD2-CG 3.64Å; Y974-P1015 HydrophobicContact CE2-CG 3.63Å; Y974-P1015 HydrophobicContact CG-CG 4.16Å
975	I	86.6	Confident	85.4	Confident	66 Å²	66	43 Å²	43	34%	0.338	22%	0.221	S	C	.	.			trans	-98.2	123.2	174.4	-58.9	176.4	0	0	0	107.7	V179 Q977	V179-I975 HydrophobicContact CG2-CD1 4.03Å; I975-Q977 PolarHBondContact O-N 2.89Å; I975-Q977 PolarHBondContact O-NE2 2.63Å
976	A	87.8	Confident	85.7	Confident	23 Å²	23	45.3 Å²	45.3	19%	0.19	24%	0.236	C	C	.	.			trans	-63.2	129.3	179.7	0	0	0	0	0	111	E981 N983	A976-E981 HydrophobicContact CB-CB 3.73Å; A976-E981 WeakPolarHBondContact CB-O 3.44Å; A976-N983 PolarHBondContact N-OD1 3.47Å
977	Q	84.5	Confident	85.3	Confident	140 Å²	140	49.8 Å²	49.8	65%	0.654	26%	0.263	S	S	*	.	S	Bend	trans	-95.3	-26.9	178.3	-53.7	-59.3	-57.9	0	0	111.2	I975 E981	I975-Q977 PolarHBondContact O-N 2.89Å; I975-Q977 PolarHBondContact O-NE2 2.63Å; Q977-E981 WeakPolarHBondContact CA-OE2 3.41Å; Q977-E981 WeakPolarHBondContact CB-OE2 3.5Å; Q977-E981 PolarHBondContact N-OE2 3.21Å
978	Q	84	Confident	85.1	Confident	56 Å²	56	51.7 Å²	51.7	26%	0.262	27%	0.272	S	S	.	.	S	Bend	trans	-118.6	162.9	176.8	-50.9	-167.4	9.1	0	0	111.9	D980 E981	Q978-D980 VanDerWaalsContact C-N 3.29Å; Q978-D980 WeakPolarHBondContact CB-OD1 3.38Å; Q978-D980 PolarHBondContact O-N 3.29Å; Q978-D980 PolarHBondContact OE1-OD1 3.11Å; Q978-E981 HydrophobicContact CB-CG 4.07Å; Q978-E981 PolarHBondContact N-OE2 3.12Å; Q978-E981 WeakPolarHBondContact O-CB 3.4Å; Q978-E981 PolarHBondContact O-N 2.92Å
979	A	81.4	Confident	85	Confident	40 Å²	40	53.3 Å²	53.3	33%	0.331	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.1	-176.8	0	0	0	0	0	113.7	L840 E841 E981	L840-A979 HydrophobicContact CB-CB 4.29Å; L840-A979 HydrophobicContact CD2-CB 3.81Å; L840-A979 HydrophobicContact CG-CB 4.04Å; E841-A979 CarbonylContact O-C 3.52Å; E841-A979 WeakPolarHBondContact O-CB 3.18Å; A979-E981 VanDerWaalsContact C-N 3.29Å
980	D	87.5	Confident	85.1	Confident	20 Å²	20	49.8 Å²	49.8	11%	0.107	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4.7	171.6	54.4	-54.1	0	0	0	112.7	E841 K842 R941 Q978 G1012 W1013	E841-D980 WeakPolarHBondContact O-CA 3.27Å; E841-D980 PolarHBondContact O-N 2.78Å; K842-D980 HydrophobicContact CB-CB 4.47Å; K842-D980 HydrophobicContact CD-CB 4.42Å; K842-D980 WeakPolarHBondContact CG-OD1 3.4Å; K842-D980 VanDerWaalsContact NZ-CG 3.35Å; K842-D980 IonicContact NZ-OD1 2.71Å; K842-D980 PolarHBondContact NZ-OD1 3.27Å; K842-D980 IonicContact NZ-OD2 3.85Å; K842-D980 PolarHBondContact NZ-OD2 2.84Å; R941-D980 WeakPolarHBondContact CD-OD2 3.28Å; Q978-D980 VanDerWaalsContact C-N 3.29Å; Q978-D980 WeakPolarHBondContact CB-OD1 3.38Å; Q978-D980 PolarHBondContact O-N 3.29Å; Q978-D980 PolarHBondContact OE1-OD1 3.11Å; D980-G1012 WeakPolarHBondContact O-CA 3.39Å; D980-W1013 PolarHBondContact O-N 2.8Å
981	E	91.4	Very high	85.2	Confident	16 Å²	16	50.2 Å²	50.2	8%	0.075	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-96.8	145.3	-175.8	-65.9	170.6	173.1	0	0	113	R941 Y974 A976 Q977 Q978 A979 W1000 W1013	R941-E981 IonicContact NH1-OE1 2.88Å; R941-E981 PolarHBondContact NH1-OE1 2.88Å; Y974-E981 HydrophobicContact CE1-CB 4.42Å; Y974-E981 PolarHBondContact OH-OE2 3.1Å; Y974-E981 VanDerWaalsContact OH-OE2 3.14Å; A976-E981 HydrophobicContact CB-CB 3.73Å; A976-E981 WeakPolarHBondContact CB-O 3.44Å; Q977-E981 WeakPolarHBondContact CA-OE2 3.41Å; Q977-E981 WeakPolarHBondContact CB-OE2 3.5Å; Q977-E981 PolarHBondContact N-OE2 3.21Å; Q978-E981 HydrophobicContact CB-CG 4.07Å; Q978-E981 PolarHBondContact N-OE2 3.12Å; Q978-E981 WeakPolarHBondContact O-CB 3.4Å; Q978-E981 PolarHBondContact O-N 2.92Å; A979-E981 VanDerWaalsContact C-N 3.29Å; E981-W1000 HydrophobicContact CG-CH2 4.48Å; E981-W1000 HydrophobicContact CG-CZ3 3.94Å; E981-W1000 WeakPolarHBondContact OE1-CH2 3.43Å; E981-W1000 WeakPolarHBondContact OE1-CZ3 3.34Å; E981-W1013 CarbonylContact C-O 3.57Å; E981-W1013 WeakPolarHBondContact CA-O 3.39Å; E981-W1013 WeakPolarHBondContact CB-O 3.46Å; E981-W1013 HydrophobicContact CG-CB 4.46Å
982	L	89.3	Confident	85.3	Confident	4 Å²	4	47 Å²	47	2%	0.021	25%	0.247	C	C	.	.			trans	-100.9	110.9	-173.7	-169.7	66.1	0	0	0	109.9	Y974 L984 V990 R1005 Q1010 W1013 F1014	Y974-L982 WeakPolarHBondContact CD1-O 3.43Å; L982-L984 HydrophobicContact CD2-CD2 3.91Å; L982-L984 HydrophobicContact CG-CD2 3.98Å; L982-L984 PolarHBondContact O-N 2.75Å; L982-V990 HydrophobicContact CD2-CG1 4.22Å; L982-R1005 VanDerWaalsContact CD1-NH2 3.26Å; L982-R1005 HydrophobicContact CD2-CB 4.44Å; L982-Q1010 HydrophobicContact CD1-CB 3.85Å; L982-W1013 PolarHBondContact N-O 3Å; L982-F1014 HydrophobicContact CB-CD1 4.26Å; L982-F1014 HydrophobicContact CD2-CD1 4.04Å; L982-F1014 HydrophobicContact CD2-CE1 4.3Å
983	N	87.7	Confident	85.5	Confident	65 Å²	65	42.4 Å²	42.4	35%	0.348	23%	0.226	S	C	.	.			trans	-59.3	128.7	171	-63.2	-85.6	0	0	0	109.6	Y974 A976 R1005	Y974-N983 CarbonylContact O-C 3.2Å; Y974-N983 VanDerWaalsContact O-CA 3.31Å; Y974-N983 WeakPolarHBondContact O-CA 3.44Å; A976-N983 PolarHBondContact N-OD1 3.47Å; N983-R1005 PolarHBondContact O-NH1 2.79Å; N983-R1005 PolarHBondContact O-NH2 3.28Å
984	L	86.3	Confident	85.3	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-122.1	131.6	178.2	-60.7	-179.7	0	0	0	111.6	C970 Q973 Y974 L982 E988 V990 F1014 V1019	C970-L984 HydrophobicContact CB-CB 3.97Å; C970-L984 HydrophobicContact CB-CD1 4.31Å; Q973-L984 CarbonylContact C-O 3.5Å; Q973-L984 WeakPolarHBondContact CA-O 3.05Å; Y974-L984 PolarHBondContact N-O 2.79Å; Y974-L984 PolarHBondContact O-N 2.99Å; L982-L984 HydrophobicContact CD2-CD2 3.91Å; L982-L984 HydrophobicContact CG-CD2 3.98Å; L982-L984 PolarHBondContact O-N 2.75Å; L984-E988 WeakPolarHBondContact CA-OE2 3.29Å; L984-V990 HydrophobicContact CD1-CG2 4.44Å; L984-V990 HydrophobicContact CD2-CG2 3.64Å; L984-F1014 HydrophobicContact CD1-CB 3.89Å; L984-F1014 HydrophobicContact CD1-CD1 4.4Å; L984-F1014 HydrophobicContact CD1-CD2 3.74Å; L984-F1014 HydrophobicContact CD1-CE2 4.38Å; L984-F1014 HydrophobicContact CD1-CG 3.74Å; L984-F1014 HydrophobicContact CG-CB 4.48Å; L984-V1019 HydrophobicContact CD1-CG1 3.74Å
985	E	79	Confident	85	Confident	94 Å²	94	42.8 Å²	42.8	44%	0.439	23%	0.226	S	C	.	.			trans	-97.5	145.5	169.3	-69	-62.9	151.5	0	0	111.1	C970 Q973 T987 E988	C970-E985 WeakPolarHBondContact CB-O 3.38Å; C970-E985 PolarHBondContact SG-O 2.86Å; Q973-E985 VanDerWaalsContact NE2-CD 3.33Å; Q973-E985 PolarHBondContact NE2-OE1 2.94Å; Q973-E985 PolarHBondContact NE2-OE2 3.35Å; Q973-E985 VanDerWaalsContact NE2-OE2 3.16Å; E985-T987 PolarHBondContact O-N 2.96Å; E985-E988 HydrophobicContact CB-CG 4.05Å; E985-E988 PolarHBondContact N-OE2 3.25Å; E985-E988 VanDerWaalsContact O-CB 3.29Å; E985-E988 WeakPolarHBondContact O-CB 3.29Å; E985-E988 WeakPolarHBondContact O-CG 3.41Å; E985-E988 PolarHBondContact O-N 2.71Å
986	P	77.7	Confident	84.8	Confident	56 Å²	56	40.4 Å²	40.4	36%	0.364	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	141.7	176.8	-26.5	35.4	0	0	0	112.1	Q973 E988	Q973-P986 HydrophobicContact CB-CG 4.14Å; P986-E988 VanDerWaalsContact C-N 3.3Å; P986-E988 PolarHBondContact O-N 2.68Å
987	T	75.2	Confident	84.3	Confident	104 Å²	104	44.2 Å²	44.2	64%	0.638	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	-10.8	-170.5	74.6	0	0	0	0	117.1	Q969 C970 E985	Q969-T987 PolarHBondContact NE2-O 3.33Å; C970-T987 PolarHBondContact O-N 2.83Å; E985-T987 PolarHBondContact O-N 2.96Å
988	E	82.9	Confident	84.1	Confident	40 Å²	40	41 Å²	41	19%	0.187	22%	0.217	C	C	.	.			trans	-63.4	145.3	174.3	-71.5	-170.6	125.5	0	0	112.3	Q969 C970 L984 E985 P986 R1005	Q969-E988 CarbonylContact C-O 3.58Å; Q969-E988 WeakPolarHBondContact CA-O 3.49Å; C970-E988 PolarHBondContact N-O 3.3Å; L984-E988 WeakPolarHBondContact CA-OE2 3.29Å; E985-E988 HydrophobicContact CB-CG 4.05Å; E985-E988 PolarHBondContact N-OE2 3.25Å; E985-E988 VanDerWaalsContact O-CB 3.29Å; E985-E988 WeakPolarHBondContact O-CB 3.29Å; E985-E988 WeakPolarHBondContact O-CG 3.41Å; E985-E988 PolarHBondContact O-N 2.71Å; P986-E988 VanDerWaalsContact C-N 3.3Å; P986-E988 PolarHBondContact O-N 2.68Å; E988-R1005 WeakPolarHBondContact OE1-CD 3.39Å; E988-R1005 IonicContact OE1-CZ 2.72Å; E988-R1005 IonicContact OE1-NE 3.19Å; E988-R1005 IonicContact OE1-NH1 2.67Å; E988-R1005 PolarHBondContact OE1-NH1 3.37Å; E988-R1005 IonicContact OE2-CZ 3.82Å; E988-R1005 IonicContact OE2-NH1 3.39Å; E988-R1005 PolarHBondContact OE2-NH1 2.73Å
989	I	86	Confident	84.2	Confident	35 Å²	35	39 Å²	39	18%	0.179	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.7	-178.2	-45.8	-175.9	0	0	0	109.4	Q967 V968 L1006 I1022 N1031	Q967-I989 HydrophobicContact CB-CG2 4.11Å; V968-I989 WeakPolarHBondContact O-CA 3.4Å; I989-L1006 VanDerWaalsContact C-CD1 3.49Å; I989-L1006 HydrophobicContact CB-CD1 4.11Å; I989-L1006 HydrophobicContact CG2-CD1 3.87Å; I989-L1006 VanDerWaalsContact O-CD1 3.22Å; I989-L1006 WeakPolarHBondContact O-CD1 3.4Å; I989-L1006 PolarHBondContact O-N 3.4Å; I989-I1022 HydrophobicContact CD1-CD1 4.12Å; I989-I1022 HydrophobicContact CG1-CD1 4.41Å; I989-I1022 HydrophobicContact CG2-CD1 3.66Å; I989-N1031 WeakPolarHBondContact CD1-ND2 3.44Å
990	V	89.1	Confident	84.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.3	-178.2	-169	0	0	0	0	109.9	Q967 V968 L982 L984 F1014	Q967-V990 WeakPolarHBondContact CA-O 3.4Å; V968-V990 HydrophobicContact CG2-CB 3.93Å; V968-V990 PolarHBondContact N-O 2.94Å; V968-V990 PolarHBondContact O-N 2.93Å; L982-V990 HydrophobicContact CD2-CG1 4.22Å; L984-V990 HydrophobicContact CD1-CG2 4.44Å; L984-V990 HydrophobicContact CD2-CG2 3.64Å; V990-F1014 HydrophobicContact CB-CE1 4.44Å; V990-F1014 HydrophobicContact CB-CZ 4.16Å; V990-F1014 HydrophobicContact CG1-CE1 3.65Å; V990-F1014 HydrophobicContact CG1-CZ 3.76Å
991	N	89.4	Confident	84.9	Confident	10 Å²	10	40.2 Å²	40.2	5%	0.053	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.8	166.6	-82.4	5.9	0	0	0	107.9	C965 Q967 G1003 V1004 L1006 R1035	C965-N991 HydrophobicContact CB-CB 4.27Å; C965-N991 PolarHBondContact SG-ND2 2.89Å; Q967-N991 WeakPolarHBondContact CG-OD1 3.24Å; Q967-N991 PolarHBondContact NE2-OD1 3.31Å; N991-G1003 CarbonylContact O-C 3.57Å; N991-G1003 WeakPolarHBondContact O-CA 3.39Å; N991-V1004 PolarHBondContact N-O 3.17Å; N991-V1004 PolarHBondContact O-N 2.85Å; N991-L1006 HydrophobicContact CB-CD1 4.36Å; N991-L1006 WeakPolarHBondContact OD1-CD1 2.97Å; N991-R1035 PolarHBondContact ND2-NH1 2.87Å
992	V	88.3	Confident	84.8	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.9	177.6	-178.8	0	0	0	0	110.2	C965 P966 V968 R994 K995 Y1001 F1014	C965-V992 WeakPolarHBondContact CB-O 3.17Å; P966-V992 PolarHBondContact O-N 3.47Å; V968-V992 HydrophobicContact CB-CG2 4.33Å; V968-V992 HydrophobicContact CG1-CG2 3.64Å; V968-V992 HydrophobicContact CG2-CG2 3.76Å; V992-R994 WeakPolarHBondContact CG1-O 3.36Å; V992-K995 HydrophobicContact CG1-CD 4.46Å; V992-K995 HydrophobicContact CG1-CG 3.73Å; V992-Y1001 HydrophobicContact CG1-CG 4.41Å; V992-Y1001 HydrophobicContact CG2-CD2 4.14Å; V992-F1014 HydrophobicContact CG2-CZ 4.4Å
993	I	84.8	Confident	84.8	Confident	28 Å²	28	39.8 Å²	39.8	14%	0.144	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-41.2	175.1	-55.7	170.6	0	0	0	110.1	V958 I959 E1002 V1004 K1011	V958-I993 HydrophobicContact CG1-CG2 4.3Å; V958-I993 HydrophobicContact CG2-CG2 4.22Å; I959-I993 PolarHBondContact N-O 3.37Å; I993-E1002 PolarHBondContact N-O 3.35Å; I993-V1004 HydrophobicContact CD1-CG2 3.69Å; I993-K1011 HydrophobicContact CD1-CD 4.39Å; I993-K1011 HydrophobicContact CD1-CG 4.39Å
994	R	82.4	Confident	84.8	Confident	43 Å²	43	37.8 Å²	37.8	16%	0.162	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.1	-174.8	-51.3	-173.8	171.2	-164.4	-5	111.2	E957 I959 V992 Y1001 E1002 W1013	E957-R994 VanDerWaalsContact CD-NH1 3.34Å; E957-R994 WeakPolarHBondContact O-CG 3.26Å; E957-R994 PolarHBondContact O-NE 2.85Å; E957-R994 IonicContact OE1-NH1 2.71Å; E957-R994 IonicContact OE2-CZ 3.17Å; E957-R994 IonicContact OE2-NH1 3.82Å; E957-R994 PolarHBondContact OE2-NH1 2.84Å; E957-R994 IonicContact OE2-NH2 3.89Å; E957-R994 PolarHBondContact OE2-NH2 2.96Å; I959-R994 HydrophobicContact CD1-CB 4.29Å; V992-R994 WeakPolarHBondContact CG1-O 3.36Å; R994-Y1001 CarbonylContact O-C 3.51Å; R994-Y1001 WeakPolarHBondContact O-CA 3.37Å; R994-E1002 HydrophobicContact CB-CB 3.89Å; R994-E1002 WeakPolarHBondContact CD-OE2 3.46Å; R994-E1002 HydrophobicContact CG-CB 4.34Å; R994-E1002 PolarHBondContact N-O 3.03Å; R994-E1002 VanDerWaalsContact N-O 3.17Å; R994-E1002 IonicContact NE-OE2 3.86Å; R994-E1002 PolarHBondContact O-N 2.7Å; R994-W1013 HydrophobicContact CB-CH2 4.29Å
995	K	84.8	Confident	84.9	Confident	58 Å²	58	38.5 Å²	38.5	25%	0.252	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.9	172.1	-60.1	-171.6	174.7	-175.6	0	109.2	V992 Y1001 E1021	V992-K995 HydrophobicContact CG1-CD 4.46Å; V992-K995 HydrophobicContact CG1-CG 3.73Å; K995-Y1001 HydrophobicContact CB-CD1 3.8Å; K995-Y1001 HydrophobicContact CB-CE1 3.97Å; K995-Y1001 HydrophobicContact CD-CD1 4.05Å; K995-Y1001 HydrophobicContact CD-CE1 3.69Å; K995-Y1001 HydrophobicContact CD-CE2 4.42Å; K995-Y1001 HydrophobicContact CG-CD1 3.56Å; K995-Y1001 HydrophobicContact CG-CE1 3.74Å; K995-Y1001 HydrophobicContact CG-CG 4.07Å; K995-E1021 IonicContact NZ-OE2 2.92Å; K995-E1021 PolarHBondContact NZ-OE2 3.48Å
996	T	82.1	Confident	85	Confident	15 Å²	15	35.1 Å²	35.1	9%	0.092	18%	0.182	C	C	.	.			trans	-88.9	163.3	170.6	64.5	0	0	0	0	111	Q940 E998 W1000 W1013	Q940-T996 HydrophobicContact CB-CG2 4.47Å; T996-E998 PolarHBondContact O-N 3.24Å; T996-E998 PolarHBondContact OG1-N 3.02Å; T996-W1000 HydrophobicContact CG2-CB 4.34Å; T996-W1000 PolarHBondContact N-O 2.73Å; T996-W1000 WeakPolarHBondContact OG1-CA 3.37Å; T996-W1000 WeakPolarHBondContact OG1-CB 3.38Å; T996-W1000 PolarHBondContact OG1-N 2.91Å; T996-W1000 PolarHBondContact OG1-O 3.04Å; T996-W1013 HydrophobicContact CG2-CH2 4.14Å; T996-W1013 HydrophobicContact CG2-CZ3 3.69Å
997	N	76.1	Confident	84.6	Confident	104 Å²	104	36.7 Å²	36.7	56%	0.556	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	7.3	174.1	72.8	-102.6	0	0	0	114.4	K936	K936-N997 WeakPolarHBondContact CD-OD1 3.31Å; K936-N997 VanDerWaalsContact CE-OD1 3.31Å; K936-N997 WeakPolarHBondContact CE-OD1 3.27Å; K936-N997 PolarHBondContact NZ-OD1 2.85Å
998	E	81.3	Confident	84.4	Confident	73 Å²	73	35.8 Å²	35.8	34%	0.341	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	21.5	178.9	-61.8	-174.7	165.4	0	0	112.2	T935 K936 S937 T996	T935-E998 VanDerWaalsContact CB-OE2 3.27Å; T935-E998 WeakPolarHBondContact CB-OE2 3.26Å; T935-E998 PolarHBondContact OG1-OE2 3.17Å; K936-E998 WeakPolarHBondContact CA-OE1 3.47Å; K936-E998 HydrophobicContact CB-CG 4.45Å; K936-E998 WeakPolarHBondContact CB-OE1 3.2Å; K936-E998 PolarHBondContact N-OE1 2.9Å; K936-E998 PolarHBondContact N-OE2 2.81Å; S937-E998 WeakPolarHBondContact CA-OE2 3.36Å; S937-E998 WeakPolarHBondContact CB-OE2 3.4Å; S937-E998 PolarHBondContact N-OE2 2.81Å; S937-E998 PolarHBondContact OG-OE2 2.82Å; T996-E998 PolarHBondContact O-N 3.24Å; T996-E998 PolarHBondContact OG1-N 3.02Å
999	G	86.3	Confident	84.2	Confident	14 Å²	14	35.6 Å²	35.6	14%	0.144	19%	0.194	C	C	.	.	S	Bend	trans	75.6	27.5	176.9	0	0	0	0	0	114.9	P1015 D1016	G999-P1015 CarbonylContact O-C 3.6Å; G999-P1015 WeakPolarHBondContact O-CA 3.04Å; G999-D1016 VanDerWaalsContact CA-CG 3.42Å; G999-D1016 WeakPolarHBondContact CA-OD1 3.49Å; G999-D1016 WeakPolarHBondContact CA-OD2 3.08Å; G999-D1016 PolarHBondContact O-N 3.36Å
1000	W	91	Very high	84	Confident	47 Å²	47	39.1 Å²	39.1	18%	0.178	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.7	170.7	-70.8	77.8	0	0	0	111.2	Y974 E981 T996 W1013	Y974-W1000 WeakPolarHBondContact OH-CH2 3.4Å; E981-W1000 HydrophobicContact CG-CH2 4.48Å; E981-W1000 HydrophobicContact CG-CZ3 3.94Å; E981-W1000 WeakPolarHBondContact OE1-CH2 3.43Å; E981-W1000 WeakPolarHBondContact OE1-CZ3 3.34Å; T996-W1000 HydrophobicContact CG2-CB 4.34Å; T996-W1000 PolarHBondContact N-O 2.73Å; T996-W1000 WeakPolarHBondContact OG1-CA 3.37Å; T996-W1000 WeakPolarHBondContact OG1-CB 3.38Å; T996-W1000 PolarHBondContact OG1-N 2.91Å; T996-W1000 PolarHBondContact OG1-O 3.04Å; W1000-W1013 HydrophobicContact CB-CE3 4.35Å; W1000-W1013 HydrophobicContact CE3-CB 4.36Å
1001	Y	91.2	Very high	83.9	Confident	38 Å²	38	44.4 Å²	44.4	15%	0.149	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.9	176.7	-61.9	-7.8	0	0	0	110.1	V968 V992 R994 K995 W1013 F1014 D1016 V1019	V968-Y1001 HydrophobicContact CG1-CD2 4.35Å; V968-Y1001 HydrophobicContact CG1-CE2 4.25Å; V992-Y1001 HydrophobicContact CG1-CG 4.41Å; V992-Y1001 HydrophobicContact CG2-CD2 4.14Å; R994-Y1001 CarbonylContact O-C 3.51Å; R994-Y1001 WeakPolarHBondContact O-CA 3.37Å; K995-Y1001 HydrophobicContact CB-CD1 3.8Å; K995-Y1001 HydrophobicContact CB-CE1 3.97Å; K995-Y1001 HydrophobicContact CD-CD1 4.05Å; K995-Y1001 HydrophobicContact CD-CE1 3.69Å; K995-Y1001 HydrophobicContact CD-CE2 4.42Å; K995-Y1001 HydrophobicContact CG-CD1 3.56Å; K995-Y1001 HydrophobicContact CG-CE1 3.74Å; K995-Y1001 HydrophobicContact CG-CG 4.07Å; Y1001-W1013 VanDerWaalsContact C-CE3 3.5Å; Y1001-W1013 CarbonylContact O-C 3.57Å; Y1001-W1013 VanDerWaalsContact O-CA 3.31Å; Y1001-W1013 WeakPolarHBondContact O-CA 3.23Å; Y1001-F1014 HydrophobicContact CD2-CE2 4.03Å; Y1001-F1014 HydrophobicContact CD2-CZ 4.5Å; Y1001-F1014 HydrophobicContact CG-CE2 4.35Å; Y1001-F1014 PolarHBondContact N-O 2.85Å; Y1001-F1014 PolarHBondContact O-N 2.87Å; Y1001-D1016 HydrophobicContact CD1-CB 4.16Å; Y1001-D1016 HydrophobicContact CD2-CB 4.23Å; Y1001-D1016 HydrophobicContact CE1-CB 3.61Å; Y1001-D1016 HydrophobicContact CE2-CB 3.72Å; Y1001-D1016 HydrophobicContact CG-CB 4.43Å; Y1001-V1019 HydrophobicContact CD2-CG2 4.24Å; Y1001-V1019 HydrophobicContact CE2-CG2 4.21Å
1002	E	90.4	Very high	83.9	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.3	166.4	-159.9	-172.4	-142.2	0	0	108.5	I993 R994 K1011 W1013	I993-E1002 PolarHBondContact N-O 3.35Å; R994-E1002 HydrophobicContact CB-CB 3.89Å; R994-E1002 WeakPolarHBondContact CD-OE2 3.46Å; R994-E1002 HydrophobicContact CG-CB 4.34Å; R994-E1002 PolarHBondContact N-O 3.03Å; R994-E1002 VanDerWaalsContact N-O 3.17Å; R994-E1002 IonicContact NE-OE2 3.86Å; R994-E1002 PolarHBondContact O-N 2.7Å; E1002-K1011 WeakPolarHBondContact OE1-CE 3.04Å; E1002-K1011 IonicContact OE1-NZ 3.59Å; E1002-K1011 PolarHBondContact OE1-NZ 3.42Å; E1002-K1011 WeakPolarHBondContact OE2-CE 3.28Å; E1002-K1011 IonicContact OE2-NZ 2.74Å; E1002-K1011 PolarHBondContact OE2-NZ 2.76Å; E1002-W1013 HydrophobicContact CB-CD2 3.76Å; E1002-W1013 HydrophobicContact CB-CE3 3.7Å; E1002-W1013 HydrophobicContact CB-CH2 3.74Å; E1002-W1013 HydrophobicContact CB-CZ2 3.77Å; E1002-W1013 HydrophobicContact CB-CZ3 3.67Å; E1002-W1013 HydrophobicContact CG-CD2 3.89Å; E1002-W1013 HydrophobicContact CG-CE3 4.36Å; E1002-W1013 HydrophobicContact CG-CG 4.29Å; E1002-W1013 HydrophobicContact CG-CH2 4.4Å; E1002-W1013 HydrophobicContact CG-CZ2 3.92Å; E1002-W1013 PolarHBondContact OE1-NE1 2.82Å
1003	G	89.1	Confident	84.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	174.9	-179.4	0	0	0	0	0	114.8	N991 K1011 G1012	N991-G1003 CarbonylContact O-C 3.57Å; N991-G1003 WeakPolarHBondContact O-CA 3.39Å; G1003-K1011 VanDerWaalsContact O-CA 3.28Å; G1003-K1011 WeakPolarHBondContact O-CA 3.47Å; G1003-G1012 PolarHBondContact N-O 2.87Å; G1003-G1012 PolarHBondContact O-N 3.42Å
1004	V	87.9	Confident	84.6	Confident	24 Å²	24	43.5 Å²	43.5	15%	0.145	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.7	178.5	174	0	0	0	0	109.7	N991 I993 L1006 Q1010 K1011	N991-V1004 PolarHBondContact N-O 3.17Å; N991-V1004 PolarHBondContact O-N 2.85Å; I993-V1004 HydrophobicContact CD1-CG2 3.69Å; V1004-L1006 PolarHBondContact O-N 2.91Å; V1004-Q1010 WeakPolarHBondContact CA-O 3.18Å; V1004-K1011 HydrophobicContact CG2-CB 3.94Å; V1004-K1011 HydrophobicContact CG2-CG 3.84Å
1005	R	88.1	Confident	85.1	Confident	15 Å²	15	42 Å²	42	6%	0.057	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	130.4	176.2	-162.6	-154.3	-51.7	-93.3	-14	109.8	L982 N983 E988 S1007 D1008 G1009 Q1010	L982-R1005 VanDerWaalsContact CD1-NH2 3.26Å; L982-R1005 HydrophobicContact CD2-CB 4.44Å; N983-R1005 PolarHBondContact O-NH1 2.79Å; N983-R1005 PolarHBondContact O-NH2 3.28Å; E988-R1005 WeakPolarHBondContact OE1-CD 3.39Å; E988-R1005 IonicContact OE1-CZ 2.72Å; E988-R1005 IonicContact OE1-NE 3.19Å; E988-R1005 IonicContact OE1-NH1 2.67Å; E988-R1005 PolarHBondContact OE1-NH1 3.37Å; E988-R1005 IonicContact OE2-CZ 3.82Å; E988-R1005 IonicContact OE2-NH1 3.39Å; E988-R1005 PolarHBondContact OE2-NH1 2.73Å; R1005-S1007 VanDerWaalsContact C-N 3.35Å; R1005-S1007 WeakPolarHBondContact CD-OG 3.37Å; R1005-S1007 WeakPolarHBondContact CG-OG 3.46Å; R1005-S1007 PolarHBondContact O-N 2.64Å; R1005-D1008 WeakPolarHBondContact CD-OD1 3.4Å; R1005-D1008 IonicContact NE-OD1 2.71Å; R1005-D1008 PolarHBondContact NE-OD1 3.21Å; R1005-D1008 IonicContact NE-OD2 3.29Å; R1005-D1008 PolarHBondContact NE-OD2 3.26Å; R1005-G1009 VanDerWaalsContact O-CA 3.28Å; R1005-G1009 WeakPolarHBondContact O-CA 3.35Å; R1005-G1009 PolarHBondContact O-N 3.32Å; R1005-Q1010 PolarHBondContact N-O 2.86Å
1006	L	80.5	Confident	85.4	Confident	24 Å²	24	42 Å²	42	13%	0.126	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-27.2	-175	-79.9	80.5	0	0	0	113.6	I989 N991 V1004 N1031	I989-L1006 VanDerWaalsContact C-CD1 3.49Å; I989-L1006 HydrophobicContact CB-CD1 4.11Å; I989-L1006 HydrophobicContact CG2-CD1 3.87Å; I989-L1006 VanDerWaalsContact O-CD1 3.22Å; I989-L1006 WeakPolarHBondContact O-CD1 3.4Å; I989-L1006 PolarHBondContact O-N 3.4Å; N991-L1006 HydrophobicContact CB-CD1 4.36Å; N991-L1006 WeakPolarHBondContact OD1-CD1 2.97Å; V1004-L1006 PolarHBondContact O-N 2.91Å; L1006-N1031 HydrophobicContact CD2-CB 3.91Å
1007	S	70	Confident	85.9	Confident	88 Å²	88	46.2 Å²	46.2	62%	0.615	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-34.2	-173.2	45.1	0	0	0	0	113.9	R1005	R1005-S1007 VanDerWaalsContact C-N 3.35Å; R1005-S1007 WeakPolarHBondContact CD-OG 3.37Å; R1005-S1007 WeakPolarHBondContact CG-OG 3.46Å; R1005-S1007 PolarHBondContact O-N 2.64Å
1008	D	71.6	Confident	86.6	Confident	85 Å²	85	42.3 Å²	42.3	46%	0.455	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-13.1	-178	64.8	9	0	0	0	114.9	R1005 Q1010	R1005-D1008 WeakPolarHBondContact CD-OD1 3.4Å; R1005-D1008 IonicContact NE-OD1 2.71Å; R1005-D1008 PolarHBondContact NE-OD1 3.21Å; R1005-D1008 IonicContact NE-OD2 3.29Å; R1005-D1008 PolarHBondContact NE-OD2 3.26Å; D1008-Q1010 WeakPolarHBondContact OD1-CB 3.43Å; D1008-Q1010 PolarHBondContact OD1-N 2.93Å; D1008-Q1010 WeakPolarHBondContact OD2-CG 3.31Å; D1008-Q1010 PolarHBondContact OD2-NE2 3.12Å
1009	G	78.7	Confident	87	Confident	37 Å²	37	39.5 Å²	39.5	38%	0.381	22%	0.22	S	C	.	.			trans	80.4	11.6	-176.7	0	0	0	0	0	115.2	R1005 K1011	R1005-G1009 VanDerWaalsContact O-CA 3.28Å; R1005-G1009 WeakPolarHBondContact O-CA 3.35Å; R1005-G1009 PolarHBondContact O-N 3.32Å; G1009-K1011 PolarHBondContact O-N 2.89Å
1010	Q	80.9	Confident	87.1	Confident	108 Å²	108	44 Å²	44	51%	0.505	24%	0.239	S	C	.	.			trans	-65.7	132.2	173.3	-73.5	-170.4	75.3	0	0	111	L982 V1004 R1005 D1008	L982-Q1010 HydrophobicContact CD1-CB 3.85Å; V1004-Q1010 WeakPolarHBondContact CA-O 3.18Å; R1005-Q1010 PolarHBondContact N-O 2.86Å; D1008-Q1010 WeakPolarHBondContact OD1-CB 3.43Å; D1008-Q1010 PolarHBondContact OD1-N 2.93Å; D1008-Q1010 WeakPolarHBondContact OD2-CG 3.31Å; D1008-Q1010 PolarHBondContact OD2-NE2 3.12Å
1011	K	87.6	Confident	87	Confident	112 Å²	112	45.6 Å²	45.6	49%	0.487	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	142.5	173.2	-164.5	-164.3	-170.4	-147.3	0	110.1	I993 E1002 G1003 V1004 G1009	I993-K1011 HydrophobicContact CD1-CD 4.39Å; I993-K1011 HydrophobicContact CD1-CG 4.39Å; E1002-K1011 WeakPolarHBondContact OE1-CE 3.04Å; E1002-K1011 IonicContact OE1-NZ 3.59Å; E1002-K1011 PolarHBondContact OE1-NZ 3.42Å; E1002-K1011 WeakPolarHBondContact OE2-CE 3.28Å; E1002-K1011 IonicContact OE2-NZ 2.74Å; E1002-K1011 PolarHBondContact OE2-NZ 2.76Å; G1003-K1011 VanDerWaalsContact O-CA 3.28Å; G1003-K1011 WeakPolarHBondContact O-CA 3.47Å; V1004-K1011 HydrophobicContact CG2-CB 3.94Å; V1004-K1011 HydrophobicContact CG2-CG 3.84Å; G1009-K1011 PolarHBondContact O-N 2.89Å
1012	G	89.9	Confident	86.7	Confident	6 Å²	6	44.8 Å²	44.8	6%	0.062	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	-176.6	166.4	0	0	0	0	0	113.2	D980 G1003	D980-G1012 WeakPolarHBondContact O-CA 3.39Å; G1003-G1012 PolarHBondContact N-O 2.87Å; G1003-G1012 PolarHBondContact O-N 3.42Å
1013	W	92.6	Very high	86.3	Confident	13 Å²	13	50.4 Å²	50.4	5%	0.049	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	144	-179.7	-67.6	89.8	0	0	0	112.7	R941 A944 D980 E981 L982 R994 T996 W1000 Y1001 E1002	R941-W1013 HydrophobicContact CG-CD2 3.65Å; R941-W1013 HydrophobicContact CG-CE3 4.16Å; R941-W1013 HydrophobicContact CG-CG 3.88Å; R941-W1013 HydrophobicContact CG-CZ2 4.15Å; A944-W1013 HydrophobicContact CB-CZ2 4.04Å; D980-W1013 PolarHBondContact O-N 2.8Å; E981-W1013 CarbonylContact C-O 3.57Å; E981-W1013 WeakPolarHBondContact CA-O 3.39Å; E981-W1013 WeakPolarHBondContact CB-O 3.46Å; E981-W1013 HydrophobicContact CG-CB 4.46Å; L982-W1013 PolarHBondContact N-O 3Å; R994-W1013 HydrophobicContact CB-CH2 4.29Å; T996-W1013 HydrophobicContact CG2-CH2 4.14Å; T996-W1013 HydrophobicContact CG2-CZ3 3.69Å; W1000-W1013 HydrophobicContact CB-CE3 4.35Å; W1000-W1013 HydrophobicContact CE3-CB 4.36Å; Y1001-W1013 VanDerWaalsContact C-CE3 3.5Å; Y1001-W1013 CarbonylContact O-C 3.57Å; Y1001-W1013 VanDerWaalsContact O-CA 3.31Å; Y1001-W1013 WeakPolarHBondContact O-CA 3.23Å; E1002-W1013 HydrophobicContact CB-CD2 3.76Å; E1002-W1013 HydrophobicContact CB-CE3 3.7Å; E1002-W1013 HydrophobicContact CB-CH2 3.74Å; E1002-W1013 HydrophobicContact CB-CZ2 3.77Å; E1002-W1013 HydrophobicContact CB-CZ3 3.67Å; E1002-W1013 HydrophobicContact CG-CD2 3.89Å; E1002-W1013 HydrophobicContact CG-CE3 4.36Å; E1002-W1013 HydrophobicContact CG-CG 4.29Å; E1002-W1013 HydrophobicContact CG-CH2 4.4Å; E1002-W1013 HydrophobicContact CG-CZ2 3.92Å; E1002-W1013 PolarHBondContact OE1-NE1 2.82Å
1014	F	93.9	Very high	85.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	154	177.8	54	-85.1	0	0	0	110.4	V968 Y974 L982 L984 V990 V992 Y1001 V1019	V968-F1014 HydrophobicContact CG2-CE2 3.83Å; V968-F1014 HydrophobicContact CG2-CZ 3.93Å; Y974-F1014 HydrophobicContact CD1-CB 4.33Å; L982-F1014 HydrophobicContact CB-CD1 4.26Å; L982-F1014 HydrophobicContact CD2-CD1 4.04Å; L982-F1014 HydrophobicContact CD2-CE1 4.3Å; L984-F1014 HydrophobicContact CD1-CB 3.89Å; L984-F1014 HydrophobicContact CD1-CD1 4.4Å; L984-F1014 HydrophobicContact CD1-CD2 3.74Å; L984-F1014 HydrophobicContact CD1-CE2 4.38Å; L984-F1014 HydrophobicContact CD1-CG 3.74Å; L984-F1014 HydrophobicContact CG-CB 4.48Å; V990-F1014 HydrophobicContact CB-CE1 4.44Å; V990-F1014 HydrophobicContact CB-CZ 4.16Å; V990-F1014 HydrophobicContact CG1-CE1 3.65Å; V990-F1014 HydrophobicContact CG1-CZ 3.76Å; V992-F1014 HydrophobicContact CG2-CZ 4.4Å; Y1001-F1014 HydrophobicContact CD2-CE2 4.03Å; Y1001-F1014 HydrophobicContact CD2-CZ 4.5Å; Y1001-F1014 HydrophobicContact CG-CE2 4.35Å; Y1001-F1014 PolarHBondContact N-O 2.85Å; Y1001-F1014 PolarHBondContact O-N 2.87Å; F1014-V1019 HydrophobicContact CD2-CG1 3.88Å; F1014-V1019 HydrophobicContact CD2-CG2 4.49Å; F1014-V1019 HydrophobicContact CE2-CG1 3.88Å; F1014-V1019 HydrophobicContact CE2-CG2 4.1Å
1015	P	92.9	Very high	85	Confident	12 Å²	12	57.5 Å²	57.5	8%	0.078	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	147.6	178.1	32	-36.7	0	0	0	111.7	Y974 G999 T1017 N1018	Y974-P1015 HydrophobicContact CD2-CG 3.64Å; Y974-P1015 HydrophobicContact CE2-CG 3.63Å; Y974-P1015 HydrophobicContact CG-CG 4.16Å; G999-P1015 CarbonylContact O-C 3.6Å; G999-P1015 WeakPolarHBondContact O-CA 3.04Å; P1015-T1017 VanDerWaalsContact C-N 3.3Å; P1015-T1017 PolarHBondContact O-N 2.71Å; P1015-N1018 HydrophobicContact CG-CB 4.32Å; P1015-N1018 WeakPolarHBondContact CG-OD1 3.49Å
1016	D	91.4	Very high	84	Confident	57 Å²	57	63.5 Å²	63.5	31%	0.305	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-70.6	-27.3	178.3	69.9	-11.3	0	0	0	112.7	G999 Y1001 N1018 V1019	G999-D1016 VanDerWaalsContact CA-CG 3.42Å; G999-D1016 WeakPolarHBondContact CA-OD1 3.49Å; G999-D1016 WeakPolarHBondContact CA-OD2 3.08Å; G999-D1016 PolarHBondContact O-N 3.36Å; Y1001-D1016 HydrophobicContact CD1-CB 4.16Å; Y1001-D1016 HydrophobicContact CD2-CB 4.23Å; Y1001-D1016 HydrophobicContact CE1-CB 3.61Å; Y1001-D1016 HydrophobicContact CE2-CB 3.72Å; Y1001-D1016 HydrophobicContact CG-CB 4.43Å; D1016-N1018 PolarHBondContact O-N 2.88Å; D1016-V1019 WeakPolarHBondContact O-CG2 3.31Å; D1016-V1019 PolarHBondContact O-N 3.49Å; D1016-V1019 VanDerWaalsContact O-N 3.13Å; D1016-V1019 VanDerWaalsContact O-O 3.09Å
1017	T	91.8	Very high	83.5	Confident	104 Å²	104	65 Å²	65	64%	0.638	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-54.1	-26.4	175.4	53.5	0	0	0	0	114.5	P1015	P1015-T1017 VanDerWaalsContact C-N 3.3Å; P1015-T1017 PolarHBondContact O-N 2.71Å
1018	N	90.8	Very high	83.8	Confident	22 Å²	22	63 Å²	63	12%	0.118	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-95.5	-1.2	-174.5	-75.1	74.3	0	0	0	113.6	C970 V971 E972 Q973 P1015 D1016	C970-N1018 WeakPolarHBondContact CA-O 3.49Å; V971-N1018 PolarHBondContact N-O 3.21Å; E972-N1018 PolarHBondContact N-O 3.37Å; E972-N1018 WeakPolarHBondContact O-CB 3.39Å; E972-N1018 PolarHBondContact O-ND2 2.93Å; Q973-N1018 PolarHBondContact O-ND2 2.8Å; P1015-N1018 HydrophobicContact CG-CB 4.32Å; P1015-N1018 WeakPolarHBondContact CG-OD1 3.49Å; D1016-N1018 PolarHBondContact O-N 2.88Å
1019	V	90.4	Very high	83.6	Confident	14 Å²	14	65.4 Å²	65.4	9%	0.085	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	159	-173.1	-54.2	0	0	0	0	112.6	V968 Q969 C970 L984 Y1001 F1014 D1016	V968-V1019 HydrophobicContact CB-CB 3.93Å; V968-V1019 HydrophobicContact CB-CG2 3.87Å; V968-V1019 HydrophobicContact CG1-CG2 4.19Å; V968-V1019 HydrophobicContact CG2-CB 4.04Å; V968-V1019 HydrophobicContact CG2-CG1 4.21Å; V968-V1019 HydrophobicContact CG2-CG2 3.98Å; Q969-V1019 CarbonylContact O-C 3.45Å; Q969-V1019 VanDerWaalsContact O-CA 3.22Å; Q969-V1019 WeakPolarHBondContact O-CA 3.01Å; C970-V1019 HydrophobicContact CB-CG1 4.48Å; L984-V1019 HydrophobicContact CD1-CG1 3.74Å; Y1001-V1019 HydrophobicContact CD2-CG2 4.24Å; Y1001-V1019 HydrophobicContact CE2-CG2 4.21Å; F1014-V1019 HydrophobicContact CD2-CG1 3.88Å; F1014-V1019 HydrophobicContact CD2-CG2 4.49Å; F1014-V1019 HydrophobicContact CE2-CG1 3.88Å; F1014-V1019 HydrophobicContact CE2-CG2 4.1Å; D1016-V1019 WeakPolarHBondContact O-CG2 3.31Å; D1016-V1019 PolarHBondContact O-N 3.49Å; D1016-V1019 VanDerWaalsContact O-N 3.13Å; D1016-V1019 VanDerWaalsContact O-O 3.09Å
1020	I	87.9	Confident	83.2	Confident	107 Å²	107	72.3 Å²	72.3	55%	0.549	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.2	171.5	-59	-175.2	0	0	0	109.3	V968 Q969 V971	V968-I1020 CarbonylContact C-O 3.56Å; V968-I1020 VanDerWaalsContact CA-O 3.28Å; V968-I1020 WeakPolarHBondContact CA-O 3.45Å; Q969-I1020 PolarHBondContact N-O 3.4Å; Q969-I1020 PolarHBondContact O-N 3.12Å; V971-I1020 HydrophobicContact CG1-CB 4.34Å; V971-I1020 HydrophobicContact CG1-CD1 3.83Å; V971-I1020 HydrophobicContact CG1-CG1 3.85Å; V971-I1020 HydrophobicContact CG2-CD1 4.23Å; V971-I1020 HydrophobicContact CG2-CG1 3.95Å
1021	E	88.3	Confident	82.9	Confident	82 Å²	82	68.2 Å²	68.2	38%	0.383	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.2	-179.5	-164.8	163	127.2	0	0	112.5	P966 V968 K995 T1023	P966-E1021 HydrophobicContact CB-CG 4.45Å; V968-E1021 HydrophobicContact CG1-CB 4.26Å; V968-E1021 HydrophobicContact CG1-CG 4.36Å; K995-E1021 IonicContact NZ-OE2 2.92Å; K995-E1021 PolarHBondContact NZ-OE2 3.48Å; E1021-T1023 VanDerWaalsContact C-N 3.34Å; E1021-T1023 PolarHBondContact O-N 2.9Å
1022	I	84.9	Confident	82	Confident	21 Å²	21	65.3 Å²	65.3	11%	0.108	32%	0.324	C	S	.	.			trans	-79.4	84.2	175.8	-53.2	-177.5	0	0	0	108.1	Q967 Q969 I989 N1024 V1027 R1028	Q967-I1022 HydrophobicContact CB-CB 4.19Å; Q967-I1022 HydrophobicContact CB-CD1 4.08Å; Q967-I1022 HydrophobicContact CB-CG1 4.35Å; Q967-I1022 PolarHBondContact O-N 2.98Å; Q969-I1022 HydrophobicContact CB-CD1 4.15Å; Q969-I1022 HydrophobicContact CB-CG1 4.18Å; I989-I1022 HydrophobicContact CD1-CD1 4.12Å; I989-I1022 HydrophobicContact CG1-CD1 4.41Å; I989-I1022 HydrophobicContact CG2-CD1 3.66Å; I1022-N1024 PolarHBondContact O-N 2.87Å; I1022-V1027 HydrophobicContact CG2-CB 3.86Å; I1022-V1027 HydrophobicContact CG2-CG1 3.64Å; I1022-R1028 HydrophobicContact CG2-CG 4.3Å; I1022-R1028 WeakPolarHBondContact O-CD 3.43Å; I1022-R1028 WeakPolarHBondContact O-CG 3.47Å
1023	T	82.2	Confident	81	Confident	127 Å²	127	72.8 Å²	72.8	78%	0.779	36%	0.355	S	S	*	.			trans	-66.8	-23.4	178.3	57.3	0	0	0	0	113.4	E1021 E1025	E1021-T1023 VanDerWaalsContact C-N 3.34Å; E1021-T1023 PolarHBondContact O-N 2.9Å; T1023-E1025 PolarHBondContact O-N 2.7Å
1024	N	80.1	Confident	79.6	Confident	82 Å²	82	77.8 Å²	77.8	44%	0.439	38%	0.379	S	S	.	.			trans	-72.9	108.5	-179.1	-172.9	-47.6	0	0	0	111.4	I1022 H1026 V1027 R1028	I1022-N1024 PolarHBondContact O-N 2.87Å; N1024-H1026 VanDerWaalsContact C-N 3.33Å; N1024-H1026 PolarHBondContact O-N 2.97Å; N1024-H1026 WeakPolarHBondContact OD1-CB 3.49Å; N1024-H1026 PolarHBondContact OD1-N 3.23Å; N1024-V1027 HydrophobicContact CB-CB 4.14Å; N1024-V1027 HydrophobicContact CB-CG2 3.9Å; N1024-V1027 WeakPolarHBondContact O-CB 3.34Å; N1024-V1027 PolarHBondContact O-N 3.2Å; N1024-V1027 VanDerWaalsContact O-N 3.09Å; N1024-V1027 PolarHBondContact OD1-N 3.12Å; N1024-V1027 VanDerWaalsContact OD1-N 3.14Å; N1024-R1028 PolarHBondContact O-N 2.85Å
1025	E	69.5	Low	78.3	Confident	91 Å²	91	82.2 Å²	82.2	43%	0.425	40%	0.396	S	S	.	.	H	α-helix	trans	-62.9	-33.9	-176.5	-160.3	-159.1	-152	0	0	113.5	T1023 V1027 R1028 R1029	T1023-E1025 PolarHBondContact O-N 2.7Å; E1025-V1027 VanDerWaalsContact C-N 3.33Å; E1025-R1028 PolarHBondContact O-N 2.89Å; E1025-R1029 VanDerWaalsContact CD-NH1 3.31Å; E1025-R1029 WeakPolarHBondContact O-CB 3.49Å; E1025-R1029 WeakPolarHBondContact O-CG 3.49Å; E1025-R1029 PolarHBondContact O-N 2.88Å; E1025-R1029 IonicContact OE1-CZ 3.71Å; E1025-R1029 IonicContact OE1-NH1 2.87Å; E1025-R1029 IonicContact OE1-NH2 2.76Å; E1025-R1029 PolarHBondContact OE1-NH2 3.37Å; E1025-R1029 IonicContact OE2-CZ 3.98Å; E1025-R1029 IonicContact OE2-NH1 3.8Å; E1025-R1029 PolarHBondContact OE2-NH1 2.89Å; E1025-R1029 IonicContact OE2-NH2 2.66Å; E1025-R1029 PolarHBondContact OE2-NH2 3.17Å
1026	H	67.1	Low	76.8	Confident	141 Å²	141	88.5 Å²	88.5	65%	0.653	42%	0.419	S	S	*	.	H	α-helix	trans	-67.1	-36	174.7	-64.3	-67.7	0	0	0	111.6	N1024 R1030	N1024-H1026 VanDerWaalsContact C-N 3.33Å; N1024-H1026 PolarHBondContact O-N 2.97Å; N1024-H1026 WeakPolarHBondContact OD1-CB 3.49Å; N1024-H1026 PolarHBondContact OD1-N 3.23Å; H1026-R1030 VanDerWaalsContact O-CB 3.31Å; H1026-R1030 WeakPolarHBondContact O-CB 3.27Å; H1026-R1030 PolarHBondContact O-N 2.81Å
1027	V	70.6	Confident	75.6	Confident	56 Å²	56	95.6 Å²	95.6	34%	0.339	44%	0.441	S	S	.	.	H	α-helix	trans	-67.9	-46	172.8	-179.2	0	0	0	0	110.3	I1022 N1024 E1025 R1029 R1030 N1031	I1022-V1027 HydrophobicContact CG2-CB 3.86Å; I1022-V1027 HydrophobicContact CG2-CG1 3.64Å; N1024-V1027 HydrophobicContact CB-CB 4.14Å; N1024-V1027 HydrophobicContact CB-CG2 3.9Å; N1024-V1027 WeakPolarHBondContact O-CB 3.34Å; N1024-V1027 PolarHBondContact O-N 3.2Å; N1024-V1027 VanDerWaalsContact O-N 3.09Å; N1024-V1027 PolarHBondContact OD1-N 3.12Å; N1024-V1027 VanDerWaalsContact OD1-N 3.14Å; E1025-V1027 VanDerWaalsContact C-N 3.33Å; V1027-R1029 PolarHBondContact O-N 3.42Å; V1027-R1030 WeakPolarHBondContact O-CB 3.08Å; V1027-R1030 PolarHBondContact O-N 2.57Å; V1027-R1030 VanDerWaalsContact O-N 3.13Å; V1027-N1031 PolarHBondContact O-N 3.45Å; V1027-N1031 PolarHBondContact O-ND2 2.86Å; V1027-N1031 PolarHBondContact O-OD1 3.41Å
1028	R	76.5	Confident	73.8	Confident	47 Å²	47	95 Å²	95	18%	0.177	44%	0.437	C	S	.	.	H	α-helix	trans	-52	-52.6	173.1	-70.1	179.5	67.4	-150.3	-0.3	111.5	D964 C965 Q967 I1022 N1024 E1025 R1030 N1031 V1032	D964-R1028 PolarHBondContact O-NH2 2.87Å; D964-R1028 IonicContact OD1-CZ 2.81Å; D964-R1028 VanDerWaalsContact OD1-CZ 3.24Å; D964-R1028 IonicContact OD1-NH1 2.63Å; D964-R1028 PolarHBondContact OD1-NH1 3.47Å; D964-R1028 IonicContact OD1-NH2 2.72Å; D964-R1028 PolarHBondContact OD1-NH2 3.25Å; C965-R1028 VanDerWaalsContact C-NH2 3.33Å; C965-R1028 PolarHBondContact O-NH2 3.33Å; Q967-R1028 HydrophobicContact CB-CG 4.31Å; Q967-R1028 HydrophobicContact CG-CG 4.42Å; I1022-R1028 HydrophobicContact CG2-CG 4.3Å; I1022-R1028 WeakPolarHBondContact O-CD 3.43Å; I1022-R1028 WeakPolarHBondContact O-CG 3.47Å; N1024-R1028 PolarHBondContact O-N 2.85Å; E1025-R1028 PolarHBondContact O-N 2.89Å; R1028-R1030 PolarHBondContact O-N 2.8Å; R1028-N1031 PolarHBondContact O-N 3.28Å; R1028-V1032 WeakPolarHBondContact O-CG2 3.37Å; R1028-V1032 PolarHBondContact O-N 3.49Å
1029	R	68.2	Low	71.9	Confident	135 Å²	135	96.8 Å²	96.8	51%	0.509	45%	0.452	S	S	.	.	H	α-helix	trans	-61.9	-38.1	177.8	-72.7	-177.6	-177.3	130.7	2.3	113	E1025 V1027 K1033	E1025-R1029 VanDerWaalsContact CD-NH1 3.31Å; E1025-R1029 WeakPolarHBondContact O-CB 3.49Å; E1025-R1029 WeakPolarHBondContact O-CG 3.49Å; E1025-R1029 PolarHBondContact O-N 2.88Å; E1025-R1029 IonicContact OE1-CZ 3.71Å; E1025-R1029 IonicContact OE1-NH1 2.87Å; E1025-R1029 IonicContact OE1-NH2 2.76Å; E1025-R1029 PolarHBondContact OE1-NH2 3.37Å; E1025-R1029 IonicContact OE2-CZ 3.98Å; E1025-R1029 IonicContact OE2-NH1 3.8Å; E1025-R1029 PolarHBondContact OE2-NH1 2.89Å; E1025-R1029 IonicContact OE2-NH2 2.66Å; E1025-R1029 PolarHBondContact OE2-NH2 3.17Å; V1027-R1029 PolarHBondContact O-N 3.42Å; R1029-K1033 VanDerWaalsContact O-CB 3.25Å; R1029-K1033 WeakPolarHBondContact O-CB 3.33Å; R1029-K1033 PolarHBondContact O-N 2.82Å
1030	R	70.1	Confident	70.1	Confident	181 Å²	181	99.3 Å²	99.3	68%	0.683	46%	0.463	S	S	*	.	H	α-helix	trans	-60.8	-50.1	176.1	-169	-175	-159.5	118.1	-0.3	110.9	H1026 V1027 R1028 V1032 K1033 E1034	H1026-R1030 VanDerWaalsContact O-CB 3.31Å; H1026-R1030 WeakPolarHBondContact O-CB 3.27Å; H1026-R1030 PolarHBondContact O-N 2.81Å; V1027-R1030 WeakPolarHBondContact O-CB 3.08Å; V1027-R1030 PolarHBondContact O-N 2.57Å; V1027-R1030 VanDerWaalsContact O-N 3.13Å; R1028-R1030 PolarHBondContact O-N 2.8Å; R1030-V1032 PolarHBondContact O-N 3.34Å; R1030-K1033 PolarHBondContact O-N 3.09Å; R1030-E1034 WeakPolarHBondContact O-CB 3.46Å; R1030-E1034 PolarHBondContact O-N 2.93Å
1031	N	75.2	Confident	68.3	Low	22 Å²	22	96.9 Å²	96.9	12%	0.118	46%	0.459	C	S	.	.	H	α-helix	trans	-60.8	-43.9	-179.9	-61.5	-18.9	0	0	0	111.8	Q967 I989 L1006 V1027 R1028 E1034 R1035	Q967-N1031 VanDerWaalsContact OE1-CB 3.28Å; Q967-N1031 PolarHBondContact OE1-ND2 3.11Å; I989-N1031 WeakPolarHBondContact CD1-ND2 3.44Å; L1006-N1031 HydrophobicContact CD2-CB 3.91Å; V1027-N1031 PolarHBondContact O-N 3.45Å; V1027-N1031 PolarHBondContact O-ND2 2.86Å; V1027-N1031 PolarHBondContact O-OD1 3.41Å; R1028-N1031 PolarHBondContact O-N 3.28Å; N1031-E1034 PolarHBondContact O-N 3.1Å; N1031-R1035 WeakPolarHBondContact O-CB 3.26Å; N1031-R1035 PolarHBondContact O-N 3.46Å
1032	V	68.3	Low	66.4	Low	52 Å²	52	96.1 Å²	96.1	32%	0.315	46%	0.46	S	S	.	.	H	α-helix	trans	-64.4	-45.1	175.3	175.5	0	0	0	0	111.3	R1028 R1030 E1034 R1035 Y1036	R1028-V1032 WeakPolarHBondContact O-CG2 3.37Å; R1028-V1032 PolarHBondContact O-N 3.49Å; R1030-V1032 PolarHBondContact O-N 3.34Å; V1032-E1034 VanDerWaalsContact C-N 3.31Å; V1032-E1034 PolarHBondContact O-N 2.63Å; V1032-R1035 PolarHBondContact O-N 2.84Å; V1032-Y1036 WeakPolarHBondContact O-CB 3.18Å; V1032-Y1036 PolarHBondContact O-N 2.99Å
1033	K	67.6	Low	64.4	Low	163 Å²	163	100.1 Å²	100.1	71%	0.709	48%	0.479	S	S	*	.	H	α-helix	trans	-63.8	-36.1	178.5	-173	173.5	-177.1	175.8	0	112.2	R1029 R1030 R1037	R1029-K1033 VanDerWaalsContact O-CB 3.25Å; R1029-K1033 WeakPolarHBondContact O-CB 3.33Å; R1029-K1033 PolarHBondContact O-N 2.82Å; R1030-K1033 PolarHBondContact O-N 3.09Å; K1033-R1037 WeakPolarHBondContact O-CB 3.37Å; K1033-R1037 PolarHBondContact O-N 2.94Å
1034	E	64.6	Low	62.7	Low	118 Å²	118	100.4 Å²	100.4	55%	0.551	47%	0.473	S	S	*	.	H	α-helix	trans	-70.8	-46.9	176	-172.6	146.4	-150.7	0	0	111.6	R1030 N1031 V1032 Y1036 R1037 V1038	R1030-E1034 WeakPolarHBondContact O-CB 3.46Å; R1030-E1034 PolarHBondContact O-N 2.93Å; N1031-E1034 PolarHBondContact O-N 3.1Å; V1032-E1034 VanDerWaalsContact C-N 3.31Å; V1032-E1034 PolarHBondContact O-N 2.63Å; E1034-Y1036 VanDerWaalsContact C-N 3.3Å; E1034-Y1036 PolarHBondContact O-N 3.14Å; E1034-R1037 WeakPolarHBondContact O-CB 3.49Å; E1034-R1037 PolarHBondContact O-N 3.42Å; E1034-R1037 VanDerWaalsContact O-N 3.16Å; E1034-V1038 WeakPolarHBondContact O-CG2 3.38Å; E1034-V1038 PolarHBondContact O-N 2.91Å
1035	R	65.6	Low	61.3	Low	92 Å²	92	98.8 Å²	98.8	35%	0.347	47%	0.466	S	S	.	.	H	α-helix	trans	-56.5	-42.6	170.9	-175.5	179.6	-179.6	-151.2	-4.4	111.9	N991 N1031 V1032 V1038 S1039	N991-R1035 PolarHBondContact ND2-NH1 2.87Å; N1031-R1035 WeakPolarHBondContact O-CB 3.26Å; N1031-R1035 PolarHBondContact O-N 3.46Å; V1032-R1035 PolarHBondContact O-N 2.84Å; R1035-V1038 PolarHBondContact O-N 3.35Å; R1035-S1039 WeakPolarHBondContact O-CB 3.46Å; R1035-S1039 PolarHBondContact O-N 2.87Å
1036	Y	62.5	Low	59.9	Low	145 Å²	145	101.2 Å²	101.2	57%	0.569	48%	0.475	S	S	*	.	H	α-helix	trans	-65.7	-41.6	176.5	-174.1	-110.9	0	0	0	112.1	V1032 E1034 V1038 S1039 Q1040	V1032-Y1036 WeakPolarHBondContact O-CB 3.18Å; V1032-Y1036 PolarHBondContact O-N 2.99Å; E1034-Y1036 VanDerWaalsContact C-N 3.3Å; E1034-Y1036 PolarHBondContact O-N 3.14Å; Y1036-V1038 PolarHBondContact O-N 2.99Å; Y1036-S1039 PolarHBondContact O-N 2.87Å; Y1036-Q1040 HydrophobicContact CD1-CG 4.01Å; Y1036-Q1040 HydrophobicContact CD2-CG 4.26Å; Y1036-Q1040 HydrophobicContact CE1-CG 3.67Å; Y1036-Q1040 HydrophobicContact CE2-CG 3.93Å; Y1036-Q1040 HydrophobicContact CG-CG 4.3Å; Y1036-Q1040 VanDerWaalsContact O-CB 3.28Å; Y1036-Q1040 WeakPolarHBondContact O-CB 3.36Å; Y1036-Q1040 VanDerWaalsContact O-CG 3.26Å; Y1036-Q1040 WeakPolarHBondContact O-CG 3.44Å; Y1036-Q1040 PolarHBondContact O-N 2.85Å; Y1036-Q1040 PolarHBondContact OH-NE2 3.01Å
1037	R	65.5	Low	58.5	Low	205 Å²	205	98.7 Å²	98.7	77%	0.774	47%	0.473	S	S	*	.	H	α-helix	trans	-60	-44.9	174.2	-174.5	-179	-177.1	175.5	2.8	111.8	K1033 E1034 A1041	K1033-R1037 WeakPolarHBondContact O-CB 3.37Å; K1033-R1037 PolarHBondContact O-N 2.94Å; E1034-R1037 WeakPolarHBondContact O-CB 3.49Å; E1034-R1037 PolarHBondContact O-N 3.42Å; E1034-R1037 VanDerWaalsContact O-N 3.16Å; R1037-A1041 WeakPolarHBondContact O-CB 3.48Å; R1037-A1041 PolarHBondContact O-N 2.84Å
1038	V	54.2	Low	57	Low	92 Å²	92	99.1 Å²	99.1	56%	0.558	49%	0.488	S	S	*	.	H	α-helix	trans	-65.2	-42.6	176.9	172.5	0	0	0	0	111.3	E1034 R1035 Y1036 T1042	E1034-V1038 WeakPolarHBondContact O-CG2 3.38Å; E1034-V1038 PolarHBondContact O-N 2.91Å; R1035-V1038 PolarHBondContact O-N 3.35Å; Y1036-V1038 PolarHBondContact O-N 2.99Å; V1038-T1042 PolarHBondContact O-OG1 2.78Å; V1038-T1042 WeakPolarHBondContact O-CB 3.19Å; V1038-T1042 PolarHBondContact O-N 3.24Å
1039	S	51.7	Low	55.3	Low	59 Å²	59	105.7 Å²	105.7	41%	0.413	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-48	177	-169.8	0	0	0	0	112.2	R1035 Y1036 A1041 T1042 M1043	R1035-S1039 WeakPolarHBondContact O-CB 3.46Å; R1035-S1039 PolarHBondContact O-N 2.87Å; Y1036-S1039 PolarHBondContact O-N 2.87Å; S1039-A1041 PolarHBondContact O-N 2.92Å; S1039-T1042 CarbonylContact O-C 3.52Å; S1039-T1042 WeakPolarHBondContact O-CA 3.41Å; S1039-T1042 WeakPolarHBondContact O-CB 3.44Å; S1039-T1042 PolarHBondContact O-N 3.3Å; S1039-T1042 VanDerWaalsContact O-N 3.08Å; S1039-M1043 WeakPolarHBondContact O-CG 3.5Å; S1039-M1043 PolarHBondContact O-N 2.88Å
1040	Q	52.7	Low	53.7	Low	68 Å²	68	103.4 Å²	103.4	32%	0.318	53%	0.528	S	S	.	.	H	α-helix	trans	-57.4	-47.6	175.8	-79	-86.6	66.2	0	0	112.1	Y1036 T1042 M1043 M1044	Y1036-Q1040 HydrophobicContact CD1-CG 4.01Å; Y1036-Q1040 HydrophobicContact CD2-CG 4.26Å; Y1036-Q1040 HydrophobicContact CE1-CG 3.67Å; Y1036-Q1040 HydrophobicContact CE2-CG 3.93Å; Y1036-Q1040 HydrophobicContact CG-CG 4.3Å; Y1036-Q1040 VanDerWaalsContact O-CB 3.28Å; Y1036-Q1040 WeakPolarHBondContact O-CB 3.36Å; Y1036-Q1040 VanDerWaalsContact O-CG 3.26Å; Y1036-Q1040 WeakPolarHBondContact O-CG 3.44Å; Y1036-Q1040 PolarHBondContact O-N 2.85Å; Y1036-Q1040 PolarHBondContact OH-NE2 3.01Å; Q1040-T1042 VanDerWaalsContact C-N 3.28Å; Q1040-T1042 PolarHBondContact O-N 2.8Å; Q1040-M1043 PolarHBondContact O-N 2.66Å; Q1040-M1043 VanDerWaalsContact O-N 3.13Å; Q1040-M1044 WeakPolarHBondContact O-CG 3.31Å; Q1040-M1044 PolarHBondContact O-N 3.37Å
1041	A	49.9	Very low	51.9	Low	56 Å²	56	109.4 Å²	109.4	46%	0.463	55%	0.55	S	S	.	*	H	α-helix	trans	-57.8	-43	174.5	0	0	0	0	0	111.4	R1037 S1039 M1043 V1045	R1037-A1041 WeakPolarHBondContact O-CB 3.48Å; R1037-A1041 PolarHBondContact O-N 2.84Å; S1039-A1041 PolarHBondContact O-N 2.92Å; A1041-M1043 VanDerWaalsContact C-N 3.34Å; A1041-M1043 PolarHBondContact O-N 3.29Å; A1041-V1045 VanDerWaalsContact O-CB 3.31Å; A1041-V1045 PolarHBondContact O-N 2.67Å; A1041-V1045 WeakPolarHBondContact O-CG2 3.25Å; A1041-V1045 WeakPolarHBondContact O-CB 3.34Å
1042	T	47.3	Very low	50.7	Low	66 Å²	66	113.8 Å²	113.8	41%	0.405	57%	0.572	S	S	.	*	H	α-helix	trans	-66.7	-31	177	-56.4	0	0	0	0	113.1	V1038 S1039 Q1040 K1046	V1038-T1042 PolarHBondContact O-OG1 2.78Å; V1038-T1042 WeakPolarHBondContact O-CB 3.19Å; V1038-T1042 PolarHBondContact O-N 3.24Å; S1039-T1042 CarbonylContact O-C 3.52Å; S1039-T1042 WeakPolarHBondContact O-CA 3.41Å; S1039-T1042 WeakPolarHBondContact O-CB 3.44Å; S1039-T1042 PolarHBondContact O-N 3.3Å; S1039-T1042 VanDerWaalsContact O-N 3.08Å; Q1040-T1042 VanDerWaalsContact C-N 3.28Å; Q1040-T1042 PolarHBondContact O-N 2.8Å; T1042-K1046 WeakPolarHBondContact O-CG 3.4Å
1043	M	42.8	Very low	49.8	Very low	104 Å²	104	117.1 Å²	117.1	51%	0.512	59%	0.586	S	S	.	*	H	α-helix	trans	-81.2	-42.8	178.3	-73.6	-166.9	70.9	0	0	113.3	S1039 Q1040 A1041 V1045 K1046 C1047	S1039-M1043 WeakPolarHBondContact O-CG 3.5Å; S1039-M1043 PolarHBondContact O-N 2.88Å; Q1040-M1043 PolarHBondContact O-N 2.66Å; Q1040-M1043 VanDerWaalsContact O-N 3.13Å; A1041-M1043 VanDerWaalsContact C-N 3.34Å; A1041-M1043 PolarHBondContact O-N 3.29Å; M1043-V1045 PolarHBondContact O-N 2.91Å; M1043-K1046 WeakPolarHBondContact O-CA 3.2Å; M1043-K1046 WeakPolarHBondContact O-CB 3.45Å; M1043-K1046 PolarHBondContact O-N 3Å; M1043-C1047 PolarHBondContact O-N 3.18Å
1044	M	46.3	Very low	48.8	Very low	133 Å²	133	114.5 Å²	114.5	66%	0.655	58%	0.579	S	S	*	*	H	α-helix	trans	-58.8	-39.6	174.7	-71.4	-175.3	170.7	0	0	111.2	Q1040 K1046 C1047 G1048	Q1040-M1044 WeakPolarHBondContact O-CG 3.31Å; Q1040-M1044 PolarHBondContact O-N 3.37Å; M1044-K1046 PolarHBondContact O-N 3.36Å; M1044-C1047 PolarHBondContact O-N 2.98Å; M1044-G1048 PolarHBondContact O-N 3.43Å
1045	V	51.6	Low	47.8	Very low	49 Å²	49	114.3 Å²	114.3	30%	0.297	58%	0.58	S	S	.	*	H	α-helix	trans	-62.7	-17.9	172.9	162.3	0	0	0	0	114.3	T794 A1041 M1043	T794-V1045 HydrophobicContact CG2-CB 4.37Å; T794-V1045 HydrophobicContact CG2-CG1 3.44Å; T794-V1045 VanDerWaalsContact CG2-CG1 3.44Å; T794-V1045 HydrophobicContact CG2-CG2 3.91Å; A1041-V1045 VanDerWaalsContact O-CB 3.31Å; A1041-V1045 PolarHBondContact O-N 2.67Å; A1041-V1045 WeakPolarHBondContact O-CG2 3.25Å; A1041-V1045 WeakPolarHBondContact O-CB 3.34Å; M1043-V1045 PolarHBondContact O-N 2.91Å
1046	K	39.4	Very low	46.7	Very low	142 Å²	142	115.7 Å²	115.7	62%	0.617	60%	0.595	S	S	*	*	H	α-helix	trans	-93.4	-45.6	173.5	-70	168.8	-176	174.6	0	111.5	T1042 M1043 M1044 G1048 K1049	T1042-K1046 WeakPolarHBondContact O-CG 3.4Å; M1043-K1046 WeakPolarHBondContact O-CA 3.2Å; M1043-K1046 WeakPolarHBondContact O-CB 3.45Å; M1043-K1046 PolarHBondContact O-N 3Å; M1044-K1046 PolarHBondContact O-N 3.36Å; K1046-G1048 VanDerWaalsContact C-N 3.27Å; K1046-G1048 PolarHBondContact O-N 2.84Å; K1046-K1049 PolarHBondContact O-N 2.95Å
1047	C	38.6	Very low	45.7	Very low	88 Å²	88	113.7 Å²	113.7	60%	0.595	60%	0.597	S	S	*	*	H	α-helix	trans	-64.8	-28.3	178.1	-74.1	0	0	0	0	113.5	M1043 M1044 K1049 A1050	M1043-C1047 PolarHBondContact O-N 3.18Å; M1044-C1047 PolarHBondContact O-N 2.98Å; C1047-K1049 PolarHBondContact O-N 2.91Å; C1047-A1050 PolarHBondContact O-N 2.92Å
1048	G	38.5	Very low	44.3	Very low	64 Å²	64	107.2 Å²	107.2	66%	0.66	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	6.3	173.3	0	0	0	0	0	116.1	M1044 K1046	M1044-G1048 PolarHBondContact O-N 3.43Å; K1046-G1048 VanDerWaalsContact C-N 3.27Å; K1046-G1048 PolarHBondContact O-N 2.84Å
1049	K	40.7	Very low	43.5	Very low	185 Å²	185	108.4 Å²	108.4	80%	0.804	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	7.5	169.2	-74.5	-162.8	168.2	-162.1	0	114	K1046 C1047	K1046-K1049 PolarHBondContact O-N 2.95Å; C1047-K1049 PolarHBondContact O-N 2.91Å
1050	A	34.6	Very low	42.8	Very low	87 Å²	87	112.5 Å²	112.5	72%	0.719	60%	0.601	S	S	*	*			trans	-119.8	26.6	-178.2	0	0	0	0	0	112.8	C1047	C1047-A1050 PolarHBondContact O-N 2.92Å
1051	R	31.4	Very low	41.9	Very low	308 Å²	308	116.5 Å²	116.5	100%	1.162	63%	0.626	S	S	*	*			trans	-138.1	0	168.6	-77.9	-172.1	172.4	-172.8	-2.4	108.4

Retrieved 1,051 of 1,051 residues in 921.2 ms (Link to these results)

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