X2JHP2_DROME Loading...

Rho GTPase activating protein at 1A, isoform C

AlphaFold DB (C1C560), UniProt , Accession X2JHP2, Species DROME (Drosophila melanogaster, Fruit fly), Gene RhoGAP1A, Length 903 aa.

						>X2JHP2_DROME|X2JHP2|RhoGAP1A
MPPRPPPKNIRRVEPPTIPSQQLSSSPKRETYMINTMPSSSSGSLCIDSLGNSLERNIKPSDILRQKSSDNLDSKYSAKRKTTPELSKFVNVNNPELMEELGRKMVSKADSLEQTRRNDSSPSGCGSLGRTSSTPGRSLTPGRTGVGASPTGSLSKTGKLAMADSSSTSSLERRSCLQAVDADIGTESRESGANQRSVGSKESLTSQGISEVIKSYESVSSLSSESAKAVASQQSAAAGGALAECEPYYDSVPLDNGDGEYVFIKPGRTGSSSSRDDLSTPGSSILPLPNVADPESPGRTSNYVNIDFFLQQGIETRSSSLDSDGEYEGPPILRTISHDDQTTTQTTPGAIRKVCGNARGAKIRSILSSIIQSETIYVECLNKMMQYKKAIHATLTTSQPVIREEEENTIFFKIDELYDLHTGFLSDLKTIVSHEGGDVLIGEPFRRLAEMFDLYSAFLHNYKNAIETVKKCSANNPQFKKIVSTIVLNLQTEQSLTLEDLLHKPVARVQINALVFNDLLRETPNAHPDHQPLRQAQKIIQMFLNQFNVVNQRLPIESNRNLRRMVRNSFIVELVDGHRKLRHLFLFNDVIACAKYKALGRDRIDYELKWFIPLKDVSIYEEADPAVELKESSPANISQVKRNLRSVRDQLAMEVANSGSGAFRSGDKYRRKLADLESQLVLATPNLVLRLGNKANNKTITFFLSSDFERTQWIDSILSLKQKCNLPGANTINSLEVTAFIVAMQKGMKTEMGSYLMRNTNDESLLVGDLYMGVHGLEGLEQANDLYICVEVDSYGHYFRKATTKKICRSQTPLWNESFMLELEGSQNVRILLYEAKERPLLKAKHILKLSLSWLTETTQPKSIKLTETLELGCSFRFIPGELFRGSTKPGALFGAKMSQVLK
					

Structure Viewer

Loading PAE data...

(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	39.8	Very low	39.8	Very low	237 Å²	237	167.5 Å²	167.5	100%	1.167	86%	0.862	S	S	*	*				0	107	0	-88.1	-62.3	-176.4	0	0	109.5
2	P	34.8	Very low	39.3	Very low	118 Å²	118	170.1 Å²	170.1	77%	0.766	85%	0.853	S	S	*	*			trans	-92.6	145.7	171.6	35.1	-30.8	0	0	0	111.9
3	P	49.1	Very low	38.6	Very low	130 Å²	130	167.8 Å²	167.8	84%	0.844	85%	0.853	S	S	*	*			trans	-79.5	161.9	176.7	32.4	-34.7	0	0	0	113.4
4	R	40.1	Very low	37.8	Very low	235 Å²	235	165.4 Å²	165.4	89%	0.887	84%	0.837	S	S	*	*			trans	-104	144.1	-175.5	-177.5	-174.9	-71.9	-158.2	-1.5	111.4
5	P	40	Very low	38.6	Very low	111 Å²	111	161.9 Å²	161.9	72%	0.721	83%	0.83	S	S	*	*			trans	-77.1	155.7	178.4	31.2	-36.9	0	0	0	114.2
6	P	48.3	Very low	38.5	Very low	121 Å²	121	159.9 Å²	159.9	79%	0.786	83%	0.831	S	S	*	*			trans	-83.6	164.6	175.9	34.1	-35.4	0	0	0	114.3
7	P	42.1	Very low	38	Very low	131 Å²	131	157.8 Å²	157.8	85%	0.851	83%	0.826	S	S	*	*			trans	-97.6	-174.1	-166.4	39.4	-37.8	0	0	0	115.7
8	K	39.3	Very low	37.9	Very low	189 Å²	189	157 Å²	157	82%	0.822	82%	0.822	S	S	*	*			trans	-113.3	153.4	-174.7	-58.5	177.1	179.8	178.4	0	113.2
9	N	35.7	Very low	37.7	Very low	157 Å²	157	155.4 Å²	155.4	84%	0.84	82%	0.821	S	S	*	*			trans	66.9	120.3	159.3	-60.4	-13.7	0	0	0	120.5
10	I	36	Very low	37.3	Very low	180 Å²	180	152.7 Å²	152.7	92%	0.923	82%	0.816	S	S	*	*			trans	-137.2	159	146.3	-65.9	-172.7	0	0	0	107.9
11	R	32.8	Very low	36.9	Very low	233 Å²	233	153.5 Å²	153.5	88%	0.879	82%	0.815	S	S	*	*			trans	-136.8	133.5	-164.9	-153.5	-177.3	-166.1	-177.6	4.3	112.9
12	R	33.5	Very low	36.3	Very low	199 Å²	199	150.3 Å²	150.3	75%	0.751	80%	0.797	S	S	*	*			trans	48.4	129	151.7	-166.3	-177.3	-164.6	171.2	7.7	121.3	E14	R12-E14 IonicContact CZ-OE2 3.01Å; R12-E14 IonicContact NE-OE2 3.23Å; R12-E14 PolarHBondContact NE-OE2 2.75Å; R12-E14 IonicContact NH2-OE2 2.7Å; R12-E14 PolarHBondContact NH2-OE2 3.24Å
13	V	30.6	Very low	36	Very low	141 Å²	141	151.9 Å²	151.9	86%	0.855	80%	0.798	S	S	*	*			trans	-141.9	143.4	151.7	-176.8	0	0	0	0	109.7
14	E	27.4	Very low	34.9	Very low	134 Å²	134	150.2 Å²	150.2	63%	0.626	79%	0.79	S	S	*	*			trans	-146.6	-176.6	168.5	-61.3	177.3	109.9	0	0	107.5	R12	R12-E14 IonicContact CZ-OE2 3.01Å; R12-E14 IonicContact NE-OE2 3.23Å; R12-E14 PolarHBondContact NE-OE2 2.75Å; R12-E14 IonicContact NH2-OE2 2.7Å; R12-E14 PolarHBondContact NH2-OE2 3.24Å
15	P	48.9	Very low	34.3	Very low	113 Å²	113	144.5 Å²	144.5	73%	0.734	79%	0.786	S	S	*	*				-120.3	-167.6	-82.9	40.3	-24.6	0	0	0	112
16	P	36.7	Very low	33.9	Very low	129 Å²	129	144.6 Å²	144.6	84%	0.838	79%	0.789	S	S	*	*			trans	-135.1	178	145.6	36.5	-22.6	0	0	0	114.6
17	T	31.6	Very low	33.6	Very low	124 Å²	124	144.5 Å²	144.5	76%	0.761	79%	0.789	S	S	*	*			trans	-122.1	157.8	-154.1	-53.9	0	0	0	0	115.3
18	I	35.8	Very low	32.9	Very low	144 Å²	144	147 Å²	147	74%	0.738	79%	0.786	S	S	*	*			trans	-35.5	151.3	169.4	-41	158.9	0	0	0	115.6
19	P	34.6	Very low	32.4	Very low	126 Å²	126	148.4 Å²	148.4	82%	0.818	79%	0.786	S	S	*	*				-127.4	167.4	122.8	38.2	-32.6	0	0	0	114.1
20	S	28.7	Very low	31.9	Very low	102 Å²	102	147.4 Å²	147.4	71%	0.713	78%	0.777	S	S	*	*			trans	-115.4	161.9	-164.3	54.1	0	0	0	0	114.1
21	Q	28.7	Very low	31.5	Very low	170 Å²	170	143.1 Å²	143.1	79%	0.794	76%	0.759	S	S	*	*				179.3	139.6	123.9	-97.9	172.8	9	0	0	115.6
22	Q	27.2	Very low	31.3	Very low	169 Å²	169	142.5 Å²	142.5	79%	0.79	76%	0.758	S	S	*	*			trans	29.5	160.3	141.3	-59.7	-176.7	-47.1	0	0	125.3
23	L	28.2	Very low	31	Very low	151 Å²	151	140.3 Å²	140.3	79%	0.791	76%	0.758	S	S	*	*			trans	101.6	90.2	154.8	-65.3	178.2	0	0	0	120.9
24	S	26.3	Very low	31	Very low	96 Å²	96	140.5 Å²	140.5	67%	0.671	75%	0.753	S	S	*	*				62.2	149.3	117.2	69.6	0	0	0	0	124.1
25	S	27.7	Very low	31	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	76%	0.757	S	S	*	*			trans	87.5	128.9	153.1	78.3	0	0	0	0	119.7
26	S	32.5	Very low	30	Very low	114 Å²	114	141.6 Å²	141.6	80%	0.797	76%	0.762	S	S	*	*			trans	-89.2	160.9	152.5	-40.9	0	0	0	0	108.8
27	P	42.2	Very low	29.8	Very low	119 Å²	119	143.5 Å²	143.5	77%	0.773	76%	0.762	S	S	*	*				-153.4	158.6	100.8	37.9	-20.1	0	0	0	118.5
28	K	27.1	Very low	30.5	Very low	184 Å²	184	143 Å²	143	80%	0.8	76%	0.761	S	S	*	*			trans	-2.2	134.8	149.5	-49	173.9	-178.7	-178.3	0	120.6
29	R	27.6	Very low	30.3	Very low	217 Å²	217	140.9 Å²	140.9	82%	0.819	76%	0.758	S	S	*	*				-171.7	133.9	111.8	-124.9	121.5	-167.7	-150.6	-6.2	110.4
30	E	26.4	Very low	30.3	Very low	137 Å²	137	140 Å²	140	64%	0.64	76%	0.755	S	S	*	*				57.4	138.2	69.3	-57.5	173.1	158.7	0	0	113.4
31	T	27.1	Very low	30.5	Very low	90 Å²	90	139.7 Å²	139.7	55%	0.552	75%	0.753	S	S	*	*			cis	-165.9	166.3	-1.6	-92.8	0	0	0	0	109.6	M33	T31-M33 HydrophobicContact CG2-CG 4.31Å
32	Y	27.8	Very low	30.7	Very low	219 Å²	219	137.3 Å²	137.3	86%	0.859	76%	0.755	S	S	*	*			trans	149.6	107.3	145.1	-77.2	-59.8	0	0	0	108.5
33	M	28.8	Very low	30.7	Very low	154 Å²	154	132.6 Å²	132.6	76%	0.759	75%	0.752	S	S	*	*				61.8	130.3	73.3	-58.5	-68.9	-175.3	0	0	111.7	T31	T31-M33 HydrophobicContact CG2-CG 4.31Å
34	I	29.5	Very low	30.8	Very low	144 Å²	144	130.8 Å²	130.8	74%	0.738	75%	0.752	S	S	*	*			cis	-152.7	144.3	49.9	-78.5	176.3	0	0	0	112.2
35	N	28.5	Very low	30.9	Very low	135 Å²	135	133.1 Å²	133.1	72%	0.722	76%	0.756	S	S	*	*			trans	31.6	153	150.3	-50.7	-8.3	0	0	0	122.2
36	T	28.1	Very low	30.9	Very low	135 Å²	135	132.8 Å²	132.8	83%	0.828	75%	0.752	S	S	*	*			cis	-149	148.7	21.3	-32.3	0	0	0	0	113
37	M	30.6	Very low	30.6	Very low	170 Å²	170	134.2 Å²	134.2	84%	0.837	75%	0.75	S	S	*	*			trans	-85.6	-171.2	167.3	-84.7	-77.5	-169.3	0	0	110.8
38	P	47.4	Very low	29.8	Very low	113 Å²	113	135 Å²	135	73%	0.734	75%	0.747	S	S	*	*			cis	-129.1	-163.6	1.7	46.2	-29.4	0	0	0	111.8
39	S	32.3	Very low	29.8	Very low	99 Å²	99	130.3 Å²	130.3	69%	0.692	74%	0.738	S	S	*	*			cis	-168.6	157	-7.3	21.5	0	0	0	0	106
40	S	33	Very low	29.6	Very low	107 Å²	107	128.3 Å²	128.3	75%	0.748	74%	0.743	S	S	*	*			cis	-167	-141.7	-13.2	49.5	0	0	0	0	104.5
41	S	34.4	Very low	29.6	Very low	96 Å²	96	124.8 Å²	124.8	67%	0.671	74%	0.743	S	S	*	*			cis	-179.2	150.5	-16.9	32.5	0	0	0	0	104.6
42	S	31.6	Very low	29.5	Very low	121 Å²	121	128.4 Å²	128.4	85%	0.846	76%	0.759	S	S	*	*			cis	179.7	151.9	-16.6	47.1	0	0	0	0	105.7
43	G	27.1	Very low	29.6	Very low	69 Å²	69	122.5 Å²	122.5	71%	0.711	75%	0.75	S	S	*	*			cis	158.4	-165.9	6.3	0	0	0	0	0	109.3
44	S	30.5	Very low	29.5	Very low	114 Å²	114	122 Å²	122	80%	0.797	75%	0.749	S	S	*	*			trans	70.2	143.6	163.1	175.5	0	0	0	0	118.8
45	L	29.8	Very low	29.5	Very low	145 Å²	145	121.3 Å²	121.3	76%	0.759	74%	0.743	S	S	*	*			cis	-166.1	156.3	-17.8	-101.3	178.6	0	0	0	109.7
46	C	26.9	Very low	29.6	Very low	106 Å²	106	123.5 Å²	123.5	72%	0.716	74%	0.741	S	S	*	*			trans	59.8	176.3	150.7	-68.6	0	0	0	0	121.4
47	I	26.6	Very low	29.5	Very low	145 Å²	145	123.4 Å²	123.4	74%	0.744	74%	0.736	S	S	*	*				-163.4	152.8	-65.6	-115.2	169.8	0	0	0	111.3
48	D	25	Very low	29.3	Very low	134 Å²	134	122.2 Å²	122.2	72%	0.717	73%	0.731	S	S	*	*			trans	71.7	124.4	158.8	-94	-50.2	0	0	0	127.2
49	S	26.4	Very low	28.1	Very low	87 Å²	87	126.2 Å²	126.2	61%	0.608	74%	0.737	S	S	*	*				65.7	134.9	124.7	-73.1	0	0	0	0	127.6
50	L	24.9	Very low	28.4	Very low	175 Å²	175	126.6 Å²	126.6	92%	0.916	74%	0.737	S	S	*	*			trans	54.9	147.1	141.5	-64.5	161.4	0	0	0	121.4
51	G	25.4	Very low	28.1	Very low	62 Å²	62	125.9 Å²	125.9	64%	0.639	73%	0.732	S	S	*	*			cis	160.7	144	-9	0	0	0	0	0	114.3
52	N	25.9	Very low	27.7	Very low	167 Å²	167	128.5 Å²	128.5	89%	0.893	74%	0.738	S	S	*	*			trans	64.6	172.1	172.5	-61.8	-24.7	0	0	0	116.8
53	S	28.3	Very low	27.5	Very low	95 Å²	95	130.5 Å²	130.5	66%	0.664	74%	0.738	S	S	*	*			cis	-160.6	146.5	8.4	-142.8	0	0	0	0	115.7
54	L	27.9	Very low	27.5	Very low	142 Å²	142	134.1 Å²	134.1	74%	0.743	74%	0.74	S	S	*	*			trans	54.7	172.7	135.7	-96.2	159.7	0	0	0	126.1
55	E	28.4	Very low	27.4	Very low	131 Å²	131	138.2 Å²	138.2	61%	0.612	74%	0.738	S	S	*	*			trans	87.4	147.8	166.3	-54.4	-80.1	112.9	0	0	119.3
56	R	30.3	Very low	27.2	Very low	180 Å²	180	138.7 Å²	138.7	68%	0.679	74%	0.737	S	S	*	*			cis	-173.7	166.4	-42.1	-116.8	-176	-162	151	-4.4	111.6
57	N	26.7	Very low	27.2	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	75%	0.745	S	S	*	*			trans	68.7	177.2	157.8	-57.9	-26.5	0	0	0	120.7
58	I	26.5	Very low	27.1	Very low	144 Å²	144	142.4 Å²	142.4	74%	0.738	75%	0.751	S	S	*	*				-164.6	131.6	-81	-98.9	164	0	0	0	113.3
59	K	23.2	Very low	27.1	Very low	197 Å²	197	140.8 Å²	140.8	86%	0.857	75%	0.75	S	S	*	*			trans	59.7	175.4	159	-78.3	-175.5	176.1	-174.6	0	118.8
60	P	37.2	Very low	27	Very low	108 Å²	108	142.6 Å²	142.6	70%	0.701	75%	0.753	S	S	*	*			cis	-133.6	172.7	1.4	42.1	-24.7	0	0	0	119.1
61	S	27.4	Very low	27	Very low	91 Å²	91	140.5 Å²	140.5	64%	0.636	74%	0.743	S	S	*	*			trans	55.5	118.2	141.7	61.7	0	0	0	0	125.9
62	D	25.8	Very low	27.1	Very low	152 Å²	152	144.2 Å²	144.2	81%	0.813	75%	0.747	S	S	*	*				51.6	132.7	120.5	-47	-40.4	0	0	0	124.8
63	I	27.8	Very low	27	Very low	162 Å²	162	144.2 Å²	144.2	83%	0.831	75%	0.747	S	S	*	*				-173.3	165.4	125.6	-99.4	162.2	0	0	0	112.7
64	L	27.1	Very low	26.9	Very low	146 Å²	146	144.2 Å²	144.2	76%	0.764	75%	0.747	S	S	*	*			trans	-52.6	170.4	-178.9	-74.7	68.5	0	0	0	114.9
65	R	28.2	Very low	26.8	Very low	200 Å²	200	146.6 Å²	146.6	76%	0.755	75%	0.751	S	S	*	*			cis	-175.2	155.4	47.5	-150.8	177.8	-168.1	-142.7	19.1	115.9
66	Q	26.2	Very low	26.7	Very low	155 Å²	155	151.6 Å²	151.6	72%	0.724	77%	0.766	S	S	*	*			trans	73	156.7	146.6	-101.4	163.3	-30.2	0	0	123
67	K	25.9	Very low	26.4	Very low	204 Å²	204	148.4 Å²	148.4	89%	0.887	77%	0.771	S	S	*	*			trans	-116.5	156.9	177.7	-55.2	173.8	179.5	177.8	0	109.8
68	S	24.3	Very low	26.4	Very low	124 Å²	124	146.4 Å²	146.4	87%	0.867	77%	0.773	S	S	*	*			trans	-149.9	154.7	147.6	52	0	0	0	0	109.6
69	S	24.9	Very low	26.4	Very low	100 Å²	100	149.2 Å²	149.2	70%	0.699	78%	0.78	S	S	*	*			trans	-117.6	-164.4	-173.3	53	0	0	0	0	111.8
70	D	24.4	Very low	26.6	Very low	125 Å²	125	151.1 Å²	151.1	67%	0.668	78%	0.782	S	S	*	*			trans	97.5	110.1	164.8	-64.2	38.6	0	0	0	113.4
71	N	25.3	Very low	26.2	Very low	132 Å²	132	155.1 Å²	155.1	71%	0.706	79%	0.788	S	S	*	*				94.6	152.3	69	-79.5	-35.1	0	0	0	110.7
72	L	26.6	Very low	26.1	Very low	140 Å²	140	156.1 Å²	156.1	73%	0.733	79%	0.791	S	S	*	*			cis	-166.3	107.1	-32.9	-173	161.7	0	0	0	105.2
73	D	24.1	Very low	26.2	Very low	166 Å²	166	155.1 Å²	155.1	89%	0.888	79%	0.791	S	S	*	*			trans	-94.9	146.2	-169.1	-143.7	-25	0	0	0	113.5
74	S	26.7	Very low	26.6	Very low	95 Å²	95	152.8 Å²	152.8	66%	0.664	79%	0.786	S	S	*	*			trans	-132.5	141.6	-166.1	-76	0	0	0	0	114.5
75	K	26.4	Very low	26.6	Very low	192 Å²	192	154.1 Å²	154.1	84%	0.835	79%	0.788	S	S	*	*			trans	-47.1	150.9	179.9	-52.8	163.8	-178.2	169.6	0	113.9
76	Y	25.5	Very low	26.5	Very low	237 Å²	237	151.3 Å²	151.3	93%	0.929	79%	0.787	S	S	*	*				-156	171.5	119.7	-101.4	-64.7	0	0	0	111.9
77	S	24	Very low	26.3	Very low	112 Å²	112	147.9 Å²	147.9	78%	0.783	78%	0.781	S	S	*	*			trans	-162.8	131.2	-163.3	61	0	0	0	0	116.5
78	A	27.1	Very low	26.3	Very low	92 Å²	92	146 Å²	146	76%	0.76	77%	0.773	S	S	*	*			trans	-167.9	135.5	158.2	0	0	0	0	0	108
79	K	25.6	Very low	26.4	Very low	203 Å²	203	148.7 Å²	148.7	88%	0.883	77%	0.769	S	S	*	*				67.6	142.1	58.4	-70.4	-175.9	178.6	178.1	0	114.5
80	R	28.6	Very low	26.5	Very low	237 Å²	237	149.8 Å²	149.8	89%	0.894	77%	0.771	S	S	*	*			cis	179.6	171.9	-31.4	-135	-173.5	-171.5	-175.2	3.5	108.1
81	K	27.6	Very low	26.5	Very low	192 Å²	192	151 Å²	151	84%	0.835	78%	0.777	S	S	*	*			trans	90	165.9	166.7	-60	-172.5	175.1	-172.6	0	118.3
82	T	25.7	Very low	26.5	Very low	112 Å²	112	151.7 Å²	151.7	69%	0.687	79%	0.786	S	S	*	*				171.2	137.3	-67.5	41.6	0	0	0	0	113.2
83	T	28.9	Very low	26.4	Very low	132 Å²	132	152.4 Å²	152.4	81%	0.81	79%	0.791	S	S	*	*			trans	62	149.4	149.8	55.5	0	0	0	0	120
84	P	35.9	Very low	26.5	Very low	113 Å²	113	152 Å²	152	73%	0.734	79%	0.788	S	S	*	*				-144.5	150.6	76	36.7	-16.1	0	0	0	116.6
85	E	27.1	Very low	27	Very low	174 Å²	174	152.2 Å²	152.2	81%	0.813	79%	0.788	S	S	*	*				69.3	156.7	105	-55.9	-160.9	140.4	0	0	118.2
86	L	26.3	Very low	26.9	Very low	140 Å²	140	151.5 Å²	151.5	73%	0.733	79%	0.788	S	S	*	*			cis	-152.7	163.6	3.3	-154.9	68.5	0	0	0	114
87	S	22.4	Very low	26.9	Very low	84 Å²	84	148.1 Å²	148.1	59%	0.587	79%	0.785	S	S	*	*			trans	-42.9	161.2	175.3	65.4	0	0	0	0	122.9
88	K	25.4	Very low	27	Very low	165 Å²	165	151.9 Å²	151.9	72%	0.717	79%	0.792	S	S	*	*				176.7	141.6	113.2	-101.4	163.2	-179.2	173.8	0	118.1
89	F	25.2	Very low	27	Very low	180 Å²	180	155.3 Å²	155.3	79%	0.789	79%	0.792	S	S	*	*			trans	55.7	168.9	158.9	-55.4	-56.8	0	0	0	120.5
90	V	27.4	Very low	27	Very low	123 Å²	123	153.7 Å²	153.7	75%	0.745	79%	0.788	S	S	*	*				171.9	127.2	-59.7	152.7	0	0	0	0	109.5
91	N	24.2	Very low	26.9	Very low	149 Å²	149	150.4 Å²	150.4	80%	0.797	79%	0.787	S	S	*	*			trans	27.5	123.6	164.8	-65.6	10.6	0	0	0	123.5
92	V	26.7	Very low	26.7	Very low	147 Å²	147	143.5 Å²	143.5	89%	0.891	77%	0.77	S	S	*	*			trans	-144.4	161.4	136	-177.1	0	0	0	0	109.1
93	N	23.5	Very low	26.9	Very low	156 Å²	156	149 Å²	149	83%	0.834	78%	0.778	S	S	*	*			trans	-83.6	165.5	-170.6	-60.9	-28.6	0	0	0	116.5
94	N	25.6	Very low	26.8	Very low	156 Å²	156	151.9 Å²	151.9	83%	0.834	78%	0.78	S	S	*	*			trans	-67.6	176.1	161.4	-116.5	1.7	0	0	0	112.3
95	P	38	Very low	26.3	Very low	100 Å²	100	154.9 Å²	154.9	65%	0.649	79%	0.786	S	S	*	*			cis	-136.6	-171.4	13.3	43.7	-25.3	0	0	0	116.5
96	E	23.6	Very low	26.3	Very low	178 Å²	178	152.8 Å²	152.8	83%	0.832	79%	0.785	S	S	*	*			trans	29.4	117.6	151.9	-69.8	-179.7	124.5	0	0	121.7
97	L	26	Very low	26.4	Very low	166 Å²	166	151 Å²	151	87%	0.869	78%	0.784	S	S	*	*				-166.4	120.6	123.9	-110.5	166	0	0	0	110.6
98	M	26.1	Very low	26.7	Very low	190 Å²	190	156.6 Å²	156.6	94%	0.936	80%	0.798	S	S	*	*			trans	-140.5	70.7	169.3	-165.3	-167.3	79.2	0	0	110.5
99	E	26.3	Very low	26.9	Very low	165 Å²	165	152.5 Å²	152.5	77%	0.771	80%	0.795	S	S	*	*			trans	-125.5	125.4	170.9	-167.7	161.2	-134.7	0	0	111.1
100	E	25.8	Very low	26.9	Very low	169 Å²	169	151.3 Å²	151.3	79%	0.79	80%	0.797	S	S	*	*			trans	39.8	116.3	158.1	-165.8	162.3	-162.8	0	0	121.8
101	L	26.4	Very low	26.8	Very low	168 Å²	168	150.8 Å²	150.8	88%	0.88	80%	0.798	S	S	*	*			trans	-146.3	77.8	142.1	-127.3	175	0	0	0	111.8
102	G	25.1	Very low	26.9	Very low	46 Å²	46	151 Å²	151	47%	0.474	80%	0.799	S	S	.	*			trans	-94.3	171.8	-179.8	0	0	0	0	0	115.4
103	R	28.1	Very low	26.9	Very low	227 Å²	227	151.9 Å²	151.9	86%	0.857	79%	0.793	S	S	*	*			trans	-166.6	113.9	156.5	-98.5	146.4	-142.5	-99.1	1.9	108.3
104	K	27.3	Very low	27	Very low	193 Å²	193	152 Å²	152	84%	0.839	79%	0.789	S	S	*	*				84.7	98	75.8	-97.5	-167.4	172.5	-178.6	0	115.1
105	M	25.9	Very low	27	Very low	177 Å²	177	149 Å²	149	87%	0.872	78%	0.776	S	S	*	*				-163.7	119.4	127.6	-101	174.7	-85.3	0	0	106.7
106	V	28.1	Very low	26.4	Very low	129 Å²	129	154.4 Å²	154.4	78%	0.782	78%	0.784	S	S	*	*				69.5	123.8	76.3	171.9	0	0	0	0	112.2
107	S	28.3	Very low	26.5	Very low	103 Å²	103	156.5 Å²	156.5	72%	0.72	78%	0.784	S	S	*	*			cis	-167.7	149.8	-12.6	-97.4	0	0	0	0	111.9
108	K	28.1	Very low	26.6	Very low	201 Å²	201	154.4 Å²	154.4	87%	0.874	77%	0.774	S	S	*	*			trans	48.2	117.4	150.2	-84.8	-166.7	171.8	-169.8	0	122.9
109	A	28.7	Very low	26.5	Very low	80 Å²	80	151.6 Å²	151.6	66%	0.661	76%	0.762	S	S	*	*				100.8	134.1	110.2	0	0	0	0	0	123.1
110	D	25.7	Very low	26.6	Very low	154 Å²	154	148.7 Å²	148.7	82%	0.824	76%	0.761	S	S	*	*			trans	74.5	143.7	145.2	-60.8	-25.9	0	0	0	125.2
111	S	25.7	Very low	26.8	Very low	112 Å²	112	146 Å²	146	78%	0.783	76%	0.76	S	S	*	*			trans	65.5	98.7	153.9	-60.8	0	0	0	0	122.4
112	L	26.1	Very low	27.9	Very low	155 Å²	155	143.1 Å²	143.1	81%	0.812	75%	0.752	S	S	*	*				37.4	114.8	106.3	-151.7	85.6	0	0	0	120.4
113	E	26.1	Very low	28.1	Very low	164 Å²	164	146.4 Å²	146.4	77%	0.766	77%	0.768	S	S	*	*			trans	62.2	169.1	148.2	-79.9	-158	152.5	0	0	122.2
114	Q	26.8	Very low	28	Very low	160 Å²	160	139.5 Å²	139.5	75%	0.748	77%	0.767	S	S	*	*			trans	78.9	141.3	166	-54.6	-155.9	13	0	0	116.5
115	T	24.2	Very low	27.8	Very low	92 Å²	92	137 Å²	137	56%	0.564	77%	0.772	S	S	*	*			cis	-160.2	161.9	-3.5	9.3	0	0	0	0	113
116	R	26.9	Very low	27.8	Very low	214 Å²	214	131.9 Å²	131.9	81%	0.808	76%	0.764	S	S	*	*			trans	67.7	143.1	149.8	-68.5	155.8	-162.8	-165.7	4.4	116.8
117	R	25.7	Very low	27.9	Very low	221 Å²	221	131 Å²	131	83%	0.834	76%	0.764	S	S	*	*			cis	120.2	130.5	10	-100	-162	-177.2	-173.5	1.7	109.5
118	N	27.1	Very low	28.2	Very low	123 Å²	123	134.6 Å²	134.6	66%	0.658	77%	0.774	S	S	*	*			trans	68.2	150.2	159.2	-63.2	56	0	0	0	115.3
119	D	25	Very low	28.2	Very low	130 Å²	130	128.2 Å²	128.2	70%	0.695	77%	0.766	S	S	*	*			cis	-156.1	170.5	-6.2	-124.5	-32.5	0	0	0	112.9
120	S	27.5	Very low	28.8	Very low	105 Å²	105	135.9 Å²	135.9	73%	0.734	78%	0.778	S	S	*	*			trans	49.9	127.8	151.4	64.2	0	0	0	0	123.1
121	S	30.2	Very low	29.1	Very low	111 Å²	111	134.1 Å²	134.1	78%	0.776	77%	0.773	S	S	*	*			trans	-58.2	-174.8	154.6	-28.2	0	0	0	0	113.8
122	P	48.5	Very low	29.5	Very low	108 Å²	108	133.9 Å²	133.9	70%	0.701	77%	0.771	S	S	*	*			cis	-142.5	177.8	0.7	38.3	-17.1	0	0	0	117.8
123	S	30.1	Very low	29.9	Very low	116 Å²	116	131.8 Å²	131.8	81%	0.811	77%	0.769	S	S	*	*			trans	52.3	128.1	143.7	62.8	0	0	0	0	123.4
124	G	26	Very low	30.5	Very low	81 Å²	81	130.2 Å²	130.2	84%	0.835	77%	0.771	S	S	*	*			trans	-166.4	160.6	163.9	0	0	0	0	0	112.1
125	C	24.1	Very low	31.7	Very low	140 Å²	140	128.8 Å²	128.8	95%	0.946	78%	0.776	S	S	*	*			trans	-146.9	137	-167.7	-172.5	0	0	0	0	115.8
126	G	25.7	Very low	31.9	Very low	70 Å²	70	128.2 Å²	128.2	72%	0.722	79%	0.788	S	S	*	*			trans	81.1	169.5	163	0	0	0	0	0	117.6
127	S	30	Very low	32.1	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	79%	0.794	S	S	*	*			cis	-171.6	148.9	-21.7	-136.4	0	0	0	0	113.8
128	L	33.8	Very low	32.3	Very low	178 Å²	178	124 Å²	124	93%	0.932	79%	0.787	S	S	*	*			trans	70.2	143.2	151.9	-66.1	167.3	0	0	0	124.5
129	G	28.9	Very low	32.2	Very low	68 Å²	68	125.4 Å²	125.4	70%	0.701	79%	0.794	S	S	*	*			trans	151.4	96.9	158.4	0	0	0	0	0	114.2
130	R	40.1	Very low	32.3	Very low	241 Å²	241	124.8 Å²	124.8	91%	0.909	80%	0.795	S	S	*	*				84.9	153.8	82.8	-89.7	-169.6	142	-147.7	-4.9	115.6
131	T	32.5	Very low	33.3	Very low	117 Å²	117	125.4 Å²	125.4	72%	0.718	80%	0.797	S	S	*	*			cis	-95	-134	6	44	0	0	0	0	112.7
132	S	34.7	Very low	33.2	Very low	107 Å²	107	123.7 Å²	123.7	75%	0.748	80%	0.796	S	S	*	*			cis	-168.4	166.5	-3.8	30.4	0	0	0	0	107.7
133	S	33.7	Very low	32.2	Very low	111 Å²	111	130.3 Å²	130.3	78%	0.776	81%	0.807	S	S	*	*			cis	-147.9	-129.2	-15.4	56.8	0	0	0	0	110.6
134	T	38.8	Very low	32.3	Very low	131 Å²	131	131.4 Å²	131.4	80%	0.804	81%	0.809	S	S	*	*			trans	-165.2	174.7	-169.5	23.1	0	0	0	0	111.6
135	P	52.4	Low	32.4	Very low	129 Å²	129	131.2 Å²	131.2	84%	0.838	81%	0.807	S	S	*	*			cis	-134.4	171.3	10.2	42.3	-25.7	0	0	0	117.7
136	G	28.5	Very low	32.7	Very low	80 Å²	80	131.7 Å²	131.7	83%	0.825	81%	0.806	S	S	*	*			trans	161.1	115.9	160.4	0	0	0	0	0	118.1
137	R	31.5	Very low	32.7	Very low	247 Å²	247	131.9 Å²	131.9	93%	0.932	81%	0.808	S	S	*	*			trans	-57.2	162.5	165.9	-86.9	176.3	163.5	179.9	-6.8	112.8
138	S	28.7	Very low	32.8	Very low	99 Å²	99	131.4 Å²	131.4	69%	0.692	81%	0.81	S	S	*	*			cis	179.6	179.7	-10.5	56.7	0	0	0	0	108.1
139	L	26.5	Very low	32.7	Very low	154 Å²	154	128.5 Å²	128.5	81%	0.806	81%	0.805	S	S	*	*			cis	-159.5	-162.6	4	-136.5	175.4	0	0	0	109
140	T	27	Very low	33.6	Very low	117 Å²	117	130.5 Å²	130.5	72%	0.718	81%	0.805	S	S	*	*			trans	-136.6	-169.6	172.9	56.6	0	0	0	0	108.2
141	P	48.2	Very low	33.2	Very low	118 Å²	118	125.8 Å²	125.8	77%	0.766	80%	0.804	S	S	*	*			cis	-141.8	162.6	2.2	42.3	-22.9	0	0	0	119.9
142	G	27.5	Very low	33	Very low	74 Å²	74	123.2 Å²	123.2	76%	0.763	80%	0.8	S	S	*	*			trans	11	170.5	144.8	0	0	0	0	0	127
143	R	28.6	Very low	33	Very low	247 Å²	247	123.6 Å²	123.6	93%	0.932	80%	0.803	S	S	*	*			trans	-159.5	167.8	146.9	-112.2	174.3	85	167.8	4.7	112.8
144	T	30.2	Very low	32.9	Very low	140 Å²	140	125.9 Å²	125.9	86%	0.859	81%	0.805	S	S	*	*			trans	-125.9	165.1	-167.6	49.8	0	0	0	0	112.6
145	G	28.1	Very low	32.5	Very low	77 Å²	77	124.5 Å²	124.5	79%	0.794	80%	0.801	S	S	*	*			trans	-166.4	139.9	175	0	0	0	0	0	113.3
146	V	31.2	Very low	31.6	Very low	150 Å²	150	127.2 Å²	127.2	91%	0.909	80%	0.8	S	S	*	*			trans	-114.2	131.4	-162.3	171.9	0	0	0	0	113.5
147	G	26.4	Very low	31.7	Very low	74 Å²	74	129.6 Å²	129.6	76%	0.763	80%	0.799	S	S	*	*			trans	63.7	134.7	132.6	0	0	0	0	0	123
148	A	31.2	Very low	31.6	Very low	100 Å²	100	121.1 Å²	121.1	83%	0.826	79%	0.788	S	S	*	*			trans	-167	165.4	150.5	0	0	0	0	0	112.3
149	S	32.2	Very low	31.6	Very low	117 Å²	117	125.8 Å²	125.8	82%	0.818	80%	0.796	S	S	*	*			trans	-148	169.9	166.1	-46.4	0	0	0	0	107.3
150	P	46.8	Very low	31.8	Very low	110 Å²	110	125.4 Å²	125.4	71%	0.714	79%	0.794	S	S	*	*				-158.4	-170.2	64.7	42.8	-19.9	0	0	0	117.5
151	T	32.9	Very low	31.9	Very low	143 Å²	143	124.1 Å²	124.1	88%	0.877	80%	0.795	S	S	*	*			trans	65.8	140.3	162.7	59.3	0	0	0	0	119.5
152	G	27.9	Very low	31.1	Very low	62 Å²	62	127.3 Å²	127.3	64%	0.639	80%	0.802	S	S	*	*			cis	-175.5	149.4	-9.4	0	0	0	0	0	115.5
153	S	34	Very low	31.2	Very low	115 Å²	115	127.6 Å²	127.6	80%	0.804	80%	0.797	S	S	*	*			trans	51.3	129.4	135.9	57.1	0	0	0	0	121.9
154	L	32.5	Very low	31.1	Very low	159 Å²	159	122.7 Å²	122.7	83%	0.832	79%	0.79	S	S	*	*			cis	-142.4	-164.1	-3.5	-68.5	115.8	0	0	0	107.9
155	S	30	Very low	31.1	Very low	102 Å²	102	121.2 Å²	121.2	71%	0.713	79%	0.785	S	S	*	*			cis	-156	164.5	1.5	-10.7	0	0	0	0	106.8
156	K	33.5	Very low	31	Very low	186 Å²	186	122.7 Å²	122.7	81%	0.809	78%	0.783	S	S	*	*			cis	72.7	128.1	38.2	-72.1	-158.7	170.3	179.6	0	115.6
157	T	30.9	Very low	31	Very low	131 Å²	131	120.6 Å²	120.6	80%	0.804	78%	0.775	S	S	*	*			cis	-166.8	161	-3.8	6.3	0	0	0	0	109.2
158	G	30.1	Very low	30.9	Very low	69 Å²	69	123.6 Å²	123.6	71%	0.711	78%	0.779	S	S	*	*			cis	144.4	120.2	-13.6	0	0	0	0	0	116.5
159	K	29.1	Very low	30.6	Very low	197 Å²	197	123.9 Å²	123.9	86%	0.857	77%	0.774	S	S	*	*			trans	86.7	145.4	161.4	-142.9	-172.1	-175.7	-177.5	0	119.8
160	L	29.6	Very low	30.4	Very low	146 Å²	146	122.8 Å²	122.8	76%	0.764	77%	0.767	S	S	*	*			trans	93.8	100.5	158.8	-61.1	176.1	0	0	0	122.3
161	A	29.5	Very low	29.5	Very low	90 Å²	90	124.5 Å²	124.5	74%	0.744	77%	0.769	S	S	*	*				71.7	144.3	113	0	0	0	0	0	125.1
162	M	30.6	Very low	29.2	Very low	184 Å²	184	123.9 Å²	123.9	91%	0.906	76%	0.756	S	S	*	*			trans	83.6	131.9	154.7	-74.8	-65.4	-174.3	0	0	123
163	A	31	Very low	29.2	Very low	80 Å²	80	131.5 Å²	131.5	66%	0.661	77%	0.766	S	S	*	*			trans	72.3	120.4	143.1	0	0	0	0	0	123.6
164	D	26.5	Very low	28.9	Very low	145 Å²	145	136.2 Å²	136.2	78%	0.775	77%	0.766	S	S	*	*				65.4	105.5	125.2	-56.9	-10.9	0	0	0	124.4
165	S	29.1	Very low	28.7	Very low	108 Å²	108	133.1 Å²	133.1	76%	0.755	76%	0.758	S	S	*	*				86.7	149.6	117.3	78.9	0	0	0	0	123
166	S	26.9	Very low	28.5	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	76%	0.759	S	S	*	*			trans	56.7	105.2	158.5	46.9	0	0	0	0	121
167	S	29.5	Very low	28.1	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	75%	0.753	S	S	*	*			trans	-22.3	143.6	144.1	54.3	0	0	0	0	118.9
168	T	25.6	Very low	27.9	Very low	138 Å²	138	132.3 Å²	132.3	85%	0.847	75%	0.751	S	S	*	*				-167.3	172.3	117.9	16.1	0	0	0	0	113.1
169	S	24.5	Very low	27.8	Very low	105 Å²	105	133 Å²	133	73%	0.734	75%	0.75	S	S	*	*			trans	-38.7	166.9	171.2	60.8	0	0	0	0	116.8
170	S	28.6	Very low	27.7	Very low	94 Å²	94	129.3 Å²	129.3	66%	0.657	74%	0.743	S	S	*	*			cis	178.6	-178.2	43.9	-161.9	0	0	0	0	113.3
171	L	27.3	Very low	27.5	Very low	146 Å²	146	129 Å²	129	76%	0.764	74%	0.743	S	S	*	*			trans	70.2	153.9	160.8	-52.8	-179.9	0	0	0	117
172	E	27.7	Very low	27.6	Very low	130 Å²	130	129.2 Å²	129.2	61%	0.607	74%	0.744	S	S	*	*			cis	-162.3	-174.9	-8.1	-129.3	-171.5	170.5	0	0	114.5
173	R	27.9	Very low	27.4	Very low	223 Å²	223	127 Å²	127	84%	0.842	74%	0.736	S	S	*	*			trans	87.9	120.9	166.8	-50.5	-174.2	-179.8	163.5	1.2	114
174	R	26	Very low	27.2	Very low	214 Å²	214	130.3 Å²	130.3	81%	0.808	74%	0.741	S	S	*	*			cis	64.4	142.3	42.1	-54	-177.5	161.8	173.1	-4.8	111.7
175	S	28.6	Very low	27.2	Very low	94 Å²	94	126.4 Å²	126.4	66%	0.657	74%	0.735	S	S	*	*			cis	-160.8	161.4	28.6	-33.9	0	0	0	0	114.1
176	C	26.1	Very low	27.1	Very low	110 Å²	110	127.3 Å²	127.3	74%	0.743	74%	0.736	S	S	*	*			trans	74	149.6	141.6	-66.1	0	0	0	0	120.3
177	L	25.5	Very low	27.2	Very low	129 Å²	129	131.1 Å²	131.1	68%	0.675	74%	0.742	S	S	*	*			cis	-161.5	157.9	-9.3	-108.3	166.2	0	0	0	112
178	Q	26.8	Very low	27.2	Very low	162 Å²	162	130.5 Å²	130.5	76%	0.757	74%	0.738	S	S	*	*			trans	48.3	124.2	149	-79.7	157.6	-24.4	0	0	121.2
179	A	27.5	Very low	27.4	Very low	84 Å²	84	133.5 Å²	133.5	69%	0.694	73%	0.734	S	S	*	*				97.4	160.5	66.6	0	0	0	0	0	111.7
180	V	27.2	Very low	27.6	Very low	119 Å²	119	135 Å²	135	72%	0.721	73%	0.729	S	S	*	*			cis	-150.8	166.6	19.2	-130.7	0	0	0	0	111.1
181	D	26.1	Very low	27.5	Very low	141 Å²	141	136.2 Å²	136.2	75%	0.754	74%	0.737	S	S	*	*			trans	46.3	123.2	148	-55	-21	0	0	0	121.8
182	A	29.8	Very low	27.4	Very low	94 Å²	94	132.6 Å²	132.6	78%	0.777	74%	0.736	S	S	*	*				88.9	157.5	78.7	0	0	0	0	0	113.2
183	D	27.5	Very low	27.6	Very low	137 Å²	137	130.9 Å²	130.9	73%	0.733	74%	0.744	S	S	*	*			cis	-158.8	172.4	-1.3	-151.9	-6.6	0	0	0	112
184	I	27.3	Very low	27.5	Very low	150 Å²	150	126.9 Å²	126.9	77%	0.769	74%	0.739	S	S	*	*			trans	54.2	139	152.2	-73.3	156.5	0	0	0	123.1
185	G	26	Very low	27.7	Very low	63 Å²	63	122.9 Å²	122.9	65%	0.649	73%	0.73	S	S	*	*			trans	104	114	148.4	0	0	0	0	0	116.6
186	T	27.2	Very low	27.7	Very low	127 Å²	127	129 Å²	129	78%	0.779	74%	0.738	S	S	*	*			cis	96.4	98.7	19	-47.5	0	0	0	0	115.8
187	E	29.5	Very low	27.7	Very low	187 Å²	187	128.5 Å²	128.5	87%	0.874	74%	0.736	S	S	*	*			trans	57.7	155.2	160.1	-51.4	-171.8	140.7	0	0	118.2
188	S	28.8	Very low	27.7	Very low	93 Å²	93	129 Å²	129	65%	0.65	74%	0.744	S	S	*	*			cis	-176.5	160.3	39	60.2	0	0	0	0	112.6
189	R	29.6	Very low	27.6	Very low	202 Å²	202	124.1 Å²	124.1	76%	0.762	74%	0.738	S	S	*	*			trans	61.9	162.1	146.6	-65.5	166.9	80.4	137.7	17.2	119
190	E	28.9	Very low	27.5	Very low	135 Å²	135	125.8 Å²	125.8	63%	0.631	74%	0.744	S	S	*	*			cis	-161.6	159.2	-18.3	-116.2	171	155.1	0	0	110.1
191	S	27.1	Very low	27.6	Very low	120 Å²	120	128.6 Å²	128.6	84%	0.839	75%	0.747	S	S	*	*			trans	63.8	164	156.2	-62.9	0	0	0	0	119.3
192	G	25.3	Very low	27.7	Very low	71 Å²	71	128.8 Å²	128.8	73%	0.732	74%	0.743	S	S	*	*			cis	161.7	75.1	-10.6	0	0	0	0	0	116.2
193	A	30.5	Very low	27.7	Very low	93 Å²	93	127.9 Å²	127.9	77%	0.769	73%	0.731	S	S	*	*			trans	53.9	133.4	157.8	0	0	0	0	0	122.6
194	N	27.4	Very low	27.6	Very low	139 Å²	139	128.4 Å²	128.4	74%	0.743	73%	0.733	S	S	*	*				-175.7	141.6	118.6	-106.3	-61.3	0	0	0	117.5
195	Q	29.9	Very low	27.6	Very low	131 Å²	131	126.9 Å²	126.9	61%	0.612	73%	0.731	S	S	*	*			trans	39	131.5	140.8	-76	177.7	78.6	0	0	125.8
196	R	27.6	Very low	27.7	Very low	222 Å²	222	128 Å²	128	84%	0.838	73%	0.728	S	S	*	*			trans	64.8	159.8	130.6	-70.6	176.4	170.1	161.3	-12.8	119.4
197	S	26.8	Very low	27.7	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	73%	0.733	S	S	*	*			cis	-174	166.2	-20.5	-178.4	0	0	0	0	109.3
198	V	24.8	Very low	27.5	Very low	139 Å²	139	125 Å²	125	84%	0.842	72%	0.724	S	S	*	*			trans	70.7	151	170.3	-164	0	0	0	0	115.1
199	G	24.6	Very low	27.4	Very low	61 Å²	61	128.5 Å²	128.5	63%	0.629	73%	0.733	S	S	*	*			cis	141.9	107.1	-15.4	0	0	0	0	0	116.2
200	S	26.5	Very low	27.3	Very low	119 Å²	119	124.1 Å²	124.1	83%	0.832	73%	0.733	S	S	*	*			trans	-174.1	149.7	165.4	-82.2	0	0	0	0	108.6
201	K	29.3	Very low	27.4	Very low	178 Å²	178	126.1 Å²	126.1	77%	0.774	74%	0.743	S	S	*	*			cis	69.6	138.1	37.3	-81.3	-177.1	166.9	-89.5	0	113.8
202	E	27.9	Very low	27.4	Very low	144 Å²	144	126.3 Å²	126.3	67%	0.673	74%	0.738	S	S	*	*			cis	-171	179.8	-16.8	-134.3	-171.2	-75.8	0	0	107.6
203	S	28.6	Very low	27.6	Very low	75 Å²	75	130.5 Å²	130.5	52%	0.524	74%	0.743	S	S	.	*			cis	-168.5	-178.2	0	-157.9	0	0	0	0	110.8
204	L	27	Very low	27.4	Very low	149 Å²	149	135.6 Å²	135.6	78%	0.78	75%	0.747	S	S	*	*			trans	67.7	155.4	161.5	-55.1	169.9	0	0	0	117.8
205	T	27	Very low	27.4	Very low	118 Å²	118	134.6 Å²	134.6	72%	0.724	75%	0.751	S	S	*	*			cis	-173.7	164.7	-7.3	23.5	0	0	0	0	108.6
206	S	28.3	Very low	27.3	Very low	85 Å²	85	138.6 Å²	138.6	59%	0.594	76%	0.762	S	S	*	*			cis	-174.8	164.3	-28.9	51.5	0	0	0	0	111.4
207	Q	26.9	Very low	27.3	Very low	187 Å²	187	136.3 Å²	136.3	87%	0.874	76%	0.761	S	S	*	*			trans	66.5	143.7	170.3	-67.2	126.6	-42.1	0	0	119.7
208	G	24.9	Very low	27.5	Very low	66 Å²	66	135.3 Å²	135.3	68%	0.68	75%	0.754	S	S	*	*			cis	176.3	178.7	-7	0	0	0	0	0	114.7
209	I	26.5	Very low	27.5	Very low	165 Å²	165	135.3 Å²	135.3	85%	0.846	75%	0.754	S	S	*	*			trans	73.2	101.3	171.7	-49.5	178.5	0	0	0	114.7
210	S	27.5	Very low	27.6	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	76%	0.762	S	S	*	*				75.5	139.1	80.6	-56.1	0	0	0	0	114.1
211	E	30	Very low	27.8	Very low	177 Å²	177	137.3 Å²	137.3	83%	0.827	76%	0.759	S	S	*	*			cis	-147.4	161.4	29.8	-77.2	-164.3	131.6	0	0	116.2
212	V	28.7	Very low	27.6	Very low	124 Å²	124	136.4 Å²	136.4	75%	0.752	76%	0.761	S	S	*	*			trans	47.7	131.5	135.1	176.3	0	0	0	0	119.6
213	I	28.5	Very low	27.5	Very low	160 Å²	160	135.3 Å²	135.3	82%	0.821	77%	0.77	S	S	*	*			cis	-129.2	155.5	38.8	-61.5	171.1	0	0	0	112.4
214	K	26.3	Very low	27.8	Very low	200 Å²	200	136.4 Å²	136.4	87%	0.87	78%	0.777	S	S	*	*			trans	-109.2	151.8	177.7	-67.4	-179.6	177.3	176.7	0	114.3
215	S	28	Very low	27.9	Very low	118 Å²	118	137.3 Å²	137.3	83%	0.825	78%	0.777	S	S	*	*			trans	-80.3	175.3	156.7	51.7	0	0	0	0	111.5
216	Y	28.1	Very low	28	Very low	215 Å²	215	136.5 Å²	136.5	84%	0.843	78%	0.777	S	S	*	*			trans	-146.9	140.5	169.1	-157.3	-94.6	0	0	0	112.9	S218	Y216-S218 VanDerWaalsContact CE1-O 3.24Å; Y216-S218 WeakPolarHBondContact CE1-O 3.35Å
217	E	27	Very low	28.2	Very low	173 Å²	173	136.9 Å²	136.9	81%	0.808	79%	0.785	S	S	*	*			trans	-158.3	141	176.4	-166.3	178.7	-121.6	0	0	109.6
218	S	30.2	Very low	28.3	Very low	79 Å²	79	137.8 Å²	137.8	55%	0.552	79%	0.786	S	S	*	*			trans	62.3	174	174.4	-47.9	0	0	0	0	115.6	Y216	Y216-S218 VanDerWaalsContact CE1-O 3.24Å; Y216-S218 WeakPolarHBondContact CE1-O 3.35Å
219	V	25.2	Very low	28.4	Very low	139 Å²	139	139.4 Å²	139.4	84%	0.842	79%	0.793	S	S	*	*			cis	-138.9	176.7	2.8	-85	0	0	0	0	109.9
220	S	27.8	Very low	28.5	Very low	112 Å²	112	138.4 Å²	138.4	78%	0.783	79%	0.794	S	S	*	*			trans	-109.8	146.5	169.1	-46.9	0	0	0	0	112.4
221	S	29.5	Very low	28.6	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	79%	0.791	S	S	*	*			trans	178.3	133.2	144	-84.6	0	0	0	0	116.1
222	L	25.2	Very low	28.5	Very low	159 Å²	159	133.5 Å²	133.5	83%	0.832	79%	0.785	S	S	*	*			trans	49.6	125.5	137.9	-55.4	173	0	0	0	123
223	S	26.7	Very low	28.6	Very low	121 Å²	121	135.5 Å²	135.5	85%	0.846	79%	0.786	S	S	*	*				-179	158.3	111.1	-77.6	0	0	0	0	115.1
224	S	34.4	Very low	28.6	Very low	98 Å²	98	135.6 Å²	135.6	69%	0.685	78%	0.783	S	S	*	*			trans	-29.9	155.6	173.1	-76.7	0	0	0	0	118.7
225	E	29.2	Very low	28.6	Very low	167 Å²	167	131.1 Å²	131.1	78%	0.78	78%	0.777	S	S	*	*			cis	-170.5	-167.6	0.4	-116.6	178.8	72.1	0	0	111.3
226	S	29.8	Very low	28.5	Very low	101 Å²	101	130.3 Å²	130.3	71%	0.706	78%	0.777	S	S	*	*			cis	-135.4	-132.3	7.5	-152.5	0	0	0	0	111.6
227	A	31	Very low	28.4	Very low	93 Å²	93	124.6 Å²	124.6	77%	0.769	77%	0.774	S	S	*	*			cis	-151.7	-123.4	11.3	0	0	0	0	0	113.4
228	K	29.5	Very low	28.5	Very low	206 Å²	206	121.2 Å²	121.2	90%	0.896	78%	0.776	S	S	*	*			trans	-129.6	159.5	-175.9	-71.7	-179.2	179.7	177.5	0	110.3
229	A	27.3	Very low	28.2	Very low	101 Å²	101	121.4 Å²	121.4	84%	0.835	79%	0.791	S	S	*	*			cis	-140.8	-165.9	32.6	0	0	0	0	0	115.6
230	V	27.6	Very low	28.3	Very low	144 Å²	144	118.9 Å²	118.9	87%	0.873	79%	0.793	S	S	*	*			trans	-138.7	136.4	-155.5	175.5	0	0	0	0	114
231	A	29.5	Very low	28.2	Very low	83 Å²	83	118 Å²	118	69%	0.686	79%	0.792	S	S	*	*			trans	-170	124.8	158.9	0	0	0	0	0	107.7
232	S	28.6	Very low	28.1	Very low	101 Å²	101	121 Å²	121	71%	0.706	80%	0.799	S	S	*	*				56.5	135.8	73.5	70.1	0	0	0	0	115
233	Q	30.3	Very low	28.2	Very low	166 Å²	166	117.5 Å²	117.5	78%	0.776	79%	0.792	S	S	*	*			cis	-165.9	159.5	-4.5	-119.9	176.5	-1.8	0	0	110.3
234	Q	28.6	Very low	28	Very low	162 Å²	162	120.1 Å²	120.1	76%	0.757	79%	0.791	S	S	*	*			trans	41.3	150.7	147.7	-68.5	178.5	-11.6	0	0	125.5
235	S	27.6	Very low	27.6	Very low	106 Å²	106	121 Å²	121	74%	0.741	80%	0.796	S	S	*	*			trans	67.5	107.5	142.4	57.8	0	0	0	0	123.9
236	A	26.2	Very low	27.4	Very low	100 Å²	100	121.7 Å²	121.7	83%	0.826	80%	0.799	S	S	*	*				70.5	138.9	112.4	0	0	0	0	0	124.6
237	A	26.1	Very low	27.8	Very low	96 Å²	96	122 Å²	122	79%	0.793	80%	0.799	S	S	*	*			trans	81.3	120.4	140.1	0	0	0	0	0	122.9
238	A	27.4	Very low	27.6	Very low	101 Å²	101	127.8 Å²	127.8	84%	0.835	80%	0.802	S	S	*	*			trans	57.6	103.5	130.3	0	0	0	0	0	122.9
239	G	24.9	Very low	27.4	Very low	84 Å²	84	127.4 Å²	127.4	87%	0.866	80%	0.797	S	S	*	*				79.7	178.8	120.6	0	0	0	0	0	119.5
240	G	26.1	Very low	27.4	Very low	86 Å²	86	129.6 Å²	129.6	89%	0.887	80%	0.795	S	S	*	*			trans	98.8	142.8	-179.8	0	0	0	0	0	113.9
241	A	26.3	Very low	27.5	Very low	93 Å²	93	127 Å²	127	77%	0.769	78%	0.783	S	S	*	*			trans	-147.8	171.7	-179.1	0	0	0	0	0	111.5
242	L	26.7	Very low	27.5	Very low	173 Å²	173	128.9 Å²	128.9	91%	0.906	79%	0.785	S	S	*	*			trans	81.9	151.3	164.3	-68.1	160.5	0	0	0	119.5
243	A	27.6	Very low	27.6	Very low	85 Å²	85	130 Å²	130	70%	0.702	79%	0.79	S	S	*	*			trans	71.1	142.2	168.4	0	0	0	0	0	116.4
244	E	23.3	Very low	27.5	Very low	177 Å²	177	128.8 Å²	128.8	83%	0.827	79%	0.788	S	S	*	*			cis	-160.6	-178.7	-4.4	-133.4	161.4	-144.3	0	0	112.8
245	C	24.9	Very low	27.6	Very low	116 Å²	116	127.4 Å²	127.4	78%	0.784	79%	0.786	S	S	*	*			trans	72.8	106.2	158.9	-68.5	0	0	0	0	122.2
246	E	25.1	Very low	27.7	Very low	181 Å²	181	129.7 Å²	129.7	85%	0.846	79%	0.79	S	S	*	*			trans	-59.7	-178.1	133.6	-104.8	-170.8	165.2	0	0	112.5
247	P	39.3	Very low	27.8	Very low	107 Å²	107	128 Å²	128	70%	0.695	78%	0.783	S	S	*	*			cis	-131.9	179.3	-0.2	40.2	-24.2	0	0	0	114.9
248	Y	25.8	Very low	27.9	Very low	216 Å²	216	131.7 Å²	131.7	85%	0.847	79%	0.789	S	S	*	*				-174.1	165.9	118	-159.8	-107.3	0	0	0	112.1
249	Y	26.3	Very low	28	Very low	197 Å²	197	130.7 Å²	130.7	77%	0.773	79%	0.788	S	S	*	*			trans	-86.2	160.7	-172.3	-94.9	-108.8	0	0	0	115.7
250	D	27.4	Very low	28.2	Very low	148 Å²	148	135.2 Å²	135.2	79%	0.791	79%	0.787	S	S	*	*				147.9	140.7	119.8	-151.5	52.8	0	0	0	110.7
251	S	28.9	Very low	28.2	Very low	89 Å²	89	140.9 Å²	140.9	62%	0.622	78%	0.783	S	S	*	*			cis	-163.4	174.4	-27.7	-99.6	0	0	0	0	108.2
252	V	29.8	Very low	28.2	Very low	122 Å²	122	142.9 Å²	142.9	74%	0.739	79%	0.785	S	S	*	*			trans	-122.7	136.9	-173.6	-162.2	0	0	0	0	112.6
253	P	30.1	Very low	28.2	Very low	124 Å²	124	144 Å²	144	81%	0.805	78%	0.783	S	S	*	*			trans	-89.9	146	163.7	-11.5	30	0	0	0	113.7
254	L	28.9	Very low	28.2	Very low	141 Å²	141	147.7 Å²	147.7	74%	0.738	79%	0.79	S	S	*	*			trans	-150.2	146.8	-174.1	-69.5	176.7	0	0	0	108.4
255	D	30.3	Very low	28.3	Very low	133 Å²	133	148.6 Å²	148.6	71%	0.711	79%	0.791	S	S	*	*			cis	-160.2	-146.7	-12.5	-153.4	-62	0	0	0	107.3
256	N	29.6	Very low	28.9	Very low	154 Å²	154	149.2 Å²	149.2	82%	0.824	79%	0.793	S	S	*	*			trans	88.8	138.7	166.9	-46.8	-6	0	0	0	115.7
257	G	29.1	Very low	28.9	Very low	66 Å²	66	144.3 Å²	144.3	68%	0.68	79%	0.791	S	S	*	*			cis	176.1	157.6	-7.8	0	0	0	0	0	115.2
258	D	29.1	Very low	28.3	Very low	172 Å²	172	150.7 Å²	150.7	92%	0.92	80%	0.802	S	S	*	*			trans	48.2	133.4	149	-54	-26.7	0	0	0	125.5
259	G	29.5	Very low	28.3	Very low	80 Å²	80	147.8 Å²	147.8	83%	0.825	81%	0.806	S	S	*	*			trans	92.1	151.4	149.1	0	0	0	0	0	118.5
260	E	27.4	Very low	28.3	Very low	180 Å²	180	142 Å²	142	84%	0.841	81%	0.807	S	S	*	*			cis	-158	-176.3	-21.2	-169.8	159.4	-164.8	0	0	109.3
261	Y	26.7	Very low	28.4	Very low	204 Å²	204	140.8 Å²	140.8	80%	0.8	81%	0.81	S	S	*	*			trans	-48.2	168.9	177.4	-68.8	-92.9	0	0	0	115.5
262	V	26.5	Very low	28.5	Very low	135 Å²	135	142 Å²	142	82%	0.818	82%	0.819	S	S	*	*			cis	-158.2	162	41.1	-159.5	0	0	0	0	113
263	F	26.7	Very low	28.3	Very low	197 Å²	197	142.2 Å²	142.2	86%	0.864	83%	0.825	S	S	*	*			trans	-58.7	148.4	162.2	-98	-114.1	0	0	0	114
264	I	28	Very low	28.5	Very low	163 Å²	163	141.6 Å²	141.6	84%	0.836	82%	0.824	S	S	*	*			trans	-162.9	143.2	134	-80.9	-141.7	0	0	0	111.2
265	K	26.2	Very low	28.5	Very low	195 Å²	195	144.9 Å²	144.9	85%	0.848	83%	0.827	S	S	*	*			trans	-121.3	155.9	153.1	-89.3	-176.1	177.3	177.4	0	106.4
266	P	37.1	Very low	28.7	Very low	129 Å²	129	144 Å²	144	84%	0.838	82%	0.822	S	S	*	*			cis	-142.2	-167.1	29.3	41.8	-21.7	0	0	0	115.1
267	G	24.2	Very low	28.8	Very low	78 Å²	78	143.1 Å²	143.1	80%	0.804	82%	0.818	S	S	*	*			trans	179.5	149.1	168.2	0	0	0	0	0	114.4
268	R	26.2	Very low	28.7	Very low	242 Å²	242	146.5 Å²	146.5	91%	0.913	82%	0.819	S	S	*	*			trans	-145.9	130.9	-176	169.2	-168	-178.5	-173.7	2.8	110.4
269	T	26.4	Very low	28.6	Very low	154 Å²	154	143.5 Å²	143.5	95%	0.945	81%	0.812	S	S	*	*			trans	170.2	166.9	149.9	30.5	0	0	0	0	111.2
270	G	26.4	Very low	28.5	Very low	77 Å²	77	146.2 Å²	146.2	79%	0.794	81%	0.812	S	S	*	*			trans	123.2	92.7	152.1	0	0	0	0	0	118.3
271	S	29.3	Very low	28.9	Very low	121 Å²	121	143.7 Å²	143.7	85%	0.846	81%	0.812	S	S	*	*			trans	-81.2	178.2	150.8	-25	0	0	0	0	108.8
272	S	30.8	Very low	28.8	Very low	116 Å²	116	137.3 Å²	137.3	81%	0.811	81%	0.808	S	S	*	*			cis	-175.2	165.1	0	37.3	0	0	0	0	107.8
273	S	27.1	Very low	28.8	Very low	125 Å²	125	136.4 Å²	136.4	87%	0.874	81%	0.808	S	S	*	*			trans	-152.3	156.2	152.3	61	0	0	0	0	112.9
274	S	34.2	Very low	28.6	Very low	112 Å²	112	132.2 Å²	132.2	78%	0.783	80%	0.803	S	S	*	*			trans	-153.5	162.4	-169.5	57.5	0	0	0	0	112.1
275	R	28.9	Very low	28.4	Very low	210 Å²	210	132.5 Å²	132.5	79%	0.792	80%	0.804	S	S	*	*			trans	-167.1	173.2	153.7	-65.3	-148.6	87.9	84.5	17.8	108
276	D	33.5	Very low	28.3	Very low	113 Å²	113	130.5 Å²	130.5	60%	0.604	80%	0.802	S	S	*	*			cis	-170.5	167.9	-37.1	-89.4	7.9	0	0	0	105.5
277	D	31	Very low	27.9	Very low	137 Å²	137	130.6 Å²	130.6	73%	0.733	80%	0.803	S	S	*	*			cis	-171.9	-174.4	-37.6	-174.4	27.8	0	0	0	108.5
278	L	27	Very low	27.8	Very low	136 Å²	136	134.6 Å²	134.6	71%	0.712	81%	0.805	S	S	*	*			trans	89.1	100	155.3	-58.9	173.7	0	0	0	122
279	S	28.9	Very low	28.2	Very low	109 Å²	109	127.9 Å²	127.9	76%	0.762	79%	0.792	S	S	*	*				96.4	149.6	119.8	-59.9	0	0	0	0	124
280	T	26.9	Very low	27.9	Very low	137 Å²	137	127.2 Å²	127.2	84%	0.84	78%	0.783	S	S	*	*			trans	-140.2	-166.5	-163.5	47.3	0	0	0	0	110.7
281	P	34.3	Very low	27.8	Very low	127 Å²	127	130 Å²	130	83%	0.825	78%	0.784	S	S	*	*			cis	-141.1	-156	8.2	46.5	-25.3	0	0	0	115.9
282	G	25.8	Very low	27.5	Very low	70 Å²	70	128.9 Å²	128.9	72%	0.722	78%	0.783	S	S	*	*			trans	145.1	83	149.2	0	0	0	0	0	122.9
283	S	25.8	Very low	27	Very low	117 Å²	117	131 Å²	131	82%	0.818	79%	0.785	S	S	*	*			trans	42.9	112	138.7	-52.3	0	0	0	0	127.4
284	S	23.3	Very low	27.2	Very low	109 Å²	109	130.7 Å²	130.7	76%	0.762	78%	0.78	S	S	*	*				73.1	146.2	111.5	-48	0	0	0	0	127.8
285	I	24	Very low	26.7	Very low	168 Å²	168	134.3 Å²	134.3	86%	0.862	79%	0.785	S	S	*	*			trans	102.5	145.9	154.2	-51.1	-168	0	0	0	119.9
286	L	23.3	Very low	26.5	Very low	154 Å²	154	129.9 Å²	129.9	81%	0.806	79%	0.786	S	S	*	*			trans	-122.9	160	-172.9	-74.4	170.4	0	0	0	111.4
287	P	29.3	Very low	26.1	Very low	131 Å²	131	130.7 Å²	130.7	85%	0.851	80%	0.797	S	S	*	*				-155.2	-172.4	77.6	41.3	-18.4	0	0	0	118.7
288	L	22.5	Very low	25.8	Very low	161 Å²	161	128 Å²	128	84%	0.843	80%	0.801	S	S	*	*			trans	-75.8	-177.8	-179.3	-106.3	72.2	0	0	0	115
289	P	33.3	Very low	25.8	Very low	101 Å²	101	133.4 Å²	133.4	66%	0.656	81%	0.812	S	S	*	*			cis	-142.7	-178.2	15	43.2	-23.7	0	0	0	119.7
290	N	21.3	Very low	25.7	Very low	141 Å²	141	133.9 Å²	133.9	75%	0.754	81%	0.811	S	S	*	*			trans	89	108.2	145.6	-80.1	6.3	0	0	0	126.1
291	V	23.2	Very low	25.5	Very low	134 Å²	134	133 Å²	133	81%	0.812	81%	0.811	S	S	*	*				58.4	113.8	122.2	-176.3	0	0	0	0	122.2
292	A	22.4	Very low	25.2	Very low	99 Å²	99	133.4 Å²	133.4	82%	0.818	81%	0.806	S	S	*	*				176.6	141.4	119.2	0	0	0	0	0	114.4
293	D	20.7	Very low	25.6	Very low	159 Å²	159	137.8 Å²	137.8	85%	0.85	80%	0.802	S	S	*	*			trans	-80.2	-177	178.6	-73.9	-59.4	0	0	0	115.1
294	P	32.2	Very low	26	Very low	119 Å²	119	136 Å²	136	77%	0.773	79%	0.786	S	S	*	*			cis	-132.8	172.6	-7	20.6	4.4	0	0	0	116.8
295	E	23	Very low	26.5	Very low	189 Å²	189	135.6 Å²	135.6	88%	0.883	78%	0.775	S	S	*	*			trans	-89	172.2	166	-77.6	-170.2	93.4	0	0	114.8
296	S	24.3	Very low	27.1	Very low	117 Å²	117	128.8 Å²	128.8	82%	0.818	74%	0.74	S	S	*	*			trans	-154.1	147.9	158.8	-80.3	0	0	0	0	113
297	P	26.6	Very low	27.6	Very low	130 Å²	130	123 Å²	123	84%	0.844	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-102.8	153.2	-151.3	-0.1	22.7	0	0	0	116
298	G	24.1	Very low	28.1	Very low	79 Å²	79	122.5 Å²	122.5	81%	0.814	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-84.6	145.5	175.3	0	0	0	0	0	114.4
299	R	27.6	Very low	28.8	Very low	251 Å²	251	117.1 Å²	117.1	95%	0.947	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-72	137.5	-178.4	-65.1	177.2	176.3	172.7	-1.4	113.3
300	T	25	Very low	29	Very low	119 Å²	119	113.8 Å²	113.8	73%	0.73	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-102.8	150.5	152	55.4	0	0	0	0	110
301	S	23.9	Very low	29.8	Very low	119 Å²	119	111.6 Å²	111.6	83%	0.832	63%	0.626	S	S	*	*			trans	-124.1	91.1	-173.5	173.7	0	0	0	0	110.2
302	N	27.1	Very low	30.3	Very low	135 Å²	135	110 Å²	110	72%	0.722	61%	0.61	S	S	*	*			trans	-96.3	116.6	-174.4	-59.7	-41	0	0	0	111
303	Y	34	Very low	30.8	Very low	162 Å²	162	108.9 Å²	108.9	64%	0.635	61%	0.607	S	S	*	*			trans	-143	133.8	165.9	-154.5	-98.3	0	0	0	110.2
304	V	34.7	Very low	31.4	Very low	80 Å²	80	108 Å²	108	49%	0.485	60%	0.601	S	S	.	*			trans	-101	137.4	-173.5	-179.9	0	0	0	0	110	I306 F309	V304-I306 PolarHBondContact O-N 3.44Å; V304-F309 HydrophobicContact CG1-CE2 3.85Å; V304-F309 HydrophobicContact CG1-CZ 4.03Å
305	N	34.2	Very low	31	Very low	99 Å²	99	108.1 Å²	108.1	53%	0.529	59%	0.591	S	S	.	*			trans	-80.1	108.5	-174	-174.6	5.7	0	0	0	112.2	D307 F308	N305-D307 PolarHBondContact O-N 3.46Å; N305-D307 WeakPolarHBondContact OD1-CB 3.46Å; N305-D307 PolarHBondContact OD1-N 3.04Å; N305-F308 WeakPolarHBondContact O-CB 3.36Å; N305-F308 PolarHBondContact O-N 2.83Å
306	I	35.8	Very low	31.3	Very low	26 Å²	26	105.2 Å²	105.2	13%	0.133	59%	0.587	C	S	.	*	H	α-helix	trans	-58.3	-31.7	177.5	-61.4	173.1	0	0	0	111.9	V304 F308 F309 L310	V304-I306 PolarHBondContact O-N 3.44Å; I306-F308 VanDerWaalsContact C-N 3.25Å; I306-F308 PolarHBondContact O-N 3.41Å; I306-F309 PolarHBondContact O-N 3.34Å; I306-F309 VanDerWaalsContact O-N 3.16Å; I306-L310 PolarHBondContact O-N 2.92Å
307	D	33.6	Very low	31.6	Very low	32 Å²	32	108.4 Å²	108.4	17%	0.171	58%	0.581	C	S	.	*	H	α-helix	trans	-65	-28.1	-179.2	-71.2	-33.8	0	0	0	113.2	N305 F309 L310 Q311 R564	N305-D307 PolarHBondContact O-N 3.46Å; N305-D307 WeakPolarHBondContact OD1-CB 3.46Å; N305-D307 PolarHBondContact OD1-N 3.04Å; D307-F309 PolarHBondContact O-N 3.03Å; D307-L310 PolarHBondContact O-N 3.43Å; D307-Q311 WeakPolarHBondContact O-CB 3.32Å; D307-Q311 PolarHBondContact O-N 2.8Å; D307-R564 IonicContact OD1-CZ 3.82Å; D307-R564 VanDerWaalsContact OD1-CZ 3.25Å; D307-R564 IonicContact OD1-NE 2.85Å; D307-R564 IonicContact OD1-NH1 2.59Å; D307-R564 PolarHBondContact OD1-NH1 2.98Å; D307-R564 IonicContact OD1-NH2 3.94Å; D307-R564 WeakPolarHBondContact OD2-CD 3.37Å; D307-R564 VanDerWaalsContact OD2-CG 3.29Å; D307-R564 WeakPolarHBondContact OD2-CG 3.26Å; D307-R564 IonicContact OD2-CZ 3Å; D307-R564 IonicContact OD2-NE 3.96Å; D307-R564 PolarHBondContact OD2-NE 3.31Å; D307-R564 VanDerWaalsContact OD2-NE 3.17Å; D307-R564 IonicContact OD2-NH1 2.88Å
308	F	40	Very low	31.5	Very low	120 Å²	120	108.1 Å²	108.1	53%	0.526	58%	0.582	S	S	.	*	H	α-helix	trans	-60.2	-36.5	176.2	177.1	-108.4	0	0	0	111.5	N305 I306 Q312	N305-F308 WeakPolarHBondContact O-CB 3.36Å; N305-F308 PolarHBondContact O-N 2.83Å; I306-F308 VanDerWaalsContact C-N 3.25Å; I306-F308 PolarHBondContact O-N 3.41Å; F308-Q312 WeakPolarHBondContact O-CG 3.42Å
309	F	38.7	Very low	31.5	Very low	48 Å²	48	110 Å²	110	21%	0.211	58%	0.583	C	S	.	*	H	α-helix	trans	-80.3	-33.7	179.9	-54.9	-52.3	0	0	0	112.6	V304 I306 D307 Q311 L514	V304-F309 HydrophobicContact CG1-CE2 3.85Å; V304-F309 HydrophobicContact CG1-CZ 4.03Å; I306-F309 PolarHBondContact O-N 3.34Å; I306-F309 VanDerWaalsContact O-N 3.16Å; D307-F309 PolarHBondContact O-N 3.03Å; F309-Q311 VanDerWaalsContact C-N 3.31Å; F309-Q311 PolarHBondContact O-N 3.27Å; F309-L514 HydrophobicContact CD1-CD1 4.13Å; F309-L514 HydrophobicContact CD1-CD2 3.71Å; F309-L514 HydrophobicContact CD1-CG 4.26Å; F309-L514 HydrophobicContact CE1-CD1 3.81Å; F309-L514 HydrophobicContact CE1-CD2 4.24Å; F309-L514 HydrophobicContact CE1-CG 4.44Å; F309-L514 HydrophobicContact CG-CD2 4.37Å; F309-L514 HydrophobicContact CZ-CD1 4.4Å
310	L	37.8	Very low	31.4	Very low	31 Å²	31	103.8 Å²	103.8	16%	0.162	58%	0.577	C	S	.	*	H	α-helix	trans	-69.1	-27.4	171.9	-70.1	177	0	0	0	113.1	I306 D307 N548	I306-L310 PolarHBondContact O-N 2.92Å; D307-L310 PolarHBondContact O-N 3.43Å; L310-N548 WeakPolarHBondContact CD1-ND2 3.45Å
311	Q	36.3	Very low	31.5	Very low	96 Å²	96	105.8 Å²	105.8	45%	0.449	58%	0.583	S	S	.	*	H	α-helix	trans	-76.3	-28.4	178.8	-140.2	79.3	68.5	0	0	113	D307 F309 G313 I314	D307-Q311 WeakPolarHBondContact O-CB 3.32Å; D307-Q311 PolarHBondContact O-N 2.8Å; F309-Q311 VanDerWaalsContact C-N 3.31Å; F309-Q311 PolarHBondContact O-N 3.27Å; Q311-G313 VanDerWaalsContact C-N 3.27Å; Q311-G313 PolarHBondContact O-N 2.81Å; Q311-I314 PolarHBondContact O-N 2.67Å
312	Q	35.2	Very low	31.5	Very low	101 Å²	101	108.3 Å²	108.3	47%	0.472	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.6	-20.9	-172.1	-83.9	-175.7	6.3	0	0	114.8	F308 I314	F308-Q312 WeakPolarHBondContact O-CG 3.42Å; Q312-I314 PolarHBondContact O-N 3.31Å; Q312-I314 VanDerWaalsContact O-N 3.11Å
313	G	32.3	Very low	31.5	Very low	74 Å²	74	107.1 Å²	107.1	76%	0.763	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	6.5	176.7	0	0	0	0	0	115.7	Q311	Q311-G313 VanDerWaalsContact C-N 3.27Å; Q311-G313 PolarHBondContact O-N 2.81Å
314	I	32.1	Very low	31	Very low	140 Å²	140	107.4 Å²	107.4	72%	0.718	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	-17.2	-172.1	-58.6	-178.4	0	0	0	113.6	Q311 Q312	Q311-I314 PolarHBondContact O-N 2.67Å; Q312-I314 PolarHBondContact O-N 3.31Å; Q312-I314 VanDerWaalsContact O-N 3.11Å
315	E	23.9	Very low	30.6	Very low	122 Å²	122	107 Å²	107	57%	0.57	61%	0.613	S	S	*	*			trans	-109.7	85	-177.6	-78.8	-168.1	-156.3	0	0	114	R317	E315-R317 PolarHBondContact O-N 2.71Å; E315-R317 IonicContact OE2-CZ 3.22Å; E315-R317 IonicContact OE2-NE 3.59Å; E315-R317 IonicContact OE2-NH2 3.24Å; E315-R317 PolarHBondContact OE2-NH2 2.94Å
316	T	29.5	Very low	30.2	Very low	128 Å²	128	111.9 Å²	111.9	79%	0.785	63%	0.633	S	S	*	*			trans	-70.5	108.9	163.8	53.4	0	0	0	0	110.5
317	R	30.7	Very low	29.8	Very low	185 Å²	185	118.5 Å²	118.5	70%	0.698	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-93.4	127.9	172.6	-73	-167.3	-176.6	154.9	13.5	112.4	E315	E315-R317 PolarHBondContact O-N 2.71Å; E315-R317 IonicContact OE2-CZ 3.22Å; E315-R317 IonicContact OE2-NE 3.59Å; E315-R317 IonicContact OE2-NH2 3.24Å; E315-R317 PolarHBondContact OE2-NH2 2.94Å
318	S	24.7	Very low	29.5	Very low	124 Å²	124	125.6 Å²	125.6	87%	0.867	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-68.8	148	159.3	-52.2	0	0	0	0	110.7
319	S	24.9	Very low	28.9	Very low	119 Å²	119	122 Å²	122	83%	0.832	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-82.8	147	-178.7	45.5	0	0	0	0	113.3
320	S	24.7	Very low	28.3	Very low	119 Å²	119	125.6 Å²	125.6	83%	0.832	71%	0.714	S	S	*	*			trans	-151.1	130.4	159.4	164.2	0	0	0	0	105.5
321	L	27.1	Very low	28	Very low	161 Å²	161	129.1 Å²	129.1	84%	0.843	74%	0.739	S	S	*	*			trans	-103.3	135.9	-179.2	-74	164.5	0	0	0	109
322	D	23.5	Very low	27.9	Very low	173 Å²	173	132 Å²	132	93%	0.925	76%	0.756	S	S	*	*			trans	-155.4	154.6	146.3	-96	-38.5	0	0	0	107.3
323	S	27.6	Very low	28	Very low	110 Å²	110	133 Å²	133	77%	0.769	76%	0.764	S	S	*	*			trans	-140.1	137.2	-159.8	172.8	0	0	0	0	112.9
324	D	24.6	Very low	28.1	Very low	167 Å²	167	140.9 Å²	140.9	89%	0.893	77%	0.771	S	S	*	*			trans	-161	159	148.5	-101.9	-30.1	0	0	0	110.7
325	G	26.4	Very low	27.8	Very low	71 Å²	71	141 Å²	141	73%	0.732	78%	0.778	S	S	*	*			trans	-77.9	-176.8	-168.8	0	0	0	0	0	116.8
326	E	25	Very low	28.1	Very low	203 Å²	203	141.4 Å²	141.4	95%	0.949	78%	0.783	S	S	*	*			cis	-136.7	-171	15.8	-63.1	-175.5	122.5	0	0	113.9
327	Y	28	Very low	28	Very low	164 Å²	164	140 Å²	140	64%	0.643	78%	0.779	S	S	*	*			trans	-91.9	173.8	-162.4	-156.1	-147	0	0	0	112.1	G329 P331	Y327-G329 WeakPolarHBondContact CE2-O 3.28Å; Y327-G329 PolarHBondContact OH-O 2.87Å; Y327-P331 WeakPolarHBondContact OH-CD 3.41Å
328	E	25.7	Very low	27.8	Very low	182 Å²	182	139.8 Å²	139.8	85%	0.85	79%	0.785	S	S	*	*				-151.8	149.6	50	-130.1	-170.3	169.1	0	0	115.3
329	G	27.5	Very low	27.9	Very low	43 Å²	43	140.2 Å²	140.2	44%	0.443	78%	0.778	S	S	.	*			trans	157.3	127.4	171.1	0	0	0	0	0	112.6	Y327	Y327-G329 WeakPolarHBondContact CE2-O 3.28Å; Y327-G329 PolarHBondContact OH-O 2.87Å
330	P	27.7	Very low	28	Very low	124 Å²	124	142.2 Å²	142.2	81%	0.805	78%	0.779	S	S	*	*			trans	-73.1	127.9	-162.1	27.3	-35.3	0	0	0	114
331	P	31.5	Very low	28.1	Very low	105 Å²	105	145 Å²	145	68%	0.682	78%	0.779	S	S	*	*			trans	-87.6	136.4	175.6	33.6	-33.1	0	0	0	112.3	Y327	Y327-P331 WeakPolarHBondContact OH-CD 3.41Å
332	I	33.6	Very low	28	Very low	156 Å²	156	142.7 Å²	142.7	80%	0.8	77%	0.772	S	S	*	*			trans	-121.5	135.8	158.3	-65.5	179.8	0	0	0	107.1
333	L	36.6	Very low	28	Very low	124 Å²	124	140 Å²	140	65%	0.649	76%	0.761	S	S	*	*	S	Bend	trans	60.7	70.3	-177.4	-69.8	175.6	0	0	0	117	S369	L333-S369 WeakPolarHBondContact CD1-OG 3.47Å; L333-S369 WeakPolarHBondContact CD2-OG 3.31Å
334	R	33.7	Very low	27.9	Very low	238 Å²	238	140.1 Å²	140.1	90%	0.898	76%	0.758	S	S	*	*			trans	-160.3	72.8	140.9	-137.3	170.1	-75.4	129.1	-2.8	115.4
335	T	26.5	Very low	27.9	Very low	142 Å²	142	140.1 Å²	140.1	87%	0.871	75%	0.753	S	S	*	*			trans	-142.1	98.9	170.3	34.1	0	0	0	0	111.7
336	I	31	Very low	27.8	Very low	131 Å²	131	142.4 Å²	142.4	67%	0.672	75%	0.753	S	S	*	*			trans	-136	115.6	157.8	-60.3	-179	0	0	0	105.4
337	S	26	Very low	27.8	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	75%	0.746	S	S	*	*			trans	-77.5	162.2	175.1	-159	0	0	0	0	110.9
338	H	28.2	Very low	28.1	Very low	180 Å²	180	137.4 Å²	137.4	83%	0.833	76%	0.755	S	S	*	*			trans	-136.7	107.2	174.9	-113.2	-64.6	0	0	0	109.4
339	D	26.3	Very low	28.3	Very low	132 Å²	132	131.8 Å²	131.8	71%	0.706	75%	0.746	S	S	*	*			trans	-127.7	128.9	168.6	-71.4	-70.4	0	0	0	108
340	D	25.9	Very low	28.6	Very low	162 Å²	162	135 Å²	135	87%	0.866	77%	0.769	S	S	*	*				169.5	145.5	128	-95.3	-21.7	0	0	0	113.1
341	Q	26.8	Very low	28.8	Very low	176 Å²	176	135.6 Å²	135.6	82%	0.822	76%	0.764	S	S	*	*			trans	-120.7	157.5	158.1	-53.7	179.6	21.1	0	0	105.2
342	T	25.3	Very low	28.9	Very low	113 Å²	113	142.7 Å²	142.7	69%	0.693	78%	0.777	S	S	*	*			cis	-168.1	-177.3	32.2	-27.7	0	0	0	0	110.2
343	T	24.4	Very low	29	Very low	116 Å²	116	144.7 Å²	144.7	71%	0.712	78%	0.78	S	S	*	*			trans	74.6	96.2	149.8	35	0	0	0	0	122.5
344	T	25.1	Very low	28.9	Very low	113 Å²	113	144 Å²	144	69%	0.693	78%	0.78	S	S	*	*				60.9	121.6	119.2	54.8	0	0	0	0	124.6
345	Q	25.1	Very low	28.9	Very low	168 Å²	168	138.2 Å²	138.2	79%	0.785	78%	0.775	S	S	*	*				101.8	130	128.1	-80	-176.7	46	0	0	123.5
346	T	24.6	Very low	29.6	Very low	119 Å²	119	133 Å²	133	73%	0.73	75%	0.75	S	S	*	*			trans	80.2	120.9	144.8	47.4	0	0	0	0	124.1
347	T	24.9	Very low	30.5	Very low	133 Å²	133	132.5 Å²	132.5	82%	0.816	75%	0.749	S	S	*	*			trans	83.7	129.9	151.6	-20.3	0	0	0	0	118.9
348	P	33.5	Very low	32	Very low	128 Å²	128	131.5 Å²	131.5	83%	0.831	75%	0.746	S	S	*	*			trans	-100.3	132	-175.5	36.2	-32.2	0	0	0	114.5
349	G	29.6	Very low	33.6	Very low	64 Å²	64	128.2 Å²	128.2	66%	0.66	73%	0.726	S	S	*	*			trans	-175.2	130.6	169.7	0	0	0	0	0	115.1	I351	G349-I351 PolarHBondContact O-N 3.01Å
350	A	34.9	Very low	35.5	Very low	112 Å²	112	122.4 Å²	122.4	93%	0.926	70%	0.698	S	S	*	*			trans	53.7	45.4	154	0	0	0	0	0	120.6
351	I	30.7	Very low	37.5	Very low	135 Å²	135	117.4 Å²	117.4	69%	0.692	68%	0.679	S	S	*	*			trans	-122.5	104.9	161.5	-53.3	-179.1	0	0	0	111.4	G349 V354	G349-I351 PolarHBondContact O-N 3.01Å; I351-V354 HydrophobicContact CG2-CB 4.02Å; I351-V354 HydrophobicContact CG2-CG2 3.95Å
352	R	35.1	Very low	39.6	Very low	255 Å²	255	112.8 Å²	112.8	96%	0.962	66%	0.656	S	S	*	*			trans	-125.2	15	172.8	-98.7	-168.2	-178.1	-173.4	2.4	114.5
353	K	35.3	Very low	41.9	Very low	198 Å²	198	107.9 Å²	107.9	86%	0.861	63%	0.626	S	S	*	*	S	Bend	trans	-130.7	0.1	-175.6	-84.8	-165.8	171.8	-172.2	0	117.5
354	V	33.3	Very low	44.3	Very low	108 Å²	108	106.4 Å²	106.4	66%	0.655	61%	0.607	S	S	*	*	S	Bend	trans	-107.2	-21.9	-172.2	-174.9	0	0	0	0	114	I351 G356	I351-V354 HydrophobicContact CG2-CB 4.02Å; I351-V354 HydrophobicContact CG2-CG2 3.95Å; V354-G356 PolarHBondContact O-N 3.36Å
355	C	34	Very low	46.8	Very low	117 Å²	117	104.7 Å²	104.7	79%	0.791	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-21.9	-174.5	-170.5	0	0	0	0	114.6	N357	C355-N357 PolarHBondContact O-N 3.34Å
356	G	41.1	Very low	49.4	Very low	33 Å²	33	98.4 Å²	98.4	34%	0.34	57%	0.571	S	S	.	*	H	α-helix	trans	-66.3	-35	-176.1	0	0	0	0	0	114.5	V354 A358 R359 G360	V354-G356 PolarHBondContact O-N 3.36Å; G356-A358 PolarHBondContact O-N 2.95Å; G356-R359 PolarHBondContact O-N 3.34Å; G356-G360 PolarHBondContact O-N 2.86Å
357	N	51	Low	52.1	Low	121 Å²	121	92.8 Å²	92.8	65%	0.647	54%	0.536	S	S	*	.	H	α-helix	trans	-60.7	-40.1	-167.7	-69.4	26.8	0	0	0	113.3	C355 G360 A361	C355-N357 PolarHBondContact O-N 3.34Å; N357-G360 PolarHBondContact O-N 3.33Å; N357-A361 WeakPolarHBondContact O-CB 3.34Å; N357-A361 PolarHBondContact O-N 2.83Å
358	A	56.6	Low	54.9	Low	79 Å²	79	89.9 Å²	89.9	65%	0.653	52%	0.522	S	S	*	.	H	α-helix	trans	-67.4	-42	-179.1	0	0	0	0	0	112.8	G356 A361 K362	G356-A358 PolarHBondContact O-N 2.95Å; A358-A361 PolarHBondContact O-N 3.03Å; A358-K362 PolarHBondContact O-N 3.03Å; A358-K362 VanDerWaalsContact O-N 3.17Å
359	R	63.2	Low	57.2	Low	110 Å²	110	85.3 Å²	85.3	42%	0.415	49%	0.493	S	S	.	.	H	α-helix	trans	-67.2	-44.2	174.3	-174	-174.6	-63.8	137.8	7.5	110.8	G356 A361 K362 I363 E522	G356-R359 PolarHBondContact O-N 3.34Å; R359-A361 PolarHBondContact O-N 3.22Å; R359-K362 PolarHBondContact O-N 3.47Å; R359-K362 VanDerWaalsContact O-N 3.1Å; R359-I363 HydrophobicContact CG-CD1 3.79Å; R359-I363 HydrophobicContact CG-CG1 4.21Å; R359-I363 PolarHBondContact O-N 2.84Å; R359-E522 WeakPolarHBondContact CD-O 3.32Å
360	G	64.9	Low	59.9	Low	11 Å²	11	82.8 Å²	82.8	11%	0.113	46%	0.464	C	S	.	.	H	α-helix	trans	-56.7	-39.2	176.9	0	0	0	0	0	112.4	G356 N357 R364	G356-G360 PolarHBondContact O-N 2.86Å; N357-G360 PolarHBondContact O-N 3.33Å; G360-R364 VanDerWaalsContact O-CB 3.29Å; G360-R364 WeakPolarHBondContact O-CB 3.32Å; G360-R364 VanDerWaalsContact O-CG 3.3Å; G360-R364 WeakPolarHBondContact O-CG 3.48Å; G360-R364 PolarHBondContact O-N 2.94Å; G360-R364 PolarHBondContact O-NE 3.41Å
361	A	67.9	Low	62.4	Low	56 Å²	56	78.4 Å²	78.4	46%	0.463	43%	0.425	S	S	.	.	H	α-helix	trans	-64.1	-45.9	173.2	0	0	0	0	0	112.8	N357 A358 R359 R364 S365	N357-A361 WeakPolarHBondContact O-CB 3.34Å; N357-A361 PolarHBondContact O-N 2.83Å; A358-A361 PolarHBondContact O-N 3.03Å; R359-A361 PolarHBondContact O-N 3.22Å; A361-R364 PolarHBondContact O-N 2.95Å; A361-S365 PolarHBondContact O-N 3.29Å
362	K	71.2	Confident	64.9	Low	80 Å²	80	77.6 Å²	77.6	35%	0.348	42%	0.418	S	S	.	.	H	α-helix	trans	-64.2	-42.7	178.2	-168.4	178.4	178.4	-169.4	0	112.4	A358 R359 S365 I366 E522	A358-K362 PolarHBondContact O-N 3.03Å; A358-K362 VanDerWaalsContact O-N 3.17Å; R359-K362 PolarHBondContact O-N 3.47Å; R359-K362 VanDerWaalsContact O-N 3.1Å; K362-S365 WeakPolarHBondContact O-CB 3.38Å; K362-S365 PolarHBondContact O-N 2.95Å; K362-I366 HydrophobicContact CG-CD1 4.42Å; K362-I366 WeakPolarHBondContact O-CG1 3.35Å; K362-I366 PolarHBondContact O-N 3.4Å; K362-E522 VanDerWaalsContact CE-OE2 3.28Å; K362-E522 WeakPolarHBondContact CE-OE2 3.42Å; K362-E522 IonicContact NZ-OE1 2.87Å; K362-E522 PolarHBondContact NZ-OE1 3.36Å; K362-E522 IonicContact NZ-OE2 2.67Å; K362-E522 PolarHBondContact NZ-OE2 3.45Å
363	I	72.9	Confident	67.4	Low	10 Å²	10	67.3 Å²	67.3	5%	0.051	39%	0.385	C	S	.	.	H	α-helix	trans	-64.5	-43.1	175.1	-67.1	176.9	0	0	0	110.6	R359 S365 I366 L367 I441	R359-I363 HydrophobicContact CG-CD1 3.79Å; R359-I363 HydrophobicContact CG-CG1 4.21Å; R359-I363 PolarHBondContact O-N 2.84Å; I363-S365 VanDerWaalsContact C-N 3.32Å; I363-S365 PolarHBondContact O-N 3.13Å; I363-I366 PolarHBondContact O-N 2.86Å; I363-L367 VanDerWaalsContact O-CB 3.22Å; I363-L367 WeakPolarHBondContact O-CB 3.24Å; I363-L367 PolarHBondContact O-N 2.69Å; I363-I441 HydrophobicContact CG2-CD1 4.34Å
364	R	76.3	Confident	70	Confident	85 Å²	85	57.9 Å²	57.9	32%	0.321	34%	0.344	S	S	.	.	H	α-helix	trans	-62.2	-34.8	174.5	-78.8	-179.5	-81.9	-107	1.2	113	G360 A361 S368 V439	G360-R364 VanDerWaalsContact O-CB 3.29Å; G360-R364 WeakPolarHBondContact O-CB 3.32Å; G360-R364 VanDerWaalsContact O-CG 3.3Å; G360-R364 WeakPolarHBondContact O-CG 3.48Å; G360-R364 PolarHBondContact O-N 2.94Å; G360-R364 PolarHBondContact O-NE 3.41Å; A361-R364 PolarHBondContact O-N 2.95Å; R364-S368 WeakPolarHBondContact O-CB 3.39Å; R364-S368 PolarHBondContact O-N 2.87Å; R364-V439 HydrophobicContact CG-CG2 4.14Å
365	S	77.1	Confident	72.7	Confident	76 Å²	76	54.1 Å²	54.1	53%	0.531	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-47.9	173.7	-179.9	0	0	0	0	112.2	A361 K362 I363 L367 S368 S369	A361-S365 PolarHBondContact O-N 3.29Å; K362-S365 WeakPolarHBondContact O-CB 3.38Å; K362-S365 PolarHBondContact O-N 2.95Å; I363-S365 VanDerWaalsContact C-N 3.32Å; I363-S365 PolarHBondContact O-N 3.13Å; S365-L367 PolarHBondContact O-N 3.19Å; S365-S368 PolarHBondContact O-N 2.85Å; S365-S369 PolarHBondContact O-N 2.79Å
366	I	78.9	Confident	75.2	Confident	36 Å²	36	51.7 Å²	51.7	19%	0.185	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-47.2	174.7	-66.6	165.3	0	0	0	110.3	K362 I363 S368 S369 I370 L519 E522	K362-I366 HydrophobicContact CG-CD1 4.42Å; K362-I366 WeakPolarHBondContact O-CG1 3.35Å; K362-I366 PolarHBondContact O-N 3.4Å; I363-I366 PolarHBondContact O-N 2.86Å; I366-S368 PolarHBondContact O-N 3.46Å; I366-S369 PolarHBondContact O-N 3.35Å; I366-I370 HydrophobicContact CG2-CD1 3.7Å; I366-I370 HydrophobicContact CG2-CG1 4.48Å; I366-I370 WeakPolarHBondContact O-CG1 3.35Å; I366-I370 PolarHBondContact O-N 2.93Å; I366-L519 HydrophobicContact CG2-CD2 3.76Å; I366-E522 HydrophobicContact CD1-CG 4.01Å
367	L	82.8	Confident	77.5	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-39.7	-179.5	-177.3	55.6	0	0	0	112.8	I363 S365 S369 I370 I371 L428 I431 V432 V439 I441	I363-L367 VanDerWaalsContact O-CB 3.22Å; I363-L367 WeakPolarHBondContact O-CB 3.24Å; I363-L367 PolarHBondContact O-N 2.69Å; S365-L367 PolarHBondContact O-N 3.19Å; L367-S369 PolarHBondContact O-N 2.97Å; L367-I370 PolarHBondContact O-N 3.42Å; L367-I371 HydrophobicContact CD1-CD1 4.35Å; L367-I371 HydrophobicContact CD1-CG1 4.45Å; L367-I371 HydrophobicContact CG-CD1 4.15Å; L367-I371 VanDerWaalsContact O-CG1 3.32Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 3.44Å; L367-L428 HydrophobicContact CD1-CB 4.19Å; L367-L428 HydrophobicContact CD1-CD1 3.82Å; L367-L428 HydrophobicContact CD1-CD2 3.91Å; L367-L428 HydrophobicContact CD1-CG 4.17Å; L367-I431 HydrophobicContact CD2-CG2 4.13Å; L367-V432 HydrophobicContact CD2-CG2 3.43Å; L367-V432 VanDerWaalsContact CD2-CG2 3.43Å; L367-V432 HydrophobicContact CG-CG2 3.63Å; L367-V439 HydrophobicContact CD2-CG1 4.19Å; L367-I441 HydrophobicContact CD2-CG2 4Å
368	S	82.3	Confident	79.5	Confident	73 Å²	73	45.5 Å²	45.5	51%	0.51	26%	0.259	S	S	.	.	H	α-helix	trans	-59.1	-44.5	173	-179.4	0	0	0	0	112	R364 S365 I366 I370 I371 Q372	R364-S368 WeakPolarHBondContact O-CB 3.39Å; R364-S368 PolarHBondContact O-N 2.87Å; S365-S368 PolarHBondContact O-N 2.85Å; I366-S368 PolarHBondContact O-N 3.46Å; S368-I370 PolarHBondContact O-N 2.96Å; S368-I371 PolarHBondContact O-N 3.21Å; S368-Q372 PolarHBondContact O-N 2.91Å
369	S	82.3	Confident	81	Confident	31 Å²	31	45.7 Å²	45.7	22%	0.217	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-36.6	176.1	-166.3	0	0	0	0	112.8	L333 S365 I366 L367 Q372 S373	L333-S369 WeakPolarHBondContact CD1-OG 3.47Å; L333-S369 WeakPolarHBondContact CD2-OG 3.31Å; S365-S369 PolarHBondContact O-N 2.79Å; I366-S369 PolarHBondContact O-N 3.35Å; L367-S369 PolarHBondContact O-N 2.97Å; S369-Q372 PolarHBondContact O-N 2.91Å; S369-S373 PolarHBondContact O-N 3.42Å
370	I	85.8	Confident	82.3	Confident	11 Å²	11	40.6 Å²	40.6	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-48.3	173.6	-65.3	160.1	0	0	0	110.1	I366 L367 S368 Q372 S373 E374 L428 F445 V515 L519	I366-I370 HydrophobicContact CG2-CD1 3.7Å; I366-I370 HydrophobicContact CG2-CG1 4.48Å; I366-I370 WeakPolarHBondContact O-CG1 3.35Å; I366-I370 PolarHBondContact O-N 2.93Å; L367-I370 PolarHBondContact O-N 3.42Å; S368-I370 PolarHBondContact O-N 2.96Å; I370-Q372 VanDerWaalsContact C-N 3.31Å; I370-Q372 PolarHBondContact O-N 3.25Å; I370-S373 PolarHBondContact O-N 2.82Å; I370-S373 VanDerWaalsContact O-N 3.13Å; I370-S373 PolarHBondContact O-OG 3.49Å; I370-E374 VanDerWaalsContact O-CB 3.27Å; I370-E374 WeakPolarHBondContact O-CB 3.4Å; I370-E374 PolarHBondContact O-N 3.49Å; I370-L428 HydrophobicContact CG2-CD1 3.79Å; I370-F445 HydrophobicContact CD1-CZ 4.02Å; I370-F445 HydrophobicContact CG2-CZ 4.21Å; I370-V515 HydrophobicContact CD1-CG1 3.46Å; I370-V515 VanDerWaalsContact CD1-CG1 3.46Å; I370-V515 HydrophobicContact CD1-CG2 4.48Å; I370-V515 HydrophobicContact CG1-CG1 4.06Å; I370-V515 HydrophobicContact CG1-CG2 4.27Å; I370-L519 HydrophobicContact CD1-CD1 4.38Å; I370-L519 HydrophobicContact CD1-CD2 4.44Å
371	I	88.3	Confident	83.5	Confident	21 Å²	21	40.1 Å²	40.1	11%	0.108	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-40.2	176.6	-71.8	167	0	0	0	111.9	L367 S368 E374 T375 L425 L428 K429 V432	L367-I371 HydrophobicContact CD1-CD1 4.35Å; L367-I371 HydrophobicContact CD1-CG1 4.45Å; L367-I371 HydrophobicContact CG-CD1 4.15Å; L367-I371 VanDerWaalsContact O-CG1 3.32Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 3.44Å; S368-I371 PolarHBondContact O-N 3.21Å; I371-E374 PolarHBondContact O-N 2.96Å; I371-T375 WeakPolarHBondContact O-CB 3.43Å; I371-T375 PolarHBondContact O-N 3.4Å; I371-T375 PolarHBondContact O-OG1 3.05Å; I371-L425 HydrophobicContact CG2-CD1 4.06Å; I371-L428 HydrophobicContact CD1-CB 3.93Å; I371-L428 HydrophobicContact CG1-CB 3.65Å; I371-L428 HydrophobicContact CG1-CD1 4.07Å; I371-K429 HydrophobicContact CG2-CG 3.96Å; I371-V432 HydrophobicContact CD1-CB 4.16Å; I371-V432 HydrophobicContact CD1-CG2 3.51Å
372	Q	83.1	Confident	84.6	Confident	118 Å²	118	40.4 Å²	40.4	55%	0.551	22%	0.216	S	C	*	.	H	α-helix	trans	-63.6	-47.6	174.9	-175.5	61.7	20.8	0	0	111.2	S368 S369 I370 E374 T375 I376	S368-Q372 PolarHBondContact O-N 2.91Å; S369-Q372 PolarHBondContact O-N 2.91Å; I370-Q372 VanDerWaalsContact C-N 3.31Å; I370-Q372 PolarHBondContact O-N 3.25Å; Q372-E374 VanDerWaalsContact C-N 3.29Å; Q372-E374 PolarHBondContact O-N 3.34Å; Q372-T375 PolarHBondContact O-N 3.27Å; Q372-I376 HydrophobicContact CG-CD1 4.45Å; Q372-I376 WeakPolarHBondContact O-CG1 3.35Å; Q372-I376 PolarHBondContact O-N 3.36Å
373	S	86.5	Confident	85.3	Confident	39 Å²	39	39.4 Å²	39.4	27%	0.273	21%	0.212	S	C	.	.	H	α-helix	trans	-64.8	-32.9	178.1	80.3	0	0	0	0	113.2	S369 I370 Y377 R508	S369-S373 PolarHBondContact O-N 3.42Å; I370-S373 PolarHBondContact O-N 2.82Å; I370-S373 VanDerWaalsContact O-N 3.13Å; I370-S373 PolarHBondContact O-OG 3.49Å; S373-Y377 PolarHBondContact O-N 3.23Å; S373-R508 PolarHBondContact OG-NH1 3.15Å; S373-R508 PolarHBondContact OG-NH2 2.92Å; S373-R508 VanDerWaalsContact OG-NH2 3.13Å
374	E	90.9	Very high	86.1	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-77.5	-37.7	-179.4	-168.7	67.2	-102	0	0	111.1	I370 I371 Q372 I376 Y377 V378 H421 F424 L425 R508	I370-E374 VanDerWaalsContact O-CB 3.27Å; I370-E374 WeakPolarHBondContact O-CB 3.4Å; I370-E374 PolarHBondContact O-N 3.49Å; I371-E374 PolarHBondContact O-N 2.96Å; Q372-E374 VanDerWaalsContact C-N 3.29Å; Q372-E374 PolarHBondContact O-N 3.34Å; E374-I376 PolarHBondContact O-N 3.43Å; E374-Y377 PolarHBondContact O-N 2.86Å; E374-Y377 VanDerWaalsContact OE1-CD1 3.31Å; E374-Y377 WeakPolarHBondContact OE1-CD1 3.44Å; E374-V378 WeakPolarHBondContact O-CB 3.43Å; E374-V378 WeakPolarHBondContact O-CG2 2.85Å; E374-V378 PolarHBondContact O-N 3.4Å; E374-H421 IonicContact OE1-CE1 2.72Å; E374-H421 IonicContact OE1-CG 3.03Å; E374-H421 IonicContact OE1-ND1 2.78Å; E374-H421 PolarHBondContact OE1-ND1 2.85Å; E374-H421 IonicContact OE2-ND1 3.88Å; E374-F424 HydrophobicContact CG-CD1 4Å; E374-F424 HydrophobicContact CG-CE1 4.36Å; E374-F424 WeakPolarHBondContact OE2-CD1 3.38Å; E374-F424 VanDerWaalsContact OE2-CE1 3.31Å; E374-F424 WeakPolarHBondContact OE2-CE1 3.47Å; E374-L425 HydrophobicContact CB-CD1 3.98Å; E374-L425 HydrophobicContact CG-CB 3.94Å; E374-L425 HydrophobicContact CG-CD1 3.99Å; E374-L425 HydrophobicContact CG-CG 4.42Å; E374-R508 IonicContact OE1-CZ 3.87Å; E374-R508 IonicContact OE1-NE 3.72Å; E374-R508 IonicContact OE1-NH2 2.77Å; E374-R508 IonicContact OE2-CZ 2.66Å; E374-R508 IonicContact OE2-NE 2.98Å; E374-R508 PolarHBondContact OE2-NE 2.95Å; E374-R508 IonicContact OE2-NH2 3.3Å; E374-R508 PolarHBondContact OE2-NH2 3.41Å
375	T	90	Very high	86.8	Confident	28 Å²	28	36 Å²	36	17%	0.172	20%	0.199	C	C	.	.	H	α-helix	trans	-58.2	-48.2	172.7	-58.1	0	0	0	0	110.8	I371 Q372 Y377 V378 E379 K429	I371-T375 WeakPolarHBondContact O-CB 3.43Å; I371-T375 PolarHBondContact O-N 3.4Å; I371-T375 PolarHBondContact O-OG1 3.05Å; Q372-T375 PolarHBondContact O-N 3.27Å; T375-Y377 VanDerWaalsContact C-N 3.29Å; T375-Y377 PolarHBondContact O-N 3.46Å; T375-V378 PolarHBondContact O-N 2.75Å; T375-E379 WeakPolarHBondContact O-CG 3.08Å; T375-E379 PolarHBondContact O-N 3.09Å; T375-K429 PolarHBondContact OG1-NZ 3.43Å
376	I	85.8	Confident	87.3	Confident	67 Å²	67	35.3 Å²	35.3	34%	0.344	19%	0.188	S	C	.	.	H	α-helix	trans	-62.2	-35.6	176.8	-63.6	163.9	0	0	0	111.9	Q372 E374 C380 L490	Q372-I376 HydrophobicContact CG-CD1 4.45Å; Q372-I376 WeakPolarHBondContact O-CG1 3.35Å; Q372-I376 PolarHBondContact O-N 3.36Å; E374-I376 PolarHBondContact O-N 3.43Å; I376-C380 PolarHBondContact O-N 2.92Å; I376-C380 VanDerWaalsContact O-N 3.12Å; I376-C380 PolarHBondContact O-SG 3.08Å; I376-L490 HydrophobicContact CG2-CD2 4.03Å
377	Y	90.2	Very high	87.6	Confident	10 Å²	10	33.6 Å²	33.6	4%	0.039	18%	0.179	C	C	.	.	H	α-helix	trans	-74	-42	178.7	179.4	-110.9	0	0	0	112.9	S373 E374 T375 E379 C380 L381 H421 Y455 K504 P505 R508	S373-Y377 PolarHBondContact O-N 3.23Å; E374-Y377 PolarHBondContact O-N 2.86Å; E374-Y377 VanDerWaalsContact OE1-CD1 3.31Å; E374-Y377 WeakPolarHBondContact OE1-CD1 3.44Å; T375-Y377 VanDerWaalsContact C-N 3.29Å; T375-Y377 PolarHBondContact O-N 3.46Å; Y377-E379 VanDerWaalsContact C-N 3.28Å; Y377-E379 PolarHBondContact O-N 2.92Å; Y377-C380 WeakPolarHBondContact O-CB 3.46Å; Y377-C380 PolarHBondContact O-N 2.94Å; Y377-C380 VanDerWaalsContact O-N 3.13Å; Y377-L381 HydrophobicContact CD1-CD1 3.87Å; Y377-L381 HydrophobicContact CE1-CD1 3.32Å; Y377-L381 HydrophobicContact CE1-CG 4.22Å; Y377-L381 HydrophobicContact CE2-CD1 4.33Å; Y377-L381 HydrophobicContact CE2-CG 4.38Å; Y377-L381 PolarHBondContact O-N 3.36Å; Y377-H421 HydrophobicContact CD1-CB 4.26Å; Y377-H421 AromaticContact CD1-CG 3.9Å; Y377-H421 AromaticContact CD1-ND1 3.58Å; Y377-H421 HydrophobicContact CE1-CB 4.17Å; Y377-H421 AromaticContact CE1-CD2 3.82Å; Y377-H421 AromaticContact CE1-CE1 3.67Å; Y377-H421 AromaticContact CE1-CG 3.54Å; Y377-H421 AromaticContact CE1-ND1 3.44Å; Y377-H421 WeakPolarHBondContact CE1-ND1 3.11Å; Y377-H421 AromaticContact CE1-NE2 3.88Å; Y377-Y455 PolarHBondContact OH-OH 3.31Å; Y377-K504 HydrophobicContact CD2-CB 4.08Å; Y377-K504 HydrophobicContact CE2-CB 3.83Å; Y377-P505 HydrophobicContact CE2-CG 4.43Å; Y377-P505 VanDerWaalsContact OH-CA 3.28Å; Y377-P505 WeakPolarHBondContact OH-CA 3.39Å; Y377-P505 WeakPolarHBondContact OH-CB 3.28Å; Y377-P505 WeakPolarHBondContact OH-CG 3.48Å; Y377-R508 HydrophobicContact CD1-CG 3.79Å; Y377-R508 HydrophobicContact CD2-CB 4.11Å; Y377-R508 HydrophobicContact CD2-CG 4.15Å; Y377-R508 HydrophobicContact CE1-CB 4.11Å; Y377-R508 HydrophobicContact CE1-CG 3.64Å; Y377-R508 HydrophobicContact CE2-CB 3.7Å; Y377-R508 HydrophobicContact CE2-CG 4.05Å; Y377-R508 HydrophobicContact CG-CB 4.49Å; Y377-R508 HydrophobicContact CG-CG 4.02Å
378	V	93.3	Very high	87.9	Confident	14 Å²	14	35.2 Å²	35.2	9%	0.085	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-36.3	172.9	170.7	0	0	0	0	111	E374 T375 L381 N382 Y418 H421 L425	E374-V378 WeakPolarHBondContact O-CB 3.43Å; E374-V378 WeakPolarHBondContact O-CG2 2.85Å; E374-V378 PolarHBondContact O-N 3.4Å; T375-V378 PolarHBondContact O-N 2.75Å; V378-L381 PolarHBondContact O-N 3.15Å; V378-N382 WeakPolarHBondContact O-CB 3.47Å; V378-N382 PolarHBondContact O-N 3.05Å; V378-Y418 HydrophobicContact CG1-CD2 4.47Å; V378-Y418 HydrophobicContact CG1-CE2 3.91Å; V378-H421 HydrophobicContact CG2-CB 3.83Å; V378-H421 WeakPolarHBondContact CG2-O 3.22Å; V378-L425 HydrophobicContact CB-CD2 4.09Å; V378-L425 HydrophobicContact CG1-CD2 4.38Å; V378-L425 HydrophobicContact CG2-CB 4.37Å; V378-L425 HydrophobicContact CG2-CD2 3.93Å
379	E	88.5	Confident	88.2	Confident	82 Å²	82	38.4 Å²	38.4	38%	0.383	19%	0.191	S	C	.	.	H	α-helix	trans	-63.4	-41.2	171.2	-75.5	171.1	-169.9	0	0	112.7	T375 Y377 L381 N382 K383	T375-E379 WeakPolarHBondContact O-CG 3.08Å; T375-E379 PolarHBondContact O-N 3.09Å; Y377-E379 VanDerWaalsContact C-N 3.28Å; Y377-E379 PolarHBondContact O-N 2.92Å; E379-L381 PolarHBondContact O-N 3Å; E379-N382 PolarHBondContact O-N 3.26Å; E379-K383 WeakPolarHBondContact O-CB 3.48Å; E379-K383 VanDerWaalsContact O-CG 3.3Å; E379-K383 WeakPolarHBondContact O-CG 3.34Å; E379-K383 PolarHBondContact O-N 3.46Å
380	C	88.9	Confident	88.3	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.027	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-41.7	173.2	-67.6	0	0	0	0	112	I376 Y377 K383 M384 L501 K504	I376-C380 PolarHBondContact O-N 2.92Å; I376-C380 VanDerWaalsContact O-N 3.12Å; I376-C380 PolarHBondContact O-SG 3.08Å; Y377-C380 WeakPolarHBondContact O-CB 3.46Å; Y377-C380 PolarHBondContact O-N 2.94Å; Y377-C380 VanDerWaalsContact O-N 3.13Å; C380-K383 PolarHBondContact O-N 3.12Å; C380-M384 HydrophobicContact CB-CE 4.39Å; C380-M384 PolarHBondContact O-N 3.29Å; C380-L501 HydrophobicContact CB-CD2 3.83Å; C380-K504 HydrophobicContact CB-CG 4.16Å
381	L	91.1	Very high	88.3	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.4	-42.8	176.4	-74.1	167.8	0	0	0	112.4	Y377 V378 E379 K383 M384 M385 I414 L417 Y418 H421	Y377-L381 HydrophobicContact CD1-CD1 3.87Å; Y377-L381 HydrophobicContact CE1-CD1 3.32Å; Y377-L381 HydrophobicContact CE1-CG 4.22Å; Y377-L381 HydrophobicContact CE2-CD1 4.33Å; Y377-L381 HydrophobicContact CE2-CG 4.38Å; Y377-L381 PolarHBondContact O-N 3.36Å; V378-L381 PolarHBondContact O-N 3.15Å; E379-L381 PolarHBondContact O-N 3Å; L381-K383 PolarHBondContact O-N 3.42Å; L381-M384 HydrophobicContact CD2-CE 3.79Å; L381-M384 HydrophobicContact CD2-SD 4.5Å; L381-M384 HydrophobicContact CG-CE 4.25Å; L381-M384 WeakPolarHBondContact O-CB 3.49Å; L381-M384 PolarHBondContact O-N 3.35Å; L381-M384 VanDerWaalsContact O-N 3.13Å; L381-M385 WeakPolarHBondContact O-CG 3.49Å; L381-M385 PolarHBondContact O-N 2.79Å; L381-I414 HydrophobicContact CD2-CD1 4.42Å; L381-I414 HydrophobicContact CD2-CG2 4.41Å; L381-L417 HydrophobicContact CD2-CB 4.26Å; L381-Y418 HydrophobicContact CB-CD2 3.73Å; L381-Y418 HydrophobicContact CB-CG 4.44Å; L381-H421 HydrophobicContact CD1-CB 4.17Å
382	N	90.4	Very high	88.2	Confident	63 Å²	63	41.2 Å²	41.2	34%	0.337	21%	0.206	S	C	.	.	H	α-helix	trans	-56.2	-36.9	171.3	-176.8	5.7	0	0	0	111.4	V378 E379 M385 Q386 Y418	V378-N382 WeakPolarHBondContact O-CB 3.47Å; V378-N382 PolarHBondContact O-N 3.05Å; E379-N382 PolarHBondContact O-N 3.26Å; N382-M385 CarbonylContact O-C 3.54Å; N382-M385 WeakPolarHBondContact O-CB 3.42Å; N382-M385 PolarHBondContact O-N 3.14Å; N382-Q386 WeakPolarHBondContact O-CG 3.42Å; N382-Q386 PolarHBondContact O-N 2.76Å; N382-Q386 PolarHBondContact O-NE2 3.06Å; N382-Q386 PolarHBondContact OD1-NE2 3.42Å; N382-Y418 HydrophobicContact CB-CD2 4.45Å; N382-Y418 HydrophobicContact CB-CE2 3.75Å
383	K	86.7	Confident	88.2	Confident	59 Å²	59	38.7 Å²	38.7	26%	0.257	21%	0.205	S	C	.	.	H	α-helix	trans	-73.3	-37.1	176.7	-73.8	-81.3	179.4	-167.4	0	112.9	E379 C380 L381 M385 Q386 Y387 L488	E379-K383 WeakPolarHBondContact O-CB 3.48Å; E379-K383 VanDerWaalsContact O-CG 3.3Å; E379-K383 WeakPolarHBondContact O-CG 3.34Å; E379-K383 PolarHBondContact O-N 3.46Å; C380-K383 PolarHBondContact O-N 3.12Å; L381-K383 PolarHBondContact O-N 3.42Å; K383-M385 VanDerWaalsContact C-N 3.29Å; K383-M385 PolarHBondContact O-N 3.47Å; K383-Q386 WeakPolarHBondContact O-CB 2.9Å; K383-Q386 PolarHBondContact O-N 2.76Å; K383-Q386 VanDerWaalsContact O-N 3.15Å; K383-Y387 VanDerWaalsContact O-CD2 3.32Å; K383-Y387 WeakPolarHBondContact O-CD2 3.32Å; K383-Y387 PolarHBondContact O-N 2.79Å; K383-L488 HydrophobicContact CB-CD1 3.66Å; K383-L488 HydrophobicContact CB-CG 4.03Å; K383-L488 HydrophobicContact CD-CD1 4.43Å; K383-L488 HydrophobicContact CD-CD2 4.28Å; K383-L488 HydrophobicContact CD-CG 3.88Å; K383-L488 HydrophobicContact CG-CD1 3.64Å; K383-L488 HydrophobicContact CG-CD2 4.04Å; K383-L488 HydrophobicContact CG-CG 3.62Å
384	M	89.5	Confident	88	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.4	-38.1	166.4	-69.4	-179.6	-106.9	0	0	112	C380 L381 Q386 Y387 K388 F411 I414 L501 L502 K504	C380-M384 HydrophobicContact CB-CE 4.39Å; C380-M384 PolarHBondContact O-N 3.29Å; L381-M384 HydrophobicContact CD2-CE 3.79Å; L381-M384 HydrophobicContact CD2-SD 4.5Å; L381-M384 HydrophobicContact CG-CE 4.25Å; L381-M384 WeakPolarHBondContact O-CB 3.49Å; L381-M384 PolarHBondContact O-N 3.35Å; L381-M384 VanDerWaalsContact O-N 3.13Å; M384-Q386 VanDerWaalsContact C-N 3.33Å; M384-Q386 PolarHBondContact O-N 3.03Å; M384-Y387 WeakPolarHBondContact O-CB 3.32Å; M384-Y387 PolarHBondContact O-N 3.19Å; M384-K388 PolarHBondContact O-N 2.88Å; M384-F411 WeakPolarHBondContact O-CE1 3.42Å; M384-I414 HydrophobicContact CB-CG2 3.86Å; M384-I414 HydrophobicContact SD-CD1 3.8Å; M384-L501 HydrophobicContact CE-CB 4.11Å; M384-L501 WeakPolarHBondContact CE-O 3.16Å; M384-L501 HydrophobicContact CG-CB 3.75Å; M384-L501 HydrophobicContact CG-CD1 4.48Å; M384-L501 HydrophobicContact SD-CB 4.05Å; M384-L502 HydrophobicContact SD-CD2 4.34Å; M384-K504 HydrophobicContact CE-CB 4.37Å
385	M	90.3	Very high	87.3	Confident	22 Å²	22	39.3 Å²	39.3	11%	0.108	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-29.8	173.2	-71.8	-57.8	-65.4	0	0	113.5	L381 N382 K383 K388 K389 I414 D415 Y418	L381-M385 WeakPolarHBondContact O-CG 3.49Å; L381-M385 PolarHBondContact O-N 2.79Å; N382-M385 CarbonylContact O-C 3.54Å; N382-M385 WeakPolarHBondContact O-CB 3.42Å; N382-M385 PolarHBondContact O-N 3.14Å; K383-M385 VanDerWaalsContact C-N 3.29Å; K383-M385 PolarHBondContact O-N 3.47Å; M385-K388 HydrophobicContact CE-CD 4.39Å; M385-K388 HydrophobicContact SD-CD 4.22Å; M385-K389 WeakPolarHBondContact O-CB 3.34Å; M385-K389 WeakPolarHBondContact O-CD 3.38Å; M385-K389 VanDerWaalsContact O-CG 3.26Å; M385-K389 WeakPolarHBondContact O-CG 3.42Å; M385-K389 PolarHBondContact O-N 3.22Å; M385-K389 VanDerWaalsContact O-N 3.09Å; M385-I414 HydrophobicContact CG-CG2 4.34Å; M385-I414 HydrophobicContact SD-CG2 3.96Å; M385-D415 VanDerWaalsContact CE-OD1 3.28Å; M385-D415 WeakPolarHBondContact CE-OD1 3.19Å; M385-D415 HydrophobicContact SD-CB 4.39Å; M385-Y418 HydrophobicContact CG-CG 4.3Å
386	Q	87	Confident	86.6	Confident	62 Å²	62	43.6 Å²	43.6	29%	0.29	23%	0.231	S	C	.	.	H	α-helix	trans	-71.2	-41.7	171	-72.9	161.2	51	0	0	111.4	N382 K383 M384 K389 A390	N382-Q386 WeakPolarHBondContact O-CG 3.42Å; N382-Q386 PolarHBondContact O-N 2.76Å; N382-Q386 PolarHBondContact O-NE2 3.06Å; N382-Q386 PolarHBondContact OD1-NE2 3.42Å; K383-Q386 WeakPolarHBondContact O-CB 2.9Å; K383-Q386 PolarHBondContact O-N 2.76Å; K383-Q386 VanDerWaalsContact O-N 3.15Å; M384-Q386 VanDerWaalsContact C-N 3.33Å; M384-Q386 PolarHBondContact O-N 3.03Å; Q386-K389 PolarHBondContact O-N 3.02Å; Q386-A390 WeakPolarHBondContact O-CB 3.31Å; Q386-A390 PolarHBondContact O-N 3.41Å
387	Y	86	Confident	86.1	Confident	1 Å²	1	44 Å²	44	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-49.9	170.6	-85.4	-70.6	0	0	0	111.8	K383 M384 K389 A390 I391 V483 I486 L498 L501	K383-Y387 VanDerWaalsContact O-CD2 3.32Å; K383-Y387 WeakPolarHBondContact O-CD2 3.32Å; K383-Y387 PolarHBondContact O-N 2.79Å; M384-Y387 WeakPolarHBondContact O-CB 3.32Å; M384-Y387 PolarHBondContact O-N 3.19Å; Y387-K389 PolarHBondContact O-N 3.03Å; Y387-A390 PolarHBondContact O-N 3.47Å; Y387-I391 WeakPolarHBondContact O-CB 3.32Å; Y387-I391 WeakPolarHBondContact O-CG1 3.31Å; Y387-I391 PolarHBondContact O-N 3.46Å; Y387-V483 WeakPolarHBondContact CE1-O 3.32Å; Y387-V483 PolarHBondContact OH-O 3.05Å; Y387-I486 HydrophobicContact CD1-CB 4.02Å; Y387-I486 HydrophobicContact CD1-CD1 3.93Å; Y387-I486 HydrophobicContact CD1-CG1 4.4Å; Y387-I486 HydrophobicContact CE1-CB 3.61Å; Y387-I486 HydrophobicContact CE1-CD1 4.27Å; Y387-I486 HydrophobicContact CE1-CG1 4.25Å; Y387-I486 HydrophobicContact CE1-CG2 4.44Å; Y387-I486 HydrophobicContact CE2-CB 4.33Å; Y387-I486 HydrophobicContact CE2-CG2 4.46Å; Y387-I486 PolarHBondContact OH-O 2.81Å; Y387-I486 VanDerWaalsContact OH-O 3.09Å; Y387-L498 HydrophobicContact CD2-CD1 4.01Å; Y387-L498 HydrophobicContact CE2-CD1 4.44Å; Y387-L498 HydrophobicContact CG-CD1 4.05Å; Y387-L501 HydrophobicContact CD2-CD1 4.06Å; Y387-L501 HydrophobicContact CE2-CD1 3.59Å
388	K	89.1	Confident	85.1	Confident	34 Å²	34	49.3 Å²	49.3	15%	0.148	28%	0.276	C	S	.	.	H	α-helix	trans	-53.3	-54.8	176.8	-172.1	-177.3	-179.3	-177.7	0	111	M384 M385 A390 I391 H392 E407 F411 D415	M384-K388 PolarHBondContact O-N 2.88Å; M385-K388 HydrophobicContact CE-CD 4.39Å; M385-K388 HydrophobicContact SD-CD 4.22Å; K388-A390 VanDerWaalsContact C-N 3.35Å; K388-A390 PolarHBondContact O-N 2.83Å; K388-I391 PolarHBondContact O-N 3.06Å; K388-H392 VanDerWaalsContact O-CB 3.31Å; K388-H392 WeakPolarHBondContact O-CB 3.38Å; K388-H392 PolarHBondContact O-N 3.34Å; K388-E407 WeakPolarHBondContact CE-OE1 3.38Å; K388-E407 VanDerWaalsContact CG-OE1 3.22Å; K388-E407 WeakPolarHBondContact CG-OE1 3.47Å; K388-F411 HydrophobicContact CB-CB 4.41Å; K388-F411 HydrophobicContact CB-CD1 3.93Å; K388-F411 HydrophobicContact CB-CD2 3.96Å; K388-F411 HydrophobicContact CB-CE1 4.19Å; K388-F411 HydrophobicContact CB-CE2 4.23Å; K388-F411 HydrophobicContact CB-CG 3.82Å; K388-F411 HydrophobicContact CB-CZ 4.35Å; K388-F411 HydrophobicContact CD-CB 3.91Å; K388-F411 HydrophobicContact CD-CG 4.24Å; K388-F411 HydrophobicContact CG-CB 4.06Å; K388-F411 HydrophobicContact CG-CD1 4.47Å; K388-F411 HydrophobicContact CG-CD2 3.9Å; K388-F411 HydrophobicContact CG-CG 3.88Å; K388-D415 IonicContact NZ-OD1 2.75Å; K388-D415 PolarHBondContact NZ-OD1 2.98Å; K388-D415 IonicContact NZ-OD2 2.67Å; K388-D415 PolarHBondContact NZ-OD2 3.35Å
389	K	88.1	Confident	83.9	Confident	140 Å²	140	55.7 Å²	55.7	61%	0.609	31%	0.305	S	S	*	.	H	α-helix	trans	-58.6	-41	179	-72.8	169.7	-177.6	176.5	0	113.3	M385 Q386 Y387 A393	M385-K389 WeakPolarHBondContact O-CB 3.34Å; M385-K389 WeakPolarHBondContact O-CD 3.38Å; M385-K389 VanDerWaalsContact O-CG 3.26Å; M385-K389 WeakPolarHBondContact O-CG 3.42Å; M385-K389 PolarHBondContact O-N 3.22Å; M385-K389 VanDerWaalsContact O-N 3.09Å; Q386-K389 PolarHBondContact O-N 3.02Å; Y387-K389 PolarHBondContact O-N 3.03Å; K389-A393 WeakPolarHBondContact O-CB 3.26Å; K389-A393 PolarHBondContact O-N 2.63Å
390	A	84.8	Confident	83.1	Confident	34 Å²	34	55.6 Å²	55.6	28%	0.281	31%	0.311	S	S	.	.	H	α-helix	trans	-69.3	-35.1	178.8	0	0	0	0	0	112.9	Q386 Y387 K388 I482 I486	Q386-A390 WeakPolarHBondContact O-CB 3.31Å; Q386-A390 PolarHBondContact O-N 3.41Å; Y387-A390 PolarHBondContact O-N 3.47Å; K388-A390 VanDerWaalsContact C-N 3.35Å; K388-A390 PolarHBondContact O-N 2.83Å; A390-I482 HydrophobicContact CB-CG2 4.37Å; A390-I486 HydrophobicContact CB-CD1 3.41Å; A390-I486 VanDerWaalsContact CB-CD1 3.41Å
391	I	85	Confident	82.5	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-73.4	-45.5	175.2	-71.6	162.1	0	0	0	110.2	Y387 K388 A393 T394 I402 E407 F411 F479 I482	Y387-I391 WeakPolarHBondContact O-CB 3.32Å; Y387-I391 WeakPolarHBondContact O-CG1 3.31Å; Y387-I391 PolarHBondContact O-N 3.46Å; K388-I391 PolarHBondContact O-N 3.06Å; I391-A393 VanDerWaalsContact C-N 3.3Å; I391-A393 PolarHBondContact O-N 2.95Å; I391-T394 WeakPolarHBondContact O-CA 3.49Å; I391-T394 WeakPolarHBondContact O-CB 3.44Å; I391-T394 PolarHBondContact O-N 2.92Å; I391-T394 PolarHBondContact O-OG1 2.81Å; I391-I402 HydrophobicContact CG2-CD1 3.45Å; I391-I402 VanDerWaalsContact CG2-CD1 3.45Å; I391-I402 HydrophobicContact CG2-CG1 3.91Å; I391-E407 HydrophobicContact CG2-CG 4.27Å; I391-F411 HydrophobicContact CD1-CE2 3.69Å; I391-F411 HydrophobicContact CD1-CZ 3.75Å; I391-F479 HydrophobicContact CD1-CE2 3.75Å; I391-F479 HydrophobicContact CD1-CZ 4.29Å; I391-F479 HydrophobicContact CG1-CE2 4.13Å; I391-F479 HydrophobicContact CG2-CE2 4.42Å; I391-I482 HydrophobicContact CG1-CG2 4.07Å
392	H	86.8	Confident	82.2	Confident	88 Å²	88	56.4 Å²	56.4	41%	0.407	32%	0.316	S	S	.	.	H	α-helix	trans	-57.3	-41.4	177.1	-167.5	76.4	0	0	0	112.5	K388 T394 L395 E407	K388-H392 VanDerWaalsContact O-CB 3.31Å; K388-H392 WeakPolarHBondContact O-CB 3.38Å; K388-H392 PolarHBondContact O-N 3.34Å; H392-T394 PolarHBondContact O-N 2.92Å; H392-L395 WeakPolarHBondContact O-CB 3.43Å; H392-L395 PolarHBondContact O-N 3.11Å; H392-E407 WeakPolarHBondContact CA-OE2 3.5Å; H392-E407 WeakPolarHBondContact CB-OE2 3.38Å; H392-E407 IonicContact CE1-OE2 2.71Å; H392-E407 IonicContact CG-OE1 3.46Å; H392-E407 IonicContact CG-OE2 3.5Å; H392-E407 IonicContact ND1-OE1 3.03Å; H392-E407 IonicContact ND1-OE2 2.84Å; H392-E407 PolarHBondContact ND1-OE2 2.85Å
393	A	83.9	Confident	82	Confident	64 Å²	64	60.9 Å²	60.9	53%	0.529	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-16.7	174.9	0	0	0	0	0	113.9	K389 I391	K389-A393 WeakPolarHBondContact O-CB 3.26Å; K389-A393 PolarHBondContact O-N 2.63Å; I391-A393 VanDerWaalsContact C-N 3.3Å; I391-A393 PolarHBondContact O-N 2.95Å
394	T	80.8	Confident	82	Confident	13 Å²	13	64 Å²	64	8%	0.08	34%	0.343	C	S	.	.	H	α-helix	trans	-84.6	-22.6	170.9	74.2	0	0	0	0	113.6	I391 H392 T396 T397 P400 V401 I482	I391-T394 WeakPolarHBondContact O-CA 3.49Å; I391-T394 WeakPolarHBondContact O-CB 3.44Å; I391-T394 PolarHBondContact O-N 2.92Å; I391-T394 PolarHBondContact O-OG1 2.81Å; H392-T394 PolarHBondContact O-N 2.92Å; T394-T396 VanDerWaalsContact C-N 3.25Å; T394-T396 PolarHBondContact O-N 2.87Å; T394-T397 WeakPolarHBondContact O-CG2 3.33Å; T394-T397 PolarHBondContact O-N 3.05Å; T394-P400 WeakPolarHBondContact O-CA 3.4Å; T394-V401 HydrophobicContact CG2-CB 4.36Å; T394-V401 HydrophobicContact CG2-CG2 3.9Å; T394-V401 WeakPolarHBondContact OG1-CB 3.22Å; T394-I482 HydrophobicContact CG2-CD1 3.64Å
395	L	77.6	Confident	81.9	Confident	39 Å²	39	70 Å²	70	20%	0.204	37%	0.372	C	S	.	.	H	α-helix	trans	-68.2	-29.9	174.4	-57.2	-175.5	0	0	0	111.5	H392 T397 P400 I402 E404 E407	H392-L395 WeakPolarHBondContact O-CB 3.43Å; H392-L395 PolarHBondContact O-N 3.11Å; L395-T397 VanDerWaalsContact C-N 3.27Å; L395-T397 PolarHBondContact O-N 2.91Å; L395-P400 HydrophobicContact CD2-CB 4.2Å; L395-I402 HydrophobicContact CD2-CG1 4.27Å; L395-I402 WeakPolarHBondContact CD2-O 3.33Å; L395-E404 HydrophobicContact CD1-CB 4Å; L395-E404 HydrophobicContact CD1-CG 4.28Å; L395-E407 HydrophobicContact CD1-CB 4.48Å; L395-E407 WeakPolarHBondContact CD1-OE2 3.35Å
396	T	74.8	Confident	81.8	Confident	118 Å²	118	70.2 Å²	70.2	72%	0.724	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.5	178.3	-23.7	0	0	0	0	113.9	T394	T394-T396 VanDerWaalsContact C-N 3.25Å; T394-T396 PolarHBondContact O-N 2.87Å
397	T	76.2	Confident	82	Confident	75 Å²	75	67.5 Å²	67.5	46%	0.46	36%	0.359	S	S	.	.	S	Bend	trans	-98.2	162.8	178.5	-164.6	0	0	0	0	112.5	T394 L395 Q399	T394-T397 WeakPolarHBondContact O-CG2 3.33Å; T394-T397 PolarHBondContact O-N 3.05Å; L395-T397 VanDerWaalsContact C-N 3.27Å; L395-T397 PolarHBondContact O-N 2.91Å; T397-Q399 WeakPolarHBondContact CG2-O 3.21Å; T397-Q399 PolarHBondContact O-N 2.79Å
398	S	69.1	Low	82.3	Confident	123 Å²	123	71.3 Å²	71.3	86%	0.86	38%	0.38	S	S	*	.	S	Bend	trans	-62.1	-5.1	-178.8	-42.6	0	0	0	0	115.2
399	Q	66.4	Low	82.4	Confident	148 Å²	148	71.6 Å²	71.6	69%	0.692	39%	0.385	S	S	*	.	S	Bend	trans	-138.6	84.3	176	-65.8	-172.4	7.6	0	0	109.6	T397 V401	T397-Q399 WeakPolarHBondContact CG2-O 3.21Å; T397-Q399 PolarHBondContact O-N 2.79Å; Q399-V401 PolarHBondContact O-N 2.92Å
400	P	72.8	Confident	82.6	Confident	80 Å²	80	65 Å²	65	52%	0.519	36%	0.356	S	S	.	.			trans	-63.3	131.8	179.1	25.8	-34.5	0	0	0	111.3	T394 L395	T394-P400 WeakPolarHBondContact O-CA 3.4Å; L395-P400 HydrophobicContact CD2-CB 4.2Å
401	V	77.2	Confident	83	Confident	10 Å²	10	63.5 Å²	63.5	6%	0.061	34%	0.343	C	S	.	.	S	Bend	trans	-80.8	-31.2	-171.3	169.6	0	0	0	0	112.5	T394 Q399 N476 Q478 F479	T394-V401 HydrophobicContact CG2-CB 4.36Å; T394-V401 HydrophobicContact CG2-CG2 3.9Å; T394-V401 WeakPolarHBondContact OG1-CB 3.22Å; Q399-V401 PolarHBondContact O-N 2.92Å; V401-N476 WeakPolarHBondContact CA-ND2 3.45Å; V401-N476 PolarHBondContact O-ND2 2.86Å; V401-Q478 HydrophobicContact CG1-CB 4.39Å; V401-Q478 HydrophobicContact CG1-CG 4.49Å; V401-Q478 HydrophobicContact CG2-CB 4.21Å; V401-Q478 HydrophobicContact CG2-CG 3.78Å; V401-Q478 VanDerWaalsContact CG2-NE2 3.3Å; V401-F479 HydrophobicContact CG1-CB 3.53Å; V401-F479 HydrophobicContact CG1-CD2 4.11Å; V401-F479 HydrophobicContact CG1-CG 4.33Å
402	I	83.3	Confident	83.4	Confident	10 Å²	10	67.3 Å²	67.3	5%	0.051	36%	0.359	C	S	.	.	S	Bend	trans	-136.8	179.9	169.2	63.9	170	0	0	0	108.5	I391 L395 E406 E407 I410 C472 F479	I391-I402 HydrophobicContact CG2-CD1 3.45Å; I391-I402 VanDerWaalsContact CG2-CD1 3.45Å; I391-I402 HydrophobicContact CG2-CG1 3.91Å; L395-I402 HydrophobicContact CD2-CG1 4.27Å; L395-I402 WeakPolarHBondContact CD2-O 3.33Å; I402-E406 HydrophobicContact CB-CB 4.2Å; I402-E406 HydrophobicContact CD1-CB 4.17Å; I402-E407 HydrophobicContact CD1-CB 3.98Å; I402-I410 HydrophobicContact CD1-CD1 4.22Å; I402-C472 HydrophobicContact CG2-CB 3.73Å; I402-C472 VanDerWaalsContact CG2-SG 3.6Å; I402-F479 HydrophobicContact CD1-CE2 4.13Å; I402-F479 HydrophobicContact CG2-CB 4.5Å; I402-F479 HydrophobicContact CG2-CD2 3.41Å; I402-F479 VanDerWaalsContact CG2-CD2 3.41Å; I402-F479 HydrophobicContact CG2-CE2 3.76Å; I402-F479 HydrophobicContact CG2-CG 4.04Å
403	R	86.5	Confident	83.7	Confident	157 Å²	157	66.1 Å²	66.1	59%	0.592	35%	0.353	S	S	*	.			trans	-85.7	156	168.4	-59.1	-179.1	-178.2	-172.9	-1.1	112	E405 E406 E407	R403-E405 HydrophobicContact CB-CB 4.26Å; R403-E405 WeakPolarHBondContact CD-OE2 3.5Å; R403-E405 IonicContact NH1-OE2 2.67Å; R403-E405 PolarHBondContact NH1-OE2 3.47Å; R403-E405 PolarHBondContact O-N 2.98Å; R403-E406 HydrophobicContact CB-CB 4.34Å; R403-E406 HydrophobicContact CB-CG 4.1Å; R403-E406 PolarHBondContact N-OE2 2.67Å; R403-E406 CarbonylContact O-C 3.57Å; R403-E406 WeakPolarHBondContact O-CA 3.32Å; R403-E406 WeakPolarHBondContact O-CB 3.43Å; R403-E406 PolarHBondContact O-N 3.3Å; R403-E407 PolarHBondContact O-N 3Å
404	E	86.8	Confident	84.2	Confident	126 Å²	126	63.1 Å²	63.1	59%	0.589	33%	0.328	S	S	*	.	H	α-helix	trans	-58.7	-36.5	169.2	-171.3	179.6	175.9	0	0	111.8	L395 E406 E407 N408	L395-E404 HydrophobicContact CD1-CB 4Å; L395-E404 HydrophobicContact CD1-CG 4.28Å; E404-E406 PolarHBondContact O-N 2.85Å; E404-E407 PolarHBondContact O-N 3.23Å; E404-N408 WeakPolarHBondContact O-CB 3.31Å; E404-N408 PolarHBondContact O-N 3.38Å; E404-N408 PolarHBondContact O-ND2 3.27Å
405	E	87.5	Confident	84.8	Confident	126 Å²	126	64.8 Å²	64.8	59%	0.589	34%	0.337	S	S	*	.	H	α-helix	trans	-55.3	-39.5	169.7	-56.8	171.8	144.9	0	0	112.1	R403 T409	R403-E405 HydrophobicContact CB-CB 4.26Å; R403-E405 WeakPolarHBondContact CD-OE2 3.5Å; R403-E405 IonicContact NH1-OE2 2.67Å; R403-E405 PolarHBondContact NH1-OE2 3.47Å; R403-E405 PolarHBondContact O-N 2.98Å; E405-T409 WeakPolarHBondContact O-CB 3.49Å; E405-T409 PolarHBondContact O-N 3.23Å; E405-T409 PolarHBondContact O-OG1 2.96Å
406	E	88.9	Confident	85.6	Confident	26 Å²	26	66.4 Å²	66.4	12%	0.121	34%	0.343	C	S	.	.	H	α-helix	trans	-79.1	-36.8	-178.4	-67	174.1	141.4	0	0	111	I402 R403 E404 T409 I410 T468 K471	I402-E406 HydrophobicContact CB-CB 4.2Å; I402-E406 HydrophobicContact CD1-CB 4.17Å; R403-E406 HydrophobicContact CB-CB 4.34Å; R403-E406 HydrophobicContact CB-CG 4.1Å; R403-E406 PolarHBondContact N-OE2 2.67Å; R403-E406 CarbonylContact O-C 3.57Å; R403-E406 WeakPolarHBondContact O-CA 3.32Å; R403-E406 WeakPolarHBondContact O-CB 3.43Å; R403-E406 PolarHBondContact O-N 3.3Å; E404-E406 PolarHBondContact O-N 2.85Å; E406-T409 PolarHBondContact O-N 2.86Å; E406-I410 WeakPolarHBondContact O-CD1 3.2Å; E406-I410 WeakPolarHBondContact O-CG1 3.44Å; E406-I410 PolarHBondContact O-N 2.81Å; E406-T468 HydrophobicContact CB-CG2 3.72Å; E406-T468 HydrophobicContact CG-CG2 3.92Å; E406-K471 IonicContact OE1-NZ 3.42Å; E406-K471 PolarHBondContact OE1-NZ 2.8Å
407	E	91.2	Very high	86.4	Confident	5 Å²	5	60.8 Å²	60.8	2%	0.023	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-51.5	170.5	-168.9	-162.6	145.4	0	0	110.8	K388 I391 H392 L395 I402 R403 E404 T409 I410 F411	K388-E407 WeakPolarHBondContact CE-OE1 3.38Å; K388-E407 VanDerWaalsContact CG-OE1 3.22Å; K388-E407 WeakPolarHBondContact CG-OE1 3.47Å; I391-E407 HydrophobicContact CG2-CG 4.27Å; H392-E407 WeakPolarHBondContact CA-OE2 3.5Å; H392-E407 WeakPolarHBondContact CB-OE2 3.38Å; H392-E407 IonicContact CE1-OE2 2.71Å; H392-E407 IonicContact CG-OE1 3.46Å; H392-E407 IonicContact CG-OE2 3.5Å; H392-E407 IonicContact ND1-OE1 3.03Å; H392-E407 IonicContact ND1-OE2 2.84Å; H392-E407 PolarHBondContact ND1-OE2 2.85Å; L395-E407 HydrophobicContact CD1-CB 4.48Å; L395-E407 WeakPolarHBondContact CD1-OE2 3.35Å; I402-E407 HydrophobicContact CD1-CB 3.98Å; R403-E407 PolarHBondContact O-N 3Å; E404-E407 PolarHBondContact O-N 3.23Å; E407-T409 PolarHBondContact O-N 3.29Å; E407-I410 PolarHBondContact O-N 2.71Å; E407-F411 HydrophobicContact CG-CD2 3.94Å; E407-F411 HydrophobicContact CG-CE2 4.46Å; E407-F411 PolarHBondContact O-N 3.29Å
408	N	90.9	Very high	87.3	Confident	81 Å²	81	60 Å²	60	43%	0.433	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-30.4	179.5	-76.1	-49.1	0	0	0	112.4	E404 F412	E404-N408 WeakPolarHBondContact O-CB 3.31Å; E404-N408 PolarHBondContact O-N 3.38Å; E404-N408 PolarHBondContact O-ND2 3.27Å; N408-F412 WeakPolarHBondContact O-CA 3.38Å; N408-F412 WeakPolarHBondContact O-CB 3.37Å; N408-F412 PolarHBondContact O-N 2.9Å
409	T	92.4	Very high	88.5	Confident	40 Å²	40	59.3 Å²	59.3	25%	0.245	28%	0.284	C	S	.	.	H	α-helix	trans	-73	-37	172.5	-58.6	0	0	0	0	112.2	E405 E406 E407 N461 N464 A465	E405-T409 WeakPolarHBondContact O-CB 3.49Å; E405-T409 PolarHBondContact O-N 3.23Å; E405-T409 PolarHBondContact O-OG1 2.96Å; E406-T409 PolarHBondContact O-N 2.86Å; E407-T409 PolarHBondContact O-N 3.29Å; T409-N461 PolarHBondContact O-ND2 3.39Å; T409-N464 HydrophobicContact CG2-CB 3.93Å; T409-A465 WeakPolarHBondContact O-CB 3.19Å
410	I	92.3	Very high	89.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-73.8	-45.7	-179.3	-68	165.6	0	0	0	111.4	I402 E406 E407 T468 V469 F479 L498 L502	I402-I410 HydrophobicContact CD1-CD1 4.22Å; E406-I410 WeakPolarHBondContact O-CD1 3.2Å; E406-I410 WeakPolarHBondContact O-CG1 3.44Å; E406-I410 PolarHBondContact O-N 2.81Å; E407-I410 PolarHBondContact O-N 2.71Å; I410-T468 HydrophobicContact CD1-CG2 3.88Å; I410-T468 HydrophobicContact CG1-CG2 3.78Å; I410-V469 HydrophobicContact CB-CG2 4.4Å; I410-V469 HydrophobicContact CD1-CG2 4Å; I410-V469 HydrophobicContact CG1-CG2 3.84Å; I410-V469 HydrophobicContact CG2-CG2 3.68Å; I410-F479 HydrophobicContact CD1-CE2 4.36Å; I410-F479 HydrophobicContact CD1-CZ 3.91Å; I410-L498 HydrophobicContact CG2-CD2 4.4Å; I410-L502 HydrophobicContact CG2-CD1 4.26Å; I410-L502 WeakPolarHBondContact O-CD2 3.45Å
411	F	93.5	Very high	90.8	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.013	23%	0.233	C	C	.	.	S	Bend	trans	-103.6	18.3	-173.5	-59.9	-76.8	0	0	0	114	M384 K388 I391 E407 K413 I414 L498	M384-F411 WeakPolarHBondContact O-CE1 3.42Å; K388-F411 HydrophobicContact CB-CB 4.41Å; K388-F411 HydrophobicContact CB-CD1 3.93Å; K388-F411 HydrophobicContact CB-CD2 3.96Å; K388-F411 HydrophobicContact CB-CE1 4.19Å; K388-F411 HydrophobicContact CB-CE2 4.23Å; K388-F411 HydrophobicContact CB-CG 3.82Å; K388-F411 HydrophobicContact CB-CZ 4.35Å; K388-F411 HydrophobicContact CD-CB 3.91Å; K388-F411 HydrophobicContact CD-CG 4.24Å; K388-F411 HydrophobicContact CG-CB 4.06Å; K388-F411 HydrophobicContact CG-CD1 4.47Å; K388-F411 HydrophobicContact CG-CD2 3.9Å; K388-F411 HydrophobicContact CG-CG 3.88Å; I391-F411 HydrophobicContact CD1-CE2 3.69Å; I391-F411 HydrophobicContact CD1-CZ 3.75Å; E407-F411 HydrophobicContact CG-CD2 3.94Å; E407-F411 HydrophobicContact CG-CE2 4.46Å; E407-F411 PolarHBondContact O-N 3.29Å; F411-K413 PolarHBondContact O-N 2.96Å; F411-I414 HydrophobicContact CB-CB 4.48Å; F411-I414 HydrophobicContact CB-CG1 4.34Å; F411-I414 HydrophobicContact CD1-CG1 4.45Å; F411-I414 WeakPolarHBondContact O-CB 3.46Å; F411-I414 WeakPolarHBondContact O-CG1 3.47Å; F411-I414 PolarHBondContact O-N 2.73Å; F411-I414 VanDerWaalsContact O-N 3.1Å; F411-L498 HydrophobicContact CE1-CD1 3.98Å; F411-L498 HydrophobicContact CZ-CD1 4.17Å; F411-L498 HydrophobicContact CZ-CD2 4.31Å
412	F	93.4	Very high	91.6	Very high	81 Å²	81	51.6 Å²	51.6	36%	0.355	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	123.9	177.9	-170.4	-111.7	0	0	0	111.4	N408 I414 A457 F458 N461	N408-F412 WeakPolarHBondContact O-CA 3.38Å; N408-F412 WeakPolarHBondContact O-CB 3.37Å; N408-F412 PolarHBondContact O-N 2.9Å; F412-I414 PolarHBondContact O-N 2.95Å; F412-I414 VanDerWaalsContact O-N 3.17Å; F412-A457 HydrophobicContact CE1-CB 4.07Å; F412-A457 WeakPolarHBondContact CE1-O 3.34Å; F412-F458 WeakPolarHBondContact O-CD2 3.11Å; F412-N461 HydrophobicContact CB-CB 4.39Å; F412-N461 VanDerWaalsContact CB-ND2 3.26Å; F412-N461 WeakPolarHBondContact CB-ND2 3.12Å; F412-N461 HydrophobicContact CD1-CB 3.59Å; F412-N461 HydrophobicContact CE1-CB 4.16Å; F412-N461 HydrophobicContact CG-CB 4.2Å
413	K	93.3	Very high	92.1	Very high	64 Å²	64	52.6 Å²	52.6	28%	0.278	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	12.8	178.2	-62.7	-50.9	-166.2	-175.1	0	116.9	F411 E416 L417 L454 A457 F458	F411-K413 PolarHBondContact O-N 2.96Å; K413-E416 WeakPolarHBondContact CA-OE2 3.45Å; K413-E416 WeakPolarHBondContact CD-OE1 3.24Å; K413-E416 WeakPolarHBondContact CD-OE2 3.46Å; K413-E416 WeakPolarHBondContact CE-OE1 3.43Å; K413-E416 IonicContact NZ-OE1 2.67Å; K413-E416 PolarHBondContact NZ-OE1 3.35Å; K413-L417 WeakPolarHBondContact O-CB 3.42Å; K413-L417 WeakPolarHBondContact O-CD1 3.44Å; K413-L417 VanDerWaalsContact O-CG 3.22Å; K413-L417 WeakPolarHBondContact O-CG 3.43Å; K413-L417 PolarHBondContact O-N 3.33Å; K413-L454 HydrophobicContact CB-CD1 3.73Å; K413-L454 HydrophobicContact CD-CD1 3.66Å; K413-L454 HydrophobicContact CG-CD1 3.84Å; K413-A457 HydrophobicContact CG-CB 4.28Å; K413-F458 HydrophobicContact CB-CB 4.3Å
414	I	93.8	Very high	92.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.2	-37.7	175.3	-67.2	-61.4	0	0	0	111.7	L381 M384 M385 F411 F412 L417 Y418 F458 L502	L381-I414 HydrophobicContact CD2-CD1 4.42Å; L381-I414 HydrophobicContact CD2-CG2 4.41Å; M384-I414 HydrophobicContact CB-CG2 3.86Å; M384-I414 HydrophobicContact SD-CD1 3.8Å; M385-I414 HydrophobicContact CG-CG2 4.34Å; M385-I414 HydrophobicContact SD-CG2 3.96Å; F411-I414 HydrophobicContact CB-CB 4.48Å; F411-I414 HydrophobicContact CB-CG1 4.34Å; F411-I414 HydrophobicContact CD1-CG1 4.45Å; F411-I414 WeakPolarHBondContact O-CB 3.46Å; F411-I414 WeakPolarHBondContact O-CG1 3.47Å; F411-I414 PolarHBondContact O-N 2.73Å; F411-I414 VanDerWaalsContact O-N 3.1Å; F412-I414 PolarHBondContact O-N 2.95Å; F412-I414 VanDerWaalsContact O-N 3.17Å; I414-L417 PolarHBondContact O-N 3.02Å; I414-Y418 WeakPolarHBondContact O-CB 3.27Å; I414-Y418 PolarHBondContact O-N 2.91Å; I414-F458 HydrophobicContact CD1-CD2 4.23Å; I414-F458 HydrophobicContact CD1-CE2 3.56Å; I414-F458 HydrophobicContact CD1-CZ 4.31Å; I414-F458 HydrophobicContact CG1-CE2 4.36Å; I414-L502 HydrophobicContact CD1-CD2 4.45Å
415	D	92.6	Very high	92.7	Very high	48 Å²	48	40.1 Å²	40.1	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-61.4	-52.6	-179.2	-49	-117.9	0	0	0	110.9	M385 K388 L417 Y418 D419	M385-D415 VanDerWaalsContact CE-OD1 3.28Å; M385-D415 WeakPolarHBondContact CE-OD1 3.19Å; M385-D415 HydrophobicContact SD-CB 4.39Å; K388-D415 IonicContact NZ-OD1 2.75Å; K388-D415 PolarHBondContact NZ-OD1 2.98Å; K388-D415 IonicContact NZ-OD2 2.67Å; K388-D415 PolarHBondContact NZ-OD2 3.35Å; D415-L417 VanDerWaalsContact C-N 3.31Å; D415-L417 PolarHBondContact O-N 3.08Å; D415-Y418 WeakPolarHBondContact O-CB 3.09Å; D415-Y418 PolarHBondContact O-N 3.08Å; D415-Y418 VanDerWaalsContact O-N 3.13Å; D415-D419 PolarHBondContact O-N 3.22Å
416	E	94.1	Very high	92.9	Very high	73 Å²	73	37.3 Å²	37.3	34%	0.341	20%	0.2	S	C	.	.	H	α-helix	trans	-69.7	-27.5	180	-54.2	102.7	124	0	0	112.9	K413 L420 L454	K413-E416 WeakPolarHBondContact CA-OE2 3.45Å; K413-E416 WeakPolarHBondContact CD-OE1 3.24Å; K413-E416 WeakPolarHBondContact CD-OE2 3.46Å; K413-E416 WeakPolarHBondContact CE-OE1 3.43Å; K413-E416 IonicContact NZ-OE1 2.67Å; K413-E416 PolarHBondContact NZ-OE1 3.35Å; E416-L420 WeakPolarHBondContact O-CB 3.44Å; E416-L420 PolarHBondContact O-N 3.35Å; E416-L454 HydrophobicContact CB-CD1 3.86Å; E416-L454 HydrophobicContact CB-CD2 3.85Å
417	L	93.2	Very high	93	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.3	-38.1	170.9	-77.9	172.4	0	0	0	111.6	L381 K413 I414 D415 H421 L454 Y455 F458 P505	L381-L417 HydrophobicContact CD2-CB 4.26Å; K413-L417 WeakPolarHBondContact O-CB 3.42Å; K413-L417 WeakPolarHBondContact O-CD1 3.44Å; K413-L417 VanDerWaalsContact O-CG 3.22Å; K413-L417 WeakPolarHBondContact O-CG 3.43Å; K413-L417 PolarHBondContact O-N 3.33Å; I414-L417 PolarHBondContact O-N 3.02Å; D415-L417 VanDerWaalsContact C-N 3.31Å; D415-L417 PolarHBondContact O-N 3.08Å; L417-H421 WeakPolarHBondContact O-CB 3.32Å; L417-H421 PolarHBondContact O-CD2 3.3Å; L417-H421 PolarHBondContact O-N 2.8Å; L417-H421 VanDerWaalsContact O-N 3.12Å; L417-L454 HydrophobicContact CD2-CD2 3.89Å; L417-L454 HydrophobicContact CD2-CG 4.07Å; L417-L454 HydrophobicContact CG-CD2 4.08Å; L417-L454 HydrophobicContact CG-CG 4.19Å; L417-Y455 HydrophobicContact CD2-CD1 4.39Å; L417-Y455 HydrophobicContact CD2-CD2 3.94Å; L417-Y455 HydrophobicContact CD2-CE1 4.07Å; L417-Y455 HydrophobicContact CD2-CE2 3.57Å; L417-Y455 HydrophobicContact CD2-CG 4.33Å; L417-F458 HydrophobicContact CD1-CB 4.2Å; L417-F458 HydrophobicContact CD1-CD2 3.91Å; L417-F458 HydrophobicContact CD1-CG 3.94Å; L417-P505 HydrophobicContact CD1-CB 4.21Å; L417-P505 HydrophobicContact CD1-CG 4.31Å
418	Y	94.6	Very high	92.9	Very high	59 Å²	59	38 Å²	38	23%	0.231	21%	0.205	C	C	.	.	H	α-helix	trans	-64.9	-48.1	175.1	176.1	-105.1	0	0	0	111.7	V378 L381 N382 M385 I414 D415 H421 T422	V378-Y418 HydrophobicContact CG1-CD2 4.47Å; V378-Y418 HydrophobicContact CG1-CE2 3.91Å; L381-Y418 HydrophobicContact CB-CD2 3.73Å; L381-Y418 HydrophobicContact CB-CG 4.44Å; N382-Y418 HydrophobicContact CB-CD2 4.45Å; N382-Y418 HydrophobicContact CB-CE2 3.75Å; M385-Y418 HydrophobicContact CG-CG 4.3Å; I414-Y418 WeakPolarHBondContact O-CB 3.27Å; I414-Y418 PolarHBondContact O-N 2.91Å; D415-Y418 WeakPolarHBondContact O-CB 3.09Å; D415-Y418 PolarHBondContact O-N 3.08Å; D415-Y418 VanDerWaalsContact O-N 3.13Å; Y418-H421 PolarHBondContact O-N 2.97Å; Y418-T422 WeakPolarHBondContact CE2-OG1 3.41Å; Y418-T422 VanDerWaalsContact O-CB 3.24Å; Y418-T422 WeakPolarHBondContact O-CB 3.44Å; Y418-T422 PolarHBondContact O-N 2.72Å; Y418-T422 PolarHBondContact O-OG1 3.33Å
419	D	93.7	Very high	92.8	Very high	108 Å²	108	38.6 Å²	38.6	58%	0.578	20%	0.204	S	C	*	.	H	α-helix	trans	-64.4	-44	-179.9	-69.6	-18	0	0	0	111.5	D415 H421 T422 G423	D415-D419 PolarHBondContact O-N 3.22Å; D419-H421 PolarHBondContact O-N 3.44Å; D419-T422 PolarHBondContact O-N 2.81Å; D419-G423 PolarHBondContact O-N 3.36Å
420	L	93.1	Very high	92.6	Very high	27 Å²	27	40 Å²	40	14%	0.141	21%	0.212	C	C	.	.	H	α-helix	trans	-56.5	-51.8	175.7	172.8	59.5	0	0	0	112.2	E416 G423 F424 L448 M451 L454	E416-L420 WeakPolarHBondContact O-CB 3.44Å; E416-L420 PolarHBondContact O-N 3.35Å; L420-G423 PolarHBondContact O-N 2.88Å; L420-F424 WeakPolarHBondContact O-CB 3.47Å; L420-F424 PolarHBondContact O-N 2.77Å; L420-L448 HydrophobicContact CD2-CD1 4.37Å; L420-L448 HydrophobicContact CG-CD1 4.43Å; L420-M451 HydrophobicContact CD1-CB 4.37Å; L420-M451 HydrophobicContact CD1-CG 3.82Å; L420-M451 HydrophobicContact CD2-CB 3.55Å; L420-M451 HydrophobicContact CD2-CE 4.37Å; L420-M451 HydrophobicContact CD2-CG 3.87Å; L420-M451 HydrophobicContact CG-CG 4.5Å; L420-L454 HydrophobicContact CD2-CD2 4.18Å
421	H	93.6	Very high	92.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-75.5	-29.8	-175.4	-81.3	-95.6	0	0	0	112.8	E374 Y377 V378 L381 L417 Y418 D419 L425 Y455	E374-H421 IonicContact OE1-CE1 2.72Å; E374-H421 IonicContact OE1-CG 3.03Å; E374-H421 IonicContact OE1-ND1 2.78Å; E374-H421 PolarHBondContact OE1-ND1 2.85Å; E374-H421 IonicContact OE2-ND1 3.88Å; Y377-H421 HydrophobicContact CD1-CB 4.26Å; Y377-H421 AromaticContact CD1-CG 3.9Å; Y377-H421 AromaticContact CD1-ND1 3.58Å; Y377-H421 HydrophobicContact CE1-CB 4.17Å; Y377-H421 AromaticContact CE1-CD2 3.82Å; Y377-H421 AromaticContact CE1-CE1 3.67Å; Y377-H421 AromaticContact CE1-CG 3.54Å; Y377-H421 AromaticContact CE1-ND1 3.44Å; Y377-H421 WeakPolarHBondContact CE1-ND1 3.11Å; Y377-H421 AromaticContact CE1-NE2 3.88Å; V378-H421 HydrophobicContact CG2-CB 3.83Å; V378-H421 WeakPolarHBondContact CG2-O 3.22Å; L381-H421 HydrophobicContact CD1-CB 4.17Å; L417-H421 WeakPolarHBondContact O-CB 3.32Å; L417-H421 PolarHBondContact O-CD2 3.3Å; L417-H421 PolarHBondContact O-N 2.8Å; L417-H421 VanDerWaalsContact O-N 3.12Å; Y418-H421 PolarHBondContact O-N 2.97Å; D419-H421 PolarHBondContact O-N 3.44Å; H421-L425 VanDerWaalsContact O-CB 3.23Å; H421-L425 WeakPolarHBondContact O-CB 3.05Å; H421-L425 PolarHBondContact O-N 3.46Å; H421-Y455 PolarHBondContact CE1-OH 3.06Å; H421-Y455 AromaticContact NE2-CE2 3.72Å; H421-Y455 AromaticContact NE2-CZ 3.69Å; H421-Y455 PolarHBondContact NE2-OH 2.9Å
422	T	94.6	Very high	91.5	Very high	49 Å²	49	44.3 Å²	44.3	30%	0.301	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-44.3	170.5	-57.6	0	0	0	0	111	Y418 D419 L425 S426	Y418-T422 WeakPolarHBondContact CE2-OG1 3.41Å; Y418-T422 VanDerWaalsContact O-CB 3.24Å; Y418-T422 WeakPolarHBondContact O-CB 3.44Å; Y418-T422 PolarHBondContact O-N 2.72Å; Y418-T422 PolarHBondContact O-OG1 3.33Å; D419-T422 PolarHBondContact O-N 2.81Å; T422-L425 PolarHBondContact O-N 3.31Å; T422-S426 PolarHBondContact O-N 3.48Å
423	G	93.7	Very high	90.6	Very high	31 Å²	31	44.4 Å²	44.4	32%	0.32	25%	0.248	S	C	.	.	H	α-helix	trans	-62.2	-48.3	174.7	0	0	0	0	0	112.5	D419 L420 L425 S426 D427	D419-G423 PolarHBondContact O-N 3.36Å; L420-G423 PolarHBondContact O-N 2.88Å; G423-L425 PolarHBondContact O-N 2.59Å; G423-S426 WeakPolarHBondContact O-CB 3.4Å; G423-S426 PolarHBondContact O-N 2.6Å; G423-S426 VanDerWaalsContact O-N 3.12Å; G423-D427 PolarHBondContact O-N 2.82Å
424	F	93.1	Very high	89.7	Confident	8 Å²	8	47.4 Å²	47.4	4%	0.035	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-44.1	176	178	-109.3	0	0	0	112.2	E374 L420 S426 D427 L428 P444 F445 L448	E374-F424 HydrophobicContact CG-CD1 4Å; E374-F424 HydrophobicContact CG-CE1 4.36Å; E374-F424 WeakPolarHBondContact OE2-CD1 3.38Å; E374-F424 VanDerWaalsContact OE2-CE1 3.31Å; E374-F424 WeakPolarHBondContact OE2-CE1 3.47Å; L420-F424 WeakPolarHBondContact O-CB 3.47Å; L420-F424 PolarHBondContact O-N 2.77Å; F424-S426 VanDerWaalsContact C-N 3.29Å; F424-S426 PolarHBondContact O-N 3.4Å; F424-D427 PolarHBondContact O-N 3.35Å; F424-L428 HydrophobicContact CD1-CD1 4.27Å; F424-L428 HydrophobicContact CD1-CG 4.5Å; F424-L428 HydrophobicContact CD2-CD2 4.48Å; F424-L428 HydrophobicContact CD2-CG 4.48Å; F424-L428 HydrophobicContact CE1-CD1 3.61Å; F424-L428 HydrophobicContact CE1-CG 4.17Å; F424-L428 HydrophobicContact CE2-CD1 4.28Å; F424-L428 HydrophobicContact CE2-CD2 3.91Å; F424-L428 HydrophobicContact CE2-CG 4.15Å; F424-L428 HydrophobicContact CZ-CD1 3.61Å; F424-L428 HydrophobicContact CZ-CD2 4.04Å; F424-L428 HydrophobicContact CZ-CG 3.99Å; F424-L428 WeakPolarHBondContact O-CG 3.34Å; F424-L428 PolarHBondContact O-N 2.78Å; F424-P444 HydrophobicContact CD2-CB 3.93Å; F424-P444 HydrophobicContact CE2-CB 3.93Å; F424-F445 HydrophobicContact CE2-CD1 4.31Å; F424-F445 HydrophobicContact CE2-CD2 4.22Å; F424-F445 HydrophobicContact CE2-CE1 4.36Å; F424-F445 HydrophobicContact CE2-CE2 4.29Å; F424-F445 HydrophobicContact CE2-CG 4.25Å; F424-F445 HydrophobicContact CE2-CZ 4.35Å; F424-F445 HydrophobicContact CZ-CD1 4.06Å; F424-F445 HydrophobicContact CZ-CD2 4.35Å; F424-F445 AromaticContact CZ-CE1 3.69Å; F424-F445 HydrophobicContact CZ-CE1 3.69Å; F424-F445 HydrophobicContact CZ-CE2 4.03Å; F424-F445 HydrophobicContact CZ-CG 4.38Å; F424-F445 AromaticContact CZ-CZ 3.69Å; F424-F445 HydrophobicContact CZ-CZ 3.69Å; F424-L448 HydrophobicContact CD1-CD2 4.1Å; F424-L448 HydrophobicContact CD2-CB 4.14Å; F424-L448 HydrophobicContact CD2-CD2 4.21Å; F424-L448 HydrophobicContact CE1-CD2 3.72Å; F424-L448 HydrophobicContact CE2-CB 4.18Å; F424-L448 HydrophobicContact CE2-CD2 3.85Å; F424-L448 HydrophobicContact CG-CD2 4.33Å; F424-L448 HydrophobicContact CZ-CD2 3.58Å
425	L	93.1	Very high	88	Confident	13 Å²	13	57 Å²	57	7%	0.068	31%	0.307	C	S	.	.	H	α-helix	trans	-61.3	-36.5	175.3	-178.8	56.7	0	0	0	112.7	I371 E374 V378 H421 T422 G423 K429	I371-L425 HydrophobicContact CG2-CD1 4.06Å; E374-L425 HydrophobicContact CB-CD1 3.98Å; E374-L425 HydrophobicContact CG-CB 3.94Å; E374-L425 HydrophobicContact CG-CD1 3.99Å; E374-L425 HydrophobicContact CG-CG 4.42Å; V378-L425 HydrophobicContact CB-CD2 4.09Å; V378-L425 HydrophobicContact CG1-CD2 4.38Å; V378-L425 HydrophobicContact CG2-CB 4.37Å; V378-L425 HydrophobicContact CG2-CD2 3.93Å; H421-L425 VanDerWaalsContact O-CB 3.23Å; H421-L425 WeakPolarHBondContact O-CB 3.05Å; H421-L425 PolarHBondContact O-N 3.46Å; T422-L425 PolarHBondContact O-N 3.31Å; G423-L425 PolarHBondContact O-N 2.59Å; L425-K429 HydrophobicContact CD1-CD 4.14Å; L425-K429 HydrophobicContact CD1-CG 4.39Å; L425-K429 HydrophobicContact CG-CD 4.19Å; L425-K429 WeakPolarHBondContact O-CB 3.46Å; L425-K429 WeakPolarHBondContact O-CG 3.37Å; L425-K429 PolarHBondContact O-N 3.04Å; L425-K429 VanDerWaalsContact O-N 3.1Å
426	S	92.8	Very high	86.2	Confident	67 Å²	67	57.8 Å²	57.8	47%	0.469	33%	0.327	S	S	.	.	H	α-helix	trans	-65.5	-50.4	175	-166.6	0	0	0	0	111.1	T422 G423 F424 L428 K429 T430	T422-S426 PolarHBondContact O-N 3.48Å; G423-S426 WeakPolarHBondContact O-CB 3.4Å; G423-S426 PolarHBondContact O-N 2.6Å; G423-S426 VanDerWaalsContact O-N 3.12Å; F424-S426 VanDerWaalsContact C-N 3.29Å; F424-S426 PolarHBondContact O-N 3.4Å; S426-L428 VanDerWaalsContact C-N 3.34Å; S426-L428 PolarHBondContact O-N 3.48Å; S426-K429 PolarHBondContact O-N 2.78Å; S426-T430 PolarHBondContact O-N 3.05Å; S426-T430 PolarHBondContact O-OG1 2.94Å; S426-T430 VanDerWaalsContact O-OG1 3.13Å
427	D	90.6	Very high	84.5	Confident	45 Å²	45	57.1 Å²	57.1	24%	0.241	34%	0.34	C	S	.	.	H	α-helix	trans	-54.7	-48.3	177	-76.8	9.4	0	0	0	111.1	G423 F424 K429 T430 I431 P444 R447	G423-D427 PolarHBondContact O-N 2.82Å; F424-D427 PolarHBondContact O-N 3.35Å; D427-K429 PolarHBondContact O-N 3.4Å; D427-T430 PolarHBondContact O-N 2.89Å; D427-I431 WeakPolarHBondContact O-CB 3.43Å; D427-I431 WeakPolarHBondContact O-CD1 3.45Å; D427-I431 VanDerWaalsContact O-CG1 3.25Å; D427-I431 WeakPolarHBondContact O-CG1 3.3Å; D427-I431 PolarHBondContact O-N 3.33Å; D427-P444 HydrophobicContact CB-CB 4.14Å; D427-P444 HydrophobicContact CB-CG 3.93Å; D427-R447 IonicContact OD2-CZ 3.41Å; D427-R447 VanDerWaalsContact OD2-CZ 3.26Å; D427-R447 IonicContact OD2-NH1 3.17Å; D427-R447 PolarHBondContact OD2-NH1 3.04Å; D427-R447 IonicContact OD2-NH2 3.25Å; D427-R447 PolarHBondContact OD2-NH2 2.89Å
428	L	89.4	Confident	83.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63.7	-39.9	179.4	-62.8	-164.3	0	0	0	112.7	L367 I370 I371 F424 S426 I431 V432 P444 F445	L367-L428 HydrophobicContact CD1-CB 4.19Å; L367-L428 HydrophobicContact CD1-CD1 3.82Å; L367-L428 HydrophobicContact CD1-CD2 3.91Å; L367-L428 HydrophobicContact CD1-CG 4.17Å; I370-L428 HydrophobicContact CG2-CD1 3.79Å; I371-L428 HydrophobicContact CD1-CB 3.93Å; I371-L428 HydrophobicContact CG1-CB 3.65Å; I371-L428 HydrophobicContact CG1-CD1 4.07Å; F424-L428 HydrophobicContact CD1-CD1 4.27Å; F424-L428 HydrophobicContact CD1-CG 4.5Å; F424-L428 HydrophobicContact CD2-CD2 4.48Å; F424-L428 HydrophobicContact CD2-CG 4.48Å; F424-L428 HydrophobicContact CE1-CD1 3.61Å; F424-L428 HydrophobicContact CE1-CG 4.17Å; F424-L428 HydrophobicContact CE2-CD1 4.28Å; F424-L428 HydrophobicContact CE2-CD2 3.91Å; F424-L428 HydrophobicContact CE2-CG 4.15Å; F424-L428 HydrophobicContact CZ-CD1 3.61Å; F424-L428 HydrophobicContact CZ-CD2 4.04Å; F424-L428 HydrophobicContact CZ-CG 3.99Å; F424-L428 WeakPolarHBondContact O-CG 3.34Å; F424-L428 PolarHBondContact O-N 2.78Å; S426-L428 VanDerWaalsContact C-N 3.34Å; S426-L428 PolarHBondContact O-N 3.48Å; L428-I431 PolarHBondContact O-N 3.14Å; L428-V432 PolarHBondContact O-N 2.86Å; L428-P444 HydrophobicContact CD2-CB 4.2Å; L428-F445 HydrophobicContact CD1-CE2 4.48Å; L428-F445 HydrophobicContact CD1-CZ 4.41Å; L428-F445 HydrophobicContact CD2-CD2 4.37Å; L428-F445 HydrophobicContact CD2-CE2 3.78Å; L428-F445 HydrophobicContact CD2-CZ 4.48Å
429	K	88.7	Confident	81.9	Confident	95 Å²	95	60.5 Å²	60.5	41%	0.413	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-41.5	177.2	-78.7	174.1	177.2	168.5	0	111.6	I371 T375 L425 S426 D427 V432 S433	I371-K429 HydrophobicContact CG2-CG 3.96Å; T375-K429 PolarHBondContact OG1-NZ 3.43Å; L425-K429 HydrophobicContact CD1-CD 4.14Å; L425-K429 HydrophobicContact CD1-CG 4.39Å; L425-K429 HydrophobicContact CG-CD 4.19Å; L425-K429 WeakPolarHBondContact O-CB 3.46Å; L425-K429 WeakPolarHBondContact O-CG 3.37Å; L425-K429 PolarHBondContact O-N 3.04Å; L425-K429 VanDerWaalsContact O-N 3.1Å; S426-K429 PolarHBondContact O-N 2.78Å; D427-K429 PolarHBondContact O-N 3.4Å; K429-V432 PolarHBondContact O-N 2.97Å; K429-S433 PolarHBondContact O-N 2.72Å
430	T	87.2	Confident	81.3	Confident	68 Å²	68	60 Å²	60	42%	0.417	36%	0.36	S	S	.	.	H	α-helix	trans	-60.2	-47.2	173.4	-59.2	0	0	0	0	111.1	S426 D427 V432 S433 H434	S426-T430 PolarHBondContact O-N 3.05Å; S426-T430 PolarHBondContact O-OG1 2.94Å; S426-T430 VanDerWaalsContact O-OG1 3.13Å; D427-T430 PolarHBondContact O-N 2.89Å; T430-V432 VanDerWaalsContact C-N 3.33Å; T430-V432 PolarHBondContact O-N 3.47Å; T430-S433 PolarHBondContact O-N 3.16Å; T430-S433 VanDerWaalsContact O-N 3.09Å; T430-S433 PolarHBondContact O-OG 2.85Å; T430-H434 PolarHBondContact O-CD2 3.02Å; T430-H434 VanDerWaalsContact O-CD2 3.27Å; T430-H434 PolarHBondContact O-N 3.49Å
431	I	83.1	Confident	80.9	Confident	36 Å²	36	58.8 Å²	58.8	19%	0.185	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-38.4	179.1	-71.4	163	0	0	0	112.3	L367 D427 L428 V439 I441 P444	L367-I431 HydrophobicContact CD2-CG2 4.13Å; D427-I431 WeakPolarHBondContact O-CB 3.43Å; D427-I431 WeakPolarHBondContact O-CD1 3.45Å; D427-I431 VanDerWaalsContact O-CG1 3.25Å; D427-I431 WeakPolarHBondContact O-CG1 3.3Å; D427-I431 PolarHBondContact O-N 3.33Å; L428-I431 PolarHBondContact O-N 3.14Å; I431-V439 HydrophobicContact CG2-CG1 3.33Å; I431-I441 HydrophobicContact CG2-CG2 4.27Å; I431-P444 HydrophobicContact CD1-CG 3.68Å
432	V	79.1	Confident	80.5	Confident	58 Å²	58	58.8 Å²	58.8	35%	0.352	35%	0.353	S	S	.	.	H	α-helix	trans	-72.7	-29.5	175.3	171	0	0	0	0	112.8	L367 I371 L428 K429 T430 H434	L367-V432 HydrophobicContact CD2-CG2 3.43Å; L367-V432 VanDerWaalsContact CD2-CG2 3.43Å; L367-V432 HydrophobicContact CG-CG2 3.63Å; I371-V432 HydrophobicContact CD1-CB 4.16Å; I371-V432 HydrophobicContact CD1-CG2 3.51Å; L428-V432 PolarHBondContact O-N 2.86Å; K429-V432 PolarHBondContact O-N 2.97Å; T430-V432 VanDerWaalsContact C-N 3.33Å; T430-V432 PolarHBondContact O-N 3.47Å; V432-H434 VanDerWaalsContact C-N 3.25Å; V432-H434 PolarHBondContact O-N 3.21Å
433	S	76.1	Confident	80.2	Confident	83 Å²	83	61 Å²	61	58%	0.58	36%	0.36	S	S	*	.	H	α-helix	trans	-72.3	-12.8	179.2	71.5	0	0	0	0	114.9	K429 T430 E435	K429-S433 PolarHBondContact O-N 2.72Å; T430-S433 PolarHBondContact O-N 3.16Å; T430-S433 VanDerWaalsContact O-N 3.09Å; T430-S433 PolarHBondContact O-OG 2.85Å; S433-E435 PolarHBondContact O-N 3.47Å
434	H	73.6	Confident	79.9	Confident	128 Å²	128	60 Å²	60	59%	0.593	35%	0.348	S	S	*	.			trans	-87.5	96.2	177.3	-77.2	-65.8	0	0	0	112.1	T430 V432 G436	T430-H434 PolarHBondContact O-CD2 3.02Å; T430-H434 VanDerWaalsContact O-CD2 3.27Å; T430-H434 PolarHBondContact O-N 3.49Å; V432-H434 VanDerWaalsContact C-N 3.25Å; V432-H434 PolarHBondContact O-N 3.21Å; H434-G436 VanDerWaalsContact C-N 3.32Å; H434-G436 PolarHBondContact O-N 2.83Å
435	E	57.5	Low	79.7	Confident	200 Å²	200	59.9 Å²	59.9	94%	0.935	35%	0.347	S	S	*	.			trans	-76.3	75.4	174.3	-63.2	-161	143.1	0	0	112.7	S433	S433-E435 PolarHBondContact O-N 3.47Å
436	G	55.1	Low	79.5	Confident	65 Å²	65	61.5 Å²	61.5	67%	0.67	35%	0.353	S	S	*	.	S	Bend	trans	164.8	124.7	168.2	0	0	0	0	0	114.9	H434	H434-G436 VanDerWaalsContact C-N 3.32Å; H434-G436 PolarHBondContact O-N 2.83Å
437	G	59.8	Low	79.3	Confident	59 Å²	59	63.9 Å²	63.9	61%	0.608	35%	0.351	S	S	*	.	S	Bend	trans	108.5	-178.6	176.3	0	0	0	0	0	114.9
438	D	62.8	Low	79.1	Confident	113 Å²	113	61.8 Å²	61.8	60%	0.604	34%	0.34	S	S	*	.			trans	-73.6	131.9	168.5	-73.5	-42.3	0	0	0	109.3	L440	D438-L440 PolarHBondContact O-N 3.07Å
439	V	70.3	Confident	79	Confident	18 Å²	18	61.8 Å²	61.8	11%	0.109	34%	0.34	C	S	.	.			trans	-85	100.3	-170.4	-173.1	0	0	0	0	109.6	R364 L367 I431 I441	R364-V439 HydrophobicContact CG-CG2 4.14Å; L367-V439 HydrophobicContact CD2-CG1 4.19Å; I431-V439 HydrophobicContact CG2-CG1 3.33Å; V439-I441 HydrophobicContact CG1-CG2 3.99Å; V439-I441 PolarHBondContact O-N 3.44Å
440	L	80.7	Confident	78.9	Confident	98 Å²	98	61.2 Å²	61.2	51%	0.513	34%	0.339	S	S	.	.			trans	-76.6	107.8	179.5	-58.4	-174.6	0	0	0	111.2	D438 P528 D529	D438-L440 PolarHBondContact O-N 3.07Å; L440-P528 HydrophobicContact CD2-CB 4.18Å; L440-P528 HydrophobicContact CD2-CG 3.42Å; L440-P528 VanDerWaalsContact CD2-CG 3.42Å; L440-D529 WeakPolarHBondContact CA-OD2 3.26Å
441	I	84.8	Confident	78.5	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	34%	0.336	C	S	.	.			trans	-110.4	-10.7	179.4	62.1	173.9	0	0	0	113.5	I363 L367 I431 V439 E443 P444 F445 L519 D529 L533	I363-I441 HydrophobicContact CG2-CD1 4.34Å; L367-I441 HydrophobicContact CD2-CG2 4Å; I431-I441 HydrophobicContact CG2-CG2 4.27Å; V439-I441 HydrophobicContact CG1-CG2 3.99Å; V439-I441 PolarHBondContact O-N 3.44Å; I441-E443 VanDerWaalsContact C-N 3.34Å; I441-E443 PolarHBondContact O-N 3.47Å; I441-P444 WeakPolarHBondContact O-CD 3.27Å; I441-F445 HydrophobicContact CB-CD2 4.05Å; I441-F445 HydrophobicContact CB-CE2 4.28Å; I441-F445 VanDerWaalsContact O-CD2 3.31Å; I441-F445 WeakPolarHBondContact O-CD2 3.35Å; I441-F445 PolarHBondContact O-N 2.88Å; I441-L519 HydrophobicContact CD1-CD1 3.98Å; I441-L519 HydrophobicContact CD1-CD2 3.7Å; I441-L519 HydrophobicContact CD1-CG 4.3Å; I441-D529 WeakPolarHBondContact CG1-OD2 3.38Å; I441-D529 VanDerWaalsContact N-CG 3.33Å; I441-D529 PolarHBondContact N-OD1 2.9Å; I441-D529 PolarHBondContact N-OD2 3.48Å; I441-L533 HydrophobicContact CD1-CD1 4.34Å; I441-L533 HydrophobicContact CG1-CD1 4.38Å
442	G	85.6	Confident	78.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-37.6	-167.5	0	0	0	0	0	114.2	R446 D529 P532	G442-R446 WeakPolarHBondContact O-CB 3.47Å; G442-R446 PolarHBondContact O-N 2.95Å; G442-D529 WeakPolarHBondContact CA-OD1 3.43Å; G442-D529 PolarHBondContact N-OD1 3.3Å; G442-P532 VanDerWaalsContact O-CB 3.32Å; G442-P532 WeakPolarHBondContact O-CB 3.44Å
443	E	86.7	Confident	78.4	Confident	96 Å²	96	63.8 Å²	63.8	45%	0.449	35%	0.346	S	S	.	.	H	α-helix	trans	-69.7	-53	-176	-68.9	-61.6	135.8	0	0	113.7	I441 F445 R446 R447	I441-E443 VanDerWaalsContact C-N 3.34Å; I441-E443 PolarHBondContact O-N 3.47Å; E443-F445 VanDerWaalsContact C-N 3.28Å; E443-F445 PolarHBondContact O-N 3.46Å; E443-R446 PolarHBondContact O-N 3.44Å; E443-R446 IonicContact OE1-CZ 2.74Å; E443-R446 IonicContact OE1-NH1 3.65Å; E443-R446 PolarHBondContact OE1-NH1 3.17Å; E443-R446 IonicContact OE1-NH2 3.73Å; E443-R446 IonicContact OE2-CZ 3.9Å; E443-R446 VanDerWaalsContact OE2-CZ 3.23Å; E443-R446 IonicContact OE2-NH1 3.68Å; E443-R446 PolarHBondContact OE2-NH1 3.1Å; E443-R446 IonicContact OE2-NH2 3.83Å; E443-R446 PolarHBondContact OE2-NH2 3.2Å; E443-R447 PolarHBondContact O-N 2.67Å
444	P	89.1	Confident	79	Confident	9 Å²	9	60.6 Å²	60.6	6%	0.058	32%	0.323	C	S	.	.	H	α-helix	trans	-55.8	-41.5	173.2	-26.4	32.7	0	0	0	113.3	F424 D427 L428 I431 I441 R447 L448	F424-P444 HydrophobicContact CD2-CB 3.93Å; F424-P444 HydrophobicContact CE2-CB 3.93Å; D427-P444 HydrophobicContact CB-CB 4.14Å; D427-P444 HydrophobicContact CB-CG 3.93Å; L428-P444 HydrophobicContact CD2-CB 4.2Å; I431-P444 HydrophobicContact CD1-CG 3.68Å; I441-P444 WeakPolarHBondContact O-CD 3.27Å; P444-R447 PolarHBondContact O-N 2.97Å; P444-L448 WeakPolarHBondContact O-CB 3.38Å; P444-L448 PolarHBondContact O-N 3.11Å
445	F	88.9	Confident	79.7	Confident	5 Å²	5	54.5 Å²	54.5	2%	0.022	30%	0.295	C	S	.	.	H	α-helix	trans	-69.3	-35.1	179.5	-85.6	-82.9	0	0	0	112.5	I370 F424 L428 I441 E443 A449 V515 F516 L519 L533	I370-F445 HydrophobicContact CD1-CZ 4.02Å; I370-F445 HydrophobicContact CG2-CZ 4.21Å; F424-F445 HydrophobicContact CE2-CD1 4.31Å; F424-F445 HydrophobicContact CE2-CD2 4.22Å; F424-F445 HydrophobicContact CE2-CE1 4.36Å; F424-F445 HydrophobicContact CE2-CE2 4.29Å; F424-F445 HydrophobicContact CE2-CG 4.25Å; F424-F445 HydrophobicContact CE2-CZ 4.35Å; F424-F445 HydrophobicContact CZ-CD1 4.06Å; F424-F445 HydrophobicContact CZ-CD2 4.35Å; F424-F445 AromaticContact CZ-CE1 3.69Å; F424-F445 HydrophobicContact CZ-CE1 3.69Å; F424-F445 HydrophobicContact CZ-CE2 4.03Å; F424-F445 HydrophobicContact CZ-CG 4.38Å; F424-F445 AromaticContact CZ-CZ 3.69Å; F424-F445 HydrophobicContact CZ-CZ 3.69Å; L428-F445 HydrophobicContact CD1-CE2 4.48Å; L428-F445 HydrophobicContact CD1-CZ 4.41Å; L428-F445 HydrophobicContact CD2-CD2 4.37Å; L428-F445 HydrophobicContact CD2-CE2 3.78Å; L428-F445 HydrophobicContact CD2-CZ 4.48Å; I441-F445 HydrophobicContact CB-CD2 4.05Å; I441-F445 HydrophobicContact CB-CE2 4.28Å; I441-F445 VanDerWaalsContact O-CD2 3.31Å; I441-F445 WeakPolarHBondContact O-CD2 3.35Å; I441-F445 PolarHBondContact O-N 2.88Å; E443-F445 VanDerWaalsContact C-N 3.28Å; E443-F445 PolarHBondContact O-N 3.46Å; F445-A449 PolarHBondContact O-N 2.94Å; F445-V515 HydrophobicContact CE1-CG1 3.58Å; F445-V515 HydrophobicContact CZ-CG1 4.13Å; F445-F516 HydrophobicContact CB-CE1 3.94Å; F445-F516 HydrophobicContact CD1-CD1 4.13Å; F445-F516 AromaticContact CD1-CE1 3.68Å; F445-F516 HydrophobicContact CD1-CE1 3.68Å; F445-F516 HydrophobicContact CD1-CZ 4.39Å; F445-F516 HydrophobicContact CG-CE1 4.3Å; F445-F516 WeakPolarHBondContact O-CE1 3.45Å; F445-L519 HydrophobicContact CD1-CD1 3.93Å; F445-L519 HydrophobicContact CD2-CD1 4.2Å; F445-L519 HydrophobicContact CE1-CD1 3.61Å; F445-L519 HydrophobicContact CE2-CD1 3.9Å; F445-L519 HydrophobicContact CG-CD1 4.22Å; F445-L519 HydrophobicContact CZ-CD1 3.58Å; F445-L533 HydrophobicContact CB-CD2 3.69Å; F445-L533 HydrophobicContact CG-CD2 4.11Å
446	R	87.3	Confident	81	Confident	48 Å²	48	46.5 Å²	46.5	18%	0.181	26%	0.261	C	S	.	.	H	α-helix	trans	-68	-43.4	171.5	-161.1	-172.2	71.5	-112.8	-19.4	111.7	G442 E443 L448 A449 E450 P532 Q535	G442-R446 WeakPolarHBondContact O-CB 3.47Å; G442-R446 PolarHBondContact O-N 2.95Å; E443-R446 PolarHBondContact O-N 3.44Å; E443-R446 IonicContact OE1-CZ 2.74Å; E443-R446 IonicContact OE1-NH1 3.65Å; E443-R446 PolarHBondContact OE1-NH1 3.17Å; E443-R446 IonicContact OE1-NH2 3.73Å; E443-R446 IonicContact OE2-CZ 3.9Å; E443-R446 VanDerWaalsContact OE2-CZ 3.23Å; E443-R446 IonicContact OE2-NH1 3.68Å; E443-R446 PolarHBondContact OE2-NH1 3.1Å; E443-R446 IonicContact OE2-NH2 3.83Å; E443-R446 PolarHBondContact OE2-NH2 3.2Å; R446-L448 VanDerWaalsContact C-N 3.31Å; R446-L448 PolarHBondContact O-N 3.2Å; R446-A449 CarbonylContact O-C 3.57Å; R446-A449 WeakPolarHBondContact O-CA 3.45Å; R446-A449 WeakPolarHBondContact O-CB 3.16Å; R446-A449 PolarHBondContact O-N 3.35Å; R446-E450 WeakPolarHBondContact CD-OE1 3.37Å; R446-E450 HydrophobicContact CG-CG 4.47Å; R446-E450 WeakPolarHBondContact CG-OE1 3.48Å; R446-E450 IonicContact CZ-OE1 2.62Å; R446-E450 IonicContact NE-OE1 3.53Å; R446-E450 PolarHBondContact NE-OE1 3.49Å; R446-E450 IonicContact NH2-OE1 2.76Å; R446-E450 WeakPolarHBondContact O-CG 3.25Å; R446-E450 PolarHBondContact O-N 2.99Å; R446-P532 HydrophobicContact CB-CB 4.24Å; R446-Q535 HydrophobicContact CG-CG 4.32Å
447	R	88.9	Confident	82.5	Confident	116 Å²	116	45 Å²	45	44%	0.438	24%	0.242	S	C	.	.	H	α-helix	trans	-60.5	-40.2	177.3	-157.7	-167.1	-50.8	134.3	10.2	112.1	D427 E443 P444 A449 E450 M451	D427-R447 IonicContact OD2-CZ 3.41Å; D427-R447 VanDerWaalsContact OD2-CZ 3.26Å; D427-R447 IonicContact OD2-NH1 3.17Å; D427-R447 PolarHBondContact OD2-NH1 3.04Å; D427-R447 IonicContact OD2-NH2 3.25Å; D427-R447 PolarHBondContact OD2-NH2 2.89Å; E443-R447 PolarHBondContact O-N 2.67Å; P444-R447 PolarHBondContact O-N 2.97Å; R447-A449 VanDerWaalsContact C-N 3.27Å; R447-A449 PolarHBondContact O-N 3.25Å; R447-E450 PolarHBondContact O-N 3.46Å; R447-M451 WeakPolarHBondContact O-CG 3.44Å
448	L	87.3	Confident	83.9	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-35	173.1	179.8	62.5	0	0	0	112.4	L420 F424 P444 R446	L420-L448 HydrophobicContact CD2-CD1 4.37Å; L420-L448 HydrophobicContact CG-CD1 4.43Å; F424-L448 HydrophobicContact CD1-CD2 4.1Å; F424-L448 HydrophobicContact CD2-CB 4.14Å; F424-L448 HydrophobicContact CD2-CD2 4.21Å; F424-L448 HydrophobicContact CE1-CD2 3.72Å; F424-L448 HydrophobicContact CE2-CB 4.18Å; F424-L448 HydrophobicContact CE2-CD2 3.85Å; F424-L448 HydrophobicContact CG-CD2 4.33Å; F424-L448 HydrophobicContact CZ-CD2 3.58Å; P444-L448 WeakPolarHBondContact O-CB 3.38Å; P444-L448 PolarHBondContact O-N 3.11Å; R446-L448 VanDerWaalsContact C-N 3.31Å; R446-L448 PolarHBondContact O-N 3.2Å
449	A	85.8	Confident	85	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-81.5	-23.3	177.2	0	0	0	0	0	114.4	F445 R446 R447 M451 F452 F516 A536 I539	F445-A449 PolarHBondContact O-N 2.94Å; R446-A449 CarbonylContact O-C 3.57Å; R446-A449 WeakPolarHBondContact O-CA 3.45Å; R446-A449 WeakPolarHBondContact O-CB 3.16Å; R446-A449 PolarHBondContact O-N 3.35Å; R447-A449 VanDerWaalsContact C-N 3.27Å; R447-A449 PolarHBondContact O-N 3.25Å; A449-M451 PolarHBondContact O-N 3.09Å; A449-F452 VanDerWaalsContact CA-CE2 3.4Å; A449-F452 HydrophobicContact CB-CE2 3.63Å; A449-F452 HydrophobicContact CB-CZ 4.01Å; A449-F452 WeakPolarHBondContact O-CD2 3.28Å; A449-F452 WeakPolarHBondContact O-CE2 3.46Å; A449-F516 HydrophobicContact CB-CE1 4.4Å; A449-F516 HydrophobicContact CB-CZ 3.9Å; A449-A536 HydrophobicContact CB-CB 3.63Å; A449-I539 WeakPolarHBondContact O-CG2 3.47Å
450	E	86.6	Confident	85.7	Confident	83 Å²	83	40.6 Å²	40.6	39%	0.388	20%	0.201	S	C	.	.	H	α-helix	trans	-69.9	-18.9	173.9	-74.3	161.3	174.5	0	0	111.8	R446 R447 F452 I539	R446-E450 WeakPolarHBondContact CD-OE1 3.37Å; R446-E450 HydrophobicContact CG-CG 4.47Å; R446-E450 WeakPolarHBondContact CG-OE1 3.48Å; R446-E450 IonicContact CZ-OE1 2.62Å; R446-E450 IonicContact NE-OE1 3.53Å; R446-E450 PolarHBondContact NE-OE1 3.49Å; R446-E450 IonicContact NH2-OE1 2.76Å; R446-E450 WeakPolarHBondContact O-CG 3.25Å; R446-E450 PolarHBondContact O-N 2.99Å; R447-E450 PolarHBondContact O-N 3.46Å; E450-F452 PolarHBondContact O-N 2.87Å; E450-I539 HydrophobicContact CG-CD1 4.23Å
451	M	80.3	Confident	86	Confident	74 Å²	74	37 Å²	37	37%	0.365	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	19.5	-177.3	-65.9	-66.1	-67	0	0	115.1	L420 R447 A449 D453 L454	L420-M451 HydrophobicContact CD1-CB 4.37Å; L420-M451 HydrophobicContact CD1-CG 3.82Å; L420-M451 HydrophobicContact CD2-CB 3.55Å; L420-M451 HydrophobicContact CD2-CE 4.37Å; L420-M451 HydrophobicContact CD2-CG 3.87Å; L420-M451 HydrophobicContact CG-CG 4.5Å; R447-M451 WeakPolarHBondContact O-CG 3.44Å; A449-M451 PolarHBondContact O-N 3.09Å; M451-D453 VanDerWaalsContact C-N 3.27Å; M451-D453 PolarHBondContact O-N 3.05Å; M451-L454 HydrophobicContact CE-CB 4.25Å; M451-L454 HydrophobicContact CE-CD2 3.8Å; M451-L454 WeakPolarHBondContact O-CB 3.48Å; M451-L454 PolarHBondContact O-N 2.97Å
452	F	77.1	Confident	86.2	Confident	7 Å²	7	39.5 Å²	39.5	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-69.9	-17.5	179.9	-68.1	-47.8	0	0	0	115.1	A449 E450 L454 Y455 S456 V509 F516 I539 I540 F543	A449-F452 VanDerWaalsContact CA-CE2 3.4Å; A449-F452 HydrophobicContact CB-CE2 3.63Å; A449-F452 HydrophobicContact CB-CZ 4.01Å; A449-F452 WeakPolarHBondContact O-CD2 3.28Å; A449-F452 WeakPolarHBondContact O-CE2 3.46Å; E450-F452 PolarHBondContact O-N 2.87Å; F452-L454 VanDerWaalsContact C-N 3.28Å; F452-L454 PolarHBondContact O-N 2.85Å; F452-Y455 HydrophobicContact CD1-CD2 4.34Å; F452-Y455 PolarHBondContact O-N 2.76Å; F452-S456 WeakPolarHBondContact O-CB 3.17Å; F452-S456 PolarHBondContact O-N 2.88Å; F452-V509 HydrophobicContact CD1-CG2 4.25Å; F452-V509 HydrophobicContact CE1-CG2 4.01Å; F452-F516 HydrophobicContact CZ-CE2 4.28Å; F452-I539 HydrophobicContact CD2-CB 4.41Å; F452-I539 HydrophobicContact CD2-CG2 3.85Å; F452-I539 HydrophobicContact CE2-CB 4.46Å; F452-I539 HydrophobicContact CE2-CG2 4.37Å; F452-I540 HydrophobicContact CD1-CD1 4.24Å; F452-I540 HydrophobicContact CD2-CB 4.48Å; F452-I540 HydrophobicContact CE1-CD1 3.55Å; F452-I540 HydrophobicContact CE2-CB 3.49Å; F452-I540 VanDerWaalsContact CE2-CB 3.49Å; F452-I540 HydrophobicContact CE2-CD1 3.87Å; F452-I540 HydrophobicContact CE2-CG1 4.24Å; F452-I540 HydrophobicContact CZ-CB 3.61Å; F452-I540 HydrophobicContact CZ-CD1 3.35Å; F452-I540 HydrophobicContact CZ-CG1 3.94Å; F452-F543 HydrophobicContact CB-CB 4.06Å; F452-F543 HydrophobicContact CB-CD2 3.73Å; F452-F543 HydrophobicContact CB-CE2 4.35Å; F452-F543 HydrophobicContact CB-CG 3.85Å; F452-F543 HydrophobicContact CD1-CD1 4.31Å; F452-F543 HydrophobicContact CD1-CG 4.38Å; F452-F543 HydrophobicContact CD2-CB 4.03Å; F452-F543 HydrophobicContact CD2-CG 4.41Å; F452-F543 HydrophobicContact CG-CB 4.07Å; F452-F543 HydrophobicContact CG-CD1 4.32Å; F452-F543 HydrophobicContact CG-CD2 4.32Å; F452-F543 AromaticContact CG-CG 3.96Å; F452-F543 HydrophobicContact CG-CG 3.96Å
453	D	82.6	Confident	86	Confident	134 Å²	134	44.1 Å²	44.1	72%	0.717	21%	0.212	S	C	*	.	H	α-helix	trans	-66.1	-32.6	171.6	-71.4	-37.7	0	0	0	112	M451 S456 A457	M451-D453 VanDerWaalsContact C-N 3.27Å; M451-D453 PolarHBondContact O-N 3.05Å; D453-S456 WeakPolarHBondContact O-CB 3.37Å; D453-S456 PolarHBondContact O-N 3.5Å; D453-A457 WeakPolarHBondContact O-CB 3.15Å; D453-A457 PolarHBondContact O-N 3.31Å
454	L	89.1	Confident	86.1	Confident	17 Å²	17	43.1 Å²	43.1	9%	0.089	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-47	171.9	175.4	63.7	0	0	0	111.1	K413 E416 L417 L420 M451 F452 S456 A457 F458	K413-L454 HydrophobicContact CB-CD1 3.73Å; K413-L454 HydrophobicContact CD-CD1 3.66Å; K413-L454 HydrophobicContact CG-CD1 3.84Å; E416-L454 HydrophobicContact CB-CD1 3.86Å; E416-L454 HydrophobicContact CB-CD2 3.85Å; L417-L454 HydrophobicContact CD2-CD2 3.89Å; L417-L454 HydrophobicContact CD2-CG 4.07Å; L417-L454 HydrophobicContact CG-CD2 4.08Å; L417-L454 HydrophobicContact CG-CG 4.19Å; L420-L454 HydrophobicContact CD2-CD2 4.18Å; M451-L454 HydrophobicContact CE-CB 4.25Å; M451-L454 HydrophobicContact CE-CD2 3.8Å; M451-L454 WeakPolarHBondContact O-CB 3.48Å; M451-L454 PolarHBondContact O-N 2.97Å; F452-L454 VanDerWaalsContact C-N 3.28Å; F452-L454 PolarHBondContact O-N 2.85Å; L454-S456 VanDerWaalsContact C-N 3.33Å; L454-S456 PolarHBondContact O-N 3.06Å; L454-A457 PolarHBondContact O-N 3.45Å; L454-F458 PolarHBondContact O-N 3.12Å
455	Y	87.3	Confident	86.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.5	-38.8	174.1	-91.6	-81.7	0	0	0	112.2	Y377 L417 H421 F452 F458 L459 P505 V509	Y377-Y455 PolarHBondContact OH-OH 3.31Å; L417-Y455 HydrophobicContact CD2-CD1 4.39Å; L417-Y455 HydrophobicContact CD2-CD2 3.94Å; L417-Y455 HydrophobicContact CD2-CE1 4.07Å; L417-Y455 HydrophobicContact CD2-CE2 3.57Å; L417-Y455 HydrophobicContact CD2-CG 4.33Å; H421-Y455 PolarHBondContact CE1-OH 3.06Å; H421-Y455 AromaticContact NE2-CE2 3.72Å; H421-Y455 AromaticContact NE2-CZ 3.69Å; H421-Y455 PolarHBondContact NE2-OH 2.9Å; F452-Y455 HydrophobicContact CD1-CD2 4.34Å; F452-Y455 PolarHBondContact O-N 2.76Å; Y455-F458 PolarHBondContact O-N 2.8Å; Y455-L459 WeakPolarHBondContact O-CB 3.31Å; Y455-L459 WeakPolarHBondContact O-CD1 3.33Å; Y455-L459 WeakPolarHBondContact O-CG 3.47Å; Y455-L459 PolarHBondContact O-N 2.9Å; Y455-P505 HydrophobicContact CE1-CB 4.03Å; Y455-P505 WeakPolarHBondContact CE1-O 3.41Å; Y455-V509 HydrophobicContact CD1-CB 3.92Å; Y455-V509 HydrophobicContact CD1-CG1 4.41Å; Y455-V509 HydrophobicContact CD1-CG2 4.35Å; Y455-V509 HydrophobicContact CE1-CB 3.94Å
456	S	84.5	Confident	86.1	Confident	31 Å²	31	43.3 Å²	43.3	22%	0.217	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-51.2	174.6	-170.6	0	0	0	0	110.6	F452 D453 L454 F458 L459 H460	F452-S456 WeakPolarHBondContact O-CB 3.17Å; F452-S456 PolarHBondContact O-N 2.88Å; D453-S456 WeakPolarHBondContact O-CB 3.37Å; D453-S456 PolarHBondContact O-N 3.5Å; L454-S456 VanDerWaalsContact C-N 3.33Å; L454-S456 PolarHBondContact O-N 3.06Å; S456-F458 PolarHBondContact O-N 3.44Å; S456-L459 PolarHBondContact O-N 2.95Å; S456-H460 PolarHBondContact O-N 2.8Å; S456-H460 PolarHBondContact O-ND1 3.35Å; S456-H460 PolarHBondContact OG-CE1 3.39Å
457	A	87.6	Confident	86.1	Confident	33 Å²	33	46 Å²	46	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-58.9	-46.8	177.5	0	0	0	0	0	112.1	F412 K413 D453 L454 L459 N461	F412-A457 HydrophobicContact CE1-CB 4.07Å; F412-A457 WeakPolarHBondContact CE1-O 3.34Å; K413-A457 HydrophobicContact CG-CB 4.28Å; D453-A457 WeakPolarHBondContact O-CB 3.15Å; D453-A457 PolarHBondContact O-N 3.31Å; L454-A457 PolarHBondContact O-N 3.45Å; A457-L459 PolarHBondContact O-N 2.91Å; A457-N461 PolarHBondContact O-N 2.92Å
458	F	89.2	Confident	86.2	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-55.1	-52	175.1	176.6	-96.4	0	0	0	111.9	F412 K413 I414 L417 L454 Y455 S456 H460 N461 Y462 L502 P505 V506	F412-F458 WeakPolarHBondContact O-CD2 3.11Å; K413-F458 HydrophobicContact CB-CB 4.3Å; I414-F458 HydrophobicContact CD1-CD2 4.23Å; I414-F458 HydrophobicContact CD1-CE2 3.56Å; I414-F458 HydrophobicContact CD1-CZ 4.31Å; I414-F458 HydrophobicContact CG1-CE2 4.36Å; L417-F458 HydrophobicContact CD1-CB 4.2Å; L417-F458 HydrophobicContact CD1-CD2 3.91Å; L417-F458 HydrophobicContact CD1-CG 3.94Å; L454-F458 PolarHBondContact O-N 3.12Å; Y455-F458 PolarHBondContact O-N 2.8Å; S456-F458 PolarHBondContact O-N 3.44Å; F458-H460 PolarHBondContact O-N 2.83Å; F458-N461 CarbonylContact O-C 3.57Å; F458-N461 PolarHBondContact O-N 3.39Å; F458-N461 VanDerWaalsContact O-N 3.12Å; F458-Y462 HydrophobicContact CE1-CD2 4.14Å; F458-Y462 HydrophobicContact CE1-CG 4.5Å; F458-Y462 HydrophobicContact CZ-CD2 4.11Å; F458-Y462 PolarHBondContact O-N 2.84Å; F458-L502 WeakPolarHBondContact CZ-O 3.34Å; F458-P505 HydrophobicContact CD1-CB 4.06Å; F458-P505 HydrophobicContact CE1-CB 3.72Å; F458-P505 HydrophobicContact CE1-CG 3.94Å; F458-P505 HydrophobicContact CE2-CG 4.49Å; F458-P505 HydrophobicContact CZ-CB 4.19Å; F458-P505 HydrophobicContact CZ-CG 3.89Å; F458-V506 HydrophobicContact CE1-CG2 4.34Å
459	L	85.6	Confident	86.2	Confident	16 Å²	16	41.3 Å²	41.3	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-69.7	-31.4	-172.8	-69.8	167.2	0	0	0	113.6	Y455 S456 A457 N461 Y462 V506 F543 F547	Y455-L459 WeakPolarHBondContact O-CB 3.31Å; Y455-L459 WeakPolarHBondContact O-CD1 3.33Å; Y455-L459 WeakPolarHBondContact O-CG 3.47Å; Y455-L459 PolarHBondContact O-N 2.9Å; S456-L459 PolarHBondContact O-N 2.95Å; A457-L459 PolarHBondContact O-N 2.91Å; L459-N461 VanDerWaalsContact C-N 3.27Å; L459-N461 PolarHBondContact O-N 2.89Å; L459-Y462 PolarHBondContact O-N 3.1Å; L459-V506 HydrophobicContact CD2-CB 4.21Å; L459-V506 HydrophobicContact CD2-CG1 4.05Å; L459-V506 HydrophobicContact CD2-CG2 3.77Å; L459-F543 HydrophobicContact CD1-CZ 3.85Å; L459-F547 HydrophobicContact CB-CD2 4.45Å; L459-F547 HydrophobicContact CB-CE2 3.41Å; L459-F547 VanDerWaalsContact CB-CE2 3.41Å; L459-F547 HydrophobicContact CB-CZ 3.66Å; L459-F547 HydrophobicContact CD1-CD2 4.24Å; L459-F547 HydrophobicContact CD1-CE1 4.42Å; L459-F547 HydrophobicContact CD1-CE2 3.77Å; L459-F547 HydrophobicContact CD1-CZ 3.88Å; L459-F547 HydrophobicContact CD2-CZ 4.5Å; L459-F547 HydrophobicContact CG-CE2 4.2Å; L459-F547 HydrophobicContact CG-CZ 4.22Å
460	H	84.5	Confident	86.3	Confident	81 Å²	81	46.6 Å²	46.6	38%	0.375	23%	0.232	S	C	.	.	H	α-helix	trans	-64.5	-32.8	172	-75.9	90.7	0	0	0	112.1	S456 F458 V550	S456-H460 PolarHBondContact O-N 2.8Å; S456-H460 PolarHBondContact O-ND1 3.35Å; S456-H460 PolarHBondContact OG-CE1 3.39Å; F458-H460 PolarHBondContact O-N 2.83Å; H460-V550 WeakPolarHBondContact NE2-CG1 3.35Å
461	N	88.5	Confident	86.5	Confident	22 Å²	22	47.6 Å²	47.6	12%	0.118	24%	0.236	C	C	.	.	H	α-helix	trans	-88	-22.9	177	-177.6	69.3	0	0	0	114	T409 F412 A457 F458 L459 K463 N464 A465	T409-N461 PolarHBondContact O-ND2 3.39Å; F412-N461 HydrophobicContact CB-CB 4.39Å; F412-N461 VanDerWaalsContact CB-ND2 3.26Å; F412-N461 WeakPolarHBondContact CB-ND2 3.12Å; F412-N461 HydrophobicContact CD1-CB 3.59Å; F412-N461 HydrophobicContact CE1-CB 4.16Å; F412-N461 HydrophobicContact CG-CB 4.2Å; A457-N461 PolarHBondContact O-N 2.92Å; F458-N461 CarbonylContact O-C 3.57Å; F458-N461 PolarHBondContact O-N 3.39Å; F458-N461 VanDerWaalsContact O-N 3.12Å; L459-N461 VanDerWaalsContact C-N 3.27Å; L459-N461 PolarHBondContact O-N 2.89Å; N461-K463 PolarHBondContact O-N 2.61Å; N461-N464 WeakPolarHBondContact O-CA 3.34Å; N461-N464 WeakPolarHBondContact O-CB 3.3Å; N461-N464 PolarHBondContact O-N 3.16Å; N461-A465 PolarHBondContact O-N 3.46Å
462	Y	87.4	Confident	86.8	Confident	53 Å²	53	44.3 Å²	44.3	21%	0.208	22%	0.22	C	C	.	.	H	α-helix	trans	-47.5	-39.6	-173.3	169.7	-106	0	0	0	114.5	F458 L459 A465 I466 L502 H503 V506	F458-Y462 HydrophobicContact CE1-CD2 4.14Å; F458-Y462 HydrophobicContact CE1-CG 4.5Å; F458-Y462 HydrophobicContact CZ-CD2 4.11Å; F458-Y462 PolarHBondContact O-N 2.84Å; L459-Y462 PolarHBondContact O-N 3.1Å; Y462-A465 WeakPolarHBondContact O-CB 3.37Å; Y462-A465 PolarHBondContact O-N 2.99Å; Y462-I466 HydrophobicContact CD2-CG1 4.14Å; Y462-I466 HydrophobicContact CE1-CG1 4.32Å; Y462-I466 HydrophobicContact CE2-CD1 3.87Å; Y462-I466 HydrophobicContact CE2-CG1 3.57Å; Y462-I466 WeakPolarHBondContact O-CG1 3.1Å; Y462-I466 PolarHBondContact O-N 3.08Å; Y462-I466 VanDerWaalsContact O-N 3.11Å; Y462-L502 HydrophobicContact CE2-CB 4.11Å; Y462-L502 VanDerWaalsContact CE2-O 3.25Å; Y462-L502 WeakPolarHBondContact CE2-O 3.44Å; Y462-H503 PolarHBondContact OH-CD2 2.95Å; Y462-V506 HydrophobicContact CD1-CG2 4.3Å; Y462-V506 HydrophobicContact CD2-CG2 4.16Å; Y462-V506 HydrophobicContact CE1-CG2 4.25Å; Y462-V506 HydrophobicContact CE2-CG2 4.12Å; Y462-V506 HydrophobicContact CG-CG2 4.26Å
463	K	82.9	Confident	87.3	Confident	97 Å²	97	45.2 Å²	45.2	42%	0.422	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-48.8	174.9	-174.2	-166.4	163.8	-164	0	111.7	N461 A465 I466 E467	N461-K463 PolarHBondContact O-N 2.61Å; K463-A465 VanDerWaalsContact C-N 3.33Å; K463-A465 PolarHBondContact O-N 3.22Å; K463-I466 PolarHBondContact O-N 3.34Å; K463-E467 VanDerWaalsContact CE-CD 3.42Å; K463-E467 WeakPolarHBondContact CE-OE1 3.31Å; K463-E467 WeakPolarHBondContact CE-OE2 3.45Å; K463-E467 IonicContact NZ-OE1 2.92Å; K463-E467 IonicContact NZ-OE2 3.26Å; K463-E467 PolarHBondContact O-N 2.83Å
464	N	87.9	Confident	87.5	Confident	76 Å²	76	42.8 Å²	42.8	41%	0.406	23%	0.225	S	C	.	.	H	α-helix	trans	-63.8	-39.4	-179.9	-53.8	-18.1	0	0	0	110.9	T409 N461 E467 T468	T409-N464 HydrophobicContact CG2-CB 3.93Å; N461-N464 WeakPolarHBondContact O-CA 3.34Å; N461-N464 WeakPolarHBondContact O-CB 3.3Å; N461-N464 PolarHBondContact O-N 3.16Å; N464-E467 PolarHBondContact O-N 2.69Å; N464-T468 WeakPolarHBondContact O-CB 3.48Å; N464-T468 PolarHBondContact O-N 3.3Å; N464-T468 PolarHBondContact O-OG1 3.39Å
465	A	89.3	Confident	87.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.7	-51.3	174.1	0	0	0	0	0	111.4	T409 N461 Y462 K463 E467 T468 V469 L502	T409-A465 WeakPolarHBondContact O-CB 3.19Å; N461-A465 PolarHBondContact O-N 3.46Å; Y462-A465 WeakPolarHBondContact O-CB 3.37Å; Y462-A465 PolarHBondContact O-N 2.99Å; K463-A465 VanDerWaalsContact C-N 3.33Å; K463-A465 PolarHBondContact O-N 3.22Å; A465-E467 PolarHBondContact O-N 2.9Å; A465-T468 PolarHBondContact O-N 3.02Å; A465-V469 WeakPolarHBondContact O-CG2 3.44Å; A465-V469 PolarHBondContact O-N 3.43Å; A465-L502 HydrophobicContact CB-CD1 4.5Å
466	I	88.6	Confident	87.2	Confident	18 Å²	18	49.7 Å²	49.7	9%	0.092	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-37.7	179.8	-67.4	-67.7	0	0	0	112.4	Y462 K463 K470 E499 L502	Y462-I466 HydrophobicContact CD2-CG1 4.14Å; Y462-I466 HydrophobicContact CE1-CG1 4.32Å; Y462-I466 HydrophobicContact CE2-CD1 3.87Å; Y462-I466 HydrophobicContact CE2-CG1 3.57Å; Y462-I466 WeakPolarHBondContact O-CG1 3.1Å; Y462-I466 PolarHBondContact O-N 3.08Å; Y462-I466 VanDerWaalsContact O-N 3.11Å; K463-I466 PolarHBondContact O-N 3.34Å; I466-K470 HydrophobicContact CG2-CD 4.22Å; I466-K470 WeakPolarHBondContact O-CD 3.49Å; I466-K470 WeakPolarHBondContact O-CG 3.33Å; I466-K470 PolarHBondContact O-N 2.72Å; I466-E499 HydrophobicContact CD1-CB 3.94Å; I466-E499 HydrophobicContact CD1-CG 3.96Å; I466-L502 HydrophobicContact CD1-CB 3.99Å; I466-L502 HydrophobicContact CD1-CD1 4.04Å
467	E	88.4	Confident	87.1	Confident	103 Å²	103	53.2 Å²	53.2	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-69.8	-38.5	175.6	-72.8	178.2	173.8	0	0	111.6	K463 N464 A465 K470 K471	K463-E467 VanDerWaalsContact CE-CD 3.42Å; K463-E467 WeakPolarHBondContact CE-OE1 3.31Å; K463-E467 WeakPolarHBondContact CE-OE2 3.45Å; K463-E467 IonicContact NZ-OE1 2.92Å; K463-E467 IonicContact NZ-OE2 3.26Å; K463-E467 PolarHBondContact O-N 2.83Å; N464-E467 PolarHBondContact O-N 2.69Å; A465-E467 PolarHBondContact O-N 2.9Å; E467-K470 PolarHBondContact O-N 2.91Å; E467-K471 WeakPolarHBondContact O-CB 3.42Å; E467-K471 PolarHBondContact O-N 3.47Å
468	T	89.4	Confident	86.8	Confident	20 Å²	20	56 Å²	56	12%	0.123	29%	0.292	C	S	.	.	H	α-helix	trans	-66.3	-45.3	174.2	-60.9	0	0	0	0	112	E406 I410 N464 A465 K470 K471 C472	E406-T468 HydrophobicContact CB-CG2 3.72Å; E406-T468 HydrophobicContact CG-CG2 3.92Å; I410-T468 HydrophobicContact CD1-CG2 3.88Å; I410-T468 HydrophobicContact CG1-CG2 3.78Å; N464-T468 WeakPolarHBondContact O-CB 3.48Å; N464-T468 PolarHBondContact O-N 3.3Å; N464-T468 PolarHBondContact O-OG1 3.39Å; A465-T468 PolarHBondContact O-N 3.02Å; T468-K470 VanDerWaalsContact C-N 3.26Å; T468-K470 PolarHBondContact O-N 3.26Å; T468-K471 PolarHBondContact O-N 3.05Å; T468-C472 WeakPolarHBondContact O-CB 3.25Å; T468-C472 PolarHBondContact O-N 2.96Å; T468-C472 PolarHBondContact O-SG 3.3Å
469	V	88.6	Confident	86.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-54.2	-44.1	174.9	171.3	0	0	0	0	111.3	I410 A465 S473 F479 L498 E499 L502	I410-V469 HydrophobicContact CB-CG2 4.4Å; I410-V469 HydrophobicContact CD1-CG2 4Å; I410-V469 HydrophobicContact CG1-CG2 3.84Å; I410-V469 HydrophobicContact CG2-CG2 3.68Å; A465-V469 WeakPolarHBondContact O-CG2 3.44Å; A465-V469 PolarHBondContact O-N 3.43Å; V469-S473 VanDerWaalsContact O-CB 3.24Å; V469-S473 WeakPolarHBondContact O-CB 3.27Å; V469-S473 PolarHBondContact O-N 3.39Å; V469-S473 PolarHBondContact O-OG 2.89Å; V469-F479 HydrophobicContact CG1-CE1 4.44Å; V469-L498 HydrophobicContact CG1-CD2 4.19Å; V469-L498 HydrophobicContact CG2-CD2 3.91Å; V469-L498 HydrophobicContact CG2-CG 4.32Å; V469-E499 HydrophobicContact CG1-CG 4.11Å; V469-L502 HydrophobicContact CG2-CD1 3.85Å
470	K	87.9	Confident	86.6	Confident	111 Å²	111	61 Å²	61	48%	0.483	31%	0.313	S	S	.	.	H	α-helix	trans	-68.5	-44.6	179.8	-72.8	166.5	-176.4	165.2	0	112.3	I466 E467 T468 S473 A474	I466-K470 HydrophobicContact CG2-CD 4.22Å; I466-K470 WeakPolarHBondContact O-CD 3.49Å; I466-K470 WeakPolarHBondContact O-CG 3.33Å; I466-K470 PolarHBondContact O-N 2.72Å; E467-K470 PolarHBondContact O-N 2.91Å; T468-K470 VanDerWaalsContact C-N 3.26Å; T468-K470 PolarHBondContact O-N 3.26Å; K470-S473 PolarHBondContact O-N 2.98Å; K470-A474 WeakPolarHBondContact O-CB 3.44Å; K470-A474 PolarHBondContact O-N 3.06Å
471	K	89.1	Confident	86.4	Confident	105 Å²	105	64.3 Å²	64.3	46%	0.457	33%	0.326	S	S	.	.	H	α-helix	trans	-58.2	-49.8	174.9	178.8	-164.7	172.4	-150.5	0	111.4	E406 E467 T468 S473 A474 N475	E406-K471 IonicContact OE1-NZ 3.42Å; E406-K471 PolarHBondContact OE1-NZ 2.8Å; E467-K471 WeakPolarHBondContact O-CB 3.42Å; E467-K471 PolarHBondContact O-N 3.47Å; T468-K471 PolarHBondContact O-N 3.05Å; K471-S473 PolarHBondContact O-N 2.99Å; K471-A474 PolarHBondContact O-N 3.33Å; K471-N475 WeakPolarHBondContact O-CB 3.39Å; K471-N475 PolarHBondContact O-N 3.2Å
472	C	87.6	Confident	86	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.034	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-38.5	178.7	-63.3	0	0	0	0	111.9	I402 T468 A474 N475 N476 F479	I402-C472 HydrophobicContact CG2-CB 3.73Å; I402-C472 VanDerWaalsContact CG2-SG 3.6Å; T468-C472 WeakPolarHBondContact O-CB 3.25Å; T468-C472 PolarHBondContact O-N 2.96Å; T468-C472 PolarHBondContact O-SG 3.3Å; C472-A474 PolarHBondContact O-N 2.92Å; C472-N475 PolarHBondContact O-N 2.81Å; C472-N476 PolarHBondContact O-N 3.16Å; C472-F479 HydrophobicContact CB-CD1 3.53Å; C472-F479 HydrophobicContact CB-CD2 4.26Å; C472-F479 HydrophobicContact CB-CE1 3.56Å; C472-F479 HydrophobicContact CB-CE2 4.28Å; C472-F479 HydrophobicContact CB-CG 3.88Å; C472-F479 HydrophobicContact CB-CZ 3.95Å
473	S	86.9	Confident	85.6	Confident	26 Å²	26	62.9 Å²	62.9	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-70.5	-26.3	177.2	-59.8	0	0	0	0	114.3	V469 K470 K471 F479	V469-S473 VanDerWaalsContact O-CB 3.24Å; V469-S473 WeakPolarHBondContact O-CB 3.27Å; V469-S473 PolarHBondContact O-N 3.39Å; V469-S473 PolarHBondContact O-OG 2.89Å; K470-S473 PolarHBondContact O-N 2.98Å; K471-S473 PolarHBondContact O-N 2.99Å; S473-F479 WeakPolarHBondContact OG-CD1 3.42Å; S473-F479 WeakPolarHBondContact OG-CE1 3.26Å
474	A	86.4	Confident	85.2	Confident	82 Å²	82	61.9 Å²	61.9	68%	0.678	33%	0.327	S	S	*	.	H	α-helix	trans	-79.9	-40.6	172.1	0	0	0	0	0	111.9	K470 K471 C472	K470-A474 WeakPolarHBondContact O-CB 3.44Å; K470-A474 PolarHBondContact O-N 3.06Å; K471-A474 PolarHBondContact O-N 3.33Å; C472-A474 PolarHBondContact O-N 2.92Å
475	N	85.9	Confident	84.2	Confident	123 Å²	123	62.9 Å²	62.9	66%	0.658	34%	0.336	S	S	*	.	H	α-helix	trans	-84.4	-26.3	-173	-67.7	-7.3	0	0	0	114.1	K471 C472	K471-N475 WeakPolarHBondContact O-CB 3.39Å; K471-N475 PolarHBondContact O-N 3.2Å; C472-N475 PolarHBondContact O-N 2.81Å
476	N	84.7	Confident	83.1	Confident	40 Å²	40	64.6 Å²	64.6	21%	0.214	35%	0.345	C	S	.	.			trans	-131.7	113.7	-175.7	-166.7	-31	0	0	0	112.7	V401 C472 Q478 F479 K480	V401-N476 WeakPolarHBondContact CA-ND2 3.45Å; V401-N476 PolarHBondContact O-ND2 2.86Å; C472-N476 PolarHBondContact O-N 3.16Å; N476-Q478 VanDerWaalsContact C-N 3.28Å; N476-Q478 PolarHBondContact O-N 2.75Å; N476-Q478 WeakPolarHBondContact OD1-CA 3.4Å; N476-Q478 WeakPolarHBondContact OD1-CB 3.47Å; N476-Q478 PolarHBondContact OD1-N 3.31Å; N476-F479 HydrophobicContact CB-CB 3.96Å; N476-F479 WeakPolarHBondContact O-CB 3.41Å; N476-F479 PolarHBondContact O-N 3.38Å; N476-F479 PolarHBondContact OD1-N 3.42Å; N476-K480 PolarHBondContact O-N 3.17Å; N476-K480 VanDerWaalsContact O-N 3.08Å
477	P	83.8	Confident	81.6	Confident	105 Å²	105	66.5 Å²	66.5	68%	0.682	36%	0.358	S	S	*	.	H	α-helix	trans	-68.6	-24.1	179	29.1	-35.1	0	0	0	113.3	K481	P477-K481 WeakPolarHBondContact O-CB 3.45Å; P477-K481 PolarHBondContact O-N 2.76Å
478	Q	80.9	Confident	80	Confident	91 Å²	91	62 Å²	62	43%	0.425	34%	0.337	S	S	.	.	H	α-helix	trans	-72.3	-38.2	173.4	-174.8	171.2	-28.6	0	0	111.1	V401 N476 K481 I482	V401-Q478 HydrophobicContact CG1-CB 4.39Å; V401-Q478 HydrophobicContact CG1-CG 4.49Å; V401-Q478 HydrophobicContact CG2-CB 4.21Å; V401-Q478 HydrophobicContact CG2-CG 3.78Å; V401-Q478 VanDerWaalsContact CG2-NE2 3.3Å; N476-Q478 VanDerWaalsContact C-N 3.28Å; N476-Q478 PolarHBondContact O-N 2.75Å; N476-Q478 WeakPolarHBondContact OD1-CA 3.4Å; N476-Q478 WeakPolarHBondContact OD1-CB 3.47Å; N476-Q478 PolarHBondContact OD1-N 3.31Å; Q478-K481 PolarHBondContact O-N 3.17Å; Q478-I482 HydrophobicContact CG-CD1 4.24Å; Q478-I482 VanDerWaalsContact O-CG1 3.32Å; Q478-I482 WeakPolarHBondContact O-CG1 3.37Å; Q478-I482 PolarHBondContact O-N 2.87Å
479	F	85.3	Confident	78.2	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.5	-51.7	171.3	-173.3	-100.6	0	0	0	110.3	I391 V401 I402 I410 V469 C472 S473 N476 K481 I482 V483	I391-F479 HydrophobicContact CD1-CE2 3.75Å; I391-F479 HydrophobicContact CD1-CZ 4.29Å; I391-F479 HydrophobicContact CG1-CE2 4.13Å; I391-F479 HydrophobicContact CG2-CE2 4.42Å; V401-F479 HydrophobicContact CG1-CB 3.53Å; V401-F479 HydrophobicContact CG1-CD2 4.11Å; V401-F479 HydrophobicContact CG1-CG 4.33Å; I402-F479 HydrophobicContact CD1-CE2 4.13Å; I402-F479 HydrophobicContact CG2-CB 4.5Å; I402-F479 HydrophobicContact CG2-CD2 3.41Å; I402-F479 VanDerWaalsContact CG2-CD2 3.41Å; I402-F479 HydrophobicContact CG2-CE2 3.76Å; I402-F479 HydrophobicContact CG2-CG 4.04Å; I410-F479 HydrophobicContact CD1-CE2 4.36Å; I410-F479 HydrophobicContact CD1-CZ 3.91Å; V469-F479 HydrophobicContact CG1-CE1 4.44Å; C472-F479 HydrophobicContact CB-CD1 3.53Å; C472-F479 HydrophobicContact CB-CD2 4.26Å; C472-F479 HydrophobicContact CB-CE1 3.56Å; C472-F479 HydrophobicContact CB-CE2 4.28Å; C472-F479 HydrophobicContact CB-CG 3.88Å; C472-F479 HydrophobicContact CB-CZ 3.95Å; S473-F479 WeakPolarHBondContact OG-CD1 3.42Å; S473-F479 WeakPolarHBondContact OG-CE1 3.26Å; N476-F479 HydrophobicContact CB-CB 3.96Å; N476-F479 WeakPolarHBondContact O-CB 3.41Å; N476-F479 PolarHBondContact O-N 3.38Å; N476-F479 PolarHBondContact OD1-N 3.42Å; F479-K481 VanDerWaalsContact C-N 3.28Å; F479-K481 PolarHBondContact O-N 3.37Å; F479-I482 PolarHBondContact O-N 3.46Å; F479-I482 VanDerWaalsContact O-N 3.08Å; F479-V483 HydrophobicContact CD1-CG2 3.85Å; F479-V483 HydrophobicContact CE1-CG2 3.49Å; F479-V483 VanDerWaalsContact CE1-CG2 3.49Å; F479-V483 HydrophobicContact CE2-CG2 4.32Å; F479-V483 HydrophobicContact CG-CG2 4.43Å; F479-V483 HydrophobicContact CZ-CG2 3.75Å; F479-V483 WeakPolarHBondContact O-CG2 3.3Å; F479-V483 PolarHBondContact O-N 3.38Å
480	K	83.9	Confident	76.5	Confident	123 Å²	123	69 Å²	69	54%	0.535	37%	0.374	S	S	.	.	H	α-helix	trans	-54.7	-43.9	176.6	-171.4	178.7	179.4	-178.6	0	111.8	N476 V483 S484	N476-K480 PolarHBondContact O-N 3.17Å; N476-K480 VanDerWaalsContact O-N 3.08Å; K480-V483 PolarHBondContact O-N 3.37Å; K480-S484 WeakPolarHBondContact O-CB 3.46Å; K480-S484 PolarHBondContact O-N 3.01Å; K480-S484 PolarHBondContact O-OG 2.84Å
481	K	81.8	Confident	74.6	Confident	151 Å²	151	72.7 Å²	72.7	66%	0.657	39%	0.392	S	S	*	.	H	α-helix	trans	-61.7	-44.9	176	-173.1	174.5	-179.6	179	0	112.2	P477 Q478 F479 S484 T485	P477-K481 WeakPolarHBondContact O-CB 3.45Å; P477-K481 PolarHBondContact O-N 2.76Å; Q478-K481 PolarHBondContact O-N 3.17Å; F479-K481 VanDerWaalsContact C-N 3.28Å; F479-K481 PolarHBondContact O-N 3.37Å; K481-S484 CarbonylContact O-C 3.6Å; K481-S484 PolarHBondContact O-N 3.13Å; K481-T485 VanDerWaalsContact O-CB 3.3Å; K481-T485 WeakPolarHBondContact O-CB 3.18Å; K481-T485 PolarHBondContact O-N 3.31Å; K481-T485 PolarHBondContact O-OG1 3.3Å
482	I	79.1	Confident	72.5	Confident	31 Å²	31	72 Å²	72	16%	0.159	40%	0.397	C	S	.	.	H	α-helix	trans	-61.6	-48.2	176.8	-67.5	162.1	0	0	0	110.3	A390 I391 T394 Q478 F479 S484 T485 I486	A390-I482 HydrophobicContact CB-CG2 4.37Å; I391-I482 HydrophobicContact CG1-CG2 4.07Å; T394-I482 HydrophobicContact CG2-CD1 3.64Å; Q478-I482 HydrophobicContact CG-CD1 4.24Å; Q478-I482 VanDerWaalsContact O-CG1 3.32Å; Q478-I482 WeakPolarHBondContact O-CG1 3.37Å; Q478-I482 PolarHBondContact O-N 2.87Å; F479-I482 PolarHBondContact O-N 3.46Å; F479-I482 VanDerWaalsContact O-N 3.08Å; I482-S484 VanDerWaalsContact C-N 3.31Å; I482-S484 PolarHBondContact O-N 2.77Å; I482-T485 PolarHBondContact O-N 3.21Å; I482-T485 VanDerWaalsContact O-N 3.1Å; I482-I486 HydrophobicContact CG2-CD1 4.08Å; I482-I486 PolarHBondContact O-N 3.3Å
483	V	78.9	Confident	70.2	Confident	13 Å²	13	81.1 Å²	81.1	8%	0.079	44%	0.439	C	S	.	.	H	α-helix	trans	-57	-43.6	178	173.8	0	0	0	0	111.6	Y387 F479 K480 L498	Y387-V483 WeakPolarHBondContact CE1-O 3.32Å; Y387-V483 PolarHBondContact OH-O 3.05Å; F479-V483 HydrophobicContact CD1-CG2 3.85Å; F479-V483 HydrophobicContact CE1-CG2 3.49Å; F479-V483 VanDerWaalsContact CE1-CG2 3.49Å; F479-V483 HydrophobicContact CE2-CG2 4.32Å; F479-V483 HydrophobicContact CG-CG2 4.43Å; F479-V483 HydrophobicContact CZ-CG2 3.75Å; F479-V483 WeakPolarHBondContact O-CG2 3.3Å; F479-V483 PolarHBondContact O-N 3.38Å; K480-V483 PolarHBondContact O-N 3.37Å; V483-L498 HydrophobicContact CG1-CB 3.92Å; V483-L498 HydrophobicContact CG1-CD2 4.49Å; V483-L498 HydrophobicContact CG2-CD2 4.03Å
484	S	74.4	Confident	68.7	Low	76 Å²	76	86.9 Å²	86.9	53%	0.531	46%	0.463	S	S	.	.	H	α-helix	trans	-82.1	-4.3	178	-57.9	0	0	0	0	115.5	K480 K481 I482 V487	K480-S484 WeakPolarHBondContact O-CB 3.46Å; K480-S484 PolarHBondContact O-N 3.01Å; K480-S484 PolarHBondContact O-OG 2.84Å; K481-S484 CarbonylContact O-C 3.6Å; K481-S484 PolarHBondContact O-N 3.13Å; I482-S484 VanDerWaalsContact C-N 3.31Å; I482-S484 PolarHBondContact O-N 2.77Å; S484-V487 WeakPolarHBondContact O-CG2 3.5Å
485	T	67.1	Low	67.5	Low	97 Å²	97	87 Å²	87	60%	0.595	46%	0.459	S	S	*	.	H	α-helix	trans	-95.8	-34.3	179.5	-59.6	0	0	0	0	112.3	K481 I482 V487	K481-T485 VanDerWaalsContact O-CB 3.3Å; K481-T485 WeakPolarHBondContact O-CB 3.18Å; K481-T485 PolarHBondContact O-N 3.31Å; K481-T485 PolarHBondContact O-OG1 3.3Å; I482-T485 PolarHBondContact O-N 3.21Å; I482-T485 VanDerWaalsContact O-N 3.1Å; T485-V487 PolarHBondContact O-N 3Å
486	I	65.5	Low	66.6	Low	37 Å²	37	82.1 Å²	82.1	19%	0.19	43%	0.433	C	S	.	.	S	Bend	trans	-88.7	41	-175.5	-44.5	172.5	0	0	0	110.6	Y387 A390 I482 L488	Y387-I486 HydrophobicContact CD1-CB 4.02Å; Y387-I486 HydrophobicContact CD1-CD1 3.93Å; Y387-I486 HydrophobicContact CD1-CG1 4.4Å; Y387-I486 HydrophobicContact CE1-CB 3.61Å; Y387-I486 HydrophobicContact CE1-CD1 4.27Å; Y387-I486 HydrophobicContact CE1-CG1 4.25Å; Y387-I486 HydrophobicContact CE1-CG2 4.44Å; Y387-I486 HydrophobicContact CE2-CB 4.33Å; Y387-I486 HydrophobicContact CE2-CG2 4.46Å; Y387-I486 PolarHBondContact OH-O 2.81Å; Y387-I486 VanDerWaalsContact OH-O 3.09Å; A390-I486 HydrophobicContact CB-CD1 3.41Å; A390-I486 VanDerWaalsContact CB-CD1 3.41Å; I482-I486 HydrophobicContact CG2-CD1 4.08Å; I482-I486 PolarHBondContact O-N 3.3Å; I486-L488 PolarHBondContact O-N 2.93Å
487	V	58.1	Low	66.4	Low	58 Å²	58	83.1 Å²	83.1	35%	0.352	44%	0.441	S	S	.	.			trans	-60	135.7	-179.6	168.8	0	0	0	0	110.7	S484 T485 N489	S484-V487 WeakPolarHBondContact O-CG2 3.5Å; T485-V487 PolarHBondContact O-N 3Å; V487-N489 PolarHBondContact O-N 3.46Å
488	L	54.4	Low	66.4	Low	8 Å²	8	78.1 Å²	78.1	4%	0.042	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-85.6	100	179.7	-135	179.7	0	0	0	110.6	K383 I486 L490 L496 L501	K383-L488 HydrophobicContact CB-CD1 3.66Å; K383-L488 HydrophobicContact CB-CG 4.03Å; K383-L488 HydrophobicContact CD-CD1 4.43Å; K383-L488 HydrophobicContact CD-CD2 4.28Å; K383-L488 HydrophobicContact CD-CG 3.88Å; K383-L488 HydrophobicContact CG-CD1 3.64Å; K383-L488 HydrophobicContact CG-CD2 4.04Å; K383-L488 HydrophobicContact CG-CG 3.62Å; I486-L488 PolarHBondContact O-N 2.93Å; L488-L490 HydrophobicContact CB-CD1 4.28Å; L488-L490 HydrophobicContact CD1-CD1 4.29Å; L488-L490 HydrophobicContact CD2-CD1 3.78Å; L488-L490 HydrophobicContact CD2-CG 4.03Å; L488-L490 HydrophobicContact CG-CD1 4.31Å; L488-L490 PolarHBondContact O-N 3.36Å; L488-L496 HydrophobicContact CB-CB 4.23Å; L488-L496 HydrophobicContact CD1-CD1 4.29Å; L488-L501 HydrophobicContact CD1-CD1 4.41Å; L488-L501 HydrophobicContact CD1-CD2 3.76Å
489	N	52.8	Low	66.5	Low	134 Å²	134	76.3 Å²	76.3	72%	0.717	40%	0.4	S	S	*	.			trans	-80.4	104.1	161.3	-71.5	-7.4	0	0	0	108.5	V487	V487-N489 PolarHBondContact O-N 3.46Å
490	L	52.8	Low	66.3	Low	34 Å²	34	79.9 Å²	79.9	18%	0.178	42%	0.419	C	S	.	.			trans	-80.5	173.6	160.2	-66.6	91.2	0	0	0	108.9	I376 L488 T492 L496	I376-L490 HydrophobicContact CG2-CD2 4.03Å; L488-L490 HydrophobicContact CB-CD1 4.28Å; L488-L490 HydrophobicContact CD1-CD1 4.29Å; L488-L490 HydrophobicContact CD2-CD1 3.78Å; L488-L490 HydrophobicContact CD2-CG 4.03Å; L488-L490 HydrophobicContact CG-CD1 4.31Å; L488-L490 PolarHBondContact O-N 3.36Å; L490-T492 CarbonylContact C-O 3.58Å; L490-T492 CarbonylContact O-C 3.59Å; L490-T492 PolarHBondContact O-N 3.41Å; L490-T492 VanDerWaalsContact O-N 3.16Å; L490-L496 HydrophobicContact CD1-CD1 3.76Å; L490-L496 HydrophobicContact CD1-CG 4.45Å
491	Q	47	Very low	66.4	Low	187 Å²	187	74 Å²	74	87%	0.874	39%	0.393	S	S	*	.	S	Bend	trans	-63.1	-11.7	166.6	-70.7	84.7	-4.4	0	0	113.1
492	T	45.3	Very low	66.7	Low	92 Å²	92	66.8 Å²	66.8	56%	0.564	36%	0.362	S	S	*	.	S	Bend	trans	-94.2	127.9	159.7	41.4	0	0	0	0	109.5	L490 Q494	L490-T492 CarbonylContact C-O 3.58Å; L490-T492 CarbonylContact O-C 3.59Å; L490-T492 PolarHBondContact O-N 3.41Å; L490-T492 VanDerWaalsContact O-N 3.16Å; T492-Q494 PolarHBondContact O-N 3.26Å
493	E	40.1	Very low	67	Low	196 Å²	196	68 Å²	68	92%	0.916	37%	0.367	S	S	*	.			trans	-70.9	31	-167.1	-54.2	-176.5	137.9	0	0	115.8
494	Q	54	Low	67.2	Low	146 Å²	146	70.3 Å²	70.3	68%	0.682	38%	0.375	S	S	*	.			trans	-101	112.3	-177.2	-67.1	-175.9	2.1	0	0	111.9	T492 L496	T492-Q494 PolarHBondContact O-N 3.26Å; Q494-L496 PolarHBondContact O-N 2.82Å; Q494-L496 VanDerWaalsContact O-N 3.09Å
495	S	61.3	Low	67.8	Low	84 Å²	84	66.7 Å²	66.7	59%	0.587	35%	0.35	S	S	*	.			trans	-69.5	95.9	174.4	41.7	0	0	0	0	112.2
496	L	66.5	Low	68.6	Low	22 Å²	22	62.5 Å²	62.5	12%	0.115	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-72.3	134.7	175.5	-68.2	170.8	0	0	0	111.9	L488 L490 Q494 D500 L501	L488-L496 HydrophobicContact CB-CB 4.23Å; L488-L496 HydrophobicContact CD1-CD1 4.29Å; L490-L496 HydrophobicContact CD1-CD1 3.76Å; L490-L496 HydrophobicContact CD1-CG 4.45Å; Q494-L496 PolarHBondContact O-N 2.82Å; Q494-L496 VanDerWaalsContact O-N 3.09Å; L496-D500 HydrophobicContact CB-CB 4.46Å; L496-D500 HydrophobicContact CD2-CB 3.91Å; L496-L501 HydrophobicContact CB-CD2 4.44Å; L496-L501 HydrophobicContact CB-CG 4.33Å; L496-L501 HydrophobicContact CD1-CD2 4.08Å
497	T	80.9	Confident	69	Low	61 Å²	61	62.3 Å²	62.3	37%	0.374	33%	0.328	S	S	.	.			trans	-81.9	168.2	171.7	68.9	0	0	0	0	112.2	E499 D500 L501	T497-E499 VanDerWaalsContact C-N 3.3Å; T497-E499 PolarHBondContact O-N 3.07Å; T497-D500 WeakPolarHBondContact CB-OD2 3.35Å; T497-D500 WeakPolarHBondContact CG2-OD2 3.47Å; T497-D500 PolarHBondContact N-OD2 2.86Å; T497-D500 PolarHBondContact O-N 3.14Å; T497-D500 PolarHBondContact OG1-N 3.3Å; T497-D500 VanDerWaalsContact OG1-N 3.1Å; T497-D500 PolarHBondContact OG1-OD2 2.61Å; T497-L501 WeakPolarHBondContact O-CG 3.41Å; T497-L501 PolarHBondContact O-N 3.23Å
498	L	83.5	Confident	70.3	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-37.6	173.1	179.5	58.5	0	0	0	111.4	Y387 I410 F411 V469 V483 L501 L502	Y387-L498 HydrophobicContact CD2-CD1 4.01Å; Y387-L498 HydrophobicContact CE2-CD1 4.44Å; Y387-L498 HydrophobicContact CG-CD1 4.05Å; I410-L498 HydrophobicContact CG2-CD2 4.4Å; F411-L498 HydrophobicContact CE1-CD1 3.98Å; F411-L498 HydrophobicContact CZ-CD1 4.17Å; F411-L498 HydrophobicContact CZ-CD2 4.31Å; V469-L498 HydrophobicContact CG1-CD2 4.19Å; V469-L498 HydrophobicContact CG2-CD2 3.91Å; V469-L498 HydrophobicContact CG2-CG 4.32Å; V483-L498 HydrophobicContact CG1-CB 3.92Å; V483-L498 HydrophobicContact CG1-CD2 4.49Å; V483-L498 HydrophobicContact CG2-CD2 4.03Å; L498-L501 PolarHBondContact O-N 3.17Å; L498-L502 HydrophobicContact CD1-CD1 4.47Å; L498-L502 HydrophobicContact CD1-CG 4.35Å; L498-L502 HydrophobicContact CG-CD1 4.23Å; L498-L502 WeakPolarHBondContact O-CG 3.27Å; L498-L502 PolarHBondContact O-N 3.09Å
499	E	83.9	Confident	71.6	Confident	53 Å²	53	59.9 Å²	59.9	25%	0.248	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-40.6	173.1	-65.6	98.6	132.1	0	0	112.9	I466 V469 T497 L501 L502 H503	I466-E499 HydrophobicContact CD1-CB 3.94Å; I466-E499 HydrophobicContact CD1-CG 3.96Å; V469-E499 HydrophobicContact CG1-CG 4.11Å; T497-E499 VanDerWaalsContact C-N 3.3Å; T497-E499 PolarHBondContact O-N 3.07Å; E499-L501 VanDerWaalsContact C-N 3.28Å; E499-L501 PolarHBondContact O-N 3.48Å; E499-L502 PolarHBondContact O-N 3.08Å; E499-H503 PolarHBondContact O-N 3.19Å; E499-H503 VanDerWaalsContact O-N 3.16Å
500	D	81.7	Confident	72.6	Confident	74 Å²	74	54.6 Å²	54.6	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-66.1	-32.2	175.3	-62.1	-55.8	0	0	0	112.4	L496 T497 K504	L496-D500 HydrophobicContact CB-CB 4.46Å; L496-D500 HydrophobicContact CD2-CB 3.91Å; T497-D500 WeakPolarHBondContact CB-OD2 3.35Å; T497-D500 WeakPolarHBondContact CG2-OD2 3.47Å; T497-D500 PolarHBondContact N-OD2 2.86Å; T497-D500 PolarHBondContact O-N 3.14Å; T497-D500 PolarHBondContact OG1-N 3.3Å; T497-D500 VanDerWaalsContact OG1-N 3.1Å; T497-D500 PolarHBondContact OG1-OD2 2.61Å; D500-K504 WeakPolarHBondContact O-CE 3.36Å; D500-K504 WeakPolarHBondContact O-CG 3.31Å
501	L	85.2	Confident	73.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-72.2	-46.4	176.2	-72.7	170.7	0	0	0	111.6	C380 M384 Y387 L488 L496 T497 L498 E499 H503 K504	C380-L501 HydrophobicContact CB-CD2 3.83Å; M384-L501 HydrophobicContact CE-CB 4.11Å; M384-L501 WeakPolarHBondContact CE-O 3.16Å; M384-L501 HydrophobicContact CG-CB 3.75Å; M384-L501 HydrophobicContact CG-CD1 4.48Å; M384-L501 HydrophobicContact SD-CB 4.05Å; Y387-L501 HydrophobicContact CD2-CD1 4.06Å; Y387-L501 HydrophobicContact CE2-CD1 3.59Å; L488-L501 HydrophobicContact CD1-CD1 4.41Å; L488-L501 HydrophobicContact CD1-CD2 3.76Å; L496-L501 HydrophobicContact CB-CD2 4.44Å; L496-L501 HydrophobicContact CB-CG 4.33Å; L496-L501 HydrophobicContact CD1-CD2 4.08Å; T497-L501 WeakPolarHBondContact O-CG 3.41Å; T497-L501 PolarHBondContact O-N 3.23Å; L498-L501 PolarHBondContact O-N 3.17Å; E499-L501 VanDerWaalsContact C-N 3.28Å; E499-L501 PolarHBondContact O-N 3.48Å; L501-H503 PolarHBondContact O-N 2.66Å; L501-H503 VanDerWaalsContact O-N 3.14Å; L501-K504 HydrophobicContact CD2-CG 4.39Å; L501-K504 WeakPolarHBondContact O-CB 3.42Å; L501-K504 VanDerWaalsContact O-CG 3.31Å; L501-K504 WeakPolarHBondContact O-CG 3.3Å; L501-K504 PolarHBondContact O-N 3.4Å
502	L	88.1	Confident	75.3	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-23.4	174.3	-70.5	169.8	0	0	0	112.7	M384 I410 I414 F458 Y462 A465 I466 V469 L498 E499 P505	M384-L502 HydrophobicContact SD-CD2 4.34Å; I410-L502 HydrophobicContact CG2-CD1 4.26Å; I410-L502 WeakPolarHBondContact O-CD2 3.45Å; I414-L502 HydrophobicContact CD1-CD2 4.45Å; F458-L502 WeakPolarHBondContact CZ-O 3.34Å; Y462-L502 HydrophobicContact CE2-CB 4.11Å; Y462-L502 VanDerWaalsContact CE2-O 3.25Å; Y462-L502 WeakPolarHBondContact CE2-O 3.44Å; A465-L502 HydrophobicContact CB-CD1 4.5Å; I466-L502 HydrophobicContact CD1-CB 3.99Å; I466-L502 HydrophobicContact CD1-CD1 4.04Å; V469-L502 HydrophobicContact CG2-CD1 3.85Å; L498-L502 HydrophobicContact CD1-CD1 4.47Å; L498-L502 HydrophobicContact CD1-CG 4.35Å; L498-L502 HydrophobicContact CG-CD1 4.23Å; L498-L502 WeakPolarHBondContact O-CG 3.27Å; L498-L502 PolarHBondContact O-N 3.09Å; E499-L502 PolarHBondContact O-N 3.08Å; L502-P505 WeakPolarHBondContact O-CD 2.89Å
503	H	84.5	Confident	76.8	Confident	56 Å²	56	44.1 Å²	44.1	26%	0.259	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-18.1	172.6	-171.5	-108.5	0	0	0	114.1	Y462 E499 L501 V506 A507	Y462-H503 PolarHBondContact OH-CD2 2.95Å; E499-H503 PolarHBondContact O-N 3.19Å; E499-H503 VanDerWaalsContact O-N 3.16Å; L501-H503 PolarHBondContact O-N 2.66Å; L501-H503 VanDerWaalsContact O-N 3.14Å; H503-V506 VanDerWaalsContact O-CB 3.31Å; H503-V506 WeakPolarHBondContact O-CB 3.24Å; H503-V506 PolarHBondContact O-N 2.87Å; H503-V506 VanDerWaalsContact O-N 3.09Å; H503-A507 PolarHBondContact O-N 2.9Å
504	K	84.9	Confident	78.5	Confident	61 Å²	61	37.1 Å²	37.1	27%	0.265	20%	0.2	S	C	.	.	H	α-helix	trans	-58.4	-41.7	-176.5	-56.5	-68.8	179.4	178	0	113.4	Y377 C380 M384 D500 L501 V506 A507 R508	Y377-K504 HydrophobicContact CD2-CB 4.08Å; Y377-K504 HydrophobicContact CE2-CB 3.83Å; C380-K504 HydrophobicContact CB-CG 4.16Å; M384-K504 HydrophobicContact CE-CB 4.37Å; D500-K504 WeakPolarHBondContact O-CE 3.36Å; D500-K504 WeakPolarHBondContact O-CG 3.31Å; L501-K504 HydrophobicContact CD2-CG 4.39Å; L501-K504 WeakPolarHBondContact O-CB 3.42Å; L501-K504 VanDerWaalsContact O-CG 3.31Å; L501-K504 WeakPolarHBondContact O-CG 3.3Å; L501-K504 PolarHBondContact O-N 3.4Å; K504-V506 VanDerWaalsContact C-N 3.3Å; K504-V506 PolarHBondContact O-N 3.3Å; K504-A507 PolarHBondContact O-N 3.28Å; K504-R508 PolarHBondContact O-N 3.13Å
505	P	86.7	Confident	79.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-34.9	176.2	-22	34	0	0	0	113	Y377 L417 Y455 F458 L502 A507 R508 V509	Y377-P505 HydrophobicContact CE2-CG 4.43Å; Y377-P505 VanDerWaalsContact OH-CA 3.28Å; Y377-P505 WeakPolarHBondContact OH-CA 3.39Å; Y377-P505 WeakPolarHBondContact OH-CB 3.28Å; Y377-P505 WeakPolarHBondContact OH-CG 3.48Å; L417-P505 HydrophobicContact CD1-CB 4.21Å; L417-P505 HydrophobicContact CD1-CG 4.31Å; Y455-P505 HydrophobicContact CE1-CB 4.03Å; Y455-P505 WeakPolarHBondContact CE1-O 3.41Å; F458-P505 HydrophobicContact CD1-CB 4.06Å; F458-P505 HydrophobicContact CE1-CB 3.72Å; F458-P505 HydrophobicContact CE1-CG 3.94Å; F458-P505 HydrophobicContact CE2-CG 4.49Å; F458-P505 HydrophobicContact CZ-CB 4.19Å; F458-P505 HydrophobicContact CZ-CG 3.89Å; L502-P505 WeakPolarHBondContact O-CD 2.89Å; P505-A507 VanDerWaalsContact C-N 3.3Å; P505-A507 PolarHBondContact O-N 3.14Å; P505-R508 PolarHBondContact O-N 3.44Å; P505-V509 PolarHBondContact O-N 2.84Å; P505-V509 VanDerWaalsContact O-N 3.13Å
506	V	82.9	Confident	80.6	Confident	10 Å²	10	27.2 Å²	27.2	6%	0.061	15%	0.146	C	C	.	.	H	α-helix	trans	-61.5	-40.7	175.7	-164.3	0	0	0	0	110.9	F458 L459 Y462 H503 K504 V509	F458-V506 HydrophobicContact CE1-CG2 4.34Å; L459-V506 HydrophobicContact CD2-CB 4.21Å; L459-V506 HydrophobicContact CD2-CG1 4.05Å; L459-V506 HydrophobicContact CD2-CG2 3.77Å; Y462-V506 HydrophobicContact CD1-CG2 4.3Å; Y462-V506 HydrophobicContact CD2-CG2 4.16Å; Y462-V506 HydrophobicContact CE1-CG2 4.25Å; Y462-V506 HydrophobicContact CE2-CG2 4.12Å; Y462-V506 HydrophobicContact CG-CG2 4.26Å; H503-V506 VanDerWaalsContact O-CB 3.31Å; H503-V506 WeakPolarHBondContact O-CB 3.24Å; H503-V506 PolarHBondContact O-N 2.87Å; H503-V506 VanDerWaalsContact O-N 3.09Å; K504-V506 VanDerWaalsContact C-N 3.3Å; K504-V506 PolarHBondContact O-N 3.3Å; V506-V509 WeakPolarHBondContact O-CG1 3.41Å
507	A	74.8	Confident	81	Confident	32 Å²	32	29.4 Å²	29.4	26%	0.264	16%	0.158	S	C	.	.	H	α-helix	trans	-72.4	-37.9	173	0	0	0	0	0	112.6	H503 K504 P505 V509 Q510 I511	H503-A507 PolarHBondContact O-N 2.9Å; K504-A507 PolarHBondContact O-N 3.28Å; P505-A507 VanDerWaalsContact C-N 3.3Å; P505-A507 PolarHBondContact O-N 3.14Å; A507-V509 PolarHBondContact O-N 3.07Å; A507-Q510 PolarHBondContact O-N 3.16Å; A507-I511 WeakPolarHBondContact O-CG1 3.31Å; A507-I511 PolarHBondContact O-N 3.46Å
508	R	85.2	Confident	80.7	Confident	9 Å²	9	29.6 Å²	29.6	3%	0.034	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-43.3	-176.3	-164.1	71.9	-178.9	152.1	7.7	112.4	S373 E374 Y377 K504 P505 Q510 I511 N512	S373-R508 PolarHBondContact OG-NH1 3.15Å; S373-R508 PolarHBondContact OG-NH2 2.92Å; S373-R508 VanDerWaalsContact OG-NH2 3.13Å; E374-R508 IonicContact OE1-CZ 3.87Å; E374-R508 IonicContact OE1-NE 3.72Å; E374-R508 IonicContact OE1-NH2 2.77Å; E374-R508 IonicContact OE2-CZ 2.66Å; E374-R508 IonicContact OE2-NE 2.98Å; E374-R508 PolarHBondContact OE2-NE 2.95Å; E374-R508 IonicContact OE2-NH2 3.3Å; E374-R508 PolarHBondContact OE2-NH2 3.41Å; Y377-R508 HydrophobicContact CD1-CG 3.79Å; Y377-R508 HydrophobicContact CD2-CB 4.11Å; Y377-R508 HydrophobicContact CD2-CG 4.15Å; Y377-R508 HydrophobicContact CE1-CB 4.11Å; Y377-R508 HydrophobicContact CE1-CG 3.64Å; Y377-R508 HydrophobicContact CE2-CB 3.7Å; Y377-R508 HydrophobicContact CE2-CG 4.05Å; Y377-R508 HydrophobicContact CG-CB 4.49Å; Y377-R508 HydrophobicContact CG-CG 4.02Å; K504-R508 PolarHBondContact O-N 3.13Å; P505-R508 PolarHBondContact O-N 3.44Å; R508-Q510 VanDerWaalsContact C-N 3.26Å; R508-Q510 PolarHBondContact O-N 3.46Å; R508-I511 PolarHBondContact O-N 2.98Å; R508-I511 VanDerWaalsContact O-N 3.16Å; R508-N512 PolarHBondContact O-N 2.92Å; R508-N512 PolarHBondContact O-OD1 3.03Å
509	V	81.1	Confident	80.6	Confident	6 Å²	6	29.7 Å²	29.7	4%	0.036	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-31.2	178.6	68.4	0	0	0	0	112.8	F452 Y455 P505 V506 A507 A513 I540 F543	F452-V509 HydrophobicContact CD1-CG2 4.25Å; F452-V509 HydrophobicContact CE1-CG2 4.01Å; Y455-V509 HydrophobicContact CD1-CB 3.92Å; Y455-V509 HydrophobicContact CD1-CG1 4.41Å; Y455-V509 HydrophobicContact CD1-CG2 4.35Å; Y455-V509 HydrophobicContact CE1-CB 3.94Å; P505-V509 PolarHBondContact O-N 2.84Å; P505-V509 VanDerWaalsContact O-N 3.13Å; V506-V509 WeakPolarHBondContact O-CG1 3.41Å; A507-V509 PolarHBondContact O-N 3.07Å; V509-A513 PolarHBondContact O-N 3.46Å; V509-I540 HydrophobicContact CG2-CD1 3.8Å; V509-F543 HydrophobicContact CG2-CD1 4.26Å; V509-F543 HydrophobicContact CG2-CE1 3.65Å; V509-F543 HydrophobicContact CG2-CZ 4.43Å
510	Q	74.3	Confident	80.5	Confident	24 Å²	24	28.2 Å²	28.2	11%	0.112	15%	0.15	C	C	.	.	H	α-helix	trans	-69.9	-42.8	172.7	-61.8	177.9	8.4	0	0	112	A507 R508 A513 L514	A507-Q510 PolarHBondContact O-N 3.16Å; R508-Q510 VanDerWaalsContact C-N 3.26Å; R508-Q510 PolarHBondContact O-N 3.46Å; Q510-A513 WeakPolarHBondContact O-CB 3.37Å; Q510-A513 PolarHBondContact O-N 3.47Å; Q510-L514 PolarHBondContact O-N 3.11Å
511	I	76.4	Confident	80.5	Confident	75 Å²	75	32.2 Å²	32.2	39%	0.385	16%	0.16	S	C	.	.	H	α-helix	trans	-63.4	-44.4	177	-67.6	164.4	0	0	0	110.7	A507 R508 A513 L514 V515	A507-I511 WeakPolarHBondContact O-CG1 3.31Å; A507-I511 PolarHBondContact O-N 3.46Å; R508-I511 PolarHBondContact O-N 2.98Å; R508-I511 VanDerWaalsContact O-N 3.16Å; I511-A513 VanDerWaalsContact C-N 3.28Å; I511-A513 PolarHBondContact O-N 2.92Å; I511-L514 WeakPolarHBondContact O-CB 3.42Å; I511-L514 PolarHBondContact O-N 2.77Å; I511-L514 VanDerWaalsContact O-N 3.09Å; I511-V515 HydrophobicContact CG2-CG2 4.4Å; I511-V515 WeakPolarHBondContact O-CG2 3.32Å; I511-V515 PolarHBondContact O-N 3.44Å; I511-V515 VanDerWaalsContact O-N 3.09Å
512	N	80.4	Confident	80	Confident	7 Å²	7	33.9 Å²	33.9	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-59	-40.3	179	-67.1	-3.6	0	0	0	111.5	R508 L514 V515 F516	R508-N512 PolarHBondContact O-N 2.92Å; R508-N512 PolarHBondContact O-OD1 3.03Å; N512-L514 VanDerWaalsContact C-N 3.28Å; N512-L514 PolarHBondContact O-N 2.98Å; N512-V515 PolarHBondContact O-N 3.28Å; N512-V515 VanDerWaalsContact O-N 3.15Å; N512-F516 HydrophobicContact CB-CE2 4.12Å; N512-F516 WeakPolarHBondContact O-CD2 3.42Å; N512-F516 PolarHBondContact O-N 2.77Å
513	A	76.2	Confident	79.6	Confident	10 Å²	10	34 Å²	34	8%	0.083	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-36.7	175.9	0	0	0	0	0	113.6	V509 Q510 I511 N517 I540 L544	V509-A513 PolarHBondContact O-N 3.46Å; Q510-A513 WeakPolarHBondContact O-CB 3.37Å; Q510-A513 PolarHBondContact O-N 3.47Å; I511-A513 VanDerWaalsContact C-N 3.28Å; I511-A513 PolarHBondContact O-N 2.92Å; A513-N517 PolarHBondContact O-ND2 3.23Å; A513-N517 VanDerWaalsContact O-ND2 3.13Å; A513-I540 HydrophobicContact CB-CD1 4.3Å; A513-I540 HydrophobicContact CB-CG1 3.68Å; A513-L544 HydrophobicContact CB-CD1 3.86Å
514	L	75.3	Confident	79.3	Confident	50 Å²	50	33.9 Å²	33.9	26%	0.262	17%	0.173	S	C	.	.	H	α-helix	trans	-70.6	-45.6	174	-64.7	175.5	0	0	0	111.5	F309 Q510 I511 N512 F516 N517 D518	F309-L514 HydrophobicContact CD1-CD1 4.13Å; F309-L514 HydrophobicContact CD1-CD2 3.71Å; F309-L514 HydrophobicContact CD1-CG 4.26Å; F309-L514 HydrophobicContact CE1-CD1 3.81Å; F309-L514 HydrophobicContact CE1-CD2 4.24Å; F309-L514 HydrophobicContact CE1-CG 4.44Å; F309-L514 HydrophobicContact CG-CD2 4.37Å; F309-L514 HydrophobicContact CZ-CD1 4.4Å; Q510-L514 PolarHBondContact O-N 3.11Å; I511-L514 WeakPolarHBondContact O-CB 3.42Å; I511-L514 PolarHBondContact O-N 2.77Å; I511-L514 VanDerWaalsContact O-N 3.09Å; N512-L514 VanDerWaalsContact C-N 3.28Å; N512-L514 PolarHBondContact O-N 2.98Å; L514-F516 VanDerWaalsContact C-N 3.3Å; L514-F516 PolarHBondContact O-N 2.78Å; L514-N517 WeakPolarHBondContact O-CB 3.22Å; L514-N517 PolarHBondContact O-N 2.87Å; L514-D518 PolarHBondContact O-N 2.59Å
515	V	79.1	Confident	79	Confident	22 Å²	22	36.9 Å²	36.9	13%	0.133	19%	0.192	C	C	.	.	H	α-helix	trans	-57.1	-41.6	-179.8	170.7	0	0	0	0	111.8	I370 F445 I511 N512 N517 D518 L519	I370-V515 HydrophobicContact CD1-CG1 3.46Å; I370-V515 VanDerWaalsContact CD1-CG1 3.46Å; I370-V515 HydrophobicContact CD1-CG2 4.48Å; I370-V515 HydrophobicContact CG1-CG1 4.06Å; I370-V515 HydrophobicContact CG1-CG2 4.27Å; F445-V515 HydrophobicContact CE1-CG1 3.58Å; F445-V515 HydrophobicContact CZ-CG1 4.13Å; I511-V515 HydrophobicContact CG2-CG2 4.4Å; I511-V515 WeakPolarHBondContact O-CG2 3.32Å; I511-V515 PolarHBondContact O-N 3.44Å; I511-V515 VanDerWaalsContact O-N 3.09Å; N512-V515 PolarHBondContact O-N 3.28Å; N512-V515 VanDerWaalsContact O-N 3.15Å; V515-N517 VanDerWaalsContact C-N 3.33Å; V515-N517 PolarHBondContact O-N 2.92Å; V515-D518 PolarHBondContact O-N 3.23Å; V515-L519 HydrophobicContact CG1-CD1 3.66Å; V515-L519 HydrophobicContact CG1-CG 4.15Å; V515-L519 WeakPolarHBondContact O-CB 3.19Å; V515-L519 VanDerWaalsContact O-CG 3.24Å; V515-L519 WeakPolarHBondContact O-CG 3.41Å; V515-L519 PolarHBondContact O-N 3.44Å
516	F	80.1	Confident	78.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-39.1	175.1	-66.4	-64.6	0	0	0	113.1	F445 A449 F452 N512 L514 L520 A536 Q537 I540	F445-F516 HydrophobicContact CB-CE1 3.94Å; F445-F516 HydrophobicContact CD1-CD1 4.13Å; F445-F516 AromaticContact CD1-CE1 3.68Å; F445-F516 HydrophobicContact CD1-CE1 3.68Å; F445-F516 HydrophobicContact CD1-CZ 4.39Å; F445-F516 HydrophobicContact CG-CE1 4.3Å; F445-F516 WeakPolarHBondContact O-CE1 3.45Å; A449-F516 HydrophobicContact CB-CE1 4.4Å; A449-F516 HydrophobicContact CB-CZ 3.9Å; F452-F516 HydrophobicContact CZ-CE2 4.28Å; N512-F516 HydrophobicContact CB-CE2 4.12Å; N512-F516 WeakPolarHBondContact O-CD2 3.42Å; N512-F516 PolarHBondContact O-N 2.77Å; L514-F516 VanDerWaalsContact C-N 3.3Å; L514-F516 PolarHBondContact O-N 2.78Å; F516-L520 WeakPolarHBondContact O-CB 3.31Å; F516-L520 WeakPolarHBondContact O-CG 3.37Å; F516-L520 PolarHBondContact O-N 2.89Å; F516-L520 VanDerWaalsContact O-N 3.1Å; F516-A536 HydrophobicContact CD1-CB 3.71Å; F516-A536 HydrophobicContact CE1-CB 3.46Å; F516-A536 VanDerWaalsContact CE1-CB 3.46Å; F516-A536 HydrophobicContact CZ-CB 4.18Å; F516-Q537 HydrophobicContact CB-CB 4.39Å; F516-I540 HydrophobicContact CD2-CB 4.28Å; F516-I540 HydrophobicContact CD2-CG2 3.77Å; F516-I540 HydrophobicContact CE2-CB 4.33Å; F516-I540 HydrophobicContact CE2-CG2 4.27Å; F516-I540 HydrophobicContact CG-CG2 4.47Å
517	N	75	Confident	78.5	Confident	68 Å²	68	42.6 Å²	42.6	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-70.4	-43	178.3	-67.8	-37.5	0	0	0	111.9	A513 L514 V515 L520 R521 Q537	A513-N517 PolarHBondContact O-ND2 3.23Å; A513-N517 VanDerWaalsContact O-ND2 3.13Å; L514-N517 WeakPolarHBondContact O-CB 3.22Å; L514-N517 PolarHBondContact O-N 2.87Å; V515-N517 VanDerWaalsContact C-N 3.33Å; V515-N517 PolarHBondContact O-N 2.92Å; N517-L520 PolarHBondContact O-N 3.07Å; N517-R521 PolarHBondContact O-N 2.85Å; N517-R521 VanDerWaalsContact O-N 3.1Å; N517-Q537 PolarHBondContact OD1-NE2 2.94Å
518	D	76.1	Confident	78.9	Confident	64 Å²	64	45 Å²	45	34%	0.342	25%	0.249	S	C	.	.	H	α-helix	trans	-64.2	-44.3	177.1	-80	-41.9	0	0	0	111.6	L514 V515 L520 R521 E522	L514-D518 PolarHBondContact O-N 2.59Å; V515-D518 PolarHBondContact O-N 3.23Å; D518-L520 PolarHBondContact O-N 3.02Å; D518-R521 PolarHBondContact O-N 3.26Å; D518-R521 IonicContact OD1-CZ 2.8Å; D518-R521 IonicContact OD1-NH1 3.03Å; D518-R521 PolarHBondContact OD1-NH1 2.88Å; D518-R521 IonicContact OD1-NH2 3.05Å; D518-R521 PolarHBondContact OD1-NH2 3.06Å; D518-E522 WeakPolarHBondContact O-CG 3.42Å; D518-E522 PolarHBondContact O-N 3.33Å
519	L	81.5	Confident	78.9	Confident	2 Å²	2	45 Å²	45	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-39.2	177.3	-69.6	173.6	0	0	0	112.4	I366 I370 I441 F445 V515 E522 T523 L533	I366-L519 HydrophobicContact CG2-CD2 3.76Å; I370-L519 HydrophobicContact CD1-CD1 4.38Å; I370-L519 HydrophobicContact CD1-CD2 4.44Å; I441-L519 HydrophobicContact CD1-CD1 3.98Å; I441-L519 HydrophobicContact CD1-CD2 3.7Å; I441-L519 HydrophobicContact CD1-CG 4.3Å; F445-L519 HydrophobicContact CD1-CD1 3.93Å; F445-L519 HydrophobicContact CD2-CD1 4.2Å; F445-L519 HydrophobicContact CE1-CD1 3.61Å; F445-L519 HydrophobicContact CE2-CD1 3.9Å; F445-L519 HydrophobicContact CG-CD1 4.22Å; F445-L519 HydrophobicContact CZ-CD1 3.58Å; V515-L519 HydrophobicContact CG1-CD1 3.66Å; V515-L519 HydrophobicContact CG1-CG 4.15Å; V515-L519 WeakPolarHBondContact O-CB 3.19Å; V515-L519 VanDerWaalsContact O-CG 3.24Å; V515-L519 WeakPolarHBondContact O-CG 3.41Å; V515-L519 PolarHBondContact O-N 3.44Å; L519-E522 PolarHBondContact O-N 2.99Å; L519-T523 VanDerWaalsContact O-CB 3.28Å; L519-T523 WeakPolarHBondContact O-CB 3.33Å; L519-T523 PolarHBondContact O-N 2.85Å; L519-T523 PolarHBondContact O-OG1 2.66Å; L519-L533 HydrophobicContact CB-CD1 4.19Å; L519-L533 HydrophobicContact CB-CD2 4.48Å; L519-L533 HydrophobicContact CD1-CD2 4.32Å
520	L	80.8	Confident	79.1	Confident	22 Å²	22	45.3 Å²	45.3	12%	0.115	25%	0.25	C	S	.	.	H	α-helix	trans	-66.3	-40.2	176.9	-84.7	169.6	0	0	0	113.1	F516 N517 D518 E522 T523 L533 R534 Q537	F516-L520 WeakPolarHBondContact O-CB 3.31Å; F516-L520 WeakPolarHBondContact O-CG 3.37Å; F516-L520 PolarHBondContact O-N 2.89Å; F516-L520 VanDerWaalsContact O-N 3.1Å; N517-L520 PolarHBondContact O-N 3.07Å; D518-L520 PolarHBondContact O-N 3.02Å; L520-E522 PolarHBondContact O-N 3.1Å; L520-T523 PolarHBondContact O-N 2.85Å; L520-L533 HydrophobicContact CD2-CB 3.66Å; L520-L533 HydrophobicContact CG-CB 3.93Å; L520-R534 HydrophobicContact CD2-CB 4.19Å; L520-Q537 HydrophobicContact CD1-CB 3.52Å; L520-Q537 HydrophobicContact CD1-CG 3.81Å
521	R	81.2	Confident	79.8	Confident	159 Å²	159	50 Å²	50	60%	0.6	27%	0.272	S	S	*	.	H	α-helix	trans	-58.3	-34.2	176.6	-176	-176	60.9	-114	-10.3	112.2	N517 D518	N517-R521 PolarHBondContact O-N 2.85Å; N517-R521 VanDerWaalsContact O-N 3.1Å; D518-R521 PolarHBondContact O-N 3.26Å; D518-R521 IonicContact OD1-CZ 2.8Å; D518-R521 IonicContact OD1-NH1 3.03Å; D518-R521 PolarHBondContact OD1-NH1 2.88Å; D518-R521 IonicContact OD1-NH2 3.05Å; D518-R521 PolarHBondContact OD1-NH2 3.06Å
522	E	75.6	Confident	80.3	Confident	35 Å²	35	47.2 Å²	47.2	16%	0.164	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.3	179.5	-51.1	-60.2	156.4	0	0	113.5	R359 K362 I366 D518 L519 L520 P524	R359-E522 WeakPolarHBondContact CD-O 3.32Å; K362-E522 VanDerWaalsContact CE-OE2 3.28Å; K362-E522 WeakPolarHBondContact CE-OE2 3.42Å; K362-E522 IonicContact NZ-OE1 2.87Å; K362-E522 PolarHBondContact NZ-OE1 3.36Å; K362-E522 IonicContact NZ-OE2 2.67Å; K362-E522 PolarHBondContact NZ-OE2 3.45Å; I366-E522 HydrophobicContact CD1-CG 4.01Å; D518-E522 WeakPolarHBondContact O-CG 3.42Å; D518-E522 PolarHBondContact O-N 3.33Å; L519-E522 PolarHBondContact O-N 2.99Å; L520-E522 PolarHBondContact O-N 3.1Å; E522-P524 WeakPolarHBondContact O-CD 3.48Å
523	T	80.3	Confident	80.7	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.018	26%	0.257	C	S	.	.	S	Bend	trans	-117.5	95.5	-173.6	-57.1	0	0	0	0	112	L519 L520 H527 D529 H530 L533	L519-T523 VanDerWaalsContact O-CB 3.28Å; L519-T523 WeakPolarHBondContact O-CB 3.33Å; L519-T523 PolarHBondContact O-N 2.85Å; L519-T523 PolarHBondContact O-OG1 2.66Å; L520-T523 PolarHBondContact O-N 2.85Å; T523-H527 HydrophobicContact CG2-CB 3.79Å; T523-D529 HydrophobicContact CG2-CB 4.22Å; T523-H530 HydrophobicContact CG2-CB 4.15Å; T523-H530 PolarHBondContact O-ND1 2.83Å; T523-L533 HydrophobicContact CG2-CD1 4.2Å
524	P	77.6	Confident	81.1	Confident	52 Å²	52	52.5 Å²	52.5	34%	0.338	28%	0.276	S	S	.	.			trans	-65.5	157.4	-176.9	-21.9	33.7	0	0	0	114.2	E522 A526 H527	E522-P524 WeakPolarHBondContact O-CD 3.48Å; P524-A526 PolarHBondContact O-N 2.97Å; P524-H527 WeakPolarHBondContact O-CB 3.46Å; P524-H527 PolarHBondContact O-N 2.75Å
525	N	78.7	Confident	81.7	Confident	125 Å²	125	54.6 Å²	54.6	67%	0.668	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-19.2	-174.3	-53.9	11.7	0	0	0	115.6	H530	N525-H530 PolarHBondContact OD1-CE1 3.2Å
526	A	78.8	Confident	82	Confident	105 Å²	105	53.6 Å²	53.6	87%	0.868	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.1	178.1	0	0	0	0	0	114.2	P524	P524-A526 PolarHBondContact O-N 2.97Å
527	H	81	Confident	82.2	Confident	25 Å²	25	56.5 Å²	56.5	12%	0.116	29%	0.292	C	S	.	.	S	Bend	trans	-84.7	138.3	177.1	-164.9	-105.3	0	0	0	110.5	T523 P524 D529 H530	T523-H527 HydrophobicContact CG2-CB 3.79Å; P524-H527 WeakPolarHBondContact O-CB 3.46Å; P524-H527 PolarHBondContact O-N 2.75Å; H527-D529 VanDerWaalsContact C-N 3.27Å; H527-D529 IonicContact CE1-OD2 2.69Å; H527-D529 PolarHBondContact CE1-OD2 2.99Å; H527-D529 VanDerWaalsContact CE1-OD2 3.24Å; H527-D529 PolarHBondContact ND1-N 2.98Å; H527-D529 IonicContact ND1-OD2 3.66Å; H527-D529 PolarHBondContact O-N 3.01Å; H527-H530 VanDerWaalsContact O-CB 3.3Å; H527-H530 WeakPolarHBondContact O-CB 3.47Å; H527-H530 PolarHBondContact O-N 3.19Å
528	P	82.8	Confident	82.7	Confident	83 Å²	83	59.8 Å²	59.8	54%	0.539	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-40.7	179.7	18.3	-32.9	0	0	0	113.6	L440 H530 P532	L440-P528 HydrophobicContact CD2-CB 4.18Å; L440-P528 HydrophobicContact CD2-CG 3.42Å; L440-P528 VanDerWaalsContact CD2-CG 3.42Å; P528-H530 PolarHBondContact O-N 3.23Å; P528-P532 VanDerWaalsContact O-CD 3.24Å; P528-P532 WeakPolarHBondContact O-CD 3.03Å
529	D	85.1	Confident	83.1	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.043	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.9	179.5	-64.7	-31.4	0	0	0	114.7	L440 I441 G442 T523 H527 Q531 P532 L533	L440-D529 WeakPolarHBondContact CA-OD2 3.26Å; I441-D529 WeakPolarHBondContact CG1-OD2 3.38Å; I441-D529 VanDerWaalsContact N-CG 3.33Å; I441-D529 PolarHBondContact N-OD1 2.9Å; I441-D529 PolarHBondContact N-OD2 3.48Å; G442-D529 WeakPolarHBondContact CA-OD1 3.43Å; G442-D529 PolarHBondContact N-OD1 3.3Å; T523-D529 HydrophobicContact CG2-CB 4.22Å; H527-D529 VanDerWaalsContact C-N 3.27Å; H527-D529 IonicContact CE1-OD2 2.69Å; H527-D529 PolarHBondContact CE1-OD2 2.99Å; H527-D529 VanDerWaalsContact CE1-OD2 3.24Å; H527-D529 PolarHBondContact ND1-N 2.98Å; H527-D529 IonicContact ND1-OD2 3.66Å; H527-D529 PolarHBondContact O-N 3.01Å; D529-Q531 VanDerWaalsContact C-N 3.27Å; D529-Q531 PolarHBondContact O-N 3.38Å; D529-P532 WeakPolarHBondContact O-CD 3.29Å; D529-L533 HydrophobicContact CB-CD1 3.96Å; D529-L533 HydrophobicContact CB-CG 4.29Å; D529-L533 VanDerWaalsContact O-CB 3.29Å; D529-L533 WeakPolarHBondContact O-CB 3.43Å; D529-L533 VanDerWaalsContact O-CG 3.27Å; D529-L533 WeakPolarHBondContact O-CG 3.5Å; D529-L533 PolarHBondContact O-N 2.99Å
530	H	85.3	Confident	82.9	Confident	13 Å²	13	59.2 Å²	59.2	6%	0.06	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-38.3	-175.6	-174.9	95.4	0	0	0	111.7	T523 N525 H527 P528 R534	T523-H530 HydrophobicContact CG2-CB 4.15Å; T523-H530 PolarHBondContact O-ND1 2.83Å; N525-H530 PolarHBondContact OD1-CE1 3.2Å; H527-H530 VanDerWaalsContact O-CB 3.3Å; H527-H530 WeakPolarHBondContact O-CB 3.47Å; H527-H530 PolarHBondContact O-N 3.19Å; P528-H530 PolarHBondContact O-N 3.23Å; H530-R534 PolarHBondContact NE2-NH1 3.23Å; H530-R534 WeakPolarHBondContact O-CB 3.31Å; H530-R534 PolarHBondContact O-N 3.39Å
531	Q	87.8	Confident	82.6	Confident	121 Å²	121	62 Å²	62	57%	0.565	31%	0.312	S	S	*	.	H	α-helix	trans	-73	-50.3	179.6	-62	-62.7	-20.4	0	0	112.5	D529 L533 R534 Q535	D529-Q531 VanDerWaalsContact C-N 3.27Å; D529-Q531 PolarHBondContact O-N 3.38Å; Q531-L533 PolarHBondContact O-N 3.32Å; Q531-R534 PolarHBondContact O-N 2.87Å; Q531-Q535 WeakPolarHBondContact O-CB 3.42Å; Q531-Q535 PolarHBondContact O-N 2.81Å
532	P	87.8	Confident	82.5	Confident	17 Å²	17	59 Å²	59	11%	0.11	31%	0.306	C	S	.	.	H	α-helix	trans	-56.8	-43.7	172.5	-27.1	34.7	0	0	0	114.1	G442 R446 P528 D529 Q535 A536	G442-P532 VanDerWaalsContact O-CB 3.32Å; G442-P532 WeakPolarHBondContact O-CB 3.44Å; R446-P532 HydrophobicContact CB-CB 4.24Å; P528-P532 VanDerWaalsContact O-CD 3.24Å; P528-P532 WeakPolarHBondContact O-CD 3.03Å; D529-P532 WeakPolarHBondContact O-CD 3.29Å; P532-Q535 PolarHBondContact O-N 3.42Å; P532-A536 WeakPolarHBondContact O-CB 3.28Å; P532-A536 PolarHBondContact O-N 3.41Å
533	L	88.1	Confident	82.6	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-38.3	178	-69.1	174	0	0	0	112.1	I441 F445 L519 L520 T523 D529 Q531 A536 Q537	I441-L533 HydrophobicContact CD1-CD1 4.34Å; I441-L533 HydrophobicContact CG1-CD1 4.38Å; F445-L533 HydrophobicContact CB-CD2 3.69Å; F445-L533 HydrophobicContact CG-CD2 4.11Å; L519-L533 HydrophobicContact CB-CD1 4.19Å; L519-L533 HydrophobicContact CB-CD2 4.48Å; L519-L533 HydrophobicContact CD1-CD2 4.32Å; L520-L533 HydrophobicContact CD2-CB 3.66Å; L520-L533 HydrophobicContact CG-CB 3.93Å; T523-L533 HydrophobicContact CG2-CD1 4.2Å; D529-L533 HydrophobicContact CB-CD1 3.96Å; D529-L533 HydrophobicContact CB-CG 4.29Å; D529-L533 VanDerWaalsContact O-CB 3.29Å; D529-L533 WeakPolarHBondContact O-CB 3.43Å; D529-L533 VanDerWaalsContact O-CG 3.27Å; D529-L533 WeakPolarHBondContact O-CG 3.5Å; D529-L533 PolarHBondContact O-N 2.99Å; Q531-L533 PolarHBondContact O-N 3.32Å; L533-A536 WeakPolarHBondContact O-CB 3.49Å; L533-A536 PolarHBondContact O-N 3.33Å; L533-Q537 WeakPolarHBondContact O-CB 3.06Å; L533-Q537 PolarHBondContact O-N 3.49Å
534	R	85.7	Confident	82.2	Confident	128 Å²	128	58.5 Å²	58.5	48%	0.483	30%	0.304	S	S	.	.	H	α-helix	trans	-69.6	-34.8	176.5	-173.8	176.1	-172.7	145.4	-0.6	112.1	L520 H530 Q531 K538	L520-R534 HydrophobicContact CD2-CB 4.19Å; H530-R534 PolarHBondContact NE2-NH1 3.23Å; H530-R534 WeakPolarHBondContact O-CB 3.31Å; H530-R534 PolarHBondContact O-N 3.39Å; Q531-R534 PolarHBondContact O-N 2.87Å; R534-K538 WeakPolarHBondContact O-CB 3.44Å; R534-K538 PolarHBondContact O-N 3.47Å
535	Q	86.6	Confident	81.6	Confident	95 Å²	95	59.7 Å²	59.7	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-49.2	169.2	-177.8	170.1	-15	0	0	110.3	R446 Q531 P532 Q537 K538 I539	R446-Q535 HydrophobicContact CG-CG 4.32Å; Q531-Q535 WeakPolarHBondContact O-CB 3.42Å; Q531-Q535 PolarHBondContact O-N 2.81Å; P532-Q535 PolarHBondContact O-N 3.42Å; Q535-Q537 PolarHBondContact O-N 3.45Å; Q535-K538 WeakPolarHBondContact O-CB 3.5Å; Q535-K538 PolarHBondContact O-N 2.9Å; Q535-K538 VanDerWaalsContact O-N 3.08Å; Q535-I539 HydrophobicContact CG-CD1 4.02Å; Q535-I539 HydrophobicContact CG-CG1 4.49Å; Q535-I539 VanDerWaalsContact O-CG1 3.31Å; Q535-I539 WeakPolarHBondContact O-CG1 3.47Å; Q535-I539 PolarHBondContact O-N 3.05Å
536	A	86.9	Confident	81	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-56.1	-48.3	177.6	0	0	0	0	0	112.3	A449 F516 P532 L533 K538 I539 I540	A449-A536 HydrophobicContact CB-CB 3.63Å; F516-A536 HydrophobicContact CD1-CB 3.71Å; F516-A536 HydrophobicContact CE1-CB 3.46Å; F516-A536 VanDerWaalsContact CE1-CB 3.46Å; F516-A536 HydrophobicContact CZ-CB 4.18Å; P532-A536 WeakPolarHBondContact O-CB 3.28Å; P532-A536 PolarHBondContact O-N 3.41Å; L533-A536 WeakPolarHBondContact O-CB 3.49Å; L533-A536 PolarHBondContact O-N 3.33Å; A536-K538 VanDerWaalsContact C-N 3.34Å; A536-K538 PolarHBondContact O-N 2.72Å; A536-I539 PolarHBondContact O-N 3.03Å; A536-I540 WeakPolarHBondContact O-CG2 3.25Å; A536-I540 PolarHBondContact O-N 3.25Å
537	Q	84.2	Confident	80	Confident	62 Å²	62	55.7 Å²	55.7	29%	0.29	27%	0.266	S	S	.	.	H	α-helix	trans	-56.5	-43.4	173.7	-171	-156.9	38.7	0	0	112.1	F516 N517 L520 L533 Q535 I540 Q541	F516-Q537 HydrophobicContact CB-CB 4.39Å; N517-Q537 PolarHBondContact OD1-NE2 2.94Å; L520-Q537 HydrophobicContact CD1-CB 3.52Å; L520-Q537 HydrophobicContact CD1-CG 3.81Å; L533-Q537 WeakPolarHBondContact O-CB 3.06Å; L533-Q537 PolarHBondContact O-N 3.49Å; Q535-Q537 PolarHBondContact O-N 3.45Å; Q537-I540 WeakPolarHBondContact O-CG2 3.34Å; Q537-Q541 VanDerWaalsContact O-CB 3.22Å; Q537-Q541 WeakPolarHBondContact O-CB 3.31Å; Q537-Q541 PolarHBondContact O-N 3.12Å
538	K	84.6	Confident	78.7	Confident	137 Å²	137	56 Å²	56	60%	0.596	27%	0.269	S	S	*	.	H	α-helix	trans	-63.6	-41.8	177.3	-174.6	-178.3	176.4	-173.7	0	111.7	R534 Q535 A536 Q541 M542	R534-K538 WeakPolarHBondContact O-CB 3.44Å; R534-K538 PolarHBondContact O-N 3.47Å; Q535-K538 WeakPolarHBondContact O-CB 3.5Å; Q535-K538 PolarHBondContact O-N 2.9Å; Q535-K538 VanDerWaalsContact O-N 3.08Å; A536-K538 VanDerWaalsContact C-N 3.34Å; A536-K538 PolarHBondContact O-N 2.72Å; K538-Q541 PolarHBondContact O-N 2.91Å; K538-M542 HydrophobicContact CG-SD 4.16Å; K538-M542 WeakPolarHBondContact O-CB 3.44Å; K538-M542 VanDerWaalsContact O-CG 3.31Å; K538-M542 WeakPolarHBondContact O-CG 3.2Å; K538-M542 PolarHBondContact O-N 2.8Å
539	I	83.9	Confident	76.6	Confident	50 Å²	50	55 Å²	55	26%	0.256	26%	0.26	S	S	.	.	H	α-helix	trans	-69.8	-44.8	-179.1	-49.8	159.6	0	0	0	110.4	A449 E450 F452 Q535 A536 Q541 M542 F543	A449-I539 WeakPolarHBondContact O-CG2 3.47Å; E450-I539 HydrophobicContact CG-CD1 4.23Å; F452-I539 HydrophobicContact CD2-CB 4.41Å; F452-I539 HydrophobicContact CD2-CG2 3.85Å; F452-I539 HydrophobicContact CE2-CB 4.46Å; F452-I539 HydrophobicContact CE2-CG2 4.37Å; Q535-I539 HydrophobicContact CG-CD1 4.02Å; Q535-I539 HydrophobicContact CG-CG1 4.49Å; Q535-I539 VanDerWaalsContact O-CG1 3.31Å; Q535-I539 WeakPolarHBondContact O-CG1 3.47Å; Q535-I539 PolarHBondContact O-N 3.05Å; A536-I539 PolarHBondContact O-N 3.03Å; I539-Q541 VanDerWaalsContact C-N 3.32Å; I539-Q541 PolarHBondContact O-N 3.22Å; I539-M542 PolarHBondContact O-N 3.4Å; I539-F543 WeakPolarHBondContact O-CB 3.32Å; I539-F543 PolarHBondContact O-N 3.32Å
540	I	78.8	Confident	74.3	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-39.9	175.5	-177	64.9	0	0	0	111.4	F452 V509 A513 F516 A536 Q537 F543 L544	F452-I540 HydrophobicContact CD1-CD1 4.24Å; F452-I540 HydrophobicContact CD2-CB 4.48Å; F452-I540 HydrophobicContact CE1-CD1 3.55Å; F452-I540 HydrophobicContact CE2-CB 3.49Å; F452-I540 VanDerWaalsContact CE2-CB 3.49Å; F452-I540 HydrophobicContact CE2-CD1 3.87Å; F452-I540 HydrophobicContact CE2-CG1 4.24Å; F452-I540 HydrophobicContact CZ-CB 3.61Å; F452-I540 HydrophobicContact CZ-CD1 3.35Å; F452-I540 HydrophobicContact CZ-CG1 3.94Å; V509-I540 HydrophobicContact CG2-CD1 3.8Å; A513-I540 HydrophobicContact CB-CD1 4.3Å; A513-I540 HydrophobicContact CB-CG1 3.68Å; F516-I540 HydrophobicContact CD2-CB 4.28Å; F516-I540 HydrophobicContact CD2-CG2 3.77Å; F516-I540 HydrophobicContact CE2-CB 4.33Å; F516-I540 HydrophobicContact CE2-CG2 4.27Å; F516-I540 HydrophobicContact CG-CG2 4.47Å; A536-I540 WeakPolarHBondContact O-CG2 3.25Å; A536-I540 PolarHBondContact O-N 3.25Å; Q537-I540 WeakPolarHBondContact O-CG2 3.34Å; I540-F543 HydrophobicContact CD1-CD1 3.89Å; I540-F543 PolarHBondContact O-N 3.3Å; I540-L544 HydrophobicContact CD1-CD1 4.35Å; I540-L544 HydrophobicContact CD1-CG 4.1Å; I540-L544 HydrophobicContact CG1-CD1 4.05Å; I540-L544 HydrophobicContact CG1-CG 4.24Å; I540-L544 WeakPolarHBondContact O-CB 3.36Å; I540-L544 WeakPolarHBondContact O-CG 3.41Å; I540-L544 PolarHBondContact O-N 3.13Å
541	Q	74.5	Confident	72.1	Confident	81 Å²	81	58.8 Å²	58.8	38%	0.379	28%	0.283	S	S	.	.	H	α-helix	trans	-68.9	-36	178.6	-170.1	67.1	-7.5	0	0	111.5	Q537 K538 I539 N545	Q537-Q541 VanDerWaalsContact O-CB 3.22Å; Q537-Q541 WeakPolarHBondContact O-CB 3.31Å; Q537-Q541 PolarHBondContact O-N 3.12Å; K538-Q541 PolarHBondContact O-N 2.91Å; I539-Q541 VanDerWaalsContact C-N 3.32Å; I539-Q541 PolarHBondContact O-N 3.22Å; Q541-N545 WeakPolarHBondContact O-CB 3.41Å; Q541-N545 PolarHBondContact O-N 3.48Å; Q541-N545 PolarHBondContact O-ND2 2.89Å
542	M	79.3	Confident	69.7	Low	95 Å²	95	56.4 Å²	56.4	47%	0.468	27%	0.272	S	S	.	.	H	α-helix	trans	-65.4	-45.5	170.9	-77.1	178	58.3	0	0	111.4	K538 I539 N545 Q546	K538-M542 HydrophobicContact CG-SD 4.16Å; K538-M542 WeakPolarHBondContact O-CB 3.44Å; K538-M542 VanDerWaalsContact O-CG 3.31Å; K538-M542 WeakPolarHBondContact O-CG 3.2Å; K538-M542 PolarHBondContact O-N 2.8Å; I539-M542 PolarHBondContact O-N 3.4Å; M542-N545 PolarHBondContact O-N 3.17Å; M542-Q546 WeakPolarHBondContact O-CB 3.32Å; M542-Q546 VanDerWaalsContact O-CG 3.3Å; M542-Q546 WeakPolarHBondContact O-CG 3.04Å; M542-Q546 PolarHBondContact O-N 3.32Å
543	F	77.3	Confident	67.1	Low	14 Å²	14	63.4 Å²	63.4	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-49.9	176.5	165.9	-97.3	0	0	0	112.1	F452 L459 V509 I539 I540 N545 Q546 F547	F452-F543 HydrophobicContact CB-CB 4.06Å; F452-F543 HydrophobicContact CB-CD2 3.73Å; F452-F543 HydrophobicContact CB-CE2 4.35Å; F452-F543 HydrophobicContact CB-CG 3.85Å; F452-F543 HydrophobicContact CD1-CD1 4.31Å; F452-F543 HydrophobicContact CD1-CG 4.38Å; F452-F543 HydrophobicContact CD2-CB 4.03Å; F452-F543 HydrophobicContact CD2-CG 4.41Å; F452-F543 HydrophobicContact CG-CB 4.07Å; F452-F543 HydrophobicContact CG-CD1 4.32Å; F452-F543 HydrophobicContact CG-CD2 4.32Å; F452-F543 AromaticContact CG-CG 3.96Å; F452-F543 HydrophobicContact CG-CG 3.96Å; L459-F543 HydrophobicContact CD1-CZ 3.85Å; V509-F543 HydrophobicContact CG2-CD1 4.26Å; V509-F543 HydrophobicContact CG2-CE1 3.65Å; V509-F543 HydrophobicContact CG2-CZ 4.43Å; I539-F543 WeakPolarHBondContact O-CB 3.32Å; I539-F543 PolarHBondContact O-N 3.32Å; I540-F543 HydrophobicContact CD1-CD1 3.89Å; I540-F543 PolarHBondContact O-N 3.3Å; F543-N545 VanDerWaalsContact C-N 3.32Å; F543-N545 PolarHBondContact O-N 3.43Å; F543-Q546 PolarHBondContact O-N 2.78Å; F543-Q546 VanDerWaalsContact O-N 3.17Å; F543-F547 HydrophobicContact CE2-CB 4.46Å; F543-F547 HydrophobicContact CZ-CB 4.33Å; F543-F547 HydrophobicContact CZ-CD2 4.35Å; F543-F547 HydrophobicContact CZ-CG 4.38Å; F543-F547 WeakPolarHBondContact O-CB 3.37Å; F543-F547 PolarHBondContact O-N 2.98Å
544	L	71.7	Confident	64.4	Low	14 Å²	14	67.8 Å²	67.8	7%	0.073	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-40.8	179.2	-71.6	174.4	0	0	0	111.7	A513 I540 N548	A513-L544 HydrophobicContact CB-CD1 3.86Å; I540-L544 HydrophobicContact CD1-CD1 4.35Å; I540-L544 HydrophobicContact CD1-CG 4.1Å; I540-L544 HydrophobicContact CG1-CD1 4.05Å; I540-L544 HydrophobicContact CG1-CG 4.24Å; I540-L544 WeakPolarHBondContact O-CB 3.36Å; I540-L544 WeakPolarHBondContact O-CG 3.41Å; I540-L544 PolarHBondContact O-N 3.13Å; L544-N548 VanDerWaalsContact O-CB 3.31Å; L544-N548 WeakPolarHBondContact O-CB 3.28Å; L544-N548 PolarHBondContact O-N 3.33Å; L544-N548 PolarHBondContact O-ND2 3.28Å; L544-N548 VanDerWaalsContact O-ND2 3.08Å
545	N	65.4	Low	61.8	Low	77 Å²	77	67.3 Å²	67.3	41%	0.412	33%	0.333	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174.6	-78.5	-59.5	0	0	0	112.2	Q541 M542 F543 V549	Q541-N545 WeakPolarHBondContact O-CB 3.41Å; Q541-N545 PolarHBondContact O-N 3.48Å; Q541-N545 PolarHBondContact O-ND2 2.89Å; M542-N545 PolarHBondContact O-N 3.17Å; F543-N545 VanDerWaalsContact C-N 3.32Å; F543-N545 PolarHBondContact O-N 3.43Å; N545-V549 WeakPolarHBondContact O-CB 3.48Å; N545-V549 VanDerWaalsContact O-CG2 3.27Å; N545-V549 WeakPolarHBondContact O-CG2 3.47Å; N545-V549 PolarHBondContact O-N 3.32Å
546	Q	64.7	Low	59.5	Low	114 Å²	114	65.9 Å²	65.9	53%	0.533	33%	0.328	S	S	.	.	H	α-helix	trans	-65.3	-47.3	176.2	-74.3	175.8	7.6	0	0	111.8	M542 F543 N548 V549 V550	M542-Q546 WeakPolarHBondContact O-CB 3.32Å; M542-Q546 VanDerWaalsContact O-CG 3.3Å; M542-Q546 WeakPolarHBondContact O-CG 3.04Å; M542-Q546 PolarHBondContact O-N 3.32Å; F543-Q546 PolarHBondContact O-N 2.78Å; F543-Q546 VanDerWaalsContact O-N 3.17Å; Q546-N548 VanDerWaalsContact C-N 3.33Å; Q546-N548 PolarHBondContact O-N 2.75Å; Q546-V549 CarbonylContact O-C 3.54Å; Q546-V549 PolarHBondContact O-N 3.33Å; Q546-V550 WeakPolarHBondContact O-CB 3.19Å; Q546-V550 VanDerWaalsContact O-CG2 3.31Å; Q546-V550 WeakPolarHBondContact O-CG2 3.38Å; Q546-V550 PolarHBondContact O-N 3.16Å
547	F	58.1	Low	57	Low	31 Å²	31	75.6 Å²	75.6	14%	0.136	37%	0.373	C	S	.	.	H	α-helix	trans	-60.3	-42.4	179.1	-170.5	-101.5	0	0	0	111.4	L459 F543 V549 V550 N551	L459-F547 HydrophobicContact CB-CD2 4.45Å; L459-F547 HydrophobicContact CB-CE2 3.41Å; L459-F547 VanDerWaalsContact CB-CE2 3.41Å; L459-F547 HydrophobicContact CB-CZ 3.66Å; L459-F547 HydrophobicContact CD1-CD2 4.24Å; L459-F547 HydrophobicContact CD1-CE1 4.42Å; L459-F547 HydrophobicContact CD1-CE2 3.77Å; L459-F547 HydrophobicContact CD1-CZ 3.88Å; L459-F547 HydrophobicContact CD2-CZ 4.5Å; L459-F547 HydrophobicContact CG-CE2 4.2Å; L459-F547 HydrophobicContact CG-CZ 4.22Å; F543-F547 HydrophobicContact CE2-CB 4.46Å; F543-F547 HydrophobicContact CZ-CB 4.33Å; F543-F547 HydrophobicContact CZ-CD2 4.35Å; F543-F547 HydrophobicContact CZ-CG 4.38Å; F543-F547 WeakPolarHBondContact O-CB 3.37Å; F543-F547 PolarHBondContact O-N 2.98Å; F547-V549 VanDerWaalsContact C-N 3.34Å; F547-V549 PolarHBondContact O-N 3.34Å; F547-V550 PolarHBondContact O-N 3.16Å; F547-N551 VanDerWaalsContact CD2-ND2 3.3Å; F547-N551 WeakPolarHBondContact CD2-ND2 3.02Å; F547-N551 VanDerWaalsContact CE1-ND2 3.34Å; F547-N551 WeakPolarHBondContact CE1-ND2 3.4Å; F547-N551 WeakPolarHBondContact CE2-ND2 3.4Å; F547-N551 WeakPolarHBondContact CG-ND2 3.41Å; F547-N551 WeakPolarHBondContact CZ-ND2 3.47Å; F547-N551 WeakPolarHBondContact O-CB 3.45Å; F547-N551 PolarHBondContact O-N 3.05Å; F547-N551 PolarHBondContact O-ND2 2.99Å
548	N	54	Low	54.8	Low	33 Å²	33	76.2 Å²	76.2	18%	0.176	38%	0.384	C	S	.	.	H	α-helix	trans	-63.7	-36.2	173	-74.5	-29.7	0	0	0	112.7	L310 L544 Q546 Q552	L310-N548 WeakPolarHBondContact CD1-ND2 3.45Å; L544-N548 VanDerWaalsContact O-CB 3.31Å; L544-N548 WeakPolarHBondContact O-CB 3.28Å; L544-N548 PolarHBondContact O-N 3.33Å; L544-N548 PolarHBondContact O-ND2 3.28Å; L544-N548 VanDerWaalsContact O-ND2 3.08Å; Q546-N548 VanDerWaalsContact C-N 3.33Å; Q546-N548 PolarHBondContact O-N 2.75Å; N548-Q552 WeakPolarHBondContact O-CG 3.44Å; N548-Q552 PolarHBondContact O-N 3.35Å; N548-Q552 PolarHBondContact O-NE2 3.17Å
549	V	40.1	Very low	52.6	Low	60 Å²	60	74.5 Å²	74.5	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-77.5	-29.8	177.6	167.2	0	0	0	0	113.1	N545 Q546 F547 R553	N545-V549 WeakPolarHBondContact O-CB 3.48Å; N545-V549 VanDerWaalsContact O-CG2 3.27Å; N545-V549 WeakPolarHBondContact O-CG2 3.47Å; N545-V549 PolarHBondContact O-N 3.32Å; Q546-V549 CarbonylContact O-C 3.54Å; Q546-V549 PolarHBondContact O-N 3.33Å; F547-V549 VanDerWaalsContact C-N 3.34Å; F547-V549 PolarHBondContact O-N 3.34Å; V549-R553 WeakPolarHBondContact O-CD 2.93Å; V549-R553 WeakPolarHBondContact O-CG 3.36Å
550	V	36.3	Very low	50.7	Low	53 Å²	53	80.8 Å²	80.8	32%	0.321	40%	0.402	S	S	.	.	H	α-helix	trans	-82.2	-43.1	-179	172.5	0	0	0	0	111.3	H460 Q546 F547 Q552 R553	H460-V550 WeakPolarHBondContact NE2-CG1 3.35Å; Q546-V550 WeakPolarHBondContact O-CB 3.19Å; Q546-V550 VanDerWaalsContact O-CG2 3.31Å; Q546-V550 WeakPolarHBondContact O-CG2 3.38Å; Q546-V550 PolarHBondContact O-N 3.16Å; F547-V550 PolarHBondContact O-N 3.16Å; V550-Q552 PolarHBondContact O-N 3.23Å; V550-R553 WeakPolarHBondContact O-CB 3.45Å; V550-R553 PolarHBondContact O-N 3.32Å
551	N	39.3	Very low	49.1	Very low	49 Å²	49	88 Å²	88	26%	0.262	44%	0.441	S	S	.	.	H	α-helix	trans	-66.9	-21.7	174.9	-73.6	-88.8	0	0	0	112.7	F547 R553	F547-N551 VanDerWaalsContact CD2-ND2 3.3Å; F547-N551 WeakPolarHBondContact CD2-ND2 3.02Å; F547-N551 VanDerWaalsContact CE1-ND2 3.34Å; F547-N551 WeakPolarHBondContact CE1-ND2 3.4Å; F547-N551 WeakPolarHBondContact CE2-ND2 3.4Å; F547-N551 WeakPolarHBondContact CG-ND2 3.41Å; F547-N551 WeakPolarHBondContact CZ-ND2 3.47Å; F547-N551 WeakPolarHBondContact O-CB 3.45Å; F547-N551 PolarHBondContact O-N 3.05Å; F547-N551 PolarHBondContact O-ND2 2.99Å; N551-R553 PolarHBondContact O-N 2.87Å
552	Q	37.2	Very low	48.1	Very low	71 Å²	71	87.4 Å²	87.4	33%	0.332	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.5	169.3	-79.1	168.7	24.9	0	0	113.9	N548 V550 L562 L726	N548-Q552 WeakPolarHBondContact O-CG 3.44Å; N548-Q552 PolarHBondContact O-N 3.35Å; N548-Q552 PolarHBondContact O-NE2 3.17Å; V550-Q552 PolarHBondContact O-N 3.23Å; Q552-L562 HydrophobicContact CB-CD2 4.45Å; Q552-L562 HydrophobicContact CG-CD1 3.93Å; Q552-L562 HydrophobicContact CG-CD2 4.17Å; Q552-L562 HydrophobicContact CG-CG 4.22Å; Q552-L726 HydrophobicContact CB-CD1 4.47Å; Q552-L726 HydrophobicContact CB-CD2 4.47Å; Q552-L726 WeakPolarHBondContact O-CD2 3.23Å
553	R	33	Very low	47.6	Very low	163 Å²	163	84.3 Å²	84.3	62%	0.615	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-8	-172.8	-69.5	171.6	177.2	163.3	-0.1	114.9	V549 V550 N551 L726	V549-R553 WeakPolarHBondContact O-CD 2.93Å; V549-R553 WeakPolarHBondContact O-CG 3.36Å; V550-R553 WeakPolarHBondContact O-CB 3.45Å; V550-R553 PolarHBondContact O-N 3.32Å; N551-R553 PolarHBondContact O-N 2.87Å; R553-L726 HydrophobicContact CG-CD2 4.17Å
554	L	30.9	Very low	47.3	Very low	92 Å²	92	87.3 Å²	87.3	48%	0.482	43%	0.434	S	S	.	.	S	Bend	trans	-82.6	127.6	174.6	-70.4	174.3	0	0	0	110.2	I556	L554-I556 VanDerWaalsContact C-N 3.32Å; L554-I556 HydrophobicContact CB-CD1 4.37Å; L554-I556 HydrophobicContact CB-CG1 4.16Å; L554-I556 PolarHBondContact O-N 3.07Å
555	P	31.3	Very low	47.7	Very low	118 Å²	118	88.5 Å²	88.5	77%	0.766	44%	0.439	S	S	*	.			trans	-71.1	85.5	175.3	-15.8	30.8	0	0	0	110.9
556	I	38.4	Very low	48.6	Very low	66 Å²	66	87.9 Å²	87.9	34%	0.338	44%	0.438	S	S	.	.			trans	-97.9	124.5	174.7	-58	177.1	0	0	0	108.2	L554 S558	L554-I556 VanDerWaalsContact C-N 3.32Å; L554-I556 HydrophobicContact CB-CD1 4.37Å; L554-I556 HydrophobicContact CB-CG1 4.16Å; L554-I556 PolarHBondContact O-N 3.07Å; I556-S558 WeakPolarHBondContact CG2-OG 3.48Å; I556-S558 PolarHBondContact O-N 3.22Å
557	E	34	Very low	49.7	Very low	203 Å²	203	85.3 Å²	85.3	95%	0.949	42%	0.424	S	S	*	.	S	Bend	trans	-72.6	33.3	-175.2	-58.4	-170.3	128.4	0	0	114.5
558	S	37.7	Very low	51.1	Low	75 Å²	75	86 Å²	86	52%	0.524	43%	0.428	S	S	.	.			trans	-138.1	54	177.2	59.3	0	0	0	0	111.9	I556 R560	I556-S558 WeakPolarHBondContact CG2-OG 3.48Å; I556-S558 PolarHBondContact O-N 3.22Å; S558-R560 PolarHBondContact O-N 2.98Å
559	N	39.9	Very low	52.7	Low	101 Å²	101	85.8 Å²	85.8	54%	0.54	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	4.9	175.6	-84.3	-60.3	0	0	0	116.7
560	R	43.1	Very low	55	Low	183 Å²	183	84 Å²	84	69%	0.691	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-19.9	177.7	-65.8	-174	178.3	178.2	1.9	114.1	S558 F740	S558-R560 PolarHBondContact O-N 2.98Å; R560-F740 WeakPolarHBondContact O-CE1 3.35Å; R560-F740 WeakPolarHBondContact O-CZ 3.45Å
561	N	45.8	Very low	57.6	Low	156 Å²	156	81.7 Å²	81.7	83%	0.834	40%	0.403	S	S	*	.	S	Bend	trans	-111.7	4.5	-171.3	-67.2	7.5	0	0	0	114.8
562	L	52.1	Low	60.1	Low	68 Å²	68	79.4 Å²	79.4	36%	0.356	39%	0.391	S	S	.	.			trans	-106.6	-6.2	-176.3	-155.5	72.5	0	0	0	114	Q552 R564 N588	Q552-L562 HydrophobicContact CB-CD2 4.45Å; Q552-L562 HydrophobicContact CG-CD1 3.93Å; Q552-L562 HydrophobicContact CG-CD2 4.17Å; Q552-L562 HydrophobicContact CG-CG 4.22Å; L562-R564 PolarHBondContact O-N 3.49Å; L562-N588 PolarHBondContact O-ND2 3.03Å; L562-N588 PolarHBondContact O-OD1 3.39Å
563	R	68.8	Low	62.7	Low	29 Å²	29	76.5 Å²	76.5	11%	0.109	38%	0.377	C	S	.	.			trans	-87.4	95.4	-177.5	-174.6	171	-68.6	133.3	10.3	111.5	F587 N588 D589 I732 F740	R563-F587 HydrophobicContact CG-CB 3.7Å; R563-F587 HydrophobicContact CG-CD1 3.61Å; R563-F587 HydrophobicContact CG-CE1 4.44Å; R563-F587 HydrophobicContact CG-CG 3.82Å; R563-N588 VanDerWaalsContact CA-OD1 3.3Å; R563-N588 WeakPolarHBondContact CA-OD1 3.03Å; R563-D589 WeakPolarHBondContact CD-OD1 3.48Å; R563-D589 WeakPolarHBondContact CG-OD1 3.47Å; R563-D589 IonicContact CZ-OD1 3.45Å; R563-D589 IonicContact CZ-OD2 3.96Å; R563-D589 VanDerWaalsContact CZ-OD2 3.24Å; R563-D589 VanDerWaalsContact NE-CG 3.33Å; R563-D589 IonicContact NE-OD1 3.52Å; R563-D589 PolarHBondContact NE-OD1 3.09Å; R563-D589 IonicContact NE-OD2 3.7Å; R563-D589 PolarHBondContact NE-OD2 3.3Å; R563-D589 IonicContact NH2-OD1 3.57Å; R563-D589 IonicContact NH2-OD2 2.69Å; R563-D589 PolarHBondContact NH2-OD2 3.25Å; R563-I732 VanDerWaalsContact CZ-CD1 3.41Å; R563-I732 VanDerWaalsContact NH2-CD1 3.27Å; R563-F740 HydrophobicContact CB-CD1 4.18Å; R563-F740 HydrophobicContact CB-CE1 3.71Å; R563-F740 HydrophobicContact CB-CE2 4.24Å; R563-F740 HydrophobicContact CB-CZ 3.73Å; R563-F740 HydrophobicContact CG-CD1 4.46Å; R563-F740 HydrophobicContact CG-CE1 4.45Å; R563-F740 VanDerWaalsContact NH1-CD2 3.31Å
564	R	71.8	Confident	65.5	Low	78 Å²	78	70.2 Å²	70.2	29%	0.294	36%	0.356	S	S	.	.			trans	-86.6	133	175.6	-177.5	-164.4	-180	156.4	0.8	110.6	D307 L562 V566 F587 N588	D307-R564 IonicContact OD1-CZ 3.82Å; D307-R564 VanDerWaalsContact OD1-CZ 3.25Å; D307-R564 IonicContact OD1-NE 2.85Å; D307-R564 IonicContact OD1-NH1 2.59Å; D307-R564 PolarHBondContact OD1-NH1 2.98Å; D307-R564 IonicContact OD1-NH2 3.94Å; D307-R564 WeakPolarHBondContact OD2-CD 3.37Å; D307-R564 VanDerWaalsContact OD2-CG 3.29Å; D307-R564 WeakPolarHBondContact OD2-CG 3.26Å; D307-R564 IonicContact OD2-CZ 3Å; D307-R564 IonicContact OD2-NE 3.96Å; D307-R564 PolarHBondContact OD2-NE 3.31Å; D307-R564 VanDerWaalsContact OD2-NE 3.17Å; D307-R564 IonicContact OD2-NH1 2.88Å; L562-R564 PolarHBondContact O-N 3.49Å; R564-V566 PolarHBondContact O-N 3.25Å; R564-F587 CarbonylContact O-C 3.56Å; R564-F587 WeakPolarHBondContact O-CA 3.24Å; R564-F587 WeakPolarHBondContact O-CB 3.43Å; R564-N588 PolarHBondContact N-OD1 3.2Å; R564-N588 PolarHBondContact O-N 3.24Å; R564-N588 PolarHBondContact O-OD1 3.23Å
565	M	80.3	Confident	68.4	Low	38 Å²	38	67.4 Å²	67.4	19%	0.187	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.7	164.2	-177.2	172.2	60.2	0	0	110	N568 F585 F587 M744 M748	M565-N568 HydrophobicContact SD-CB 3.81Å; M565-F585 HydrophobicContact SD-CD1 3.82Å; M565-F585 HydrophobicContact SD-CE1 4.39Å; M565-F587 HydrophobicContact CB-CD1 3.96Å; M565-F587 HydrophobicContact CB-CE1 3.92Å; M565-F587 HydrophobicContact CG-CE1 4.5Å; M565-M744 HydrophobicContact CB-CG 4.35Å; M565-M744 HydrophobicContact CB-SD 3.94Å; M565-M744 HydrophobicContact CE-CB 4.1Å; M565-M744 HydrophobicContact CE-CG 4.37Å; M565-M744 HydrophobicContact CE-SD 4.17Å; M565-M748 HydrophobicContact CE-CG 3.96Å; M565-M748 HydrophobicContact CE-SD 4.3Å
566	V	83.7	Confident	71	Confident	65 Å²	65	68.1 Å²	68.1	39%	0.394	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-36.4	-177	179.8	0	0	0	0	111.4	R564 L586 N588 L720	R564-V566 PolarHBondContact O-N 3.25Å; V566-L586 PolarHBondContact N-O 3.33Å; V566-N588 HydrophobicContact CG2-CB 4.24Å; V566-L720 HydrophobicContact CB-CD1 4.08Å; V566-L720 HydrophobicContact CG1-CD1 4.08Å; V566-L720 HydrophobicContact CG1-CD2 4.49Å; V566-L720 HydrophobicContact CG2-CD1 4.02Å; V566-L720 HydrophobicContact CG2-CD2 4.1Å
567	R	87.5	Confident	73.3	Confident	60 Å²	60	65.7 Å²	65.7	23%	0.226	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.9	175.4	-157.9	-179.6	-163.5	97.3	12.1	110.3	L586 W713 S716	R567-L586 HydrophobicContact CB-CB 3.95Å; R567-L586 HydrophobicContact CB-CD2 4.12Å; R567-L586 PolarHBondContact N-O 3.39Å; R567-L586 VanDerWaalsContact N-O 3.12Å; R567-L586 PolarHBondContact O-N 2.93Å; R567-W713 HydrophobicContact CB-CH2 4.48Å; R567-W713 HydrophobicContact CG-CH2 4.47Å; R567-W713 HydrophobicContact CG-CZ2 4.33Å; R567-S716 PolarHBondContact NH1-OG 3.28Å
568	N	89.1	Confident	75.9	Confident	44 Å²	44	60.3 Å²	60.3	24%	0.235	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	153.4	163.7	70.9	94.9	0	0	0	110.2	M565 H583 L584 F585	M565-N568 HydrophobicContact SD-CB 3.81Å; N568-H583 PolarHBondContact OD1-CE1 3.09Å; N568-H583 VanDerWaalsContact OD1-CE1 3.23Å; N568-L584 WeakPolarHBondContact CA-O 3.4Å; N568-F585 HydrophobicContact CB-CD1 4.19Å
569	S	87.3	Confident	78.4	Confident	30 Å²	30	58.5 Å²	58.5	21%	0.21	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	165.3	166.1	77.7	0	0	0	0	110.8	L584 W713	S569-L584 PolarHBondContact N-O 3.25Å; S569-L584 VanDerWaalsContact N-O 3.07Å; S569-L584 PolarHBondContact O-N 3.43Å; S569-W713 WeakPolarHBondContact OG-CZ2 3.42Å; S569-W713 PolarHBondContact OG-NE1 3.42Å
570	F	88	Confident	80.9	Confident	21 Å²	21	56.7 Å²	56.7	9%	0.092	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	150.3	157.7	-73	-100.8	0	0	0	110.1	L581 R582 H583 Y596 M752 L756	F570-L581 HydrophobicContact CB-CD1 4.38Å; F570-L581 HydrophobicContact CD1-CD1 4.28Å; F570-L581 HydrophobicContact CD1-CD2 4.08Å; F570-L581 HydrophobicContact CD1-CG 4.12Å; F570-L581 HydrophobicContact CE1-CD2 4.49Å; F570-R582 CarbonylContact C-O 3.58Å; F570-R582 VanDerWaalsContact CA-O 3.25Å; F570-R582 WeakPolarHBondContact CA-O 3.45Å; F570-H583 AromaticContact CD2-CD2 3.4Å; F570-H583 WeakPolarHBondContact CD2-CD2 2.9Å; F570-H583 AromaticContact CD2-NE2 3.77Å; F570-H583 AromaticContact CE2-CD2 3.4Å; F570-H583 WeakPolarHBondContact CE2-CD2 3.44Å; F570-H583 AromaticContact CE2-NE2 3.76Å; F570-H583 AromaticContact CG-CD2 3.79Å; F570-H583 AromaticContact CZ-CD2 3.76Å; F570-Y596 AromaticContact CE1-CD2 3.92Å; F570-Y596 HydrophobicContact CE1-CD2 3.92Å; F570-Y596 AromaticContact CE1-CG 3.97Å; F570-Y596 HydrophobicContact CE1-CG 3.97Å; F570-Y596 AromaticContact CZ-CD2 3.72Å; F570-Y596 HydrophobicContact CZ-CD2 3.72Å; F570-Y596 HydrophobicContact CZ-CE2 4.1Å; F570-Y596 HydrophobicContact CZ-CG 4.25Å; F570-M752 HydrophobicContact CB-CG 3.9Å; F570-M752 HydrophobicContact CB-SD 3.86Å; F570-M752 HydrophobicContact CD1-CG 4.15Å; F570-M752 HydrophobicContact CD2-CB 4.27Å; F570-M752 HydrophobicContact CD2-CG 3.15Å; F570-M752 HydrophobicContact CD2-SD 4.25Å; F570-M752 HydrophobicContact CE1-CG 4.49Å; F570-M752 HydrophobicContact CE2-CB 4.27Å; F570-M752 HydrophobicContact CE2-CG 3.58Å; F570-M752 HydrophobicContact CG-CG 3.47Å; F570-M752 VanDerWaalsContact CG-CG 3.47Å; F570-M752 HydrophobicContact CG-SD 4.09Å; F570-M752 HydrophobicContact CZ-CG 4.23Å; F570-L756 HydrophobicContact CD1-CD1 4.12Å; F570-L756 HydrophobicContact CE1-CD1 3.72Å; F570-L756 HydrophobicContact CZ-CD1 4.05Å
571	I	89.7	Confident	83.2	Confident	6 Å²	6	49.9 Å²	49.9	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	155.3	178.7	-160.5	163.5	0	0	0	110.2	R582 L584 F702 L704	I571-R582 HydrophobicContact CG2-CB 4.03Å; I571-R582 PolarHBondContact N-O 3.43Å; I571-R582 PolarHBondContact O-N 3.3Å; I571-L584 HydrophobicContact CD1-CD2 4.01Å; I571-L584 HydrophobicContact CG2-CB 3.84Å; I571-L584 HydrophobicContact CG2-CD2 4.34Å; I571-F702 HydrophobicContact CB-CD1 4.41Å; I571-F702 HydrophobicContact CD1-CB 3.7Å; I571-F702 HydrophobicContact CD1-CD1 3.7Å; I571-F702 HydrophobicContact CD1-CD2 4.46Å; I571-F702 HydrophobicContact CD1-CE1 4.37Å; I571-F702 HydrophobicContact CD1-CG 3.72Å; I571-F702 HydrophobicContact CG1-CB 4.07Å; I571-F702 HydrophobicContact CG1-CD1 3.87Å; I571-F702 HydrophobicContact CG1-CG 4.24Å; I571-F702 HydrophobicContact CG2-CD1 3.67Å; I571-F702 HydrophobicContact CG2-CE1 3.71Å; I571-L704 HydrophobicContact CD1-CD1 4.26Å; I571-L704 HydrophobicContact CD1-CD2 4.12Å; I571-L704 HydrophobicContact CD1-CG 3.97Å; I571-L704 HydrophobicContact CG1-CG 4.38Å
572	V	91.7	Very high	85.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.2	173.8	-178.5	0	0	0	0	109.4	R579 L581 V681 L682 P685 F702 F703	V572-R579 HydrophobicContact CG1-CB 3.72Å; V572-R579 HydrophobicContact CG1-CG 4.17Å; V572-L581 HydrophobicContact CG2-CD1 4.48Å; V572-V681 WeakPolarHBondContact CG2-O 3.48Å; V572-L682 HydrophobicContact CG1-CD2 4.48Å; V572-P685 HydrophobicContact CG2-CB 4.39Å; V572-P685 HydrophobicContact CG2-CG 3.91Å; V572-F702 CarbonylContact O-C 3.49Å; V572-F702 VanDerWaalsContact O-CA 3.26Å; V572-F702 WeakPolarHBondContact O-CA 3.4Å; V572-F703 HydrophobicContact CB-CB 4.36Å; V572-F703 HydrophobicContact CG1-CD2 4.12Å; V572-F703 PolarHBondContact O-N 3.22Å
573	E	93.4	Very high	87.2	Confident	11 Å²	11	40.3 Å²	40.3	5%	0.051	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.8	177.3	-174.6	-168	-143.3	0	0	109.7	V575 K580 R582 W610 I700 F702	E573-V575 HydrophobicContact CB-CG2 4.15Å; E573-V575 HydrophobicContact CG-CG2 3.48Å; E573-V575 VanDerWaalsContact CG-CG2 3.48Å; E573-V575 WeakPolarHBondContact OE2-CG2 3.47Å; E573-K580 PolarHBondContact N-O 3.22Å; E573-K580 PolarHBondContact O-N 3.32Å; E573-R582 HydrophobicContact CB-CG 3.67Å; E573-R582 HydrophobicContact CG-CG 4.45Å; E573-R582 WeakPolarHBondContact OE2-CG 3.31Å; E573-R582 IonicContact OE2-CZ 3.32Å; E573-R582 IonicContact OE2-NE 3.12Å; E573-R582 PolarHBondContact OE2-NE 3.38Å; E573-R582 IonicContact OE2-NH2 3.21Å; E573-R582 PolarHBondContact OE2-NH2 2.91Å; E573-W610 PolarHBondContact OE1-NE1 3.22Å; E573-I700 HydrophobicContact CG-CG2 4.27Å; E573-F702 HydrophobicContact CB-CD1 4.21Å; E573-F702 HydrophobicContact CB-CE1 4.24Å; E573-F702 HydrophobicContact CG-CE1 4.29Å
574	L	91.9	Very high	88.3	Confident	31 Å²	31	39 Å²	39	16%	0.162	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.6	169.9	-174.1	64.1	0	0	0	109.4	L629 T701 F703	L574-L629 HydrophobicContact CD2-CD2 4.27Å; L574-T701 PolarHBondContact N-O 3.21Å; L574-F703 HydrophobicContact CB-CE2 3.91Å; L574-F703 HydrophobicContact CD1-CE2 4.25Å; L574-F703 HydrophobicContact CD2-CE2 4.47Å; L574-F703 HydrophobicContact CD2-CZ 4.33Å; L574-F703 HydrophobicContact CG-CE2 4.43Å
575	V	90.4	Very high	89.3	Confident	33 Å²	33	35.2 Å²	35.2	20%	0.2	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	119.2	-178	-164.5	0	0	0	0	109.4	E573 G577 H578 K580	E573-V575 HydrophobicContact CB-CG2 4.15Å; E573-V575 HydrophobicContact CG-CG2 3.48Å; E573-V575 VanDerWaalsContact CG-CG2 3.48Å; E573-V575 WeakPolarHBondContact OE2-CG2 3.47Å; V575-G577 PolarHBondContact O-N 2.98Å; V575-H578 PolarHBondContact N-O 2.62Å; V575-H578 PolarHBondContact O-N 3.03Å; V575-H578 VanDerWaalsContact O-O 3.11Å; V575-K580 HydrophobicContact CB-CD 3.82Å; V575-K580 HydrophobicContact CG1-CD 4.5Å; V575-K580 HydrophobicContact CG2-CD 4.12Å; V575-K580 WeakPolarHBondContact O-CE 3.41Å; V575-K580 PolarHBondContact O-NZ 3.18Å; V575-K580 VanDerWaalsContact O-NZ 3.08Å
576	D	86.9	Confident	89.8	Confident	133 Å²	133	33.4 Å²	33.4	71%	0.711	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	36.4	180	-32.2	-53.9	0	0	0	112.7	H578 K580	D576-H578 VanDerWaalsContact C-N 3.25Å; D576-H578 PolarHBondContact O-CD2 3.09Å; D576-H578 VanDerWaalsContact O-CD2 3.31Å; D576-H578 PolarHBondContact O-N 3.49Å; D576-K580 IonicContact OD2-NZ 3.24Å; D576-K580 PolarHBondContact OD2-NZ 3.41Å
577	G	85.7	Confident	90	Very high	15 Å²	15	30.3 Å²	30.3	16%	0.155	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-4.2	-175.9	0	0	0	0	0	115.1	V575 K630 E631 S632	V575-G577 PolarHBondContact O-N 2.98Å; G577-K630 WeakPolarHBondContact CA-O 3.19Å; G577-E631 WeakPolarHBondContact O-CA 3.48Å; G577-S632 PolarHBondContact O-N 3.44Å; G577-S632 PolarHBondContact O-OG 3.19Å
578	H	89.3	Confident	89.8	Confident	90 Å²	90	28.9 Å²	28.9	42%	0.417	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.6	179.2	-65.5	-86.2	0	0	0	112.3	V575 D576 S632	V575-H578 PolarHBondContact N-O 2.62Å; V575-H578 PolarHBondContact O-N 3.03Å; V575-H578 VanDerWaalsContact O-O 3.11Å; D576-H578 VanDerWaalsContact C-N 3.25Å; D576-H578 PolarHBondContact O-CD2 3.09Å; D576-H578 VanDerWaalsContact O-CD2 3.31Å; D576-H578 PolarHBondContact O-N 3.49Å; H578-S632 PolarHBondContact CD2-OG 2.93Å; H578-S632 PolarHBondContact CE1-OG 3.03Å; H578-S632 PolarHBondContact ND1-OG 2.91Å; H578-S632 PolarHBondContact NE2-OG 3.35Å
579	R	91.3	Very high	89.4	Confident	36 Å²	36	28.6 Å²	28.6	14%	0.136	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.8	171.6	-61.6	-171.4	-167.1	-146.3	-2.7	110.6	V572 E631 L682 A683 P685 N686 F703	V572-R579 HydrophobicContact CG1-CB 3.72Å; V572-R579 HydrophobicContact CG1-CG 4.17Å; R579-E631 WeakPolarHBondContact CD-OE1 3.37Å; R579-E631 WeakPolarHBondContact CG-OE1 3.3Å; R579-E631 IonicContact CZ-OE1 2.6Å; R579-E631 IonicContact CZ-OE2 3.21Å; R579-E631 VanDerWaalsContact CZ-OE2 3.3Å; R579-E631 IonicContact NE-OE1 2.82Å; R579-E631 PolarHBondContact NE-OE1 2.88Å; R579-E631 IonicContact NE-OE2 3.86Å; R579-E631 PolarHBondContact NE-OE2 3.42Å; R579-E631 IonicContact NH2-OE1 3.68Å; R579-E631 IonicContact NH2-OE2 3.77Å; R579-E631 PolarHBondContact NH2-OE2 3.02Å; R579-L682 HydrophobicContact CB-CB 4.41Å; R579-L682 WeakPolarHBondContact CD-O 3.39Å; R579-L682 PolarHBondContact NH1-O 2.87Å; R579-A683 PolarHBondContact NH1-O 3.22Å; R579-P685 PolarHBondContact NH1-O 3.09Å; R579-N686 PolarHBondContact NH1-OD1 3.31Å; R579-N686 VanDerWaalsContact NH1-OD1 3.11Å; R579-N686 PolarHBondContact NH2-OD1 3.04Å; R579-F703 HydrophobicContact CG-CD2 4.37Å; R579-F703 HydrophobicContact CG-CE2 4.03Å
580	K	91.8	Very high	89.4	Confident	63 Å²	63	27.1 Å²	27.1	27%	0.274	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.6	-178.6	-55.7	178.4	-162.1	166.1	0	109.4	E573 V575 D576	E573-K580 PolarHBondContact N-O 3.22Å; E573-K580 PolarHBondContact O-N 3.32Å; V575-K580 HydrophobicContact CB-CD 3.82Å; V575-K580 HydrophobicContact CG1-CD 4.5Å; V575-K580 HydrophobicContact CG2-CD 4.12Å; V575-K580 WeakPolarHBondContact O-CE 3.41Å; V575-K580 PolarHBondContact O-NZ 3.18Å; V575-K580 VanDerWaalsContact O-NZ 3.08Å; D576-K580 IonicContact OD2-NZ 3.24Å; D576-K580 PolarHBondContact OD2-NZ 3.41Å
581	L	90.4	Very high	89.7	Confident	40 Å²	40	26.1 Å²	26.1	21%	0.209	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140.7	177.9	-170.9	64.3	0	0	0	110.5	F570 V572 V681 L682 L756	F570-L581 HydrophobicContact CB-CD1 4.38Å; F570-L581 HydrophobicContact CD1-CD1 4.28Å; F570-L581 HydrophobicContact CD1-CD2 4.08Å; F570-L581 HydrophobicContact CD1-CG 4.12Å; F570-L581 HydrophobicContact CE1-CD2 4.49Å; V572-L581 HydrophobicContact CG2-CD1 4.48Å; L581-V681 HydrophobicContact CD1-CG1 3.99Å; L581-V681 HydrophobicContact CD2-CG1 4.29Å; L581-L682 HydrophobicContact CB-CD2 3.89Å; L581-L756 HydrophobicContact CD2-CD1 4.08Å
582	R	91.9	Very high	89.8	Confident	21 Å²	21	25.9 Å²	25.9	8%	0.079	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.3	-179.9	-69.8	-62.6	-177.4	-88.7	-15.8	111.6	F570 I571 E573 C593 A594	F570-R582 CarbonylContact C-O 3.58Å; F570-R582 VanDerWaalsContact CA-O 3.25Å; F570-R582 WeakPolarHBondContact CA-O 3.45Å; I571-R582 HydrophobicContact CG2-CB 4.03Å; I571-R582 PolarHBondContact N-O 3.43Å; I571-R582 PolarHBondContact O-N 3.3Å; E573-R582 HydrophobicContact CB-CG 3.67Å; E573-R582 HydrophobicContact CG-CG 4.45Å; E573-R582 WeakPolarHBondContact OE2-CG 3.31Å; E573-R582 IonicContact OE2-CZ 3.32Å; E573-R582 IonicContact OE2-NE 3.12Å; E573-R582 PolarHBondContact OE2-NE 3.38Å; E573-R582 IonicContact OE2-NH2 3.21Å; E573-R582 PolarHBondContact OE2-NH2 2.91Å; R582-C593 VanDerWaalsContact CD-SG 3.54Å; R582-C593 VanDerWaalsContact CG-SG 3.51Å; R582-A594 WeakPolarHBondContact CA-O 3.36Å; R582-A594 VanDerWaalsContact CD-O 3.27Å; R582-A594 WeakPolarHBondContact CD-O 3.17Å
583	H	90.3	Very high	90	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.2	161.3	-155.1	-91.4	0	0	0	109	N568 F570 F585 C593 A594 Y606 M748	N568-H583 PolarHBondContact OD1-CE1 3.09Å; N568-H583 VanDerWaalsContact OD1-CE1 3.23Å; F570-H583 AromaticContact CD2-CD2 3.4Å; F570-H583 WeakPolarHBondContact CD2-CD2 2.9Å; F570-H583 AromaticContact CD2-NE2 3.77Å; F570-H583 AromaticContact CE2-CD2 3.4Å; F570-H583 WeakPolarHBondContact CE2-CD2 3.44Å; F570-H583 AromaticContact CE2-NE2 3.76Å; F570-H583 AromaticContact CG-CD2 3.79Å; F570-H583 AromaticContact CZ-CD2 3.76Å; H583-F585 HydrophobicContact CB-CE2 3.87Å; H583-F585 HydrophobicContact CB-CZ 4.31Å; H583-F585 AromaticContact CE1-CE1 3.83Å; H583-F585 AromaticContact CE1-CZ 3.81Å; H583-F585 AromaticContact CG-CE2 3.86Å; H583-F585 AromaticContact CG-CZ 3.9Å; H583-F585 AromaticContact ND1-CD1 3.94Å; H583-F585 AromaticContact ND1-CD2 3.72Å; H583-F585 AromaticContact ND1-CE1 3.45Å; H583-F585 WeakPolarHBondContact ND1-CE1 3.45Å; H583-F585 AromaticContact ND1-CE2 3.19Å; H583-F585 WeakPolarHBondContact ND1-CE2 3.39Å; H583-F585 AromaticContact ND1-CZ 3.04Å; H583-F585 WeakPolarHBondContact ND1-CZ 3.35Å; H583-C593 WeakPolarHBondContact O-CA 3.11Å; H583-A594 PolarHBondContact N-O 3.01Å; H583-A594 PolarHBondContact O-N 2.71Å; H583-Y606 HydrophobicContact CB-CD1 4Å; H583-Y606 HydrophobicContact CB-CE1 3.62Å; H583-Y606 AromaticContact CG-CE1 3.64Å; H583-M748 WeakPolarHBondContact CE1-CE 3.48Å
584	L	92.9	Very high	90	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.5	-179.4	-169.3	64.1	0	0	0	108.7	N568 S569 I571 I591 C593 W610 F702 W713	N568-L584 WeakPolarHBondContact CA-O 3.4Å; S569-L584 PolarHBondContact N-O 3.25Å; S569-L584 VanDerWaalsContact N-O 3.07Å; S569-L584 PolarHBondContact O-N 3.43Å; I571-L584 HydrophobicContact CD1-CD2 4.01Å; I571-L584 HydrophobicContact CG2-CB 3.84Å; I571-L584 HydrophobicContact CG2-CD2 4.34Å; L584-I591 HydrophobicContact CD1-CD1 3.99Å; L584-I591 HydrophobicContact CD1-CG1 3.9Å; L584-I591 HydrophobicContact CD2-CD1 4.18Å; L584-I591 HydrophobicContact CG-CD1 4.16Å; L584-I591 HydrophobicContact CG-CG1 4.3Å; L584-C593 HydrophobicContact CD1-CB 4.07Å; L584-W610 HydrophobicContact CD1-CH2 3.97Å; L584-F702 HydrophobicContact CD1-CE1 4.39Å; L584-F702 HydrophobicContact CD1-CZ 3.91Å; L584-F702 HydrophobicContact CD2-CE1 4.38Å; L584-F702 HydrophobicContact CD2-CE2 4.45Å; L584-F702 HydrophobicContact CD2-CZ 4.08Å; L584-W713 HydrophobicContact CB-CH2 3.86Å; L584-W713 HydrophobicContact CB-CZ2 4.18Å; L584-W713 HydrophobicContact CD2-CD2 4.3Å; L584-W713 HydrophobicContact CD2-CE3 3.95Å; L584-W713 HydrophobicContact CD2-CH2 3.64Å; L584-W713 HydrophobicContact CD2-CZ2 3.99Å; L584-W713 HydrophobicContact CD2-CZ3 3.58Å; L584-W713 HydrophobicContact CG-CH2 3.57Å; L584-W713 HydrophobicContact CG-CZ2 4.23Å; L584-W713 HydrophobicContact CG-CZ3 3.77Å
585	F	91.5	Very high	89.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.7	-179.1	-60.8	-97.9	0	0	0	108.9	M565 N568 H583 F587 I591 A592 A594 Y606 I741 M748	M565-F585 HydrophobicContact SD-CD1 3.82Å; M565-F585 HydrophobicContact SD-CE1 4.39Å; N568-F585 HydrophobicContact CB-CD1 4.19Å; H583-F585 HydrophobicContact CB-CE2 3.87Å; H583-F585 HydrophobicContact CB-CZ 4.31Å; H583-F585 AromaticContact CE1-CE1 3.83Å; H583-F585 AromaticContact CE1-CZ 3.81Å; H583-F585 AromaticContact CG-CE2 3.86Å; H583-F585 AromaticContact CG-CZ 3.9Å; H583-F585 AromaticContact ND1-CD1 3.94Å; H583-F585 AromaticContact ND1-CD2 3.72Å; H583-F585 AromaticContact ND1-CE1 3.45Å; H583-F585 WeakPolarHBondContact ND1-CE1 3.45Å; H583-F585 AromaticContact ND1-CE2 3.19Å; H583-F585 WeakPolarHBondContact ND1-CE2 3.39Å; H583-F585 AromaticContact ND1-CZ 3.04Å; H583-F585 WeakPolarHBondContact ND1-CZ 3.35Å; F585-F587 HydrophobicContact CB-CD2 4.25Å; F585-F587 HydrophobicContact CB-CE2 3.57Å; F585-F587 HydrophobicContact CB-CZ 4.12Å; F585-F587 HydrophobicContact CD1-CZ 4.49Å; F585-F587 HydrophobicContact CG-CE2 4.4Å; F585-I591 CarbonylContact O-C 3.57Å; F585-I591 WeakPolarHBondContact O-CA 3.44Å; F585-I591 WeakPolarHBondContact O-CG1 3.17Å; F585-A592 HydrophobicContact CB-CB 4.49Å; F585-A592 PolarHBondContact N-O 2.77Å; F585-A592 PolarHBondContact O-N 3.25Å; F585-A594 HydrophobicContact CE2-CB 4.01Å; F585-Y606 HydrophobicContact CE2-CD1 4.3Å; F585-Y606 HydrophobicContact CZ-CD1 4.07Å; F585-Y606 HydrophobicContact CZ-CD2 4.26Å; F585-Y606 HydrophobicContact CZ-CE1 4.19Å; F585-Y606 HydrophobicContact CZ-CE2 4.36Å; F585-Y606 HydrophobicContact CZ-CG 4.12Å; F585-I741 HydrophobicContact CD1-CG1 4.23Å; F585-I741 HydrophobicContact CD2-CD1 3.92Å; F585-I741 HydrophobicContact CD2-CG1 4.09Å; F585-I741 HydrophobicContact CE1-CG1 4.23Å; F585-I741 HydrophobicContact CE1-CG2 3.99Å; F585-I741 HydrophobicContact CE2-CD1 3.98Å; F585-I741 HydrophobicContact CE2-CG1 4.09Å; F585-I741 HydrophobicContact CE2-CG2 3.95Å; F585-I741 HydrophobicContact CG-CD1 4.41Å; F585-I741 HydrophobicContact CG-CG1 4.16Å; F585-I741 HydrophobicContact CZ-CB 4.4Å; F585-I741 HydrophobicContact CZ-CG1 4.15Å; F585-I741 HydrophobicContact CZ-CG2 3.5Å; F585-I741 VanDerWaalsContact CZ-CG2 3.5Å; F585-M748 HydrophobicContact CE1-CE 3.75Å; F585-M748 HydrophobicContact CE1-SD 3.85Å; F585-M748 HydrophobicContact CZ-CE 4.25Å
586	L	91.8	Very high	89.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.3	171.1	-176.7	60.4	0	0	0	108.6	V566 R567 I591 L614 W713 S716 I717 L720	V566-L586 PolarHBondContact N-O 3.33Å; R567-L586 HydrophobicContact CB-CB 3.95Å; R567-L586 HydrophobicContact CB-CD2 4.12Å; R567-L586 PolarHBondContact N-O 3.39Å; R567-L586 VanDerWaalsContact N-O 3.12Å; R567-L586 PolarHBondContact O-N 2.93Å; L586-I591 HydrophobicContact CD1-CB 4.11Å; L586-I591 HydrophobicContact CD1-CD1 4.39Å; L586-I591 HydrophobicContact CD1-CG1 4.28Å; L586-L614 HydrophobicContact CD1-CD1 4.25Å; L586-L614 HydrophobicContact CD1-CD2 3.82Å; L586-W713 HydrophobicContact CB-CH2 4.34Å; L586-W713 HydrophobicContact CB-CZ3 3.82Å; L586-W713 HydrophobicContact CD2-CZ3 4.41Å; L586-S716 VanDerWaalsContact CD2-CB 3.46Å; L586-I717 HydrophobicContact CD1-CG1 4Å; L586-I717 HydrophobicContact CD2-CG1 4.09Å; L586-L720 HydrophobicContact CD1-CD1 3.97Å; L586-L720 HydrophobicContact CD2-CD1 3.85Å; L586-L720 HydrophobicContact CG-CD1 3.72Å
587	F	86.9	Confident	89.4	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	172.9	168	-56.5	-92.6	0	0	0	109.9	R563 R564 M565 F585 D589 V590 A592 L720 F740 I741 M744	R563-F587 HydrophobicContact CG-CB 3.7Å; R563-F587 HydrophobicContact CG-CD1 3.61Å; R563-F587 HydrophobicContact CG-CE1 4.44Å; R563-F587 HydrophobicContact CG-CG 3.82Å; R564-F587 CarbonylContact O-C 3.56Å; R564-F587 WeakPolarHBondContact O-CA 3.24Å; R564-F587 WeakPolarHBondContact O-CB 3.43Å; M565-F587 HydrophobicContact CB-CD1 3.96Å; M565-F587 HydrophobicContact CB-CE1 3.92Å; M565-F587 HydrophobicContact CG-CE1 4.5Å; F585-F587 HydrophobicContact CB-CD2 4.25Å; F585-F587 HydrophobicContact CB-CE2 3.57Å; F585-F587 HydrophobicContact CB-CZ 4.12Å; F585-F587 HydrophobicContact CD1-CZ 4.49Å; F585-F587 HydrophobicContact CG-CE2 4.4Å; F587-D589 PolarHBondContact O-N 2.94Å; F587-V590 WeakPolarHBondContact CA-O 3.28Å; F587-V590 HydrophobicContact CB-CG1 3.95Å; F587-V590 WeakPolarHBondContact CB-O 3.45Å; F587-V590 HydrophobicContact CD2-CG1 3.7Å; F587-V590 HydrophobicContact CG-CG1 4.12Å; F587-V590 PolarHBondContact N-O 2.7Å; F587-A592 HydrophobicContact CE2-CB 4.34Å; F587-L720 WeakPolarHBondContact O-CD1 3.32Å; F587-F740 HydrophobicContact CE1-CB 4.23Å; F587-F740 HydrophobicContact CZ-CB 4.26Å; F587-I741 HydrophobicContact CE2-CG1 4.45Å; F587-I741 HydrophobicContact CZ-CG1 4.14Å; F587-M744 HydrophobicContact CE1-CG 4.42Å
588	N	83.2	Confident	88.8	Confident	29 Å²	29	27.7 Å²	27.7	16%	0.155	14%	0.136	C	C	.	.	S	Bend	trans	-66	-12.9	178.4	57.1	-38.8	0	0	0	115.1	L562 R563 R564 V566 L720 C724	L562-N588 PolarHBondContact O-ND2 3.03Å; L562-N588 PolarHBondContact O-OD1 3.39Å; R563-N588 VanDerWaalsContact CA-OD1 3.3Å; R563-N588 WeakPolarHBondContact CA-OD1 3.03Å; R564-N588 PolarHBondContact N-OD1 3.2Å; R564-N588 PolarHBondContact O-N 3.24Å; R564-N588 PolarHBondContact O-OD1 3.23Å; V566-N588 HydrophobicContact CG2-CB 4.24Å; N588-L720 HydrophobicContact CB-CD2 4.43Å; N588-C724 PolarHBondContact O-SG 3.24Å
589	D	80.8	Confident	87.7	Confident	38 Å²	38	28.6 Å²	28.6	20%	0.203	14%	0.144	C	C	.	.	S	Bend	trans	-133.9	-19.8	-177	67.6	-25.9	0	0	0	114.7	R563 F587 L614	R563-D589 WeakPolarHBondContact CD-OD1 3.48Å; R563-D589 WeakPolarHBondContact CG-OD1 3.47Å; R563-D589 IonicContact CZ-OD1 3.45Å; R563-D589 IonicContact CZ-OD2 3.96Å; R563-D589 VanDerWaalsContact CZ-OD2 3.24Å; R563-D589 VanDerWaalsContact NE-CG 3.33Å; R563-D589 IonicContact NE-OD1 3.52Å; R563-D589 PolarHBondContact NE-OD1 3.09Å; R563-D589 IonicContact NE-OD2 3.7Å; R563-D589 PolarHBondContact NE-OD2 3.3Å; R563-D589 IonicContact NH2-OD1 3.57Å; R563-D589 IonicContact NH2-OD2 2.69Å; R563-D589 PolarHBondContact NH2-OD2 3.25Å; F587-D589 PolarHBondContact O-N 2.94Å; D589-L614 PolarHBondContact O-N 3.03Å
590	V	88.6	Confident	86.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.4	-178.2	68.3	0	0	0	0	111.8	F587 F611 I612 I732	F587-V590 WeakPolarHBondContact CA-O 3.28Å; F587-V590 HydrophobicContact CB-CG1 3.95Å; F587-V590 WeakPolarHBondContact CB-O 3.45Å; F587-V590 HydrophobicContact CD2-CG1 3.7Å; F587-V590 HydrophobicContact CG-CG1 4.12Å; F587-V590 PolarHBondContact N-O 2.7Å; V590-F611 HydrophobicContact CG2-CB 3.81Å; V590-F611 HydrophobicContact CG2-CD2 3.85Å; V590-F611 HydrophobicContact CG2-CG 4.22Å; V590-I612 WeakPolarHBondContact CG2-O 3.4Å; V590-I732 HydrophobicContact CB-CD1 3.66Å; V590-I732 HydrophobicContact CG1-CD1 3.72Å; V590-I732 HydrophobicContact CG2-CD1 3.72Å
591	I	92.8	Very high	84.8	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.5	162.3	-167.8	173.2	0	0	0	109.6	L584 F585 L586 F611 I612 L614 V617 L691 W713 I717	L584-I591 HydrophobicContact CD1-CD1 3.99Å; L584-I591 HydrophobicContact CD1-CG1 3.9Å; L584-I591 HydrophobicContact CD2-CD1 4.18Å; L584-I591 HydrophobicContact CG-CD1 4.16Å; L584-I591 HydrophobicContact CG-CG1 4.3Å; F585-I591 CarbonylContact O-C 3.57Å; F585-I591 WeakPolarHBondContact O-CA 3.44Å; F585-I591 WeakPolarHBondContact O-CG1 3.17Å; L586-I591 HydrophobicContact CD1-CB 4.11Å; L586-I591 HydrophobicContact CD1-CD1 4.39Å; L586-I591 HydrophobicContact CD1-CG1 4.28Å; I591-F611 CarbonylContact O-C 3.58Å; I591-F611 VanDerWaalsContact O-CA 3.27Å; I591-F611 WeakPolarHBondContact O-CA 3.46Å; I591-I612 HydrophobicContact CG2-CB 3.94Å; I591-I612 HydrophobicContact CG2-CD1 4.43Å; I591-I612 HydrophobicContact CG2-CG1 4.45Å; I591-I612 PolarHBondContact N-O 2.71Å; I591-I612 PolarHBondContact O-N 2.92Å; I591-L614 HydrophobicContact CB-CD2 4.13Å; I591-L614 HydrophobicContact CG2-CD2 4.29Å; I591-V617 HydrophobicContact CG2-CG2 3.68Å; I591-L691 HydrophobicContact CD1-CD1 3.8Å; I591-W713 HydrophobicContact CD1-CZ3 4.12Å; I591-I717 HydrophobicContact CD1-CD1 3.94Å; I591-I717 HydrophobicContact CD1-CG1 4.44Å
592	A	93.3	Very high	83.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.9	-172.6	0	0	0	0	0	111.6	F585 F587 L608 F611 V737 I741	F585-A592 HydrophobicContact CB-CB 4.49Å; F585-A592 PolarHBondContact N-O 2.77Å; F585-A592 PolarHBondContact O-N 3.25Å; F587-A592 HydrophobicContact CE2-CB 4.34Å; A592-L608 HydrophobicContact CB-CD1 4.06Å; A592-F611 HydrophobicContact CB-CB 3.98Å; A592-V737 HydrophobicContact CB-CG1 3.53Å; A592-I741 HydrophobicContact CB-CD1 4.41Å
593	C	94.7	Very high	81.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.2	-174.5	177.6	0	0	0	0	110.7	R582 H583 L584 K609 W610	R582-C593 VanDerWaalsContact CD-SG 3.54Å; R582-C593 VanDerWaalsContact CG-SG 3.51Å; H583-C593 WeakPolarHBondContact O-CA 3.11Å; L584-C593 HydrophobicContact CD1-CB 4.07Å; C593-K609 PolarHBondContact O-N 2.87Å; C593-W610 HydrophobicContact CB-CD2 3.67Å; C593-W610 HydrophobicContact CB-CE3 4.01Å; C593-W610 HydrophobicContact CB-CG 4.35Å; C593-W610 HydrophobicContact CB-CH2 3.6Å; C593-W610 HydrophobicContact CB-CZ2 3.21Å; C593-W610 HydrophobicContact CB-CZ3 3.97Å; C593-W610 PolarHBondContact N-O 2.78Å; C593-W610 PolarHBondContact O-N 3.33Å
594	A	93.3	Very high	81.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154	-178.1	0	0	0	0	0	112.6	R582 H583 F585 Y606 E607	R582-A594 WeakPolarHBondContact CA-O 3.36Å; R582-A594 VanDerWaalsContact CD-O 3.27Å; R582-A594 WeakPolarHBondContact CD-O 3.17Å; H583-A594 PolarHBondContact N-O 3.01Å; H583-A594 PolarHBondContact O-N 2.71Å; F585-A594 HydrophobicContact CE2-CB 4.01Å; A594-Y606 HydrophobicContact CB-CD1 4.28Å; A594-E607 CarbonylContact C-O 3.51Å; A594-E607 VanDerWaalsContact CA-O 3.31Å; A594-E607 WeakPolarHBondContact CA-O 3.45Å
595	K	90.6	Very high	80.7	Confident	91 Å²	91	54.4 Å²	54.4	40%	0.396	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	120.2	164.6	173.7	-175.5	174.1	-174.9	0	108.7	E607 K609	K595-E607 HydrophobicContact CB-CB 4.36Å; K595-E607 PolarHBondContact N-O 2.79Å; K595-E607 PolarHBondContact O-N 3.11Å; K595-K609 HydrophobicContact CB-CG 4.24Å
596	Y	83.9	Confident	80.6	Confident	41 Å²	41	54.5 Å²	54.5	16%	0.161	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	141	168.4	174.4	-89.2	0	0	0	111.5	F570 A598 I604 Y606 M757	F570-Y596 AromaticContact CE1-CD2 3.92Å; F570-Y596 HydrophobicContact CE1-CD2 3.92Å; F570-Y596 AromaticContact CE1-CG 3.97Å; F570-Y596 HydrophobicContact CE1-CG 3.97Å; F570-Y596 AromaticContact CZ-CD2 3.72Å; F570-Y596 HydrophobicContact CZ-CD2 3.72Å; F570-Y596 HydrophobicContact CZ-CE2 4.1Å; F570-Y596 HydrophobicContact CZ-CG 4.25Å; Y596-A598 HydrophobicContact CE1-CB 4.38Å; Y596-I604 HydrophobicContact CD2-CG2 3.7Å; Y596-I604 HydrophobicContact CE2-CB 4.2Å; Y596-I604 HydrophobicContact CE2-CD1 3.95Å; Y596-I604 HydrophobicContact CE2-CG1 3.75Å; Y596-I604 HydrophobicContact CE2-CG2 3.43Å; Y596-I604 VanDerWaalsContact CE2-CG2 3.43Å; Y596-Y606 AromaticContact CD2-CE1 3.92Å; Y596-Y606 HydrophobicContact CD2-CE1 3.92Å; Y596-M757 PolarHBondContact OH-SD 2.7Å
597	K	82	Confident	80.5	Confident	65 Å²	65	57.5 Å²	57.5	28%	0.283	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.5	169.1	-69.5	170.1	-177.3	162.4	0	109.5	I604 D605 E607	K597-I604 CarbonylContact O-C 3.58Å; K597-I604 WeakPolarHBondContact O-CA 3.44Å; K597-D605 HydrophobicContact CB-CB 4.16Å; K597-D605 WeakPolarHBondContact CD-OD2 3.4Å; K597-D605 PolarHBondContact N-O 2.86Å; K597-D605 IonicContact NZ-OD2 3.93Å; K597-D605 PolarHBondContact O-N 3.46Å; K597-E607 WeakPolarHBondContact CE-OE2 3.3Å; K597-E607 IonicContact NZ-OE2 3.69Å; K597-E607 PolarHBondContact NZ-OE2 2.89Å
598	A	73.4	Confident	80.8	Confident	64 Å²	64	58.7 Å²	58.7	53%	0.529	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.7	163.8	0	0	0	0	0	109.3	Y596	Y596-A598 HydrophobicContact CE1-CB 4.38Å
599	L	66.9	Low	81.3	Confident	110 Å²	110	62 Å²	62	58%	0.576	31%	0.305	S	S	*	.			trans	-115.5	52.7	178.2	-67.7	-179.4	0	0	0	110.3	R603 D605	L599-R603 WeakPolarHBondContact CA-O 3.37Å; L599-R603 HydrophobicContact CB-CB 4.21Å; L599-R603 PolarHBondContact N-O 2.67Å; L599-D605 HydrophobicContact CD1-CB 3.58Å; L599-D605 HydrophobicContact CG-CB 4.06Å
600	G	64.7	Low	81.9	Confident	59 Å²	59	62.5 Å²	62.5	61%	0.608	30%	0.304	S	S	*	.	S	Bend	trans	109.7	-162.1	-173	0	0	0	0	0	111.9
601	R	57.9	Low	82.2	Confident	226 Å²	226	65 Å²	65	85%	0.853	32%	0.315	S	S	*	.	S	Bend	trans	-69.6	-47.5	-178.4	-80.8	-171.7	-90.1	-148.4	-2.6	112.9
602	D	56.7	Low	82.1	Confident	149 Å²	149	65 Å²	65	80%	0.797	32%	0.315	S	S	*	.	S	Bend	trans	-117.7	3.4	-166.1	-43	-75.8	0	0	0	114.1
603	R	64.6	Low	81.9	Confident	194 Å²	194	66 Å²	66	73%	0.732	32%	0.321	S	S	*	.			trans	-111.9	118.4	177.1	-68.4	-170.1	-179.9	-154.1	1.3	110.9	L599	L599-R603 WeakPolarHBondContact CA-O 3.37Å; L599-R603 HydrophobicContact CB-CB 4.21Å; L599-R603 PolarHBondContact N-O 2.67Å
604	I	75.9	Confident	81.6	Confident	31 Å²	31	66 Å²	66	16%	0.159	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	154.7	169.8	-66	163.4	0	0	0	108.5	Y596 K597 Y606 Q745 T750 M757	Y596-I604 HydrophobicContact CD2-CG2 3.7Å; Y596-I604 HydrophobicContact CE2-CB 4.2Å; Y596-I604 HydrophobicContact CE2-CD1 3.95Å; Y596-I604 HydrophobicContact CE2-CG1 3.75Å; Y596-I604 HydrophobicContact CE2-CG2 3.43Å; Y596-I604 VanDerWaalsContact CE2-CG2 3.43Å; K597-I604 CarbonylContact O-C 3.58Å; K597-I604 WeakPolarHBondContact O-CA 3.44Å; I604-Y606 HydrophobicContact CG2-CD2 4.16Å; I604-Y606 HydrophobicContact CG2-CE1 4.42Å; I604-Y606 HydrophobicContact CG2-CE2 3.68Å; I604-Q745 VanDerWaalsContact C-NE2 3.3Å; I604-Q745 PolarHBondContact O-NE2 3.46Å; I604-T750 HydrophobicContact CD1-CG2 4.08Å; I604-M757 HydrophobicContact CD1-CE 4.29Å; I604-M757 HydrophobicContact CD1-SD 4.32Å
605	D	81.8	Confident	81.2	Confident	45 Å²	45	70.2 Å²	70.2	24%	0.241	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.6	167.6	172.1	43.1	0	0	0	110.1	K597 L599	K597-D605 HydrophobicContact CB-CB 4.16Å; K597-D605 WeakPolarHBondContact CD-OD2 3.4Å; K597-D605 PolarHBondContact N-O 2.86Å; K597-D605 IonicContact NZ-OD2 3.93Å; K597-D605 PolarHBondContact O-N 3.46Å; L599-D605 HydrophobicContact CD1-CB 3.58Å; L599-D605 HydrophobicContact CG-CB 4.06Å
606	Y	88	Confident	81.1	Confident	3 Å²	3	67.3 Å²	67.3	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	95.7	-175.9	-73.9	-68.7	0	0	0	110.9	H583 F585 A594 Y596 I604 L608 I741 Q745 M748	H583-Y606 HydrophobicContact CB-CD1 4Å; H583-Y606 HydrophobicContact CB-CE1 3.62Å; H583-Y606 AromaticContact CG-CE1 3.64Å; F585-Y606 HydrophobicContact CE2-CD1 4.3Å; F585-Y606 HydrophobicContact CZ-CD1 4.07Å; F585-Y606 HydrophobicContact CZ-CD2 4.26Å; F585-Y606 HydrophobicContact CZ-CE1 4.19Å; F585-Y606 HydrophobicContact CZ-CE2 4.36Å; F585-Y606 HydrophobicContact CZ-CG 4.12Å; A594-Y606 HydrophobicContact CB-CD1 4.28Å; Y596-Y606 AromaticContact CD2-CE1 3.92Å; Y596-Y606 HydrophobicContact CD2-CE1 3.92Å; I604-Y606 HydrophobicContact CG2-CD2 4.16Å; I604-Y606 HydrophobicContact CG2-CE1 4.42Å; I604-Y606 HydrophobicContact CG2-CE2 3.68Å; Y606-L608 PolarHBondContact O-N 3.37Å; Y606-I741 VanDerWaalsContact CB-CG2 3.5Å; Y606-I741 HydrophobicContact CD2-CG2 3.92Å; Y606-I741 HydrophobicContact CG-CG2 3.89Å; Y606-Q745 HydrophobicContact CD2-CG 4.38Å; Y606-Q745 HydrophobicContact CE2-CG 4.12Å; Y606-M748 HydrophobicContact CE2-CE 4.33Å
607	E	90.6	Very high	81.5	Confident	63 Å²	63	65.3 Å²	65.3	29%	0.294	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	102.4	177.1	-173.2	-164.4	145.9	0	0	110.2	A594 K595 K597 K609	A594-E607 CarbonylContact C-O 3.51Å; A594-E607 VanDerWaalsContact CA-O 3.31Å; A594-E607 WeakPolarHBondContact CA-O 3.45Å; K595-E607 HydrophobicContact CB-CB 4.36Å; K595-E607 PolarHBondContact N-O 2.79Å; K595-E607 PolarHBondContact O-N 3.11Å; K597-E607 WeakPolarHBondContact CE-OE2 3.3Å; K597-E607 IonicContact NZ-OE2 3.69Å; K597-E607 PolarHBondContact NZ-OE2 2.89Å; E607-K609 PolarHBondContact O-N 2.94Å; E607-K609 WeakPolarHBondContact OE1-CE 3.46Å; E607-K609 IonicContact OE1-NZ 3.46Å; E607-K609 PolarHBondContact OE1-NZ 3.38Å
608	L	93.4	Very high	81.9	Confident	25 Å²	25	63.3 Å²	63.3	13%	0.131	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	128.8	176.5	-177.2	63.8	0	0	0	111.1	A592 Y606 W610 F611 S734 V737 T738 I741	A592-L608 HydrophobicContact CB-CD1 4.06Å; Y606-L608 PolarHBondContact O-N 3.37Å; L608-W610 WeakPolarHBondContact CD1-O 3.47Å; L608-F611 HydrophobicContact CD2-CD1 4.37Å; L608-S734 WeakPolarHBondContact CD2-O 3.15Å; L608-V737 HydrophobicContact CD1-CG1 3.8Å; L608-V737 HydrophobicContact CD2-CB 3.77Å; L608-V737 HydrophobicContact CD2-CG1 3.66Å; L608-V737 HydrophobicContact CG-CG1 4.41Å; L608-T738 WeakPolarHBondContact CD2-OG1 3.39Å; L608-I741 HydrophobicContact CD1-CD1 4.05Å
609	K	94.4	Very high	82.7	Confident	98 Å²	98	61.8 Å²	61.8	43%	0.426	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-38.4	178.9	-69.7	-51.5	-162.4	177.7	0	113.2	C593 K595 E607	C593-K609 PolarHBondContact O-N 2.87Å; K595-K609 HydrophobicContact CB-CG 4.24Å; E607-K609 PolarHBondContact O-N 2.94Å; E607-K609 WeakPolarHBondContact OE1-CE 3.46Å; E607-K609 IonicContact OE1-NZ 3.46Å; E607-K609 PolarHBondContact OE1-NZ 3.38Å
610	W	93.4	Very high	83.5	Confident	49 Å²	49	61.3 Å²	61.3	19%	0.186	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	166.1	171.8	53.5	-100.7	0	0	0	110.5	E573 L584 C593 L608 I612 I700 F702	E573-W610 PolarHBondContact OE1-NE1 3.22Å; L584-W610 HydrophobicContact CD1-CH2 3.97Å; C593-W610 HydrophobicContact CB-CD2 3.67Å; C593-W610 HydrophobicContact CB-CE3 4.01Å; C593-W610 HydrophobicContact CB-CG 4.35Å; C593-W610 HydrophobicContact CB-CH2 3.6Å; C593-W610 HydrophobicContact CB-CZ2 3.21Å; C593-W610 HydrophobicContact CB-CZ3 3.97Å; C593-W610 PolarHBondContact N-O 2.78Å; C593-W610 PolarHBondContact O-N 3.33Å; L608-W610 WeakPolarHBondContact CD1-O 3.47Å; W610-I612 HydrophobicContact CE3-CD1 4.15Å; W610-I612 HydrophobicContact CE3-CG1 3.81Å; W610-I612 HydrophobicContact CH2-CD1 4.41Å; W610-I612 HydrophobicContact CZ3-CD1 3.73Å; W610-I612 HydrophobicContact CZ3-CG1 3.76Å; W610-I700 HydrophobicContact CD2-CD1 3.67Å; W610-I700 HydrophobicContact CE3-CD1 3.95Å; W610-I700 HydrophobicContact CG-CD1 4.33Å; W610-I700 HydrophobicContact CH2-CD1 3.82Å; W610-I700 HydrophobicContact CZ2-CD1 3.49Å; W610-I700 VanDerWaalsContact CZ2-CD1 3.49Å; W610-I700 HydrophobicContact CZ2-CG2 3.82Å; W610-I700 HydrophobicContact CZ3-CD1 4.03Å; W610-F702 HydrophobicContact CH2-CE2 4.45Å; W610-F702 AromaticContact CH2-CZ 3.78Å; W610-F702 HydrophobicContact CH2-CZ 3.78Å; W610-F702 HydrophobicContact CZ2-CE1 4.32Å; W610-F702 AromaticContact CZ2-CZ 3.63Å; W610-F702 HydrophobicContact CZ2-CZ 3.63Å
611	F	93.3	Very high	83.5	Confident	52 Å²	52	63 Å²	63	23%	0.228	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	160.6	167.1	67	-93.3	0	0	0	110.3	V590 I591 A592 L608 I732 V737	V590-F611 HydrophobicContact CG2-CB 3.81Å; V590-F611 HydrophobicContact CG2-CD2 3.85Å; V590-F611 HydrophobicContact CG2-CG 4.22Å; I591-F611 CarbonylContact O-C 3.58Å; I591-F611 VanDerWaalsContact O-CA 3.27Å; I591-F611 WeakPolarHBondContact O-CA 3.46Å; A592-F611 HydrophobicContact CB-CB 3.98Å; L608-F611 HydrophobicContact CD2-CD1 4.37Å; F611-I732 HydrophobicContact CD2-CG2 4.44Å; F611-I732 HydrophobicContact CE2-CG2 3.81Å; F611-V737 HydrophobicContact CB-CG1 4.37Å; F611-V737 HydrophobicContact CB-CG2 4.45Å; F611-V737 HydrophobicContact CD1-CG2 4.18Å; F611-V737 HydrophobicContact CG-CG2 4.15Å
612	I	92.1	Very high	83.6	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	121.7	175.1	-45.6	168.2	0	0	0	107.7	V590 I591 W610 D616 V617 N693 I700	V590-I612 WeakPolarHBondContact CG2-O 3.4Å; I591-I612 HydrophobicContact CG2-CB 3.94Å; I591-I612 HydrophobicContact CG2-CD1 4.43Å; I591-I612 HydrophobicContact CG2-CG1 4.45Å; I591-I612 PolarHBondContact N-O 2.71Å; I591-I612 PolarHBondContact O-N 2.92Å; W610-I612 HydrophobicContact CE3-CD1 4.15Å; W610-I612 HydrophobicContact CE3-CG1 3.81Å; W610-I612 HydrophobicContact CH2-CD1 4.41Å; W610-I612 HydrophobicContact CZ3-CD1 3.73Å; W610-I612 HydrophobicContact CZ3-CG1 3.76Å; I612-D616 HydrophobicContact CG2-CB 4.02Å; I612-V617 HydrophobicContact CB-CG2 3.87Å; I612-V617 HydrophobicContact CG2-CG2 3.57Å; I612-N693 HydrophobicContact CD1-CB 3.95Å; I612-N693 HydrophobicContact CG1-CB 4.13Å; I612-N693 HydrophobicContact CG2-CB 4.02Å; I612-I700 HydrophobicContact CD1-CD1 4.06Å
613	P	89.1	Confident	83.4	Confident	19 Å²	19	56.6 Å²	56.6	12%	0.123	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	139.6	169.9	-19.9	32.8	0	0	0	110.4	K615 D616 V617 I732	P613-K615 HydrophobicContact CB-CD 4.49Å; P613-K615 HydrophobicContact CB-CG 3.88Å; P613-K615 PolarHBondContact O-N 2.84Å; P613-K615 VanDerWaalsContact O-N 3.13Å; P613-D616 WeakPolarHBondContact CG-OD2 3.37Å; P613-D616 WeakPolarHBondContact O-CA 3.4Å; P613-D616 WeakPolarHBondContact O-CB 3.47Å; P613-D616 PolarHBondContact O-N 3.03Å; P613-V617 PolarHBondContact O-N 2.98Å; P613-I732 HydrophobicContact CG-CG2 4.03Å
614	L	88.6	Confident	82.7	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-62.6	-27.6	-170	-72.7	-177.4	0	0	0	114.2	L586 D589 I591 D616 V617 I717 L720 K721	L586-L614 HydrophobicContact CD1-CD1 4.25Å; L586-L614 HydrophobicContact CD1-CD2 3.82Å; D589-L614 PolarHBondContact O-N 3.03Å; I591-L614 HydrophobicContact CB-CD2 4.13Å; I591-L614 HydrophobicContact CG2-CD2 4.29Å; L614-D616 PolarHBondContact O-N 3.41Å; L614-V617 HydrophobicContact CD2-CG2 4.13Å; L614-V617 PolarHBondContact O-N 3.4Å; L614-I717 HydrophobicContact CD2-CG2 4.44Å; L614-L720 HydrophobicContact CD1-CB 3.7Å; L614-L720 HydrophobicContact CD1-CD1 3.98Å; L614-L720 HydrophobicContact CD1-CG 4.5Å; L614-K721 HydrophobicContact CB-CG 4.09Å; L614-K721 VanDerWaalsContact O-CD 3.31Å; L614-K721 WeakPolarHBondContact O-CD 3.35Å; L614-K721 WeakPolarHBondContact O-CE 3.32Å; L614-K721 WeakPolarHBondContact O-CG 3.29Å
615	K	84.2	Confident	81.4	Confident	89 Å²	89	55.7 Å²	55.7	39%	0.387	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-54.1	-35.6	168.6	48.5	159.3	-176.4	169.7	0	113.4	P613 N730	P613-K615 HydrophobicContact CB-CD 4.49Å; P613-K615 HydrophobicContact CB-CG 3.88Å; P613-K615 PolarHBondContact O-N 2.84Å; P613-K615 VanDerWaalsContact O-N 3.13Å; K615-N730 PolarHBondContact NZ-OD1 2.81Å
616	D	88.9	Confident	79.7	Confident	29 Å²	29	57.5 Å²	57.5	16%	0.155	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-94.5	-7.7	-172.5	-54.4	-39.9	0	0	0	112.4	I612 P613 L614 K694 A695	I612-D616 HydrophobicContact CG2-CB 4.02Å; P613-D616 WeakPolarHBondContact CG-OD2 3.37Å; P613-D616 WeakPolarHBondContact O-CA 3.4Å; P613-D616 WeakPolarHBondContact O-CB 3.47Å; P613-D616 PolarHBondContact O-N 3.03Å; L614-D616 PolarHBondContact O-N 3.41Å; D616-K694 HydrophobicContact CB-CB 4.38Å; D616-K694 WeakPolarHBondContact O-CB 3.04Å; D616-K694 WeakPolarHBondContact O-CG 3.4Å; D616-K694 PolarHBondContact O-N 3.08Å; D616-A695 HydrophobicContact CB-CB 4.49Å
617	V	91.8	Very high	78.2	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127.6	175.5	177.6	0	0	0	0	110.8	I591 I612 P613 L614 L691 G692 I717 K721	I591-V617 HydrophobicContact CG2-CG2 3.68Å; I612-V617 HydrophobicContact CB-CG2 3.87Å; I612-V617 HydrophobicContact CG2-CG2 3.57Å; P613-V617 PolarHBondContact O-N 2.98Å; L614-V617 HydrophobicContact CD2-CG2 4.13Å; L614-V617 PolarHBondContact O-N 3.4Å; V617-L691 HydrophobicContact CG1-CD2 4.36Å; V617-G692 CarbonylContact C-O 3.56Å; V617-G692 WeakPolarHBondContact CA-O 3.36Å; V617-I717 HydrophobicContact CG1-CG2 4.03Å; V617-K721 HydrophobicContact CB-CD 4.49Å; V617-K721 WeakPolarHBondContact O-CE 3.29Å; V617-K721 PolarHBondContact O-NZ 3.36Å
618	S	90.8	Very high	76.6	Confident	23 Å²	23	64.5 Å²	64.5	16%	0.161	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	151.5	157.3	54.8	0	0	0	0	110.4	Y620 L691 G692	S618-Y620 PolarHBondContact OG-OH 2.98Å; S618-L691 CarbonylContact O-C 3.49Å; S618-L691 VanDerWaalsContact O-CA 3.31Å; S618-L691 WeakPolarHBondContact O-CA 3.19Å; S618-G692 PolarHBondContact N-O 2.86Å; S618-G692 PolarHBondContact O-N 3.31Å; S618-G692 VanDerWaalsContact OG-CA 3.24Å; S618-G692 WeakPolarHBondContact OG-CA 3.4Å; S618-G692 PolarHBondContact OG-O 3.38Å
619	I	90.2	Very high	75.3	Confident	32 Å²	32	66.7 Å²	66.7	16%	0.164	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.1	173.3	-55.3	-180	0	0	0	106.3	E621 L689 L691 I714 I717 L718	I619-E621 HydrophobicContact CG2-CG 4.13Å; I619-L689 HydrophobicContact CG2-CD1 4.2Å; I619-L691 HydrophobicContact CB-CD2 4.48Å; I619-L691 HydrophobicContact CG1-CD2 3.92Å; I619-I714 HydrophobicContact CD1-CB 4.44Å; I619-I714 HydrophobicContact CD1-CG1 4.43Å; I619-I714 HydrophobicContact CD1-CG2 4.08Å; I619-I714 HydrophobicContact CG2-CD1 4.44Å; I619-I714 HydrophobicContact CG2-CG1 4.07Å; I619-I717 HydrophobicContact CD1-CB 4.11Å; I619-I717 HydrophobicContact CD1-CG2 3.87Å; I619-I717 HydrophobicContact CG1-CG2 4.37Å; I619-L718 HydrophobicContact CD1-CD2 3.87Å; I619-L718 HydrophobicContact CD1-CG 3.89Å
620	Y	84.1	Confident	74	Confident	100 Å²	100	69.4 Å²	69.4	39%	0.392	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	103.3	168.6	-49.9	-82.4	0	0	0	107.8	S618 R690 T699	S618-Y620 PolarHBondContact OG-OH 2.98Å; Y620-R690 HydrophobicContact CD2-CB 3.95Å; Y620-R690 PolarHBondContact N-O 3.1Å; Y620-T699 HydrophobicContact CD2-CG2 4.28Å; Y620-T699 HydrophobicContact CE2-CG2 4.11Å
621	E	64.2	Low	73.3	Confident	94 Å²	94	69.1 Å²	69.1	44%	0.439	37%	0.368	S	S	.	.			trans	-73.3	-33.4	-177.9	-66.4	-166.3	132.9	0	0	112.2	I619 I714 R839	I619-E621 HydrophobicContact CG2-CG 4.13Å; E621-I714 HydrophobicContact CG-CD1 4.29Å; E621-I714 WeakPolarHBondContact OE1-CG2 3.45Å; E621-R839 IonicContact OE1-CZ 3.49Å; E621-R839 IonicContact OE1-NH1 3.58Å; E621-R839 PolarHBondContact OE1-NH1 2.99Å; E621-R839 IonicContact OE1-NH2 3.99Å; E621-R839 IonicContact OE2-NH1 3.92Å
622	E	59.6	Low	72.3	Confident	168 Å²	168	70 Å²	70	79%	0.785	38%	0.38	S	S	*	.	S	Bend	trans	-82.8	138.8	172.4	-68.9	-175.6	118.5	0	0	112.1	D624 R690	E622-D624 PolarHBondContact O-N 2.93Å; E622-R690 PolarHBondContact O-NH2 2.96Å
623	A	52.3	Low	71.4	Confident	72 Å²	72	73.6 Å²	73.6	60%	0.595	41%	0.405	S	S	*	.			trans	-84.5	101	157.9	0	0	0	0	0	107.6	P625	A623-P625 VanDerWaalsContact O-CD 3.31Å; A623-P625 WeakPolarHBondContact O-CD 3.25Å; A623-P625 VanDerWaalsContact O-N 3.16Å
624	D	50.1	Low	70.9	Confident	81 Å²	81	77 Å²	77	43%	0.433	43%	0.428	S	S	.	.			trans	-59	114.2	167.5	174.3	-2	0	0	0	108	E622 A626 V627	E622-D624 PolarHBondContact O-N 2.93Å; D624-A626 PolarHBondContact O-N 3.12Å; D624-A626 VanDerWaalsContact O-N 3.14Å; D624-A626 WeakPolarHBondContact OD1-CB 3.46Å; D624-A626 PolarHBondContact OD1-N 2.96Å; D624-V627 HydrophobicContact CB-CG2 4.21Å; D624-V627 PolarHBondContact O-N 2.89Å
625	P	48.9	Very low	70.4	Confident	126 Å²	126	79.2 Å²	79.2	82%	0.818	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.3	-172.5	29.4	-35.8	0	0	0	113.1	A623 V627	A623-P625 VanDerWaalsContact O-CD 3.31Å; A623-P625 WeakPolarHBondContact O-CD 3.25Å; A623-P625 VanDerWaalsContact O-N 3.16Å; P625-V627 VanDerWaalsContact C-N 3.26Å
626	A	45.3	Very low	70.4	Confident	82 Å²	82	79.2 Å²	79.2	68%	0.678	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-18.7	171.5	0	0	0	0	0	113	D624 E628	D624-A626 PolarHBondContact O-N 3.12Å; D624-A626 VanDerWaalsContact O-N 3.14Å; D624-A626 WeakPolarHBondContact OD1-CB 3.46Å; D624-A626 PolarHBondContact OD1-N 2.96Å; A626-E628 PolarHBondContact O-N 3.43Å
627	V	57.5	Low	70.3	Confident	74 Å²	74	80.1 Å²	80.1	45%	0.448	46%	0.455	S	S	.	.	S	Bend	trans	-89.8	78.6	179.6	-171.5	0	0	0	0	110.2	D624 P625 L629	D624-V627 HydrophobicContact CB-CG2 4.21Å; D624-V627 PolarHBondContact O-N 2.89Å; P625-V627 VanDerWaalsContact C-N 3.26Å; V627-L629 PolarHBondContact O-N 3.37Å; V627-L629 VanDerWaalsContact O-N 3.11Å
628	E	55.7	Low	70	Confident	139 Å²	139	84 Å²	84	65%	0.65	48%	0.481	S	S	*	.			trans	-52	116.5	171.5	-72.1	-171.7	141.4	0	0	111.2	A626 K630	A626-E628 PolarHBondContact O-N 3.43Å; E628-K630 HydrophobicContact CB-CG 4.32Å; E628-K630 PolarHBondContact O-N 2.82Å; E628-K630 WeakPolarHBondContact OE2-CE 3.5Å; E628-K630 IonicContact OE2-NZ 2.75Å; E628-K630 PolarHBondContact OE2-NZ 3.45Å
629	L	67.9	Low	69.8	Low	72 Å²	72	87.5 Å²	87.5	38%	0.377	50%	0.495	S	S	.	.			trans	-74	90.1	171.4	-67.6	-178.9	0	0	0	109.8	L574 V627 E631 V688 T701 F703	L574-L629 HydrophobicContact CD2-CD2 4.27Å; V627-L629 PolarHBondContact O-N 3.37Å; V627-L629 VanDerWaalsContact O-N 3.11Å; L629-E631 PolarHBondContact O-N 2.82Å; L629-V688 HydrophobicContact CD1-CG1 4.39Å; L629-V688 HydrophobicContact CD1-CG2 3.66Å; L629-T701 HydrophobicContact CD1-CG2 4.46Å; L629-T701 HydrophobicContact CD2-CG2 4.03Å; L629-F703 HydrophobicContact CD1-CE1 4.05Å; L629-F703 HydrophobicContact CD1-CZ 4.32Å
630	K	66.1	Low	69.7	Low	155 Å²	155	86.4 Å²	86.4	67%	0.674	49%	0.49	S	S	*	.			trans	-72.8	75.6	178.7	-66	-174.6	-179.7	-176.3	0	111.6	G577 E628	G577-K630 WeakPolarHBondContact CA-O 3.19Å; E628-K630 HydrophobicContact CB-CG 4.32Å; E628-K630 PolarHBondContact O-N 2.82Å; E628-K630 WeakPolarHBondContact OE2-CE 3.5Å; E628-K630 IonicContact OE2-NZ 2.75Å; E628-K630 PolarHBondContact OE2-NZ 3.45Å
631	E	78.4	Confident	69.7	Low	43 Å²	43	84.1 Å²	84.1	20%	0.201	48%	0.482	C	S	.	.			trans	-70.6	124.7	163.9	-176.6	166.2	-170	0	0	109.4	G577 R579 L629 S633 P634	G577-E631 WeakPolarHBondContact O-CA 3.48Å; R579-E631 WeakPolarHBondContact CD-OE1 3.37Å; R579-E631 WeakPolarHBondContact CG-OE1 3.3Å; R579-E631 IonicContact CZ-OE1 2.6Å; R579-E631 IonicContact CZ-OE2 3.21Å; R579-E631 VanDerWaalsContact CZ-OE2 3.3Å; R579-E631 IonicContact NE-OE1 2.82Å; R579-E631 PolarHBondContact NE-OE1 2.88Å; R579-E631 IonicContact NE-OE2 3.86Å; R579-E631 PolarHBondContact NE-OE2 3.42Å; R579-E631 IonicContact NH2-OE1 3.68Å; R579-E631 IonicContact NH2-OE2 3.77Å; R579-E631 PolarHBondContact NH2-OE2 3.02Å; L629-E631 PolarHBondContact O-N 2.82Å; E631-S633 VanDerWaalsContact C-N 3.34Å; E631-S633 PolarHBondContact O-N 3.11Å; E631-P634 HydrophobicContact CG-CB 4.25Å
632	S	72.1	Confident	70.8	Confident	70 Å²	70	87.4 Å²	87.4	49%	0.49	49%	0.49	S	S	.	.	S	Bend	trans	-74	-24.4	-171.8	51.6	0	0	0	0	113.6	G577 H578	G577-S632 PolarHBondContact O-N 3.44Å; G577-S632 PolarHBondContact O-OG 3.19Å; H578-S632 PolarHBondContact CD2-OG 2.93Å; H578-S632 PolarHBondContact CE1-OG 3.03Å; H578-S632 PolarHBondContact ND1-OG 2.91Å; H578-S632 PolarHBondContact NE2-OG 3.35Å
633	S	73.9	Confident	72.2	Confident	77 Å²	77	82.6 Å²	82.6	54%	0.538	47%	0.47	S	S	.	.	S	Bend	trans	-155.8	76.7	179.6	63.3	0	0	0	0	111.4	E631 A635	E631-S633 VanDerWaalsContact C-N 3.34Å; E631-S633 PolarHBondContact O-N 3.11Å; S633-A635 PolarHBondContact O-N 3.23Å
634	P	77.6	Confident	73.7	Confident	91 Å²	91	79.3 Å²	79.3	59%	0.591	44%	0.443	S	S	*	.			trans	-63.9	126	179.3	26.3	-34.1	0	0	0	110.9	E631	E631-P634 HydrophobicContact CG-CB 4.25Å
635	A	78.5	Confident	75.2	Confident	47 Å²	47	80.5 Å²	80.5	39%	0.388	44%	0.441	S	S	.	.			trans	-74.1	136	-175.3	0	0	0	0	0	112.2	S633 I637 A683	S633-A635 PolarHBondContact O-N 3.23Å; A635-I637 PolarHBondContact O-N 3.09Å; A635-A683 HydrophobicContact CB-CB 3.8Å
636	N	85.4	Confident	77	Confident	89 Å²	89	77.1 Å²	77.1	48%	0.476	42%	0.42	S	S	.	.			trans	-74.2	86.7	175.5	-175.2	-20.8	0	0	0	110.6	S638 Q639 V640	N636-S638 PolarHBondContact O-N 3.32Å; N636-S638 PolarHBondContact OD1-N 3.13Å; N636-Q639 HydrophobicContact CB-CB 3.91Å; N636-Q639 VanDerWaalsContact CG-CB 3.49Å; N636-Q639 PolarHBondContact ND2-OE1 3.48Å; N636-Q639 WeakPolarHBondContact O-CA 3.2Å; N636-Q639 WeakPolarHBondContact O-CB 3.35Å; N636-Q639 PolarHBondContact O-N 3.15Å; N636-Q639 PolarHBondContact OD1-N 3.31Å; N636-Q639 VanDerWaalsContact OD1-N 3.09Å; N636-V640 PolarHBondContact O-N 3.16Å
637	I	85.3	Confident	79	Confident	48 Å²	48	73.8 Å²	73.8	25%	0.246	39%	0.392	C	S	.	.	H	α-helix	trans	-50.4	-43.8	-176.7	-57	172.5	0	0	0	111.5	A635 Q639 V640 K641 L680 A683 T684	A635-I637 PolarHBondContact O-N 3.09Å; I637-Q639 VanDerWaalsContact C-N 3.33Å; I637-Q639 PolarHBondContact O-N 3.09Å; I637-V640 PolarHBondContact O-N 2.69Å; I637-K641 HydrophobicContact CG2-CD 4.13Å; I637-K641 HydrophobicContact CG2-CG 4.4Å; I637-K641 WeakPolarHBondContact O-CB 3.46Å; I637-K641 WeakPolarHBondContact O-CG 3.49Å; I637-K641 PolarHBondContact O-N 3.5Å; I637-L680 HydrophobicContact CG2-CD2 4.06Å; I637-A683 WeakPolarHBondContact CD1-O 3.44Å; I637-A683 HydrophobicContact CG1-CB 4.04Å; I637-T684 HydrophobicContact CG2-CG2 3.93Å
638	S	85.5	Confident	80.1	Confident	80 Å²	80	72.5 Å²	72.5	56%	0.559	38%	0.379	S	S	*	.	H	α-helix	trans	-65.4	-33.7	179.8	-53.8	0	0	0	0	113.1	N636 R642	N636-S638 PolarHBondContact O-N 3.32Å; N636-S638 PolarHBondContact OD1-N 3.13Å; S638-R642 WeakPolarHBondContact O-CB 3.43Å; S638-R642 PolarHBondContact O-N 3.38Å; S638-R642 VanDerWaalsContact O-N 3.14Å
639	Q	88	Confident	81.4	Confident	97 Å²	97	68.9 Å²	68.9	45%	0.453	36%	0.364	S	S	.	.	H	α-helix	trans	-73.4	-43.6	173.8	-175.5	177.3	-1	0	0	111.6	N636 I637 K641 R642 N643	N636-Q639 HydrophobicContact CB-CB 3.91Å; N636-Q639 VanDerWaalsContact CG-CB 3.49Å; N636-Q639 PolarHBondContact ND2-OE1 3.48Å; N636-Q639 WeakPolarHBondContact O-CA 3.2Å; N636-Q639 WeakPolarHBondContact O-CB 3.35Å; N636-Q639 PolarHBondContact O-N 3.15Å; N636-Q639 PolarHBondContact OD1-N 3.31Å; N636-Q639 VanDerWaalsContact OD1-N 3.09Å; I637-Q639 VanDerWaalsContact C-N 3.33Å; I637-Q639 PolarHBondContact O-N 3.09Å; Q639-K641 PolarHBondContact O-N 3.45Å; Q639-R642 PolarHBondContact O-N 3.37Å; Q639-N643 PolarHBondContact O-N 3.26Å; Q639-N643 PolarHBondContact O-OD1 2.89Å
640	V	87.1	Confident	82.2	Confident	10 Å²	10	68.5 Å²	68.5	6%	0.061	36%	0.36	C	S	.	.	H	α-helix	trans	-60.9	-45.4	176.5	-179.4	0	0	0	0	110.5	N636 I637 R642 N643 L644 L676 Q679 L680	N636-V640 PolarHBondContact O-N 3.16Å; I637-V640 PolarHBondContact O-N 2.69Å; V640-R642 PolarHBondContact O-N 3.47Å; V640-N643 PolarHBondContact O-N 3.13Å; V640-L644 VanDerWaalsContact O-CB 3.27Å; V640-L644 WeakPolarHBondContact O-CB 3.44Å; V640-L644 PolarHBondContact O-N 2.93Å; V640-L676 HydrophobicContact CG1-CB 4.36Å; V640-L676 HydrophobicContact CG1-CD2 4.1Å; V640-L676 WeakPolarHBondContact CG1-O 3.45Å; V640-Q679 HydrophobicContact CG1-CB 4.11Å; V640-L680 HydrophobicContact CB-CD2 3.82Å; V640-L680 HydrophobicContact CB-CG 4.5Å; V640-L680 HydrophobicContact CG1-CD2 3.57Å; V640-L680 HydrophobicContact CG1-CG 3.71Å
641	K	85.3	Confident	82.9	Confident	51 Å²	51	62.4 Å²	62.4	22%	0.222	34%	0.335	C	S	.	.	H	α-helix	trans	-58.8	-44	173.7	-75.5	-178.6	171.1	-162.7	0	112.9	I637 Q639 L644 R645 L680 E824	I637-K641 HydrophobicContact CG2-CD 4.13Å; I637-K641 HydrophobicContact CG2-CG 4.4Å; I637-K641 WeakPolarHBondContact O-CB 3.46Å; I637-K641 WeakPolarHBondContact O-CG 3.49Å; I637-K641 PolarHBondContact O-N 3.5Å; Q639-K641 PolarHBondContact O-N 3.45Å; K641-L644 PolarHBondContact O-N 2.75Å; K641-R645 WeakPolarHBondContact O-CG 3.4Å; K641-R645 PolarHBondContact O-N 2.84Å; K641-L680 HydrophobicContact CG-CD1 3.97Å; K641-L680 HydrophobicContact CG-CD2 3.97Å; K641-E824 WeakPolarHBondContact CD-OE1 3.3Å; K641-E824 WeakPolarHBondContact CE-OE2 3.39Å; K641-E824 IonicContact NZ-OE1 3.16Å; K641-E824 IonicContact NZ-OE2 2.62Å; K641-E824 PolarHBondContact NZ-OE2 2.95Å
642	R	86.1	Confident	82.8	Confident	163 Å²	163	62 Å²	62	62%	0.615	34%	0.338	S	S	*	.	H	α-helix	trans	-63	-44.9	177	-172.3	-175.2	-62	105.5	-0.1	112	S638 Q639 V640 L644 R645 S646	S638-R642 WeakPolarHBondContact O-CB 3.43Å; S638-R642 PolarHBondContact O-N 3.38Å; S638-R642 VanDerWaalsContact O-N 3.14Å; Q639-R642 PolarHBondContact O-N 3.37Å; V640-R642 PolarHBondContact O-N 3.47Å; R642-L644 VanDerWaalsContact C-N 3.32Å; R642-L644 PolarHBondContact O-N 3.17Å; R642-R645 PolarHBondContact O-N 2.83Å; R642-S646 PolarHBondContact O-N 3.32Å; R642-S646 VanDerWaalsContact O-N 3.09Å
643	N	88.7	Confident	83.1	Confident	68 Å²	68	64 Å²	64	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-61.2	-43.6	176.8	-67.2	-5.4	0	0	0	110.8	Q639 V640 S646 V647 L676	Q639-N643 PolarHBondContact O-N 3.26Å; Q639-N643 PolarHBondContact O-OD1 2.89Å; V640-N643 PolarHBondContact O-N 3.13Å; N643-S646 PolarHBondContact O-N 2.67Å; N643-V647 VanDerWaalsContact O-CG2 3.29Å; N643-V647 WeakPolarHBondContact O-CG2 3.38Å; N643-V647 PolarHBondContact O-N 3.12Å; N643-L676 HydrophobicContact CB-CD1 3.98Å; N643-L676 HydrophobicContact CB-CD2 3.99Å
644	L	84.5	Confident	83.3	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-61.9	-47.7	179.1	-179	169.2	0	0	0	111.7	V640 K641 R642 V647 R648 L673 L676 E677 L680 Y795	V640-L644 VanDerWaalsContact O-CB 3.27Å; V640-L644 WeakPolarHBondContact O-CB 3.44Å; V640-L644 PolarHBondContact O-N 2.93Å; K641-L644 PolarHBondContact O-N 2.75Å; R642-L644 VanDerWaalsContact C-N 3.32Å; R642-L644 PolarHBondContact O-N 3.17Å; L644-V647 PolarHBondContact O-N 3.13Å; L644-R648 HydrophobicContact CD2-CG 4.27Å; L644-R648 PolarHBondContact O-N 2.96Å; L644-L673 HydrophobicContact CG-CD2 4.36Å; L644-L676 HydrophobicContact CB-CB 4.31Å; L644-L676 HydrophobicContact CB-CD1 4.42Å; L644-E677 HydrophobicContact CD1-CG 3.56Å; L644-E677 HydrophobicContact CG-CG 4.22Å; L644-L680 HydrophobicContact CD1-CD1 3.48Å; L644-L680 VanDerWaalsContact CD1-CD1 3.48Å; L644-L680 HydrophobicContact CD1-CG 4.5Å; L644-Y795 HydrophobicContact CD1-CE1 3.98Å; L644-Y795 HydrophobicContact CD1-CE2 4.45Å
645	R	81.8	Confident	83.1	Confident	107 Å²	107	61.9 Å²	61.9	40%	0.404	32%	0.321	S	S	.	.	H	α-helix	trans	-55.1	-54.6	173.9	-68.4	179.9	-162.7	-155.1	4.8	110.2	K641 R642 V647 R648 D649 E822 E824	K641-R645 WeakPolarHBondContact O-CG 3.4Å; K641-R645 PolarHBondContact O-N 2.84Å; R642-R645 PolarHBondContact O-N 2.83Å; R645-V647 VanDerWaalsContact C-N 3.28Å; R645-V647 PolarHBondContact O-N 3.12Å; R645-V647 VanDerWaalsContact O-N 3.17Å; R645-R648 WeakPolarHBondContact O-CA 3.22Å; R645-R648 WeakPolarHBondContact O-CB 3.16Å; R645-R648 PolarHBondContact O-N 2.91Å; R645-D649 PolarHBondContact O-N 3.44Å; R645-D649 VanDerWaalsContact O-OD2 3.09Å; R645-E822 IonicContact CZ-OE1 3.77Å; R645-E822 VanDerWaalsContact CZ-OE1 3.32Å; R645-E822 IonicContact NH1-OE1 3.37Å; R645-E822 PolarHBondContact NH1-OE1 3.35Å; R645-E822 IonicContact NH2-OE1 2.71Å; R645-E822 PolarHBondContact NH2-OE1 2.95Å; R645-E822 IonicContact NH2-OE2 2.74Å; R645-E824 IonicContact CZ-OE1 2.75Å; R645-E824 IonicContact NE-OE1 3.93Å; R645-E824 IonicContact NH2-OE1 2.7Å; R645-E824 PolarHBondContact NH2-OE1 2.81Å
646	S	86.7	Confident	82.7	Confident	54 Å²	54	63.6 Å²	63.6	38%	0.378	34%	0.335	S	S	.	.	H	α-helix	trans	-58.1	-34.3	179.8	-171.8	0	0	0	0	114.4	R642 N643 D649 Q650	R642-S646 PolarHBondContact O-N 3.32Å; R642-S646 VanDerWaalsContact O-N 3.09Å; N643-S646 PolarHBondContact O-N 2.67Å; S646-D649 WeakPolarHBondContact CA-OD2 3.47Å; S646-Q650 VanDerWaalsContact O-CG 3.24Å; S646-Q650 WeakPolarHBondContact O-CG 3.47Å; S646-Q650 PolarHBondContact O-N 3.19Å; S646-Q650 VanDerWaalsContact O-N 3.08Å; S646-Q650 PolarHBondContact O-NE2 3.03Å; S646-Q650 PolarHBondContact OG-NE2 3.19Å; S646-Q650 VanDerWaalsContact OG-NE2 3.11Å
647	V	85.9	Confident	81.9	Confident	13 Å²	13	65.7 Å²	65.7	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-75.6	-30.9	175.8	174.5	0	0	0	0	111.9	N643 L644 R645 L651 Y669 K672 L673 L676	N643-V647 VanDerWaalsContact O-CG2 3.29Å; N643-V647 WeakPolarHBondContact O-CG2 3.38Å; N643-V647 PolarHBondContact O-N 3.12Å; L644-V647 PolarHBondContact O-N 3.13Å; R645-V647 VanDerWaalsContact C-N 3.28Å; R645-V647 PolarHBondContact O-N 3.12Å; R645-V647 VanDerWaalsContact O-N 3.17Å; V647-L651 WeakPolarHBondContact O-CB 3.37Å; V647-L651 PolarHBondContact O-N 3.2Å; V647-L651 VanDerWaalsContact O-N 3.07Å; V647-Y669 HydrophobicContact CG1-CD1 4.25Å; V647-K672 HydrophobicContact CG1-CB 3.91Å; V647-K672 HydrophobicContact CG1-CD 4.47Å; V647-L673 HydrophobicContact CB-CD2 3.8Å; V647-L673 HydrophobicContact CB-CG 4.48Å; V647-L673 HydrophobicContact CG1-CD2 3.56Å; V647-L673 HydrophobicContact CG1-CG 3.69Å; V647-L676 HydrophobicContact CG2-CD1 4.12Å
648	R	82.5	Confident	80.6	Confident	46 Å²	46	65.5 Å²	65.5	17%	0.174	35%	0.349	C	S	.	.	H	α-helix	trans	-65.7	-44.1	170	-71.8	-173.9	177.6	165.9	1.8	110.8	L644 R645 Q650 L651 A652 L673 E677 Y795	L644-R648 HydrophobicContact CD2-CG 4.27Å; L644-R648 PolarHBondContact O-N 2.96Å; R645-R648 WeakPolarHBondContact O-CA 3.22Å; R645-R648 WeakPolarHBondContact O-CB 3.16Å; R645-R648 PolarHBondContact O-N 2.91Å; R648-Q650 VanDerWaalsContact C-N 3.35Å; R648-Q650 PolarHBondContact O-N 3.22Å; R648-L651 PolarHBondContact O-N 3.42Å; R648-A652 WeakPolarHBondContact O-CB 3.36Å; R648-A652 PolarHBondContact O-N 2.82Å; R648-L673 HydrophobicContact CG-CD1 3.92Å; R648-L673 HydrophobicContact CG-CD2 3.58Å; R648-L673 HydrophobicContact CG-CG 4.43Å; R648-E677 IonicContact CZ-OE1 3.69Å; R648-E677 IonicContact NE-OE1 3.02Å; R648-E677 IonicContact NH2-OE1 2.71Å; R648-E677 PolarHBondContact NH2-OE1 2.65Å; R648-Y795 PolarHBondContact NH1-OH 3.3Å; R648-Y795 PolarHBondContact NH2-OH 2.94Å; R648-Y795 VanDerWaalsContact NH2-OH 3.12Å
649	D	81.7	Confident	79	Confident	64 Å²	64	65 Å²	65	34%	0.342	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-44.3	178.1	-51	-35.4	0	0	0	111.2	R645 S646 A652 M653	R645-D649 PolarHBondContact O-N 3.44Å; R645-D649 VanDerWaalsContact O-OD2 3.09Å; S646-D649 WeakPolarHBondContact CA-OD2 3.47Å; D649-A652 PolarHBondContact O-N 3.1Å; D649-M653 WeakPolarHBondContact O-CG 3.39Å; D649-M653 PolarHBondContact O-N 3.14Å
650	Q	84.4	Confident	77.4	Confident	64 Å²	64	66.9 Å²	66.9	30%	0.299	38%	0.381	S	S	.	.	H	α-helix	trans	-59.7	-45.2	174.4	-75.1	162.4	56.3	0	0	112.3	S646 R648 E654 Y669	S646-Q650 VanDerWaalsContact O-CG 3.24Å; S646-Q650 WeakPolarHBondContact O-CG 3.47Å; S646-Q650 PolarHBondContact O-N 3.19Å; S646-Q650 VanDerWaalsContact O-N 3.08Å; S646-Q650 PolarHBondContact O-NE2 3.03Å; S646-Q650 PolarHBondContact OG-NE2 3.19Å; S646-Q650 VanDerWaalsContact OG-NE2 3.11Å; R648-Q650 VanDerWaalsContact C-N 3.35Å; R648-Q650 PolarHBondContact O-N 3.22Å; Q650-E654 WeakPolarHBondContact O-CB 3.48Å; Q650-E654 PolarHBondContact O-N 2.85Å; Q650-Y669 HydrophobicContact CB-CD1 4.18Å; Q650-Y669 HydrophobicContact CB-CE1 4.04Å
651	L	82.3	Confident	75.8	Confident	27 Å²	27	69.5 Å²	69.5	14%	0.141	41%	0.41	C	S	.	.	H	α-helix	trans	-65.3	-40	177.2	177.1	60.3	0	0	0	111.9	V647 R648 E654 V655 R670 L673	V647-L651 WeakPolarHBondContact O-CB 3.37Å; V647-L651 PolarHBondContact O-N 3.2Å; V647-L651 VanDerWaalsContact O-N 3.07Å; R648-L651 PolarHBondContact O-N 3.42Å; L651-E654 PolarHBondContact O-N 3.33Å; L651-V655 HydrophobicContact CD1-CG2 4.13Å; L651-V655 WeakPolarHBondContact O-CB 3.35Å; L651-V655 VanDerWaalsContact O-CG2 3.31Å; L651-V655 WeakPolarHBondContact O-CG2 3.33Å; L651-V655 PolarHBondContact O-N 2.96Å; L651-R670 HydrophobicContact CD2-CG 4.06Å; L651-L673 HydrophobicContact CD2-CD1 3.79Å
652	A	76.6	Confident	74.3	Confident	33 Å²	33	68.2 Å²	68.2	27%	0.273	41%	0.408	S	S	.	.	H	α-helix	trans	-64.7	-44.2	177.9	0	0	0	0	0	112	R648 D649 V655 A656 L883	R648-A652 WeakPolarHBondContact O-CB 3.36Å; R648-A652 PolarHBondContact O-N 2.82Å; D649-A652 PolarHBondContact O-N 3.1Å; A652-V655 PolarHBondContact O-N 3.43Å; A652-A656 WeakPolarHBondContact O-CB 3.42Å; A652-A656 PolarHBondContact O-N 2.96Å; A652-L883 HydrophobicContact CB-CD1 3.85Å; A652-L883 HydrophobicContact CB-CD2 3.67Å; A652-L883 HydrophobicContact CB-CG 4.45Å
653	M	78	Confident	72.8	Confident	112 Å²	112	67.4 Å²	67.4	55%	0.552	41%	0.41	S	S	*	.	H	α-helix	trans	-64	-41.1	173.7	-70.3	-161.7	-58.5	0	0	112.3	D649 A656 N657	D649-M653 WeakPolarHBondContact O-CG 3.39Å; D649-M653 PolarHBondContact O-N 3.14Å; M653-A656 PolarHBondContact O-N 3.19Å; M653-N657 VanDerWaalsContact O-CB 3.31Å; M653-N657 WeakPolarHBondContact O-CB 3.23Å; M653-N657 PolarHBondContact O-N 3.48Å; M653-N657 PolarHBondContact O-ND2 3.19Å
654	E	76.4	Confident	71.4	Confident	39 Å²	39	74.6 Å²	74.6	18%	0.182	43%	0.432	C	S	.	.	H	α-helix	trans	-65	-40.2	178.9	-172.5	169.7	-106.2	0	0	111.9	Q650 L651 N657 S658 S665 G666 Y669	Q650-E654 WeakPolarHBondContact O-CB 3.48Å; Q650-E654 PolarHBondContact O-N 2.85Å; L651-E654 PolarHBondContact O-N 3.33Å; E654-N657 PolarHBondContact O-N 3.14Å; E654-S658 WeakPolarHBondContact O-CB 3.46Å; E654-S658 PolarHBondContact O-N 3.47Å; E654-S658 PolarHBondContact O-OG 2.89Å; E654-S665 WeakPolarHBondContact OE1-CB 3.5Å; E654-S665 WeakPolarHBondContact OE2-CB 2.95Å; E654-G666 WeakPolarHBondContact OE2-CA 3.41Å; E654-G666 PolarHBondContact OE2-N 2.93Å; E654-Y669 WeakPolarHBondContact OE1-CE2 3.31Å; E654-Y669 VanDerWaalsContact OE2-CD2 3.28Å; E654-Y669 WeakPolarHBondContact OE2-CD2 3.45Å; E654-Y669 WeakPolarHBondContact OE2-CE2 3.36Å
655	V	73.9	Confident	70.4	Confident	85 Å²	85	77.3 Å²	77.3	52%	0.515	45%	0.451	S	S	.	.	H	α-helix	trans	-65.7	-39.9	174	169.6	0	0	0	0	111.7	L651 A652	L651-V655 HydrophobicContact CD1-CG2 4.13Å; L651-V655 WeakPolarHBondContact O-CB 3.35Å; L651-V655 VanDerWaalsContact O-CG2 3.31Å; L651-V655 WeakPolarHBondContact O-CG2 3.33Å; L651-V655 PolarHBondContact O-N 2.96Å; A652-V655 PolarHBondContact O-N 3.43Å
656	A	71	Confident	69.8	Low	84 Å²	84	72.3 Å²	72.3	69%	0.694	43%	0.433	S	S	*	.	H	α-helix	trans	-68.7	-33.5	177.9	0	0	0	0	0	113.4	A652 M653	A652-A656 WeakPolarHBondContact O-CB 3.42Å; A652-A656 PolarHBondContact O-N 2.96Å; M653-A656 PolarHBondContact O-N 3.19Å
657	N	68.7	Low	69.2	Low	133 Å²	133	72.1 Å²	72.1	71%	0.711	43%	0.428	S	S	*	.	H	α-helix	trans	-91.3	-11	-174.2	-67.4	-15.6	0	0	0	114.5	M653 E654	M653-N657 VanDerWaalsContact O-CB 3.31Å; M653-N657 WeakPolarHBondContact O-CB 3.23Å; M653-N657 PolarHBondContact O-N 3.48Å; M653-N657 PolarHBondContact O-ND2 3.19Å; E654-N657 PolarHBondContact O-N 3.14Å
658	S	56.8	Low	69.1	Low	43 Å²	43	77.6 Å²	77.6	30%	0.301	45%	0.45	S	S	.	.			trans	-117.1	92.8	-165	-54.8	0	0	0	0	113.8	E654 S660	E654-S658 WeakPolarHBondContact O-CB 3.46Å; E654-S658 PolarHBondContact O-N 3.47Å; E654-S658 PolarHBondContact O-OG 2.89Å; S658-S660 PolarHBondContact O-N 3.38Å
659	G	52.9	Low	69	Low	71 Å²	71	77.8 Å²	77.8	73%	0.732	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	120.3	169.5	0	0	0	0	0	112.3	G661	G659-G661 PolarHBondContact O-N 3.31Å
660	S	53.7	Low	68.9	Low	135 Å²	135	79.9 Å²	79.9	94%	0.944	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	-33.2	174.5	73.1	0	0	0	0	119.8	S658 A662	S658-S660 PolarHBondContact O-N 3.38Å; S660-A662 VanDerWaalsContact C-N 3.28Å; S660-A662 PolarHBondContact O-N 2.92Å
661	G	53	Low	68.8	Low	65 Å²	65	84.2 Å²	84.2	67%	0.67	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.9	179.1	0	0	0	0	0	115.6	G659 F663	G659-G661 PolarHBondContact O-N 3.31Å; G661-F663 PolarHBondContact O-N 2.91Å
662	A	54	Low	68.9	Low	24 Å²	24	86.9 Å²	86.9	20%	0.198	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.7	-166.6	0	0	0	0	0	116.6	S660 R664 S665 G666	S660-A662 VanDerWaalsContact C-N 3.28Å; S660-A662 PolarHBondContact O-N 2.92Å; A662-R664 PolarHBondContact O-N 3.33Å; A662-S665 PolarHBondContact O-N 3.45Å; A662-G666 PolarHBondContact O-N 2.96Å
663	F	55.5	Low	69.2	Low	146 Å²	146	85.9 Å²	85.9	64%	0.64	47%	0.469	S	S	*	.	H	α-helix	trans	-56.5	-50.2	-162	-158.9	-85	0	0	0	113.7	G661 D667	G661-F663 PolarHBondContact O-N 2.91Å; F663-D667 WeakPolarHBondContact CE1-OD2 3.26Å; F663-D667 PolarHBondContact O-N 2.81Å
664	R	59.5	Low	69.3	Low	220 Å²	220	82.5 Å²	82.5	83%	0.83	46%	0.458	S	S	*	.	H	α-helix	trans	-72	-32.4	-171.5	-68.3	-176	176.4	-176.3	-0.2	114.3	A662	A662-R664 PolarHBondContact O-N 3.33Å
665	S	62.3	Low	69.6	Low	59 Å²	59	85 Å²	85	41%	0.413	47%	0.473	S	S	.	.	H	α-helix	trans	-80.7	-41.5	179.5	-56.5	0	0	0	0	111.2	E654 A662 D667 K668 Y669	E654-S665 WeakPolarHBondContact OE1-CB 3.5Å; E654-S665 WeakPolarHBondContact OE2-CB 2.95Å; A662-S665 PolarHBondContact O-N 3.45Å; S665-D667 PolarHBondContact O-N 3.29Å; S665-K668 WeakPolarHBondContact O-CA 3.46Å; S665-K668 WeakPolarHBondContact O-CB 3.45Å; S665-K668 PolarHBondContact O-N 3.04Å; S665-Y669 WeakPolarHBondContact O-CD2 3.49Å; S665-Y669 PolarHBondContact O-N 2.88Å
666	G	69.6	Low	70.2	Confident	2 Å²	2	82 Å²	82	2%	0.021	45%	0.454	C	S	.	.	H	α-helix	trans	-56.9	-38.3	175.5	0	0	0	0	0	112	E654 A662 K668 Y669 R670	E654-G666 WeakPolarHBondContact OE2-CA 3.41Å; E654-G666 PolarHBondContact OE2-N 2.93Å; A662-G666 PolarHBondContact O-N 2.96Å; G666-K668 PolarHBondContact O-N 2.82Å; G666-Y669 PolarHBondContact O-N 3.06Å; G666-Y669 VanDerWaalsContact O-N 3.13Å; G666-R670 WeakPolarHBondContact O-CB 3.47Å; G666-R670 VanDerWaalsContact O-CG 3.27Å; G666-R670 WeakPolarHBondContact O-CG 3.36Å; G666-R670 PolarHBondContact O-N 3.14Å
667	D	74.9	Confident	70.7	Confident	50 Å²	50	78 Å²	78	27%	0.267	42%	0.421	S	S	.	.	H	α-helix	trans	-62.3	-21.8	174.4	-74.5	-13.9	0	0	0	114.6	F663 S665 R670 R671	F663-D667 WeakPolarHBondContact CE1-OD2 3.26Å; F663-D667 PolarHBondContact O-N 2.81Å; S665-D667 PolarHBondContact O-N 3.29Å; D667-R670 IonicContact OD1-CZ 3.88Å; D667-R670 IonicContact OD1-NH1 3.91Å; D667-R670 PolarHBondContact OD1-NH1 3.38Å; D667-R671 WeakPolarHBondContact O-CG 3.35Å; D667-R671 PolarHBondContact O-N 3.21Å; D667-R671 PolarHBondContact O-NE 2.91Å; D667-R671 PolarHBondContact O-NH2 3.21Å
668	K	83.1	Confident	71.3	Confident	127 Å²	127	73.9 Å²	73.9	55%	0.552	40%	0.402	S	S	*	.	H	α-helix	trans	-75.2	-42.1	173.2	-169.6	-179.1	-178.5	179.5	0	110.8	S665 G666 K672	S665-K668 WeakPolarHBondContact O-CA 3.46Å; S665-K668 WeakPolarHBondContact O-CB 3.45Å; S665-K668 PolarHBondContact O-N 3.04Å; G666-K668 PolarHBondContact O-N 2.82Å; K668-K672 WeakPolarHBondContact O-CG 3.39Å; K668-K672 PolarHBondContact O-N 2.85Å
669	Y	80.2	Confident	72.8	Confident	50 Å²	50	76 Å²	76	20%	0.196	41%	0.407	C	S	.	.	H	α-helix	trans	-75.6	-38.3	177.3	-60	-77.3	0	0	0	112.1	V647 Q650 E654 S665 G666 R671 K672 L673	V647-Y669 HydrophobicContact CG1-CD1 4.25Å; Q650-Y669 HydrophobicContact CB-CD1 4.18Å; Q650-Y669 HydrophobicContact CB-CE1 4.04Å; E654-Y669 WeakPolarHBondContact OE1-CE2 3.31Å; E654-Y669 VanDerWaalsContact OE2-CD2 3.28Å; E654-Y669 WeakPolarHBondContact OE2-CD2 3.45Å; E654-Y669 WeakPolarHBondContact OE2-CE2 3.36Å; S665-Y669 WeakPolarHBondContact O-CD2 3.49Å; S665-Y669 PolarHBondContact O-N 2.88Å; G666-Y669 PolarHBondContact O-N 3.06Å; G666-Y669 VanDerWaalsContact O-N 3.13Å; Y669-R671 VanDerWaalsContact C-N 3.31Å; Y669-R671 PolarHBondContact O-N 3.22Å; Y669-K672 HydrophobicContact CD1-CD 4.33Å; Y669-K672 WeakPolarHBondContact O-CB 3.46Å; Y669-K672 PolarHBondContact O-N 3.24Å; Y669-L673 WeakPolarHBondContact O-CG 3.3Å; Y669-L673 PolarHBondContact O-N 3.32Å
670	R	79.6	Confident	74.3	Confident	108 Å²	108	72.6 Å²	72.6	41%	0.408	37%	0.373	S	S	.	.	H	α-helix	trans	-55.1	-43.7	172.1	-70.7	169.5	-170.2	132.8	4.2	112.3	L651 G666 D667 L673 A674	L651-R670 HydrophobicContact CD2-CG 4.06Å; G666-R670 WeakPolarHBondContact O-CB 3.47Å; G666-R670 VanDerWaalsContact O-CG 3.27Å; G666-R670 WeakPolarHBondContact O-CG 3.36Å; G666-R670 PolarHBondContact O-N 3.14Å; D667-R670 IonicContact OD1-CZ 3.88Å; D667-R670 IonicContact OD1-NH1 3.91Å; D667-R670 PolarHBondContact OD1-NH1 3.38Å; R670-L673 PolarHBondContact O-N 3.27Å; R670-A674 PolarHBondContact O-N 3.25Å
671	R	82	Confident	75.8	Confident	156 Å²	156	66.3 Å²	66.3	59%	0.589	33%	0.329	S	S	*	.	H	α-helix	trans	-63.4	-49.5	174	-81.8	176.1	-75.6	175.4	-6.5	112.2	D667 Y669 L673 A674 D675	D667-R671 WeakPolarHBondContact O-CG 3.35Å; D667-R671 PolarHBondContact O-N 3.21Å; D667-R671 PolarHBondContact O-NE 2.91Å; D667-R671 PolarHBondContact O-NH2 3.21Å; Y669-R671 VanDerWaalsContact C-N 3.31Å; Y669-R671 PolarHBondContact O-N 3.22Å; R671-L673 PolarHBondContact O-N 2.84Å; R671-A674 WeakPolarHBondContact O-CB 3.49Å; R671-A674 PolarHBondContact O-N 3.31Å; R671-D675 VanDerWaalsContact O-CG 3.24Å; R671-D675 PolarHBondContact O-N 3.43Å
672	K	85.6	Confident	77.5	Confident	83 Å²	83	65.8 Å²	65.8	36%	0.361	31%	0.31	S	S	.	.	H	α-helix	trans	-55.3	-37	174.3	-74.2	177.1	171.7	-174	0	113.3	V647 K668 Y669 L676	V647-K672 HydrophobicContact CG1-CB 3.91Å; V647-K672 HydrophobicContact CG1-CD 4.47Å; K668-K672 WeakPolarHBondContact O-CG 3.39Å; K668-K672 PolarHBondContact O-N 2.85Å; Y669-K672 HydrophobicContact CD1-CD 4.33Å; Y669-K672 WeakPolarHBondContact O-CB 3.46Å; Y669-K672 PolarHBondContact O-N 3.24Å; K672-L676 WeakPolarHBondContact O-CB 3.33Å; K672-L676 WeakPolarHBondContact O-CD1 3.39Å; K672-L676 VanDerWaalsContact O-CG 3.3Å; K672-L676 WeakPolarHBondContact O-CG 3.47Å; K672-L676 PolarHBondContact O-N 3.27Å
673	L	81.8	Confident	79.1	Confident	12 Å²	12	64.9 Å²	64.9	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-51.7	173.9	-70.7	176.5	0	0	0	110.6	L644 V647 R648 L651 Y669 R670 R671 D675 L676 E677	L644-L673 HydrophobicContact CG-CD2 4.36Å; V647-L673 HydrophobicContact CB-CD2 3.8Å; V647-L673 HydrophobicContact CB-CG 4.48Å; V647-L673 HydrophobicContact CG1-CD2 3.56Å; V647-L673 HydrophobicContact CG1-CG 3.69Å; R648-L673 HydrophobicContact CG-CD1 3.92Å; R648-L673 HydrophobicContact CG-CD2 3.58Å; R648-L673 HydrophobicContact CG-CG 4.43Å; L651-L673 HydrophobicContact CD2-CD1 3.79Å; Y669-L673 WeakPolarHBondContact O-CG 3.3Å; Y669-L673 PolarHBondContact O-N 3.32Å; R670-L673 PolarHBondContact O-N 3.27Å; R671-L673 PolarHBondContact O-N 2.84Å; L673-D675 VanDerWaalsContact C-N 3.27Å; L673-D675 PolarHBondContact O-N 3.49Å; L673-L676 PolarHBondContact O-N 2.99Å; L673-E677 WeakPolarHBondContact O-CB 3.29Å; L673-E677 WeakPolarHBondContact O-CG 3.29Å; L673-E677 PolarHBondContact O-N 2.92Å
674	A	79.8	Confident	80.4	Confident	41 Å²	41	58.6 Å²	58.6	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-54.6	-43.6	176.3	0	0	0	0	0	111.9	R670 R671 S678 Y755	R670-A674 PolarHBondContact O-N 3.25Å; R671-A674 WeakPolarHBondContact O-CB 3.49Å; R671-A674 PolarHBondContact O-N 3.31Å; A674-S678 WeakPolarHBondContact O-CB 3.49Å; A674-S678 PolarHBondContact O-N 2.91Å; A674-Y755 PolarHBondContact O-OH 3.29Å
675	D	84.1	Confident	81.8	Confident	91 Å²	91	48.2 Å²	48.2	49%	0.487	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-51.2	176.8	-62.1	-36.3	0	0	0	112.1	R671 L673 S678 Q679	R671-D675 VanDerWaalsContact O-CG 3.24Å; R671-D675 PolarHBondContact O-N 3.43Å; L673-D675 VanDerWaalsContact C-N 3.27Å; L673-D675 PolarHBondContact O-N 3.49Å; D675-S678 PolarHBondContact O-N 2.8Å; D675-S678 PolarHBondContact O-OG 3.19Å; D675-Q679 WeakPolarHBondContact O-CG 3.42Å; D675-Q679 PolarHBondContact O-N 3.42Å
676	L	86.4	Confident	82.9	Confident	21 Å²	21	49.1 Å²	49.1	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-40.2	-179.9	-72.7	166.8	0	0	0	112.5	V640 N643 L644 V647 K672 L673 S678 Q679 L680	V640-L676 HydrophobicContact CG1-CB 4.36Å; V640-L676 HydrophobicContact CG1-CD2 4.1Å; V640-L676 WeakPolarHBondContact CG1-O 3.45Å; N643-L676 HydrophobicContact CB-CD1 3.98Å; N643-L676 HydrophobicContact CB-CD2 3.99Å; L644-L676 HydrophobicContact CB-CB 4.31Å; L644-L676 HydrophobicContact CB-CD1 4.42Å; V647-L676 HydrophobicContact CG2-CD1 4.12Å; K672-L676 WeakPolarHBondContact O-CB 3.33Å; K672-L676 WeakPolarHBondContact O-CD1 3.39Å; K672-L676 VanDerWaalsContact O-CG 3.3Å; K672-L676 WeakPolarHBondContact O-CG 3.47Å; K672-L676 PolarHBondContact O-N 3.27Å; L673-L676 PolarHBondContact O-N 2.99Å; L676-S678 VanDerWaalsContact C-N 3.28Å; L676-S678 PolarHBondContact O-N 2.83Å; L676-Q679 WeakPolarHBondContact O-CB 3.37Å; L676-Q679 PolarHBondContact O-N 3.37Å; L676-L680 PolarHBondContact O-N 3Å
677	E	81.9	Confident	83.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-34.6	175.5	-67.9	172.9	158.3	0	0	110.6	L644 R648 L673 Q679 L680 V681 Y755 R758 Y795	L644-E677 HydrophobicContact CD1-CG 3.56Å; L644-E677 HydrophobicContact CG-CG 4.22Å; R648-E677 IonicContact CZ-OE1 3.69Å; R648-E677 IonicContact NE-OE1 3.02Å; R648-E677 IonicContact NH2-OE1 2.71Å; R648-E677 PolarHBondContact NH2-OE1 2.65Å; L673-E677 WeakPolarHBondContact O-CB 3.29Å; L673-E677 WeakPolarHBondContact O-CG 3.29Å; L673-E677 PolarHBondContact O-N 2.92Å; E677-Q679 VanDerWaalsContact C-N 3.34Å; E677-Q679 PolarHBondContact O-N 3.26Å; E677-L680 WeakPolarHBondContact O-CB 3.45Å; E677-L680 PolarHBondContact O-N 3.3Å; E677-L680 VanDerWaalsContact O-N 3.14Å; E677-V681 PolarHBondContact O-N 2.93Å; E677-Y755 HydrophobicContact CB-CD2 4.01Å; E677-Y755 HydrophobicContact CB-CE2 3.19Å; E677-Y755 HydrophobicContact CG-CE2 4.16Å; E677-Y755 WeakPolarHBondContact OE2-CE2 3.45Å; E677-R758 IonicContact OE1-NH1 3.32Å; E677-R758 IonicContact OE2-CZ 3.75Å; E677-R758 IonicContact OE2-NH1 3.79Å; E677-R758 PolarHBondContact OE2-NH1 2.98Å; E677-R758 IonicContact OE2-NH2 2.75Å; E677-R758 PolarHBondContact OE2-NH2 3.2Å; E677-Y795 HydrophobicContact CB-CD1 3.98Å; E677-Y795 HydrophobicContact CB-CE1 4.28Å; E677-Y795 HydrophobicContact CG-CD1 3.81Å; E677-Y795 HydrophobicContact CG-CE1 3.59Å
678	S	81.5	Confident	84.5	Confident	47 Å²	47	50.4 Å²	50.4	33%	0.329	25%	0.245	S	C	.	.	H	α-helix	trans	-68.9	-33.3	177.4	80.1	0	0	0	0	112.5	A674 D675 L676 L680 V681 L682 Y755	A674-S678 WeakPolarHBondContact O-CB 3.49Å; A674-S678 PolarHBondContact O-N 2.91Å; D675-S678 PolarHBondContact O-N 2.8Å; D675-S678 PolarHBondContact O-OG 3.19Å; L676-S678 VanDerWaalsContact C-N 3.28Å; L676-S678 PolarHBondContact O-N 2.83Å; S678-L680 VanDerWaalsContact C-N 3.33Å; S678-V681 PolarHBondContact O-N 3.18Å; S678-L682 PolarHBondContact O-N 3.13Å; S678-Y755 VanDerWaalsContact CA-OH 3.24Å; S678-Y755 WeakPolarHBondContact CA-OH 3.44Å; S678-Y755 VanDerWaalsContact CB-OH 3.3Å; S678-Y755 WeakPolarHBondContact CB-OH 3.44Å; S678-Y755 PolarHBondContact N-OH 2.79Å
679	Q	86.8	Confident	84.9	Confident	87 Å²	87	44.6 Å²	44.6	41%	0.407	22%	0.22	S	C	.	.	H	α-helix	trans	-66.3	-36.6	171.9	-65.4	169.9	29.4	0	0	110.8	V640 D675 L676 E677 L682 A683	V640-Q679 HydrophobicContact CG1-CB 4.11Å; D675-Q679 WeakPolarHBondContact O-CG 3.42Å; D675-Q679 PolarHBondContact O-N 3.42Å; L676-Q679 WeakPolarHBondContact O-CB 3.37Å; L676-Q679 PolarHBondContact O-N 3.37Å; E677-Q679 VanDerWaalsContact C-N 3.34Å; E677-Q679 PolarHBondContact O-N 3.26Å; Q679-L682 PolarHBondContact O-N 2.92Å; Q679-A683 WeakPolarHBondContact O-CB 3.3Å; Q679-A683 PolarHBondContact O-N 2.91Å
680	L	85.8	Confident	85.4	Confident	1 Å²	1	44 Å²	44	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-66.9	-40.4	173.7	-66	-175.9	0	0	0	112.5	I637 V640 K641 L644 L676 E677 S678 L682 A683 T684 Y795	I637-L680 HydrophobicContact CG2-CD2 4.06Å; V640-L680 HydrophobicContact CB-CD2 3.82Å; V640-L680 HydrophobicContact CB-CG 4.5Å; V640-L680 HydrophobicContact CG1-CD2 3.57Å; V640-L680 HydrophobicContact CG1-CG 3.71Å; K641-L680 HydrophobicContact CG-CD1 3.97Å; K641-L680 HydrophobicContact CG-CD2 3.97Å; L644-L680 HydrophobicContact CD1-CD1 3.48Å; L644-L680 VanDerWaalsContact CD1-CD1 3.48Å; L644-L680 HydrophobicContact CD1-CG 4.5Å; L676-L680 PolarHBondContact O-N 3Å; E677-L680 WeakPolarHBondContact O-CB 3.45Å; E677-L680 PolarHBondContact O-N 3.3Å; E677-L680 VanDerWaalsContact O-N 3.14Å; S678-L680 VanDerWaalsContact C-N 3.33Å; L680-L682 VanDerWaalsContact C-N 3.26Å; L680-L682 PolarHBondContact O-N 2.89Å; L680-A683 PolarHBondContact O-N 2.96Å; L680-T684 HydrophobicContact CB-CG2 4.08Å; L680-T684 HydrophobicContact CD2-CG2 4.05Å; L680-T684 VanDerWaalsContact O-CB 3.29Å; L680-T684 WeakPolarHBondContact O-CB 3.32Å; L680-T684 VanDerWaalsContact O-CG2 3.29Å; L680-T684 WeakPolarHBondContact O-CG2 3.27Å; L680-T684 PolarHBondContact O-N 3.1Å; L680-T684 PolarHBondContact O-OG1 3.46Å; L680-Y795 HydrophobicContact CB-CD2 4.27Å; L680-Y795 HydrophobicContact CB-CG 4.49Å; L680-Y795 HydrophobicContact CD1-CD2 3.78Å; L680-Y795 HydrophobicContact CD1-CE2 3.6Å; L680-Y795 HydrophobicContact CD1-CG 4.44Å
681	V	85.3	Confident	86	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-56	-41.5	173.8	171.5	0	0	0	0	111.6	V572 L581 E677 S678 P685 M752 Y755 Y795 H797	V572-V681 WeakPolarHBondContact CG2-O 3.48Å; L581-V681 HydrophobicContact CD1-CG1 3.99Å; L581-V681 HydrophobicContact CD2-CG1 4.29Å; E677-V681 PolarHBondContact O-N 2.93Å; S678-V681 PolarHBondContact O-N 3.18Å; V681-P685 WeakPolarHBondContact O-CD 3.45Å; V681-M752 HydrophobicContact CG1-CE 4.14Å; V681-M752 HydrophobicContact CG2-CE 4.49Å; V681-Y755 HydrophobicContact CG2-CD1 3.55Å; V681-Y755 HydrophobicContact CG2-CE1 3.49Å; V681-Y755 VanDerWaalsContact CG2-CE1 3.49Å; V681-Y755 HydrophobicContact CG2-CG 4.48Å; V681-Y795 WeakPolarHBondContact CG2-O 3.2Å; V681-H797 PolarHBondContact O-NE2 3.29Å
682	L	88.3	Confident	86.4	Confident	53 Å²	53	31.5 Å²	31.5	28%	0.277	17%	0.171	S	C	.	.	H	α-helix	trans	-74.3	-39.9	177.4	-65.3	173.7	0	0	0	113.1	V572 R579 L581 S678 Q679 L680	V572-L682 HydrophobicContact CG1-CD2 4.48Å; R579-L682 HydrophobicContact CB-CB 4.41Å; R579-L682 WeakPolarHBondContact CD-O 3.39Å; R579-L682 PolarHBondContact NH1-O 2.87Å; L581-L682 HydrophobicContact CB-CD2 3.89Å; S678-L682 PolarHBondContact O-N 3.13Å; Q679-L682 PolarHBondContact O-N 2.92Å; L680-L682 VanDerWaalsContact C-N 3.26Å; L680-L682 PolarHBondContact O-N 2.89Å
683	A	86.6	Confident	86.7	Confident	5 Å²	5	28.2 Å²	28.2	4%	0.041	16%	0.157	C	C	.	.	H	α-helix	trans	-91.7	-25	-168.4	0	0	0	0	0	115.2	R579 A635 I637 Q679 L680 N686	R579-A683 PolarHBondContact NH1-O 3.22Å; A635-A683 HydrophobicContact CB-CB 3.8Å; I637-A683 WeakPolarHBondContact CD1-O 3.44Å; I637-A683 HydrophobicContact CG1-CB 4.04Å; Q679-A683 WeakPolarHBondContact O-CB 3.3Å; Q679-A683 PolarHBondContact O-N 2.91Å; L680-A683 PolarHBondContact O-N 2.96Å; A683-N686 PolarHBondContact O-ND2 3.4Å
684	T	84.6	Confident	87.1	Confident	15 Å²	15	33.4 Å²	33.4	9%	0.092	18%	0.179	C	C	.	.	S	Bend	trans	-79	-34.4	-173.2	57	0	0	0	0	115.1	I637 L680 N686 F799	I637-T684 HydrophobicContact CG2-CG2 3.93Å; L680-T684 HydrophobicContact CB-CG2 4.08Å; L680-T684 HydrophobicContact CD2-CG2 4.05Å; L680-T684 VanDerWaalsContact O-CB 3.29Å; L680-T684 WeakPolarHBondContact O-CB 3.32Å; L680-T684 VanDerWaalsContact O-CG2 3.29Å; L680-T684 WeakPolarHBondContact O-CG2 3.27Å; L680-T684 PolarHBondContact O-N 3.1Å; L680-T684 PolarHBondContact O-OG1 3.46Å; T684-N686 PolarHBondContact O-N 3.02Å; T684-N686 PolarHBondContact O-ND2 3.1Å; T684-F799 VanDerWaalsContact CB-CZ 3.49Å; T684-F799 WeakPolarHBondContact O-CE1 3.39Å; T684-F799 WeakPolarHBondContact OG1-CZ 3.45Å
685	P	87.2	Confident	87.3	Confident	1 Å²	1	35 Å²	35	1%	0.006	19%	0.193	C	C	.	.			trans	-63.9	128	168.4	-22.5	36.7	0	0	0	110.1	V572 R579 V681 F703 L704 H797	V572-P685 HydrophobicContact CG2-CB 4.39Å; V572-P685 HydrophobicContact CG2-CG 3.91Å; R579-P685 PolarHBondContact NH1-O 3.09Å; V681-P685 WeakPolarHBondContact O-CD 3.45Å; P685-F703 HydrophobicContact CB-CB 3.89Å; P685-F703 WeakPolarHBondContact O-CB 3.42Å; P685-L704 WeakPolarHBondContact CA-O 3.44Å; P685-H797 VanDerWaalsContact CG-CD2 3.45Å; P685-H797 WeakPolarHBondContact CG-CD2 3.24Å; P685-H797 WeakPolarHBondContact CG-NE2 3.22Å
686	N	85.9	Confident	87.5	Confident	78 Å²	78	34.7 Å²	34.7	42%	0.417	19%	0.191	S	C	.	.			trans	-140.2	-0.2	-179.6	-73.5	-74.5	0	0	0	113.5	R579 A683 T684 V688 L704	R579-N686 PolarHBondContact NH1-OD1 3.31Å; R579-N686 VanDerWaalsContact NH1-OD1 3.11Å; R579-N686 PolarHBondContact NH2-OD1 3.04Å; A683-N686 PolarHBondContact O-ND2 3.4Å; T684-N686 PolarHBondContact O-N 3.02Å; T684-N686 PolarHBondContact O-ND2 3.1Å; N686-V688 PolarHBondContact O-N 3.38Å; N686-L704 PolarHBondContact N-O 2.95Å
687	L	88.3	Confident	87.5	Confident	44 Å²	44	40.4 Å²	40.4	23%	0.23	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	115.8	175.6	-176.9	63.6	0	0	0	110.2	F703 L704 S706 D707 R710	L687-F703 CarbonylContact O-C 3.53Å; L687-F703 WeakPolarHBondContact O-CA 3.44Å; L687-L704 WeakPolarHBondContact CB-O 3.47Å; L687-L704 PolarHBondContact N-O 2.92Å; L687-L704 VanDerWaalsContact N-O 3.07Å; L687-L704 PolarHBondContact O-N 3.39Å; L687-S706 WeakPolarHBondContact CD2-O 3.4Å; L687-D707 HydrophobicContact CD2-CB 4.4Å; L687-R710 HydrophobicContact CD2-CB 3.81Å
688	V	89.7	Confident	87.8	Confident	36 Å²	36	47 Å²	47	22%	0.218	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	136.9	-172.5	-179	0	0	0	0	112	L629 N686 R690 T701 F702 F703	L629-V688 HydrophobicContact CD1-CG1 4.39Å; L629-V688 HydrophobicContact CD1-CG2 3.66Å; N686-V688 PolarHBondContact O-N 3.38Å; V688-R690 HydrophobicContact CG1-CG 3.96Å; V688-T701 HydrophobicContact CG1-CG2 3.98Å; V688-F702 WeakPolarHBondContact CA-O 3.39Å; V688-F703 HydrophobicContact CG2-CD1 4.13Å; V688-F703 HydrophobicContact CG2-CE1 4.03Å
689	L	91.1	Very high	88.2	Confident	4 Å²	4	48 Å²	48	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.9	163.1	173.7	65.1	0	0	0	108.7	I619 L691 F702 L704 W713 I714	I619-L689 HydrophobicContact CG2-CD1 4.2Å; L689-L691 HydrophobicContact CD1-CD2 4.34Å; L689-L691 HydrophobicContact CG-CD2 4.36Å; L689-F702 HydrophobicContact CB-CB 4.44Å; L689-F702 PolarHBondContact N-O 3.44Å; L689-F702 PolarHBondContact O-N 2.89Å; L689-L704 HydrophobicContact CB-CD1 3.4Å; L689-L704 HydrophobicContact CD2-CD1 4.06Å; L689-L704 HydrophobicContact CG-CD1 4.38Å; L689-W713 HydrophobicContact CD2-CB 4.29Å; L689-I714 HydrophobicContact CD1-CD1 4.06Å; L689-I714 HydrophobicContact CD1-CG1 3.87Å
690	R	91.3	Very high	88.5	Confident	37 Å²	37	45 Å²	45	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.7	177	-63.9	-173.2	-63.7	160.1	-1	110.6	Y620 E622 V688 T699 I700 T701	Y620-R690 HydrophobicContact CD2-CB 3.95Å; Y620-R690 PolarHBondContact N-O 3.1Å; E622-R690 PolarHBondContact O-NH2 2.96Å; V688-R690 HydrophobicContact CG1-CG 3.96Å; R690-T699 HydrophobicContact CB-CG2 4Å; R690-T699 HydrophobicContact CG-CG2 4.44Å; R690-I700 WeakPolarHBondContact CA-O 3.4Å; R690-T701 HydrophobicContact CG-CG2 4.33Å
691	L	93	Very high	88.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123	171.9	-59.2	-171.3	0	0	0	109.7	I591 V617 S618 I619 L689 I700 F702 I717	I591-L691 HydrophobicContact CD1-CD1 3.8Å; V617-L691 HydrophobicContact CG1-CD2 4.36Å; S618-L691 CarbonylContact O-C 3.49Å; S618-L691 VanDerWaalsContact O-CA 3.31Å; S618-L691 WeakPolarHBondContact O-CA 3.19Å; I619-L691 HydrophobicContact CB-CD2 4.48Å; I619-L691 HydrophobicContact CG1-CD2 3.92Å; L689-L691 HydrophobicContact CD1-CD2 4.34Å; L689-L691 HydrophobicContact CG-CD2 4.36Å; L691-I700 PolarHBondContact N-O 2.79Å; L691-I700 PolarHBondContact O-N 3.13Å; L691-F702 HydrophobicContact CD1-CE2 3.9Å; L691-F702 HydrophobicContact CG-CD2 4.46Å; L691-F702 HydrophobicContact CG-CE2 4.1Å; L691-I717 HydrophobicContact CD1-CD1 4.13Å; L691-I717 HydrophobicContact CD2-CD1 4.2Å
692	G	90.8	Very high	89.2	Confident	2 Å²	2	45.7 Å²	45.7	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	146.5	171	0	0	0	0	0	111.7	V617 S618	V617-G692 CarbonylContact C-O 3.56Å; V617-G692 WeakPolarHBondContact CA-O 3.36Å; S618-G692 PolarHBondContact N-O 2.86Å; S618-G692 PolarHBondContact O-N 3.31Å; S618-G692 VanDerWaalsContact OG-CA 3.24Å; S618-G692 WeakPolarHBondContact OG-CA 3.4Å; S618-G692 PolarHBondContact OG-O 3.38Å
693	N	91.7	Very high	89.3	Confident	14 Å²	14	43.6 Å²	43.6	8%	0.075	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	108.3	169	179.1	-15.1	0	0	0	109.2	I612 A695 N696 N697 K698	I612-N693 HydrophobicContact CD1-CB 3.95Å; I612-N693 HydrophobicContact CG1-CB 4.13Å; I612-N693 HydrophobicContact CG2-CB 4.02Å; N693-A695 PolarHBondContact O-N 2.94Å; N693-A695 WeakPolarHBondContact OD1-CB 3.24Å; N693-A695 PolarHBondContact OD1-N 2.94Å; N693-N696 WeakPolarHBondContact CB-OD1 3.46Å; N693-N696 PolarHBondContact ND2-ND2 2.83Å; N693-N696 PolarHBondContact O-N 2.88Å; N693-N696 PolarHBondContact O-OD1 3.2Å; N693-N697 VanDerWaalsContact O-CA 3.26Å; N693-N697 WeakPolarHBondContact O-CA 3.27Å; N693-N697 PolarHBondContact O-N 3.4Å; N693-K698 PolarHBondContact N-O 3.37Å
694	K	88.6	Confident	89.5	Confident	122 Å²	122	43.8 Å²	43.8	53%	0.53	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.4	179.7	-67.4	176.9	-176.2	174.5	0	113.9	D616 N696	D616-K694 HydrophobicContact CB-CB 4.38Å; D616-K694 WeakPolarHBondContact O-CB 3.04Å; D616-K694 WeakPolarHBondContact O-CG 3.4Å; D616-K694 PolarHBondContact O-N 3.08Å; K694-N696 VanDerWaalsContact C-N 3.28Å; K694-N696 PolarHBondContact O-N 2.97Å
695	A	85.4	Confident	89.5	Confident	75 Å²	75	43.8 Å²	43.8	62%	0.62	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.3	-176.2	0	0	0	0	0	113.3	D616 N693	D616-A695 HydrophobicContact CB-CB 4.49Å; N693-A695 PolarHBondContact O-N 2.94Å; N693-A695 WeakPolarHBondContact OD1-CB 3.24Å; N693-A695 PolarHBondContact OD1-N 2.94Å
696	N	87.8	Confident	89.5	Confident	83 Å²	83	44 Å²	44	44%	0.444	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.5	8.7	177.9	64.8	24.3	0	0	0	114.5	N693 K694 K698	N693-N696 WeakPolarHBondContact CB-OD1 3.46Å; N693-N696 PolarHBondContact ND2-ND2 2.83Å; N693-N696 PolarHBondContact O-N 2.88Å; N693-N696 PolarHBondContact O-OD1 3.2Å; K694-N696 VanDerWaalsContact C-N 3.28Å; K694-N696 PolarHBondContact O-N 2.97Å; N696-K698 PolarHBondContact O-N 3.44Å; N696-K698 VanDerWaalsContact OD1-CB 3.28Å; N696-K698 WeakPolarHBondContact OD1-CB 3.32Å; N696-K698 WeakPolarHBondContact OD1-CG 3.29Å; N696-K698 PolarHBondContact OD1-N 2.77Å
697	N	86.6	Confident	89.5	Confident	142 Å²	142	42.4 Å²	42.4	76%	0.759	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	19.9	-176.5	-66.6	-27.2	0	0	0	115.9	N693	N693-N697 VanDerWaalsContact O-CA 3.26Å; N693-N697 WeakPolarHBondContact O-CA 3.27Å; N693-N697 PolarHBondContact O-N 3.4Å
698	K	88.6	Confident	89.6	Confident	138 Å²	138	40.9 Å²	40.9	60%	0.6	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.3	174.6	-63.4	-173	177.4	-172	0	110.4	N693 N696	N693-K698 PolarHBondContact N-O 3.37Å; N696-K698 PolarHBondContact O-N 3.44Å; N696-K698 VanDerWaalsContact OD1-CB 3.28Å; N696-K698 WeakPolarHBondContact OD1-CB 3.32Å; N696-K698 WeakPolarHBondContact OD1-CG 3.29Å; N696-K698 PolarHBondContact OD1-N 2.77Å
699	T	90.3	Very high	89.5	Confident	68 Å²	68	41.1 Å²	41.1	42%	0.417	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.2	169.6	-61	0	0	0	0	109.4	Y620 R690	Y620-T699 HydrophobicContact CD2-CG2 4.28Å; Y620-T699 HydrophobicContact CE2-CG2 4.11Å; R690-T699 HydrophobicContact CB-CG2 4Å; R690-T699 HydrophobicContact CG-CG2 4.44Å
700	I	92.3	Very high	89.4	Confident	25 Å²	25	44 Å²	44	13%	0.128	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.1	179.9	-50.1	-172.8	0	0	0	107.8	E573 W610 I612 R690 L691 F702	E573-I700 HydrophobicContact CG-CG2 4.27Å; W610-I700 HydrophobicContact CD2-CD1 3.67Å; W610-I700 HydrophobicContact CE3-CD1 3.95Å; W610-I700 HydrophobicContact CG-CD1 4.33Å; W610-I700 HydrophobicContact CH2-CD1 3.82Å; W610-I700 HydrophobicContact CZ2-CD1 3.49Å; W610-I700 VanDerWaalsContact CZ2-CD1 3.49Å; W610-I700 HydrophobicContact CZ2-CG2 3.82Å; W610-I700 HydrophobicContact CZ3-CD1 4.03Å; I612-I700 HydrophobicContact CD1-CD1 4.06Å; R690-I700 WeakPolarHBondContact CA-O 3.4Å; L691-I700 PolarHBondContact N-O 2.79Å; L691-I700 PolarHBondContact O-N 3.13Å; I700-F702 HydrophobicContact CG2-CE1 4.48Å; I700-F702 HydrophobicContact CG2-CE2 4.01Å; I700-F702 HydrophobicContact CG2-CZ 3.97Å
701	T	92.4	Very high	89.3	Confident	17 Å²	17	44.3 Å²	44.3	10%	0.104	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.7	-175.7	-57.2	0	0	0	0	110.1	L574 L629 V688 R690	L574-T701 PolarHBondContact N-O 3.21Å; L629-T701 HydrophobicContact CD1-CG2 4.46Å; L629-T701 HydrophobicContact CD2-CG2 4.03Å; V688-T701 HydrophobicContact CG1-CG2 3.98Å; R690-T701 HydrophobicContact CG-CG2 4.33Å
702	F	92.6	Very high	89.1	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	153.3	176.1	-61.5	-78.6	0	0	0	111.5	I571 V572 E573 L584 W610 V688 L689 L691 I700 L704	I571-F702 HydrophobicContact CB-CD1 4.41Å; I571-F702 HydrophobicContact CD1-CB 3.7Å; I571-F702 HydrophobicContact CD1-CD1 3.7Å; I571-F702 HydrophobicContact CD1-CD2 4.46Å; I571-F702 HydrophobicContact CD1-CE1 4.37Å; I571-F702 HydrophobicContact CD1-CG 3.72Å; I571-F702 HydrophobicContact CG1-CB 4.07Å; I571-F702 HydrophobicContact CG1-CD1 3.87Å; I571-F702 HydrophobicContact CG1-CG 4.24Å; I571-F702 HydrophobicContact CG2-CD1 3.67Å; I571-F702 HydrophobicContact CG2-CE1 3.71Å; V572-F702 CarbonylContact O-C 3.49Å; V572-F702 VanDerWaalsContact O-CA 3.26Å; V572-F702 WeakPolarHBondContact O-CA 3.4Å; E573-F702 HydrophobicContact CB-CD1 4.21Å; E573-F702 HydrophobicContact CB-CE1 4.24Å; E573-F702 HydrophobicContact CG-CE1 4.29Å; L584-F702 HydrophobicContact CD1-CE1 4.39Å; L584-F702 HydrophobicContact CD1-CZ 3.91Å; L584-F702 HydrophobicContact CD2-CE1 4.38Å; L584-F702 HydrophobicContact CD2-CE2 4.45Å; L584-F702 HydrophobicContact CD2-CZ 4.08Å; W610-F702 HydrophobicContact CH2-CE2 4.45Å; W610-F702 AromaticContact CH2-CZ 3.78Å; W610-F702 HydrophobicContact CH2-CZ 3.78Å; W610-F702 HydrophobicContact CZ2-CE1 4.32Å; W610-F702 AromaticContact CZ2-CZ 3.63Å; W610-F702 HydrophobicContact CZ2-CZ 3.63Å; V688-F702 WeakPolarHBondContact CA-O 3.39Å; L689-F702 HydrophobicContact CB-CB 4.44Å; L689-F702 PolarHBondContact N-O 3.44Å; L689-F702 PolarHBondContact O-N 2.89Å; L691-F702 HydrophobicContact CD1-CE2 3.9Å; L691-F702 HydrophobicContact CG-CD2 4.46Å; L691-F702 HydrophobicContact CG-CE2 4.1Å; I700-F702 HydrophobicContact CG2-CE1 4.48Å; I700-F702 HydrophobicContact CG2-CE2 4.01Å; I700-F702 HydrophobicContact CG2-CZ 3.97Å; F702-L704 HydrophobicContact CB-CD1 4.32Å
703	F	90.8	Very high	89.2	Confident	9 Å²	9	47 Å²	47	4%	0.039	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.9	165.1	-54.6	-79.9	0	0	0	110.1	V572 L574 R579 L629 P685 L687 V688	V572-F703 HydrophobicContact CB-CB 4.36Å; V572-F703 HydrophobicContact CG1-CD2 4.12Å; V572-F703 PolarHBondContact O-N 3.22Å; L574-F703 HydrophobicContact CB-CE2 3.91Å; L574-F703 HydrophobicContact CD1-CE2 4.25Å; L574-F703 HydrophobicContact CD2-CE2 4.47Å; L574-F703 HydrophobicContact CD2-CZ 4.33Å; L574-F703 HydrophobicContact CG-CE2 4.43Å; R579-F703 HydrophobicContact CG-CD2 4.37Å; R579-F703 HydrophobicContact CG-CE2 4.03Å; L629-F703 HydrophobicContact CD1-CE1 4.05Å; L629-F703 HydrophobicContact CD1-CZ 4.32Å; P685-F703 HydrophobicContact CB-CB 3.89Å; P685-F703 WeakPolarHBondContact O-CB 3.42Å; L687-F703 CarbonylContact O-C 3.53Å; L687-F703 WeakPolarHBondContact O-CA 3.44Å; V688-F703 HydrophobicContact CG2-CD1 4.13Å; V688-F703 HydrophobicContact CG2-CE1 4.03Å
704	L	90.1	Very high	89.2	Confident	9 Å²	9	46.6 Å²	46.6	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	165.8	175.6	-60.4	95.8	0	0	0	110.4	I571 P685 N686 L687 L689 F702 E709	I571-L704 HydrophobicContact CD1-CD1 4.26Å; I571-L704 HydrophobicContact CD1-CD2 4.12Å; I571-L704 HydrophobicContact CD1-CG 3.97Å; I571-L704 HydrophobicContact CG1-CG 4.38Å; P685-L704 WeakPolarHBondContact CA-O 3.44Å; N686-L704 PolarHBondContact N-O 2.95Å; L687-L704 WeakPolarHBondContact CB-O 3.47Å; L687-L704 PolarHBondContact N-O 2.92Å; L687-L704 VanDerWaalsContact N-O 3.07Å; L687-L704 PolarHBondContact O-N 3.39Å; L689-L704 HydrophobicContact CB-CD1 3.4Å; L689-L704 HydrophobicContact CD2-CD1 4.06Å; L689-L704 HydrophobicContact CG-CD1 4.38Å; F702-L704 HydrophobicContact CB-CD1 4.32Å; L704-E709 HydrophobicContact CB-CB 4.47Å; L704-E709 HydrophobicContact CD2-CB 3.75Å
705	S	86.2	Confident	89.2	Confident	15 Å²	15	43.8 Å²	43.8	11%	0.105	24%	0.235	C	C	.	.	S	Bend	trans	-88.5	-25.3	-178.5	69.2	0	0	0	0	113.4	E709 Y798	S705-E709 WeakPolarHBondContact CA-OE2 3.14Å; S705-E709 WeakPolarHBondContact CB-OE2 3.3Å; S705-E709 PolarHBondContact N-OE2 3.06Å; S705-E709 VanDerWaalsContact OG-CD 3.25Å; S705-E709 PolarHBondContact OG-OE1 2.89Å; S705-E709 PolarHBondContact OG-OE2 3.14Å; S705-Y798 CarbonylContact C-O 3.58Å; S705-Y798 WeakPolarHBondContact CB-O 3.42Å; S705-Y798 PolarHBondContact OG-N 2.91Å; S705-Y798 PolarHBondContact OG-O 2.76Å
706	S	87.3	Confident	89.5	Confident	5 Å²	5	41.3 Å²	41.3	4%	0.035	21%	0.213	C	C	.	.			trans	-149.4	150.7	-169.5	59.8	0	0	0	0	114.6	L687 F708 E709 R710 R830	L687-S706 WeakPolarHBondContact CD2-O 3.4Å; S706-F708 PolarHBondContact O-N 2.73Å; S706-E709 PolarHBondContact N-OE2 3.21Å; S706-E709 PolarHBondContact O-N 3.25Å; S706-E709 VanDerWaalsContact O-N 3.16Å; S706-E709 WeakPolarHBondContact OG-CG 3.31Å; S706-E709 PolarHBondContact OG-N 2.98Å; S706-E709 PolarHBondContact OG-OE2 3.28Å; S706-R710 PolarHBondContact O-N 2.77Å; S706-R710 VanDerWaalsContact O-N 3.14Å; S706-R830 PolarHBondContact OG-NH2 2.73Å
707	D	85.6	Confident	89.7	Confident	45 Å²	45	37.3 Å²	37.3	24%	0.241	19%	0.191	C	C	.	.	H	α-helix	trans	-59.6	-34.8	172.3	-65.4	-66.3	0	0	0	112.1	L687 E709 R710 T711 R800	L687-D707 HydrophobicContact CD2-CB 4.4Å; D707-E709 VanDerWaalsContact C-N 3.32Å; D707-E709 PolarHBondContact O-N 3.05Å; D707-R710 PolarHBondContact O-N 2.62Å; D707-R710 IonicContact OD1-CZ 3.24Å; D707-R710 IonicContact OD1-NE 2.73Å; D707-R710 IonicContact OD1-NH2 2.67Å; D707-R710 PolarHBondContact OD1-NH2 2.64Å; D707-T711 VanDerWaalsContact O-CB 3.32Å; D707-T711 WeakPolarHBondContact O-CB 3.37Å; D707-T711 PolarHBondContact O-N 2.78Å; D707-T711 PolarHBondContact O-OG1 3.16Å; D707-R800 IonicContact OD2-CZ 3.71Å; D707-R800 IonicContact OD2-NH1 3.73Å; D707-R800 PolarHBondContact OD2-NH1 2.96Å; D707-R800 IonicContact OD2-NH2 2.69Å; D707-R800 PolarHBondContact OD2-NH2 3.07Å
708	F	88.8	Confident	89.8	Confident	13 Å²	13	33.9 Å²	33.9	6%	0.057	17%	0.172	C	C	.	.	H	α-helix	trans	-54.3	-48.9	174.6	168.2	-99.2	0	0	0	111.2	S706 Q712 L832 L842 K845	S706-F708 PolarHBondContact O-N 2.73Å; F708-Q712 HydrophobicContact CD1-CG 4.5Å; F708-Q712 HydrophobicContact CD2-CG 3.98Å; F708-Q712 HydrophobicContact CE1-CG 4.16Å; F708-Q712 HydrophobicContact CE2-CG 3.57Å; F708-Q712 HydrophobicContact CG-CG 4.42Å; F708-Q712 HydrophobicContact CZ-CG 3.67Å; F708-Q712 WeakPolarHBondContact O-CB 3.24Å; F708-Q712 WeakPolarHBondContact O-CG 3.38Å; F708-Q712 PolarHBondContact O-N 3.24Å; F708-L832 HydrophobicContact CB-CD1 3.66Å; F708-L832 HydrophobicContact CD2-CD1 4.16Å; F708-L832 HydrophobicContact CD2-CD2 3.98Å; F708-L832 HydrophobicContact CE2-CD2 4.29Å; F708-L832 HydrophobicContact CG-CD1 3.96Å; F708-L832 HydrophobicContact CG-CD2 4.33Å; F708-L842 HydrophobicContact CD2-CD2 3.86Å; F708-L842 HydrophobicContact CE2-CD2 3.54Å; F708-K845 HydrophobicContact CE1-CD 4.47Å; F708-K845 HydrophobicContact CE2-CD 4.2Å; F708-K845 HydrophobicContact CZ-CD 3.76Å
709	E	88.1	Confident	89.7	Confident	40 Å²	40	29.5 Å²	29.5	19%	0.187	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-44	177	-68.4	160.4	148.2	0	0	112	L704 S705 S706 D707 Q712 W713	L704-E709 HydrophobicContact CB-CB 4.47Å; L704-E709 HydrophobicContact CD2-CB 3.75Å; S705-E709 WeakPolarHBondContact CA-OE2 3.14Å; S705-E709 WeakPolarHBondContact CB-OE2 3.3Å; S705-E709 PolarHBondContact N-OE2 3.06Å; S705-E709 VanDerWaalsContact OG-CD 3.25Å; S705-E709 PolarHBondContact OG-OE1 2.89Å; S705-E709 PolarHBondContact OG-OE2 3.14Å; S706-E709 PolarHBondContact N-OE2 3.21Å; S706-E709 PolarHBondContact O-N 3.25Å; S706-E709 VanDerWaalsContact O-N 3.16Å; S706-E709 WeakPolarHBondContact OG-CG 3.31Å; S706-E709 PolarHBondContact OG-N 2.98Å; S706-E709 PolarHBondContact OG-OE2 3.28Å; D707-E709 VanDerWaalsContact C-N 3.32Å; D707-E709 PolarHBondContact O-N 3.05Å; E709-Q712 PolarHBondContact O-N 3.47Å; E709-W713 WeakPolarHBondContact O-CB 3.37Å; E709-W713 VanDerWaalsContact O-CD1 3.27Å; E709-W713 PolarHBondContact O-N 3.36Å
710	R	89.7	Confident	89.4	Confident	66 Å²	66	27.2 Å²	27.2	25%	0.249	15%	0.145	C	C	.	.	H	α-helix	trans	-59.2	-53.5	179.3	177.9	172.8	63.4	138.9	-6.2	111	L687 S706 D707 Q712 W713 I714	L687-R710 HydrophobicContact CD2-CB 3.81Å; S706-R710 PolarHBondContact O-N 2.77Å; S706-R710 VanDerWaalsContact O-N 3.14Å; D707-R710 PolarHBondContact O-N 2.62Å; D707-R710 IonicContact OD1-CZ 3.24Å; D707-R710 IonicContact OD1-NE 2.73Å; D707-R710 IonicContact OD1-NH2 2.67Å; D707-R710 PolarHBondContact OD1-NH2 2.64Å; R710-Q712 VanDerWaalsContact C-N 3.35Å; R710-Q712 PolarHBondContact O-N 2.99Å; R710-W713 PolarHBondContact O-N 3.12Å; R710-I714 HydrophobicContact CG-CD1 3.75Å; R710-I714 WeakPolarHBondContact O-CB 3.31Å; R710-I714 VanDerWaalsContact O-CG1 3.25Å; R710-I714 WeakPolarHBondContact O-CG1 3.34Å; R710-I714 PolarHBondContact O-N 2.71Å
711	T	88.9	Confident	88.9	Confident	42 Å²	42	28.8 Å²	28.8	26%	0.258	15%	0.15	S	C	.	.	H	α-helix	trans	-57.6	-47.6	176.8	-59.8	0	0	0	0	110.8	D707 W713 I714 D715	D707-T711 VanDerWaalsContact O-CB 3.32Å; D707-T711 WeakPolarHBondContact O-CB 3.37Å; D707-T711 PolarHBondContact O-N 2.78Å; D707-T711 PolarHBondContact O-OG1 3.16Å; T711-W713 PolarHBondContact O-N 3.36Å; T711-I714 PolarHBondContact O-N 2.77Å; T711-D715 VanDerWaalsContact CG2-OD2 3.31Å; T711-D715 WeakPolarHBondContact CG2-OD2 3.42Å; T711-D715 WeakPolarHBondContact O-CB 3.46Å; T711-D715 PolarHBondContact O-N 3.48Å
712	Q	89.6	Confident	88	Confident	56 Å²	56	35.4 Å²	35.4	26%	0.262	18%	0.18	S	C	.	.	H	α-helix	trans	-60.6	-41.4	178.2	-80.1	-80.9	-68.2	0	0	114	F708 E709 R710 S716	F708-Q712 HydrophobicContact CD1-CG 4.5Å; F708-Q712 HydrophobicContact CD2-CG 3.98Å; F708-Q712 HydrophobicContact CE1-CG 4.16Å; F708-Q712 HydrophobicContact CE2-CG 3.57Å; F708-Q712 HydrophobicContact CG-CG 4.42Å; F708-Q712 HydrophobicContact CZ-CG 3.67Å; F708-Q712 WeakPolarHBondContact O-CB 3.24Å; F708-Q712 WeakPolarHBondContact O-CG 3.38Å; F708-Q712 PolarHBondContact O-N 3.24Å; E709-Q712 PolarHBondContact O-N 3.47Å; R710-Q712 VanDerWaalsContact C-N 3.35Å; R710-Q712 PolarHBondContact O-N 2.99Å; Q712-S716 VanDerWaalsContact O-CB 3.28Å; Q712-S716 WeakPolarHBondContact O-CB 3.46Å; Q712-S716 PolarHBondContact O-N 2.94Å; Q712-S716 PolarHBondContact O-OG 2.74Å
713	W	92.3	Very high	86.7	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.015	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-44.2	175.5	-88.8	104.5	0	0	0	111.4	R567 S569 L584 L586 I591 L689 E709 R710 T711 S716 I717	R567-W713 HydrophobicContact CB-CH2 4.48Å; R567-W713 HydrophobicContact CG-CH2 4.47Å; R567-W713 HydrophobicContact CG-CZ2 4.33Å; S569-W713 WeakPolarHBondContact OG-CZ2 3.42Å; S569-W713 PolarHBondContact OG-NE1 3.42Å; L584-W713 HydrophobicContact CB-CH2 3.86Å; L584-W713 HydrophobicContact CB-CZ2 4.18Å; L584-W713 HydrophobicContact CD2-CD2 4.3Å; L584-W713 HydrophobicContact CD2-CE3 3.95Å; L584-W713 HydrophobicContact CD2-CH2 3.64Å; L584-W713 HydrophobicContact CD2-CZ2 3.99Å; L584-W713 HydrophobicContact CD2-CZ3 3.58Å; L584-W713 HydrophobicContact CG-CH2 3.57Å; L584-W713 HydrophobicContact CG-CZ2 4.23Å; L584-W713 HydrophobicContact CG-CZ3 3.77Å; L586-W713 HydrophobicContact CB-CH2 4.34Å; L586-W713 HydrophobicContact CB-CZ3 3.82Å; L586-W713 HydrophobicContact CD2-CZ3 4.41Å; I591-W713 HydrophobicContact CD1-CZ3 4.12Å; L689-W713 HydrophobicContact CD2-CB 4.29Å; E709-W713 WeakPolarHBondContact O-CB 3.37Å; E709-W713 VanDerWaalsContact O-CD1 3.27Å; E709-W713 PolarHBondContact O-N 3.36Å; R710-W713 PolarHBondContact O-N 3.12Å; T711-W713 PolarHBondContact O-N 3.36Å; W713-S716 PolarHBondContact O-N 3.38Å; W713-I717 HydrophobicContact CE3-CD1 4.41Å; W713-I717 WeakPolarHBondContact O-CD1 3.41Å; W713-I717 VanDerWaalsContact O-CG1 3.25Å; W713-I717 WeakPolarHBondContact O-CG1 3.27Å; W713-I717 PolarHBondContact O-N 3.22Å
714	I	91	Very high	85.1	Confident	5 Å²	5	43 Å²	43	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-54.6	176.3	-69.5	168.1	0	0	0	110.9	I619 E621 L689 R710 T711 S716 I717 L718	I619-I714 HydrophobicContact CD1-CB 4.44Å; I619-I714 HydrophobicContact CD1-CG1 4.43Å; I619-I714 HydrophobicContact CD1-CG2 4.08Å; I619-I714 HydrophobicContact CG2-CD1 4.44Å; I619-I714 HydrophobicContact CG2-CG1 4.07Å; E621-I714 HydrophobicContact CG-CD1 4.29Å; E621-I714 WeakPolarHBondContact OE1-CG2 3.45Å; L689-I714 HydrophobicContact CD1-CD1 4.06Å; L689-I714 HydrophobicContact CD1-CG1 3.87Å; R710-I714 HydrophobicContact CG-CD1 3.75Å; R710-I714 WeakPolarHBondContact O-CB 3.31Å; R710-I714 VanDerWaalsContact O-CG1 3.25Å; R710-I714 WeakPolarHBondContact O-CG1 3.34Å; R710-I714 PolarHBondContact O-N 2.71Å; T711-I714 PolarHBondContact O-N 2.77Å; I714-S716 VanDerWaalsContact C-N 3.29Å; I714-S716 PolarHBondContact O-N 3.09Å; I714-I717 PolarHBondContact O-N 3.46Å; I714-I717 VanDerWaalsContact O-N 3.14Å; I714-L718 HydrophobicContact CG2-CD1 3.65Å; I714-L718 HydrophobicContact CG2-CG 4.18Å; I714-L718 WeakPolarHBondContact O-CB 3.23Å; I714-L718 WeakPolarHBondContact O-CG 3.44Å; I714-L718 PolarHBondContact O-N 3.11Å
715	D	89.3	Confident	83.4	Confident	63 Å²	63	49.5 Å²	49.5	34%	0.337	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-38	-177.5	-63.7	-15.8	0	0	0	111.3	T711 S719 R839	T711-D715 VanDerWaalsContact CG2-OD2 3.31Å; T711-D715 WeakPolarHBondContact CG2-OD2 3.42Å; T711-D715 WeakPolarHBondContact O-CB 3.46Å; T711-D715 PolarHBondContact O-N 3.48Å; D715-S719 WeakPolarHBondContact O-CB 3.43Å; D715-S719 PolarHBondContact O-N 3.37Å; D715-R839 IonicContact OD1-CZ 2.79Å; D715-R839 IonicContact OD1-NH2 3.55Å; D715-R839 PolarHBondContact OD1-NH2 3.43Å
716	S	91	Very high	81.5	Confident	22 Å²	22	51 Å²	51	15%	0.154	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-47.3	174.8	-55.9	0	0	0	0	111.4	R567 L586 Q712 W713 I714 L720	R567-S716 PolarHBondContact NH1-OG 3.28Å; L586-S716 VanDerWaalsContact CD2-CB 3.46Å; Q712-S716 VanDerWaalsContact O-CB 3.28Å; Q712-S716 WeakPolarHBondContact O-CB 3.46Å; Q712-S716 PolarHBondContact O-N 2.94Å; Q712-S716 PolarHBondContact O-OG 2.74Å; W713-S716 PolarHBondContact O-N 3.38Å; I714-S716 VanDerWaalsContact C-N 3.29Å; I714-S716 PolarHBondContact O-N 3.09Å; S716-L720 VanDerWaalsContact O-CG 3.27Å; S716-L720 WeakPolarHBondContact O-CG 3.35Å; S716-L720 PolarHBondContact O-N 3.19Å; S716-L720 VanDerWaalsContact O-N 3.16Å
717	I	91.7	Very high	79.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-45	179.3	-67.4	164.7	0	0	0	110.8	L586 I591 L614 V617 I619 L691 W713 I714 L720 K721	L586-I717 HydrophobicContact CD1-CG1 4Å; L586-I717 HydrophobicContact CD2-CG1 4.09Å; I591-I717 HydrophobicContact CD1-CD1 3.94Å; I591-I717 HydrophobicContact CD1-CG1 4.44Å; L614-I717 HydrophobicContact CD2-CG2 4.44Å; V617-I717 HydrophobicContact CG1-CG2 4.03Å; I619-I717 HydrophobicContact CD1-CB 4.11Å; I619-I717 HydrophobicContact CD1-CG2 3.87Å; I619-I717 HydrophobicContact CG1-CG2 4.37Å; L691-I717 HydrophobicContact CD1-CD1 4.13Å; L691-I717 HydrophobicContact CD2-CD1 4.2Å; W713-I717 HydrophobicContact CE3-CD1 4.41Å; W713-I717 WeakPolarHBondContact O-CD1 3.41Å; W713-I717 VanDerWaalsContact O-CG1 3.25Å; W713-I717 WeakPolarHBondContact O-CG1 3.27Å; W713-I717 PolarHBondContact O-N 3.22Å; I714-I717 PolarHBondContact O-N 3.46Å; I714-I717 VanDerWaalsContact O-N 3.14Å; I717-L720 PolarHBondContact O-N 3.1Å; I717-K721 HydrophobicContact CG2-CD 4.01Å; I717-K721 HydrophobicContact CG2-CG 4.44Å; I717-K721 WeakPolarHBondContact O-CB 3.29Å; I717-K721 WeakPolarHBondContact O-CG 3.42Å; I717-K721 PolarHBondContact O-N 3.33Å
718	L	89.3	Confident	77.3	Confident	69 Å²	69	56.2 Å²	56.2	36%	0.361	30%	0.303	S	S	.	.	H	α-helix	trans	-66.1	-44.8	-179.9	-68.6	179.2	0	0	0	112.2	I619 I714 L720 K721 Q722	I619-L718 HydrophobicContact CD1-CD2 3.87Å; I619-L718 HydrophobicContact CD1-CG 3.89Å; I714-L718 HydrophobicContact CG2-CD1 3.65Å; I714-L718 HydrophobicContact CG2-CG 4.18Å; I714-L718 WeakPolarHBondContact O-CB 3.23Å; I714-L718 WeakPolarHBondContact O-CG 3.44Å; I714-L718 PolarHBondContact O-N 3.11Å; L718-L720 VanDerWaalsContact C-N 3.27Å; L718-L720 PolarHBondContact O-N 3.03Å; L718-K721 PolarHBondContact O-N 3.03Å; L718-Q722 WeakPolarHBondContact O-CG 3.11Å; L718-Q722 PolarHBondContact O-N 2.87Å; L718-Q722 VanDerWaalsContact O-N 3.08Å
719	S	86.5	Confident	75.4	Confident	47 Å²	47	57.7 Å²	57.7	33%	0.329	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-32.6	179	-167	0	0	0	0	112.5	D715 K723	D715-S719 WeakPolarHBondContact O-CB 3.43Å; D715-S719 PolarHBondContact O-N 3.37Å; S719-K723 WeakPolarHBondContact O-CD 3.31Å; S719-K723 WeakPolarHBondContact O-CE 3.4Å; S719-K723 WeakPolarHBondContact O-CG 3.44Å; S719-K723 PolarHBondContact O-NZ 3.47Å; S719-K723 PolarHBondContact OG-NZ 3.28Å
720	L	84.6	Confident	73.6	Confident	20 Å²	20	61.1 Å²	61.1	11%	0.105	34%	0.337	C	S	.	.	H	α-helix	trans	-73.2	-47.4	171.8	-69.2	173.6	0	0	0	111.3	V566 L586 F587 N588 L614 S716 I717 L718 Q722 K723 C724	V566-L720 HydrophobicContact CB-CD1 4.08Å; V566-L720 HydrophobicContact CG1-CD1 4.08Å; V566-L720 HydrophobicContact CG1-CD2 4.49Å; V566-L720 HydrophobicContact CG2-CD1 4.02Å; V566-L720 HydrophobicContact CG2-CD2 4.1Å; L586-L720 HydrophobicContact CD1-CD1 3.97Å; L586-L720 HydrophobicContact CD2-CD1 3.85Å; L586-L720 HydrophobicContact CG-CD1 3.72Å; F587-L720 WeakPolarHBondContact O-CD1 3.32Å; N588-L720 HydrophobicContact CB-CD2 4.43Å; L614-L720 HydrophobicContact CD1-CB 3.7Å; L614-L720 HydrophobicContact CD1-CD1 3.98Å; L614-L720 HydrophobicContact CD1-CG 4.5Å; S716-L720 VanDerWaalsContact O-CG 3.27Å; S716-L720 WeakPolarHBondContact O-CG 3.35Å; S716-L720 PolarHBondContact O-N 3.19Å; S716-L720 VanDerWaalsContact O-N 3.16Å; I717-L720 PolarHBondContact O-N 3.1Å; L718-L720 VanDerWaalsContact C-N 3.27Å; L718-L720 PolarHBondContact O-N 3.03Å; L720-Q722 PolarHBondContact O-N 3.22Å; L720-Q722 VanDerWaalsContact O-N 3.15Å; L720-K723 CarbonylContact O-C 3.6Å; L720-K723 WeakPolarHBondContact O-CA 3.36Å; L720-K723 WeakPolarHBondContact O-CB 3.23Å; L720-K723 PolarHBondContact O-N 2.86Å; L720-C724 VanDerWaalsContact C-SG 3.51Å; L720-C724 PolarHBondContact O-N 3.23Å; L720-C724 PolarHBondContact O-SG 3.36Å
721	K	82.2	Confident	72.1	Confident	57 Å²	57	64.1 Å²	64.1	25%	0.248	36%	0.363	C	S	.	.	H	α-helix	trans	-56.1	-33.1	179.2	-79.9	-177.9	68.2	-167.7	0	114.2	L614 V617 I717 L718 K723	L614-K721 HydrophobicContact CB-CG 4.09Å; L614-K721 VanDerWaalsContact O-CD 3.31Å; L614-K721 WeakPolarHBondContact O-CD 3.35Å; L614-K721 WeakPolarHBondContact O-CE 3.32Å; L614-K721 WeakPolarHBondContact O-CG 3.29Å; V617-K721 HydrophobicContact CB-CD 4.49Å; V617-K721 WeakPolarHBondContact O-CE 3.29Å; V617-K721 PolarHBondContact O-NZ 3.36Å; I717-K721 HydrophobicContact CG2-CD 4.01Å; I717-K721 HydrophobicContact CG2-CG 4.44Å; I717-K721 WeakPolarHBondContact O-CB 3.29Å; I717-K721 WeakPolarHBondContact O-CG 3.42Å; I717-K721 PolarHBondContact O-N 3.33Å; L718-K721 PolarHBondContact O-N 3.03Å; K721-K723 PolarHBondContact O-N 2.82Å
722	Q	72.8	Confident	71.3	Confident	157 Å²	157	63.4 Å²	63.4	73%	0.734	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.3	172.3	-72.3	175.1	-17.4	0	0	113.6	L718 L720	L718-Q722 WeakPolarHBondContact O-CG 3.11Å; L718-Q722 PolarHBondContact O-N 2.87Å; L718-Q722 VanDerWaalsContact O-N 3.08Å; L720-Q722 PolarHBondContact O-N 3.22Å; L720-Q722 VanDerWaalsContact O-N 3.15Å
723	K	64.6	Low	70.8	Confident	136 Å²	136	64.8 Å²	64.8	59%	0.591	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-21.8	-178.8	-62.1	164	-172.6	153.8	0	113	S719 L720 K721 N725	S719-K723 WeakPolarHBondContact O-CD 3.31Å; S719-K723 WeakPolarHBondContact O-CE 3.4Å; S719-K723 WeakPolarHBondContact O-CG 3.44Å; S719-K723 PolarHBondContact O-NZ 3.47Å; S719-K723 PolarHBondContact OG-NZ 3.28Å; L720-K723 CarbonylContact O-C 3.6Å; L720-K723 WeakPolarHBondContact O-CA 3.36Å; L720-K723 WeakPolarHBondContact O-CB 3.23Å; L720-K723 PolarHBondContact O-N 2.86Å; K721-K723 PolarHBondContact O-N 2.82Å; K723-N725 PolarHBondContact O-N 3.07Å
724	C	58.5	Low	70.4	Confident	33 Å²	33	67.1 Å²	67.1	22%	0.223	38%	0.383	C	S	.	.			trans	-67.5	20.1	-175.5	-63.8	0	0	0	0	116.5	N588 L720 L726	N588-C724 PolarHBondContact O-SG 3.24Å; L720-C724 VanDerWaalsContact C-SG 3.51Å; L720-C724 PolarHBondContact O-N 3.23Å; L720-C724 PolarHBondContact O-SG 3.36Å; C724-L726 PolarHBondContact O-N 3.17Å
725	N	52.9	Low	70	Confident	145 Å²	145	73 Å²	73	78%	0.775	42%	0.415	S	S	*	.			trans	-80.7	58.4	175.6	-75	-5.1	0	0	0	111.3	K723	K723-N725 PolarHBondContact O-N 3.07Å
726	L	47.9	Very low	69.5	Low	46 Å²	46	73.1 Å²	73.1	24%	0.241	41%	0.413	C	S	.	.			trans	-103	117.6	178.1	-63	-174.2	0	0	0	111	Q552 R553 C724 G728	Q552-L726 HydrophobicContact CB-CD1 4.47Å; Q552-L726 HydrophobicContact CB-CD2 4.47Å; Q552-L726 WeakPolarHBondContact O-CD2 3.23Å; R553-L726 HydrophobicContact CG-CD2 4.17Å; C724-L726 PolarHBondContact O-N 3.17Å; L726-G728 PolarHBondContact O-N 2.88Å
727	P	37.4	Very low	69.1	Low	113 Å²	113	72.1 Å²	72.1	73%	0.734	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	132.9	171.4	-21.4	33.3	0	0	0	110.9
728	G	46	Very low	68.8	Low	47 Å²	47	74.4 Å²	74.4	49%	0.485	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	-11.5	176	0	0	0	0	0	116.4	L726 N730	L726-G728 PolarHBondContact O-N 2.88Å; G728-N730 PolarHBondContact O-N 3Å
729	A	48.8	Very low	68.3	Low	43 Å²	43	73.9 Å²	73.9	36%	0.355	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	28.6	179.1	0	0	0	0	0	115
730	N	50.7	Low	67.8	Low	112 Å²	112	73.2 Å²	73.2	60%	0.599	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-19.1	-166.5	-80.7	-34.3	0	0	0	115.3	K615 G728	K615-N730 PolarHBondContact NZ-OD1 2.81Å; G728-N730 PolarHBondContact O-N 3Å
731	T	59.3	Low	67.7	Low	130 Å²	130	72.3 Å²	72.3	80%	0.798	41%	0.412	S	S	*	.			trans	-122.4	75.9	-172.8	53.1	0	0	0	0	111.2
732	I	71.1	Confident	67.5	Low	27 Å²	27	73 Å²	73	14%	0.138	42%	0.421	C	S	.	.			trans	-100.8	129.9	178.1	179.1	-179.9	0	0	0	110.6	R563 V590 F611 P613 V737	R563-I732 VanDerWaalsContact CZ-CD1 3.41Å; R563-I732 VanDerWaalsContact NH2-CD1 3.27Å; V590-I732 HydrophobicContact CB-CD1 3.66Å; V590-I732 HydrophobicContact CG1-CD1 3.72Å; V590-I732 HydrophobicContact CG2-CD1 3.72Å; F611-I732 HydrophobicContact CD2-CG2 4.44Å; F611-I732 HydrophobicContact CE2-CG2 3.81Å; P613-I732 HydrophobicContact CG-CG2 4.03Å; I732-V737 HydrophobicContact CD1-CG2 3.55Å; I732-V737 HydrophobicContact CG1-CG2 3.83Å
733	N	79.8	Confident	67.6	Low	85 Å²	85	68.6 Å²	68.6	46%	0.455	41%	0.412	S	S	.	.			trans	-103	146.5	-177.5	-169.3	-10.5	0	0	0	112.6	L735 E736 V737	N733-L735 PolarHBondContact O-N 3.24Å; N733-L735 PolarHBondContact OD1-N 3.23Å; N733-E736 HydrophobicContact CB-CG 4.1Å; N733-E736 PolarHBondContact N-OE2 3.08Å; N733-E736 WeakPolarHBondContact O-CB 3.02Å; N733-E736 PolarHBondContact O-N 3.22Å; N733-V737 PolarHBondContact O-N 2.88Å; N733-V737 VanDerWaalsContact O-N 3.09Å
734	S	83.5	Confident	67.9	Low	52 Å²	52	65.7 Å²	65.7	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-52.5	-39.7	173.7	-170.7	0	0	0	0	113.1	L608 E736 V737 T738	L608-S734 WeakPolarHBondContact CD2-O 3.15Å; S734-E736 VanDerWaalsContact C-N 3.33Å; S734-E736 PolarHBondContact O-N 2.91Å; S734-V737 PolarHBondContact O-N 3.2Å; S734-T738 WeakPolarHBondContact O-CB 3.5Å; S734-T738 PolarHBondContact O-N 3.49Å; S734-T738 PolarHBondContact O-OG1 2.9Å
735	L	82.3	Confident	68.4	Low	130 Å²	130	66.3 Å²	66.3	68%	0.681	40%	0.401	S	S	*	.	H	α-helix	trans	-64.6	-37.8	177.9	-78.3	74	0	0	0	111.7	N733 A739	N733-L735 PolarHBondContact O-N 3.24Å; N733-L735 PolarHBondContact OD1-N 3.23Å; L735-A739 WeakPolarHBondContact O-CB 3.43Å; L735-A739 PolarHBondContact O-N 2.95Å
736	E	79	Confident	68.8	Low	65 Å²	65	69.3 Å²	69.3	30%	0.304	41%	0.407	S	S	.	.	H	α-helix	trans	-68.9	-48.2	177.6	-59.7	174.7	131.5	0	0	110.5	N733 S734 T738 A739 F740	N733-E736 HydrophobicContact CB-CG 4.1Å; N733-E736 PolarHBondContact N-OE2 3.08Å; N733-E736 WeakPolarHBondContact O-CB 3.02Å; N733-E736 PolarHBondContact O-N 3.22Å; S734-E736 VanDerWaalsContact C-N 3.33Å; S734-E736 PolarHBondContact O-N 2.91Å; E736-T738 PolarHBondContact O-N 3.2Å; E736-A739 CarbonylContact O-C 3.49Å; E736-A739 WeakPolarHBondContact O-CB 3.47Å; E736-A739 PolarHBondContact O-N 2.62Å; E736-F740 HydrophobicContact CB-CD2 4.45Å; E736-F740 HydrophobicContact CB-CE2 4.37Å; E736-F740 WeakPolarHBondContact O-CD2 3.49Å; E736-F740 PolarHBondContact O-N 3.01Å
737	V	82.2	Confident	69.3	Low	1 Å²	1	70.6 Å²	70.6	1%	0.006	43%	0.431	C	S	.	.	H	α-helix	trans	-55.8	-41.9	176.2	177.1	0	0	0	0	111	A592 L608 F611 I732 N733 S734 F740 I741	A592-V737 HydrophobicContact CB-CG1 3.53Å; L608-V737 HydrophobicContact CD1-CG1 3.8Å; L608-V737 HydrophobicContact CD2-CB 3.77Å; L608-V737 HydrophobicContact CD2-CG1 3.66Å; L608-V737 HydrophobicContact CG-CG1 4.41Å; F611-V737 HydrophobicContact CB-CG1 4.37Å; F611-V737 HydrophobicContact CB-CG2 4.45Å; F611-V737 HydrophobicContact CD1-CG2 4.18Å; F611-V737 HydrophobicContact CG-CG2 4.15Å; I732-V737 HydrophobicContact CD1-CG2 3.55Å; I732-V737 HydrophobicContact CG1-CG2 3.83Å; N733-V737 PolarHBondContact O-N 2.88Å; N733-V737 VanDerWaalsContact O-N 3.09Å; S734-V737 PolarHBondContact O-N 3.2Å; V737-F740 PolarHBondContact O-N 3.24Å; V737-I741 HydrophobicContact CG1-CD1 4.08Å; V737-I741 WeakPolarHBondContact O-CG1 3.45Å; V737-I741 PolarHBondContact O-N 2.69Å
738	T	84.5	Confident	70.5	Confident	47 Å²	47	66.5 Å²	66.5	29%	0.288	40%	0.402	S	S	.	.	H	α-helix	trans	-63	-45.9	175.1	-53.5	0	0	0	0	111.5	L608 S734 E736 F740 I741 V742	L608-T738 WeakPolarHBondContact CD2-OG1 3.39Å; S734-T738 WeakPolarHBondContact O-CB 3.5Å; S734-T738 PolarHBondContact O-N 3.49Å; S734-T738 PolarHBondContact O-OG1 2.9Å; E736-T738 PolarHBondContact O-N 3.2Å; T738-F740 VanDerWaalsContact C-N 3.34Å; T738-F740 PolarHBondContact O-N 3.05Å; T738-I741 PolarHBondContact O-N 3.3Å; T738-V742 WeakPolarHBondContact O-CG2 3.48Å; T738-V742 PolarHBondContact O-N 2.96Å
739	A	79.8	Confident	71	Confident	59 Å²	59	72.2 Å²	72.2	49%	0.488	41%	0.414	S	S	.	.	H	α-helix	trans	-61.9	-38.4	176.6	0	0	0	0	0	112.9	L735 E736 V742 A743	L735-A739 WeakPolarHBondContact O-CB 3.43Å; L735-A739 PolarHBondContact O-N 2.95Å; E736-A739 CarbonylContact O-C 3.49Å; E736-A739 WeakPolarHBondContact O-CB 3.47Å; E736-A739 PolarHBondContact O-N 2.62Å; A739-V742 PolarHBondContact O-N 3.41Å; A739-A743 VanDerWaalsContact O-CB 3.28Å; A739-A743 WeakPolarHBondContact O-CB 3.47Å; A739-A743 PolarHBondContact O-N 3.36Å
740	F	76	Confident	71.4	Confident	33 Å²	33	72.1 Å²	72.1	15%	0.145	41%	0.409	C	S	.	.	H	α-helix	trans	-64.1	-42.3	174.2	-80.7	-68.8	0	0	0	112.7	R560 R563 F587 E736 V737 T738 A743 M744	R560-F740 WeakPolarHBondContact O-CE1 3.35Å; R560-F740 WeakPolarHBondContact O-CZ 3.45Å; R563-F740 HydrophobicContact CB-CD1 4.18Å; R563-F740 HydrophobicContact CB-CE1 3.71Å; R563-F740 HydrophobicContact CB-CE2 4.24Å; R563-F740 HydrophobicContact CB-CZ 3.73Å; R563-F740 HydrophobicContact CG-CD1 4.46Å; R563-F740 HydrophobicContact CG-CE1 4.45Å; R563-F740 VanDerWaalsContact NH1-CD2 3.31Å; F587-F740 HydrophobicContact CE1-CB 4.23Å; F587-F740 HydrophobicContact CZ-CB 4.26Å; E736-F740 HydrophobicContact CB-CD2 4.45Å; E736-F740 HydrophobicContact CB-CE2 4.37Å; E736-F740 WeakPolarHBondContact O-CD2 3.49Å; E736-F740 PolarHBondContact O-N 3.01Å; V737-F740 PolarHBondContact O-N 3.24Å; T738-F740 VanDerWaalsContact C-N 3.34Å; T738-F740 PolarHBondContact O-N 3.05Å; F740-A743 PolarHBondContact O-N 3.21Å; F740-M744 WeakPolarHBondContact O-CB 3.44Å; F740-M744 VanDerWaalsContact O-CG 3.28Å; F740-M744 WeakPolarHBondContact O-CG 3.3Å; F740-M744 PolarHBondContact O-N 3.25Å
741	I	81.5	Confident	71.5	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-62.1	-47.7	176.3	-71.2	166.6	0	0	0	110.4	F585 F587 A592 Y606 L608 V737 T738 A743 M744 Q745	F585-I741 HydrophobicContact CD1-CG1 4.23Å; F585-I741 HydrophobicContact CD2-CD1 3.92Å; F585-I741 HydrophobicContact CD2-CG1 4.09Å; F585-I741 HydrophobicContact CE1-CG1 4.23Å; F585-I741 HydrophobicContact CE1-CG2 3.99Å; F585-I741 HydrophobicContact CE2-CD1 3.98Å; F585-I741 HydrophobicContact CE2-CG1 4.09Å; F585-I741 HydrophobicContact CE2-CG2 3.95Å; F585-I741 HydrophobicContact CG-CD1 4.41Å; F585-I741 HydrophobicContact CG-CG1 4.16Å; F585-I741 HydrophobicContact CZ-CB 4.4Å; F585-I741 HydrophobicContact CZ-CG1 4.15Å; F585-I741 HydrophobicContact CZ-CG2 3.5Å; F585-I741 VanDerWaalsContact CZ-CG2 3.5Å; F587-I741 HydrophobicContact CE2-CG1 4.45Å; F587-I741 HydrophobicContact CZ-CG1 4.14Å; A592-I741 HydrophobicContact CB-CD1 4.41Å; Y606-I741 VanDerWaalsContact CB-CG2 3.5Å; Y606-I741 HydrophobicContact CD2-CG2 3.92Å; Y606-I741 HydrophobicContact CG-CG2 3.89Å; L608-I741 HydrophobicContact CD1-CD1 4.05Å; V737-I741 HydrophobicContact CG1-CD1 4.08Å; V737-I741 WeakPolarHBondContact O-CG1 3.45Å; V737-I741 PolarHBondContact O-N 2.69Å; T738-I741 PolarHBondContact O-N 3.3Å; I741-A743 VanDerWaalsContact C-N 3.35Å; I741-A743 PolarHBondContact O-N 3.36Å; I741-M744 PolarHBondContact O-N 3.04Å; I741-Q745 WeakPolarHBondContact O-CB 3.33Å; I741-Q745 PolarHBondContact O-N 3.38Å
742	V	79.8	Confident	71.2	Confident	71 Å²	71	69.1 Å²	69.1	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-64.7	-36	177.9	173.8	0	0	0	0	112.1	T738 A739 Q745	T738-V742 WeakPolarHBondContact O-CG2 3.48Å; T738-V742 PolarHBondContact O-N 2.96Å; A739-V742 PolarHBondContact O-N 3.41Å; V742-Q745 WeakPolarHBondContact O-CB 3.39Å
743	A	73.4	Confident	70.1	Confident	66 Å²	66	69.7 Å²	69.7	55%	0.545	40%	0.395	S	S	.	.	H	α-helix	trans	-67.8	-43.8	175.8	0	0	0	0	0	112.4	A739 F740 I741 Q745	A739-A743 VanDerWaalsContact O-CB 3.28Å; A739-A743 WeakPolarHBondContact O-CB 3.47Å; A739-A743 PolarHBondContact O-N 3.36Å; F740-A743 PolarHBondContact O-N 3.21Å; I741-A743 VanDerWaalsContact C-N 3.35Å; I741-A743 PolarHBondContact O-N 3.36Å; A743-Q745 VanDerWaalsContact C-N 3.33Å
744	M	71.3	Confident	68.5	Low	75 Å²	75	66.2 Å²	66.2	37%	0.369	38%	0.377	S	S	.	.	H	α-helix	trans	-69.4	-29.8	178.4	-70	-77.5	91.1	0	0	113	M565 F587 F740 I741 K746 G747 M748	M565-M744 HydrophobicContact CB-CG 4.35Å; M565-M744 HydrophobicContact CB-SD 3.94Å; M565-M744 HydrophobicContact CE-CB 4.1Å; M565-M744 HydrophobicContact CE-CG 4.37Å; M565-M744 HydrophobicContact CE-SD 4.17Å; F587-M744 HydrophobicContact CE1-CG 4.42Å; F740-M744 WeakPolarHBondContact O-CB 3.44Å; F740-M744 VanDerWaalsContact O-CG 3.28Å; F740-M744 WeakPolarHBondContact O-CG 3.3Å; F740-M744 PolarHBondContact O-N 3.25Å; I741-M744 PolarHBondContact O-N 3.04Å; M744-K746 PolarHBondContact O-N 3.35Å; M744-K746 VanDerWaalsContact O-N 3.09Å; M744-G747 PolarHBondContact O-N 2.79Å; M744-M748 HydrophobicContact CB-SD 4.47Å
745	Q	69.9	Low	67	Low	46 Å²	46	65 Å²	65	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-49.2	-38.8	-176.7	-177.8	178.9	-11.2	0	0	114.2	I604 Y606 I741 V742 A743 G747 M748	I604-Q745 VanDerWaalsContact C-NE2 3.3Å; I604-Q745 PolarHBondContact O-NE2 3.46Å; Y606-Q745 HydrophobicContact CD2-CG 4.38Å; Y606-Q745 HydrophobicContact CE2-CG 4.12Å; I741-Q745 WeakPolarHBondContact O-CB 3.33Å; I741-Q745 PolarHBondContact O-N 3.38Å; V742-Q745 WeakPolarHBondContact O-CB 3.39Å; A743-Q745 VanDerWaalsContact C-N 3.33Å; Q745-G747 PolarHBondContact O-N 3.3Å; Q745-M748 PolarHBondContact O-N 2.84Å
746	K	61.7	Low	65.6	Low	208 Å²	208	61.3 Å²	61.3	90%	0.904	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.9	179.9	-74.5	-171.7	175.2	-175.8	0	114.4	M744	M744-K746 PolarHBondContact O-N 3.35Å; M744-K746 VanDerWaalsContact O-N 3.09Å
747	G	57.1	Low	64.4	Low	72 Å²	72	61.7 Å²	61.7	74%	0.742	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.8	177.3	0	0	0	0	0	114.4	M744 Q745	M744-G747 PolarHBondContact O-N 2.79Å; Q745-G747 PolarHBondContact O-N 3.3Å
748	M	63.7	Low	63.1	Low	28 Å²	28	66.7 Å²	66.7	14%	0.138	37%	0.367	C	S	.	.			trans	-85.4	117.7	-172.5	-73.2	170.3	59.5	0	0	112.1	M565 H583 F585 Y606 M744 Q745	M565-M748 HydrophobicContact CE-CG 3.96Å; M565-M748 HydrophobicContact CE-SD 4.3Å; H583-M748 WeakPolarHBondContact CE1-CE 3.48Å; F585-M748 HydrophobicContact CE1-CE 3.75Å; F585-M748 HydrophobicContact CE1-SD 3.85Å; F585-M748 HydrophobicContact CZ-CE 4.25Å; Y606-M748 HydrophobicContact CE2-CE 4.33Å; M744-M748 HydrophobicContact CB-SD 4.47Å; Q745-M748 PolarHBondContact O-N 2.84Å
749	K	56.8	Low	61.2	Low	167 Å²	167	69.3 Å²	69.3	73%	0.726	38%	0.379	S	S	*	.			trans	-78.1	115.6	158.1	-64.9	-166.4	175.7	-163.4	0	108.4	E751	K749-E751 PolarHBondContact O-N 3.42Å
750	T	55.9	Low	59.4	Low	40 Å²	40	72.9 Å²	72.9	25%	0.245	40%	0.395	C	S	.	.			trans	-72.5	105.9	177.7	48.9	0	0	0	0	110.2	I604 M752	I604-T750 HydrophobicContact CD1-CG2 4.08Å; T750-M752 PolarHBondContact O-N 3.42Å
751	E	52.6	Low	57.7	Low	170 Å²	170	77.7 Å²	77.7	79%	0.794	42%	0.422	S	S	*	.			trans	-68.6	0.7	-177.2	-62.5	-163.8	148.3	0	0	115.1	K749 G753	K749-E751 PolarHBondContact O-N 3.42Å; E751-G753 PolarHBondContact O-N 3.37Å
752	M	52.8	Low	56.3	Low	9 Å²	9	80.8 Å²	80.8	4%	0.044	44%	0.439	C	S	.	.	S	Bend	trans	-74.1	67	167.8	-68.2	-66.5	-73.1	0	0	110.8	F570 V681 T750 S754 Y755 L756	F570-M752 HydrophobicContact CB-CG 3.9Å; F570-M752 HydrophobicContact CB-SD 3.86Å; F570-M752 HydrophobicContact CD1-CG 4.15Å; F570-M752 HydrophobicContact CD2-CB 4.27Å; F570-M752 HydrophobicContact CD2-CG 3.15Å; F570-M752 HydrophobicContact CD2-SD 4.25Å; F570-M752 HydrophobicContact CE1-CG 4.49Å; F570-M752 HydrophobicContact CE2-CB 4.27Å; F570-M752 HydrophobicContact CE2-CG 3.58Å; F570-M752 HydrophobicContact CG-CG 3.47Å; F570-M752 VanDerWaalsContact CG-CG 3.47Å; F570-M752 HydrophobicContact CG-SD 4.09Å; F570-M752 HydrophobicContact CZ-CG 4.23Å; V681-M752 HydrophobicContact CG1-CE 4.14Å; V681-M752 HydrophobicContact CG2-CE 4.49Å; T750-M752 PolarHBondContact O-N 3.42Å; M752-S754 PolarHBondContact O-N 3.49Å; M752-Y755 HydrophobicContact CE-CD1 4.5Å; M752-L756 HydrophobicContact CB-CB 4.47Å; M752-L756 HydrophobicContact CB-CD1 4.01Å; M752-L756 HydrophobicContact CB-CG 4.3Å; M752-L756 HydrophobicContact CE-CD1 3.88Å; M752-L756 HydrophobicContact CE-CG 4.08Å; M752-L756 HydrophobicContact CG-CD1 3.93Å
753	G	48.4	Very low	55	Low	40 Å²	40	82.4 Å²	82.4	41%	0.412	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	127.2	-175.6	0	0	0	0	0	112.7	E751 Y755	E751-G753 PolarHBondContact O-N 3.37Å; G753-Y755 PolarHBondContact O-N 2.75Å
754	S	46.7	Very low	54.5	Low	12 Å²	12	83.1 Å²	83.1	8%	0.084	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	-16.8	174.9	-165	0	0	0	0	117.8	M752 R758 D762	M752-S754 PolarHBondContact O-N 3.49Å; S754-R758 WeakPolarHBondContact O-CA 3.31Å; S754-R758 WeakPolarHBondContact O-CB 3.46Å; S754-R758 VanDerWaalsContact O-CG 3.23Å; S754-R758 WeakPolarHBondContact O-CG 3.3Å; S754-R758 PolarHBondContact O-N 2.7Å; S754-R758 PolarHBondContact O-NE 3.48Å; S754-R758 VanDerWaalsContact O-NE 3.1Å; S754-D762 VanDerWaalsContact CB-OD2 3.32Å; S754-D762 WeakPolarHBondContact CB-OD2 3.48Å; S754-D762 VanDerWaalsContact OG-CG 3.3Å; S754-D762 PolarHBondContact OG-OD2 2.91Å
755	Y	52.3	Low	54.6	Low	25 Å²	25	81.6 Å²	81.6	10%	0.098	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-54.4	-171	178.6	-103.7	0	0	0	112.9	A674 E677 S678 V681 M752 G753 R758 Y795	A674-Y755 PolarHBondContact O-OH 3.29Å; E677-Y755 HydrophobicContact CB-CD2 4.01Å; E677-Y755 HydrophobicContact CB-CE2 3.19Å; E677-Y755 HydrophobicContact CG-CE2 4.16Å; E677-Y755 WeakPolarHBondContact OE2-CE2 3.45Å; S678-Y755 VanDerWaalsContact CA-OH 3.24Å; S678-Y755 WeakPolarHBondContact CA-OH 3.44Å; S678-Y755 VanDerWaalsContact CB-OH 3.3Å; S678-Y755 WeakPolarHBondContact CB-OH 3.44Å; S678-Y755 PolarHBondContact N-OH 2.79Å; V681-Y755 HydrophobicContact CG2-CD1 3.55Å; V681-Y755 HydrophobicContact CG2-CE1 3.49Å; V681-Y755 VanDerWaalsContact CG2-CE1 3.49Å; V681-Y755 HydrophobicContact CG2-CG 4.48Å; M752-Y755 HydrophobicContact CE-CD1 4.5Å; G753-Y755 PolarHBondContact O-N 2.75Å; Y755-R758 VanDerWaalsContact CE2-NH2 3.33Å; Y755-Y795 HydrophobicContact CD2-CD1 4.47Å
756	L	53.1	Low	55	Low	54 Å²	54	79.8 Å²	79.8	28%	0.283	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-21.4	176.3	-64.1	179.6	0	0	0	113.2	F570 L581 M752	F570-L756 HydrophobicContact CD1-CD1 4.12Å; F570-L756 HydrophobicContact CE1-CD1 3.72Å; F570-L756 HydrophobicContact CZ-CD1 4.05Å; L581-L756 HydrophobicContact CD2-CD1 4.08Å; M752-L756 HydrophobicContact CB-CB 4.47Å; M752-L756 HydrophobicContact CB-CD1 4.01Å; M752-L756 HydrophobicContact CB-CG 4.3Å; M752-L756 HydrophobicContact CE-CD1 3.88Å; M752-L756 HydrophobicContact CE-CG 4.08Å; M752-L756 HydrophobicContact CG-CD1 3.93Å
757	M	53.5	Low	56	Low	72 Å²	72	73 Å²	73	36%	0.355	40%	0.404	S	S	.	.	S	Bend	trans	-126.3	43.6	-172.5	-63.7	-61.3	-64.8	0	0	110.3	Y596 I604 N759	Y596-M757 PolarHBondContact OH-SD 2.7Å; I604-M757 HydrophobicContact CD1-CE 4.29Å; I604-M757 HydrophobicContact CD1-SD 4.32Å; M757-N759 PolarHBondContact O-N 3.46Å; M757-N759 VanDerWaalsContact O-N 3.11Å
758	R	54.9	Low	57.5	Low	107 Å²	107	70 Å²	70	40%	0.404	37%	0.372	S	S	.	.			trans	-64	113.4	-175.1	-153.8	164.7	-54.3	170.6	19	110.3	E677 S754 Y755	E677-R758 IonicContact OE1-NH1 3.32Å; E677-R758 IonicContact OE2-CZ 3.75Å; E677-R758 IonicContact OE2-NH1 3.79Å; E677-R758 PolarHBondContact OE2-NH1 2.98Å; E677-R758 IonicContact OE2-NH2 2.75Å; E677-R758 PolarHBondContact OE2-NH2 3.2Å; S754-R758 WeakPolarHBondContact O-CA 3.31Å; S754-R758 WeakPolarHBondContact O-CB 3.46Å; S754-R758 VanDerWaalsContact O-CG 3.23Å; S754-R758 WeakPolarHBondContact O-CG 3.3Å; S754-R758 PolarHBondContact O-N 2.7Å; S754-R758 PolarHBondContact O-NE 3.48Å; S754-R758 VanDerWaalsContact O-NE 3.1Å; Y755-R758 VanDerWaalsContact CE2-NH2 3.33Å
759	N	45.2	Very low	58.8	Low	101 Å²	101	71 Å²	71	54%	0.54	38%	0.378	S	S	.	.			trans	-84.4	154.5	172.1	-158.1	-3	0	0	0	108.9	M757 N761 D762	M757-N759 PolarHBondContact O-N 3.46Å; M757-N759 VanDerWaalsContact O-N 3.11Å; N759-N761 PolarHBondContact O-N 3.36Å; N759-D762 PolarHBondContact N-OD2 2.97Å; N759-D762 PolarHBondContact O-N 3.33Å
760	T	41.1	Very low	60.6	Low	134 Å²	134	63 Å²	63	82%	0.822	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-6.3	179	44.5	0	0	0	0	113.8
761	N	39.5	Very low	62.4	Low	134 Å²	134	65.2 Å²	65.2	72%	0.717	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	4.5	-171.9	-53.5	15.3	0	0	0	112.4	N759	N759-N761 PolarHBondContact O-N 3.36Å
762	D	52.1	Low	64.4	Low	66 Å²	66	57.1 Å²	57.1	35%	0.353	31%	0.31	S	S	.	.	S	Bend	trans	-66.7	139.7	176.9	-69.8	-26.5	0	0	0	110.8	S754 N759	S754-D762 VanDerWaalsContact CB-OD2 3.32Å; S754-D762 WeakPolarHBondContact CB-OD2 3.48Å; S754-D762 VanDerWaalsContact OG-CG 3.3Å; S754-D762 PolarHBondContact OG-OD2 2.91Å; N759-D762 PolarHBondContact N-OD2 2.97Å; N759-D762 PolarHBondContact O-N 3.33Å
763	E	53.7	Low	66.4	Low	104 Å²	104	56.8 Å²	56.8	49%	0.486	31%	0.309	S	S	.	.			trans	-54.2	142.6	172.4	-82.4	-165.7	-169.6	0	0	111.3	L765 S851	E763-L765 PolarHBondContact O-N 3.24Å; E763-L765 VanDerWaalsContact O-N 3.1Å; E763-S851 VanDerWaalsContact CD-OG 3.25Å; E763-S851 PolarHBondContact OE1-OG 2.89Å; E763-S851 WeakPolarHBondContact OE2-CA 3.37Å; E763-S851 VanDerWaalsContact OE2-CB 3.25Å; E763-S851 WeakPolarHBondContact OE2-CB 3.45Å; E763-S851 PolarHBondContact OE2-OG 3.48Å
764	S	62.6	Low	68.7	Low	82 Å²	82	54.9 Å²	54.9	57%	0.573	29%	0.289	S	S	*	.			trans	-58	115.4	179.3	55.5	0	0	0	0	111.5	L766	S764-L766 PolarHBondContact O-N 3.48Å
765	L	72.3	Confident	71	Confident	42 Å²	42	57.9 Å²	57.9	22%	0.22	30%	0.302	C	S	.	.			trans	-46.8	124.6	179.7	-59.6	176.3	0	0	0	111.7	E763 Q827	E763-L765 PolarHBondContact O-N 3.24Å; E763-L765 VanDerWaalsContact O-N 3.1Å; L765-Q827 HydrophobicContact CD2-CG 3.96Å
766	L	79.3	Confident	72.9	Confident	9 Å²	9	57.1 Å²	57.1	5%	0.047	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133	-171.2	-61.7	173.5	0	0	0	112	S764 L823 G825 S826 L850 L852 L855 F878	S764-L766 PolarHBondContact O-N 3.48Å; L766-L823 HydrophobicContact CB-CD1 3.77Å; L766-L823 HydrophobicContact CD1-CD1 4.15Å; L766-G825 CarbonylContact O-C 3.54Å; L766-G825 WeakPolarHBondContact O-CA 3.49Å; L766-G825 PolarHBondContact O-N 2.87Å; L766-S826 WeakPolarHBondContact CB-O 3.29Å; L766-S826 PolarHBondContact N-O 3.06Å; L766-S826 VanDerWaalsContact N-O 3.14Å; L766-S826 PolarHBondContact O-N 3.22Å; L766-L850 HydrophobicContact CD1-CB 3.34Å; L766-L850 HydrophobicContact CD1-CD1 3.99Å; L766-L850 HydrophobicContact CD1-CG 4.31Å; L766-L852 HydrophobicContact CD2-CD1 4.48Å; L766-L852 HydrophobicContact CD2-CD2 3.46Å; L766-L852 VanDerWaalsContact CD2-CD2 3.46Å; L766-L852 HydrophobicContact CD2-CG 3.74Å; L766-L855 HydrophobicContact CD1-CD1 3.84Å; L766-F878 HydrophobicContact CD2-CE1 4.32Å; L766-F878 HydrophobicContact CD2-CZ 4.39Å
767	V	83.3	Confident	74.8	Confident	65 Å²	65	54.6 Å²	54.6	39%	0.394	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.6	176.3	-176.6	0	0	0	0	108.2	L823 G881	V767-L823 WeakPolarHBondContact CA-O 3.11Å; V767-G881 PolarHBondContact O-N 2.89Å
768	G	87.5	Confident	76.5	Confident	8 Å²	8	57.7 Å²	57.7	8%	0.082	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143	-170.6	-173.7	0	0	0	0	0	112	L823 I879	G768-L823 PolarHBondContact N-O 2.85Å; G768-L823 WeakPolarHBondContact O-CB 3.29Å; G768-L823 PolarHBondContact O-N 3.31Å; G768-I879 CarbonylContact C-O 3.5Å; G768-I879 WeakPolarHBondContact CA-O 3.28Å
769	D	91.9	Very high	78	Confident	49 Å²	49	54.5 Å²	54.5	26%	0.262	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.5	-178.8	-72.5	-46.8	0	0	0	111.4	Y771 M820 I879	D769-Y771 HydrophobicContact CB-CD2 4.37Å; D769-Y771 HydrophobicContact CB-CE2 3.74Å; D769-M820 HydrophobicContact CB-CG 4.13Å; D769-I879 PolarHBondContact N-O 3.4Å; D769-I879 PolarHBondContact O-N 2.82Å
770	L	93.6	Very high	79.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	109	171.5	179.5	66.7	0	0	0	109.8	L821 L823 V829 L850 L855 F876 F878	L770-L821 HydrophobicContact CB-CB 4.29Å; L770-L821 HydrophobicContact CD2-CD1 4.42Å; L770-L821 PolarHBondContact N-O 3.33Å; L770-L821 VanDerWaalsContact O-CB 3.28Å; L770-L821 WeakPolarHBondContact O-CB 3.39Å; L770-L821 WeakPolarHBondContact O-CG 3.43Å; L770-L821 PolarHBondContact O-N 2.67Å; L770-L823 HydrophobicContact CB-CD1 3.98Å; L770-L823 HydrophobicContact CB-CD2 3.89Å; L770-L823 HydrophobicContact CB-CG 3.88Å; L770-L823 HydrophobicContact CD2-CD2 4.18Å; L770-V829 HydrophobicContact CD2-CG2 3.89Å; L770-L850 HydrophobicContact CD2-CD1 4.15Å; L770-L850 HydrophobicContact CD2-CD2 3.76Å; L770-L855 HydrophobicContact CD1-CD2 3.79Å; L770-F876 HydrophobicContact CD1-CB 4.4Å; L770-F876 HydrophobicContact CD1-CD1 4.19Å; L770-F876 HydrophobicContact CD2-CD1 4.4Å; L770-F876 HydrophobicContact CG-CD1 4.5Å; L770-F878 HydrophobicContact CD1-CB 4.23Å
771	Y	94.3	Very high	81.8	Confident	86 Å²	86	52 Å²	52	34%	0.337	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.9	171.3	-64.3	-103.1	0	0	0	108.6	D769 F819 M820 F876 R877 I879	D769-Y771 HydrophobicContact CB-CD2 4.37Å; D769-Y771 HydrophobicContact CB-CE2 3.74Å; Y771-F819 CarbonylContact C-O 3.55Å; Y771-F819 WeakPolarHBondContact CA-O 3.46Å; Y771-M820 HydrophobicContact CD1-CB 4.32Å; Y771-M820 HydrophobicContact CD1-CG 4.28Å; Y771-M820 HydrophobicContact CE1-CB 4.15Å; Y771-M820 HydrophobicContact CE1-CG 3.82Å; Y771-M820 HydrophobicContact CE1-SD 4.14Å; Y771-M820 HydrophobicContact CE2-CG 4.22Å; Y771-F876 CarbonylContact O-C 3.51Å; Y771-F876 WeakPolarHBondContact O-CA 3.41Å; Y771-R877 PolarHBondContact N-O 2.83Å; Y771-R877 PolarHBondContact O-N 3.12Å; Y771-I879 HydrophobicContact CD2-CD1 4.32Å; Y771-I879 HydrophobicContact CD2-CG1 4.32Å; Y771-I879 HydrophobicContact CE2-CD1 3.63Å; Y771-I879 HydrophobicContact CE2-CG1 3.97Å
772	M	95.3	Very high	83.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117	-178.8	-179.8	178	177.5	0	0	110.5	V774 V790 S818 F819 L821 V829 I831 S875 F876	M772-V774 HydrophobicContact CE-CG2 4.01Å; M772-V790 HydrophobicContact CE-CG2 4.24Å; M772-V790 HydrophobicContact SD-CG1 3.74Å; M772-V790 HydrophobicContact SD-CG2 4.17Å; M772-S818 WeakPolarHBondContact O-CA 3.46Å; M772-F819 PolarHBondContact N-O 2.59Å; M772-F819 PolarHBondContact O-N 2.64Å; M772-L821 HydrophobicContact CB-CD1 3.76Å; M772-L821 HydrophobicContact CB-CG 4.49Å; M772-L821 HydrophobicContact SD-CD1 4.05Å; M772-V829 HydrophobicContact SD-CG1 4.22Å; M772-I831 HydrophobicContact CE-CD1 3.6Å; M772-I831 HydrophobicContact CE-CG1 4.04Å; M772-S875 CarbonylContact C-O 3.55Å; M772-S875 WeakPolarHBondContact CA-O 3.25Å; M772-F876 HydrophobicContact CB-CD1 4.27Å; M772-F876 HydrophobicContact CB-CE1 4.2Å; M772-F876 HydrophobicContact CE-CE1 4.01Å; M772-F876 HydrophobicContact CE-CZ 3.89Å; M772-F876 HydrophobicContact CG-CD1 4.08Å; M772-F876 HydrophobicContact CG-CE1 3.58Å; M772-F876 HydrophobicContact CG-CZ 4.16Å; M772-F876 HydrophobicContact SD-CE1 3.7Å; M772-F876 HydrophobicContact SD-CZ 4.22Å
773	G	94.7	Very high	85.5	Confident	2 Å²	2	51 Å²	51	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	137.1	167.3	0	0	0	0	0	111.3	E817 C874 S875	G773-E817 CarbonylContact C-O 3.46Å; G773-E817 WeakPolarHBondContact CA-O 3.46Å; G773-C874 CarbonylContact O-C 3.59Å; G773-C874 WeakPolarHBondContact O-CA 3.4Å; G773-C874 WeakPolarHBondContact O-CB 3.48Å; G773-S875 PolarHBondContact N-O 2.79Å; G773-S875 PolarHBondContact O-N 2.95Å
774	V	95.9	Very high	87	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.2	172.4	-177.7	0	0	0	0	107.4	M772 I788 T804 W815 N816 E817 F819 L872	M772-V774 HydrophobicContact CE-CG2 4.01Å; V774-I788 HydrophobicContact CG1-CD1 3.78Å; V774-T804 HydrophobicContact CB-CG2 4.2Å; V774-T804 HydrophobicContact CG1-CG2 4.08Å; V774-T804 HydrophobicContact CG2-CG2 4.38Å; V774-W815 HydrophobicContact CG1-CB 4.42Å; V774-W815 HydrophobicContact CG1-CD2 4.44Å; V774-W815 HydrophobicContact CG1-CE3 4.13Å; V774-N816 CarbonylContact O-C 3.6Å; V774-N816 VanDerWaalsContact O-CA 3.27Å; V774-N816 WeakPolarHBondContact O-CA 3.27Å; V774-N816 PolarHBondContact O-N 3.02Å; V774-E817 PolarHBondContact N-O 2.83Å; V774-E817 PolarHBondContact O-N 2.99Å; V774-F819 HydrophobicContact CB-CE2 4.49Å; V774-F819 HydrophobicContact CG2-CD2 4.35Å; V774-F819 HydrophobicContact CG2-CE2 4.06Å; V774-L872 HydrophobicContact CG1-CD1 4.27Å
775	H	94.4	Very high	88.5	Confident	75 Å²	75	45 Å²	45	35%	0.347	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-71.9	-169.8	-57.4	-62.3	0	0	0	111.4	L814 W815 N816 G873 C874 S875	H775-L814 CarbonylContact O-C 3.57Å; H775-L814 WeakPolarHBondContact O-CA 3.09Å; H775-W815 PolarHBondContact O-N 3.04Å; H775-N816 WeakPolarHBondContact CA-OD1 3.37Å; H775-N816 PolarHBondContact O-N 2.88Å; H775-N816 PolarHBondContact O-OD1 3.36Å; H775-G873 WeakPolarHBondContact CB-O 3.39Å; H775-G873 PolarHBondContact N-O 2.98Å; H775-C874 VanDerWaalsContact NE2-C 3.35Å; H775-S875 PolarHBondContact CE1-OG 2.89Å; H775-S875 WeakPolarHBondContact NE2-CA 3.48Å; H775-S875 WeakPolarHBondContact NE2-CB 3.23Å; H775-S875 PolarHBondContact NE2-N 3.47Å; H775-S875 PolarHBondContact NE2-OG 3.09Å
776	G	92.1	Very high	89.5	Confident	9 Å²	9	43 Å²	43	9%	0.093	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	159.6	-176	0	0	0	0	0	113.2	P813 G873	G776-P813 VanDerWaalsContact CA-O 3.31Å; G776-P813 WeakPolarHBondContact CA-O 3.19Å; G776-G873 PolarHBondContact O-N 2.84Å
777	L	93	Very high	90.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.4	178.7	171.4	70.2	0	0	0	110.2	L780 L786 T812 P813 W815 L833 L866 L870 E871 L872	L777-L780 HydrophobicContact CD2-CD1 3.96Å; L777-L780 HydrophobicContact CD2-CD2 4.4Å; L777-L780 HydrophobicContact CD2-CG 4.24Å; L777-L780 HydrophobicContact CG-CD1 4.37Å; L777-L786 HydrophobicContact CD2-CD1 4.31Å; L777-T812 WeakPolarHBondContact O-CA 3.39Å; L777-P813 HydrophobicContact CB-CG 4.07Å; L777-P813 HydrophobicContact CD2-CG 4.28Å; L777-P813 PolarHBondContact N-O 3.09Å; L777-P813 VanDerWaalsContact N-O 3.08Å; L777-W815 HydrophobicContact CB-CH2 4.06Å; L777-W815 HydrophobicContact CB-CZ3 3.66Å; L777-W815 HydrophobicContact CD2-CH2 4.24Å; L777-L833 HydrophobicContact CD2-CD1 3.88Å; L777-L833 HydrophobicContact CD2-CD2 3.55Å; L777-L833 HydrophobicContact CD2-CG 4.38Å; L777-L866 HydrophobicContact CD1-CD1 3.89Å; L777-L870 HydrophobicContact CD1-CB 4.09Å; L777-L870 HydrophobicContact CD1-CD2 4.3Å; L777-E871 WeakPolarHBondContact CA-O 3.42Å; L777-L872 HydrophobicContact CB-CD1 4Å; L777-L872 HydrophobicContact CD1-CB 4.27Å
778	E	90.8	Very high	90.8	Very high	138 Å²	138	41.5 Å²	41.5	65%	0.645	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	163.2	178.1	-62.3	-175.4	-176.1	0	0	111.3	L870 E871	E778-L870 WeakPolarHBondContact O-CA 3.2Å; E778-E871 PolarHBondContact N-O 2.73Å; E778-E871 PolarHBondContact O-N 3.06Å
779	G	84.6	Confident	91.1	Very high	40 Å²	40	41.2 Å²	41.2	41%	0.412	21%	0.214	S	C	.	.			trans	84.5	17.2	173.4	0	0	0	0	0	116.8	E781 T869	G779-E781 PolarHBondContact O-N 2.86Å; G779-T869 WeakPolarHBondContact CA-O 3.32Å
780	L	85.6	Confident	91.3	Very high	19 Å²	19	39 Å²	39	10%	0.099	20%	0.202	C	C	.	.			trans	-77.4	119.2	172.2	-69.3	157	0	0	0	111.2	L777 Q782 L786 Q811 P813 L870	L777-L780 HydrophobicContact CD2-CD1 3.96Å; L777-L780 HydrophobicContact CD2-CD2 4.4Å; L777-L780 HydrophobicContact CD2-CG 4.24Å; L777-L780 HydrophobicContact CG-CD1 4.37Å; L780-Q782 PolarHBondContact O-N 3.02Å; L780-L786 HydrophobicContact CD1-CD1 3.42Å; L780-L786 VanDerWaalsContact CD1-CD1 3.42Å; L780-L786 HydrophobicContact CD2-CD1 3.78Å; L780-L786 HydrophobicContact CG-CD1 4.27Å; L780-Q811 WeakPolarHBondContact CB-O 3.4Å; L780-P813 VanDerWaalsContact CD1-CD 3.44Å; L780-P813 HydrophobicContact CD1-CG 3.92Å; L780-L870 HydrophobicContact CB-CD2 4.44Å; L780-L870 HydrophobicContact CD2-CD2 3.64Å; L780-L870 HydrophobicContact CG-CD2 3.72Å
781	E	82.3	Confident	91.3	Very high	162 Å²	162	39 Å²	39	76%	0.757	20%	0.202	S	C	*	.	S	Bend	trans	-65.8	-20.1	173.6	-59.6	179.3	164.2	0	0	113.7	G779	G779-E781 PolarHBondContact O-N 2.86Å
782	Q	82.6	Confident	91.2	Very high	130 Å²	130	34.9 Å²	34.9	61%	0.607	19%	0.187	S	C	*	.	S	Bend	trans	-141.6	143.4	-173.1	-65	-177.2	7.6	0	0	111.5	L780 N784	L780-Q782 PolarHBondContact O-N 3.02Å; Q782-N784 PolarHBondContact O-N 2.69Å; Q782-N784 PolarHBondContact O-ND2 3.28Å
783	A	85.3	Confident	90.7	Very high	50 Å²	50	35.5 Å²	35.5	41%	0.413	19%	0.19	S	C	.	.			trans	-72	114.3	177.4	0	0	0	0	0	110.6	S810 Q811	A783-S810 WeakPolarHBondContact CA-O 3.22Å; A783-Q811 HydrophobicContact CB-CG 3.91Å
784	N	86.3	Confident	90.1	Very high	21 Å²	21	35.7 Å²	35.7	11%	0.112	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	160.4	-173.4	-74.8	-82.5	0	0	0	112	Q782 L786 R809 S810 E835	Q782-N784 PolarHBondContact O-N 2.69Å; Q782-N784 PolarHBondContact O-ND2 3.28Å; N784-L786 HydrophobicContact CB-CD1 4.1Å; N784-L786 HydrophobicContact CB-CD2 4.1Å; N784-L786 HydrophobicContact CB-CG 3.85Å; N784-R809 PolarHBondContact O-N 3.28Å; N784-S810 PolarHBondContact N-O 3.34Å; N784-S810 PolarHBondContact O-N 2.88Å; N784-E835 HydrophobicContact CB-CG 4.49Å; N784-E835 PolarHBondContact OD1-OE1 3.33Å; N784-E835 VanDerWaalsContact OD1-OE1 3.11Å
785	D	92.7	Very high	89	Confident	38 Å²	38	36.2 Å²	36.2	20%	0.203	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	104.2	172.1	-90.2	37.6	0	0	0	109.5	K806 I807 C808 R809 E835 A836	D785-K806 HydrophobicContact CB-CD 4.24Å; D785-K806 IonicContact OD2-NZ 2.77Å; D785-K806 PolarHBondContact OD2-NZ 3.24Å; D785-I807 CarbonylContact C-O 3.56Å; D785-I807 WeakPolarHBondContact CA-O 3.48Å; D785-C808 WeakPolarHBondContact OD1-CA 3.45Å; D785-C808 WeakPolarHBondContact OD1-CB 3.28Å; D785-R809 PolarHBondContact OD1-N 2.79Å; D785-E835 CarbonylContact O-C 3.59Å; D785-E835 WeakPolarHBondContact O-CA 3.28Å; D785-A836 HydrophobicContact CB-CB 4.24Å; D785-A836 PolarHBondContact O-N 2.87Å
786	L	93.4	Very high	87.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	144.7	-164.7	-66.1	172.3	0	0	0	113.3	L777 L780 N784 K806 I807 P813 W815 L833 Y834 E835 K843	L777-L786 HydrophobicContact CD2-CD1 4.31Å; L780-L786 HydrophobicContact CD1-CD1 3.42Å; L780-L786 VanDerWaalsContact CD1-CD1 3.42Å; L780-L786 HydrophobicContact CD2-CD1 3.78Å; L780-L786 HydrophobicContact CG-CD1 4.27Å; N784-L786 HydrophobicContact CB-CD1 4.1Å; N784-L786 HydrophobicContact CB-CD2 4.1Å; N784-L786 HydrophobicContact CB-CG 3.85Å; L786-K806 WeakPolarHBondContact O-CA 3.48Å; L786-I807 PolarHBondContact N-O 3.06Å; L786-I807 PolarHBondContact O-N 3.28Å; L786-P813 HydrophobicContact CD1-CG 4.16Å; L786-W815 HydrophobicContact CB-CZ2 4.26Å; L786-L833 HydrophobicContact CB-CD1 4.34Å; L786-L833 HydrophobicContact CD2-CD1 4.3Å; L786-L833 HydrophobicContact CD2-CG 4.43Å; L786-Y834 WeakPolarHBondContact CA-O 3.32Å; L786-E835 HydrophobicContact CD2-CB 4.07Å; L786-E835 HydrophobicContact CD2-CG 4.45Å; L786-K843 HydrophobicContact CD2-CG 4.2Å
787	Y	95.1	Very high	87.4	Confident	43 Å²	43	34 Å²	34	17%	0.169	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	161	170.5	69.6	-80.4	0	0	0	110.8	T803 Y834 A836 P840	Y787-T803 HydrophobicContact CD2-CG2 3.77Å; Y787-T803 HydrophobicContact CE2-CG2 4.18Å; Y787-Y834 VanDerWaalsContact CE1-CB 3.45Å; Y787-Y834 HydrophobicContact CE1-CG 4.45Å; Y787-Y834 HydrophobicContact CE2-CD2 4.2Å; Y787-Y834 HydrophobicContact CE2-CG 4.28Å; Y787-Y834 VanDerWaalsContact CZ-CB 3.41Å; Y787-Y834 AromaticContact CZ-CG 3.95Å; Y787-Y834 PolarHBondContact N-O 3.22Å; Y787-Y834 PolarHBondContact O-N 2.99Å; Y787-A836 HydrophobicContact CD1-CB 4.33Å; Y787-A836 HydrophobicContact CE1-CB 4.23Å; Y787-P840 WeakPolarHBondContact OH-CB 3.39Å
788	I	95.1	Very high	87.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.3	-176.9	-67.4	168.4	0	0	0	109.5	V774 V790 T803 T804 W815 I831 L832 L833 L872	V774-I788 HydrophobicContact CG1-CD1 3.78Å; I788-V790 HydrophobicContact CG2-CG2 4.15Å; I788-T803 CarbonylContact O-C 3.52Å; I788-T803 VanDerWaalsContact O-CA 3.3Å; I788-T803 WeakPolarHBondContact O-CA 3.46Å; I788-T804 HydrophobicContact CB-CG2 4.07Å; I788-T804 PolarHBondContact N-OG1 2.71Å; I788-T804 PolarHBondContact O-N 3.21Å; I788-W815 HydrophobicContact CD1-CD2 4.32Å; I788-W815 HydrophobicContact CD1-CE3 3.93Å; I788-W815 HydrophobicContact CD1-CH2 3.6Å; I788-W815 HydrophobicContact CD1-CZ2 4.01Å; I788-W815 HydrophobicContact CD1-CZ3 3.56Å; I788-W815 HydrophobicContact CG1-CH2 4.06Å; I788-W815 HydrophobicContact CG1-CZ2 4.09Å; I788-W815 HydrophobicContact CG1-CZ3 4.49Å; I788-I831 HydrophobicContact CG2-CG2 3.71Å; I788-L832 WeakPolarHBondContact CA-O 3.2Å; I788-L833 HydrophobicContact CD1-CD1 4.36Å; I788-L833 HydrophobicContact CG1-CD1 3.76Å; I788-L872 HydrophobicContact CD1-CD1 3.53Å; I788-L872 HydrophobicContact CD1-CD2 3.97Å; I788-L872 HydrophobicContact CD1-CG 4.44Å
789	C	95.3	Very high	86.9	Confident	3 Å²	3	31 Å²	31	2%	0.02	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.3	165.1	-70.9	0	0	0	0	109.3	L832 Y834	C789-L832 HydrophobicContact CB-CB 4.24Å; C789-L832 PolarHBondContact N-O 2.69Å; C789-L832 PolarHBondContact O-N 3.43Å; C789-Y834 HydrophobicContact CB-CD2 4.28Å; C789-Y834 HydrophobicContact CB-CE2 4.16Å
790	V	95.1	Very high	87.2	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.4	172.1	-175.5	0	0	0	0	108.6	M772 I788 K801 A802 L821 V829	M772-V790 HydrophobicContact CE-CG2 4.24Å; M772-V790 HydrophobicContact SD-CG1 3.74Å; M772-V790 HydrophobicContact SD-CG2 4.17Å; I788-V790 HydrophobicContact CG2-CG2 4.15Å; V790-K801 PolarHBondContact O-N 2.84Å; V790-A802 HydrophobicContact CB-CB 4.2Å; V790-A802 PolarHBondContact N-O 3.18Å; V790-A802 PolarHBondContact O-N 2.99Å; V790-L821 HydrophobicContact CG1-CD1 3.97Å; V790-V829 HydrophobicContact CG1-CG1 3.6Å
791	E	94	Very high	87.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.8	-177.3	-46.9	-170	138.7	0	0	108.9	F799 R800 R830 L832	E791-F799 CarbonylContact C-O 3.53Å; E791-F799 VanDerWaalsContact CA-O 3.23Å; E791-F799 WeakPolarHBondContact CA-O 3.4Å; E791-R800 HydrophobicContact CG-CB 4.01Å; E791-R800 HydrophobicContact CG-CG 4.12Å; E791-R800 IonicContact OE1-CZ 3.81Å; E791-R800 IonicContact OE1-NE 3.5Å; E791-R800 PolarHBondContact OE1-NE 3.11Å; E791-R800 IonicContact OE1-NH2 2.81Å; E791-R800 PolarHBondContact OE1-NH2 3.08Å; E791-R830 HydrophobicContact CB-CB 4.45Å; E791-R830 PolarHBondContact N-O 2.91Å; E791-R830 PolarHBondContact O-N 3.44Å; E791-R830 IonicContact OE2-CZ 3.97Å; E791-R830 IonicContact OE2-NE 3.45Å; E791-R830 PolarHBondContact OE2-NE 3.05Å; E791-R830 VanDerWaalsContact OE2-NE 3.12Å; E791-R830 IonicContact OE2-NH2 2.66Å; E791-R830 PolarHBondContact OE2-NH2 3.28Å; E791-L832 HydrophobicContact CG-CD1 4.35Å; E791-L832 VanDerWaalsContact OE2-CD1 3.26Å; E791-L832 WeakPolarHBondContact OE2-CD1 3.42Å
792	V	91.2	Very high	88	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.7	-175.1	-173	0	0	0	0	108.7	F799 K801 L821 L823 V829	V792-F799 PolarHBondContact N-O 3.03Å; V792-F799 PolarHBondContact O-N 3.38Å; V792-K801 HydrophobicContact CB-CG 4.14Å; V792-K801 HydrophobicContact CG2-CB 4.12Å; V792-K801 HydrophobicContact CG2-CG 3.91Å; V792-L821 HydrophobicContact CG2-CB 4.31Å; V792-L821 HydrophobicContact CG2-CD1 4.17Å; V792-L823 HydrophobicContact CG1-CD2 3.7Å; V792-V829 HydrophobicContact CG1-CG2 4.5Å; V792-V829 HydrophobicContact CG2-CG2 4.31Å
793	D	86.4	Confident	88.6	Confident	12 Å²	12	26.1 Å²	26.1	6%	0.064	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	146	174.2	69.8	-10.3	0	0	0	112.7	H797 Y798 S826 Q827 N828	D793-H797 CarbonylContact C-O 3.56Å; D793-H797 VanDerWaalsContact CA-O 3.3Å; D793-H797 WeakPolarHBondContact CA-O 3.41Å; D793-Y798 HydrophobicContact CB-CD1 4.11Å; D793-Y798 HydrophobicContact CB-CE1 3.93Å; D793-Y798 HydrophobicContact CB-CG 4.49Å; D793-S826 VanDerWaalsContact O-CB 3.29Å; D793-S826 WeakPolarHBondContact O-CB 3.44Å; D793-S826 PolarHBondContact O-OG 3.14Å; D793-S826 VanDerWaalsContact OD1-CA 3.29Å; D793-S826 WeakPolarHBondContact OD1-CA 3.47Å; D793-S826 VanDerWaalsContact OD1-CB 3.32Å; D793-S826 WeakPolarHBondContact OD1-CB 3.41Å; D793-Q827 PolarHBondContact OD1-N 2.74Å; D793-Q827 PolarHBondContact OD2-N 2.62Å; D793-N828 HydrophobicContact CB-CB 4.45Å; D793-N828 PolarHBondContact N-O 2.91Å; D793-N828 PolarHBondContact OD1-N 2.92Å; D793-N828 VanDerWaalsContact OD1-O 3.11Å; D793-N828 WeakPolarHBondContact OD2-CB 3.39Å; D793-N828 PolarHBondContact OD2-N 2.79Å; D793-N828 VanDerWaalsContact OD2-N 3.09Å; D793-N828 PolarHBondContact OD2-ND2 2.9Å
794	S	81.2	Confident	89.1	Confident	7 Å²	7	24.1 Å²	24.1	5%	0.049	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	117.9	169.9	-170.5	0	0	0	0	107	G796 H797 E824	S794-G796 VanDerWaalsContact C-N 3.25Å; S794-G796 PolarHBondContact O-N 2.99Å; S794-H797 PolarHBondContact N-O 3.17Å; S794-H797 PolarHBondContact O-N 2.97Å; S794-H797 VanDerWaalsContact O-N 3.1Å; S794-E824 PolarHBondContact OG-O 2.89Å; S794-E824 VanDerWaalsContact OG-O 3.06Å
795	Y	72.6	Confident	89.5	Confident	11 Å²	11	30 Å²	30	4%	0.043	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	34.7	-178.7	-48.6	-75	0	0	0	114.5	L644 R648 E677 L680 V681 Y755 E824	L644-Y795 HydrophobicContact CD1-CE1 3.98Å; L644-Y795 HydrophobicContact CD1-CE2 4.45Å; R648-Y795 PolarHBondContact NH1-OH 3.3Å; R648-Y795 PolarHBondContact NH2-OH 2.94Å; R648-Y795 VanDerWaalsContact NH2-OH 3.12Å; E677-Y795 HydrophobicContact CB-CD1 3.98Å; E677-Y795 HydrophobicContact CB-CE1 4.28Å; E677-Y795 HydrophobicContact CG-CD1 3.81Å; E677-Y795 HydrophobicContact CG-CE1 3.59Å; L680-Y795 HydrophobicContact CB-CD2 4.27Å; L680-Y795 HydrophobicContact CB-CG 4.49Å; L680-Y795 HydrophobicContact CD1-CD2 3.78Å; L680-Y795 HydrophobicContact CD1-CE2 3.6Å; L680-Y795 HydrophobicContact CD1-CG 4.44Å; V681-Y795 WeakPolarHBondContact CG2-O 3.2Å; Y755-Y795 HydrophobicContact CD2-CD1 4.47Å; Y795-E824 HydrophobicContact CE2-CB 4.43Å; Y795-E824 VanDerWaalsContact CE2-O 3.23Å; Y795-E824 WeakPolarHBondContact CE2-O 3.28Å; Y795-E824 VanDerWaalsContact CZ-O 3.23Å; Y795-E824 PolarHBondContact OH-O 2.86Å
796	G	71.3	Confident	89.5	Confident	25 Å²	25	33.1 Å²	33.1	26%	0.258	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	5.3	179.9	0	0	0	0	0	115.5	S794	S794-G796 VanDerWaalsContact C-N 3.25Å; S794-G796 PolarHBondContact O-N 2.99Å
797	H	80.9	Confident	89.4	Confident	11 Å²	11	35.3 Å²	35.3	5%	0.051	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.8	177.5	-71.5	-43.4	0	0	0	111.4	V681 P685 D793 S794 F799	V681-H797 PolarHBondContact O-NE2 3.29Å; P685-H797 VanDerWaalsContact CG-CD2 3.45Å; P685-H797 WeakPolarHBondContact CG-CD2 3.24Å; P685-H797 WeakPolarHBondContact CG-NE2 3.22Å; D793-H797 CarbonylContact C-O 3.56Å; D793-H797 VanDerWaalsContact CA-O 3.3Å; D793-H797 WeakPolarHBondContact CA-O 3.41Å; S794-H797 PolarHBondContact N-O 3.17Å; S794-H797 PolarHBondContact O-N 2.97Å; S794-H797 VanDerWaalsContact O-N 3.1Å; H797-F799 HydrophobicContact CB-CE1 4.46Å; H797-F799 HydrophobicContact CB-CE2 3.48Å; H797-F799 VanDerWaalsContact CB-CE2 3.48Å; H797-F799 HydrophobicContact CB-CZ 3.44Å; H797-F799 VanDerWaalsContact CB-CZ 3.44Å; H797-F799 WeakPolarHBondContact O-CD2 3.41Å; H797-F799 WeakPolarHBondContact O-CE2 3.49Å
798	Y	86.9	Confident	89.2	Confident	31 Å²	31	36.4 Å²	36.4	12%	0.122	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.8	-176.9	-78.7	-87.9	0	0	0	111.3	S705 D793 N828 R830	S705-Y798 CarbonylContact C-O 3.58Å; S705-Y798 WeakPolarHBondContact CB-O 3.42Å; S705-Y798 PolarHBondContact OG-N 2.91Å; S705-Y798 PolarHBondContact OG-O 2.76Å; D793-Y798 HydrophobicContact CB-CD1 4.11Å; D793-Y798 HydrophobicContact CB-CE1 3.93Å; D793-Y798 HydrophobicContact CB-CG 4.49Å; Y798-N828 HydrophobicContact CE1-CB 4.1Å; Y798-N828 VanDerWaalsContact OH-CB 3.31Å; Y798-N828 WeakPolarHBondContact OH-CB 3.38Å; Y798-R830 VanDerWaalsContact CB-CZ 3.45Å; Y798-R830 HydrophobicContact CD1-CB 3.62Å; Y798-R830 HydrophobicContact CE1-CB 3.52Å; Y798-R830 VanDerWaalsContact CG-NH1 3.32Å
799	F	87.5	Confident	88.7	Confident	47 Å²	47	46.6 Å²	46.6	21%	0.206	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.8	-179.5	-59.1	-76.8	0	0	0	111	T684 E791 V792 H797 K801	T684-F799 VanDerWaalsContact CB-CZ 3.49Å; T684-F799 WeakPolarHBondContact O-CE1 3.39Å; T684-F799 WeakPolarHBondContact OG1-CZ 3.45Å; E791-F799 CarbonylContact C-O 3.53Å; E791-F799 VanDerWaalsContact CA-O 3.23Å; E791-F799 WeakPolarHBondContact CA-O 3.4Å; V792-F799 PolarHBondContact N-O 3.03Å; V792-F799 PolarHBondContact O-N 3.38Å; H797-F799 HydrophobicContact CB-CE1 4.46Å; H797-F799 HydrophobicContact CB-CE2 3.48Å; H797-F799 VanDerWaalsContact CB-CE2 3.48Å; H797-F799 HydrophobicContact CB-CZ 3.44Å; H797-F799 VanDerWaalsContact CB-CZ 3.44Å; H797-F799 WeakPolarHBondContact O-CD2 3.41Å; H797-F799 WeakPolarHBondContact O-CE2 3.49Å; F799-K801 PolarHBondContact O-N 3.13Å
800	R	90.8	Very high	88.3	Confident	98 Å²	98	47.9 Å²	47.9	37%	0.37	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	118.9	173.8	-163.8	173	-54.8	138.1	15	109.8	D707 E791 T803	D707-R800 IonicContact OD2-CZ 3.71Å; D707-R800 IonicContact OD2-NH1 3.73Å; D707-R800 PolarHBondContact OD2-NH1 2.96Å; D707-R800 IonicContact OD2-NH2 2.69Å; D707-R800 PolarHBondContact OD2-NH2 3.07Å; E791-R800 HydrophobicContact CG-CB 4.01Å; E791-R800 HydrophobicContact CG-CG 4.12Å; E791-R800 IonicContact OE1-CZ 3.81Å; E791-R800 IonicContact OE1-NE 3.5Å; E791-R800 PolarHBondContact OE1-NE 3.11Å; E791-R800 IonicContact OE1-NH2 2.81Å; E791-R800 PolarHBondContact OE1-NH2 3.08Å; R800-T803 WeakPolarHBondContact CD-OG1 3.24Å
801	K	91.5	Very high	87.8	Confident	77 Å²	77	53.2 Å²	53.2	34%	0.335	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-27.7	-178.4	-70.8	-104.2	-177.3	164.9	0	111.7	V790 V792 F799 L821 E822	V790-K801 PolarHBondContact O-N 2.84Å; V792-K801 HydrophobicContact CB-CG 4.14Å; V792-K801 HydrophobicContact CG2-CB 4.12Å; V792-K801 HydrophobicContact CG2-CG 3.91Å; F799-K801 PolarHBondContact O-N 3.13Å; K801-L821 HydrophobicContact CB-CD2 3.71Å; K801-E822 PolarHBondContact NZ-O 3.47Å; K801-E822 IonicContact NZ-OE2 2.97Å
802	A	93.4	Very high	87.5	Confident	10 Å²	10	57.2 Å²	57.2	8%	0.083	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	162.4	173.4	0	0	0	0	0	112.8	V790 F819 L821	V790-A802 HydrophobicContact CB-CB 4.2Å; V790-A802 PolarHBondContact N-O 3.18Å; V790-A802 PolarHBondContact O-N 2.99Å; A802-F819 HydrophobicContact CB-CB 3.82Å; A802-F819 HydrophobicContact CB-CD1 3.46Å; A802-F819 VanDerWaalsContact CB-CD1 3.46Å; A802-F819 HydrophobicContact CB-CD2 3.97Å; A802-F819 HydrophobicContact CB-CE1 3.97Å; A802-F819 HydrophobicContact CB-CE2 4.44Å; A802-F819 HydrophobicContact CB-CG 3.45Å; A802-F819 VanDerWaalsContact CB-CG 3.45Å; A802-F819 HydrophobicContact CB-CZ 4.43Å; A802-L821 HydrophobicContact CB-CD2 4.1Å
803	T	95.3	Very high	87.5	Confident	63 Å²	63	57.2 Å²	57.2	39%	0.387	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	129.6	172	-56.4	0	0	0	0	107.8	Y787 I788 R800	Y787-T803 HydrophobicContact CD2-CG2 3.77Å; Y787-T803 HydrophobicContact CE2-CG2 4.18Å; I788-T803 CarbonylContact O-C 3.52Å; I788-T803 VanDerWaalsContact O-CA 3.3Å; I788-T803 WeakPolarHBondContact O-CA 3.46Å; R800-T803 WeakPolarHBondContact CD-OG1 3.24Å
804	T	95.9	Very high	87.8	Confident	8 Å²	8	61.8 Å²	61.8	5%	0.049	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-77.4	160.9	179.7	65.2	0	0	0	0	112.1	V774 I788 W815 E817 F819	V774-T804 HydrophobicContact CB-CG2 4.2Å; V774-T804 HydrophobicContact CG1-CG2 4.08Å; V774-T804 HydrophobicContact CG2-CG2 4.38Å; I788-T804 HydrophobicContact CB-CG2 4.07Å; I788-T804 PolarHBondContact N-OG1 2.71Å; I788-T804 PolarHBondContact O-N 3.21Å; T804-W815 HydrophobicContact CG2-CB 4.45Å; T804-W815 HydrophobicContact CG2-CG 4.14Å; T804-W815 VanDerWaalsContact OG1-CD1 3.27Å; T804-W815 PolarHBondContact OG1-NE1 2.8Å; T804-E817 WeakPolarHBondContact CA-OE2 3.48Å; T804-E817 VanDerWaalsContact CB-OE2 3.23Å; T804-E817 WeakPolarHBondContact CB-OE2 3.47Å; T804-F819 HydrophobicContact CG2-CE2 3.8Å; T804-F819 HydrophobicContact CG2-CZ 3.81Å
805	K	93.8	Very high	88.4	Confident	144 Å²	144	62.4 Å²	62.4	63%	0.626	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-57.3	145.9	167.6	-70.1	-177	-169.3	84	0	110.7	I807 W815 E817	K805-I807 PolarHBondContact O-N 2.96Å; K805-W815 PolarHBondContact O-NE1 3.47Å; K805-E817 WeakPolarHBondContact CG-OE1 3.27Å; K805-E817 PolarHBondContact N-OE2 3.29Å; K805-E817 IonicContact NZ-OE1 3.59Å; K805-E817 PolarHBondContact NZ-OE1 3.31Å
806	K	93.6	Very high	89.4	Confident	103 Å²	103	66.7 Å²	66.7	45%	0.448	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-72.9	116.3	172	-172.9	-174.9	66.2	136.4	0	110.2	D785 L786 C808 A836	D785-K806 HydrophobicContact CB-CD 4.24Å; D785-K806 IonicContact OD2-NZ 2.77Å; D785-K806 PolarHBondContact OD2-NZ 3.24Å; L786-K806 WeakPolarHBondContact O-CA 3.48Å; K806-C808 WeakPolarHBondContact CE-SG 3.46Å; K806-C808 PolarHBondContact NZ-SG 3.27Å; K806-A836 HydrophobicContact CD-CB 3.46Å; K806-A836 VanDerWaalsContact CD-CB 3.46Å; K806-A836 HydrophobicContact CG-CB 4.34Å
807	I	91.6	Very high	90.6	Very high	46 Å²	46	66.9 Å²	66.9	24%	0.236	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.3	167.6	-56.2	-59.5	0	0	0	107.7	D785 L786 K805 P813 L814 W815	D785-I807 CarbonylContact C-O 3.56Å; D785-I807 WeakPolarHBondContact CA-O 3.48Å; L786-I807 PolarHBondContact N-O 3.06Å; L786-I807 PolarHBondContact O-N 3.28Å; K805-I807 PolarHBondContact O-N 2.96Å; I807-P813 HydrophobicContact CB-CB 3.74Å; I807-P813 HydrophobicContact CG1-CB 4.13Å; I807-P813 HydrophobicContact CG2-CB 3.63Å; I807-L814 WeakPolarHBondContact CD1-O 3.33Å; I807-W815 HydrophobicContact CG1-CD2 4.41Å; I807-W815 HydrophobicContact CG1-CG 4.3Å
808	C	89.9	Confident	91.2	Very high	67 Å²	67	70.7 Å²	70.7	45%	0.453	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.6	-174.3	-53.4	0	0	0	0	110.8	D785 K806 S810	D785-C808 WeakPolarHBondContact OD1-CA 3.45Å; D785-C808 WeakPolarHBondContact OD1-CB 3.28Å; K806-C808 WeakPolarHBondContact CE-SG 3.46Å; K806-C808 PolarHBondContact NZ-SG 3.27Å; C808-S810 VanDerWaalsContact C-N 3.3Å; C808-S810 PolarHBondContact O-N 2.83Å; C808-S810 VanDerWaalsContact O-N 3.14Å
809	R	84.1	Confident	91.6	Very high	214 Å²	214	71.1 Å²	71.1	81%	0.808	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.7	41.7	170.4	-53.2	-178.4	-178	179.6	-1	115.7	N784 D785	N784-R809 PolarHBondContact O-N 3.28Å; D785-R809 PolarHBondContact OD1-N 2.79Å
810	S	86.4	Confident	91.9	Very high	29 Å²	29	74.1 Å²	74.1	20%	0.203	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.6	176.6	-170.7	0	0	0	0	112.7	A783 N784 C808 T812	A783-S810 WeakPolarHBondContact CA-O 3.22Å; N784-S810 PolarHBondContact N-O 3.34Å; N784-S810 PolarHBondContact O-N 2.88Å; C808-S810 VanDerWaalsContact C-N 3.3Å; C808-S810 PolarHBondContact O-N 2.83Å; C808-S810 VanDerWaalsContact O-N 3.14Å; S810-T812 PolarHBondContact OG-N 3.46Å; S810-T812 PolarHBondContact OG-O 3.36Å
811	Q	86.1	Confident	92	Very high	113 Å²	113	69.4 Å²	69.4	53%	0.528	35%	0.35	S	S	.	.	S	Bend	trans	-91.8	-14.9	167.6	-60.8	-178.7	15.1	0	0	112.1	L780 A783	L780-Q811 WeakPolarHBondContact CB-O 3.4Å; A783-Q811 HydrophobicContact CB-CG 3.91Å
812	T	87.3	Confident	91.9	Very high	85 Å²	85	69.1 Å²	69.1	52%	0.521	35%	0.349	S	S	.	.	S	Bend	trans	-138.4	69.5	176.6	43.8	0	0	0	0	108.8	L777 S810 L814	L777-T812 WeakPolarHBondContact O-CA 3.39Å; S810-T812 PolarHBondContact OG-N 3.46Å; S810-T812 PolarHBondContact OG-O 3.36Å; T812-L814 PolarHBondContact O-N 3.36Å
813	P	90.2	Very high	91.7	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.346	C	S	.	.			trans	-67.4	124.6	-178.2	28	-33.7	0	0	0	110.1	G776 L777 L780 L786 I807 W815	G776-P813 VanDerWaalsContact CA-O 3.31Å; G776-P813 WeakPolarHBondContact CA-O 3.19Å; L777-P813 HydrophobicContact CB-CG 4.07Å; L777-P813 HydrophobicContact CD2-CG 4.28Å; L777-P813 PolarHBondContact N-O 3.09Å; L777-P813 VanDerWaalsContact N-O 3.08Å; L780-P813 VanDerWaalsContact CD1-CD 3.44Å; L780-P813 HydrophobicContact CD1-CG 3.92Å; L786-P813 HydrophobicContact CD1-CG 4.16Å; I807-P813 HydrophobicContact CB-CB 3.74Å; I807-P813 HydrophobicContact CG1-CB 4.13Å; I807-P813 HydrophobicContact CG2-CB 3.63Å; P813-W815 HydrophobicContact CB-CH2 3.88Å; P813-W815 HydrophobicContact CB-CZ2 4.07Å; P813-W815 HydrophobicContact CB-CZ3 4.2Å; P813-W815 HydrophobicContact CG-CH2 3.57Å; P813-W815 HydrophobicContact CG-CZ2 4.19Å; P813-W815 HydrophobicContact CG-CZ3 3.96Å; P813-W815 WeakPolarHBondContact O-CZ3 3.36Å
814	L	92.6	Very high	91.1	Very high	108 Å²	108	66.2 Å²	66.2	57%	0.565	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.7	172.7	-56.1	-178.2	0	0	0	108.4	H775 I807 T812	H775-L814 CarbonylContact O-C 3.57Å; H775-L814 WeakPolarHBondContact O-CA 3.09Å; I807-L814 WeakPolarHBondContact CD1-O 3.33Å; T812-L814 PolarHBondContact O-N 3.36Å
815	W	94.7	Very high	90.1	Very high	20 Å²	20	66.1 Å²	66.1	8%	0.076	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-49.7	174.1	-68.6	-81.2	0	0	0	110.7	V774 H775 L777 L786 I788 T804 K805 I807 P813 E817 L833 L872	V774-W815 HydrophobicContact CG1-CB 4.42Å; V774-W815 HydrophobicContact CG1-CD2 4.44Å; V774-W815 HydrophobicContact CG1-CE3 4.13Å; H775-W815 PolarHBondContact O-N 3.04Å; L777-W815 HydrophobicContact CB-CH2 4.06Å; L777-W815 HydrophobicContact CB-CZ3 3.66Å; L777-W815 HydrophobicContact CD2-CH2 4.24Å; L786-W815 HydrophobicContact CB-CZ2 4.26Å; I788-W815 HydrophobicContact CD1-CD2 4.32Å; I788-W815 HydrophobicContact CD1-CE3 3.93Å; I788-W815 HydrophobicContact CD1-CH2 3.6Å; I788-W815 HydrophobicContact CD1-CZ2 4.01Å; I788-W815 HydrophobicContact CD1-CZ3 3.56Å; I788-W815 HydrophobicContact CG1-CH2 4.06Å; I788-W815 HydrophobicContact CG1-CZ2 4.09Å; I788-W815 HydrophobicContact CG1-CZ3 4.49Å; T804-W815 HydrophobicContact CG2-CB 4.45Å; T804-W815 HydrophobicContact CG2-CG 4.14Å; T804-W815 VanDerWaalsContact OG1-CD1 3.27Å; T804-W815 PolarHBondContact OG1-NE1 2.8Å; K805-W815 PolarHBondContact O-NE1 3.47Å; I807-W815 HydrophobicContact CG1-CD2 4.41Å; I807-W815 HydrophobicContact CG1-CG 4.3Å; P813-W815 HydrophobicContact CB-CH2 3.88Å; P813-W815 HydrophobicContact CB-CZ2 4.07Å; P813-W815 HydrophobicContact CB-CZ3 4.2Å; P813-W815 HydrophobicContact CG-CH2 3.57Å; P813-W815 HydrophobicContact CG-CZ2 4.19Å; P813-W815 HydrophobicContact CG-CZ3 3.96Å; P813-W815 WeakPolarHBondContact O-CZ3 3.36Å; W815-E817 HydrophobicContact CB-CG 4.16Å; W815-E817 WeakPolarHBondContact O-CG 3.37Å; W815-E817 PolarHBondContact O-N 2.71Å; W815-L833 HydrophobicContact CH2-CD1 4.24Å; W815-L872 HydrophobicContact CZ3-CD1 4.04Å
816	N	93.9	Very high	89.7	Confident	102 Å²	102	59.3 Å²	59.3	55%	0.545	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49	39.6	-172.5	-60.6	-35.3	0	0	0	113	V774 H775	V774-N816 CarbonylContact O-C 3.6Å; V774-N816 VanDerWaalsContact O-CA 3.27Å; V774-N816 WeakPolarHBondContact O-CA 3.27Å; V774-N816 PolarHBondContact O-N 3.02Å; H775-N816 WeakPolarHBondContact CA-OD1 3.37Å; H775-N816 PolarHBondContact O-N 2.88Å; H775-N816 PolarHBondContact O-OD1 3.36Å
817	E	95.3	Very high	89.2	Confident	29 Å²	29	56.5 Å²	56.5	14%	0.136	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.4	-178.2	-59.7	-164.3	114.9	0	0	110.8	G773 V774 T804 K805 W815 F819	G773-E817 CarbonylContact C-O 3.46Å; G773-E817 WeakPolarHBondContact CA-O 3.46Å; V774-E817 PolarHBondContact N-O 2.83Å; V774-E817 PolarHBondContact O-N 2.99Å; T804-E817 WeakPolarHBondContact CA-OE2 3.48Å; T804-E817 VanDerWaalsContact CB-OE2 3.23Å; T804-E817 WeakPolarHBondContact CB-OE2 3.47Å; K805-E817 WeakPolarHBondContact CG-OE1 3.27Å; K805-E817 PolarHBondContact N-OE2 3.29Å; K805-E817 IonicContact NZ-OE1 3.59Å; K805-E817 PolarHBondContact NZ-OE1 3.31Å; W815-E817 HydrophobicContact CB-CG 4.16Å; W815-E817 WeakPolarHBondContact O-CG 3.37Å; W815-E817 PolarHBondContact O-N 2.71Å; E817-F819 HydrophobicContact CB-CE1 4.43Å; E817-F819 HydrophobicContact CB-CE2 3.84Å; E817-F819 HydrophobicContact CB-CZ 3.6Å
818	S	94.3	Very high	89	Confident	91 Å²	91	55.7 Å²	55.7	64%	0.636	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.1	179.3	-68.3	0	0	0	0	111.2	M772	M772-S818 WeakPolarHBondContact O-CA 3.46Å
819	F	95.7	Very high	89.1	Confident	39 Å²	39	52.5 Å²	52.5	17%	0.171	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.5	-174.3	-52.7	-77.5	0	0	0	110.8	Y771 M772 V774 A802 T804 E817 L821	Y771-F819 CarbonylContact C-O 3.55Å; Y771-F819 WeakPolarHBondContact CA-O 3.46Å; M772-F819 PolarHBondContact N-O 2.59Å; M772-F819 PolarHBondContact O-N 2.64Å; V774-F819 HydrophobicContact CB-CE2 4.49Å; V774-F819 HydrophobicContact CG2-CD2 4.35Å; V774-F819 HydrophobicContact CG2-CE2 4.06Å; A802-F819 HydrophobicContact CB-CB 3.82Å; A802-F819 HydrophobicContact CB-CD1 3.46Å; A802-F819 VanDerWaalsContact CB-CD1 3.46Å; A802-F819 HydrophobicContact CB-CD2 3.97Å; A802-F819 HydrophobicContact CB-CE1 3.97Å; A802-F819 HydrophobicContact CB-CE2 4.44Å; A802-F819 HydrophobicContact CB-CG 3.45Å; A802-F819 VanDerWaalsContact CB-CG 3.45Å; A802-F819 HydrophobicContact CB-CZ 4.43Å; T804-F819 HydrophobicContact CG2-CE2 3.8Å; T804-F819 HydrophobicContact CG2-CZ 3.81Å; E817-F819 HydrophobicContact CB-CE1 4.43Å; E817-F819 HydrophobicContact CB-CE2 3.84Å; E817-F819 HydrophobicContact CB-CZ 3.6Å; F819-L821 HydrophobicContact CB-CD2 4.03Å; F819-L821 HydrophobicContact CB-CG 4.5Å
820	M	94	Very high	89.5	Confident	110 Å²	110	42.7 Å²	42.7	54%	0.542	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.9	170.5	-169.4	-173.7	88.7	0	0	108.8	D769 Y771	D769-M820 HydrophobicContact CB-CG 4.13Å; Y771-M820 HydrophobicContact CD1-CB 4.32Å; Y771-M820 HydrophobicContact CD1-CG 4.28Å; Y771-M820 HydrophobicContact CE1-CB 4.15Å; Y771-M820 HydrophobicContact CE1-CG 3.82Å; Y771-M820 HydrophobicContact CE1-SD 4.14Å; Y771-M820 HydrophobicContact CE2-CG 4.22Å
821	L	92.9	Very high	90	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	98.9	-173.5	-49.5	174.1	0	0	0	109.3	L770 M772 V790 V792 K801 A802 F819 L823	L770-L821 HydrophobicContact CB-CB 4.29Å; L770-L821 HydrophobicContact CD2-CD1 4.42Å; L770-L821 PolarHBondContact N-O 3.33Å; L770-L821 VanDerWaalsContact O-CB 3.28Å; L770-L821 WeakPolarHBondContact O-CB 3.39Å; L770-L821 WeakPolarHBondContact O-CG 3.43Å; L770-L821 PolarHBondContact O-N 2.67Å; M772-L821 HydrophobicContact CB-CD1 3.76Å; M772-L821 HydrophobicContact CB-CG 4.49Å; M772-L821 HydrophobicContact SD-CD1 4.05Å; V790-L821 HydrophobicContact CG1-CD1 3.97Å; V792-L821 HydrophobicContact CG2-CB 4.31Å; V792-L821 HydrophobicContact CG2-CD1 4.17Å; K801-L821 HydrophobicContact CB-CD2 3.71Å; A802-L821 HydrophobicContact CB-CD2 4.1Å; F819-L821 HydrophobicContact CB-CD2 4.03Å; F819-L821 HydrophobicContact CB-CG 4.5Å; L821-L823 PolarHBondContact O-N 3.4Å; L821-L823 VanDerWaalsContact O-N 3.12Å
822	E	89.8	Confident	90.4	Very high	70 Å²	70	35.9 Å²	35.9	33%	0.327	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	114.4	173.7	-177.4	-167.5	-150.2	0	0	109.4	R645 K801 E824	R645-E822 IonicContact CZ-OE1 3.77Å; R645-E822 VanDerWaalsContact CZ-OE1 3.32Å; R645-E822 IonicContact NH1-OE1 3.37Å; R645-E822 PolarHBondContact NH1-OE1 3.35Å; R645-E822 IonicContact NH2-OE1 2.71Å; R645-E822 PolarHBondContact NH2-OE1 2.95Å; R645-E822 IonicContact NH2-OE2 2.74Å; K801-E822 PolarHBondContact NZ-O 3.47Å; K801-E822 IonicContact NZ-OE2 2.97Å; E822-E824 HydrophobicContact CG-CG 4.18Å
823	L	88.2	Confident	90.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.8	174.9	-56.3	-168.6	0	0	0	109.6	L766 V767 G768 L770 V792 L821 L850 F878	L766-L823 HydrophobicContact CB-CD1 3.77Å; L766-L823 HydrophobicContact CD1-CD1 4.15Å; V767-L823 WeakPolarHBondContact CA-O 3.11Å; G768-L823 PolarHBondContact N-O 2.85Å; G768-L823 WeakPolarHBondContact O-CB 3.29Å; G768-L823 PolarHBondContact O-N 3.31Å; L770-L823 HydrophobicContact CB-CD1 3.98Å; L770-L823 HydrophobicContact CB-CD2 3.89Å; L770-L823 HydrophobicContact CB-CG 3.88Å; L770-L823 HydrophobicContact CD2-CD2 4.18Å; V792-L823 HydrophobicContact CG1-CD2 3.7Å; L821-L823 PolarHBondContact O-N 3.4Å; L821-L823 VanDerWaalsContact O-N 3.12Å; L823-L850 HydrophobicContact CD1-CD1 3.8Å; L823-L850 HydrophobicContact CD2-CD1 4.09Å; L823-F878 HydrophobicContact CD1-CD2 4.1Å; L823-F878 HydrophobicContact CD1-CE2 3.8Å
824	E	81.9	Confident	90.9	Very high	11 Å²	11	32.7 Å²	32.7	5%	0.051	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	68.8	-177.2	-72.5	-170.5	99.3	0	0	110.4	K641 R645 S794 Y795 E822 S826	K641-E824 WeakPolarHBondContact CD-OE1 3.3Å; K641-E824 WeakPolarHBondContact CE-OE2 3.39Å; K641-E824 IonicContact NZ-OE1 3.16Å; K641-E824 IonicContact NZ-OE2 2.62Å; K641-E824 PolarHBondContact NZ-OE2 2.95Å; R645-E824 IonicContact CZ-OE1 2.75Å; R645-E824 IonicContact NE-OE1 3.93Å; R645-E824 IonicContact NH2-OE1 2.7Å; R645-E824 PolarHBondContact NH2-OE1 2.81Å; S794-E824 PolarHBondContact OG-O 2.89Å; S794-E824 VanDerWaalsContact OG-O 3.06Å; Y795-E824 HydrophobicContact CE2-CB 4.43Å; Y795-E824 VanDerWaalsContact CE2-O 3.23Å; Y795-E824 WeakPolarHBondContact CE2-O 3.28Å; Y795-E824 VanDerWaalsContact CZ-O 3.23Å; Y795-E824 PolarHBondContact OH-O 2.86Å; E822-E824 HydrophobicContact CG-CG 4.18Å; E824-S826 PolarHBondContact N-OG 3.29Å
825	G	76.9	Confident	90.8	Very high	6 Å²	6	28.3 Å²	28.3	6%	0.062	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.2	42.2	-172	0	0	0	0	0	112.2	L766	L766-G825 CarbonylContact O-C 3.54Å; L766-G825 WeakPolarHBondContact O-CA 3.49Å; L766-G825 PolarHBondContact O-N 2.87Å
826	S	84.6	Confident	90.5	Very high	1 Å²	1	29 Å²	29	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	153.9	-173.2	-57.2	0	0	0	0	112.3	L766 D793 E824	L766-S826 WeakPolarHBondContact CB-O 3.29Å; L766-S826 PolarHBondContact N-O 3.06Å; L766-S826 VanDerWaalsContact N-O 3.14Å; L766-S826 PolarHBondContact O-N 3.22Å; D793-S826 VanDerWaalsContact O-CB 3.29Å; D793-S826 WeakPolarHBondContact O-CB 3.44Å; D793-S826 PolarHBondContact O-OG 3.14Å; D793-S826 VanDerWaalsContact OD1-CA 3.29Å; D793-S826 WeakPolarHBondContact OD1-CA 3.47Å; D793-S826 VanDerWaalsContact OD1-CB 3.32Å; D793-S826 WeakPolarHBondContact OD1-CB 3.41Å; E824-S826 PolarHBondContact N-OG 3.29Å
827	Q	82.2	Confident	90.1	Very high	45 Å²	45	29.3 Å²	29.3	21%	0.21	15%	0.154	C	C	.	.			trans	-132.6	-17.8	175.6	-68.1	-174.6	-29.7	0	0	112.7	L765 D793 L850	L765-Q827 HydrophobicContact CD2-CG 3.96Å; D793-Q827 PolarHBondContact OD1-N 2.74Å; D793-Q827 PolarHBondContact OD2-N 2.62Å; Q827-L850 PolarHBondContact O-N 2.85Å
828	N	88.1	Confident	89.3	Confident	28 Å²	28	38 Å²	38	15%	0.15	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	134.4	-170	-57.2	-89	0	0	0	112.9	D793 Y798 I847 L848	D793-N828 HydrophobicContact CB-CB 4.45Å; D793-N828 PolarHBondContact N-O 2.91Å; D793-N828 PolarHBondContact OD1-N 2.92Å; D793-N828 VanDerWaalsContact OD1-O 3.11Å; D793-N828 WeakPolarHBondContact OD2-CB 3.39Å; D793-N828 PolarHBondContact OD2-N 2.79Å; D793-N828 VanDerWaalsContact OD2-N 3.09Å; D793-N828 PolarHBondContact OD2-ND2 2.9Å; Y798-N828 HydrophobicContact CE1-CB 4.1Å; Y798-N828 VanDerWaalsContact OH-CB 3.31Å; Y798-N828 WeakPolarHBondContact OH-CB 3.38Å; N828-I847 HydrophobicContact CB-CG2 3.87Å; N828-L848 WeakPolarHBondContact CA-O 3.41Å
829	V	91.9	Very high	88.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.4	165.5	177.6	0	0	0	0	109.2	L770 M772 V790 V792 I831 L848 L850	L770-V829 HydrophobicContact CD2-CG2 3.89Å; M772-V829 HydrophobicContact SD-CG1 4.22Å; V790-V829 HydrophobicContact CG1-CG1 3.6Å; V792-V829 HydrophobicContact CG1-CG2 4.5Å; V792-V829 HydrophobicContact CG2-CG2 4.31Å; V829-I831 HydrophobicContact CG1-CG1 4.19Å; V829-L848 PolarHBondContact N-O 3.1Å; V829-L848 PolarHBondContact O-N 2.94Å; V829-L850 HydrophobicContact CG2-CD1 3.96Å; V829-L850 HydrophobicContact CG2-CD2 3.81Å; V829-L850 HydrophobicContact CG2-CG 4.09Å
830	R	93.3	Very high	87.9	Confident	8 Å²	8	40.2 Å²	40.2	3%	0.03	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.2	174.2	-177.9	167.8	74.2	-164.1	13	109.7	S706 E791 Y798 L832 H846 I847	S706-R830 PolarHBondContact OG-NH2 2.73Å; E791-R830 HydrophobicContact CB-CB 4.45Å; E791-R830 PolarHBondContact N-O 2.91Å; E791-R830 PolarHBondContact O-N 3.44Å; E791-R830 IonicContact OE2-CZ 3.97Å; E791-R830 IonicContact OE2-NE 3.45Å; E791-R830 PolarHBondContact OE2-NE 3.05Å; E791-R830 VanDerWaalsContact OE2-NE 3.12Å; E791-R830 IonicContact OE2-NH2 2.66Å; E791-R830 PolarHBondContact OE2-NH2 3.28Å; Y798-R830 VanDerWaalsContact CB-CZ 3.45Å; Y798-R830 HydrophobicContact CD1-CB 3.62Å; Y798-R830 HydrophobicContact CE1-CB 3.52Å; Y798-R830 VanDerWaalsContact CG-NH1 3.32Å; R830-L832 HydrophobicContact CG-CD2 3.86Å; R830-L832 HydrophobicContact CG-CG 4.06Å; R830-H846 WeakPolarHBondContact CA-O 3.25Å; R830-I847 HydrophobicContact CB-CG1 4.46Å; R830-I847 HydrophobicContact CG-CG1 4.28Å
831	I	95.3	Very high	87.6	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.5	177.5	-53.9	175.7	0	0	0	107.4	M772 I788 V829 K845 H846 I864 L872	M772-I831 HydrophobicContact CE-CD1 3.6Å; M772-I831 HydrophobicContact CE-CG1 4.04Å; I788-I831 HydrophobicContact CG2-CG2 3.71Å; V829-I831 HydrophobicContact CG1-CG1 4.19Å; I831-K845 WeakPolarHBondContact O-CA 3.43Å; I831-H846 PolarHBondContact N-O 2.99Å; I831-H846 PolarHBondContact O-N 1.97Å; I831-I864 HydrophobicContact CD1-CD1 3.5Å; I831-L872 HydrophobicContact CG2-CD2 3.93Å
832	L	94.8	Very high	87.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	115.1	-178.1	-60.1	177.1	0	0	0	109.9	F708 I788 C789 E791 R830 Y834 L842 K845	F708-L832 HydrophobicContact CB-CD1 3.66Å; F708-L832 HydrophobicContact CD2-CD1 4.16Å; F708-L832 HydrophobicContact CD2-CD2 3.98Å; F708-L832 HydrophobicContact CE2-CD2 4.29Å; F708-L832 HydrophobicContact CG-CD1 3.96Å; F708-L832 HydrophobicContact CG-CD2 4.33Å; I788-L832 WeakPolarHBondContact CA-O 3.2Å; C789-L832 HydrophobicContact CB-CB 4.24Å; C789-L832 PolarHBondContact N-O 2.69Å; C789-L832 PolarHBondContact O-N 3.43Å; E791-L832 HydrophobicContact CG-CD1 4.35Å; E791-L832 VanDerWaalsContact OE2-CD1 3.26Å; E791-L832 WeakPolarHBondContact OE2-CD1 3.42Å; R830-L832 HydrophobicContact CG-CD2 3.86Å; R830-L832 HydrophobicContact CG-CG 4.06Å; L832-Y834 HydrophobicContact CB-CD2 4.04Å; L832-Y834 HydrophobicContact CB-CE2 3.57Å; L832-Y834 HydrophobicContact CD1-CE2 3.92Å; L832-Y834 HydrophobicContact CG-CE2 4.4Å; L832-L842 HydrophobicContact CB-CD1 3.79Å; L832-L842 HydrophobicContact CD2-CD1 3.91Å; L832-L842 HydrophobicContact CG-CD1 4.35Å; L832-K845 HydrophobicContact CD2-CB 3.9Å; L832-K845 HydrophobicContact CD2-CD 4.48Å; L832-K845 HydrophobicContact CD2-CG 3.77Å
833	L	94.3	Very high	87.4	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.5	174.5	178.6	68	0	0	0	109.3	L777 L786 I788 W815 K843 A844 L866 L870	L777-L833 HydrophobicContact CD2-CD1 3.88Å; L777-L833 HydrophobicContact CD2-CD2 3.55Å; L777-L833 HydrophobicContact CD2-CG 4.38Å; L786-L833 HydrophobicContact CB-CD1 4.34Å; L786-L833 HydrophobicContact CD2-CD1 4.3Å; L786-L833 HydrophobicContact CD2-CG 4.43Å; I788-L833 HydrophobicContact CD1-CD1 4.36Å; I788-L833 HydrophobicContact CG1-CD1 3.76Å; W815-L833 HydrophobicContact CH2-CD1 4.24Å; L833-K843 HydrophobicContact CD2-CB 4.05Å; L833-K843 HydrophobicContact CG-CB 4.17Å; L833-K843 PolarHBondContact O-N 3.26Å; L833-A844 HydrophobicContact CB-CB 4.24Å; L833-A844 HydrophobicContact CD2-CB 4.35Å; L833-A844 PolarHBondContact N-O 3.39Å; L833-A844 PolarHBondContact O-N 3.1Å; L833-L866 HydrophobicContact CB-CD1 4.26Å; L833-L866 HydrophobicContact CD2-CD1 4.16Å; L833-L870 HydrophobicContact CD2-CD1 4.04Å
834	Y	93.5	Very high	87.6	Confident	17 Å²	17	42.1 Å²	42.1	7%	0.067	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	140.2	-180	-78.5	-80.7	0	0	0	112	L786 Y787 C789 L832 P840 L841 L842	L786-Y834 WeakPolarHBondContact CA-O 3.32Å; Y787-Y834 VanDerWaalsContact CE1-CB 3.45Å; Y787-Y834 HydrophobicContact CE1-CG 4.45Å; Y787-Y834 HydrophobicContact CE2-CD2 4.2Å; Y787-Y834 HydrophobicContact CE2-CG 4.28Å; Y787-Y834 VanDerWaalsContact CZ-CB 3.41Å; Y787-Y834 AromaticContact CZ-CG 3.95Å; Y787-Y834 PolarHBondContact N-O 3.22Å; Y787-Y834 PolarHBondContact O-N 2.99Å; C789-Y834 HydrophobicContact CB-CD2 4.28Å; C789-Y834 HydrophobicContact CB-CE2 4.16Å; L832-Y834 HydrophobicContact CB-CD2 4.04Å; L832-Y834 HydrophobicContact CB-CE2 3.57Å; L832-Y834 HydrophobicContact CD1-CE2 3.92Å; L832-Y834 HydrophobicContact CG-CE2 4.4Å; Y834-P840 HydrophobicContact CD1-CB 3.97Å; Y834-L841 WeakPolarHBondContact CA-O 3.47Å; Y834-L842 HydrophobicContact CD1-CB 4.28Å; Y834-L842 HydrophobicContact CD1-CD1 4.25Å; Y834-L842 HydrophobicContact CD2-CD1 4.31Å; Y834-L842 HydrophobicContact CE1-CB 3.97Å; Y834-L842 HydrophobicContact CE1-CD1 3.93Å; Y834-L842 HydrophobicContact CE2-CD1 4Å; Y834-L842 HydrophobicContact CG-CD1 4.43Å
835	E	91.9	Very high	88	Confident	15 Å²	15	46.2 Å²	46.2	7%	0.07	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.7	165.4	-172.3	-172.5	167.7	0	0	109.6	N784 D785 L786 K837 L841 K843	N784-E835 HydrophobicContact CB-CG 4.49Å; N784-E835 PolarHBondContact OD1-OE1 3.33Å; N784-E835 VanDerWaalsContact OD1-OE1 3.11Å; D785-E835 CarbonylContact O-C 3.59Å; D785-E835 WeakPolarHBondContact O-CA 3.28Å; L786-E835 HydrophobicContact CD2-CB 4.07Å; L786-E835 HydrophobicContact CD2-CG 4.45Å; E835-K837 PolarHBondContact O-N 2.97Å; E835-K837 WeakPolarHBondContact OE1-CE 3.35Å; E835-K837 IonicContact OE1-NZ 2.72Å; E835-K837 PolarHBondContact OE1-NZ 3.38Å; E835-K837 IonicContact OE2-NZ 2.67Å; E835-K837 PolarHBondContact OE2-NZ 3.01Å; E835-L841 HydrophobicContact CB-CB 4.39Å; E835-L841 PolarHBondContact N-O 2.99Å; E835-L841 PolarHBondContact O-N 3.46Å; E835-K843 HydrophobicContact CB-CD 3.87Å; E835-K843 HydrophobicContact CB-CG 3.72Å; E835-K843 WeakPolarHBondContact OE2-CD 3.44Å; E835-K843 IonicContact OE2-NZ 3.76Å; E835-K843 PolarHBondContact OE2-NZ 2.88Å
836	A	88.6	Confident	88.8	Confident	34 Å²	34	48.5 Å²	48.5	28%	0.281	23%	0.233	S	C	.	.			trans	-79.2	102.2	-177.2	0	0	0	0	0	111.2	D785 Y787 K806	D785-A836 HydrophobicContact CB-CB 4.24Å; D785-A836 PolarHBondContact O-N 2.87Å; Y787-A836 HydrophobicContact CD1-CB 4.33Å; Y787-A836 HydrophobicContact CE1-CB 4.23Å; K806-A836 HydrophobicContact CD-CB 3.46Å; K806-A836 VanDerWaalsContact CD-CB 3.46Å; K806-A836 HydrophobicContact CG-CB 4.34Å
837	K	84.9	Confident	89.1	Confident	109 Å²	109	51.5 Å²	51.5	47%	0.474	25%	0.248	S	C	.	.	S	Bend	trans	-127.9	173.9	171.7	-76	167.3	169.1	155	0	108.4	E835 R839 L841	E835-K837 PolarHBondContact O-N 2.97Å; E835-K837 WeakPolarHBondContact OE1-CE 3.35Å; E835-K837 IonicContact OE1-NZ 2.72Å; E835-K837 PolarHBondContact OE1-NZ 3.38Å; E835-K837 IonicContact OE2-NZ 2.67Å; E835-K837 PolarHBondContact OE2-NZ 3.01Å; K837-R839 CarbonylContact O-C 3.55Å; K837-R839 PolarHBondContact O-N 3.34Å; K837-R839 VanDerWaalsContact O-N 3.16Å; K837-L841 HydrophobicContact CD-CB 4.44Å
838	E	77.8	Confident	89.5	Confident	211 Å²	211	50 Å²	50	99%	0.986	24%	0.242	S	C	*	.	S	Bend	trans	-49.5	-41.1	177.9	-62.1	-178.9	154.9	0	0	112.6
839	R	77.2	Confident	89.6	Confident	118 Å²	118	56.2 Å²	56.2	45%	0.445	27%	0.268	S	S	.	.	S	Bend	trans	-109.8	116.2	160.3	-176.8	169.1	172.1	135.5	-9.6	107.7	E621 D715 K837 L841	E621-R839 IonicContact OE1-CZ 3.49Å; E621-R839 IonicContact OE1-NH1 3.58Å; E621-R839 PolarHBondContact OE1-NH1 2.99Å; E621-R839 IonicContact OE1-NH2 3.99Å; E621-R839 IonicContact OE2-NH1 3.92Å; D715-R839 IonicContact OD1-CZ 2.79Å; D715-R839 IonicContact OD1-NH2 3.55Å; D715-R839 PolarHBondContact OD1-NH2 3.43Å; K837-R839 CarbonylContact O-C 3.55Å; K837-R839 PolarHBondContact O-N 3.34Å; K837-R839 VanDerWaalsContact O-N 3.16Å; R839-L841 PolarHBondContact O-N 2.96Å
840	P	84.8	Confident	89.3	Confident	60 Å²	60	56.7 Å²	56.7	39%	0.39	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-57.6	126	-177.9	-28.5	35.7	0	0	0	112.9	Y787 Y834	Y787-P840 WeakPolarHBondContact OH-CB 3.39Å; Y834-P840 HydrophobicContact CD1-CB 3.97Å
841	L	86.8	Confident	88.9	Confident	84 Å²	84	56.9 Å²	56.9	44%	0.44	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.5	-176.9	178.4	63.4	0	0	0	109.9	Y834 E835 K837 R839 K843	Y834-L841 WeakPolarHBondContact CA-O 3.47Å; E835-L841 HydrophobicContact CB-CB 4.39Å; E835-L841 PolarHBondContact N-O 2.99Å; E835-L841 PolarHBondContact O-N 3.46Å; K837-L841 HydrophobicContact CD-CB 4.44Å; R839-L841 PolarHBondContact O-N 2.96Å; L841-K843 PolarHBondContact O-N 3.25Å
842	L	90.3	Very high	88.3	Confident	50 Å²	50	61.2 Å²	61.2	26%	0.262	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	121.8	173.5	-173.4	75.4	0	0	0	109.9	F708 L832 Y834 A844 K845	F708-L842 HydrophobicContact CD2-CD2 3.86Å; F708-L842 HydrophobicContact CE2-CD2 3.54Å; L832-L842 HydrophobicContact CB-CD1 3.79Å; L832-L842 HydrophobicContact CD2-CD1 3.91Å; L832-L842 HydrophobicContact CG-CD1 4.35Å; Y834-L842 HydrophobicContact CD1-CB 4.28Å; Y834-L842 HydrophobicContact CD1-CD1 4.25Å; Y834-L842 HydrophobicContact CD2-CD1 4.31Å; Y834-L842 HydrophobicContact CE1-CB 3.97Å; Y834-L842 HydrophobicContact CE1-CD1 3.93Å; Y834-L842 HydrophobicContact CE2-CD1 4Å; Y834-L842 HydrophobicContact CG-CD1 4.43Å; L842-A844 WeakPolarHBondContact CD1-O 3.35Å; L842-K845 HydrophobicContact CD2-CB 4.4Å
843	K	89.3	Confident	87.7	Confident	78 Å²	78	66.1 Å²	66.1	34%	0.339	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-39.4	178.2	-61.3	-70.1	-86.7	-149.8	0	112.3	L786 L833 E835 L841	L786-K843 HydrophobicContact CD2-CG 4.2Å; L833-K843 HydrophobicContact CD2-CB 4.05Å; L833-K843 HydrophobicContact CG-CB 4.17Å; L833-K843 PolarHBondContact O-N 3.26Å; E835-K843 HydrophobicContact CB-CD 3.87Å; E835-K843 HydrophobicContact CB-CG 3.72Å; E835-K843 WeakPolarHBondContact OE2-CD 3.44Å; E835-K843 IonicContact OE2-NZ 3.76Å; E835-K843 PolarHBondContact OE2-NZ 2.88Å; L841-K843 PolarHBondContact O-N 3.25Å
844	A	90.6	Very high	87.3	Confident	8 Å²	8	68.6 Å²	68.6	7%	0.066	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	156.7	178.9	0	0	0	0	0	111.8	L833 L842 L866 T867 L870	L833-A844 HydrophobicContact CB-CB 4.24Å; L833-A844 HydrophobicContact CD2-CB 4.35Å; L833-A844 PolarHBondContact N-O 3.39Å; L833-A844 PolarHBondContact O-N 3.1Å; L842-A844 WeakPolarHBondContact CD1-O 3.35Å; A844-L866 HydrophobicContact CB-CB 3.77Å; A844-L866 HydrophobicContact CB-CD1 4.46Å; A844-T867 HydrophobicContact CB-CG2 3.94Å; A844-L870 HydrophobicContact CB-CD1 4.4Å
845	K	92.1	Very high	87	Confident	97 Å²	97	68.3 Å²	68.3	42%	0.422	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.4	178.1	167.8	-167.2	171.5	-160.1	0	108.5	F708 I831 L832 L842	F708-K845 HydrophobicContact CE1-CD 4.47Å; F708-K845 HydrophobicContact CE2-CD 4.2Å; F708-K845 HydrophobicContact CZ-CD 3.76Å; I831-K845 WeakPolarHBondContact O-CA 3.43Å; L832-K845 HydrophobicContact CD2-CB 3.9Å; L832-K845 HydrophobicContact CD2-CD 4.48Å; L832-K845 HydrophobicContact CD2-CG 3.77Å; L842-K845 HydrophobicContact CD2-CB 4.4Å
846	H	93.1	Very high	86.7	Confident	54 Å²	54	70.1 Å²	70.1	25%	0.25	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.1	167.8	-168.9	100.3	0	0	0	109.6	R830 I831 I864 K865 L866	R830-H846 WeakPolarHBondContact CA-O 3.25Å; I831-H846 PolarHBondContact N-O 2.99Å; I831-H846 PolarHBondContact O-N 1.97Å; H846-I864 HydrophobicContact CB-CG2 4.06Å; H846-I864 VanDerWaalsContact CG-CG2 3.44Å; H846-K865 PolarHBondContact ND1-O 3.46Å; H846-L866 HydrophobicContact CB-CD2 3.65Å
847	I	91.5	Very high	86.7	Confident	64 Å²	64	74.5 Å²	74.5	33%	0.328	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	106.7	170.1	-60.2	179.6	0	0	0	107.4	N828 R830	N828-I847 HydrophobicContact CB-CG2 3.87Å; R830-I847 HydrophobicContact CB-CG1 4.46Å; R830-I847 HydrophobicContact CG-CG1 4.28Å
848	L	90.2	Very high	86.8	Confident	13 Å²	13	73.6 Å²	73.6	7%	0.068	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	113.9	177.8	177.4	60.9	0	0	0	109	N828 V829 L850 W854 I864 F876	N828-L848 WeakPolarHBondContact CA-O 3.41Å; V829-L848 PolarHBondContact N-O 3.1Å; V829-L848 PolarHBondContact O-N 2.94Å; L848-L850 PolarHBondContact O-N 3.31Å; L848-W854 HydrophobicContact CD1-CH2 4.36Å; L848-W854 HydrophobicContact CD1-CZ2 4.07Å; L848-W854 HydrophobicContact CD2-CH2 3.86Å; L848-W854 HydrophobicContact CD2-CZ2 4.21Å; L848-W854 HydrophobicContact CG-CH2 4.29Å; L848-W854 HydrophobicContact CG-CZ2 4.13Å; L848-I864 HydrophobicContact CD2-CD1 4.06Å; L848-F876 HydrophobicContact CD2-CE1 3.73Å; L848-F876 HydrophobicContact CD2-CE2 3.74Å; L848-F876 HydrophobicContact CD2-CZ 3.27Å
849	K	88.9	Confident	87.5	Confident	160 Å²	160	67.6 Å²	67.6	70%	0.696	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	128.5	168.6	-73	-171.8	172.4	-168.9	0	110.3	W854	K849-W854 WeakPolarHBondContact O-CZ2 3.31Å; K849-W854 PolarHBondContact O-NE1 2.85Å
850	L	86.7	Confident	88	Confident	10 Å²	10	65.5 Å²	65.5	5%	0.052	34%	0.342	C	S	.	.			trans	-86.4	141.1	170	-57	179.9	0	0	0	109.1	L766 L770 L823 Q827 V829 L848 W854 L855	L766-L850 HydrophobicContact CD1-CB 3.34Å; L766-L850 HydrophobicContact CD1-CD1 3.99Å; L766-L850 HydrophobicContact CD1-CG 4.31Å; L770-L850 HydrophobicContact CD2-CD1 4.15Å; L770-L850 HydrophobicContact CD2-CD2 3.76Å; L823-L850 HydrophobicContact CD1-CD1 3.8Å; L823-L850 HydrophobicContact CD2-CD1 4.09Å; Q827-L850 PolarHBondContact O-N 2.85Å; V829-L850 HydrophobicContact CG2-CD1 3.96Å; V829-L850 HydrophobicContact CG2-CD2 3.81Å; V829-L850 HydrophobicContact CG2-CG 4.09Å; L848-L850 PolarHBondContact O-N 3.31Å; L850-W854 HydrophobicContact CD2-CZ2 4.26Å; L850-L855 HydrophobicContact CB-CD1 3.77Å; L850-L855 HydrophobicContact CD2-CD1 3.95Å; L850-L855 HydrophobicContact CG-CD1 4.38Å
851	S	84.7	Confident	88.3	Confident	12 Å²	12	67.8 Å²	67.8	8%	0.084	36%	0.356	C	S	.	.			trans	-157.7	146.5	173.6	165.4	0	0	0	0	109.1	E763 S853 W854 L855	E763-S851 VanDerWaalsContact CD-OG 3.25Å; E763-S851 PolarHBondContact OE1-OG 2.89Å; E763-S851 WeakPolarHBondContact OE2-CA 3.37Å; E763-S851 VanDerWaalsContact OE2-CB 3.25Å; E763-S851 WeakPolarHBondContact OE2-CB 3.45Å; E763-S851 PolarHBondContact OE2-OG 3.48Å; S851-S853 WeakPolarHBondContact CB-OG 3.44Å; S851-S853 PolarHBondContact O-N 3.17Å; S851-S853 WeakPolarHBondContact OG-CB 3.49Å; S851-S853 PolarHBondContact OG-N 3.45Å; S851-S853 PolarHBondContact OG-OG 2.91Å; S851-W854 PolarHBondContact O-N 2.96Å; S851-L855 WeakPolarHBondContact O-CB 3.48Å; S851-L855 WeakPolarHBondContact O-CG 3.18Å; S851-L855 PolarHBondContact O-N 2.83Å
852	L	82.2	Confident	88.5	Confident	90 Å²	90	66.8 Å²	66.8	47%	0.471	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-17	176.6	-64.5	176.7	0	0	0	112.9	L766 W854 F878	L766-L852 HydrophobicContact CD2-CD1 4.48Å; L766-L852 HydrophobicContact CD2-CD2 3.46Å; L766-L852 VanDerWaalsContact CD2-CD2 3.46Å; L766-L852 HydrophobicContact CD2-CG 3.74Å; L852-W854 PolarHBondContact O-N 3.18Å; L852-F878 HydrophobicContact CD2-CD1 4.21Å; L852-F878 HydrophobicContact CD2-CE1 3.79Å
853	S	82.8	Confident	88.6	Confident	103 Å²	103	67.7 Å²	67.7	72%	0.72	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.8	176.1	57	0	0	0	0	114.6	S851	S851-S853 WeakPolarHBondContact CB-OG 3.44Å; S851-S853 PolarHBondContact O-N 3.17Å; S851-S853 WeakPolarHBondContact OG-CB 3.49Å; S851-S853 PolarHBondContact OG-N 3.45Å; S851-S853 PolarHBondContact OG-OG 2.91Å
854	W	85.8	Confident	88.8	Confident	54 Å²	54	64.2 Å²	64.2	21%	0.205	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	-8	-178	71.1	-89.5	0	0	0	114.6	L848 K849 L850 S851 L852 K862 F876	L848-W854 HydrophobicContact CD1-CH2 4.36Å; L848-W854 HydrophobicContact CD1-CZ2 4.07Å; L848-W854 HydrophobicContact CD2-CH2 3.86Å; L848-W854 HydrophobicContact CD2-CZ2 4.21Å; L848-W854 HydrophobicContact CG-CH2 4.29Å; L848-W854 HydrophobicContact CG-CZ2 4.13Å; K849-W854 WeakPolarHBondContact O-CZ2 3.31Å; K849-W854 PolarHBondContact O-NE1 2.85Å; L850-W854 HydrophobicContact CD2-CZ2 4.26Å; S851-W854 PolarHBondContact O-N 2.96Å; L852-W854 PolarHBondContact O-N 3.18Å; W854-K862 HydrophobicContact CE3-CD 3.97Å; W854-K862 HydrophobicContact CH2-CD 3.92Å; W854-K862 VanDerWaalsContact CZ2-NZ 3.3Å; W854-K862 HydrophobicContact CZ3-CD 3.53Å; W854-F876 HydrophobicContact CH2-CB 4.34Å; W854-F876 HydrophobicContact CH2-CD1 4.38Å; W854-F876 HydrophobicContact CH2-CD2 4.06Å; W854-F876 AromaticContact CH2-CG 3.99Å; W854-F876 HydrophobicContact CH2-CG 3.99Å; W854-F876 HydrophobicContact CZ3-CB 3.89Å; W854-F876 AromaticContact CZ3-CD2 3.88Å; W854-F876 HydrophobicContact CZ3-CD2 3.88Å; W854-F876 AromaticContact CZ3-CG 3.91Å; W854-F876 HydrophobicContact CZ3-CG 3.91Å
855	L	86.3	Confident	88.8	Confident	11 Å²	11	70.3 Å²	70.3	6%	0.058	37%	0.369	C	S	.	.			trans	-90.9	102.3	178.4	-74.3	173	0	0	0	111	L766 L770 L850 S851 F876 F878	L766-L855 HydrophobicContact CD1-CD1 3.84Å; L770-L855 HydrophobicContact CD1-CD2 3.79Å; L850-L855 HydrophobicContact CB-CD1 3.77Å; L850-L855 HydrophobicContact CD2-CD1 3.95Å; L850-L855 HydrophobicContact CG-CD1 4.38Å; S851-L855 WeakPolarHBondContact O-CB 3.48Å; S851-L855 WeakPolarHBondContact O-CG 3.18Å; S851-L855 PolarHBondContact O-N 2.83Å; L855-F876 HydrophobicContact CD2-CB 4.2Å; L855-F878 HydrophobicContact CB-CB 3.88Å; L855-F878 HydrophobicContact CB-CD1 4.31Å; L855-F878 HydrophobicContact CB-CG 4.37Å; L855-F878 HydrophobicContact CD2-CB 4.36Å
856	T	86.9	Confident	88.6	Confident	52 Å²	52	66.3 Å²	66.3	32%	0.319	35%	0.353	S	S	.	.			trans	-107.3	160.7	-178	51.3	0	0	0	0	113.1	T858 Q860 F878	T856-T858 PolarHBondContact O-N 2.82Å; T856-T858 PolarHBondContact OG1-O 3.48Å; T856-T858 PolarHBondContact OG1-OG1 2.92Å; T856-T858 VanDerWaalsContact OG1-OG1 3.11Å; T856-Q860 VanDerWaalsContact OG1-CG 3.3Å; T856-Q860 WeakPolarHBondContact OG1-CG 2.4Å; T856-Q860 PolarHBondContact OG1-NE2 3.36Å; T856-F878 CarbonylContact C-O 3.45Å; T856-F878 PolarHBondContact O-N 2.69Å
857	E	87.9	Confident	88.3	Confident	127 Å²	127	66.4 Å²	66.4	59%	0.593	36%	0.357	S	S	*	.	S	Bend	trans	-67.2	-13.4	168.2	-68.5	178.6	-157.1	0	0	113.4	R877 F878	E857-R877 WeakPolarHBondContact O-CG 3.11Å; E857-R877 PolarHBondContact O-NE 3.22Å; E857-F878 WeakPolarHBondContact CA-O 3.3Å; E857-F878 PolarHBondContact N-O 3.3Å
858	T	88.3	Confident	87.7	Confident	90 Å²	90	72.4 Å²	72.4	55%	0.552	38%	0.383	S	S	*	.	S	Bend	trans	-91	144.7	167.2	49.2	0	0	0	0	110.8	T856 Q860	T856-T858 PolarHBondContact O-N 2.82Å; T856-T858 PolarHBondContact OG1-O 3.48Å; T856-T858 PolarHBondContact OG1-OG1 2.92Å; T856-T858 VanDerWaalsContact OG1-OG1 3.11Å; T858-Q860 PolarHBondContact O-N 3.23Å; T858-Q860 PolarHBondContact OG1-NE2 3.22Å
859	T	90.8	Very high	87.4	Confident	84 Å²	84	75.7 Å²	75.7	52%	0.515	40%	0.404	S	S	.	.			trans	-73.9	113.9	-178.6	-52.3	0	0	0	0	111.6	F876	T859-F876 WeakPolarHBondContact CA-O 3.31Å
860	Q	87.8	Confident	87.4	Confident	75 Å²	75	68.7 Å²	68.7	35%	0.35	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.1	176.8	-56.6	-59.3	-19.7	0	0	110.8	T856 T858 S875 F876	T856-Q860 VanDerWaalsContact OG1-CG 3.3Å; T856-Q860 WeakPolarHBondContact OG1-CG 2.4Å; T856-Q860 PolarHBondContact OG1-NE2 3.36Å; T858-Q860 PolarHBondContact O-N 3.23Å; T858-Q860 PolarHBondContact OG1-NE2 3.22Å; Q860-S875 CarbonylContact O-C 3.56Å; Q860-S875 WeakPolarHBondContact O-CA 3.38Å; Q860-F876 PolarHBondContact N-O 3.31Å; Q860-F876 PolarHBondContact O-N 3.48Å
861	P	91.8	Very high	87.7	Confident	107 Å²	107	71.1 Å²	71.1	70%	0.695	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	142.6	166.9	31.1	-33.2	0	0	0	109.8
862	K	90.8	Very high	88.2	Confident	64 Å²	64	70.5 Å²	70.5	28%	0.278	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	115.8	-178	-168.2	164.6	-172.8	164.6	0	110.1	W854 C874 F876	W854-K862 HydrophobicContact CE3-CD 3.97Å; W854-K862 HydrophobicContact CH2-CD 3.92Å; W854-K862 VanDerWaalsContact CZ2-NZ 3.3Å; W854-K862 HydrophobicContact CZ3-CD 3.53Å; K862-C874 PolarHBondContact N-O 2.95Å; K862-C874 CarbonylContact O-C 3.59Å; K862-C874 PolarHBondContact O-N 3.47Å; K862-F876 HydrophobicContact CB-CD2 3.92Å; K862-F876 HydrophobicContact CB-CE2 3.99Å; K862-F876 HydrophobicContact CD-CD2 4.2Å; K862-F876 HydrophobicContact CD-CE2 4.24Å; K862-F876 HydrophobicContact CG-CE2 4.48Å
863	S	91.9	Very high	88.8	Confident	69 Å²	69	67.4 Å²	67.4	48%	0.483	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.3	174.4	-157.2	0	0	0	0	110.3	E871	S863-E871 VanDerWaalsContact CB-OE1 3.29Å; S863-E871 WeakPolarHBondContact CB-OE1 3.47Å; S863-E871 VanDerWaalsContact OG-CD 3.26Å; S863-E871 WeakPolarHBondContact OG-CG 3.33Å; S863-E871 PolarHBondContact OG-OE1 2.92Å
864	I	93.3	Very high	89.5	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.026	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	107.9	-172.9	-56.7	-176.4	0	0	0	109.2	I831 H846 L848 L866 L872 C874 F876	I831-I864 HydrophobicContact CD1-CD1 3.5Å; H846-I864 HydrophobicContact CB-CG2 4.06Å; H846-I864 VanDerWaalsContact CG-CG2 3.44Å; L848-I864 HydrophobicContact CD2-CD1 4.06Å; I864-L866 HydrophobicContact CG2-CD2 3.97Å; I864-L866 PolarHBondContact O-N 3.01Å; I864-L872 HydrophobicContact CB-CB 4.46Å; I864-L872 PolarHBondContact N-O 3.06Å; I864-L872 PolarHBondContact O-N 3.19Å; I864-C874 HydrophobicContact CD1-CB 3.93Å; I864-C874 HydrophobicContact CG1-CB 4.41Å; I864-F876 HydrophobicContact CD1-CE2 3.99Å; I864-F876 HydrophobicContact CD1-CZ 3.9Å
865	K	90.9	Very high	89.9	Confident	135 Å²	135	60.5 Å²	60.5	59%	0.587	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	118.2	172.7	-63.1	179.9	-172.1	-82.2	0	109.5	H846 E871	H846-K865 PolarHBondContact ND1-O 3.46Å; K865-E871 WeakPolarHBondContact CE-OE2 3.32Å; K865-E871 HydrophobicContact CG-CG 4.17Å; K865-E871 IonicContact NZ-OE1 3.93Å; K865-E871 IonicContact NZ-OE2 2.64Å; K865-E871 PolarHBondContact NZ-OE2 2.71Å
866	L	88.5	Confident	90.3	Very high	14 Å²	14	60.1 Å²	60.1	7%	0.073	33%	0.329	C	S	.	.	S	Bend	trans	-93.9	-30.3	-179.9	-59.1	-173.7	0	0	0	111.9	L777 L833 A844 H846 I864 L870 L872	L777-L866 HydrophobicContact CD1-CD1 3.89Å; L833-L866 HydrophobicContact CB-CD1 4.26Å; L833-L866 HydrophobicContact CD2-CD1 4.16Å; A844-L866 HydrophobicContact CB-CB 3.77Å; A844-L866 HydrophobicContact CB-CD1 4.46Å; H846-L866 HydrophobicContact CB-CD2 3.65Å; I864-L866 HydrophobicContact CG2-CD2 3.97Å; I864-L866 PolarHBondContact O-N 3.01Å; L866-L870 HydrophobicContact CB-CB 4.06Å; L866-L870 PolarHBondContact N-O 3.22Å; L866-L872 HydrophobicContact CD1-CB 3.94Å; L866-L872 HydrophobicContact CD1-CD2 4.3Å; L866-L872 HydrophobicContact CD2-CB 4.32Å; L866-L872 HydrophobicContact CD2-CD2 4.33Å; L866-L872 HydrophobicContact CG-CB 3.97Å
867	T	85.9	Confident	90.6	Very high	56 Å²	56	62.1 Å²	62.1	34%	0.344	33%	0.331	S	S	.	.	S	Bend	trans	-145	-172.1	169.1	66.8	0	0	0	0	108.9	A844 T869 L870	A844-T867 HydrophobicContact CB-CG2 3.94Å; T867-T869 PolarHBondContact O-N 3.47Å; T867-T869 PolarHBondContact OG1-N 3.18Å; T867-T869 PolarHBondContact OG1-OG1 2.73Å; T867-L870 HydrophobicContact CG2-CB 4.46Å; T867-L870 HydrophobicContact CG2-CD1 4.11Å; T867-L870 PolarHBondContact N-O 3.27Å; T867-L870 VanDerWaalsContact OG1-CB 3.3Å; T867-L870 WeakPolarHBondContact OG1-CB 3.5Å; T867-L870 WeakPolarHBondContact OG1-CG 3.21Å; T867-L870 PolarHBondContact OG1-N 3.22Å
868	E	78.9	Confident	90.8	Very high	189 Å²	189	56.4 Å²	56.4	88%	0.883	30%	0.304	S	S	*	.	S	Bend	trans	-61.5	-27.5	170.8	-60.2	-175.3	151.2	0	0	113.2
869	T	83.8	Confident	90.9	Very high	82 Å²	82	54.8 Å²	54.8	50%	0.503	29%	0.291	S	S	.	.	S	Bend	trans	-106.4	-32.4	-178.1	51.1	0	0	0	0	113.7	G779 T867	G779-T869 WeakPolarHBondContact CA-O 3.32Å; T867-T869 PolarHBondContact O-N 3.47Å; T867-T869 PolarHBondContact OG1-N 3.18Å; T867-T869 PolarHBondContact OG1-OG1 2.73Å
870	L	90.6	Very high	90.5	Very high	14 Å²	14	53.7 Å²	53.7	7%	0.073	29%	0.285	C	S	.	.			trans	-92.8	124.1	-171.5	-66.8	178.4	0	0	0	112.3	L777 E778 L780 L833 A844 L866 T867	L777-L870 HydrophobicContact CD1-CB 4.09Å; L777-L870 HydrophobicContact CD1-CD2 4.3Å; E778-L870 WeakPolarHBondContact O-CA 3.2Å; L780-L870 HydrophobicContact CB-CD2 4.44Å; L780-L870 HydrophobicContact CD2-CD2 3.64Å; L780-L870 HydrophobicContact CG-CD2 3.72Å; L833-L870 HydrophobicContact CD2-CD1 4.04Å; A844-L870 HydrophobicContact CB-CD1 4.4Å; L866-L870 HydrophobicContact CB-CB 4.06Å; L866-L870 PolarHBondContact N-O 3.22Å; T867-L870 HydrophobicContact CG2-CB 4.46Å; T867-L870 HydrophobicContact CG2-CD1 4.11Å; T867-L870 PolarHBondContact N-O 3.27Å; T867-L870 VanDerWaalsContact OG1-CB 3.3Å; T867-L870 WeakPolarHBondContact OG1-CB 3.5Å; T867-L870 WeakPolarHBondContact OG1-CG 3.21Å; T867-L870 PolarHBondContact OG1-N 3.22Å
871	E	92.9	Very high	89.9	Confident	60 Å²	60	52 Å²	52	28%	0.28	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125	-179.5	-172.4	155.3	173.8	0	0	111.6	L777 E778 S863 K865	L777-E871 WeakPolarHBondContact CA-O 3.42Å; E778-E871 PolarHBondContact N-O 2.73Å; E778-E871 PolarHBondContact O-N 3.06Å; S863-E871 VanDerWaalsContact CB-OE1 3.29Å; S863-E871 WeakPolarHBondContact CB-OE1 3.47Å; S863-E871 VanDerWaalsContact OG-CD 3.26Å; S863-E871 WeakPolarHBondContact OG-CG 3.33Å; S863-E871 PolarHBondContact OG-OE1 2.92Å; K865-E871 WeakPolarHBondContact CE-OE2 3.32Å; K865-E871 HydrophobicContact CG-CG 4.17Å; K865-E871 IonicContact NZ-OE1 3.93Å; K865-E871 IonicContact NZ-OE2 2.64Å; K865-E871 PolarHBondContact NZ-OE2 2.71Å
872	L	95.2	Very high	88.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.1	-172.3	-180	74.2	0	0	0	110.7	V774 L777 I788 W815 I831 I864 L866 C874	V774-L872 HydrophobicContact CG1-CD1 4.27Å; L777-L872 HydrophobicContact CB-CD1 4Å; L777-L872 HydrophobicContact CD1-CB 4.27Å; I788-L872 HydrophobicContact CD1-CD1 3.53Å; I788-L872 HydrophobicContact CD1-CD2 3.97Å; I788-L872 HydrophobicContact CD1-CG 4.44Å; W815-L872 HydrophobicContact CZ3-CD1 4.04Å; I831-L872 HydrophobicContact CG2-CD2 3.93Å; I864-L872 HydrophobicContact CB-CB 4.46Å; I864-L872 PolarHBondContact N-O 3.06Å; I864-L872 PolarHBondContact O-N 3.19Å; L866-L872 HydrophobicContact CD1-CB 3.94Å; L866-L872 HydrophobicContact CD1-CD2 4.3Å; L866-L872 HydrophobicContact CD2-CB 4.32Å; L866-L872 HydrophobicContact CD2-CD2 4.33Å; L866-L872 HydrophobicContact CG-CB 3.97Å; L872-C874 PolarHBondContact O-N 3.34Å
873	G	94.7	Very high	86.3	Confident	25 Å²	25	57 Å²	57	26%	0.258	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	116.3	170.6	0	0	0	0	0	111.5	H775 G776	H775-G873 WeakPolarHBondContact CB-O 3.39Å; H775-G873 PolarHBondContact N-O 2.98Å; G776-G873 PolarHBondContact O-N 2.84Å
874	C	95.9	Very high	83.8	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.014	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	170.1	172	-74.3	0	0	0	0	111.4	G773 H775 K862 I864 L872 F876	G773-C874 CarbonylContact O-C 3.59Å; G773-C874 WeakPolarHBondContact O-CA 3.4Å; G773-C874 WeakPolarHBondContact O-CB 3.48Å; H775-C874 VanDerWaalsContact NE2-C 3.35Å; K862-C874 PolarHBondContact N-O 2.95Å; K862-C874 CarbonylContact O-C 3.59Å; K862-C874 PolarHBondContact O-N 3.47Å; I864-C874 HydrophobicContact CD1-CB 3.93Å; I864-C874 HydrophobicContact CG1-CB 4.41Å; L872-C874 PolarHBondContact O-N 3.34Å; C874-F876 HydrophobicContact CB-CE2 3.61Å; C874-F876 HydrophobicContact CB-CZ 3.92Å
875	S	95.1	Very high	81.1	Confident	10 Å²	10	74.5 Å²	74.5	7%	0.07	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150.3	163.5	58.2	0	0	0	0	111.1	M772 G773 H775 Q860	M772-S875 CarbonylContact C-O 3.55Å; M772-S875 WeakPolarHBondContact CA-O 3.25Å; G773-S875 PolarHBondContact N-O 2.79Å; G773-S875 PolarHBondContact O-N 2.95Å; H775-S875 PolarHBondContact CE1-OG 2.89Å; H775-S875 WeakPolarHBondContact NE2-CA 3.48Å; H775-S875 WeakPolarHBondContact NE2-CB 3.23Å; H775-S875 PolarHBondContact NE2-N 3.47Å; H775-S875 PolarHBondContact NE2-OG 3.09Å; Q860-S875 CarbonylContact O-C 3.56Å; Q860-S875 WeakPolarHBondContact O-CA 3.38Å
876	F	94.7	Very high	78.3	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.009	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.2	-175.5	-61.6	-87.4	0	0	0	110.9	L770 Y771 M772 L848 W854 L855 T859 Q860 K862 I864 C874	L770-F876 HydrophobicContact CD1-CB 4.4Å; L770-F876 HydrophobicContact CD1-CD1 4.19Å; L770-F876 HydrophobicContact CD2-CD1 4.4Å; L770-F876 HydrophobicContact CG-CD1 4.5Å; Y771-F876 CarbonylContact O-C 3.51Å; Y771-F876 WeakPolarHBondContact O-CA 3.41Å; M772-F876 HydrophobicContact CB-CD1 4.27Å; M772-F876 HydrophobicContact CB-CE1 4.2Å; M772-F876 HydrophobicContact CE-CE1 4.01Å; M772-F876 HydrophobicContact CE-CZ 3.89Å; M772-F876 HydrophobicContact CG-CD1 4.08Å; M772-F876 HydrophobicContact CG-CE1 3.58Å; M772-F876 HydrophobicContact CG-CZ 4.16Å; M772-F876 HydrophobicContact SD-CE1 3.7Å; M772-F876 HydrophobicContact SD-CZ 4.22Å; L848-F876 HydrophobicContact CD2-CE1 3.73Å; L848-F876 HydrophobicContact CD2-CE2 3.74Å; L848-F876 HydrophobicContact CD2-CZ 3.27Å; W854-F876 HydrophobicContact CH2-CB 4.34Å; W854-F876 HydrophobicContact CH2-CD1 4.38Å; W854-F876 HydrophobicContact CH2-CD2 4.06Å; W854-F876 AromaticContact CH2-CG 3.99Å; W854-F876 HydrophobicContact CH2-CG 3.99Å; W854-F876 HydrophobicContact CZ3-CB 3.89Å; W854-F876 AromaticContact CZ3-CD2 3.88Å; W854-F876 HydrophobicContact CZ3-CD2 3.88Å; W854-F876 AromaticContact CZ3-CG 3.91Å; W854-F876 HydrophobicContact CZ3-CG 3.91Å; L855-F876 HydrophobicContact CD2-CB 4.2Å; T859-F876 WeakPolarHBondContact CA-O 3.31Å; Q860-F876 PolarHBondContact N-O 3.31Å; Q860-F876 PolarHBondContact O-N 3.48Å; K862-F876 HydrophobicContact CB-CD2 3.92Å; K862-F876 HydrophobicContact CB-CE2 3.99Å; K862-F876 HydrophobicContact CD-CD2 4.2Å; K862-F876 HydrophobicContact CD-CE2 4.24Å; K862-F876 HydrophobicContact CG-CE2 4.48Å; I864-F876 HydrophobicContact CD1-CE2 3.99Å; I864-F876 HydrophobicContact CD1-CZ 3.9Å; C874-F876 HydrophobicContact CB-CE2 3.61Å; C874-F876 HydrophobicContact CB-CZ 3.92Å
877	R	93.7	Very high	75.9	Confident	95 Å²	95	76 Å²	76	36%	0.358	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	126.1	170.3	177.5	-171.5	-174.3	-149.1	-3.8	107.5	Y771 E857	Y771-R877 PolarHBondContact N-O 2.83Å; Y771-R877 PolarHBondContact O-N 3.12Å; E857-R877 WeakPolarHBondContact O-CG 3.11Å; E857-R877 PolarHBondContact O-NE 3.22Å
878	F	92	Very high	73.5	Confident	6 Å²	6	79 Å²	79	3%	0.026	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.4	179	177.1	-122.8	0	0	0	110.1	L766 L770 L823 L852 L855 T856 E857 P880	L766-F878 HydrophobicContact CD2-CE1 4.32Å; L766-F878 HydrophobicContact CD2-CZ 4.39Å; L770-F878 HydrophobicContact CD1-CB 4.23Å; L823-F878 HydrophobicContact CD1-CD2 4.1Å; L823-F878 HydrophobicContact CD1-CE2 3.8Å; L852-F878 HydrophobicContact CD2-CD1 4.21Å; L852-F878 HydrophobicContact CD2-CE1 3.79Å; L855-F878 HydrophobicContact CB-CB 3.88Å; L855-F878 HydrophobicContact CB-CD1 4.31Å; L855-F878 HydrophobicContact CB-CG 4.37Å; L855-F878 HydrophobicContact CD2-CB 4.36Å; T856-F878 CarbonylContact C-O 3.45Å; T856-F878 PolarHBondContact O-N 2.69Å; E857-F878 WeakPolarHBondContact CA-O 3.3Å; E857-F878 PolarHBondContact N-O 3.3Å; F878-P880 HydrophobicContact CD1-CG 4.22Å; F878-P880 HydrophobicContact CE1-CB 4.2Å; F878-P880 HydrophobicContact CE1-CG 3.88Å; F878-P880 HydrophobicContact CZ-CB 4.43Å
879	I	89.2	Confident	71.3	Confident	57 Å²	57	79 Å²	79	29%	0.292	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.7	169	-56.3	-173.6	0	0	0	106.6	G768 D769 Y771 G881	G768-I879 CarbonylContact C-O 3.5Å; G768-I879 WeakPolarHBondContact CA-O 3.28Å; D769-I879 PolarHBondContact N-O 3.4Å; D769-I879 PolarHBondContact O-N 2.82Å; Y771-I879 HydrophobicContact CD2-CD1 4.32Å; Y771-I879 HydrophobicContact CD2-CG1 4.32Å; Y771-I879 HydrophobicContact CE2-CD1 3.63Å; Y771-I879 HydrophobicContact CE2-CG1 3.97Å; I879-G881 PolarHBondContact O-N 3.45Å
880	P	83.9	Confident	69.1	Low	60 Å²	60	81.8 Å²	81.8	39%	0.39	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	137.5	174.8	-24.1	33.8	0	0	0	111	F878 E882	F878-P880 HydrophobicContact CD1-CG 4.22Å; F878-P880 HydrophobicContact CE1-CB 4.2Å; F878-P880 HydrophobicContact CE1-CG 3.88Å; F878-P880 HydrophobicContact CZ-CB 4.43Å; P880-E882 PolarHBondContact O-N 2.73Å
881	G	74.2	Confident	66.6	Low	39 Å²	39	84 Å²	84	40%	0.402	47%	0.465	S	S	.	.			trans	-68.7	114.4	173.7	0	0	0	0	0	109.3	V767 I879 L883	V767-G881 PolarHBondContact O-N 2.89Å; I879-G881 PolarHBondContact O-N 3.45Å; G881-L883 PolarHBondContact O-N 2.74Å
882	E	58.7	Low	64.2	Low	181 Å²	181	85.9 Å²	85.9	85%	0.846	49%	0.49	S	S	*	.			trans	-58.9	114.2	179.9	-68.9	-169	156.7	0	0	111	P880 F884	P880-E882 PolarHBondContact O-N 2.73Å; E882-F884 PolarHBondContact O-N 3.36Å
883	L	49.3	Very low	62	Low	95 Å²	95	93 Å²	93	50%	0.497	53%	0.527	S	S	.	.			trans	-57	122.4	152.5	-79.7	164.4	0	0	0	107	A652 G881 R885	A652-L883 HydrophobicContact CB-CD1 3.85Å; A652-L883 HydrophobicContact CB-CD2 3.67Å; A652-L883 HydrophobicContact CB-CG 4.45Å; G881-L883 PolarHBondContact O-N 2.74Å; L883-R885 VanDerWaalsContact C-N 3.31Å; L883-R885 PolarHBondContact O-N 3Å
884	F	39.3	Very low	59.2	Low	189 Å²	189	101.7 Å²	101.7	83%	0.829	56%	0.559	S	S	*	*			trans	-56.7	88.7	179	-91.1	-92.6	0	0	0	111.4	E882 G886	E882-F884 PolarHBondContact O-N 3.36Å; F884-G886 PolarHBondContact O-N 3.22Å
885	R	36.7	Very low	57.1	Low	253 Å²	253	105.2 Å²	105.2	96%	0.955	60%	0.595	S	S	*	*			trans	-77.3	89.1	173.5	-84.7	-165.6	179	-118	7.5	109.3	L883	L883-R885 VanDerWaalsContact C-N 3.31Å; L883-R885 PolarHBondContact O-N 3Å
886	G	31.3	Very low	54.9	Low	53 Å²	53	107.5 Å²	107.5	55%	0.546	62%	0.615	S	S	.	*	S	Bend	trans	146.3	133	167.2	0	0	0	0	0	112.9	F884 T888	F884-G886 PolarHBondContact O-N 3.22Å; G886-T888 VanDerWaalsContact C-N 3.28Å; G886-T888 PolarHBondContact O-N 3.32Å
887	S	38.5	Very low	52.9	Low	127 Å²	127	114.9 Å²	114.9	89%	0.888	65%	0.647	S	S	*	*			trans	-70.7	84	167.1	164.7	0	0	0	0	110.2
888	T	35	Very low	50.6	Low	120 Å²	120	117.3 Å²	117.3	74%	0.736	66%	0.664	S	S	*	*			trans	-107	122.6	156.8	52.6	0	0	0	0	109	G886	G886-T888 VanDerWaalsContact C-N 3.28Å; G886-T888 PolarHBondContact O-N 3.32Å
889	K	31.7	Very low	49	Very low	189 Å²	189	121.4 Å²	121.4	82%	0.822	69%	0.693	S	S	*	*			trans	-62.2	146	170	-64.7	174.1	-178.2	173.5	0	107.9	G891	K889-G891 PolarHBondContact O-N 3.11Å
890	P	37.8	Very low	46.9	Very low	140 Å²	140	125.9 Å²	125.9	91%	0.909	71%	0.713	S	S	*	*			trans	-70.3	78.6	-179.3	29.1	-35.7	0	0	0	111.7
891	G	37.8	Very low	45.3	Very low	61 Å²	61	127.2 Å²	127.2	63%	0.629	72%	0.72	S	S	*	*			trans	-76.3	147.9	165.2	0	0	0	0	0	110.5	K889 L893	K889-G891 PolarHBondContact O-N 3.11Å; G891-L893 PolarHBondContact O-N 2.84Å
892	A	42.8	Very low	44	Very low	99 Å²	99	132 Å²	132	82%	0.818	74%	0.735	S	S	*	*			trans	-66.9	118.5	-177.1	0	0	0	0	0	111.4	F894	A892-F894 PolarHBondContact O-N 3.3Å
893	L	49.4	Very low	43	Very low	149 Å²	149	135.8 Å²	135.8	78%	0.78	75%	0.749	S	S	*	*			trans	-69.2	6.9	177.5	-99.3	160.6	0	0	0	114.6	G891 G895	G891-L893 PolarHBondContact O-N 2.84Å; L893-G895 PolarHBondContact O-N 3.36Å
894	F	35.2	Very low	42.6	Very low	208 Å²	208	137.9 Å²	137.9	91%	0.912	76%	0.762	S	S	*	*	S	Bend	trans	-91.5	101.5	-177.7	-127.6	-91.8	0	0	0	110.7	A892	A892-F894 PolarHBondContact O-N 3.3Å
895	G	51.8	Low	42.8	Very low	76 Å²	76	135.2 Å²	135.2	78%	0.784	76%	0.758	S	S	*	*	S	Bend	trans	117.8	-2.2	174.1	0	0	0	0	0	116.3	L893	L893-G895 PolarHBondContact O-N 3.36Å
896	A	49.2	Very low	43.2	Very low	59 Å²	59	128.6 Å²	128.6	49%	0.488	75%	0.748	S	S	.	*			trans	-65.3	142.8	171.5	0	0	0	0	0	111.3
897	K	53.5	Low	43.9	Very low	156 Å²	156	133.1 Å²	133.1	68%	0.678	76%	0.759	S	S	*	*			trans	-74.7	134.2	176.3	-71.9	-177.3	178.2	178.6	0	110	S899 Q900	K897-S899 PolarHBondContact O-N 2.9Å; K897-Q900 PolarHBondContact O-N 3.16Å
898	M	44.9	Very low	44.2	Very low	147 Å²	147	133.4 Å²	133.4	72%	0.724	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-51.4	-34.1	-175.6	-152.8	82.4	81.9	0	0	113.7	Q900 V901 L902	M898-Q900 PolarHBondContact O-N 3.02Å; M898-Q900 VanDerWaalsContact O-N 3.16Å; M898-V901 PolarHBondContact O-N 3.36Å; M898-L902 HydrophobicContact CG-CD1 4.05Å; M898-L902 PolarHBondContact O-N 3.04Å
899	S	57.9	Low	44.8	Very low	91 Å²	91	134.3 Å²	134.3	64%	0.636	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-67.9	-5.6	177.9	59.2	0	0	0	0	115.4	K897	K897-S899 PolarHBondContact O-N 2.9Å
900	Q	46.3	Very low	45.7	Very low	152 Å²	152	130.4 Å²	130.4	71%	0.71	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-102.5	-4.6	171.5	-65.4	179.5	-61.9	0	0	112.8	K897 M898	K897-Q900 PolarHBondContact O-N 3.16Å; M898-Q900 PolarHBondContact O-N 3.02Å; M898-Q900 VanDerWaalsContact O-N 3.16Å
901	V	50.5	Low	46.3	Very low	88 Å²	88	129.7 Å²	129.7	53%	0.533	74%	0.735	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.7	-18.4	177.9	-173.1	0	0	0	0	111.6	M898	M898-V901 PolarHBondContact O-N 3.36Å
902	L	45.3	Very low	47.1	Very low	138 Å²	138	135.4 Å²	135.4	72%	0.723	74%	0.744	S	S	*	*			trans	-114.4	69.7	-177.6	-64.4	171.2	0	0	0	110.4	M898	M898-L902 HydrophobicContact CG-CD1 4.05Å; M898-L902 PolarHBondContact O-N 3.04Å
903	K	37.8	Very low	47.4	Very low	262 Å²	262	138.7 Å²	138.7	100%	1.139	74%	0.737	S	S	*	*			trans	-147.7	0	178.2	-138.2	-169.8	-176.3	-164.7	0	112.2

Retrieved 903 of 903 residues in 474.5 ms (Link to these results)

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