A0AA82N807_SCHMA Loading...

RRM domain-containing protein

AlphaFold DB (A0A5K4F4P9), UniProt , Accession A0AA82N807, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 978 aa.

						>A0AA82N807_SCHMA|A0AA82N807
MNSVNSWSSTYHHYRNPLFRQLNENLTSTNDLESISKTIANDKNGGVSPHSDIKLNIQQVLNEEKSIQTGTGLATSASTFTSGRPCLAGTQTLKHQLTKNQETNLDITNTSILSMNACDFTQDSSGLGSMISEHCNTSYFKDGDRSDSHLHWPNHSLITLDEDASDMSLDKSDDYANGPSDNNREAPIIKTEYPHLESQIKSPELAMRTSPSSEGRSAIQYGSGDEFDYDAMVAQTRMIANQNFQTMDENFASVARYVEELTGCRELKKTTNTKDSHITKISSNSRQTTPGKPQHHHYQHHHNQQQQQCVTQPMSPPPTGSVRHQQDYQLLKLQQLQQLYQKLISLPSMKHPKVDDKSSTESITQDLLLHLLANQNISESLLNNLLPSVDTAFEKNSRRSSSTIGQNCKPFGISTNQLPRNNRRVALSDLTSYDECLLRSILSNTPHTSVQNNSDGIHPIMQGFHNNNESWMTNIHNRRSNPIQNPLLSSNCNQLVNVISQLDTNAVKTDLLSHAAPINPNTMALLASLLNTTQSQSNSPVINTSSTPQEQHIMLYNLLANQLSSFQSDSAVNNNNTNISQLLHERASKQRETSLLNSMLLKSECQGDNISPSPPSSSQRRQYTLSDSSLTEELSQLALPYQKLMSSFENDIDKAANVYRNSASTVAQTSEAAYHWSGKLPIRVHRSMTFSRKVFLGGVPWDSTSEELVRAFSRFGNVSVCWPQKEGSSSTSTHIKASSNKGYCYLVFEHEVSVTELLANCVHNPTTGGEYYTISSPKFISKDVQVIPWVISDSQYTKSTPSSSDIKRTVFVGALHALITAEILVTIMNDLFGNVIFAALDTDKYKYPIGSGRVIFSSHKSYMKAITANFVDIRTSKFIKTIQIDPYLEDAVCNSCLSYPGMYFCRAFECFNYFCPACWHMWHNSTETLYTHKPLRRTFKPNIDRQWQTGVVVTTTVTTTTATATTTVSVATTTQSRF
					

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	34.2	Very low	29.1	Very low	233 Å²	233	147.1 Å²	147.1	100%	1.148	79%	0.792	S	S	*	*				0	77.8	0	-69.2	178.3	128.3	0	0	105.8
2	N	26.3	Very low	29.4	Very low	159 Å²	159	147.1 Å²	147.1	85%	0.85	78%	0.782	S	S	*	*				54.1	117.2	89.3	-62.4	8.4	0	0	0	109
3	S	28	Very low	29.3	Very low	99 Å²	99	148.2 Å²	148.2	69%	0.692	78%	0.78	S	S	*	*				176.9	139.2	50	-138.3	0	0	0	0	106.2
4	V	29.5	Very low	29.4	Very low	114 Å²	114	154.5 Å²	154.5	69%	0.691	79%	0.79	S	S	*	*				75.9	132.7	101.6	166.1	0	0	0	0	112.5
5	N	30.6	Very low	29.4	Very low	132 Å²	132	158.1 Å²	158.1	71%	0.706	79%	0.79	S	S	*	*			cis	-164.8	144.9	11.6	-99.7	-8	0	0	0	107.4
6	S	27.2	Very low	29.6	Very low	93 Å²	93	156.8 Å²	156.8	65%	0.65	79%	0.786	S	S	*	*				63.8	126.9	97.7	116.5	0	0	0	0	115.9
7	W	28.4	Very low	29.9	Very low	268 Å²	268	153.6 Å²	153.6	100%	1.015	78%	0.78	S	S	*	*			trans	-153.9	127.1	139.5	-94.4	6.3	0	0	0	109.4
8	S	25.7	Very low	30	Very low	111 Å²	111	153.3 Å²	153.3	78%	0.776	78%	0.779	S	S	*	*			trans	-124.7	149.7	172.3	55.8	0	0	0	0	108.4
9	S	32.8	Very low	30	Very low	109 Å²	109	155.3 Å²	155.3	76%	0.762	78%	0.782	S	S	*	*			trans	-161.2	95.7	155.1	-170.5	0	0	0	0	112.2
10	T	27.6	Very low	29.9	Very low	108 Å²	108	158.7 Å²	158.7	66%	0.663	79%	0.785	S	S	*	*				15.7	134.1	127	-33.1	0	0	0	0	120
11	Y	30.3	Very low	29.9	Very low	192 Å²	192	159.1 Å²	159.1	75%	0.753	79%	0.785	S	S	*	*				-175.8	128.3	113.7	-98.2	-60.7	0	0	0	117.7
12	H	32.7	Very low	29.7	Very low	147 Å²	147	156 Å²	156	68%	0.681	77%	0.772	S	S	*	*			trans	73.6	96.5	142.9	-77.6	-49.3	0	0	0	125.7
13	H	28	Very low	29.8	Very low	162 Å²	162	156 Å²	156	75%	0.75	77%	0.772	S	S	*	*				19.5	131	122	-76.3	-61.6	0	0	0	122.1
14	Y	30.5	Very low	29.9	Very low	236 Å²	236	158.9 Å²	158.9	93%	0.925	78%	0.775	S	S	*	*				-155.9	135.2	115.6	-116.3	-86.6	0	0	0	112.6
15	R	29.3	Very low	30	Very low	209 Å²	209	159.8 Å²	159.8	79%	0.789	78%	0.776	S	S	*	*			trans	-65.9	167.8	178.6	-83.9	175.8	164.9	171.5	-5	113.1
16	N	32.1	Very low	30.1	Very low	136 Å²	136	160.2 Å²	160.2	73%	0.727	78%	0.778	S	S	*	*			cis	-175	178.3	39.7	-128.5	-5.5	0	0	0	110.5
17	P	34.8	Very low	30.1	Very low	104 Å²	104	161.2 Å²	161.2	68%	0.675	78%	0.78	S	S	*	*			trans	-127.8	-171.2	-137.9	30.3	-2.9	0	0	0	113.5
18	L	31.2	Very low	30.3	Very low	148 Å²	148	153.5 Å²	153.5	78%	0.775	77%	0.766	S	S	*	*			trans	160.9	131.2	154.1	-89.7	-176.4	0	0	0	105.5
19	F	31.5	Very low	30.7	Very low	190 Å²	190	153.7 Å²	153.7	83%	0.833	76%	0.763	S	S	*	*			cis	-157.4	148.6	27.8	-121.2	-82.1	0	0	0	108.7
20	R	27.9	Very low	30.7	Very low	224 Å²	224	155.1 Å²	155.1	85%	0.845	76%	0.762	S	S	*	*			trans	-105.6	165.5	174.8	-141.1	-176.1	-165.8	176	3.7	109.1
21	Q	29.7	Very low	31	Very low	167 Å²	167	156.8 Å²	156.8	78%	0.78	77%	0.767	S	S	*	*			trans	92.5	105.1	150.9	-114.6	166.7	-7.8	0	0	117.7
22	L	30.6	Very low	31.2	Very low	168 Å²	168	154.2 Å²	154.2	88%	0.88	77%	0.766	S	S	*	*				176.5	125.3	96.7	-87.1	162.6	0	0	0	110.3
23	N	26.9	Very low	31.3	Very low	158 Å²	158	155.1 Å²	155.1	85%	0.845	77%	0.77	S	S	*	*			trans	-136.3	164.4	159.5	-159.3	16.5	0	0	0	107.4
24	E	30.4	Very low	31.5	Very low	160 Å²	160	152.3 Å²	152.3	75%	0.748	77%	0.769	S	S	*	*			trans	105.9	101.5	177.2	-60.9	176.8	-172.8	0	0	115
25	N	32.3	Very low	31.8	Very low	134 Å²	134	149 Å²	149	72%	0.717	77%	0.766	S	S	*	*				179.9	124	94.6	-89.4	-48.9	0	0	0	114.2
26	L	31.5	Very low	31.9	Very low	141 Å²	141	144.1 Å²	144.1	74%	0.738	76%	0.763	S	S	*	*			trans	46.1	113.5	135.8	-83.4	96.5	0	0	0	123.3
27	T	28	Very low	32.1	Very low	114 Å²	114	146.9 Å²	146.9	70%	0.699	77%	0.769	S	S	*	*				39.3	122.3	121.5	58.2	0	0	0	0	121
28	S	33.4	Very low	32	Very low	105 Å²	105	147.6 Å²	147.6	73%	0.734	77%	0.771	S	S	*	*				164.2	133.3	102.1	50.7	0	0	0	0	114.2
29	T	33.9	Very low	32.2	Very low	116 Å²	116	148.2 Å²	148.2	71%	0.712	77%	0.774	S	S	*	*			trans	61.8	115.2	142	56.2	0	0	0	0	123.4
30	N	32.2	Very low	32.4	Very low	139 Å²	139	142.9 Å²	142.9	74%	0.743	77%	0.765	S	S	*	*				48.8	122.5	124.5	-56.3	-14.2	0	0	0	120.9
31	D	34.4	Very low	32.6	Very low	143 Å²	143	139.3 Å²	139.3	77%	0.765	76%	0.762	S	S	*	*				172.3	134.2	101.7	-87.4	-31.3	0	0	0	114.6
32	L	34.9	Very low	33	Very low	137 Å²	137	139.5 Å²	139.5	72%	0.717	77%	0.769	S	S	*	*			trans	37.5	123	145.8	-80.4	98.9	0	0	0	125.6
33	E	33.5	Very low	33.1	Very low	166 Å²	166	139.9 Å²	139.9	78%	0.776	76%	0.764	S	S	*	*				53.3	121.1	119.9	-76.9	-172.7	149.5	0	0	124.7
34	S	32	Very low	33.5	Very low	103 Å²	103	140 Å²	140	72%	0.72	76%	0.764	S	S	*	*			trans	81.5	128.9	132.6	87.5	0	0	0	0	119.6
35	I	36.6	Very low	33.7	Very low	168 Å²	168	136.3 Å²	136.3	86%	0.862	77%	0.769	S	S	*	*				-173.1	128.1	122.7	-88	149.7	0	0	0	108.6
36	S	31.9	Very low	33.5	Very low	106 Å²	106	133.3 Å²	133.3	74%	0.741	77%	0.77	S	S	*	*			trans	-93.3	164.8	172.5	-62.6	0	0	0	0	111.8
37	K	35.6	Very low	33.6	Very low	194 Å²	194	133.8 Å²	133.8	84%	0.843	78%	0.778	S	S	*	*			trans	116.4	108.6	141	-77.9	-176.5	179.6	175.4	0	120.3
38	T	33	Very low	33.8	Very low	118 Å²	118	133.3 Å²	133.3	72%	0.724	78%	0.78	S	S	*	*				93.1	147.2	116.8	-44.7	0	0	0	0	121
39	I	35.6	Very low	34	Very low	161 Å²	161	133.7 Å²	133.7	83%	0.826	78%	0.78	S	S	*	*			trans	109.5	138	153.9	-52.6	168.4	0	0	0	113
40	A	35.2	Very low	33.9	Very low	78 Å²	78	136.4 Å²	136.4	65%	0.645	78%	0.784	S	S	*	*			cis	179.9	142.1	-42.2	0	0	0	0	0	105.9
41	N	32.1	Very low	34	Very low	149 Å²	149	133.7 Å²	133.7	80%	0.797	78%	0.776	S	S	*	*			trans	44.3	128	154.3	-69.4	-14.7	0	0	0	122.6
42	D	38	Very low	33.9	Very low	171 Å²	171	133.9 Å²	133.9	91%	0.914	78%	0.777	S	S	*	*				-160.1	148.5	111.1	-112.7	-22.2	0	0	0	114.5
43	K	33.8	Very low	33.9	Very low	177 Å²	177	135.1 Å²	135.1	77%	0.77	78%	0.782	S	S	*	*			trans	-103.1	150.8	-174.9	-64.6	173.7	174.1	176.1	0	111.5
44	N	35.4	Very low	33.8	Very low	159 Å²	159	136.2 Å²	136.2	85%	0.85	79%	0.785	S	S	*	*				145.6	136.8	124.3	-86.8	-14.1	0	0	0	116
45	G	33.6	Very low	33.8	Very low	84 Å²	84	139.1 Å²	139.1	87%	0.866	79%	0.791	S	S	*	*			trans	74.3	134.8	147	0	0	0	0	0	116.7
46	G	28.4	Very low	33.6	Very low	71 Å²	71	137.7 Å²	137.7	73%	0.732	79%	0.786	S	S	*	*			cis	144.2	141.7	13.8	0	0	0	0	0	108.1
47	V	34.8	Very low	33.6	Very low	150 Å²	150	139.1 Å²	139.1	91%	0.909	78%	0.783	S	S	*	*			trans	89	118.1	158.4	-167	0	0	0	0	118.7
48	S	30.5	Very low	33.3	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	78%	0.779	S	S	*	*			trans	-89.7	161.4	163.1	-161.9	0	0	0	0	109.5
49	P	38.1	Very low	33.3	Very low	112 Å²	112	140.3 Å²	140.3	73%	0.727	78%	0.784	S	S	*	*				-161	166.9	86.3	42.7	-21.5	0	0	0	118.3
50	H	32.9	Very low	33.1	Very low	173 Å²	173	138.6 Å²	138.6	80%	0.801	78%	0.781	S	S	*	*			trans	74.9	124.3	136.2	-106.6	-89.2	0	0	0	126.1
51	S	34.2	Very low	32.8	Very low	82 Å²	82	141.7 Å²	141.7	57%	0.573	79%	0.785	S	S	*	*			trans	79.4	125.3	130.9	47	0	0	0	0	125.8
52	D	31.8	Very low	32.7	Very low	147 Å²	147	141.3 Å²	141.3	79%	0.786	78%	0.783	S	S	*	*			trans	77.3	130.8	132.1	-60	-24.1	0	0	0	122.5
53	I	35.3	Very low	32.4	Very low	163 Å²	163	141.1 Å²	141.1	84%	0.836	78%	0.777	S	S	*	*				173.7	116.9	116.6	-81.3	153.5	0	0	0	113.5
54	K	32.1	Very low	32.5	Very low	190 Å²	190	141.5 Å²	141.5	83%	0.826	78%	0.781	S	S	*	*			trans	17.8	128.6	146.2	-75	173	169.4	175.9	0	125.8
55	L	30.4	Very low	32.3	Very low	164 Å²	164	143.3 Å²	143.3	86%	0.859	78%	0.782	S	S	*	*				26.1	135.2	119.9	-73.8	161.8	0	0	0	123.5
56	N	32.5	Very low	32.2	Very low	138 Å²	138	144.2 Å²	144.2	74%	0.738	78%	0.775	S	S	*	*			trans	-170.9	131	133.5	-119.8	2.7	0	0	0	117
57	I	33.4	Very low	32.2	Very low	135 Å²	135	147.6 Å²	147.6	69%	0.692	78%	0.775	S	S	*	*			trans	64.4	144.9	131.2	-66.4	171.1	0	0	0	120.6
58	Q	28	Very low	32	Very low	161 Å²	161	149.4 Å²	149.4	75%	0.752	77%	0.773	S	S	*	*			cis	169.9	159.7	-15.6	-176.7	90.2	16.4	0	0	106.7
59	Q	33.3	Very low	31.8	Very low	177 Å²	177	151.2 Å²	151.2	83%	0.827	78%	0.78	S	S	*	*			trans	99.1	134.6	154.6	-57.6	-174.8	-39.3	0	0	116.7
60	V	31.9	Very low	31.4	Very low	125 Å²	125	149.5 Å²	149.5	76%	0.758	78%	0.782	S	S	*	*			cis	-158.3	122.7	25	179	0	0	0	0	107.6
61	L	27.5	Very low	31	Very low	142 Å²	142	148.6 Å²	148.6	74%	0.743	79%	0.789	S	S	*	*				59.4	122	86.7	-86.4	167.9	0	0	0	120.4
62	N	31.9	Very low	30.8	Very low	141 Å²	141	148.1 Å²	148.1	75%	0.754	80%	0.797	S	S	*	*			trans	151	101.6	141.3	-76.9	-0.6	0	0	0	110.1
63	E	31.6	Very low	30.6	Very low	167 Å²	167	149 Å²	149	78%	0.78	80%	0.801	S	S	*	*				62.3	127.4	83.1	-64.5	-167.2	155.3	0	0	112.6
64	E	35	Very low	30.1	Very low	185 Å²	185	146.2 Å²	146.2	86%	0.864	80%	0.802	S	S	*	*			cis	-156.6	159.3	42.5	-74.8	-178.3	106	0	0	115.7
65	K	30.7	Very low	29.8	Very low	197 Å²	197	143.4 Å²	143.4	86%	0.857	80%	0.801	S	S	*	*			trans	-31.4	155	164.2	-74.1	157.3	170.4	170.9	0	117.9
66	S	31.5	Very low	29.6	Very low	103 Å²	103	141.1 Å²	141.1	72%	0.72	80%	0.799	S	S	*	*				-173.9	127.5	62.9	-168.8	0	0	0	0	114.9
67	I	28.8	Very low	29.3	Very low	142 Å²	142	139.3 Å²	139.3	73%	0.728	80%	0.803	S	S	*	*			trans	34.1	116.2	133.9	-44	168	0	0	0	119.9
68	Q	31.3	Very low	28.9	Very low	189 Å²	189	137 Å²	137	88%	0.883	80%	0.799	S	S	*	*				-176.4	145.1	112.6	-95.4	-177.4	13.2	0	0	112.3
69	T	26.1	Very low	28.8	Very low	143 Å²	143	134.9 Å²	134.9	88%	0.877	80%	0.797	S	S	*	*			trans	-71.7	143.8	-168.2	43.6	0	0	0	0	115.7
70	G	28.6	Very low	28.4	Very low	75 Å²	75	135.2 Å²	135.2	77%	0.773	80%	0.796	S	S	*	*			trans	-177	106.4	163.4	0	0	0	0	0	112.3
71	T	26.1	Very low	28.2	Very low	154 Å²	154	134.3 Å²	134.3	95%	0.945	79%	0.791	S	S	*	*			trans	-56.8	131.3	171.5	39.4	0	0	0	0	112.6
72	G	29.5	Very low	28.2	Very low	72 Å²	72	132.5 Å²	132.5	74%	0.742	79%	0.79	S	S	*	*			trans	-159.2	126	171.5	0	0	0	0	0	111
73	L	28	Very low	27.9	Very low	167 Å²	167	128 Å²	128	87%	0.874	78%	0.778	S	S	*	*			trans	-60.5	146	-170	-74	95.2	0	0	0	114.2	T75	L73-T75 PolarHBondContact O-N 3.38Å
74	A	23.8	Very low	28	Very low	103 Å²	103	126.1 Å²	126.1	85%	0.851	76%	0.764	S	S	*	*			trans	-70.7	113.7	163.7	0	0	0	0	0	110.2
75	T	26.8	Very low	27.9	Very low	131 Å²	131	120 Å²	120	80%	0.804	74%	0.74	S	S	*	*			trans	-112.4	104.9	165.6	35.6	0	0	0	0	109.4	L73 A77	L73-T75 PolarHBondContact O-N 3.38Å; T75-A77 PolarHBondContact O-N 2.77Å
76	S	25.9	Very low	27.9	Very low	116 Å²	116	111.5 Å²	111.5	81%	0.811	71%	0.705	S	S	*	*			trans	-67.4	115.2	165.4	48.2	0	0	0	0	110.1	S78	S76-S78 PolarHBondContact O-N 2.72Å
77	A	24.9	Very low	27.9	Very low	100 Å²	100	113.3 Å²	113.3	83%	0.826	71%	0.706	S	S	*	*			trans	-81.6	98.3	173.8	0	0	0	0	0	110.5	T75	T75-A77 PolarHBondContact O-N 2.77Å
78	S	25.4	Very low	28.1	Very low	87 Å²	87	107.2 Å²	107.2	61%	0.608	68%	0.676	S	S	*	*			trans	-86.3	106.5	167.3	56.3	0	0	0	0	109.8	S76 F80	S76-S78 PolarHBondContact O-N 2.72Å; S78-F80 WeakPolarHBondContact O-CD2 3.12Å; S78-F80 PolarHBondContact O-N 2.94Å
79	T	25.5	Very low	27.8	Very low	117 Å²	117	100.5 Å²	100.5	72%	0.718	66%	0.658	S	S	*	*			trans	-71.5	107	173.9	-35.4	0	0	0	0	110	T81	T79-T81 PolarHBondContact O-N 3.11Å
80	F	25.1	Very low	28.1	Very low	184 Å²	184	96.6 Å²	96.6	81%	0.807	63%	0.634	S	S	*	*			trans	-69.4	120	175.9	-81.7	-94.2	0	0	0	111.1	S78	S78-F80 WeakPolarHBondContact O-CD2 3.12Å; S78-F80 PolarHBondContact O-N 2.94Å
81	T	29.1	Very low	28	Very low	106 Å²	106	101 Å²	101	65%	0.65	64%	0.635	S	S	*	*			trans	-98.6	98.9	168.5	57.7	0	0	0	0	109.1	T79 G83	T79-T81 PolarHBondContact O-N 3.11Å; T81-G83 PolarHBondContact O-N 3.33Å; T81-G83 VanDerWaalsContact O-N 3.15Å
82	S	26.2	Very low	28.3	Very low	103 Å²	103	99.2 Å²	99.2	72%	0.72	62%	0.624	S	S	*	*			trans	-80.9	83.7	170.6	58.9	0	0	0	0	109.8
83	G	27.2	Very low	28.2	Very low	48 Å²	48	102.6 Å²	102.6	50%	0.495	62%	0.624	S	S	.	*	S	Bend	trans	-146.2	130.6	171.1	0	0	0	0	0	108.4	T81 P85	T81-G83 PolarHBondContact O-N 3.33Å; T81-G83 VanDerWaalsContact O-N 3.15Å; G83-P85 WeakPolarHBondContact O-CD 2.85Å
84	R	33.3	Very low	28.3	Very low	127 Å²	127	103.9 Å²	103.9	48%	0.479	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-54.1	123	-177.7	-78.7	-177.5	169.1	-170.1	-3.7	109.9	C86 N661	R84-C86 PolarHBondContact O-N 3.21Å; R84-N661 PolarHBondContact NH2-OD1 3.24Å
85	P	32.3	Very low	28.6	Very low	57 Å²	57	106.9 Å²	106.9	37%	0.37	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-67.5	131.4	164.1	26.1	-28.7	0	0	0	108.2	G83 L87 P723	G83-P85 WeakPolarHBondContact O-CD 2.85Å; P85-L87 PolarHBondContact O-N 3.49Å; P85-P723 HydrophobicContact CG-CB 4.45Å
86	C	31.4	Very low	28.6	Very low	17 Å²	17	109.5 Å²	109.5	12%	0.115	62%	0.622	C	S	.	*	P	Polyproline II helix	trans	-52.7	121.8	171.5	41.7	0	0	0	0	109.8	R84 A88 Y745 A817	R84-C86 PolarHBondContact O-N 3.21Å; C86-A88 PolarHBondContact O-N 3.03Å; C86-Y745 PolarHBondContact O-OH 3.37Å; C86-A817 HydrophobicContact CB-CB 4.3Å
87	L	31.8	Very low	28.6	Very low	142 Å²	142	110.9 Å²	110.9	74%	0.743	62%	0.619	S	S	*	*			trans	-66.8	80.5	167.8	-100.4	107.3	0	0	0	108.4	P85 G89	P85-L87 PolarHBondContact O-N 3.49Å; L87-G89 PolarHBondContact O-N 2.54Å; L87-G89 VanDerWaalsContact O-N 3.13Å
88	A	31.6	Very low	28.7	Very low	13 Å²	13	113.5 Å²	113.5	11%	0.107	63%	0.625	C	S	.	*			trans	-81.5	76.4	163.5	0	0	0	0	0	107.7	C86 F695 A817	C86-A88 PolarHBondContact O-N 3.03Å; A88-F695 HydrophobicContact CB-CD2 4.09Å; A88-F695 HydrophobicContact CB-CE2 3.6Å; A88-F695 HydrophobicContact CB-CZ 4.06Å; A88-F695 WeakPolarHBondContact O-CE2 3.24Å; A88-F695 VanDerWaalsContact O-CZ 3.24Å; A88-F695 WeakPolarHBondContact O-CZ 3.45Å; A88-A817 HydrophobicContact CB-CB 3.89Å
89	G	26.1	Very low	28.9	Very low	49 Å²	49	118 Å²	118	51%	0.505	63%	0.634	S	S	.	*			trans	-122.1	58.8	168.6	0	0	0	0	0	108.7	L87 Q91	L87-G89 PolarHBondContact O-N 2.54Å; L87-G89 VanDerWaalsContact O-N 3.13Å; G89-Q91 VanDerWaalsContact C-N 3.3Å; G89-Q91 PolarHBondContact O-N 3.16Å
90	T	31.5	Very low	29	Very low	61 Å²	61	119.2 Å²	119.2	37%	0.374	64%	0.636	S	S	.	*			trans	-67.7	97.9	165.7	50.4	0	0	0	0	106.9	T92 F878	T90-T92 VanDerWaalsContact C-N 3.33Å; T90-T92 PolarHBondContact O-N 3.36Å; T90-F878 HydrophobicContact CG2-CB 4.36Å
91	Q	27.2	Very low	29.2	Very low	167 Å²	167	120 Å²	120	78%	0.78	64%	0.642	S	S	*	*			trans	-57.3	108.8	151.2	-72.5	-175.7	18.3	0	0	105.4	G89 L93	G89-Q91 VanDerWaalsContact C-N 3.3Å; G89-Q91 PolarHBondContact O-N 3.16Å; Q91-L93 PolarHBondContact O-N 3.34Å
92	T	31.3	Very low	29.2	Very low	116 Å²	116	123.6 Å²	123.6	71%	0.712	65%	0.651	S	S	*	*			trans	-55.6	135.2	166.2	45.9	0	0	0	0	107.5	T90 K94	T90-T92 VanDerWaalsContact C-N 3.33Å; T90-T92 PolarHBondContact O-N 3.36Å; T92-K94 VanDerWaalsContact C-N 3.28Å; T92-K94 PolarHBondContact O-N 2.84Å
93	L	28.7	Very low	29.4	Very low	144 Å²	144	125.8 Å²	125.8	75%	0.754	66%	0.66	S	S	*	*	S	Bend	trans	-60.5	84.9	-174.1	-154.5	147.3	0	0	0	110.2	Q91 L97	Q91-L93 PolarHBondContact O-N 3.34Å; L93-L97 HydrophobicContact CD2-CD1 4.14Å
94	K	29.7	Very low	29.3	Very low	194 Å²	194	128.9 Å²	128.9	84%	0.843	67%	0.666	S	S	*	*			trans	-143	17.6	170.8	-109.4	-173.7	-177.8	-178.3	0	113.2	T92	T92-K94 VanDerWaalsContact C-N 3.28Å; T92-K94 PolarHBondContact O-N 2.84Å
95	H	29.1	Very low	29.2	Very low	165 Å²	165	130 Å²	130	76%	0.764	68%	0.68	S	S	*	*	S	Bend	trans	-146.3	57.5	177.7	-135.9	85.2	0	0	0	112.5
96	Q	27.4	Very low	29	Very low	187 Å²	187	132.8 Å²	132.8	87%	0.874	69%	0.692	S	S	*	*	S	Bend	trans	175.6	76.2	158.9	-102.1	175.4	38.3	0	0	108.8
97	L	26.9	Very low	28.9	Very low	145 Å²	145	138.1 Å²	138.1	76%	0.759	72%	0.718	S	S	*	*			trans	-168	78.7	164.9	-104	165	0	0	0	108.7	L93	L93-L97 HydrophobicContact CD2-CD1 4.14Å
98	T	27	Very low	28.8	Very low	154 Å²	154	136.3 Å²	136.3	95%	0.945	71%	0.713	S	S	*	*			trans	-140.7	76.5	153.4	-14	0	0	0	0	107.9
99	K	29.4	Very low	28.6	Very low	182 Å²	182	142.3 Å²	142.3	79%	0.791	74%	0.744	S	S	*	*			trans	-91.8	110.5	168.3	-148.3	176.6	-171.8	177.8	0	106.9
100	N	26.2	Very low	28.8	Very low	142 Å²	142	145.8 Å²	145.8	76%	0.759	76%	0.755	S	S	*	*			trans	53	101.8	153.2	-59.8	-22.1	0	0	0	118.5
101	Q	30.6	Very low	28.8	Very low	202 Å²	202	148 Å²	148	94%	0.944	77%	0.773	S	S	*	*			trans	-142.8	117.1	134.5	-111.2	173.2	18.7	0	0	109.7
102	E	27.7	Very low	28.8	Very low	180 Å²	180	147.6 Å²	147.6	84%	0.841	78%	0.775	S	S	*	*			trans	-64.4	138.8	173.6	-61.1	169.2	135.5	0	0	110.8
103	T	31.7	Very low	28.6	Very low	149 Å²	149	150.1 Å²	150.1	91%	0.914	78%	0.783	S	S	*	*				-163.4	145.4	128	40	0	0	0	0	111.3
104	N	25.2	Very low	28.6	Very low	113 Å²	113	148 Å²	148	60%	0.604	78%	0.78	S	S	*	*			trans	-68.4	172.4	-168.2	-91.4	-68.2	0	0	0	117
105	L	31	Very low	28.5	Very low	150 Å²	150	145.9 Å²	145.9	79%	0.785	78%	0.775	S	S	*	*			trans	92.1	133.8	162.3	-70.7	112.5	0	0	0	116.2
106	D	27.7	Very low	28.3	Very low	116 Å²	116	145 Å²	145	62%	0.62	78%	0.776	S	S	*	*			cis	-175.4	139	-18.3	-119	-17.7	0	0	0	104.7
107	I	28.2	Very low	28.2	Very low	129 Å²	129	140.1 Å²	140.1	66%	0.662	77%	0.768	S	S	*	*			trans	56.9	114.5	132.5	-63.3	171.5	0	0	0	115.7
108	T	29.7	Very low	28.1	Very low	105 Å²	105	138.3 Å²	138.3	64%	0.644	77%	0.766	S	S	*	*			cis	174	152.2	45.3	20.9	0	0	0	0	112.5
109	N	27.7	Very low	28	Very low	139 Å²	139	138.9 Å²	138.9	74%	0.743	76%	0.763	S	S	*	*			trans	63.9	133.1	140.6	-64	-14.5	0	0	0	118.7
110	T	30.2	Very low	27.8	Very low	122 Å²	122	137.8 Å²	137.8	75%	0.748	76%	0.759	S	S	*	*			cis	-177.4	127.7	25.7	19.6	0	0	0	0	106.6
111	S	32.5	Very low	27.7	Very low	106 Å²	106	137.5 Å²	137.5	74%	0.741	76%	0.762	S	S	*	*				157.7	105.3	103.1	-62.8	0	0	0	0	106.7
112	I	26	Very low	27.7	Very low	159 Å²	159	134.5 Å²	134.5	82%	0.815	75%	0.748	S	S	*	*				66.5	128.7	89.1	-58.8	177.6	0	0	0	114.6
113	L	28.5	Very low	27.5	Very low	170 Å²	170	132.9 Å²	132.9	89%	0.89	75%	0.745	S	S	*	*			trans	95.9	114.4	-177	-54.3	175	0	0	0	112.9
114	S	27.3	Very low	27.3	Very low	100 Å²	100	131.6 Å²	131.6	70%	0.699	74%	0.743	S	S	*	*			cis	-166.1	128.1	11.3	165.9	0	0	0	0	109.2
115	M	27.7	Very low	27.4	Very low	149 Å²	149	131.2 Å²	131.2	73%	0.734	75%	0.749	S	S	*	*			trans	58.5	100.4	146.5	-55.9	-83.2	-80.6	0	0	117.6
116	N	25.5	Very low	27.1	Very low	145 Å²	145	127.4 Å²	127.4	78%	0.775	75%	0.746	S	S	*	*				69.3	131.6	98.9	-64.4	-11.1	0	0	0	113.2
117	A	25.9	Very low	26.9	Very low	86 Å²	86	130 Å²	130	71%	0.711	76%	0.758	S	S	*	*			cis	-176.8	158.8	-3.7	0	0	0	0	0	105.7
118	C	25.4	Very low	26.8	Very low	107 Å²	107	127.7 Å²	127.7	72%	0.723	77%	0.767	S	S	*	*			trans	78.7	98.8	165.5	-70.7	0	0	0	0	118.9	F120	C118-F120 HydrophobicContact CB-CD2 4.08Å; C118-F120 PolarHBondContact O-N 3.45Å
119	D	23.7	Very low	26.7	Very low	165 Å²	165	128.1 Å²	128.1	88%	0.882	77%	0.774	S	S	*	*			trans	-40.6	121.9	131.5	-65.4	-57.5	0	0	0	111.2
120	F	25.9	Very low	26.5	Very low	159 Å²	159	128.9 Å²	128.9	70%	0.697	78%	0.775	S	S	*	*			trans	-144.8	111.5	154	-99.4	-82.6	0	0	0	108.7	C118 Q122	C118-F120 HydrophobicContact CB-CD2 4.08Å; C118-F120 PolarHBondContact O-N 3.45Å; F120-Q122 PolarHBondContact O-N 3.41Å
121	T	24.6	Very low	26.4	Very low	136 Å²	136	130.2 Å²	130.2	83%	0.834	78%	0.776	S	S	*	*			trans	-54.1	117.1	151.4	48.6	0	0	0	0	108.5
122	Q	29.2	Very low	26.1	Very low	139 Å²	139	129.5 Å²	129.5	65%	0.65	77%	0.771	S	S	*	*			trans	-142.1	117.8	165.6	-80.2	-169	-15.4	0	0	111.4	F120	F120-Q122 PolarHBondContact O-N 3.41Å
123	D	24.9	Very low	26.1	Very low	146 Å²	146	129.7 Å²	129.7	78%	0.781	77%	0.769	S	S	*	*			trans	-29.7	138.9	148.4	-52.7	-59.8	0	0	0	112.9
124	S	27.4	Very low	25.9	Very low	123 Å²	123	130 Å²	130	86%	0.86	77%	0.765	S	S	*	*			trans	-117.5	81.2	162.9	-58.1	0	0	0	0	108.2
125	S	26.1	Very low	25.8	Very low	105 Å²	105	130.5 Å²	130.5	73%	0.734	77%	0.767	S	S	*	*			trans	-49.4	142	155.1	-32.1	0	0	0	0	110.6
126	G	24.7	Very low	25.6	Very low	69 Å²	69	130.9 Å²	130.9	71%	0.711	77%	0.773	S	S	*	*	S	Bend	trans	63.7	140.6	137.3	0	0	0	0	0	120.3
127	L	24.6	Very low	25.7	Very low	170 Å²	170	130.2 Å²	130.2	89%	0.89	77%	0.774	S	S	*	*			trans	72.1	89.3	157.7	-63.7	155.3	0	0	0	116.1
128	G	25.4	Very low	25.5	Very low	81 Å²	81	130.6 Å²	130.6	84%	0.835	77%	0.771	S	S	*	*			trans	-179.4	81.2	165.9	0	0	0	0	0	113.4
129	S	27.9	Very low	25.4	Very low	114 Å²	114	134.9 Å²	134.9	80%	0.797	77%	0.773	S	S	*	*			trans	166.1	74.2	130.1	-161	0	0	0	0	109.8
130	M	24.2	Very low	25.7	Very low	155 Å²	155	135.7 Å²	135.7	76%	0.764	77%	0.77	S	S	*	*			trans	-105.1	92.7	149.4	-84	-174.5	60.3	0	0	105.9	H370	M130-H370 WeakPolarHBondContact CE-NE2 3.47Å
131	I	27.7	Very low	25.9	Very low	151 Å²	151	137.2 Å²	137.2	77%	0.774	78%	0.776	S	S	*	*			trans	-132.1	117	158	-58.9	-179.6	0	0	0	106.3
132	S	25.6	Very low	25.9	Very low	91 Å²	91	138.8 Å²	138.8	64%	0.636	78%	0.779	S	S	*	*			trans	-50.6	129.5	170.6	173.6	0	0	0	0	111.6	H134	S132-H134 PolarHBondContact OG-N 2.99Å
133	E	25.6	Very low	26	Very low	163 Å²	163	136 Å²	136	76%	0.762	79%	0.788	S	S	*	*			trans	-119.3	82.3	150.7	-76	-169.5	169.9	0	0	108.3	C135	E133-C135 PolarHBondContact O-N 3.28Å
134	H	25.1	Very low	26.1	Very low	175 Å²	175	136.7 Å²	136.7	81%	0.81	79%	0.792	S	S	*	*			trans	-73.4	101.2	148.5	-92.2	58.1	0	0	0	107.8	S132	S132-H134 PolarHBondContact OG-N 2.99Å
135	C	25.7	Very low	26.3	Very low	111 Å²	111	142 Å²	142	75%	0.75	79%	0.793	S	S	*	*			trans	-121	94.1	162.8	-81.8	0	0	0	0	109.3	E133	E133-C135 PolarHBondContact O-N 3.28Å
136	N	22.1	Very low	26.6	Very low	158 Å²	158	141.7 Å²	141.7	85%	0.845	79%	0.79	S	S	*	*			trans	-55.7	127.8	153.6	-89.6	-23.5	0	0	0	109.1
137	T	27.2	Very low	26.7	Very low	131 Å²	131	145.2 Å²	145.2	80%	0.804	79%	0.793	S	S	*	*			trans	-158.7	98.7	143	-6	0	0	0	0	110.5
138	S	22.4	Very low	27	Very low	94 Å²	94	142.9 Å²	142.9	66%	0.657	79%	0.791	S	S	*	*			trans	-56.2	139.4	148.9	51.5	0	0	0	0	109.6
139	Y	24.5	Very low	27	Very low	196 Å²	196	147.1 Å²	147.1	77%	0.769	79%	0.789	S	S	*	*			trans	173.3	138.7	134.8	-94.9	-68.9	0	0	0	111.9
140	F	29.7	Very low	27	Very low	183 Å²	183	149.6 Å²	149.6	80%	0.803	79%	0.792	S	S	*	*			trans	83.8	140.3	165	-55	-74.9	0	0	0	118.6
141	K	28.5	Very low	27.1	Very low	190 Å²	190	150 Å²	150	83%	0.826	79%	0.792	S	S	*	*			cis	-177.1	138.1	-29.2	-155.8	173.9	178.9	179.4	0	103.6
142	D	25.4	Very low	26.9	Very low	170 Å²	170	153.6 Å²	153.6	91%	0.909	80%	0.796	S	S	*	*			trans	-57.2	152.1	-175.4	-58.1	-64.6	0	0	0	115.6
143	G	31.5	Very low	27	Very low	80 Å²	80	154 Å²	154	83%	0.825	80%	0.796	S	S	*	*			trans	-167.6	96.2	169.5	0	0	0	0	0	112
144	D	27.6	Very low	26.9	Very low	161 Å²	161	153.6 Å²	153.6	86%	0.861	80%	0.799	S	S	*	*			trans	-43.8	142.9	175.9	-81.1	-47.5	0	0	0	116.4
145	R	31.3	Very low	27	Very low	235 Å²	235	154.2 Å²	154.2	89%	0.887	80%	0.802	S	S	*	*				-177.6	102.6	123.4	-101.1	171.2	178.6	-172.1	-0.5	113.9
146	S	31.6	Very low	27	Very low	98 Å²	98	154.1 Å²	154.1	69%	0.685	80%	0.802	S	S	*	*			trans	34.4	118.6	131	61.8	0	0	0	0	122.2
147	D	26.7	Very low	27.2	Very low	143 Å²	143	154 Å²	154	77%	0.765	80%	0.801	S	S	*	*			trans	56.2	113	132	-75.1	-24.2	0	0	0	122.2
148	S	31	Very low	27.1	Very low	121 Å²	121	154.5 Å²	154.5	85%	0.846	80%	0.797	S	S	*	*				-154.3	107.6	124.2	59.5	0	0	0	0	110.8
149	H	26.3	Very low	27.4	Very low	170 Å²	170	154.4 Å²	154.4	79%	0.787	79%	0.793	S	S	*	*			trans	-49.6	131.3	170	-87.6	-98.3	0	0	0	113.5
150	L	28.4	Very low	27.5	Very low	166 Å²	166	151.7 Å²	151.7	87%	0.869	79%	0.791	S	S	*	*			trans	-153.3	120.3	145.8	-96.3	166.5	0	0	0	109.4
151	H	25.4	Very low	27.6	Very low	163 Å²	163	150.4 Å²	150.4	76%	0.755	79%	0.793	S	S	*	*			trans	-94.1	127.8	-171.2	-168.1	-48.2	0	0	0	109.8
152	W	23.5	Very low	27.7	Very low	227 Å²	227	150 Å²	150	86%	0.86	79%	0.793	S	S	*	*			trans	-126.2	132.9	164	-73.5	95	0	0	0	110.4
153	P	27.2	Very low	27.9	Very low	98 Å²	98	148.9 Å²	148.9	64%	0.636	79%	0.788	S	S	*	*			trans	-84.6	148.6	-172.7	33.5	-32.7	0	0	0	113	H155	P153-H155 PolarHBondContact O-N 2.96Å
154	N	24.1	Very low	27.9	Very low	156 Å²	156	149.4 Å²	149.4	83%	0.834	78%	0.784	S	S	*	*			trans	-48.4	121	166.1	-77.1	-30.7	0	0	0	112
155	H	26.5	Very low	27.9	Very low	187 Å²	187	147 Å²	147	87%	0.866	78%	0.78	S	S	*	*			trans	168.4	113	149.2	-96.2	-68.8	0	0	0	109.3	P153	P153-H155 PolarHBondContact O-N 2.96Å
156	S	26.3	Very low	27.7	Very low	109 Å²	109	143 Å²	143	76%	0.762	78%	0.776	S	S	*	*			trans	176.8	112.9	149	18.8	0	0	0	0	108.1
157	L	26	Very low	27.8	Very low	155 Å²	155	147.1 Å²	147.1	81%	0.812	79%	0.787	S	S	*	*				41.7	115.2	99.3	-107.2	87.5	0	0	0	112	T159	L157-T159 PolarHBondContact O-N 3.3Å; L157-T159 PolarHBondContact O-OG1 3.35Å
158	I	25.8	Very low	27.9	Very low	142 Å²	142	145.4 Å²	145.4	73%	0.728	79%	0.786	S	S	*	*			trans	-65.3	86.2	162.7	-62.4	167.1	0	0	0	105.9	L160	I158-L160 PolarHBondContact O-N 2.83Å
159	T	27.5	Very low	28	Very low	93 Å²	93	148 Å²	148	57%	0.571	79%	0.789	S	S	*	*			trans	-72.1	120.7	164.1	-47.1	0	0	0	0	105.6	L157 D161	L157-T159 PolarHBondContact O-N 3.3Å; L157-T159 PolarHBondContact O-OG1 3.35Å; T159-D161 PolarHBondContact O-N 3.39Å
160	L	27.6	Very low	28.5	Very low	138 Å²	138	147.9 Å²	147.9	72%	0.723	80%	0.795	S	S	*	*			trans	-58.1	106.4	162.7	-70.3	160.5	0	0	0	105.8	I158 E162	I158-L160 PolarHBondContact O-N 2.83Å; L160-E162 PolarHBondContact O-N 3.37Å
161	D	31.1	Very low	28.5	Very low	157 Å²	157	149.2 Å²	149.2	84%	0.84	79%	0.793	S	S	*	*			trans	-61.8	108.9	175.3	-78.8	-34.9	0	0	0	108.7	T159	T159-D161 PolarHBondContact O-N 3.39Å
162	E	31.5	Very low	29	Very low	180 Å²	180	146.9 Å²	146.9	84%	0.841	80%	0.795	S	S	*	*			trans	-71.4	112.2	168.9	-67.2	178.7	147	0	0	108.5	L160	L160-E162 PolarHBondContact O-N 3.37Å
163	D	28.5	Very low	29.4	Very low	148 Å²	148	142.9 Å²	142.9	79%	0.791	79%	0.791	S	S	*	*			trans	-129.7	66.3	157.9	-92.8	-24.9	0	0	0	107.7
164	A	31.3	Very low	29.6	Very low	91 Å²	91	144.9 Å²	144.9	75%	0.752	80%	0.796	S	S	*	*			trans	-143.9	49.7	166.9	0	0	0	0	0	110.1
165	S	27.7	Very low	30	Very low	111 Å²	111	147.5 Å²	147.5	78%	0.776	80%	0.796	S	S	*	*			trans	-77.6	137.5	156	52.1	0	0	0	0	109.1
166	D	28.8	Very low	30.2	Very low	151 Å²	151	142.2 Å²	142.2	81%	0.807	79%	0.785	S	S	*	*			trans	96.6	85.3	163	-132.2	9.6	0	0	0	116.5
167	M	33.6	Very low	30.2	Very low	184 Å²	184	145.1 Å²	145.1	91%	0.906	79%	0.792	S	S	*	*			trans	-167.5	84.6	140.5	-92.2	-66.3	-102.2	0	0	107.5
168	S	27.3	Very low	30.5	Very low	106 Å²	106	141.2 Å²	141.2	74%	0.741	79%	0.789	S	S	*	*			trans	-59.3	125.9	164.7	-73.1	0	0	0	0	110.6
169	L	34.2	Very low	30.7	Very low	176 Å²	176	140.3 Å²	140.3	92%	0.921	79%	0.793	S	S	*	*			trans	-150.9	124.9	145.2	-83.3	-174	0	0	0	110.8
170	D	35.3	Very low	30.7	Very low	167 Å²	167	140.4 Å²	140.4	89%	0.893	80%	0.797	S	S	*	*			trans	-61.2	150.9	179.8	-95.4	-43.1	0	0	0	114.2
171	K	30.2	Very low	30.9	Very low	194 Å²	194	141.9 Å²	141.9	84%	0.843	81%	0.806	S	S	*	*			trans	-73.8	143.3	167.5	-76.6	178.4	171.9	179.7	0	111.5
172	S	35.8	Very low	30.7	Very low	114 Å²	114	141.4 Å²	141.4	80%	0.797	80%	0.803	S	S	*	*			trans	-158.5	114.8	131.7	58.7	0	0	0	0	110.7
173	D	30.6	Very low	30.9	Very low	144 Å²	144	140.5 Å²	140.5	77%	0.77	80%	0.804	S	S	*	*			trans	-62.5	143.2	158.3	-65.3	-58	0	0	0	109.8
174	D	32.7	Very low	30.9	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	81%	0.812	S	S	*	*				-177.2	126.9	128.7	-99.3	-16.5	0	0	0	114.5
175	Y	32.5	Very low	31	Very low	211 Å²	211	150.2 Å²	150.2	83%	0.827	82%	0.818	S	S	*	*			trans	64.6	113.3	147.6	-72.3	-78.2	0	0	0	123.9
176	A	29.4	Very low	31.4	Very low	77 Å²	77	149.1 Å²	149.1	64%	0.636	82%	0.816	S	S	*	*				104.6	114.6	112.6	0	0	0	0	0	121
177	N	27.9	Very low	31.6	Very low	169 Å²	169	147.5 Å²	147.5	90%	0.904	81%	0.813	S	S	*	*			trans	66.3	115.7	135.2	-65	-27.5	0	0	0	121.4
178	G	30.2	Very low	31.6	Very low	74 Å²	74	145.3 Å²	145.3	76%	0.763	80%	0.804	S	S	*	*			trans	165.9	145.5	153.5	0	0	0	0	0	113.3
179	P	31.6	Very low	31.9	Very low	123 Å²	123	146.6 Å²	146.6	80%	0.799	80%	0.801	S	S	*	*				-110.8	152.1	-128.7	38.9	-32.5	0	0	0	116.9
180	S	27.3	Very low	31.8	Very low	95 Å²	95	146.9 Å²	146.9	66%	0.664	80%	0.795	S	S	*	*			trans	37	116.2	143.3	63.5	0	0	0	0	120.2
181	D	31.8	Very low	31.6	Very low	169 Å²	169	142.8 Å²	142.8	90%	0.904	78%	0.776	S	S	*	*			trans	-134.4	119	140.7	-117.7	-20.1	0	0	0	110.8	N183	D181-N183 PolarHBondContact O-N 3.42Å
182	N	27.6	Very low	31.7	Very low	147 Å²	147	142 Å²	142	79%	0.786	78%	0.776	S	S	*	*			trans	-83.4	107.2	-175.3	-75.9	-53.5	0	0	0	110
183	N	34.5	Very low	31.4	Very low	160 Å²	160	144.7 Å²	144.7	86%	0.856	77%	0.769	S	S	*	*			trans	-118.8	102.5	158.4	-85.9	-37.5	0	0	0	109.4	D181 E185	D181-N183 PolarHBondContact O-N 3.42Å; N183-E185 PolarHBondContact O-N 2.99Å
184	R	29.6	Very low	31.5	Very low	252 Å²	252	143.1 Å²	143.1	95%	0.951	77%	0.767	S	S	*	*			trans	-55.3	112.3	172.9	-82.7	174.4	159.7	154.4	-5.6	110
185	E	32.1	Very low	31.4	Very low	192 Å²	192	144.2 Å²	144.2	90%	0.897	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-76.7	136	167.8	-132.7	164.2	-174.6	0	0	109.6	N183	N183-E185 PolarHBondContact O-N 2.99Å
186	A	36.4	Very low	31.1	Very low	87 Å²	87	142.4 Å²	142.4	72%	0.719	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-67.4	146.3	-175.8	0	0	0	0	0	111.5
187	P	32.4	Very low	31.2	Very low	117 Å²	117	146.9 Å²	146.9	76%	0.76	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-67.8	135.2	-178	27.5	-32.2	0	0	0	111.4	I189	P187-I189 PolarHBondContact O-N 3.04Å
188	I	34.9	Very low	31.3	Very low	138 Å²	138	144.3 Å²	144.3	71%	0.708	77%	0.774	S	S	*	*			trans	-60.8	112.6	171.9	-62.7	169.7	0	0	0	108.3	K190	I188-K190 PolarHBondContact O-N 3.09Å
189	I	32.6	Very low	31.2	Very low	134 Å²	134	149.4 Å²	149.4	69%	0.687	78%	0.778	S	S	*	*			trans	-81.3	103.1	173	-57.1	175.9	0	0	0	107.5	P187 T191	P187-I189 PolarHBondContact O-N 3.04Å; I189-T191 WeakPolarHBondContact CG2-OG1 3.48Å; I189-T191 PolarHBondContact O-N 3.44Å
190	K	31.7	Very low	31.2	Very low	181 Å²	181	152.1 Å²	152.1	79%	0.787	78%	0.784	S	S	*	*			trans	-72.2	107.8	153.7	-84.5	-179.4	176.3	175.8	0	106.9	I188 E192	I188-K190 PolarHBondContact O-N 3.09Å; K190-E192 PolarHBondContact O-N 3.37Å
191	T	31.8	Very low	31.4	Very low	82 Å²	82	157.3 Å²	157.3	50%	0.503	80%	0.795	S	S	.	*			trans	-87.2	96.2	167.9	-41	0	0	0	0	107.3	I189 Y193	I189-T191 WeakPolarHBondContact CG2-OG1 3.48Å; I189-T191 PolarHBondContact O-N 3.44Å; T191-Y193 PolarHBondContact O-N 3.26Å
192	E	32.5	Very low	31.4	Very low	177 Å²	177	154.5 Å²	154.5	83%	0.827	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-64.9	123.3	155	-79.2	176.7	170.9	0	0	106.9	K190 P194	K190-E192 PolarHBondContact O-N 3.37Å; E192-P194 WeakPolarHBondContact O-CD 3.34Å
193	Y	30.1	Very low	31.7	Very low	170 Å²	170	153 Å²	153	67%	0.667	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.4	124.9	175	-81.3	-93.8	0	0	0	109.2	T191	T191-Y193 PolarHBondContact O-N 3.26Å
194	P	31.1	Very low	31.7	Very low	112 Å²	112	153.5 Å²	153.5	73%	0.727	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-74.7	136	175.5	28.4	-28.4	0	0	0	110	E192 L196	E192-P194 WeakPolarHBondContact O-CD 3.34Å; P194-L196 PolarHBondContact O-N 3.17Å
195	H	31.5	Very low	31.8	Very low	162 Å²	162	149 Å²	149	75%	0.75	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-52.8	131.1	172.5	-159.7	-73.6	0	0	0	110.1	E197	H195-E197 PolarHBondContact O-N 3.3Å
196	L	26.9	Very low	31.8	Very low	172 Å²	172	144 Å²	144	90%	0.901	77%	0.769	S	S	*	*			trans	-69.2	100.2	174.7	-132	98.2	0	0	0	108.1	P194	P194-L196 PolarHBondContact O-N 3.17Å
197	E	30.6	Very low	31.4	Very low	171 Å²	171	148.4 Å²	148.4	80%	0.799	78%	0.777	S	S	*	*			trans	-138.3	139.6	162.2	-116.5	168.6	-177.3	0	0	110	H195	H195-E197 PolarHBondContact O-N 3.3Å
198	S	30.8	Very low	31.4	Very low	115 Å²	115	153.3 Å²	153.3	80%	0.804	78%	0.781	S	S	*	*			trans	-60.5	134.4	-161.9	49.9	0	0	0	0	115.7
199	Q	26.5	Very low	31.3	Very low	182 Å²	182	152.6 Å²	152.6	85%	0.85	78%	0.783	S	S	*	*			trans	7.3	125.7	154.9	-57.8	-171.2	19.8	0	0	118.7
200	I	32.2	Very low	31.2	Very low	179 Å²	179	151.7 Å²	151.7	92%	0.918	79%	0.789	S	S	*	*				-163.1	140.9	128.5	-87.7	139.8	0	0	0	109.4
201	K	31.9	Very low	31.3	Very low	204 Å²	204	149.1 Å²	149.1	89%	0.887	79%	0.79	S	S	*	*			trans	-75.7	146.3	-165.6	-69.9	166.7	170.9	174.2	0	116.3
202	S	31.4	Very low	31.2	Very low	111 Å²	111	150.5 Å²	150.5	78%	0.776	80%	0.803	S	S	*	*			trans	-72.7	-177.7	162.2	-37.5	0	0	0	0	112.9
203	P	35.2	Very low	31.3	Very low	115 Å²	115	147.8 Å²	147.8	75%	0.747	80%	0.804	S	S	*	*				-149.8	152.1	55.6	33.5	-7.7	0	0	0	116.9
204	E	33.3	Very low	31.2	Very low	171 Å²	171	149.2 Å²	149.2	80%	0.799	82%	0.817	S	S	*	*				97.4	149.3	88.5	-162.8	-177.6	162.1	0	0	116.9
205	L	31.8	Very low	31.1	Very low	157 Å²	157	147.2 Å²	147.2	82%	0.822	82%	0.816	S	S	*	*			trans	98.1	133.8	164.5	-71.6	116.4	0	0	0	117.3
206	A	32.6	Very low	31	Very low	87 Å²	87	151.7 Å²	151.7	72%	0.719	83%	0.827	S	S	*	*			cis	-167.5	150	3.2	0	0	0	0	0	112.9
207	M	27.7	Very low	31.1	Very low	180 Å²	180	149 Å²	149	89%	0.887	82%	0.822	S	S	*	*			trans	13.2	130.8	143.3	-105.2	-173.7	159.4	0	0	122.9
208	R	31.5	Very low	30.9	Very low	219 Å²	219	145.4 Å²	145.4	83%	0.826	82%	0.822	S	S	*	*				166.3	138.8	105.4	-100.4	-168.8	175.1	-155.3	-1.3	116.4
209	T	33.4	Very low	30.8	Very low	123 Å²	123	147.5 Å²	147.5	76%	0.755	82%	0.822	S	S	*	*			trans	70.2	119.3	141.7	57	0	0	0	0	123.7
210	S	30.9	Very low	30.9	Very low	116 Å²	116	147.6 Å²	147.6	81%	0.811	82%	0.823	S	S	*	*			trans	-80.7	164	158.8	-4.9	0	0	0	0	112.4
211	P	34.6	Very low	30.8	Very low	127 Å²	127	150.1 Å²	150.1	83%	0.825	82%	0.822	S	S	*	*				-147.8	173.4	102	36	-16.6	0	0	0	116.7
212	S	29.3	Very low	30.7	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	81%	0.813	S	S	*	*			trans	-53	151.4	-177.3	55.1	0	0	0	0	119.4
213	S	34.3	Very low	30.6	Very low	121 Å²	121	144.3 Å²	144.3	85%	0.846	82%	0.818	S	S	*	*				-176.5	162.9	119	60.2	0	0	0	0	112.3
214	E	27.9	Very low	30.3	Very low	199 Å²	199	142.5 Å²	142.5	93%	0.93	82%	0.82	S	S	*	*			trans	-68.9	152.2	-161.6	-58.2	162.6	143.8	0	0	115.3
215	G	29.2	Very low	30.7	Very low	70 Å²	70	141 Å²	141	72%	0.722	82%	0.818	S	S	*	*			trans	-173.9	96.3	169.8	0	0	0	0	0	112.7	S217	G215-S217 PolarHBondContact O-N 3.1Å
216	R	29.1	Very low	31.3	Very low	256 Å²	256	142.7 Å²	142.7	97%	0.966	82%	0.821	S	S	*	*			trans	-54.7	125.3	164.7	-81.1	172.5	158.4	176.6	-5.9	110
217	S	28.2	Very low	32.1	Very low	115 Å²	115	142.9 Å²	142.9	80%	0.804	81%	0.806	S	S	*	*			trans	-148	135.8	166	-56.1	0	0	0	0	111	G215	G215-S217 PolarHBondContact O-N 3.1Å
218	A	26.7	Very low	34	Very low	96 Å²	96	139.1 Å²	139.1	79%	0.793	79%	0.79	S	S	*	*			trans	-55.6	143.7	-174	0	0	0	0	0	114.9	Q220	A218-Q220 PolarHBondContact O-N 3.03Å; A218-Q220 VanDerWaalsContact O-N 3.17Å
219	I	30	Very low	35.5	Very low	159 Å²	159	133 Å²	133	82%	0.815	77%	0.767	S	S	*	*			trans	-77	100.1	165.3	-61.6	175.4	0	0	0	107.4
220	Q	28.8	Very low	37.1	Very low	185 Å²	185	131.6 Å²	131.6	86%	0.864	76%	0.755	S	S	*	*			trans	-82.7	115.2	170.2	-151.9	167.9	4.9	0	0	107.5	A218 G222	A218-Q220 PolarHBondContact O-N 3.03Å; A218-Q220 VanDerWaalsContact O-N 3.17Å; Q220-G222 PolarHBondContact O-N 3.33Å
221	Y	28.3	Very low	39	Very low	231 Å²	231	128.4 Å²	128.4	91%	0.906	74%	0.736	S	S	*	*			trans	-66.1	109.2	167.6	-84.6	-97.5	0	0	0	108.7
222	G	30.1	Very low	40.2	Very low	67 Å²	67	123.3 Å²	123.3	69%	0.691	70%	0.701	S	S	*	*			trans	-119.1	112.5	162.1	0	0	0	0	0	107.6	Q220	Q220-G222 PolarHBondContact O-N 3.33Å
223	S	30.7	Very low	41.8	Very low	127 Å²	127	118.9 Å²	118.9	89%	0.888	67%	0.67	S	S	*	*				67.3	94.9	79.2	174.3	0	0	0	0	113
224	G	29.1	Very low	43.2	Very low	76 Å²	76	115.6 Å²	115.6	78%	0.784	65%	0.65	S	S	*	*			trans	88.2	68.8	146.4	0	0	0	0	0	118.3	E226	G224-E226 PolarHBondContact O-N 3.32Å
225	D	41.5	Very low	44.8	Very low	140 Å²	140	109.7 Å²	109.7	75%	0.749	62%	0.622	S	S	*	*			trans	-75.2	100.9	157.1	-107.6	17.7	0	0	0	108.2	F227 K860	D225-F227 PolarHBondContact O-N 2.98Å; D225-K860 IonicContact OD2-NZ 2.86Å; D225-K860 PolarHBondContact OD2-NZ 2.98Å
226	E	42.6	Very low	46	Very low	192 Å²	192	108 Å²	108	90%	0.897	60%	0.597	S	S	*	*			trans	-55.2	127.4	174.4	-164.1	168.6	-177.6	0	0	110	G224 D228	G224-E226 PolarHBondContact O-N 3.32Å; E226-D228 PolarHBondContact O-N 2.72Å
227	F	50.1	Low	47.3	Very low	92 Å²	92	102.8 Å²	102.8	40%	0.404	58%	0.578	S	S	.	*			trans	-83.9	101.1	-175.3	173.1	-105.3	0	0	0	109.5	D225 Y229 M232	D225-F227 PolarHBondContact O-N 2.98Å; F227-Y229 AromaticContact CE1-CD2 3.46Å; F227-Y229 HydrophobicContact CE1-CD2 3.46Å; F227-Y229 VanDerWaalsContact CE1-CD2 3.46Å; F227-Y229 HydrophobicContact CE1-CE2 4.46Å; F227-Y229 HydrophobicContact CE1-CG 4.06Å; F227-Y229 AromaticContact CZ-CD2 3.82Å; F227-Y229 HydrophobicContact CZ-CD2 3.82Å; F227-Y229 PolarHBondContact O-N 3.36Å; F227-M232 HydrophobicContact CZ-SD 4.45Å
228	D	66.9	Low	48.7	Very low	101 Å²	101	103 Å²	103	54%	0.54	57%	0.568	S	S	.	*			trans	-77.1	88.5	174.3	-171.6	-9.7	0	0	0	110.5	E226 D230 A231	E226-D228 PolarHBondContact O-N 2.72Å; D228-D230 VanDerWaalsContact C-N 3.29Å; D228-D230 PolarHBondContact OD1-N 2.77Å; D228-D230 VanDerWaalsContact OD1-N 3.14Å; D228-A231 HydrophobicContact CB-CB 4.21Å; D228-A231 VanDerWaalsContact CG-CB 3.47Å; D228-A231 PolarHBondContact OD1-N 2.95Å; D228-A231 WeakPolarHBondContact OD2-CB 3.04Å
229	Y	64.8	Low	50	Low	90 Å²	90	100.4 Å²	100.4	35%	0.353	54%	0.54	S	S	.	.	H	α-helix	trans	-65.6	-34.2	175.5	-172.3	-107	0	0	0	111.7	F227 M232 V233 F908	F227-Y229 AromaticContact CE1-CD2 3.46Å; F227-Y229 HydrophobicContact CE1-CD2 3.46Å; F227-Y229 VanDerWaalsContact CE1-CD2 3.46Å; F227-Y229 HydrophobicContact CE1-CE2 4.46Å; F227-Y229 HydrophobicContact CE1-CG 4.06Å; F227-Y229 AromaticContact CZ-CD2 3.82Å; F227-Y229 HydrophobicContact CZ-CD2 3.82Å; F227-Y229 PolarHBondContact O-N 3.36Å; Y229-M232 WeakPolarHBondContact O-CB 3.18Å; Y229-M232 PolarHBondContact O-N 2.73Å; Y229-V233 HydrophobicContact CD1-CG2 3.86Å; Y229-V233 HydrophobicContact CE1-CG2 3.64Å; Y229-V233 HydrophobicContact CG-CG2 4.45Å; Y229-V233 WeakPolarHBondContact O-CG2 3.5Å; Y229-V233 PolarHBondContact O-N 3.5Å; Y229-F908 HydrophobicContact CE2-CD1 4.18Å
230	D	66.4	Low	50.6	Low	93 Å²	93	95.5 Å²	95.5	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-66.8	-42	-176.9	-71.4	-31.8	0	0	0	111.4	D228 M232 V233 A234	D228-D230 VanDerWaalsContact C-N 3.29Å; D228-D230 PolarHBondContact OD1-N 2.77Å; D228-D230 VanDerWaalsContact OD1-N 3.14Å; D230-M232 VanDerWaalsContact C-N 3.28Å; D230-M232 PolarHBondContact O-N 2.92Å; D230-V233 PolarHBondContact O-N 2.87Å; D230-A234 VanDerWaalsContact O-CB 3.3Å; D230-A234 WeakPolarHBondContact O-CB 3.43Å; D230-A234 PolarHBondContact O-N 2.88Å
231	A	69.9	Low	51.3	Low	50 Å²	50	91.9 Å²	91.9	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-60.5	-38.3	174.1	0	0	0	0	0	112.4	D228 A234 Q235	D228-A231 HydrophobicContact CB-CB 4.21Å; D228-A231 VanDerWaalsContact CG-CB 3.47Å; D228-A231 PolarHBondContact OD1-N 2.95Å; D228-A231 WeakPolarHBondContact OD2-CB 3.04Å; A231-A234 PolarHBondContact O-N 3.2Å; A231-Q235 WeakPolarHBondContact O-CB 3.36Å; A231-Q235 PolarHBondContact O-N 3.25Å
232	M	61.2	Low	52.1	Low	19 Å²	19	86.2 Å²	86.2	9%	0.094	49%	0.492	C	S	.	.	H	α-helix	trans	-69.6	-42.3	178	-171.6	-174.1	-140	0	0	112.1	F227 Y229 D230 A234 Q235 T236 M863 T867 F908	F227-M232 HydrophobicContact CZ-SD 4.45Å; Y229-M232 WeakPolarHBondContact O-CB 3.18Å; Y229-M232 PolarHBondContact O-N 2.73Å; D230-M232 VanDerWaalsContact C-N 3.28Å; D230-M232 PolarHBondContact O-N 2.92Å; M232-A234 VanDerWaalsContact C-N 3.34Å; M232-Q235 PolarHBondContact O-N 2.94Å; M232-T236 PolarHBondContact O-N 2.87Å; M232-T236 PolarHBondContact O-OG1 3.37Å; M232-M863 HydrophobicContact CE-CB 3.58Å; M232-M863 VanDerWaalsContact CE-O 3.22Å; M232-M863 WeakPolarHBondContact CE-O 3.32Å; M232-M863 HydrophobicContact SD-CB 4.38Å; M232-T867 WeakPolarHBondContact CE-OG1 3.42Å; M232-T867 HydrophobicContact CG-CG2 4.44Å; M232-F908 HydrophobicContact CE-CZ 3.89Å; M232-F908 HydrophobicContact CG-CE2 4.28Å; M232-F908 HydrophobicContact CG-CZ 4.37Å; M232-F908 HydrophobicContact SD-CE1 4.11Å; M232-F908 HydrophobicContact SD-CE2 4.14Å; M232-F908 HydrophobicContact SD-CZ 3.64Å
233	V	62.9	Low	52.5	Low	18 Å²	18	87.1 Å²	87.1	11%	0.109	48%	0.48	C	S	.	.	H	α-helix	trans	-63.3	-42.7	174.3	171.7	0	0	0	0	110.1	Y229 D230 Q235 T236 R237	Y229-V233 HydrophobicContact CD1-CG2 3.86Å; Y229-V233 HydrophobicContact CE1-CG2 3.64Å; Y229-V233 HydrophobicContact CG-CG2 4.45Å; Y229-V233 WeakPolarHBondContact O-CG2 3.5Å; Y229-V233 PolarHBondContact O-N 3.5Å; D230-V233 PolarHBondContact O-N 2.87Å; V233-Q235 PolarHBondContact O-N 3.18Å; V233-T236 WeakPolarHBondContact O-CB 3.32Å; V233-T236 PolarHBondContact O-N 2.86Å; V233-R237 WeakPolarHBondContact O-CG 3Å; V233-R237 PolarHBondContact O-N 3Å
234	A	63.7	Low	53	Low	51 Å²	51	85.5 Å²	85.5	42%	0.421	46%	0.457	S	S	.	.	H	α-helix	trans	-60.5	-45.6	175.7	0	0	0	0	0	111.8	D230 A231 M232 T236 R237 M238	D230-A234 VanDerWaalsContact O-CB 3.3Å; D230-A234 WeakPolarHBondContact O-CB 3.43Å; D230-A234 PolarHBondContact O-N 2.88Å; A231-A234 PolarHBondContact O-N 3.2Å; M232-A234 VanDerWaalsContact C-N 3.34Å; A234-T236 VanDerWaalsContact C-N 3.32Å; A234-T236 PolarHBondContact O-N 2.84Å; A234-R237 PolarHBondContact O-N 3.16Å; A234-M238 WeakPolarHBondContact O-CG 3.4Å; A234-M238 PolarHBondContact O-N 3.04Å
235	Q	61.3	Low	53.5	Low	76 Å²	76	87.9 Å²	87.9	36%	0.355	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-41.7	175.3	-167.7	-176.8	2.9	0	0	111.6	A231 M232 V233 R237 M238 I239 Y674	A231-Q235 WeakPolarHBondContact O-CB 3.36Å; A231-Q235 PolarHBondContact O-N 3.25Å; M232-Q235 PolarHBondContact O-N 2.94Å; V233-Q235 PolarHBondContact O-N 3.18Å; Q235-R237 VanDerWaalsContact C-N 3.35Å; Q235-R237 PolarHBondContact O-N 2.84Å; Q235-M238 PolarHBondContact O-N 3.36Å; Q235-I239 HydrophobicContact CG-CD1 4.31Å; Q235-I239 WeakPolarHBondContact O-CG1 3.25Å; Q235-I239 PolarHBondContact O-N 3.5Å; Q235-Y674 PolarHBondContact NE2-OH 2.84Å; Q235-Y674 VanDerWaalsContact NE2-OH 3.1Å
236	T	54.5	Low	53.6	Low	33 Å²	33	82.9 Å²	82.9	20%	0.202	42%	0.423	C	S	.	.	H	α-helix	trans	-61.6	-42.7	176.2	-55	0	0	0	0	111.4	M232 V233 A234 I239 A240 F908	M232-T236 PolarHBondContact O-N 2.87Å; M232-T236 PolarHBondContact O-OG1 3.37Å; V233-T236 WeakPolarHBondContact O-CB 3.32Å; V233-T236 PolarHBondContact O-N 2.86Å; A234-T236 VanDerWaalsContact C-N 3.32Å; A234-T236 PolarHBondContact O-N 2.84Å; T236-I239 PolarHBondContact O-N 2.87Å; T236-A240 PolarHBondContact O-N 2.77Å; T236-F908 HydrophobicContact CG2-CD2 4.43Å
237	R	55.6	Low	53.6	Low	148 Å²	148	78.3 Å²	78.3	56%	0.558	40%	0.403	S	S	*	.	H	α-helix	trans	-63.2	-40.2	174.3	-73.8	-178.1	-175.2	166.7	3.9	112.3	V233 A234 Q235 I239 A240 N241	V233-R237 WeakPolarHBondContact O-CG 3Å; V233-R237 PolarHBondContact O-N 3Å; A234-R237 PolarHBondContact O-N 3.16Å; Q235-R237 VanDerWaalsContact C-N 3.35Å; Q235-R237 PolarHBondContact O-N 2.84Å; R237-I239 PolarHBondContact O-N 3.31Å; R237-A240 PolarHBondContact O-N 3.46Å; R237-N241 VanDerWaalsContact O-CG 3.29Å; R237-N241 PolarHBondContact O-N 3.12Å; R237-N241 PolarHBondContact O-ND2 3.22Å
238	M	57.3	Low	53.6	Low	119 Å²	119	76.9 Å²	76.9	59%	0.586	40%	0.399	S	S	*	.	H	α-helix	trans	-62.5	-42.7	176.4	-63.7	-146.6	-42.7	0	0	112.2	A234 Q235 A240 N241 Q242	A234-M238 WeakPolarHBondContact O-CG 3.4Å; A234-M238 PolarHBondContact O-N 3.04Å; Q235-M238 PolarHBondContact O-N 3.36Å; M238-A240 VanDerWaalsContact C-N 3.34Å; M238-N241 PolarHBondContact O-N 3.19Å; M238-Q242 PolarHBondContact O-N 2.83Å
239	I	54.3	Low	53	Low	42 Å²	42	78.4 Å²	78.4	22%	0.215	40%	0.403	C	S	.	.	H	α-helix	trans	-64.7	-40.6	177	-64.1	164.5	0	0	0	110.5	Q235 T236 R237 N241 Q242 N243	Q235-I239 HydrophobicContact CG-CD1 4.31Å; Q235-I239 WeakPolarHBondContact O-CG1 3.25Å; Q235-I239 PolarHBondContact O-N 3.5Å; T236-I239 PolarHBondContact O-N 2.87Å; R237-I239 PolarHBondContact O-N 3.31Å; I239-N241 VanDerWaalsContact C-N 3.33Å; I239-N241 PolarHBondContact O-N 2.89Å; I239-Q242 PolarHBondContact O-N 2.7Å; I239-N243 PolarHBondContact O-N 2.78Å; I239-N243 VanDerWaalsContact O-N 3.16Å; I239-N243 PolarHBondContact O-ND2 3.09Å
240	A	43.2	Very low	52.2	Low	55 Å²	55	78.2 Å²	78.2	46%	0.455	41%	0.408	S	S	.	.	H	α-helix	trans	-60.6	-41.6	174.5	0	0	0	0	0	112	T236 R237 M238 N243 F244	T236-A240 PolarHBondContact O-N 2.77Å; R237-A240 PolarHBondContact O-N 3.46Å; M238-A240 VanDerWaalsContact C-N 3.34Å; A240-N243 PolarHBondContact O-N 2.85Å; A240-F244 PolarHBondContact O-N 3.34Å
241	N	43.6	Very low	51.9	Low	109 Å²	109	79.1 Å²	79.1	58%	0.583	41%	0.408	S	S	*	.	H	α-helix	trans	-66.7	-35.8	176.8	-70.7	-17.7	0	0	0	113	R237 M238 I239 F244 Q245	R237-N241 VanDerWaalsContact O-CG 3.29Å; R237-N241 PolarHBondContact O-N 3.12Å; R237-N241 PolarHBondContact O-ND2 3.22Å; M238-N241 PolarHBondContact O-N 3.19Å; I239-N241 VanDerWaalsContact C-N 3.33Å; I239-N241 PolarHBondContact O-N 2.89Å; N241-F244 WeakPolarHBondContact O-CB 3.23Å; N241-F244 PolarHBondContact O-N 3.11Å; N241-Q245 PolarHBondContact O-N 3.38Å
242	Q	45	Very low	51.6	Low	113 Å²	113	79.1 Å²	79.1	53%	0.528	41%	0.408	S	S	.	.	H	α-helix	trans	-64.1	-40.4	174.2	-75.4	177.3	-8.3	0	0	112	M238 I239 F244 Q245 T246	M238-Q242 PolarHBondContact O-N 2.83Å; I239-Q242 PolarHBondContact O-N 2.7Å; Q242-F244 PolarHBondContact O-N 3.48Å; Q242-Q245 PolarHBondContact O-N 2.87Å; Q242-T246 PolarHBondContact O-N 2.86Å; Q242-T246 VanDerWaalsContact O-N 3.12Å
243	N	38.3	Very low	51.4	Low	85 Å²	85	81.1 Å²	81.1	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-63.1	-26.2	174.2	-70.8	-42.5	0	0	0	112.8	I239 A240 T246 M247	I239-N243 PolarHBondContact O-N 2.78Å; I239-N243 VanDerWaalsContact O-N 3.16Å; I239-N243 PolarHBondContact O-ND2 3.09Å; A240-N243 PolarHBondContact O-N 2.85Å; N243-T246 PolarHBondContact O-OG1 2.8Å; N243-M247 WeakPolarHBondContact O-CG 3.34Å; N243-M247 PolarHBondContact O-N 2.87Å
244	F	40.7	Very low	51.1	Low	93 Å²	93	84.4 Å²	84.4	41%	0.408	44%	0.444	S	S	.	.	H	α-helix	trans	-72.4	-42.4	173.8	-170.3	-89.7	0	0	0	111.6	A240 N241 Q242 T246 M247 D248	A240-F244 PolarHBondContact O-N 3.34Å; N241-F244 WeakPolarHBondContact O-CB 3.23Å; N241-F244 PolarHBondContact O-N 3.11Å; Q242-F244 PolarHBondContact O-N 3.48Å; F244-T246 PolarHBondContact O-N 2.89Å; F244-M247 HydrophobicContact CD2-CE 4.26Å; F244-M247 WeakPolarHBondContact O-CB 2.99Å; F244-M247 PolarHBondContact O-N 2.88Å; F244-M247 VanDerWaalsContact O-N 3.16Å; F244-D248 WeakPolarHBondContact CE1-OD2 3.11Å; F244-D248 PolarHBondContact O-N 2.78Å; F244-D248 VanDerWaalsContact O-N 3.16Å
245	Q	39.8	Very low	51.1	Low	127 Å²	127	84 Å²	84	59%	0.593	44%	0.44	S	S	*	.	H	α-helix	trans	-62.6	-39.8	176.2	-76.7	177.9	-6.3	0	0	112.8	N241 Q242 M247 D248 E249	N241-Q245 PolarHBondContact O-N 3.38Å; Q242-Q245 PolarHBondContact O-N 2.87Å; Q245-M247 VanDerWaalsContact C-N 3.25Å; Q245-M247 PolarHBondContact O-N 2.86Å; Q245-D248 PolarHBondContact O-N 3.34Å; Q245-D248 VanDerWaalsContact O-N 3.15Å; Q245-E249 WeakPolarHBondContact O-CG 3.2Å; Q245-E249 PolarHBondContact O-N 3.15Å
246	T	43.8	Very low	51.3	Low	35 Å²	35	88.4 Å²	88.4	22%	0.215	45%	0.453	C	S	.	.	H	α-helix	trans	-65.3	-29.8	176.1	57.1	0	0	0	0	112.2	Q242 N243 F244 N250	Q242-T246 PolarHBondContact O-N 2.86Å; Q242-T246 VanDerWaalsContact O-N 3.12Å; N243-T246 PolarHBondContact O-OG1 2.8Å; F244-T246 PolarHBondContact O-N 2.89Å; T246-N250 WeakPolarHBondContact O-CB 3.29Å; T246-N250 PolarHBondContact O-N 3.11Å; T246-N250 PolarHBondContact O-ND2 3.37Å; T246-N250 VanDerWaalsContact O-ND2 3.08Å
247	M	43.2	Very low	51.4	Low	95 Å²	95	92.8 Å²	92.8	47%	0.468	47%	0.467	S	S	.	.	H	α-helix	trans	-67.7	-43.1	170.6	-69.6	-155.1	-56	0	0	112.3	N243 F244 Q245 E249 N250 F251	N243-M247 WeakPolarHBondContact O-CG 3.34Å; N243-M247 PolarHBondContact O-N 2.87Å; F244-M247 HydrophobicContact CD2-CE 4.26Å; F244-M247 WeakPolarHBondContact O-CB 2.99Å; F244-M247 PolarHBondContact O-N 2.88Å; F244-M247 VanDerWaalsContact O-N 3.16Å; Q245-M247 VanDerWaalsContact C-N 3.25Å; Q245-M247 PolarHBondContact O-N 2.86Å; M247-E249 VanDerWaalsContact C-N 3.31Å; M247-E249 PolarHBondContact O-N 2.64Å; M247-N250 WeakPolarHBondContact O-CB 3.36Å; M247-N250 PolarHBondContact O-N 2.81Å; M247-F251 WeakPolarHBondContact O-CD2 3.42Å; M247-F251 PolarHBondContact O-N 3.33Å
248	D	50.1	Low	51.8	Low	63 Å²	63	88.2 Å²	88.2	34%	0.337	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-40	176.3	-75.3	-21.6	0	0	0	111.7	F244 Q245 F251 A252	F244-D248 WeakPolarHBondContact CE1-OD2 3.11Å; F244-D248 PolarHBondContact O-N 2.78Å; F244-D248 VanDerWaalsContact O-N 3.16Å; Q245-D248 PolarHBondContact O-N 3.34Å; Q245-D248 VanDerWaalsContact O-N 3.15Å; D248-F251 PolarHBondContact O-N 3.08Å; D248-A252 WeakPolarHBondContact O-CB 3.43Å; D248-A252 PolarHBondContact O-N 2.98Å
249	E	53.1	Low	52.4	Low	133 Å²	133	86.5 Å²	86.5	62%	0.621	45%	0.446	S	S	*	.	H	α-helix	trans	-64.5	-39.8	173.8	-71.2	-179.2	171.9	0	0	112.3	Q245 M247 A252 S253	Q245-E249 WeakPolarHBondContact O-CG 3.2Å; Q245-E249 PolarHBondContact O-N 3.15Å; M247-E249 VanDerWaalsContact C-N 3.31Å; M247-E249 PolarHBondContact O-N 2.64Å; E249-A252 PolarHBondContact O-N 3.28Å; E249-S253 WeakPolarHBondContact O-CB 2.88Å; E249-S253 PolarHBondContact O-N 3.18Å
250	N	47.9	Very low	53	Low	85 Å²	85	92.3 Å²	92.3	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-63.2	-43.2	174	-74.7	-32.3	0	0	0	111.5	T246 M247 S253 V254	T246-N250 WeakPolarHBondContact O-CB 3.29Å; T246-N250 PolarHBondContact O-N 3.11Å; T246-N250 PolarHBondContact O-ND2 3.37Å; T246-N250 VanDerWaalsContact O-ND2 3.08Å; M247-N250 WeakPolarHBondContact O-CB 3.36Å; M247-N250 PolarHBondContact O-N 2.81Å; N250-S253 WeakPolarHBondContact O-CB 3.47Å; N250-S253 PolarHBondContact O-N 2.91Å; N250-V254 WeakPolarHBondContact O-CG2 3.46Å; N250-V254 PolarHBondContact O-N 3.32Å
251	F	60.6	Low	53.4	Low	112 Å²	112	95.3 Å²	95.3	49%	0.491	48%	0.48	S	S	.	.	H	α-helix	trans	-62.5	-41.6	173.9	-78.8	-67.1	0	0	0	112	M247 D248 S253 V254 A255	M247-F251 WeakPolarHBondContact O-CD2 3.42Å; M247-F251 PolarHBondContact O-N 3.33Å; D248-F251 PolarHBondContact O-N 3.08Å; F251-S253 VanDerWaalsContact C-N 3.31Å; F251-S253 PolarHBondContact O-N 3.18Å; F251-V254 PolarHBondContact O-N 2.76Å; F251-A255 WeakPolarHBondContact O-CB 3.22Å; F251-A255 PolarHBondContact O-N 3.41Å
252	A	64.3	Low	54.2	Low	50 Å²	50	92.2 Å²	92.2	41%	0.413	47%	0.466	S	S	.	.	H	α-helix	trans	-65.1	-34.3	175.8	0	0	0	0	0	112.5	D248 E249 R256	D248-A252 WeakPolarHBondContact O-CB 3.43Å; D248-A252 PolarHBondContact O-N 2.98Å; E249-A252 PolarHBondContact O-N 3.28Å; A252-R256 WeakPolarHBondContact O-CB 3.41Å; A252-R256 PolarHBondContact O-N 3.02Å
253	S	56.3	Low	54.2	Low	62 Å²	62	90.1 Å²	90.1	43%	0.434	47%	0.474	S	S	.	.	H	α-helix	trans	-68	-46.3	174.3	-168.9	0	0	0	0	111.6	E249 N250 F251 A255 R256 Y257	E249-S253 WeakPolarHBondContact O-CB 2.88Å; E249-S253 PolarHBondContact O-N 3.18Å; N250-S253 WeakPolarHBondContact O-CB 3.47Å; N250-S253 PolarHBondContact O-N 2.91Å; F251-S253 VanDerWaalsContact C-N 3.31Å; F251-S253 PolarHBondContact O-N 3.18Å; S253-A255 VanDerWaalsContact C-N 3.33Å; S253-A255 PolarHBondContact O-N 3.29Å; S253-R256 PolarHBondContact O-N 3.41Å; S253-Y257 WeakPolarHBondContact O-CB 3.5Å; S253-Y257 PolarHBondContact O-N 2.84Å
254	V	57.6	Low	54.4	Low	87 Å²	87	89 Å²	89	53%	0.527	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-42.7	174.1	174.1	0	0	0	0	110.8	N250 F251 R256 Y257 V258	N250-V254 WeakPolarHBondContact O-CG2 3.46Å; N250-V254 PolarHBondContact O-N 3.32Å; F251-V254 PolarHBondContact O-N 2.76Å; V254-R256 PolarHBondContact O-N 2.81Å; V254-Y257 PolarHBondContact O-N 3.4Å; V254-V258 HydrophobicContact CG1-CG2 4.35Å; V254-V258 WeakPolarHBondContact O-CB 3.47Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.4Å; V254-V258 PolarHBondContact O-N 2.81Å
255	A	63.6	Low	54.6	Low	41 Å²	41	95.3 Å²	95.3	34%	0.339	49%	0.493	S	S	.	.	H	α-helix	trans	-60.7	-45.2	175.6	0	0	0	0	0	111.7	F251 S253 Y257 V258 E259	F251-A255 WeakPolarHBondContact O-CB 3.22Å; F251-A255 PolarHBondContact O-N 3.41Å; S253-A255 VanDerWaalsContact C-N 3.33Å; S253-A255 PolarHBondContact O-N 3.29Å; A255-Y257 PolarHBondContact O-N 2.9Å; A255-V258 PolarHBondContact O-N 3.46Å; A255-E259 WeakPolarHBondContact O-CG 3.44Å; A255-E259 PolarHBondContact O-N 3.15Å
256	R	65.3	Low	54.6	Low	169 Å²	169	95.5 Å²	95.5	64%	0.638	49%	0.494	S	S	*	.	H	α-helix	trans	-61.8	-41.1	173.9	-86.2	-166.2	-77	142	-8	112.5	A252 S253 V254 E259 E260	A252-R256 WeakPolarHBondContact O-CB 3.41Å; A252-R256 PolarHBondContact O-N 3.02Å; S253-R256 PolarHBondContact O-N 3.41Å; V254-R256 PolarHBondContact O-N 2.81Å; R256-E259 WeakPolarHBondContact O-CB 3.19Å; R256-E259 PolarHBondContact O-N 2.87Å; R256-E260 WeakPolarHBondContact O-CB 3.45Å; R256-E260 PolarHBondContact O-N 2.86Å
257	Y	55.5	Low	54.2	Low	125 Å²	125	101.7 Å²	101.7	49%	0.49	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-41.7	177.3	-176.2	-108.6	0	0	0	111.6	S253 V254 A255 E260 L261	S253-Y257 WeakPolarHBondContact O-CB 3.5Å; S253-Y257 PolarHBondContact O-N 2.84Å; V254-Y257 PolarHBondContact O-N 3.4Å; A255-Y257 PolarHBondContact O-N 2.9Å; Y257-E260 PolarHBondContact O-N 3.46Å; Y257-L261 HydrophobicContact CD1-CD1 3.76Å; Y257-L261 HydrophobicContact CD1-CG 4.41Å; Y257-L261 HydrophobicContact CE1-CD1 3.25Å; Y257-L261 HydrophobicContact CE1-CG 4.08Å; Y257-L261 HydrophobicContact CE2-CD1 4.37Å; Y257-L261 HydrophobicContact CE2-CG 4.38Å; Y257-L261 WeakPolarHBondContact O-CB 3.41Å; Y257-L261 WeakPolarHBondContact O-CG 3.39Å; Y257-L261 PolarHBondContact O-N 2.86Å
258	V	65.6	Low	53.9	Low	53 Å²	53	106.2 Å²	106.2	32%	0.321	54%	0.542	S	S	.	.	H	α-helix	trans	-64.1	-41.5	172.6	173.3	0	0	0	0	110.6	V254 A255 E260 L261 T262	V254-V258 HydrophobicContact CG1-CG2 4.35Å; V254-V258 WeakPolarHBondContact O-CB 3.47Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.4Å; V254-V258 PolarHBondContact O-N 2.81Å; A255-V258 PolarHBondContact O-N 3.46Å; V258-E260 VanDerWaalsContact C-N 3.32Å; V258-E260 PolarHBondContact O-N 3.12Å; V258-L261 PolarHBondContact O-N 3.46Å; V258-T262 HydrophobicContact CG1-CG2 4.09Å; V258-T262 VanDerWaalsContact O-CB 3.28Å; V258-T262 WeakPolarHBondContact O-CB 3.04Å; V258-T262 WeakPolarHBondContact O-CG2 3.46Å; V258-T262 PolarHBondContact O-N 3.22Å; V258-T262 PolarHBondContact O-OG1 2.87Å
259	E	68.1	Low	53	Low	82 Å²	82	112.6 Å²	112.6	38%	0.383	57%	0.567	S	S	.	*	H	α-helix	trans	-62.6	-37.9	174.7	-74.5	178.7	169.1	0	0	112.7	A255 R256 G263 K342	A255-E259 WeakPolarHBondContact O-CG 3.44Å; A255-E259 PolarHBondContact O-N 3.15Å; R256-E259 WeakPolarHBondContact O-CB 3.19Å; R256-E259 PolarHBondContact O-N 2.87Å; E259-G263 PolarHBondContact O-N 2.7Å; E259-G263 VanDerWaalsContact O-N 3.07Å; E259-K342 IonicContact OE1-NZ 3.92Å
260	E	66.9	Low	52.1	Low	164 Å²	164	112.2 Å²	112.2	77%	0.766	57%	0.574	S	S	*	*	H	α-helix	trans	-70.3	-41	177.8	-166.5	165.1	-160.6	0	0	111.9	R256 Y257 V258	R256-E260 WeakPolarHBondContact O-CB 3.45Å; R256-E260 PolarHBondContact O-N 2.86Å; Y257-E260 PolarHBondContact O-N 3.46Å; V258-E260 VanDerWaalsContact C-N 3.32Å; V258-E260 PolarHBondContact O-N 3.12Å
261	L	51.5	Low	51.3	Low	118 Å²	118	114.6 Å²	114.6	62%	0.618	59%	0.591	S	S	*	*	H	α-helix	trans	-71	-33.3	175.3	-74.3	179	0	0	0	113.5	Y257 V258	Y257-L261 HydrophobicContact CD1-CD1 3.76Å; Y257-L261 HydrophobicContact CD1-CG 4.41Å; Y257-L261 HydrophobicContact CE1-CD1 3.25Å; Y257-L261 HydrophobicContact CE1-CG 4.08Å; Y257-L261 HydrophobicContact CE2-CD1 4.37Å; Y257-L261 HydrophobicContact CE2-CG 4.38Å; Y257-L261 WeakPolarHBondContact O-CB 3.41Å; Y257-L261 WeakPolarHBondContact O-CG 3.39Å; Y257-L261 PolarHBondContact O-N 2.86Å; V258-L261 PolarHBondContact O-N 3.46Å
262	T	61.4	Low	50	Low	45 Å²	45	116.5 Å²	116.5	28%	0.276	61%	0.607	S	S	.	*	H	α-helix	trans	-92.5	-8.4	-175.6	59.9	0	0	0	0	113.7	V258 C264 L346	V258-T262 HydrophobicContact CG1-CG2 4.09Å; V258-T262 VanDerWaalsContact O-CB 3.28Å; V258-T262 WeakPolarHBondContact O-CB 3.04Å; V258-T262 WeakPolarHBondContact O-CG2 3.46Å; V258-T262 PolarHBondContact O-N 3.22Å; V258-T262 PolarHBondContact O-OG1 2.87Å; T262-C264 PolarHBondContact O-N 3.04Å; T262-C264 PolarHBondContact O-SG 2.89Å; T262-C264 VanDerWaalsContact O-SG 3.4Å; T262-L346 HydrophobicContact CG2-CD2 3.7Å
263	G	44.1	Very low	48.6	Very low	68 Å²	68	120 Å²	120	70%	0.701	62%	0.623	S	S	*	*			trans	62.3	7.6	-177.4	0	0	0	0	0	114.3	E259 R265	E259-G263 PolarHBondContact O-N 2.7Å; E259-G263 VanDerWaalsContact O-N 3.07Å; G263-R265 PolarHBondContact O-N 2.77Å; G263-R265 VanDerWaalsContact O-N 3.09Å
264	C	43.8	Very low	47.4	Very low	62 Å²	62	125.9 Å²	125.9	42%	0.419	64%	0.641	S	S	.	*			trans	-88.2	70.8	-174.1	-73	0	0	0	0	111	T262 E266	T262-C264 PolarHBondContact O-N 3.04Å; T262-C264 PolarHBondContact O-SG 2.89Å; T262-C264 VanDerWaalsContact O-SG 3.4Å; C264-E266 PolarHBondContact O-N 3.04Å
265	R	44.1	Very low	46.3	Very low	226 Å²	226	128.2 Å²	128.2	85%	0.853	65%	0.65	S	S	*	*			trans	-70.3	115.4	160.4	-94.4	-171.9	-177.2	-151.6	1	108.7	G263 L267	G263-R265 PolarHBondContact O-N 2.77Å; G263-R265 VanDerWaalsContact O-N 3.09Å; R265-L267 PolarHBondContact O-N 2.84Å
266	E	39.4	Very low	44.9	Very low	131 Å²	131	130.9 Å²	130.9	61%	0.612	67%	0.666	S	S	*	*			trans	-62.1	103.3	162.6	-80.9	-172.2	174.6	0	0	108.9	C264 K268	C264-E266 PolarHBondContact O-N 3.04Å; E266-K268 VanDerWaalsContact C-N 3.3Å; E266-K268 PolarHBondContact O-N 2.95Å
267	L	36.2	Very low	43.5	Very low	165 Å²	165	130.4 Å²	130.4	86%	0.864	67%	0.671	S	S	*	*			trans	-63.4	95.9	161.2	-86.4	146.5	0	0	0	107.3	R265 K269	R265-L267 PolarHBondContact O-N 2.84Å; L267-K269 PolarHBondContact O-N 3.31Å
268	K	37.2	Very low	42.4	Very low	189 Å²	189	131 Å²	131	82%	0.822	68%	0.681	S	S	*	*			trans	-57.9	92.8	159.1	-88.4	-177.2	177	175.5	0	107.5	E266 T270	E266-K268 VanDerWaalsContact C-N 3.3Å; E266-K268 PolarHBondContact O-N 2.95Å; K268-T270 PolarHBondContact O-N 2.9Å
269	K	31	Very low	40.9	Very low	198 Å²	198	134.7 Å²	134.7	86%	0.861	70%	0.704	S	S	*	*			trans	-72.2	85.7	172	-150.1	175.7	-171	178.9	0	106.6	L267 T271	L267-K269 PolarHBondContact O-N 3.31Å; K269-T271 PolarHBondContact O-N 2.88Å
270	T	34.5	Very low	39.1	Very low	125 Å²	125	139.9 Å²	139.9	77%	0.767	73%	0.725	S	S	*	*			trans	-63.2	111.2	161.8	29.6	0	0	0	0	107.3	K268 N272	K268-T270 PolarHBondContact O-N 2.9Å; T270-N272 PolarHBondContact O-N 3.36Å
271	T	30.4	Very low	37.5	Very low	134 Å²	134	139.6 Å²	139.6	82%	0.822	73%	0.728	S	S	*	*			trans	-60.4	99.6	165	44.5	0	0	0	0	108.2	K269	K269-T271 PolarHBondContact O-N 2.88Å
272	N	33.5	Very low	36.6	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	73%	0.731	S	S	*	*			trans	-123.1	114.4	157.1	-102.5	-15.7	0	0	0	107.9	T270	T270-N272 PolarHBondContact O-N 3.36Å
273	T	34.1	Very low	35.2	Very low	123 Å²	123	140.7 Å²	140.7	76%	0.755	75%	0.747	S	S	*	*			trans	-62.2	130.8	170.9	33.4	0	0	0	0	111.6
274	K	32.6	Very low	34.7	Very low	186 Å²	186	144.9 Å²	144.9	81%	0.809	75%	0.753	S	S	*	*			trans	66.5	132.8	149.7	-63.8	-178.5	-179.5	-177.3	0	116
275	D	33.7	Very low	34.2	Very low	135 Å²	135	146 Å²	146	72%	0.722	76%	0.762	S	S	*	*			cis	-161.1	127.6	11.6	-86.1	-35.7	0	0	0	105.5
276	S	34.9	Very low	33.6	Very low	97 Å²	97	145.2 Å²	145.2	68%	0.678	76%	0.759	S	S	*	*				85.3	136.9	99.5	85.1	0	0	0	0	117.5
277	H	35.5	Very low	33.3	Very low	159 Å²	159	145 Å²	145	74%	0.736	76%	0.758	S	S	*	*			trans	83	100.3	168.9	-67.9	-79	0	0	0	118.6
278	I	32.3	Very low	33.2	Very low	138 Å²	138	141.8 Å²	141.8	71%	0.708	75%	0.745	S	S	*	*				63.2	111.8	68	-54	164.6	0	0	0	109.7
279	T	33.9	Very low	33	Very low	130 Å²	130	138.4 Å²	138.4	80%	0.798	74%	0.741	S	S	*	*				-172.8	149.7	65.6	-40	0	0	0	0	111.9
280	K	29.3	Very low	33.2	Very low	191 Å²	191	134.8 Å²	134.8	83%	0.83	74%	0.737	S	S	*	*			trans	-62.8	162.7	171.6	-67.2	169.7	173.3	175.3	0	114.2
281	I	34.1	Very low	33.3	Very low	159 Å²	159	132.6 Å²	132.6	82%	0.815	74%	0.739	S	S	*	*				165.4	102.7	129	-79.6	152.4	0	0	0	106.6
282	S	32.3	Very low	33.5	Very low	98 Å²	98	136.2 Å²	136.2	69%	0.685	74%	0.744	S	S	*	*				85.5	106.7	87.8	-147.1	0	0	0	0	115.7
283	S	32.8	Very low	33.4	Very low	87 Å²	87	134.3 Å²	134.3	61%	0.608	74%	0.74	S	S	*	*				63.7	134.9	128.5	60.8	0	0	0	0	123.5
284	N	34	Very low	33.4	Very low	157 Å²	157	138 Å²	138	84%	0.84	75%	0.748	S	S	*	*			trans	85.6	139.7	150.3	-62.3	-11.8	0	0	0	116.3
285	S	31.9	Very low	33.3	Very low	86 Å²	86	137.4 Å²	137.4	60%	0.601	75%	0.748	S	S	*	*			cis	178.2	145.9	3.6	149.4	0	0	0	0	108
286	R	31.9	Very low	33.3	Very low	209 Å²	209	139.8 Å²	139.8	79%	0.789	76%	0.755	S	S	*	*			trans	66.8	149.1	153.5	-74.4	174.4	-176.4	-144.2	0.2	117.2
287	Q	32.8	Very low	33.2	Very low	127 Å²	127	142 Å²	142	59%	0.593	75%	0.754	S	S	*	*			cis	-171.3	150.5	12	-124.3	165.7	-4.5	0	0	108.3
288	T	33.6	Very low	32.9	Very low	96 Å²	96	142.9 Å²	142.9	59%	0.589	75%	0.752	S	S	*	*			trans	60.8	139.6	140.9	58	0	0	0	0	119.5
289	T	35.1	Very low	32.9	Very low	119 Å²	119	145.1 Å²	145.1	73%	0.73	76%	0.759	S	S	*	*			cis	-175.3	170.8	11.5	16.9	0	0	0	0	107.8
290	P	34.7	Very low	32.9	Very low	121 Å²	121	146.2 Å²	146.2	79%	0.786	76%	0.755	S	S	*	*			trans	-104.4	163.7	-148.2	39.5	-35.4	0	0	0	116.7
291	G	35.5	Very low	33.2	Very low	79 Å²	79	146.5 Å²	146.5	81%	0.814	76%	0.759	S	S	*	*			trans	-151.7	134.5	172	0	0	0	0	0	112.4
292	K	34.9	Very low	33.3	Very low	211 Å²	211	144.8 Å²	144.8	92%	0.917	75%	0.748	S	S	*	*			trans	-70.6	170.5	-169.4	-103.1	-178.6	176.8	175	0	115.6
293	P	31.8	Very low	33.3	Very low	113 Å²	113	147.6 Å²	147.6	73%	0.734	76%	0.755	S	S	*	*			trans	-98.4	157.8	-149.8	38.9	-36.7	0	0	0	115
294	Q	34	Very low	33.2	Very low	199 Å²	199	150.1 Å²	150.1	93%	0.93	76%	0.757	S	S	*	*			trans	-144.1	140.4	161.3	-78.9	-168.7	-28	0	0	112.7
295	H	30.2	Very low	33.2	Very low	175 Å²	175	151.3 Å²	151.3	81%	0.81	76%	0.758	S	S	*	*			trans	-61.2	147.9	174.3	-81.4	-104.3	0	0	0	113.8
296	H	35	Very low	33.3	Very low	184 Å²	184	155.5 Å²	155.5	85%	0.852	77%	0.768	S	S	*	*			trans	168	117.7	130.1	-83.1	-19.6	0	0	0	108.7
297	H	32.4	Very low	33.1	Very low	144 Å²	144	154.6 Å²	154.6	67%	0.667	77%	0.772	S	S	*	*				92.2	111.5	71.9	-155.6	86	0	0	0	113.1
298	Y	27.9	Very low	33.1	Very low	178 Å²	178	158 Å²	158	70%	0.698	79%	0.788	S	S	*	*			trans	72	144.3	151.7	-77.3	-130.4	0	0	0	117.3
299	Q	32.5	Very low	32.6	Very low	184 Å²	184	159.6 Å²	159.6	86%	0.86	80%	0.802	S	S	*	*			cis	-167.6	159.6	47.4	-146.5	165.7	0.2	0	0	112.8
300	H	34	Very low	32.4	Very low	154 Å²	154	160.1 Å²	160.1	71%	0.713	80%	0.804	S	S	*	*			trans	-53.1	160.1	-179.4	-86.1	-100.2	0	0	0	119
301	H	36.2	Very low	32.1	Very low	196 Å²	196	160.9 Å²	160.9	91%	0.907	81%	0.807	S	S	*	*				-156.4	160.2	125.1	-110	-77.3	0	0	0	113.2
302	H	35.5	Very low	31.9	Very low	124 Å²	124	165.9 Å²	165.9	57%	0.574	81%	0.81	S	S	*	*			trans	-135	150.9	-142.9	-167.1	14.8	0	0	0	110.8	Q304	H302-Q304 PolarHBondContact NE2-NE2 2.79Å
303	N	32.7	Very low	31.5	Very low	156 Å²	156	161.4 Å²	161.4	83%	0.834	80%	0.802	S	S	*	*			trans	172.5	116.8	145.5	-93.5	-22.5	0	0	0	108.6
304	Q	30.6	Very low	31.2	Very low	140 Å²	140	164.5 Å²	164.5	65%	0.654	81%	0.809	S	S	*	*				70.4	110.5	51.2	-82.2	-163.2	41.5	0	0	117.3	H302	H302-Q304 PolarHBondContact NE2-NE2 2.79Å
305	Q	34.6	Very low	31	Very low	183 Å²	183	160.5 Å²	160.5	86%	0.855	80%	0.803	S	S	*	*			trans	-174.5	102.4	135.7	-99.3	169	32.5	0	0	109.3
306	Q	33.6	Very low	31.3	Very low	174 Å²	174	157.7 Å²	157.7	81%	0.813	80%	0.8	S	S	*	*				68.2	99.8	104	-74.1	-179.7	18.8	0	0	115.2
307	Q	28.7	Very low	31.4	Very low	190 Å²	190	154.7 Å²	154.7	89%	0.888	80%	0.797	S	S	*	*				61.4	113.5	82.8	-95.4	179.4	15.9	0	0	117.1
308	Q	31.1	Very low	31.5	Very low	197 Å²	197	153.8 Å²	153.8	92%	0.921	80%	0.804	S	S	*	*			trans	-158.7	125.3	132.1	-108.2	173.3	20.8	0	0	111.1
309	C	24.4	Very low	31.6	Very low	130 Å²	130	152.6 Å²	152.6	88%	0.878	82%	0.815	S	S	*	*			trans	-88.6	136.5	176.8	-114.6	0	0	0	0	110.1
310	V	30.8	Very low	31.5	Very low	130 Å²	130	146 Å²	146	79%	0.788	80%	0.797	S	S	*	*			trans	-134.9	121.3	158	-179.4	0	0	0	0	108.4
311	T	28	Very low	31.7	Very low	138 Å²	138	143.4 Å²	143.4	85%	0.847	80%	0.796	S	S	*	*			trans	-73.1	127.8	175.4	22.3	0	0	0	0	111.4
312	Q	30.1	Very low	31.7	Very low	184 Å²	184	139.4 Å²	139.4	86%	0.86	79%	0.785	S	S	*	*			trans	-140.9	145.5	160.3	-77.4	-167.5	-2	0	0	110.7
313	P	27.9	Very low	31.7	Very low	116 Å²	116	143 Å²	143	75%	0.753	79%	0.793	S	S	*	*			trans	-91.7	153.6	-168.6	36.3	-32.9	0	0	0	113.7
314	M	25.4	Very low	32.1	Very low	178 Å²	178	142.6 Å²	142.6	88%	0.877	79%	0.787	S	S	*	*			trans	56.8	111	155.2	-61.8	-74.1	95.2	0	0	119.5
315	S	30.1	Very low	32.5	Very low	116 Å²	116	140.9 Å²	140.9	81%	0.811	78%	0.778	S	S	*	*			trans	-159.6	137.2	142.3	33.4	0	0	0	0	111.1
316	P	36.2	Very low	32.8	Very low	116 Å²	116	138.4 Å²	138.4	75%	0.753	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-76.2	152.8	178.5	31.4	-32.4	0	0	0	111.3
317	P	37.4	Very low	33.4	Very low	121 Å²	121	135 Å²	135	79%	0.786	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-71	151.2	178.7	30.2	-32	0	0	0	111.3
318	P	33.8	Very low	34.4	Very low	125 Å²	125	130.8 Å²	130.8	81%	0.812	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-77.4	140.7	-163.3	30.8	-34	0	0	0	113.2	G320	P318-G320 PolarHBondContact O-N 2.9Å
319	T	29.1	Very low	35.3	Very low	152 Å²	152	127.4 Å²	127.4	93%	0.933	72%	0.715	S	S	*	*			trans	-60	106.7	164.9	39.9	0	0	0	0	110.5
320	G	31	Very low	37	Very low	47 Å²	47	127 Å²	127	49%	0.485	70%	0.703	S	S	.	*			trans	-147	27.6	-174.3	0	0	0	0	0	115.3	P318	P318-G320 PolarHBondContact O-N 2.9Å
321	S	38.5	Very low	38.7	Very low	99 Å²	99	125 Å²	125	69%	0.692	69%	0.688	S	S	*	*	H	α-helix	trans	-76.9	-26.1	-176.1	-158.1	0	0	0	0	114
322	V	37.1	Very low	40.3	Very low	111 Å²	111	122 Å²	122	67%	0.673	66%	0.663	S	S	*	*	H	α-helix	trans	-80.6	-27.8	-172	-175	0	0	0	0	113.7
323	R	33.9	Very low	41.6	Very low	199 Å²	199	115.6 Å²	115.6	75%	0.751	64%	0.635	S	S	*	*	H	α-helix	trans	-75.5	-38.1	178.3	-91.3	-172.7	-179.1	178.2	-0.1	113	Q325 Q326 D327	R323-Q325 VanDerWaalsContact C-N 3.29Å; R323-Q325 PolarHBondContact O-N 3Å; R323-Q326 PolarHBondContact O-N 3.34Å; R323-D327 PolarHBondContact O-N 3.5Å; R323-D327 VanDerWaalsContact O-N 3.08Å
324	H	41	Very low	43.4	Very low	149 Å²	149	114.9 Å²	114.9	69%	0.69	62%	0.621	S	S	*	*	H	α-helix	trans	-65.9	-30.6	178.8	-85.8	-69.7	0	0	0	112.9	Y328	H324-Y328 VanDerWaalsContact O-CB 3.31Å; H324-Y328 WeakPolarHBondContact O-CB 3.27Å; H324-Y328 PolarHBondContact O-N 2.61Å
325	Q	39.7	Very low	45.3	Very low	103 Å²	103	111.5 Å²	111.5	48%	0.481	60%	0.603	S	S	.	*	H	α-helix	trans	-73.6	-36.3	177.2	-166.2	164.3	-11.9	0	0	112.7	R323 Q329	R323-Q325 VanDerWaalsContact C-N 3.29Å; R323-Q325 PolarHBondContact O-N 3Å; Q325-Q329 PolarHBondContact O-N 2.82Å
326	Q	40.7	Very low	46.7	Very low	131 Å²	131	108.4 Å²	108.4	61%	0.612	58%	0.577	S	S	*	*	H	α-helix	trans	-68.2	-43.9	172.9	-80.3	-177.1	-22.5	0	0	112.3	R323 Y328 Q329 L330	R323-Q326 PolarHBondContact O-N 3.34Å; Q326-Y328 VanDerWaalsContact C-N 3.28Å; Q326-Y328 PolarHBondContact O-N 3.1Å; Q326-Q329 PolarHBondContact O-N 2.84Å; Q326-L330 PolarHBondContact O-N 2.83Å
327	D	46.4	Very low	47.8	Very low	102 Å²	102	108.1 Å²	108.1	55%	0.545	57%	0.566	S	S	.	*	H	α-helix	trans	-63.5	-36.1	177	-71.9	-25.8	0	0	0	111.5	R323 L330 L331	R323-D327 PolarHBondContact O-N 3.5Å; R323-D327 VanDerWaalsContact O-N 3.08Å; D327-L330 PolarHBondContact O-N 3.23Å; D327-L331 WeakPolarHBondContact O-CB 3.32Å; D327-L331 PolarHBondContact O-N 2.79Å
328	Y	49.1	Very low	49.2	Very low	103 Å²	103	106.8 Å²	106.8	40%	0.404	55%	0.549	S	S	.	.	H	α-helix	trans	-67.4	-43.5	175.3	-174.8	-95.2	0	0	0	112.4	H324 Q326 L330 L331 K332	H324-Y328 VanDerWaalsContact O-CB 3.31Å; H324-Y328 WeakPolarHBondContact O-CB 3.27Å; H324-Y328 PolarHBondContact O-N 2.61Å; Q326-Y328 VanDerWaalsContact C-N 3.28Å; Q326-Y328 PolarHBondContact O-N 3.1Å; Y328-L330 VanDerWaalsContact C-N 3.34Å; Y328-L330 PolarHBondContact O-N 3.1Å; Y328-L331 PolarHBondContact O-N 2.89Å; Y328-K332 HydrophobicContact CE1-CD 4.33Å; Y328-K332 WeakPolarHBondContact O-CB 3.42Å; Y328-K332 PolarHBondContact O-N 3.38Å
329	Q	49.7	Very low	50.4	Low	126 Å²	126	104.9 Å²	104.9	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-61.8	-41.3	173.7	-77.8	-168	-11.7	0	0	111.9	Q325 Q326 K332 L333	Q325-Q329 PolarHBondContact O-N 2.82Å; Q326-Q329 PolarHBondContact O-N 2.84Å; Q329-K332 PolarHBondContact O-N 3.47Å; Q329-L333 WeakPolarHBondContact O-CB 3.3Å; Q329-L333 PolarHBondContact O-N 3.37Å
330	L	60.2	Low	51.4	Low	120 Å²	120	100.8 Å²	100.8	63%	0.628	50%	0.5	S	S	*	.	H	α-helix	trans	-63	-42.4	176.6	-163.1	87	0	0	0	111.7	Q326 D327 Y328 L333 Q334	Q326-L330 PolarHBondContact O-N 2.83Å; D327-L330 PolarHBondContact O-N 3.23Å; Y328-L330 VanDerWaalsContact C-N 3.34Å; Y328-L330 PolarHBondContact O-N 3.1Å; L330-L333 PolarHBondContact O-N 3.01Å; L330-Q334 WeakPolarHBondContact O-CB 3.1Å; L330-Q334 PolarHBondContact O-N 3.13Å
331	L	67.5	Low	53	Low	88 Å²	88	104.4 Å²	104.4	46%	0.461	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-41.6	177.4	-172.6	67.3	0	0	0	111.8	D327 Y328 L333 Q334 Q335	D327-L331 WeakPolarHBondContact O-CB 3.32Å; D327-L331 PolarHBondContact O-N 2.79Å; Y328-L331 PolarHBondContact O-N 2.89Å; L331-L333 VanDerWaalsContact C-N 3.31Å; L331-L333 PolarHBondContact O-N 3.41Å; L331-Q334 PolarHBondContact O-N 3.32Å; L331-Q335 WeakPolarHBondContact O-CG 3.33Å; L331-Q335 PolarHBondContact O-N 3.46Å
332	K	60.4	Low	54.1	Low	75 Å²	75	102.9 Å²	102.9	33%	0.326	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-40.1	175.7	-147.8	178.3	-170.7	-170.3	0	111	Y328 Q329 Q335 L336	Y328-K332 HydrophobicContact CE1-CD 4.33Å; Y328-K332 WeakPolarHBondContact O-CB 3.42Å; Y328-K332 PolarHBondContact O-N 3.38Å; Q329-K332 PolarHBondContact O-N 3.47Å; K332-Q335 PolarHBondContact O-N 3.24Å; K332-L336 WeakPolarHBondContact O-CB 3.43Å; K332-L336 PolarHBondContact O-N 2.93Å
333	L	57.9	Low	54.7	Low	51 Å²	51	100.1 Å²	100.1	27%	0.267	47%	0.466	S	S	.	.	H	α-helix	trans	-66.1	-39.2	175.7	-148	117.3	0	0	0	112	Q329 L330 L331 L336 Q337 L381	Q329-L333 WeakPolarHBondContact O-CB 3.3Å; Q329-L333 PolarHBondContact O-N 3.37Å; L330-L333 PolarHBondContact O-N 3.01Å; L331-L333 VanDerWaalsContact C-N 3.31Å; L331-L333 PolarHBondContact O-N 3.41Å; L333-L336 PolarHBondContact O-N 3.46Å; L333-Q337 WeakPolarHBondContact O-CB 3.27Å; L333-Q337 PolarHBondContact O-N 3.03Å; L333-L381 HydrophobicContact CD1-CD1 3.9Å; L333-L381 HydrophobicContact CD1-CD2 4.13Å; L333-L381 HydrophobicContact CD2-CD2 3.98Å
334	Q	66.5	Low	55.7	Low	100 Å²	100	95.3 Å²	95.3	47%	0.467	45%	0.454	S	S	.	.	H	α-helix	trans	-66.8	-40.6	175.6	-168.8	175.9	22.1	0	0	112.2	L330 L331 Q337 Q338	L330-Q334 WeakPolarHBondContact O-CB 3.1Å; L330-Q334 PolarHBondContact O-N 3.13Å; L331-Q334 PolarHBondContact O-N 3.32Å; Q334-Q337 PolarHBondContact O-N 2.78Å; Q334-Q338 WeakPolarHBondContact O-CG 3.5Å; Q334-Q338 PolarHBondContact O-N 3.2Å
335	Q	64.2	Low	56.2	Low	108 Å²	108	91.9 Å²	91.9	51%	0.505	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-42.2	173.9	-73.8	177.9	-1.9	0	0	111.4	L331 K332 Q338 L339	L331-Q335 WeakPolarHBondContact O-CG 3.33Å; L331-Q335 PolarHBondContact O-N 3.46Å; K332-Q335 PolarHBondContact O-N 3.24Å; Q335-Q338 PolarHBondContact O-N 3.24Å; Q335-L339 WeakPolarHBondContact O-CB 3.29Å; Q335-L339 PolarHBondContact O-N 2.79Å
336	L	59.4	Low	56.1	Low	50 Å²	50	90.8 Å²	90.8	26%	0.262	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-41.9	174.6	-106.1	147.9	0	0	0	112.5	K332 L333 L339 Y340 L372 I377	K332-L336 WeakPolarHBondContact O-CB 3.43Å; K332-L336 PolarHBondContact O-N 2.93Å; L333-L336 PolarHBondContact O-N 3.46Å; L336-L339 PolarHBondContact O-N 3.43Å; L336-Y340 WeakPolarHBondContact O-CB 3.42Å; L336-Y340 PolarHBondContact O-N 3.4Å; L336-L372 HydrophobicContact CD2-CD2 3.24Å; L336-I377 HydrophobicContact CD1-CD1 4.08Å
337	Q	60.7	Low	56.2	Low	111 Å²	111	89.8 Å²	89.8	52%	0.519	45%	0.449	S	S	.	.	H	α-helix	trans	-65	-38.5	175.6	-167.5	179.3	13.9	0	0	112.1	L333 Q334 Y340 Q341	L333-Q337 WeakPolarHBondContact O-CB 3.27Å; L333-Q337 PolarHBondContact O-N 3.03Å; Q334-Q337 PolarHBondContact O-N 2.78Å; Q337-Y340 PolarHBondContact O-N 3.45Å; Q337-Q341 WeakPolarHBondContact O-CB 3.35Å; Q337-Q341 PolarHBondContact O-N 2.92Å
338	Q	66	Low	55.7	Low	92 Å²	92	89 Å²	89	43%	0.43	45%	0.451	S	S	.	.	H	α-helix	trans	-65.5	-41.2	173.3	-75.3	178.2	-10.6	0	0	111.9	Q334 Q335 Q341 K342	Q334-Q338 WeakPolarHBondContact O-CG 3.5Å; Q334-Q338 PolarHBondContact O-N 3.2Å; Q335-Q338 PolarHBondContact O-N 3.24Å; Q338-Q341 PolarHBondContact O-N 3.1Å; Q338-K342 WeakPolarHBondContact O-CB 3.33Å; Q338-K342 WeakPolarHBondContact O-CG 3.48Å; Q338-K342 PolarHBondContact O-N 3.05Å
339	L	58.5	Low	55.1	Low	85 Å²	85	92.1 Å²	92.1	45%	0.445	47%	0.472	S	S	.	.	H	α-helix	trans	-62.7	-44.6	175.9	-121.9	152.6	0	0	0	111.1	Q335 L336 Q341 K342 L343	Q335-L339 WeakPolarHBondContact O-CB 3.29Å; Q335-L339 PolarHBondContact O-N 2.79Å; L336-L339 PolarHBondContact O-N 3.43Å; L339-Q341 PolarHBondContact O-N 3.25Å; L339-K342 PolarHBondContact O-N 3.46Å; L339-L343 HydrophobicContact CD2-CD1 3.84Å; L339-L343 HydrophobicContact CD2-CG 4.31Å; L339-L343 WeakPolarHBondContact O-CB 3.03Å; L339-L343 VanDerWaalsContact O-CG 3.3Å; L339-L343 WeakPolarHBondContact O-CG 3.31Å; L339-L343 PolarHBondContact O-N 2.84Å
340	Y	51.2	Low	54.2	Low	66 Å²	66	95.8 Å²	95.8	26%	0.259	49%	0.486	S	S	.	.	H	α-helix	trans	-58.2	-47	173.4	178.1	-110.8	0	0	0	112.1	L336 Q337 K342 L343 I344 L368 L386	L336-Y340 WeakPolarHBondContact O-CB 3.42Å; L336-Y340 PolarHBondContact O-N 3.4Å; Q337-Y340 PolarHBondContact O-N 3.45Å; Y340-K342 VanDerWaalsContact C-N 3.3Å; Y340-K342 PolarHBondContact O-N 3.48Å; Y340-L343 PolarHBondContact O-N 3.23Å; Y340-I344 HydrophobicContact CD1-CD1 3.8Å; Y340-I344 HydrophobicContact CD2-CD1 3.95Å; Y340-I344 HydrophobicContact CE1-CD1 3.31Å; Y340-I344 HydrophobicContact CE2-CD1 3.47Å; Y340-I344 VanDerWaalsContact CE2-CD1 3.47Å; Y340-I344 HydrophobicContact CE2-CG1 4.25Å; Y340-I344 HydrophobicContact CG-CD1 4.11Å; Y340-I344 WeakPolarHBondContact O-CG1 3.32Å; Y340-I344 PolarHBondContact O-N 3.07Å; Y340-I344 WeakPolarHBondContact OH-CD1 3.35Å; Y340-L368 HydrophobicContact CD2-CD2 3.95Å; Y340-L368 HydrophobicContact CE2-CD2 4.33Å; Y340-L386 HydrophobicContact CE2-CD1 3.78Å
341	Q	64.2	Low	52.8	Low	123 Å²	123	97.8 Å²	97.8	58%	0.575	49%	0.492	S	S	*	.	H	α-helix	trans	-65.1	-33.5	179	-168	61.3	70.8	0	0	112.8	Q337 Q338 L339 S345	Q337-Q341 WeakPolarHBondContact O-CB 3.35Å; Q337-Q341 PolarHBondContact O-N 2.92Å; Q338-Q341 PolarHBondContact O-N 3.1Å; L339-Q341 PolarHBondContact O-N 3.25Å; Q341-S345 PolarHBondContact O-N 2.96Å; Q341-S345 PolarHBondContact O-OG 3.14Å
342	K	62.8	Low	51.2	Low	68 Å²	68	98.9 Å²	98.9	30%	0.296	50%	0.504	S	S	.	.	H	α-helix	trans	-73.2	-35	173.6	-76.8	-175.8	-179.9	-175.9	0	112.6	E259 Q338 L339 Y340 S345	E259-K342 IonicContact OE1-NZ 3.92Å; Q338-K342 WeakPolarHBondContact O-CB 3.33Å; Q338-K342 WeakPolarHBondContact O-CG 3.48Å; Q338-K342 PolarHBondContact O-N 3.05Å; L339-K342 PolarHBondContact O-N 3.46Å; Y340-K342 VanDerWaalsContact C-N 3.3Å; Y340-K342 PolarHBondContact O-N 3.48Å; K342-S345 PolarHBondContact O-OG 3.34Å
343	L	47.9	Very low	49.9	Very low	53 Å²	53	105.1 Å²	105.1	28%	0.277	53%	0.531	S	S	.	.	H	α-helix	trans	-72.3	-37	178.4	-74.9	165.7	0	0	0	111.8	L339 Y340 S345 L346 L368	L339-L343 HydrophobicContact CD2-CD1 3.84Å; L339-L343 HydrophobicContact CD2-CG 4.31Å; L339-L343 WeakPolarHBondContact O-CB 3.03Å; L339-L343 VanDerWaalsContact O-CG 3.3Å; L339-L343 WeakPolarHBondContact O-CG 3.31Å; L339-L343 PolarHBondContact O-N 2.84Å; Y340-L343 PolarHBondContact O-N 3.23Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.19Å; L343-L346 HydrophobicContact CD2-CD1 3.87Å; L343-L346 PolarHBondContact O-N 2.98Å; L343-L368 HydrophobicContact CD1-CD1 3.31Å
344	I	55.3	Low	48.9	Very low	97 Å²	97	108.3 Å²	108.3	50%	0.497	55%	0.552	S	S	.	*	H	α-helix	trans	-69.2	-28.2	175.3	-70.7	168.8	0	0	0	112.5	Y340 L346	Y340-I344 HydrophobicContact CD1-CD1 3.8Å; Y340-I344 HydrophobicContact CD2-CD1 3.95Å; Y340-I344 HydrophobicContact CE1-CD1 3.31Å; Y340-I344 HydrophobicContact CE2-CD1 3.47Å; Y340-I344 VanDerWaalsContact CE2-CD1 3.47Å; Y340-I344 HydrophobicContact CE2-CG1 4.25Å; Y340-I344 HydrophobicContact CG-CD1 4.11Å; Y340-I344 WeakPolarHBondContact O-CG1 3.32Å; Y340-I344 PolarHBondContact O-N 3.07Å; Y340-I344 WeakPolarHBondContact OH-CD1 3.35Å; I344-L346 VanDerWaalsContact C-N 3.29Å; I344-L346 PolarHBondContact O-N 3.42Å
345	S	51.6	Low	47.2	Very low	77 Å²	77	111.6 Å²	111.6	54%	0.538	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-1.4	-179.4	63.2	0	0	0	0	114.2	Q341 K342 L343 P347	Q341-S345 PolarHBondContact O-N 2.96Å; Q341-S345 PolarHBondContact O-OG 3.14Å; K342-S345 PolarHBondContact O-OG 3.34Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.19Å; S345-P347 WeakPolarHBondContact O-CD 3.47Å
346	L	38.7	Very low	46	Very low	81 Å²	81	111.1 Å²	111.1	42%	0.424	57%	0.574	S	S	.	*			trans	-66.2	119.5	178.3	-79.8	162.1	0	0	0	111	T262 L343 I344 S348	T262-L346 HydrophobicContact CG2-CD2 3.7Å; L343-L346 HydrophobicContact CD2-CD1 3.87Å; L343-L346 PolarHBondContact O-N 2.98Å; I344-L346 VanDerWaalsContact C-N 3.29Å; I344-L346 PolarHBondContact O-N 3.42Å; L346-S348 PolarHBondContact O-N 2.82Å
347	P	42.4	Very low	45	Very low	109 Å²	109	117.3 Å²	117.3	71%	0.708	60%	0.599	S	S	*	*			trans	-63.9	127.7	172.1	-13.3	27.2	0	0	0	109.1	S345 M349	S345-P347 WeakPolarHBondContact O-CD 3.47Å; P347-M349 PolarHBondContact O-N 3.05Å
348	S	36.6	Very low	43.9	Very low	86 Å²	86	116 Å²	116	60%	0.601	60%	0.602	S	S	*	*			trans	-36	108.3	170.3	-178.9	0	0	0	0	110.9	L346 K350	L346-S348 PolarHBondContact O-N 2.82Å; S348-K350 PolarHBondContact O-N 2.79Å
349	M	35	Very low	42.9	Very low	168 Å²	168	113.7 Å²	113.7	83%	0.828	60%	0.596	S	S	*	*			trans	-63.3	101	174.6	-75.1	-164	77.8	0	0	107.8	P347 H351	P347-M349 PolarHBondContact O-N 3.05Å; M349-H351 VanDerWaalsContact C-N 3.33Å; M349-H351 PolarHBondContact O-N 3.2Å
350	K	30.5	Very low	42.1	Very low	203 Å²	203	113.1 Å²	113.1	88%	0.883	60%	0.596	S	S	*	*			trans	-65.7	92.7	171.6	-73.2	-179.1	178	177.5	0	108.9	S348	S348-K350 PolarHBondContact O-N 2.79Å
351	H	32.4	Very low	41.8	Very low	163 Å²	163	116.7 Å²	116.7	76%	0.755	62%	0.615	S	S	*	*			trans	-93.1	128.8	157.9	-121.9	-80	0	0	0	108.5	M349	M349-H351 VanDerWaalsContact C-N 3.33Å; M349-H351 PolarHBondContact O-N 3.2Å
352	P	32.7	Very low	41	Very low	111 Å²	111	113.5 Å²	113.5	72%	0.721	61%	0.606	S	S	*	*	S	Bend	trans	-76.8	136.3	-179.5	30.4	-30.5	0	0	0	109.5
353	K	34.3	Very low	40.3	Very low	206 Å²	206	115.1 Å²	115.1	90%	0.896	62%	0.617	S	S	*	*	S	Bend	trans	89.6	50.7	176.9	-53.4	180	175.7	-179.5	0	117.6
354	V	36.5	Very low	40.4	Very low	118 Å²	118	116.3 Å²	116.3	72%	0.715	63%	0.626	S	S	*	*			trans	-149.4	108.5	142.1	-175.5	0	0	0	0	106.6	D356	V354-D356 HydrophobicContact CG1-CB 4.36Å; V354-D356 PolarHBondContact O-N 3.1Å
355	D	31.1	Very low	40.2	Very low	169 Å²	169	116.9 Å²	116.9	90%	0.904	63%	0.627	S	S	*	*			trans	-76.4	77.6	171.5	-76.5	-44	0	0	0	108.9
356	D	38.7	Very low	40	Very low	97 Å²	97	117.6 Å²	117.6	52%	0.519	63%	0.625	S	S	.	*			trans	-157.2	80.5	165.2	-101.6	-29.9	0	0	0	110.5	V354 S358 S359	V354-D356 HydrophobicContact CG1-CB 4.36Å; V354-D356 PolarHBondContact O-N 3.1Å; D356-S358 PolarHBondContact O-N 3.31Å; D356-S359 PolarHBondContact O-N 3.2Å; D356-S359 VanDerWaalsContact O-N 3.11Å; D356-S359 PolarHBondContact O-OG 3.49Å
357	K	38.9	Very low	40.6	Very low	181 Å²	181	118.4 Å²	118.4	79%	0.787	63%	0.629	S	S	*	*	H	α-helix	trans	-58.3	-23.4	177	-89.7	180	173.7	176.9	0	113.9	T360	K357-T360 PolarHBondContact O-OG1 3.08Å
358	S	37.9	Very low	40.9	Very low	83 Å²	83	114.9 Å²	114.9	58%	0.58	60%	0.604	S	S	*	*	H	α-helix	trans	-77.5	-20.2	177.7	48.3	0	0	0	0	113.8	D356	D356-S358 PolarHBondContact O-N 3.31Å
359	S	43.5	Very low	41.4	Very low	43 Å²	43	115.5 Å²	115.5	30%	0.301	60%	0.6	S	S	.	*	H	α-helix	trans	-76.9	-39.2	-175.9	67.4	0	0	0	0	112.7	D356 S362 I363	D356-S359 PolarHBondContact O-N 3.2Å; D356-S359 VanDerWaalsContact O-N 3.11Å; D356-S359 PolarHBondContact O-OG 3.49Å; S359-S362 PolarHBondContact O-N 3.05Å; S359-I363 WeakPolarHBondContact O-CD1 3.3Å; S359-I363 VanDerWaalsContact O-CG1 3.24Å; S359-I363 WeakPolarHBondContact O-CG1 3.5Å; S359-I363 PolarHBondContact O-N 2.78Å
360	T	41.6	Very low	42	Very low	74 Å²	74	112.1 Å²	112.1	45%	0.454	58%	0.582	S	S	.	*	H	α-helix	trans	-71	-35.6	-177.8	36.3	0	0	0	0	113.6	K357 T364	K357-T360 PolarHBondContact O-OG1 3.08Å; T360-T364 PolarHBondContact O-N 2.95Å; T360-T364 PolarHBondContact O-OG1 3.17Å
361	E	44.7	Very low	42.6	Very low	141 Å²	141	106.9 Å²	106.9	66%	0.659	56%	0.563	S	S	*	*	H	α-helix	trans	-67.4	-41.6	174.8	-82.2	179.9	161.7	0	0	111.5	T364 Q365	E361-T364 PolarHBondContact O-N 3.05Å; E361-Q365 WeakPolarHBondContact O-CB 3.48Å; E361-Q365 WeakPolarHBondContact O-CG 3.36Å; E361-Q365 PolarHBondContact O-N 3.49Å
362	S	48.1	Very low	43.2	Very low	56 Å²	56	100.4 Å²	100.4	39%	0.392	53%	0.534	S	S	.	.	H	α-helix	trans	-63.4	-44.3	176.5	165.3	0	0	0	0	112.4	S359 T364 Q365 D366	S359-S362 PolarHBondContact O-N 3.05Å; S362-T364 VanDerWaalsContact C-N 3.31Å; S362-T364 PolarHBondContact O-N 3.46Å; S362-Q365 PolarHBondContact O-N 2.91Å; S362-D366 WeakPolarHBondContact O-CB 3.31Å; S362-D366 PolarHBondContact O-N 2.75Å
363	I	48.7	Very low	43.6	Very low	102 Å²	102	98.9 Å²	98.9	52%	0.523	53%	0.531	S	S	.	.	H	α-helix	trans	-63.3	-39.7	178.2	-66.8	162.7	0	0	0	110.9	S359 L367	S359-I363 WeakPolarHBondContact O-CD1 3.3Å; S359-I363 VanDerWaalsContact O-CG1 3.24Å; S359-I363 WeakPolarHBondContact O-CG1 3.5Å; S359-I363 PolarHBondContact O-N 2.78Å; I363-L367 VanDerWaalsContact O-CB 3.3Å; I363-L367 WeakPolarHBondContact O-CB 3.01Å; I363-L367 PolarHBondContact O-N 3.11Å
364	T	50	Low	43.9	Very low	77 Å²	77	95.6 Å²	95.6	47%	0.472	52%	0.523	S	S	.	.	H	α-helix	trans	-69.5	-39.3	179.4	-42.5	0	0	0	0	111.1	T360 E361 S362 L368	T360-T364 PolarHBondContact O-N 2.95Å; T360-T364 PolarHBondContact O-OG1 3.17Å; E361-T364 PolarHBondContact O-N 3.05Å; S362-T364 VanDerWaalsContact C-N 3.31Å; S362-T364 PolarHBondContact O-N 3.46Å; T364-L368 WeakPolarHBondContact O-CB 3.08Å; T364-L368 PolarHBondContact O-N 3.38Å
365	Q	49.5	Very low	44.1	Very low	109 Å²	109	92.8 Å²	92.8	51%	0.509	50%	0.503	S	S	.	.	H	α-helix	trans	-66.4	-41.9	174.3	-78.5	177.1	-19.2	0	0	112.5	E361 S362 L368 L369	E361-Q365 WeakPolarHBondContact O-CB 3.48Å; E361-Q365 WeakPolarHBondContact O-CG 3.36Å; E361-Q365 PolarHBondContact O-N 3.49Å; S362-Q365 PolarHBondContact O-N 2.91Å; Q365-L368 WeakPolarHBondContact O-CB 3.4Å; Q365-L368 PolarHBondContact O-N 3.24Å; Q365-L369 WeakPolarHBondContact O-CB 3.31Å; Q365-L369 PolarHBondContact O-N 3.34Å
366	D	49.1	Very low	44.8	Very low	93 Å²	93	91.1 Å²	91.1	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-66	-39.7	178	-88.3	-12.1	0	0	0	112.5	S362 L368 L369 H370	S362-D366 WeakPolarHBondContact O-CB 3.31Å; S362-D366 PolarHBondContact O-N 2.75Å; D366-L368 VanDerWaalsContact C-N 3.3Å; D366-L369 PolarHBondContact O-N 3.25Å; D366-H370 WeakPolarHBondContact O-CB 3.42Å; D366-H370 PolarHBondContact O-N 2.75Å; D366-H370 PolarHBondContact O-ND1 3.46Å
367	L	50.3	Low	45.1	Very low	97 Å²	97	88.4 Å²	88.4	51%	0.508	48%	0.479	S	S	.	.	H	α-helix	trans	-67.6	-35.8	176.7	-149.1	148.2	0	0	0	110.4	I363 L371	I363-L367 VanDerWaalsContact O-CB 3.3Å; I363-L367 WeakPolarHBondContact O-CB 3.01Å; I363-L367 PolarHBondContact O-N 3.11Å; L367-L371 HydrophobicContact CD2-CD1 3.89Å; L367-L371 HydrophobicContact CD2-CG 4.46Å; L367-L371 VanDerWaalsContact O-CG 3.26Å; L367-L371 WeakPolarHBondContact O-CG 3.32Å; L367-L371 PolarHBondContact O-N 3.36Å
368	L	48.1	Very low	44.9	Very low	35 Å²	35	82.6 Å²	82.6	18%	0.183	46%	0.461	C	S	.	.	H	α-helix	trans	-68.1	-44.7	172.8	-159.1	91	0	0	0	112.2	Y340 L343 T364 Q365 D366 H370 L371 L372	Y340-L368 HydrophobicContact CD2-CD2 3.95Å; Y340-L368 HydrophobicContact CE2-CD2 4.33Å; L343-L368 HydrophobicContact CD1-CD1 3.31Å; T364-L368 WeakPolarHBondContact O-CB 3.08Å; T364-L368 PolarHBondContact O-N 3.38Å; Q365-L368 WeakPolarHBondContact O-CB 3.4Å; Q365-L368 PolarHBondContact O-N 3.24Å; D366-L368 VanDerWaalsContact C-N 3.3Å; L368-H370 VanDerWaalsContact C-N 3.29Å; L368-H370 PolarHBondContact O-N 3.09Å; L368-L371 PolarHBondContact O-N 3.36Å; L368-L371 VanDerWaalsContact O-N 3.13Å; L368-L372 HydrophobicContact CD2-CD1 3.93Å; L368-L372 HydrophobicContact CG-CD1 4.05Å; L368-L372 HydrophobicContact CG-CG 4.5Å; L368-L372 WeakPolarHBondContact O-CB 3.49Å; L368-L372 VanDerWaalsContact O-CG 3.24Å; L368-L372 WeakPolarHBondContact O-CG 3.37Å; L368-L372 PolarHBondContact O-N 3.35Å
369	L	48.8	Very low	44.9	Very low	99 Å²	99	81.9 Å²	81.9	52%	0.518	45%	0.448	S	S	.	.	H	α-helix	trans	-59.5	-40.6	175	-105.5	127.4	0	0	0	111.2	Q365 D366 L372 A373	Q365-L369 WeakPolarHBondContact O-CB 3.31Å; Q365-L369 PolarHBondContact O-N 3.34Å; D366-L369 PolarHBondContact O-N 3.25Å; L369-L372 PolarHBondContact O-N 3.4Å; L369-A373 VanDerWaalsContact O-CB 3.23Å; L369-A373 WeakPolarHBondContact O-CB 3.41Å; L369-A373 PolarHBondContact O-N 3.12Å
370	H	46.1	Very low	44.7	Very low	97 Å²	97	83.6 Å²	83.6	45%	0.449	46%	0.46	S	S	.	.	H	α-helix	trans	-65.2	-38	173.5	-93.3	79.7	0	0	0	113.1	M130 D366 L368 N374	M130-H370 WeakPolarHBondContact CE-NE2 3.47Å; D366-H370 WeakPolarHBondContact O-CB 3.42Å; D366-H370 PolarHBondContact O-N 2.75Å; D366-H370 PolarHBondContact O-ND1 3.46Å; L368-H370 VanDerWaalsContact C-N 3.29Å; L368-H370 PolarHBondContact O-N 3.09Å; H370-N374 PolarHBondContact O-ND2 3.49Å
371	L	43.3	Very low	44.6	Very low	93 Å²	93	83.1 Å²	83.1	49%	0.487	45%	0.454	S	S	.	.	H	α-helix	trans	-68.9	-36.6	175.6	-74.7	167	0	0	0	111.9	L367 L368 Q375	L367-L371 HydrophobicContact CD2-CD1 3.89Å; L367-L371 HydrophobicContact CD2-CG 4.46Å; L367-L371 VanDerWaalsContact O-CG 3.26Å; L367-L371 WeakPolarHBondContact O-CG 3.32Å; L367-L371 PolarHBondContact O-N 3.36Å; L368-L371 PolarHBondContact O-N 3.36Å; L368-L371 VanDerWaalsContact O-N 3.13Å; L371-Q375 VanDerWaalsContact O-CG 3.3Å; L371-Q375 WeakPolarHBondContact O-CG 3.3Å
372	L	44.5	Very low	44.6	Very low	27 Å²	27	79.4 Å²	79.4	14%	0.141	44%	0.439	C	S	.	.	H	α-helix	trans	-77.7	-38.7	-179.8	-69.9	169.7	0	0	0	113.1	L336 L368 L369 N374 Q375 I377	L336-L372 HydrophobicContact CD2-CD2 3.24Å; L368-L372 HydrophobicContact CD2-CD1 3.93Å; L368-L372 HydrophobicContact CG-CD1 4.05Å; L368-L372 HydrophobicContact CG-CG 4.5Å; L368-L372 WeakPolarHBondContact O-CB 3.49Å; L368-L372 VanDerWaalsContact O-CG 3.24Å; L368-L372 WeakPolarHBondContact O-CG 3.37Å; L368-L372 PolarHBondContact O-N 3.35Å; L369-L372 PolarHBondContact O-N 3.4Å; L372-N374 PolarHBondContact O-N 2.72Å; L372-Q375 WeakPolarHBondContact O-CB 3.25Å; L372-Q375 PolarHBondContact O-N 3.48Å; L372-I377 HydrophobicContact CD2-CD1 3.82Å
373	A	42.4	Very low	44.5	Very low	80 Å²	80	82.8 Å²	82.8	66%	0.661	45%	0.453	S	S	*	.	H	α-helix	trans	-61.5	-29.4	177.1	0	0	0	0	0	112.1	L369 Q375	L369-A373 VanDerWaalsContact O-CB 3.23Å; L369-A373 WeakPolarHBondContact O-CB 3.41Å; L369-A373 PolarHBondContact O-N 3.12Å; A373-Q375 PolarHBondContact O-N 3.14Å
374	N	40.5	Very low	44.4	Very low	136 Å²	136	83.9 Å²	83.9	73%	0.727	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.8	175.2	-77.2	-46.7	0	0	0	114.2	H370 L372	H370-N374 PolarHBondContact O-ND2 3.49Å; L372-N374 PolarHBondContact O-N 2.72Å
375	Q	40.7	Very low	43.9	Very low	60 Å²	60	82.2 Å²	82.2	28%	0.28	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	4.7	-172.5	-66.7	-86.2	-18.7	0	0	114.6	L371 L372 A373 I377	L371-Q375 VanDerWaalsContact O-CG 3.3Å; L371-Q375 WeakPolarHBondContact O-CG 3.3Å; L372-Q375 WeakPolarHBondContact O-CB 3.25Å; L372-Q375 PolarHBondContact O-N 3.48Å; A373-Q375 PolarHBondContact O-N 3.14Å; Q375-I377 VanDerWaalsContact C-N 3.27Å; Q375-I377 HydrophobicContact CB-CD1 4.2Å; Q375-I377 HydrophobicContact CB-CG1 4.09Å; Q375-I377 PolarHBondContact O-N 2.93Å
376	N	45	Very low	43.4	Very low	134 Å²	134	79.5 Å²	79.5	72%	0.717	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.4	174.9	-121.3	0.7	0	0	0	114
377	I	45.1	Very low	42.7	Very low	40 Å²	40	80.8 Å²	80.8	21%	0.205	45%	0.449	C	S	.	.			trans	-79.7	130.9	176.5	-57.2	171.3	0	0	0	108.3	L336 L372 Q375 L381	L336-I377 HydrophobicContact CD1-CD1 4.08Å; L372-I377 HydrophobicContact CD2-CD1 3.82Å; Q375-I377 VanDerWaalsContact C-N 3.27Å; Q375-I377 HydrophobicContact CB-CD1 4.2Å; Q375-I377 HydrophobicContact CB-CG1 4.09Å; Q375-I377 PolarHBondContact O-N 2.93Å; I377-L381 HydrophobicContact CG2-CB 3.95Å
378	S	36	Very low	41.9	Very low	58 Å²	58	80.2 Å²	80.2	41%	0.406	45%	0.454	S	S	.	.			trans	-58.1	139	-179	71.6	0	0	0	0	112.1	S380 L381 L382	S378-S380 PolarHBondContact O-N 2.91Å; S378-S380 VanDerWaalsContact O-N 3.12Å; S378-S380 PolarHBondContact OG-OG 3.21Å; S378-S380 VanDerWaalsContact OG-OG 3.11Å; S378-L381 WeakPolarHBondContact O-CA 3.36Å; S378-L381 WeakPolarHBondContact O-CB 3.21Å; S378-L381 PolarHBondContact O-N 3.38Å; S378-L382 PolarHBondContact O-N 3.38Å; S378-L382 VanDerWaalsContact O-N 3.15Å
379	E	36.1	Very low	41.2	Very low	68 Å²	68	83 Å²	83	32%	0.318	47%	0.472	S	S	.	.	H	α-helix	trans	-54.5	-34.1	-179.5	-83.4	-168	156.5	0	0	113.5	L381 L382 N383 S570 N574	E379-L381 PolarHBondContact O-N 3.36Å; E379-L382 PolarHBondContact O-N 3.4Å; E379-N383 PolarHBondContact O-N 2.93Å; E379-N383 VanDerWaalsContact O-N 3.09Å; E379-S570 WeakPolarHBondContact OE1-CB 3.43Å; E379-S570 WeakPolarHBondContact OE2-CB 3.11Å; E379-N574 PolarHBondContact OE1-ND2 3.42Å
380	S	40.5	Very low	40.3	Very low	79 Å²	79	86 Å²	86	55%	0.552	49%	0.488	S	S	*	.	H	α-helix	trans	-62.9	-29.3	175.4	56.4	0	0	0	0	113.3	S378 N384	S378-S380 PolarHBondContact O-N 2.91Å; S378-S380 VanDerWaalsContact O-N 3.12Å; S378-S380 PolarHBondContact OG-OG 3.21Å; S378-S380 VanDerWaalsContact OG-OG 3.11Å; S380-N384 PolarHBondContact O-ND2 3.44Å
381	L	39.4	Very low	39.5	Very low	64 Å²	64	87.3 Å²	87.3	34%	0.335	50%	0.503	S	S	.	.	H	α-helix	trans	-85.1	-33.4	176.3	-92.5	159.7	0	0	0	111.5	L333 I377 S378 E379 N384 L385	L333-L381 HydrophobicContact CD1-CD1 3.9Å; L333-L381 HydrophobicContact CD1-CD2 4.13Å; L333-L381 HydrophobicContact CD2-CD2 3.98Å; I377-L381 HydrophobicContact CG2-CB 3.95Å; S378-L381 WeakPolarHBondContact O-CA 3.36Å; S378-L381 WeakPolarHBondContact O-CB 3.21Å; S378-L381 PolarHBondContact O-N 3.38Å; E379-L381 PolarHBondContact O-N 3.36Å; L381-N384 PolarHBondContact O-N 2.88Å; L381-L385 WeakPolarHBondContact O-CD1 3.39Å; L381-L385 WeakPolarHBondContact O-CG 3.41Å; L381-L385 PolarHBondContact O-N 3.41Å
382	L	44.2	Very low	38.9	Very low	63 Å²	63	87.2 Å²	87.2	33%	0.33	52%	0.516	S	S	.	.	H	α-helix	trans	-63.9	-42	176.2	-151.8	77	0	0	0	111.8	S378 E379 N384 L385 L386	S378-L382 PolarHBondContact O-N 3.38Å; S378-L382 VanDerWaalsContact O-N 3.15Å; E379-L382 PolarHBondContact O-N 3.4Å; L382-N384 PolarHBondContact O-N 2.96Å; L382-L385 PolarHBondContact O-N 3.06Å; L382-L385 VanDerWaalsContact O-N 3.1Å; L382-L386 PolarHBondContact O-N 3.12Å
383	N	46.4	Very low	38.1	Very low	128 Å²	128	95.5 Å²	95.5	68%	0.684	55%	0.552	S	S	*	*	H	α-helix	trans	-67.1	-20.8	176.2	-74.5	-22.4	0	0	0	113.8	E379	E379-N383 PolarHBondContact O-N 2.93Å; E379-N383 VanDerWaalsContact O-N 3.09Å
384	N	45.8	Very low	37.4	Very low	125 Å²	125	98.6 Å²	98.6	67%	0.668	55%	0.552	S	S	*	*	H	α-helix	trans	-85.6	-18.5	173.7	-75.6	-49.3	0	0	0	113	S380 L381 L382	S380-N384 PolarHBondContact O-ND2 3.44Å; L381-N384 PolarHBondContact O-N 2.88Å; L382-N384 PolarHBondContact O-N 2.96Å
385	L	39.9	Very low	36.9	Very low	42 Å²	42	101.8 Å²	101.8	22%	0.22	56%	0.56	C	S	.	*	H	α-helix	trans	-90.7	-24.1	-175.8	-78.1	161.5	0	0	0	113.7	L381 L382	L381-L385 WeakPolarHBondContact O-CD1 3.39Å; L381-L385 WeakPolarHBondContact O-CG 3.41Å; L381-L385 PolarHBondContact O-N 3.41Å; L382-L385 PolarHBondContact O-N 3.06Å; L382-L385 VanDerWaalsContact O-N 3.1Å
386	L	38.6	Very low	36.2	Very low	52 Å²	52	107 Å²	107	27%	0.272	59%	0.589	S	S	.	*			trans	-125.6	83.8	176.6	-104.2	87.9	0	0	0	112.6	Y340 L382 S388 V389	Y340-L386 HydrophobicContact CE2-CD1 3.78Å; L382-L386 PolarHBondContact O-N 3.12Å; L386-S388 PolarHBondContact O-N 3.05Å; L386-V389 HydrophobicContact CB-CG2 3.95Å; L386-V389 HydrophobicContact CD2-CG2 3.26Å; L386-V389 HydrophobicContact CG-CG2 4.16Å
387	P	34.8	Very low	35.4	Very low	119 Å²	119	106.2 Å²	106.2	77%	0.773	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	20.2	176.9	-15.2	30.8	0	0	0	115.7
388	S	33.5	Very low	34.5	Very low	86 Å²	86	114.9 Å²	114.9	60%	0.601	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.2	20.2	-173.4	96	0	0	0	0	117.5	L386 D390	L386-S388 PolarHBondContact O-N 3.05Å; S388-D390 VanDerWaalsContact C-N 3.33Å; S388-D390 PolarHBondContact O-N 2.95Å
389	V	33.1	Very low	34.1	Very low	93 Å²	93	123.4 Å²	123.4	56%	0.564	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-85.5	-2.1	-176.7	-172.5	0	0	0	0	113.8	L386 T391	L386-V389 HydrophobicContact CB-CG2 3.95Å; L386-V389 HydrophobicContact CD2-CG2 3.26Å; L386-V389 HydrophobicContact CG-CG2 4.16Å; V389-T391 VanDerWaalsContact C-N 3.31Å; V389-T391 PolarHBondContact O-N 3.04Å
390	D	29.9	Very low	33.8	Very low	161 Å²	161	125.6 Å²	125.6	86%	0.861	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-81.9	13.7	-176.6	-74.6	-32.3	0	0	0	116.3	S388	S388-D390 VanDerWaalsContact C-N 3.33Å; S388-D390 PolarHBondContact O-N 2.95Å
391	T	29.9	Very low	33.2	Very low	125 Å²	125	127.4 Å²	127.4	77%	0.767	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-122	4.7	-174.7	32	0	0	0	0	117.3	V389	V389-T391 VanDerWaalsContact C-N 3.31Å; V389-T391 PolarHBondContact O-N 3.04Å
392	A	29.8	Very low	32.6	Very low	92 Å²	92	129.1 Å²	129.1	76%	0.76	70%	0.7	S	S	*	*	S	Bend	trans	-102.3	-14.8	177.3	0	0	0	0	0	115
393	F	28.3	Very low	31.9	Very low	201 Å²	201	131.9 Å²	131.9	88%	0.882	72%	0.72	S	S	*	*	S	Bend	trans	-89.5	-1	-175.2	-102.1	-87	0	0	0	115.9
394	E	28.8	Very low	31	Very low	145 Å²	145	133.6 Å²	133.6	68%	0.678	73%	0.728	S	S	*	*	S	Bend	trans	-103	3.7	-166.3	-117.8	-167.6	158.4	0	0	117
395	K	29.5	Very low	30.2	Very low	203 Å²	203	130.6 Å²	130.6	88%	0.883	73%	0.726	S	S	*	*	S	Bend	trans	-96	-3.7	-172.3	-96.4	179.1	179.6	173.2	0	118.1
396	N	26.5	Very low	29.9	Very low	169 Å²	169	137.3 Å²	137.3	90%	0.904	76%	0.756	S	S	*	*	S	Bend	trans	-114.2	12.5	-175.1	-85	-12.2	0	0	0	117.1
397	S	28.1	Very low	29.4	Very low	117 Å²	117	141.3 Å²	141.3	82%	0.818	78%	0.778	S	S	*	*			trans	-125.3	14.7	-177.6	-134.4	0	0	0	0	117	R399	S397-R399 PolarHBondContact O-N 3.4Å
398	R	25.3	Very low	29.1	Very low	223 Å²	223	141.7 Å²	141.7	84%	0.842	78%	0.782	S	S	*	*			trans	-95.6	86	174.4	-72.1	-169.9	-171.1	-161.8	3.7	112.8
399	R	27.8	Very low	28.9	Very low	237 Å²	237	147.1 Å²	147.1	89%	0.894	80%	0.795	S	S	*	*			trans	-168.6	89.7	148.3	-98.5	177.3	-167	-160	3.4	104.6	S397	S397-R399 PolarHBondContact O-N 3.4Å
400	S	29.8	Very low	28.8	Very low	114 Å²	114	148.5 Å²	148.5	80%	0.797	81%	0.806	S	S	*	*				-175.5	127.7	99.5	-60.3	0	0	0	0	109.5
401	S	27.8	Very low	28.6	Very low	116 Å²	116	150.9 Å²	150.9	81%	0.811	81%	0.809	S	S	*	*			trans	10.8	144.2	144.3	-45.3	0	0	0	0	119.4
402	S	27.5	Very low	28.4	Very low	100 Å²	100	148.2 Å²	148.2	70%	0.699	81%	0.806	S	S	*	*			cis	173.8	143.8	-0	50.1	0	0	0	0	109
403	T	28.1	Very low	28.3	Very low	121 Å²	121	151.5 Å²	151.5	74%	0.742	81%	0.809	S	S	*	*			trans	85.6	133.1	144.9	-12.2	0	0	0	0	122.4
404	I	29.2	Very low	28.2	Very low	165 Å²	165	146.3 Å²	146.3	85%	0.846	80%	0.798	S	S	*	*			trans	83.5	119.7	157.7	-50	174	0	0	0	115.1
405	G	29.1	Very low	28	Very low	61 Å²	61	144.6 Å²	144.6	63%	0.629	80%	0.797	S	S	*	*			cis	150.4	126.9	2.6	0	0	0	0	0	110
406	Q	31.9	Very low	27.9	Very low	183 Å²	183	141.6 Å²	141.6	86%	0.855	79%	0.791	S	S	*	*			trans	66.3	146.9	154.6	-59.6	179.9	0.7	0	0	117.5
407	N	29.3	Very low	28	Very low	136 Å²	136	142.9 Å²	142.9	73%	0.727	79%	0.792	S	S	*	*			cis	-170.7	160.5	-3.8	-115.8	-34.5	0	0	0	106.6
408	C	27.6	Very low	27.7	Very low	127 Å²	127	144.4 Å²	144.4	86%	0.858	79%	0.79	S	S	*	*			trans	121.9	126.8	151.1	-66.9	0	0	0	0	117.1
409	K	29.6	Very low	27.9	Very low	201 Å²	201	139.9 Å²	139.9	87%	0.874	79%	0.789	S	S	*	*			trans	-96.1	166.6	-158.4	-75.8	175.1	175.6	178.4	0	113.6
410	P	31.6	Very low	27.8	Very low	122 Å²	122	138.7 Å²	138.7	79%	0.792	79%	0.785	S	S	*	*			trans	-92.6	163.6	-176	37.4	-33.6	0	0	0	113.9
411	F	25.8	Very low	27.8	Very low	210 Å²	210	141.4 Å²	141.4	92%	0.921	79%	0.791	S	S	*	*			trans	-125.6	132.2	166.7	-103.9	-85.7	0	0	0	109.8
412	G	24.3	Very low	27.7	Very low	69 Å²	69	143 Å²	143	71%	0.711	79%	0.79	S	S	*	*			trans	-114.4	151.9	169.9	0	0	0	0	0	111.7
413	I	28.2	Very low	27.7	Very low	161 Å²	161	150.1 Å²	150.1	83%	0.826	80%	0.801	S	S	*	*			trans	-155.6	106.3	163.8	-53.9	-178.2	0	0	0	105.3
414	S	26.6	Very low	27.4	Very low	93 Å²	93	156 Å²	156	65%	0.65	81%	0.81	S	S	*	*				67	106.4	84.4	-149.7	0	0	0	0	117.4
415	T	25.3	Very low	27.3	Very low	108 Å²	108	154.7 Å²	154.7	66%	0.663	81%	0.809	S	S	*	*			trans	62.8	131.3	130.3	58.3	0	0	0	0	123.7
416	N	25.9	Very low	27.1	Very low	140 Å²	140	155.8 Å²	155.8	75%	0.749	81%	0.813	S	S	*	*			trans	76.3	110.6	140.6	-62.9	-23.7	0	0	0	119.3
417	Q	28.9	Very low	26.8	Very low	197 Å²	197	154.5 Å²	154.5	92%	0.921	81%	0.811	S	S	*	*				179.9	123.8	112.7	-95.2	170.9	63.8	0	0	112.3
418	L	23	Very low	26.5	Very low	148 Å²	148	152.1 Å²	152.1	78%	0.775	81%	0.805	S	S	*	*			trans	-70.4	157.8	164.1	-107.4	123.5	0	0	0	110	R420	L418-R420 HydrophobicContact CD2-CG 4.35Å
419	P	29.2	Very low	26.4	Very low	128 Å²	128	152.7 Å²	152.7	83%	0.831	80%	0.799	S	S	*	*				-144.3	153.1	94.2	31.5	-12.2	0	0	0	116.6
420	R	25.3	Very low	26.2	Very low	212 Å²	212	150.6 Å²	150.6	80%	0.8	80%	0.797	S	S	*	*			trans	-49.1	144.2	169.1	-69.1	168.2	163.6	144.3	-4.5	113.4	L418	L418-R420 HydrophobicContact CD2-CG 4.35Å
421	N	29.6	Very low	26	Very low	172 Å²	172	149.9 Å²	149.9	92%	0.92	79%	0.791	S	S	*	*			trans	-147.6	118.7	132.6	-112.1	-18.3	0	0	0	111.9
422	N	25	Very low	26.4	Very low	149 Å²	149	145 Å²	145	80%	0.797	78%	0.783	S	S	*	*			trans	-74.4	139	172.1	-83.3	-29.7	0	0	0	110.3
423	R	28	Very low	26.7	Very low	250 Å²	250	148.3 Å²	148.3	94%	0.943	77%	0.774	S	S	*	*			trans	-151.7	116.9	138.2	-112.1	176.1	-175.4	-179	0.9	110.2
424	R	23.1	Very low	26.7	Very low	244 Å²	244	145.8 Å²	145.8	92%	0.921	76%	0.763	S	S	*	*			trans	-63.1	137.3	170.8	-70.2	176.9	-177	-172.2	-0.7	110.2
425	V	27	Very low	27	Very low	137 Å²	137	147.4 Å²	147.4	83%	0.83	76%	0.76	S	S	*	*			trans	-135.9	124.6	139	178.4	0	0	0	0	106.4
426	A	23	Very low	27.3	Very low	85 Å²	85	147.1 Å²	147.1	70%	0.702	76%	0.761	S	S	*	*			trans	-79.8	131.1	174.8	0	0	0	0	0	109.1
427	L	26	Very low	27.5	Very low	155 Å²	155	145.7 Å²	145.7	81%	0.812	75%	0.753	S	S	*	*			trans	-132.7	79.9	160.9	-98.9	151.7	0	0	0	106.2
428	S	24.5	Very low	27.5	Very low	86 Å²	86	141.1 Å²	141.1	60%	0.601	73%	0.734	S	S	*	*			trans	-67.1	149.1	150.3	38.9	0	0	0	0	108.7
429	D	24.7	Very low	28	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	72%	0.722	S	S	*	*			trans	78.1	74.3	166.5	-46.8	-30.7	0	0	0	117.6
430	L	26	Very low	28.1	Very low	157 Å²	157	138.4 Å²	138.4	82%	0.822	71%	0.71	S	S	*	*			trans	-134	89.2	146	-85.8	165.7	0	0	0	107.9
431	T	27.8	Very low	28.3	Very low	108 Å²	108	133.9 Å²	133.9	66%	0.663	70%	0.7	S	S	*	*			trans	-70.7	163.4	174.4	48.6	0	0	0	0	110.8	Y433	T431-Y433 PolarHBondContact O-N 3.09Å
432	S	32.8	Very low	28.4	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	40.1	-172	67.5	0	0	0	0	116.4
433	Y	30.4	Very low	28.6	Very low	137 Å²	137	129 Å²	129	54%	0.537	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.2	-26.7	-172.5	-107.4	-95.7	0	0	0	114.5	T431	T431-Y433 PolarHBondContact O-N 3.09Å
434	D	29.3	Very low	28.6	Very low	108 Å²	108	124.3 Å²	124.3	58%	0.578	67%	0.673	S	S	*	*	H	α-helix	trans	-95.6	-17.3	-172.4	-82.6	-40.1	0	0	0	115.9	L438	D434-L438 PolarHBondContact O-N 3.35Å
435	E	32.2	Very low	29	Very low	128 Å²	128	118.1 Å²	118.1	60%	0.598	66%	0.662	S	S	*	*	H	α-helix	trans	-77	-25.2	178.7	-91.5	-80.7	142	0	0	113.3	R439	E435-R439 WeakPolarHBondContact O-CG 3.28Å; E435-R439 PolarHBondContact O-N 3.28Å; E435-R439 IonicContact OE2-NE 3.34Å
436	C	32.2	Very low	29	Very low	102 Å²	102	117.7 Å²	117.7	69%	0.689	66%	0.662	S	S	*	*	H	α-helix	trans	-83.7	-33.2	-177.4	-129.9	0	0	0	0	112.6	S440	C436-S440 PolarHBondContact O-N 3.28Å
437	L	29.9	Very low	29.4	Very low	110 Å²	110	121.3 Å²	121.3	58%	0.576	66%	0.664	S	S	*	*	H	α-helix	trans	-73.4	-39	174.7	-98.6	160.7	0	0	0	112	R439 S440 I441	L437-R439 VanDerWaalsContact C-N 3.3Å; L437-R439 PolarHBondContact O-N 3.44Å; L437-S440 PolarHBondContact O-N 3.08Å; L437-I441 WeakPolarHBondContact O-CG1 3.24Å; L437-I441 PolarHBondContact O-N 3.08Å
438	L	27.9	Very low	29.4	Very low	101 Å²	101	120.6 Å²	120.6	53%	0.529	67%	0.667	S	S	.	*	H	α-helix	trans	-65.8	-31	175.2	-92.2	158	0	0	0	112.8	D434 L442	D434-L438 PolarHBondContact O-N 3.35Å; L438-L442 WeakPolarHBondContact O-CD1 3.38Å; L438-L442 WeakPolarHBondContact O-CG 3.35Å; L438-L442 PolarHBondContact O-N 2.91Å
439	R	33.5	Very low	29.6	Very low	137 Å²	137	121.3 Å²	121.3	52%	0.517	67%	0.672	S	S	.	*	H	α-helix	trans	-75.5	-30.8	174.7	-77.3	-175.8	178.2	-105.2	0.4	113.8	E435 L437 I441 L442 S443	E435-R439 WeakPolarHBondContact O-CG 3.28Å; E435-R439 PolarHBondContact O-N 3.28Å; E435-R439 IonicContact OE2-NE 3.34Å; L437-R439 VanDerWaalsContact C-N 3.3Å; L437-R439 PolarHBondContact O-N 3.44Å; R439-I441 VanDerWaalsContact C-N 3.32Å; R439-L442 PolarHBondContact O-N 2.76Å; R439-S443 PolarHBondContact O-N 2.63Å; R439-S443 PolarHBondContact O-OG 2.72Å
440	S	31.4	Very low	29.7	Very low	81 Å²	81	121.7 Å²	121.7	57%	0.566	68%	0.678	S	S	*	*	H	α-helix	trans	-69	-31.2	174.1	-161.7	0	0	0	0	112.4	C436 L437 S443	C436-S440 PolarHBondContact O-N 3.28Å; L437-S440 PolarHBondContact O-N 3.08Å; S440-S443 PolarHBondContact O-OG 2.9Å
441	I	31.1	Very low	29.7	Very low	117 Å²	117	122 Å²	122	60%	0.6	68%	0.675	S	S	*	*	H	α-helix	trans	-74	-26.9	175.3	-65.6	166.9	0	0	0	111.9	L437 R439	L437-I441 WeakPolarHBondContact O-CG1 3.24Å; L437-I441 PolarHBondContact O-N 3.08Å; R439-I441 VanDerWaalsContact C-N 3.32Å
442	L	30	Very low	29.9	Very low	145 Å²	145	124.7 Å²	124.7	76%	0.759	69%	0.686	S	S	*	*	H	α-helix	trans	-92.4	-10.4	-178.7	-67.6	169.3	0	0	0	113.6	L438 R439	L438-L442 WeakPolarHBondContact O-CD1 3.38Å; L438-L442 WeakPolarHBondContact O-CG 3.35Å; L438-L442 PolarHBondContact O-N 2.91Å; R439-L442 PolarHBondContact O-N 2.76Å
443	S	30.6	Very low	29.8	Very low	73 Å²	73	127 Å²	127	51%	0.51	69%	0.69	S	S	.	*			trans	-102.9	74.8	175.6	63.6	0	0	0	0	111.8	R439 S440 T445	R439-S443 PolarHBondContact O-N 2.63Å; R439-S443 PolarHBondContact O-OG 2.72Å; S440-S443 PolarHBondContact O-OG 2.9Å; S443-T445 PolarHBondContact O-N 2.62Å; S443-T445 VanDerWaalsContact O-N 3.07Å
444	N	27.9	Very low	29.7	Very low	153 Å²	153	125 Å²	125	82%	0.818	70%	0.696	S	S	*	*			trans	-68.9	100.8	173	-85.8	-28.5	0	0	0	111.4
445	T	30.7	Very low	29.8	Very low	113 Å²	113	127 Å²	127	69%	0.693	71%	0.707	S	S	*	*			trans	-114.9	125.2	151.4	42.5	0	0	0	0	108.6	S443 H447	S443-T445 PolarHBondContact O-N 2.62Å; S443-T445 VanDerWaalsContact O-N 3.07Å; T445-H447 PolarHBondContact O-N 3.12Å
446	P	27.3	Very low	29.6	Very low	128 Å²	128	124.3 Å²	124.3	83%	0.831	71%	0.713	S	S	*	*			trans	-77.9	108.8	-172.8	30.9	-30.9	0	0	0	109.7
447	H	30.6	Very low	29.6	Very low	161 Å²	161	127.3 Å²	127.3	75%	0.745	72%	0.721	S	S	*	*			trans	-105.6	112.5	157.9	-85.9	-63.9	0	0	0	109	T445 S449	T445-H447 PolarHBondContact O-N 3.12Å; H447-S449 PolarHBondContact O-N 3Å
448	T	25.7	Very low	29.6	Very low	141 Å²	141	131 Å²	131	87%	0.865	74%	0.735	S	S	*	*			trans	-46.9	111.5	165.6	43.3	0	0	0	0	111.1
449	S	29.6	Very low	29.8	Very low	101 Å²	101	131 Å²	131	71%	0.706	74%	0.74	S	S	*	*			trans	-121.3	112.1	162.3	60.3	0	0	0	0	109.1	H447 Q451	H447-S449 PolarHBondContact O-N 3Å; S449-Q451 PolarHBondContact O-N 3.03Å
450	V	26.4	Very low	29.7	Very low	146 Å²	146	132.4 Å²	132.4	89%	0.885	76%	0.756	S	S	*	*			trans	-67.1	111.8	166.4	175.2	0	0	0	0	107.6
451	Q	27.3	Very low	29.4	Very low	163 Å²	163	135.9 Å²	135.9	76%	0.762	77%	0.765	S	S	*	*			trans	-114.5	131.6	156	-80.8	-175.6	-27.9	0	0	106.3	S449	S449-Q451 PolarHBondContact O-N 3.03Å
452	N	30.5	Very low	29.4	Very low	166 Å²	166	138.2 Å²	138.2	89%	0.888	77%	0.774	S	S	*	*			trans	-145	125.9	147.7	-94.5	-23.8	0	0	0	109.7
453	N	30.8	Very low	29.3	Very low	157 Å²	157	134.1 Å²	134.1	84%	0.84	77%	0.767	S	S	*	*			trans	-69	167.7	179.2	-83.7	-18.1	0	0	0	112.4
454	S	28.4	Very low	29.3	Very low	93 Å²	93	139.2 Å²	139.2	65%	0.65	78%	0.78	S	S	*	*			trans	-55.7	164.2	179.6	57.7	0	0	0	0	116.1
455	D	32	Very low	29.4	Very low	152 Å²	152	139.3 Å²	139.3	81%	0.813	78%	0.775	S	S	*	*			trans	86.8	102.1	152	-53.7	-41.1	0	0	0	119.1
456	G	28.1	Very low	29.4	Very low	71 Å²	71	139 Å²	139	73%	0.732	77%	0.77	S	S	*	*				102.6	109.6	116.1	0	0	0	0	0	118.4
457	I	32.3	Very low	29.5	Very low	165 Å²	165	138.5 Å²	138.5	85%	0.846	76%	0.759	S	S	*	*			trans	89.8	90.4	144.4	-46.5	-178.1	0	0	0	118
458	H	30.2	Very low	29.4	Very low	188 Å²	188	136.5 Å²	136.5	87%	0.87	75%	0.754	S	S	*	*			trans	53.3	143.6	132.2	-99.6	-93.4	0	0	0	124.1
459	P	31.2	Very low	29.5	Very low	99 Å²	99	138.5 Å²	138.5	64%	0.643	75%	0.754	S	S	*	*			trans	-113.6	165.7	-161.4	41.2	-27.6	0	0	0	114.5
460	I	31.2	Very low	29.5	Very low	167 Å²	167	138.2 Å²	138.2	86%	0.856	75%	0.752	S	S	*	*			trans	-165.6	107.7	153.9	-88.3	135.5	0	0	0	105.8
461	M	26.2	Very low	29.5	Very low	154 Å²	154	143 Å²	143	76%	0.759	76%	0.755	S	S	*	*				83.3	130.8	82	-103.7	-118.9	111.7	0	0	115.2
462	Q	29.9	Very low	29.3	Very low	167 Å²	167	143.5 Å²	143.5	78%	0.78	76%	0.759	S	S	*	*			trans	81	134.8	161.7	-60	169.4	-6.6	0	0	116.8
463	G	27.9	Very low	29.2	Very low	59 Å²	59	141.3 Å²	141.3	61%	0.608	75%	0.752	S	S	*	*			cis	156.1	164.1	6	0	0	0	0	0	109.7
464	F	31	Very low	29.1	Very low	180 Å²	180	140.3 Å²	140.3	79%	0.789	75%	0.746	S	S	*	*			trans	90.2	107.2	163	-58.6	-80.2	0	0	0	117.6
465	H	30.4	Very low	29.1	Very low	154 Å²	154	143.1 Å²	143.1	71%	0.713	75%	0.753	S	S	*	*				71.9	138.8	78.7	-89	-74	0	0	0	111.5
466	N	29.3	Very low	28.9	Very low	108 Å²	108	144.2 Å²	144.2	58%	0.578	75%	0.752	S	S	*	*			cis	-178.3	163.9	2.2	-133.2	16.3	0	0	0	108.2
467	N	30.1	Very low	28.8	Very low	116 Å²	116	148.3 Å²	148.3	62%	0.62	76%	0.757	S	S	*	*			trans	71.4	149.3	141.6	-63.5	-2.9	0	0	0	119.1
468	N	29.4	Very low	28.6	Very low	119 Å²	119	152.3 Å²	152.3	64%	0.636	76%	0.762	S	S	*	*			cis	-170.4	131.7	-2.1	-101.7	-3.8	0	0	0	105.1
469	E	27.2	Very low	28.3	Very low	183 Å²	183	154.9 Å²	154.9	86%	0.855	76%	0.764	S	S	*	*				72.5	150.8	101.4	-66.5	-155.7	145.6	0	0	118.9
470	S	29.1	Very low	28.3	Very low	96 Å²	96	155.9 Å²	155.9	67%	0.671	77%	0.773	S	S	*	*			trans	95.5	124.8	171.6	121.3	0	0	0	0	115.1
471	W	26.3	Very low	28.1	Very low	247 Å²	247	154.9 Å²	154.9	94%	0.936	77%	0.77	S	S	*	*			cis	-153.5	152.3	21.5	-91.6	-31.9	0	0	0	113.3
472	M	23.6	Very low	28.3	Very low	172 Å²	172	153.1 Å²	153.1	85%	0.847	77%	0.77	S	S	*	*			trans	-60.1	147.6	166.5	-66.3	178.1	164.2	0	0	112.9
473	T	27.7	Very low	28.3	Very low	121 Å²	121	153 Å²	153	74%	0.742	77%	0.773	S	S	*	*				165.3	146	105.3	41.3	0	0	0	0	111.7
474	N	28.9	Very low	28.3	Very low	136 Å²	136	158.8 Å²	158.8	73%	0.727	78%	0.784	S	S	*	*			trans	89.2	110.9	147.5	-78.2	-31.9	0	0	0	121.8
475	I	29.5	Very low	28.1	Very low	152 Å²	152	156.7 Å²	156.7	78%	0.779	78%	0.781	S	S	*	*				101.2	126.7	127.2	-60.9	162.5	0	0	0	117.8
476	H	26.7	Very low	27.9	Very low	175 Å²	175	154.8 Å²	154.8	81%	0.81	78%	0.782	S	S	*	*			trans	-51.1	161.2	-176.1	-73	-76.1	0	0	0	117.9
477	N	25.6	Very low	27.8	Very low	156 Å²	156	156 Å²	156	83%	0.834	79%	0.788	S	S	*	*			trans	75	90	163.7	-68.1	-15.7	0	0	0	117.7
478	R	28.3	Very low	27.8	Very low	249 Å²	249	157.4 Å²	157.4	94%	0.94	80%	0.795	S	S	*	*			trans	-141.4	120.2	150.2	-74.5	-164.2	-171.5	-147.7	2.2	112.3
479	R	25	Very low	27.8	Very low	242 Å²	242	155.7 Å²	155.7	91%	0.913	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-47.3	127.1	157.9	-77.7	173.4	167.2	-171.8	-5.5	109.8
480	S	30.1	Very low	28	Very low	121 Å²	121	149.9 Å²	149.9	85%	0.846	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-93.4	119.8	172	33.1	0	0	0	0	110.6
481	N	28	Very low	28.2	Very low	145 Å²	145	150.2 Å²	150.2	78%	0.775	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-65.7	155.9	178.5	-76.5	-31.1	0	0	0	113.2
482	P	29.4	Very low	28.4	Very low	117 Å²	117	140.9 Å²	140.9	76%	0.76	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-71.1	139.8	172	31.2	-32.1	0	0	0	110.8	Q484	P482-Q484 PolarHBondContact O-N 3.43Å
483	I	30.3	Very low	28.8	Very low	166 Å²	166	137.5 Å²	137.5	85%	0.851	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-64.1	124	178.4	-67.2	167.7	0	0	0	109.4
484	Q	29	Very low	29.1	Very low	180 Å²	180	138 Å²	138	84%	0.841	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-67.9	122.1	176.4	-71.1	171.2	-32.1	0	0	110.7	P482 P486	P482-Q484 PolarHBondContact O-N 3.43Å; Q484-P486 WeakPolarHBondContact O-CD 3.39Å
485	N	26.3	Very low	29.2	Very low	135 Å²	135	134.9 Å²	134.9	72%	0.722	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-84	118	165.5	-91	-21.5	0	0	0	109.9	L487	N485-L487 PolarHBondContact O-N 3.18Å
486	P	26.4	Very low	29.5	Very low	115 Å²	115	130.7 Å²	130.7	75%	0.747	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	74.9	175.8	34.9	-30	0	0	0	110.1	Q484	Q484-P486 WeakPolarHBondContact O-CD 3.39Å
487	L	27.7	Very low	29.8	Very low	132 Å²	132	127.1 Å²	127.1	69%	0.691	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.8	-0	172.7	-77.7	171.8	0	0	0	114.3	N485	N485-L487 PolarHBondContact O-N 3.18Å
488	L	29.6	Very low	30.2	Very low	147 Å²	147	123.9 Å²	123.9	77%	0.77	65%	0.654	S	S	*	*	S	Bend	trans	-89.3	-13.1	178.3	-85.7	118.9	0	0	0	115
489	S	29.7	Very low	30.5	Very low	83 Å²	83	115.2 Å²	115.2	58%	0.58	63%	0.625	S	S	*	*	H	α-helix	trans	-86.1	-20.2	-176.6	70.4	0	0	0	0	114.7	N493	S489-N493 PolarHBondContact O-ND2 3.48Å
490	S	31	Very low	30.9	Very low	60 Å²	60	107.2 Å²	107.2	42%	0.42	61%	0.607	S	S	.	*	H	α-helix	trans	-81	-33.3	-176.6	51	0	0	0	0	113.7
491	N	33.2	Very low	31	Very low	104 Å²	104	109.3 Å²	109.3	56%	0.556	60%	0.603	S	S	*	*	H	α-helix	trans	-76.4	-27.7	-179.7	-80.9	-6.7	0	0	0	113.5	L495	N491-L495 PolarHBondContact O-N 3.33Å
492	C	30.3	Very low	31.1	Very low	50 Å²	50	109.4 Å²	109.4	34%	0.338	60%	0.603	S	S	.	*	H	α-helix	trans	-68.4	-37.5	176.4	-72.1	0	0	0	0	112.2	Q494 L495 V496 I542	C492-Q494 PolarHBondContact O-N 2.85Å; C492-L495 PolarHBondContact O-N 2.76Å; C492-V496 WeakPolarHBondContact O-CG2 3.5Å; C492-V496 PolarHBondContact O-N 2.81Å; C492-V496 VanDerWaalsContact O-N 3.13Å; C492-I542 HydrophobicContact CB-CD1 4.02Å
493	N	32.1	Very low	31	Very low	101 Å²	101	109.9 Å²	109.9	54%	0.54	60%	0.599	S	S	.	*	H	α-helix	trans	-71.4	-30.3	-179.8	-69.6	-25.5	0	0	0	112.9	S489 N497	S489-N493 PolarHBondContact O-ND2 3.48Å; N493-N497 PolarHBondContact O-N 2.81Å
494	Q	33.8	Very low	31	Very low	133 Å²	133	107.5 Å²	107.5	62%	0.621	59%	0.593	S	S	*	*	H	α-helix	trans	-71.5	-34.6	173.4	-70.4	-171.6	-3.9	0	0	112.1	C492 N497 V498	C492-Q494 PolarHBondContact O-N 2.85Å; Q494-N497 PolarHBondContact O-N 3.34Å; Q494-V498 WeakPolarHBondContact O-CG2 3.42Å; Q494-V498 PolarHBondContact O-N 2.88Å; Q494-V498 VanDerWaalsContact O-N 3.13Å
495	L	32.2	Very low	30.9	Very low	69 Å²	69	106.8 Å²	106.8	36%	0.361	59%	0.594	S	S	.	*	H	α-helix	trans	-67.4	-40.7	175.8	-98.4	151.7	0	0	0	113.2	N491 C492 N497 V498 I499 L525	N491-L495 PolarHBondContact O-N 3.33Å; C492-L495 PolarHBondContact O-N 2.76Å; L495-N497 PolarHBondContact O-N 2.74Å; L495-V498 PolarHBondContact O-N 3.18Å; L495-I499 HydrophobicContact CD2-CD1 4.32Å; L495-I499 WeakPolarHBondContact O-CB 3.39Å; L495-I499 WeakPolarHBondContact O-CG1 3.41Å; L495-I499 PolarHBondContact O-N 3.16Å; L495-L525 HydrophobicContact CD1-CD1 3.66Å; L495-L525 HydrophobicContact CD2-CD1 3.74Å; L495-L525 HydrophobicContact CG-CD1 4.32Å
496	V	34.7	Very low	30.9	Very low	64 Å²	64	104.9 Å²	104.9	39%	0.388	60%	0.597	S	S	.	*	H	α-helix	trans	-61.3	-33.9	174.3	175.2	0	0	0	0	111.1	C492 S500 T544	C492-V496 WeakPolarHBondContact O-CG2 3.5Å; C492-V496 PolarHBondContact O-N 2.81Å; C492-V496 VanDerWaalsContact O-N 3.13Å; V496-S500 VanDerWaalsContact O-CB 3.29Å; V496-S500 WeakPolarHBondContact O-CB 3.23Å; V496-S500 PolarHBondContact O-N 3.48Å; V496-S500 PolarHBondContact O-OG 3.42Å; V496-T544 HydrophobicContact CG2-CG2 3.78Å
497	N	34.2	Very low	30.9	Very low	101 Å²	101	105.6 Å²	105.6	54%	0.54	60%	0.599	S	S	.	*	H	α-helix	trans	-73.6	-33.2	175.7	-81.7	-15.3	0	0	0	114.1	N493 Q494 L495 S500 Q501	N493-N497 PolarHBondContact O-N 2.81Å; Q494-N497 PolarHBondContact O-N 3.34Å; L495-N497 PolarHBondContact O-N 2.74Å; N497-S500 PolarHBondContact O-OG 2.79Å; N497-Q501 WeakPolarHBondContact O-CG 3.42Å; N497-Q501 PolarHBondContact O-N 2.89Å
498	V	33.8	Very low	31	Very low	88 Å²	88	108.2 Å²	108.2	53%	0.533	61%	0.605	S	S	.	*	H	α-helix	trans	-74.4	-36.3	175.6	175.5	0	0	0	0	110.6	Q494 L495 Q501	Q494-V498 WeakPolarHBondContact O-CG2 3.42Å; Q494-V498 PolarHBondContact O-N 2.88Å; Q494-V498 VanDerWaalsContact O-N 3.13Å; L495-V498 PolarHBondContact O-N 3.18Å; V498-Q501 PolarHBondContact O-N 2.94Å
499	I	34.2	Very low	30.8	Very low	66 Å²	66	107 Å²	107	34%	0.338	60%	0.604	S	S	.	*	H	α-helix	trans	-70.9	-39.2	176.7	-73.6	167.6	0	0	0	111.5	L495 Q501 L502 M554	L495-I499 HydrophobicContact CD2-CD1 4.32Å; L495-I499 WeakPolarHBondContact O-CB 3.39Å; L495-I499 WeakPolarHBondContact O-CG1 3.41Å; L495-I499 PolarHBondContact O-N 3.16Å; I499-Q501 PolarHBondContact O-N 3.18Å; I499-L502 PolarHBondContact O-N 2.69Å; I499-M554 HydrophobicContact CB-SD 4.23Å; I499-M554 HydrophobicContact CD1-SD 3.85Å; I499-M554 HydrophobicContact CG1-SD 4.02Å; I499-M554 HydrophobicContact CG2-CE 3.31Å; I499-M554 HydrophobicContact CG2-SD 3.22Å; I499-M554 WeakPolarHBondContact CG2-SD 3.43Å
500	S	33.7	Very low	30.6	Very low	75 Å²	75	110.3 Å²	110.3	52%	0.524	62%	0.615	S	S	.	*	H	α-helix	trans	-69.1	-18	177.5	73.8	0	0	0	0	113.7	V496 N497	V496-S500 VanDerWaalsContact O-CB 3.29Å; V496-S500 WeakPolarHBondContact O-CB 3.23Å; V496-S500 PolarHBondContact O-N 3.48Å; V496-S500 PolarHBondContact O-OG 3.42Å; N497-S500 PolarHBondContact O-OG 2.79Å
501	Q	32.2	Very low	30.3	Very low	165 Å²	165	115.1 Å²	115.1	77%	0.771	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-10.2	174.3	-73.9	-176.2	13.4	0	0	113.8	N497 V498 I499	N497-Q501 WeakPolarHBondContact O-CG 3.42Å; N497-Q501 PolarHBondContact O-N 2.89Å; V498-Q501 PolarHBondContact O-N 2.94Å; I499-Q501 PolarHBondContact O-N 3.18Å
502	L	30.4	Very low	29.9	Very low	146 Å²	146	119.1 Å²	119.1	76%	0.764	66%	0.656	S	S	*	*	S	Bend	trans	-98.2	-1.4	-175.7	-76.1	164.9	0	0	0	114	I499	I499-L502 PolarHBondContact O-N 2.69Å
503	D	26.8	Very low	29.7	Very low	127 Å²	127	121 Å²	121	68%	0.679	67%	0.669	S	S	*	*			trans	-114.6	142	-179.7	-139.7	-18	0	0	0	112.4
504	T	29.6	Very low	29.4	Very low	117 Å²	117	124 Å²	124	72%	0.718	68%	0.68	S	S	*	*	S	Bend	trans	87.8	88.3	-177.7	74	0	0	0	0	118.7
505	N	26.7	Very low	29	Very low	164 Å²	164	123 Å²	123	88%	0.877	69%	0.694	S	S	*	*			trans	59.5	73.1	130.6	-62	-31.9	0	0	0	120.1
506	A	26	Very low	28.7	Very low	95 Å²	95	123.5 Å²	123.5	79%	0.785	71%	0.708	S	S	*	*			trans	167.7	117.1	140.8	0	0	0	0	0	105.5
507	V	27.5	Very low	28.7	Very low	130 Å²	130	126.6 Å²	126.6	79%	0.788	73%	0.73	S	S	*	*				-166	118.5	87.1	161.8	0	0	0	0	106.1
508	K	28.7	Very low	28.9	Very low	188 Å²	188	125.4 Å²	125.4	82%	0.817	72%	0.723	S	S	*	*			trans	-61.5	135.8	165.6	-92.3	172.5	170.5	170.7	0	109.3
509	T	25.1	Very low	29.2	Very low	120 Å²	120	125.1 Å²	125.1	74%	0.736	72%	0.718	S	S	*	*	S	Bend	trans	52.4	93.4	149	55.7	0	0	0	0	116.5
510	D	25.8	Very low	29.6	Very low	154 Å²	154	125.6 Å²	125.6	82%	0.824	73%	0.725	S	S	*	*			trans	177.2	1.1	143.6	-92	-13.1	0	0	0	114.8
511	L	26	Very low	29.9	Very low	161 Å²	161	127 Å²	127	84%	0.843	73%	0.727	S	S	*	*			trans	-93.8	12.6	-176	-73.8	170.8	0	0	0	116.4	S513	L511-S513 PolarHBondContact O-N 3.41Å
512	L	24.8	Very low	30.5	Very low	188 Å²	188	121.1 Å²	121.1	98%	0.984	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	13.6	-179	-89.1	160.8	0	0	0	114.9
513	S	25	Very low	31.1	Very low	89 Å²	89	115.3 Å²	115.3	62%	0.622	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	-1.9	-175.9	61.1	0	0	0	0	116.3	L511	L511-S513 PolarHBondContact O-N 3.41Å
514	H	25.4	Very low	32.1	Very low	163 Å²	163	110.1 Å²	110.1	76%	0.755	65%	0.647	S	S	*	*			trans	-130.7	92.1	-177.8	-68.6	-12.7	0	0	0	111.5	A516	H514-A516 PolarHBondContact O-N 3.36Å
515	A	26	Very low	32.9	Very low	113 Å²	113	107.3 Å²	107.3	93%	0.934	63%	0.627	S	S	*	*			trans	-67.2	92.8	166.8	0	0	0	0	0	109.2
516	A	25.8	Very low	33.7	Very low	79 Å²	79	99.9 Å²	99.9	65%	0.653	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-75.7	141.8	167.3	0	0	0	0	0	109.3	H514 I518	H514-A516 PolarHBondContact O-N 3.36Å; A516-I518 PolarHBondContact O-N 3.31Å
517	P	34.4	Very low	34.8	Very low	129 Å²	129	96.2 Å²	96.2	84%	0.838	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-63.1	128.9	-179.3	9	-4	0	0	0	110.3	N519	P517-N519 PolarHBondContact O-N 3.04Å
518	I	38.4	Very low	35.8	Very low	76 Å²	76	92.4 Å²	92.4	39%	0.39	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-63.5	129.4	-178.7	-61.8	167.2	0	0	0	109.2	A516	A516-I518 PolarHBondContact O-N 3.31Å
519	N	41	Very low	36.3	Very low	83 Å²	83	85.9 Å²	85.9	44%	0.444	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-60.1	127.3	-179.7	-178.3	-17.9	0	0	0	110.6	P517 N521 T522	P517-N519 PolarHBondContact O-N 3.04Å; N519-N521 PolarHBondContact O-N 2.95Å; N519-N521 VanDerWaalsContact OD1-CB 3.25Å; N519-N521 WeakPolarHBondContact OD1-CB 3.26Å; N519-N521 VanDerWaalsContact OD1-CG 3.3Å; N519-N521 PolarHBondContact OD1-N 3.44Å; N519-N521 PolarHBondContact OD1-ND2 2.86Å; N519-T522 PolarHBondContact O-N 3.37Å; N519-T522 PolarHBondContact O-OG1 3.34Å
520	P	41.4	Very low	37.3	Very low	75 Å²	75	81 Å²	81	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-54.8	-26.1	177.7	21.4	-33.9	0	0	0	113.3	T522 M523 A524	P520-T522 VanDerWaalsContact C-N 3.33Å; P520-T522 PolarHBondContact O-N 2.92Å; P520-M523 PolarHBondContact O-N 3.22Å; P520-A524 WeakPolarHBondContact O-CB 3.35Å; P520-A524 PolarHBondContact O-N 3.15Å; P520-A524 VanDerWaalsContact O-N 3.08Å
521	N	40.9	Very low	38.1	Very low	104 Å²	104	77.4 Å²	77.4	56%	0.556	46%	0.46	S	S	*	.	H	α-helix	trans	-64.9	-35.1	177.7	-64.4	-20.3	0	0	0	112.5	N519 A524 L525	N519-N521 PolarHBondContact O-N 2.95Å; N519-N521 VanDerWaalsContact OD1-CB 3.25Å; N519-N521 WeakPolarHBondContact OD1-CB 3.26Å; N519-N521 VanDerWaalsContact OD1-CG 3.3Å; N519-N521 PolarHBondContact OD1-N 3.44Å; N519-N521 PolarHBondContact OD1-ND2 2.86Å; N521-A524 PolarHBondContact O-N 3.14Å; N521-L525 WeakPolarHBondContact O-CB 3.07Å; N521-L525 PolarHBondContact O-N 3.44Å
522	T	45.6	Very low	38.8	Very low	42 Å²	42	73.6 Å²	73.6	26%	0.258	44%	0.443	S	S	.	.	H	α-helix	trans	-66.9	-40.1	-178.8	-7.6	0	0	0	0	111.8	N519 P520 L525 L526	N519-T522 PolarHBondContact O-N 3.37Å; N519-T522 PolarHBondContact O-OG1 3.34Å; P520-T522 VanDerWaalsContact C-N 3.33Å; P520-T522 PolarHBondContact O-N 2.92Å; T522-L525 WeakPolarHBondContact O-CB 3.48Å; T522-L525 PolarHBondContact O-N 3.2Å; T522-L526 WeakPolarHBondContact O-CG 3.42Å; T522-L526 PolarHBondContact O-N 3.04Å
523	M	43.2	Very low	39.3	Very low	24 Å²	24	66.6 Å²	66.6	12%	0.118	41%	0.409	C	S	.	.	H	α-helix	trans	-74.9	-37.3	177.6	-70.6	-68.9	-87.1	0	0	111.8	P520 L525 L526 A527 F566 Y641	P520-M523 PolarHBondContact O-N 3.22Å; M523-L525 VanDerWaalsContact C-N 3.29Å; M523-L525 PolarHBondContact O-N 3.48Å; M523-L526 PolarHBondContact O-N 3.06Å; M523-L526 HydrophobicContact SD-CD1 4.18Å; M523-A527 VanDerWaalsContact O-CB 3.26Å; M523-A527 WeakPolarHBondContact O-CB 3.17Å; M523-A527 PolarHBondContact O-N 3.29Å; M523-F566 HydrophobicContact CE-CZ 4.03Å; M523-Y641 HydrophobicContact CE-CE2 3.76Å; M523-Y641 WeakPolarHBondContact CE-OH 3.37Å
524	A	47.1	Very low	39.9	Very low	19 Å²	19	67 Å²	67	16%	0.157	40%	0.401	C	S	.	.	H	α-helix	trans	-61.5	-40	170.7	0	0	0	0	0	111.4	P520 N521 S528 C896	P520-A524 WeakPolarHBondContact O-CB 3.35Å; P520-A524 PolarHBondContact O-N 3.15Å; P520-A524 VanDerWaalsContact O-N 3.08Å; N521-A524 PolarHBondContact O-N 3.14Å; A524-S528 WeakPolarHBondContact O-CB 3.24Å; A524-S528 PolarHBondContact O-N 3.4Å; A524-C896 HydrophobicContact CB-CB 4.08Å
525	L	46.2	Very low	40.1	Very low	58 Å²	58	63 Å²	63	30%	0.304	39%	0.391	S	S	.	.	H	α-helix	trans	-63.2	-49.8	173.9	-118.5	155.3	0	0	0	111.6	L495 N521 T522 M523 A527 S528 L529	L495-L525 HydrophobicContact CD1-CD1 3.66Å; L495-L525 HydrophobicContact CD2-CD1 3.74Å; L495-L525 HydrophobicContact CG-CD1 4.32Å; N521-L525 WeakPolarHBondContact O-CB 3.07Å; N521-L525 PolarHBondContact O-N 3.44Å; T522-L525 WeakPolarHBondContact O-CB 3.48Å; T522-L525 PolarHBondContact O-N 3.2Å; M523-L525 VanDerWaalsContact C-N 3.29Å; M523-L525 PolarHBondContact O-N 3.48Å; L525-A527 VanDerWaalsContact C-N 3.32Å; L525-A527 PolarHBondContact O-N 2.63Å; L525-S528 CarbonylContact O-C 3.56Å; L525-S528 WeakPolarHBondContact O-CB 3.43Å; L525-S528 PolarHBondContact O-N 2.82Å; L525-S528 VanDerWaalsContact O-N 3.16Å; L525-L529 HydrophobicContact CB-CD1 4.43Å; L525-L529 HydrophobicContact CD2-CD1 3.39Å; L525-L529 HydrophobicContact CD2-CG 4Å; L525-L529 VanDerWaalsContact O-CB 3.31Å; L525-L529 WeakPolarHBondContact O-CB 3.41Å; L525-L529 WeakPolarHBondContact O-CD1 3.32Å; L525-L529 VanDerWaalsContact O-CG 3.24Å; L525-L529 WeakPolarHBondContact O-CG 3.4Å; L525-L529 PolarHBondContact O-N 3.26Å
526	L	43.6	Very low	40.3	Very low	8 Å²	8	65 Å²	65	4%	0.042	38%	0.381	C	S	.	.	H	α-helix	trans	-60	-43.8	177.7	-78.5	164.9	0	0	0	111.4	T522 M523 S528 L529 L530 L558 Q562	T522-L526 WeakPolarHBondContact O-CG 3.42Å; T522-L526 PolarHBondContact O-N 3.04Å; M523-L526 PolarHBondContact O-N 3.06Å; M523-L526 HydrophobicContact SD-CD1 4.18Å; L526-S528 PolarHBondContact O-N 3.25Å; L526-L529 PolarHBondContact O-N 3.42Å; L526-L530 VanDerWaalsContact O-CB 3.23Å; L526-L530 WeakPolarHBondContact O-CB 3.48Å; L526-L530 WeakPolarHBondContact O-CG 3.49Å; L526-L530 PolarHBondContact O-N 3.21Å; L526-L558 HydrophobicContact CD1-CD2 4.27Å; L526-L558 HydrophobicContact CD1-CG 4.35Å; L526-L558 HydrophobicContact CD2-CD2 3.75Å; L526-L558 HydrophobicContact CD2-CG 4.13Å; L526-L558 HydrophobicContact CG-CD2 3.99Å; L526-Q562 HydrophobicContact CD1-CG 3.68Å
527	A	48.7	Very low	40.5	Very low	18 Å²	18	65.2 Å²	65.2	15%	0.149	38%	0.378	C	S	.	.	H	α-helix	trans	-62.7	-42	175.3	0	0	0	0	0	111.5	M523 L525 N531 Y899	M523-A527 VanDerWaalsContact O-CB 3.26Å; M523-A527 WeakPolarHBondContact O-CB 3.17Å; M523-A527 PolarHBondContact O-N 3.29Å; L525-A527 VanDerWaalsContact C-N 3.32Å; L525-A527 PolarHBondContact O-N 2.63Å; A527-N531 PolarHBondContact O-N 3.04Å; A527-Y899 HydrophobicContact CB-CE2 3.58Å; A527-Y899 WeakPolarHBondContact CB-OH 3.22Å; A527-Y899 PolarHBondContact O-OH 2.86Å
528	S	47.8	Very low	40.1	Very low	50 Å²	50	66.9 Å²	66.9	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-44.5	173.8	-99.8	0	0	0	0	112.2	A524 L525 L526 N531 T532	A524-S528 WeakPolarHBondContact O-CB 3.24Å; A524-S528 PolarHBondContact O-N 3.4Å; L525-S528 CarbonylContact O-C 3.56Å; L525-S528 WeakPolarHBondContact O-CB 3.43Å; L525-S528 PolarHBondContact O-N 2.82Å; L525-S528 VanDerWaalsContact O-N 3.16Å; L526-S528 PolarHBondContact O-N 3.25Å; S528-N531 CarbonylContact O-C 3.56Å; S528-N531 PolarHBondContact O-N 3.34Å; S528-N531 VanDerWaalsContact O-N 3.13Å; S528-T532 WeakPolarHBondContact O-CG2 3.4Å; S528-T532 PolarHBondContact O-N 3.24Å; S528-T532 PolarHBondContact O-OG1 3.16Å
529	L	40.8	Very low	39.5	Very low	50 Å²	50	68.4 Å²	68.4	26%	0.262	40%	0.397	S	S	.	.	H	α-helix	trans	-67.5	-38.1	-177.8	-75.3	158.5	0	0	0	112.2	L525 L526 N531 T532 T533 L555	L525-L529 HydrophobicContact CB-CD1 4.43Å; L525-L529 HydrophobicContact CD2-CD1 3.39Å; L525-L529 HydrophobicContact CD2-CG 4Å; L525-L529 VanDerWaalsContact O-CB 3.31Å; L525-L529 WeakPolarHBondContact O-CB 3.41Å; L525-L529 WeakPolarHBondContact O-CD1 3.32Å; L525-L529 VanDerWaalsContact O-CG 3.24Å; L525-L529 WeakPolarHBondContact O-CG 3.4Å; L525-L529 PolarHBondContact O-N 3.26Å; L526-L529 PolarHBondContact O-N 3.42Å; L529-N531 VanDerWaalsContact C-N 3.25Å; L529-N531 PolarHBondContact O-N 2.91Å; L529-T532 VanDerWaalsContact CA-OG1 3.26Å; L529-T532 WeakPolarHBondContact CA-OG1 3.35Å; L529-T532 PolarHBondContact O-N 3.05Å; L529-T532 PolarHBondContact O-OG1 2.93Å; L529-T533 PolarHBondContact O-N 2.9Å; L529-L555 HydrophobicContact CB-CD2 4.14Å; L529-L555 HydrophobicContact CD1-CD2 3.42Å; L529-L555 VanDerWaalsContact CD1-CD2 3.42Å; L529-L555 HydrophobicContact CD2-CD1 4.49Å; L529-L555 HydrophobicContact CD2-CD2 4.09Å; L529-L555 HydrophobicContact CG-CD2 4.09Å
530	L	46.2	Very low	39.1	Very low	19 Å²	19	70.3 Å²	70.3	10%	0.099	41%	0.414	C	S	.	.	H	α-helix	trans	-66.7	-26.9	173.4	-72.8	174.1	0	0	0	112.4	L526 T533 L559 A638 Y641	L526-L530 VanDerWaalsContact O-CB 3.23Å; L526-L530 WeakPolarHBondContact O-CB 3.48Å; L526-L530 WeakPolarHBondContact O-CG 3.49Å; L526-L530 PolarHBondContact O-N 3.21Å; L530-T533 PolarHBondContact O-OG1 3.27Å; L530-T533 VanDerWaalsContact O-OG1 3.08Å; L530-L559 HydrophobicContact CD1-CD1 4.17Å; L530-L559 HydrophobicContact CD2-CD1 3.83Å; L530-L559 HydrophobicContact CG-CD1 4.34Å; L530-A638 HydrophobicContact CD1-CB 4.35Å; L530-A638 HydrophobicContact CD2-CB 3.39Å; L530-A638 HydrophobicContact CG-CB 4.41Å; L530-Y641 HydrophobicContact CD1-CD1 3.91Å; L530-Y641 HydrophobicContact CD1-CE1 4.28Å
531	N	42.5	Very low	38.5	Very low	77 Å²	77	72.2 Å²	72.2	41%	0.412	42%	0.424	S	S	.	.	H	α-helix	trans	-87	-30.1	173.3	-99.5	3.8	0	0	0	113.5	A527 S528 L529 T533 Q534 Y899	A527-N531 PolarHBondContact O-N 3.04Å; S528-N531 CarbonylContact O-C 3.56Å; S528-N531 PolarHBondContact O-N 3.34Å; S528-N531 VanDerWaalsContact O-N 3.13Å; L529-N531 VanDerWaalsContact C-N 3.25Å; L529-N531 PolarHBondContact O-N 2.91Å; N531-T533 PolarHBondContact O-N 3.41Å; N531-Q534 PolarHBondContact O-N 3.39Å; N531-Y899 PolarHBondContact ND2-OH 3.46Å
532	T	39.3	Very low	38.1	Very low	81 Å²	81	71.4 Å²	71.4	50%	0.497	42%	0.419	S	S	.	.	H	α-helix	trans	-69.8	-18.9	177.1	46.6	0	0	0	0	113.3	S528 L529 Q534	S528-T532 WeakPolarHBondContact O-CG2 3.4Å; S528-T532 PolarHBondContact O-N 3.24Å; S528-T532 PolarHBondContact O-OG1 3.16Å; L529-T532 VanDerWaalsContact CA-OG1 3.26Å; L529-T532 WeakPolarHBondContact CA-OG1 3.35Å; L529-T532 PolarHBondContact O-N 3.05Å; L529-T532 PolarHBondContact O-OG1 2.93Å; T532-Q534 PolarHBondContact O-N 3.26Å
533	T	35.5	Very low	37.2	Very low	42 Å²	42	77.3 Å²	77.3	26%	0.258	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.2	174.1	48.2	0	0	0	0	113.3	L529 L530 N531 L634	L529-T533 PolarHBondContact O-N 2.9Å; L530-T533 PolarHBondContact O-OG1 3.27Å; L530-T533 VanDerWaalsContact O-OG1 3.08Å; N531-T533 PolarHBondContact O-N 3.41Å; T533-L634 HydrophobicContact CG2-CD1 4.29Å
534	Q	37.7	Very low	36.7	Very low	97 Å²	97	78.3 Å²	78.3	45%	0.453	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.8	174.5	-66.8	-171	4.3	0	0	114	N531 T532	N531-Q534 PolarHBondContact O-N 3.39Å; T532-Q534 PolarHBondContact O-N 3.26Å
535	S	31	Very low	36	Very low	78 Å²	78	84 Å²	84	55%	0.545	49%	0.494	S	S	.	.			trans	-112.9	83.1	179	50.9	0	0	0	0	112.6	S537	S535-S537 PolarHBondContact O-N 3.31Å
536	Q	28.8	Very low	35.5	Very low	155 Å²	155	83.1 Å²	83.1	72%	0.724	49%	0.493	S	S	*	.			trans	-70.5	92.3	160.3	-72.8	-174.2	8	0	0	109.8
537	S	30	Very low	35.2	Very low	84 Å²	84	86.2 Å²	86.2	59%	0.587	51%	0.513	S	S	*	.	S	Bend	trans	-174.6	112	148.1	57.6	0	0	0	0	111.9	S535	S535-S537 PolarHBondContact O-N 3.31Å
538	N	25.7	Very low	34.6	Very low	164 Å²	164	90.6 Å²	90.6	88%	0.877	54%	0.54	S	S	*	.			trans	45.9	88.2	152.3	-61.2	-14.5	0	0	0	118.4
539	S	27.2	Very low	34.3	Very low	108 Å²	108	94.8 Å²	94.8	76%	0.755	55%	0.554	S	S	*	*			trans	-142.5	141.3	143.8	-85.7	0	0	0	0	109.8	V541	S539-V541 PolarHBondContact O-N 3.41Å; S539-V541 VanDerWaalsContact O-N 3.16Å
540	P	31.3	Very low	34.4	Very low	123 Å²	123	97.3 Å²	97.3	80%	0.799	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-67.1	118.2	-170.9	27.4	-32	0	0	0	109.4	I542	P540-I542 PolarHBondContact O-N 3.42Å
541	V	29.7	Very low	34.3	Very low	115 Å²	115	99.9 Å²	99.9	70%	0.697	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-56.6	121.8	168.1	175.7	0	0	0	0	107.4	S539 N543	S539-V541 PolarHBondContact O-N 3.41Å; S539-V541 VanDerWaalsContact O-N 3.16Å; V541-N543 PolarHBondContact O-N 3.33Å
542	I	31.9	Very low	34.6	Very low	88 Å²	88	99.2 Å²	99.2	45%	0.451	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-59.1	123.3	173.2	-66.1	170.4	0	0	0	107.3	C492 P540 T544	C492-I542 HydrophobicContact CB-CD1 4.02Å; P540-I542 PolarHBondContact O-N 3.42Å; I542-T544 PolarHBondContact O-N 2.9Å
543	N	27.3	Very low	35.4	Very low	165 Å²	165	100.2 Å²	100.2	88%	0.882	57%	0.571	S	S	*	*			trans	-48.5	97.4	172.7	-72.1	-19.3	0	0	0	110.2	V541	V541-N543 PolarHBondContact O-N 3.33Å
544	T	32	Very low	36.1	Very low	46 Å²	46	102.1 Å²	102.1	28%	0.282	58%	0.578	S	S	.	*			trans	-116.6	133.6	157	46.4	0	0	0	0	105	V496 I542 S546 Q551	V496-T544 HydrophobicContact CG2-CG2 3.78Å; I542-T544 PolarHBondContact O-N 2.9Å; T544-S546 PolarHBondContact O-N 3.18Å; T544-Q551 PolarHBondContact OG1-NE2 3.37Å
545	S	32.8	Very low	36.7	Very low	137 Å²	137	99.5 Å²	99.5	96%	0.958	57%	0.567	S	S	*	*	S	Bend	trans	-69.6	19.4	-176.1	53.2	0	0	0	0	113.7
546	S	35	Very low	37.6	Very low	40 Å²	40	100 Å²	100	28%	0.28	56%	0.558	S	S	.	*	S	Bend	trans	-94.6	137.5	174.3	49.8	0	0	0	0	109.9	T544 E550 Q551	T544-S546 PolarHBondContact O-N 3.18Å; S546-E550 WeakPolarHBondContact CA-OE2 3.1Å; S546-E550 WeakPolarHBondContact CB-OE2 3.18Å; S546-Q551 PolarHBondContact OG-NE2 3.45Å
547	T	37.2	Very low	38.8	Very low	73 Å²	73	96.7 Å²	96.7	45%	0.448	55%	0.545	S	S	.	.			trans	-63.9	150.6	176.6	59.7	0	0	0	0	109.4	Q549 E550 Q551	T547-Q549 PolarHBondContact O-N 3Å; T547-E550 PolarHBondContact N-OE2 2.92Å; T547-E550 VanDerWaalsContact N-OE2 3.12Å; T547-E550 PolarHBondContact O-N 3.02Å; T547-Q551 PolarHBondContact O-N 3.25Å
548	P	37.8	Very low	40	Very low	110 Å²	110	95.5 Å²	95.5	71%	0.714	53%	0.532	S	S	*	.	H	α-helix	trans	-50.8	-29	175.3	-26.1	32.8	0	0	0	113	H552	P548-H552 WeakPolarHBondContact O-CB 3.36Å; P548-H552 PolarHBondContact O-N 2.86Å
549	Q	39.8	Very low	41.3	Very low	139 Å²	139	88.5 Å²	88.5	65%	0.65	49%	0.494	S	S	*	.	H	α-helix	trans	-65.3	-41.6	175.5	-116.2	171.9	-22.7	0	0	113.6	T547 H552 I553	T547-Q549 PolarHBondContact O-N 3Å; Q549-H552 PolarHBondContact O-N 2.93Å; Q549-I553 WeakPolarHBondContact O-CG1 3.36Å; Q549-I553 PolarHBondContact O-N 3.38Å
550	E	44.1	Very low	42.4	Very low	102 Å²	102	85.4 Å²	85.4	48%	0.477	48%	0.475	S	S	.	.	H	α-helix	trans	-68.8	-42.3	-179.1	-76.4	171.4	157	0	0	112.3	S546 T547 H552 I553 M554	S546-E550 WeakPolarHBondContact CA-OE2 3.1Å; S546-E550 WeakPolarHBondContact CB-OE2 3.18Å; T547-E550 PolarHBondContact N-OE2 2.92Å; T547-E550 VanDerWaalsContact N-OE2 3.12Å; T547-E550 PolarHBondContact O-N 3.02Å; E550-H552 PolarHBondContact O-N 3.38Å; E550-I553 PolarHBondContact O-N 3.12Å; E550-M554 PolarHBondContact O-N 3.39Å; E550-M554 VanDerWaalsContact O-N 3.15Å
551	Q	44.3	Very low	43.4	Very low	74 Å²	74	84.6 Å²	84.6	35%	0.346	46%	0.464	S	S	.	.	H	α-helix	trans	-60.4	-36.6	175.7	-64.5	-176.6	-12.7	0	0	111.4	T544 S546 T547 M554 L555	T544-Q551 PolarHBondContact OG1-NE2 3.37Å; S546-Q551 PolarHBondContact OG-NE2 3.45Å; T547-Q551 PolarHBondContact O-N 3.25Å; Q551-M554 WeakPolarHBondContact O-CB 3.36Å; Q551-M554 PolarHBondContact O-N 3.36Å; Q551-L555 WeakPolarHBondContact O-CG 3.16Å; Q551-L555 PolarHBondContact O-N 3.44Å; Q551-L555 VanDerWaalsContact O-N 3.13Å
552	H	48.2	Very low	44.4	Very low	63 Å²	63	80.4 Å²	80.4	29%	0.292	44%	0.437	S	S	.	.	H	α-helix	trans	-73.5	-38.2	-179.3	-143.7	-96.8	0	0	0	113	P548 Q549 E550 M554 L555 Y556 L634	P548-H552 WeakPolarHBondContact O-CB 3.36Å; P548-H552 PolarHBondContact O-N 2.86Å; Q549-H552 PolarHBondContact O-N 2.93Å; E550-H552 PolarHBondContact O-N 3.38Å; H552-M554 VanDerWaalsContact C-N 3.26Å; H552-M554 PolarHBondContact O-N 3.23Å; H552-L555 PolarHBondContact O-N 3.42Å; H552-Y556 PolarHBondContact O-N 3.31Å; H552-L634 WeakPolarHBondContact CE1-CD1 3.23Å; H552-L634 VanDerWaalsContact CE1-CG 3.49Å; H552-L634 WeakPolarHBondContact CE1-CG 3.47Å; H552-L634 WeakPolarHBondContact NE2-CD1 3.35Å
553	I	56.9	Low	45.2	Very low	101 Å²	101	78 Å²	78	52%	0.518	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-40	173.1	-70.3	165.6	0	0	0	110.3	Q549 E550 Y556 N557	Q549-I553 WeakPolarHBondContact O-CG1 3.36Å; Q549-I553 PolarHBondContact O-N 3.38Å; E550-I553 PolarHBondContact O-N 3.12Å; I553-Y556 PolarHBondContact O-N 3.13Å; I553-N557 PolarHBondContact O-N 3.46Å; I553-N557 PolarHBondContact O-ND2 3.1Å
554	M	49.2	Very low	46.1	Very low	82 Å²	82	73.1 Å²	73.1	40%	0.404	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-41.9	178.3	-156.2	-172.7	-65.3	0	0	112.1	I499 E550 Q551 H552 N557 L558	I499-M554 HydrophobicContact CB-SD 4.23Å; I499-M554 HydrophobicContact CD1-SD 3.85Å; I499-M554 HydrophobicContact CG1-SD 4.02Å; I499-M554 HydrophobicContact CG2-CE 3.31Å; I499-M554 HydrophobicContact CG2-SD 3.22Å; I499-M554 WeakPolarHBondContact CG2-SD 3.43Å; E550-M554 PolarHBondContact O-N 3.39Å; E550-M554 VanDerWaalsContact O-N 3.15Å; Q551-M554 WeakPolarHBondContact O-CB 3.36Å; Q551-M554 PolarHBondContact O-N 3.36Å; H552-M554 VanDerWaalsContact C-N 3.26Å; H552-M554 PolarHBondContact O-N 3.23Å; M554-N557 PolarHBondContact O-N 2.96Å; M554-L558 WeakPolarHBondContact O-CB 3.47Å; M554-L558 PolarHBondContact O-N 2.99Å
555	L	50.9	Low	46.8	Very low	43 Å²	43	72.9 Å²	72.9	23%	0.225	40%	0.404	C	S	.	.	H	α-helix	trans	-61.8	-44.2	173.5	-76.3	167	0	0	0	112.3	L529 Q551 H552 L558 L559	L529-L555 HydrophobicContact CB-CD2 4.14Å; L529-L555 HydrophobicContact CD1-CD2 3.42Å; L529-L555 VanDerWaalsContact CD1-CD2 3.42Å; L529-L555 HydrophobicContact CD2-CD1 4.49Å; L529-L555 HydrophobicContact CD2-CD2 4.09Å; L529-L555 HydrophobicContact CG-CD2 4.09Å; Q551-L555 WeakPolarHBondContact O-CG 3.16Å; Q551-L555 PolarHBondContact O-N 3.44Å; Q551-L555 VanDerWaalsContact O-N 3.13Å; H552-L555 PolarHBondContact O-N 3.42Å; L555-L558 PolarHBondContact O-N 3.21Å; L555-L559 WeakPolarHBondContact O-CB 3.37Å; L555-L559 PolarHBondContact O-N 3.38Å
556	Y	48.9	Very low	47	Very low	89 Å²	89	68.4 Å²	68.4	35%	0.349	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-47.9	177.2	-178.2	-87	0	0	0	111.4	H552 I553 L558 L559 A560 Q590 L637	H552-Y556 PolarHBondContact O-N 3.31Å; I553-Y556 PolarHBondContact O-N 3.13Å; Y556-L558 PolarHBondContact O-N 3.21Å; Y556-L559 PolarHBondContact O-N 2.61Å; Y556-A560 VanDerWaalsContact O-CB 3.32Å; Y556-A560 WeakPolarHBondContact O-CB 3.47Å; Y556-A560 PolarHBondContact O-N 3.44Å; Y556-Q590 PolarHBondContact OH-NE2 2.86Å; Y556-L637 HydrophobicContact CD2-CD1 3.77Å; Y556-L637 HydrophobicContact CE2-CD1 3.56Å
557	N	54.7	Low	47.1	Very low	84 Å²	84	72.8 Å²	72.8	45%	0.449	38%	0.383	S	S	.	.	H	α-helix	trans	-65.1	-39.1	178.8	-72.4	-26.4	0	0	0	112.3	I553 M554 N561	I553-N557 PolarHBondContact O-N 3.46Å; I553-N557 PolarHBondContact O-ND2 3.1Å; M554-N557 PolarHBondContact O-N 2.96Å; N557-N561 WeakPolarHBondContact O-CB 3.34Å; N557-N561 VanDerWaalsContact O-CG 3.3Å; N557-N561 PolarHBondContact O-N 3.32Å; N557-N561 PolarHBondContact O-ND2 3.32Å
558	L	54.2	Low	47.2	Very low	60 Å²	60	74.1 Å²	74.1	31%	0.314	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-45.5	177.5	-169.8	68.5	0	0	0	111.2	L526 M554 L555 Y556 N561 Q562	L526-L558 HydrophobicContact CD1-CD2 4.27Å; L526-L558 HydrophobicContact CD1-CG 4.35Å; L526-L558 HydrophobicContact CD2-CD2 3.75Å; L526-L558 HydrophobicContact CD2-CG 4.13Å; L526-L558 HydrophobicContact CG-CD2 3.99Å; M554-L558 WeakPolarHBondContact O-CB 3.47Å; M554-L558 PolarHBondContact O-N 2.99Å; L555-L558 PolarHBondContact O-N 3.21Å; Y556-L558 PolarHBondContact O-N 3.21Å; L558-N561 PolarHBondContact O-N 3.36Å; L558-Q562 VanDerWaalsContact O-CG 3.23Å; L558-Q562 WeakPolarHBondContact O-CG 3.33Å; L558-Q562 PolarHBondContact O-N 3.37Å
559	L	53.7	Low	47.2	Very low	17 Å²	17	73.2 Å²	73.2	9%	0.089	38%	0.384	C	S	.	.	H	α-helix	trans	-66.2	-40.5	179	-162.1	122.9	0	0	0	111.8	L530 L555 Y556 Q562 L563 L637	L530-L559 HydrophobicContact CD1-CD1 4.17Å; L530-L559 HydrophobicContact CD2-CD1 3.83Å; L530-L559 HydrophobicContact CG-CD1 4.34Å; L555-L559 WeakPolarHBondContact O-CB 3.37Å; L555-L559 PolarHBondContact O-N 3.38Å; Y556-L559 PolarHBondContact O-N 2.61Å; L559-Q562 PolarHBondContact O-N 2.91Å; L559-L563 HydrophobicContact CD2-CD1 3.8Å; L559-L563 WeakPolarHBondContact O-CB 3.42Å; L559-L563 WeakPolarHBondContact O-CG 3.3Å; L559-L563 PolarHBondContact O-N 3.07Å; L559-L637 HydrophobicContact CD2-CB 3.82Å
560	A	50	Low	46.9	Very low	42 Å²	42	69.3 Å²	69.3	35%	0.347	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-42.7	174.7	0	0	0	0	0	112.3	Y556 L563 S564	Y556-A560 VanDerWaalsContact O-CB 3.32Å; Y556-A560 WeakPolarHBondContact O-CB 3.47Å; Y556-A560 PolarHBondContact O-N 3.44Å; A560-L563 PolarHBondContact O-N 2.97Å; A560-S564 PolarHBondContact O-N 3.39Å
561	N	53.2	Low	46.6	Very low	106 Å²	106	67.8 Å²	67.8	57%	0.567	38%	0.378	S	S	*	.	H	α-helix	trans	-64.4	-41.6	176.7	-78.5	-17.9	0	0	0	111.8	N557 L558 S564 S565	N557-N561 WeakPolarHBondContact O-CB 3.34Å; N557-N561 VanDerWaalsContact O-CG 3.3Å; N557-N561 PolarHBondContact O-N 3.32Å; N557-N561 PolarHBondContact O-ND2 3.32Å; L558-N561 PolarHBondContact O-N 3.36Å; N561-S564 PolarHBondContact O-N 3.39Å; N561-S564 PolarHBondContact O-OG 2.85Å; N561-S565 PolarHBondContact O-N 2.85Å
562	Q	51.1	Low	46.5	Very low	27 Å²	27	65.4 Å²	65.4	13%	0.126	37%	0.368	C	S	.	.	H	α-helix	trans	-66.1	-41.6	177.3	-66.6	-70.7	-27.4	0	0	112.1	L526 L558 L559 S564 S565 F566	L526-Q562 HydrophobicContact CD1-CG 3.68Å; L558-Q562 VanDerWaalsContact O-CG 3.23Å; L558-Q562 WeakPolarHBondContact O-CG 3.33Å; L558-Q562 PolarHBondContact O-N 3.37Å; L559-Q562 PolarHBondContact O-N 2.91Å; Q562-S564 VanDerWaalsContact C-N 3.26Å; Q562-S564 PolarHBondContact O-N 3.43Å; Q562-S565 WeakPolarHBondContact CA-OG 3.49Å; Q562-S565 PolarHBondContact O-N 3.31Å; Q562-S565 PolarHBondContact O-OG 3.36Å; Q562-F566 WeakPolarHBondContact O-CD2 3.44Å; Q562-F566 PolarHBondContact O-N 3.14Å
563	L	48.4	Very low	45.9	Very low	38 Å²	38	66.8 Å²	66.8	20%	0.199	38%	0.377	C	S	.	.	H	α-helix	trans	-61.5	-35.2	173.1	-75.2	166.8	0	0	0	111.9	L559 A560	L559-L563 HydrophobicContact CD2-CD1 3.8Å; L559-L563 WeakPolarHBondContact O-CB 3.42Å; L559-L563 WeakPolarHBondContact O-CG 3.3Å; L559-L563 PolarHBondContact O-N 3.07Å; A560-L563 PolarHBondContact O-N 2.97Å
564	S	45.2	Very low	45.2	Very low	63 Å²	63	67 Å²	67	44%	0.441	38%	0.379	S	S	.	.	H	α-helix	trans	-70.5	-35.2	175.4	77.7	0	0	0	0	113.1	A560 N561 Q562 F566 Q567	A560-S564 PolarHBondContact O-N 3.39Å; N561-S564 PolarHBondContact O-N 3.39Å; N561-S564 PolarHBondContact O-OG 2.85Å; Q562-S564 VanDerWaalsContact C-N 3.26Å; Q562-S564 PolarHBondContact O-N 3.43Å; S564-F566 VanDerWaalsContact C-N 3.31Å; S564-F566 PolarHBondContact O-N 3.2Å; S564-Q567 WeakPolarHBondContact O-CB 3.44Å; S564-Q567 PolarHBondContact O-N 3.13Å
565	S	46.7	Very low	44.8	Very low	41 Å²	41	69.5 Å²	69.5	29%	0.287	40%	0.395	S	S	.	.	H	α-helix	trans	-70.5	-25	176.1	56.4	0	0	0	0	113.3	N561 Q562 Q567 S568	N561-S565 PolarHBondContact O-N 2.85Å; Q562-S565 WeakPolarHBondContact CA-OG 3.49Å; Q562-S565 PolarHBondContact O-N 3.31Å; Q562-S565 PolarHBondContact O-OG 3.36Å; S565-Q567 PolarHBondContact O-N 3.08Å; S565-S568 PolarHBondContact O-N 2.8Å; S565-S568 PolarHBondContact O-OG 3.49Å
566	F	38.6	Very low	44.3	Very low	43 Å²	43	69.4 Å²	69.4	19%	0.189	40%	0.395	C	S	.	.	H	α-helix	trans	-69.4	-21	172.5	-77.1	-66.7	0	0	0	113.2	M523 Q562 S564 S568 D569 V572 Y641 L644	M523-F566 HydrophobicContact CE-CZ 4.03Å; Q562-F566 WeakPolarHBondContact O-CD2 3.44Å; Q562-F566 PolarHBondContact O-N 3.14Å; S564-F566 VanDerWaalsContact C-N 3.31Å; S564-F566 PolarHBondContact O-N 3.2Å; F566-S568 PolarHBondContact O-N 2.83Å; F566-D569 PolarHBondContact O-N 3.3Å; F566-V572 HydrophobicContact CD1-CG2 4.47Å; F566-Y641 HydrophobicContact CE2-CD2 4.3Å; F566-Y641 HydrophobicContact CE2-CE2 4.2Å; F566-Y641 HydrophobicContact CZ-CE2 4.31Å; F566-L644 HydrophobicContact CD1-CD2 4.3Å; F566-L644 HydrophobicContact CE1-CD2 4.29Å
567	Q	36	Very low	43.8	Very low	132 Å²	132	70.2 Å²	70.2	62%	0.617	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.8	174.9	-65.4	-177.8	-8.7	0	0	112.9	S564 S565 D569	S564-Q567 WeakPolarHBondContact O-CB 3.44Å; S564-Q567 PolarHBondContact O-N 3.13Å; S565-Q567 PolarHBondContact O-N 3.08Å; Q567-D569 VanDerWaalsContact C-N 3.32Å
568	S	38.8	Very low	43.2	Very low	101 Å²	101	70.6 Å²	70.6	71%	0.706	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.9	175.7	34.1	0	0	0	0	114.3	S565 F566	S565-S568 PolarHBondContact O-N 2.8Å; S565-S568 PolarHBondContact O-OG 3.49Å; F566-S568 PolarHBondContact O-N 2.83Å
569	D	37.5	Very low	42.5	Very low	90 Å²	90	69.4 Å²	69.4	48%	0.481	40%	0.404	S	S	.	.			trans	-91.4	109.4	179.9	-115.5	-28.6	0	0	0	111.2	F566 Q567 A571 V572	F566-D569 PolarHBondContact O-N 3.3Å; Q567-D569 VanDerWaalsContact C-N 3.32Å; D569-A571 PolarHBondContact O-N 3.1Å; D569-A571 VanDerWaalsContact O-N 3.08Å; D569-V572 HydrophobicContact CB-CG2 4Å; D569-V572 PolarHBondContact O-N 2.92Å
570	S	35.5	Very low	41.7	Very low	57 Å²	57	71.4 Å²	71.4	40%	0.399	42%	0.42	S	S	.	.	H	α-helix	trans	-54.6	-27	176.3	46.5	0	0	0	0	113.3	E379 V572 N574	E379-S570 WeakPolarHBondContact OE1-CB 3.43Å; E379-S570 WeakPolarHBondContact OE2-CB 3.11Å; S570-V572 VanDerWaalsContact C-N 3.3Å; S570-V572 PolarHBondContact O-N 2.97Å; S570-N574 PolarHBondContact O-ND2 3.48Å
571	A	37.1	Very low	41.3	Very low	71 Å²	71	76 Å²	76	59%	0.587	43%	0.434	S	S	*	.	H	α-helix	trans	-68.8	-25.5	177.6	0	0	0	0	0	113.5	D569	D569-A571 PolarHBondContact O-N 3.1Å; D569-A571 VanDerWaalsContact O-N 3.08Å
572	V	42.1	Very low	40.5	Very low	24 Å²	24	75.8 Å²	75.8	15%	0.145	43%	0.432	C	S	.	.	H	α-helix	trans	-83.9	-30.8	-178.1	-179.6	0	0	0	0	111.5	F566 D569 S570	F566-V572 HydrophobicContact CD1-CG2 4.47Å; D569-V572 HydrophobicContact CB-CG2 4Å; D569-V572 PolarHBondContact O-N 2.92Å; S570-V572 VanDerWaalsContact C-N 3.3Å; S570-V572 PolarHBondContact O-N 2.97Å
573	N	35.9	Very low	39.9	Very low	91 Å²	91	77.4 Å²	77.4	49%	0.487	44%	0.442	S	S	.	.	H	α-helix	trans	-73.8	-29.4	-174.8	-117.4	-6.6	0	0	0	113.6
574	N	40.9	Very low	39.5	Very low	105 Å²	105	82.6 Å²	82.6	56%	0.561	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-16	-173.4	-70.2	-40.1	0	0	0	114.5	E379 S570	E379-N574 PolarHBondContact OE1-ND2 3.42Å; S570-N574 PolarHBondContact O-ND2 3.48Å
575	N	41.5	Very low	39.2	Very low	135 Å²	135	86.1 Å²	86.1	72%	0.722	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	-3.1	-175.4	-69.2	-26.2	0	0	0	114.4
576	N	39.8	Very low	38.9	Very low	42 Å²	42	89.3 Å²	89.3	23%	0.225	48%	0.48	C	S	.	.			trans	-140.5	65.6	-171.8	-76.8	-45.9	0	0	0	113.5	N578 I579	N576-N578 PolarHBondContact O-N 3.27Å; N576-I579 HydrophobicContact CB-CB 4.27Å; N576-I579 HydrophobicContact CB-CD1 3.77Å; N576-I579 HydrophobicContact CB-CG1 3.92Å; N576-I579 PolarHBondContact O-N 2.76Å
577	T	38.7	Very low	38.9	Very low	106 Å²	106	90.1 Å²	90.1	65%	0.65	50%	0.495	S	S	*	.	H	α-helix	trans	-53.3	-27.1	169.8	48.6	0	0	0	0	113.1
578	N	41.9	Very low	38.8	Very low	91 Å²	91	87.7 Å²	87.7	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-69.8	-27.5	178	-68.4	-41.8	0	0	0	114.4	N576 L582	N576-N578 PolarHBondContact O-N 3.27Å; N578-L582 PolarHBondContact O-N 2.79Å
579	I	40.7	Very low	39.1	Very low	35 Å²	35	90.4 Å²	90.4	18%	0.179	49%	0.491	C	S	.	.	H	α-helix	trans	-76.6	-40.6	-178.1	-65.7	179.6	0	0	0	110.1	N576 Q581 L582 L583	N576-I579 HydrophobicContact CB-CB 4.27Å; N576-I579 HydrophobicContact CB-CD1 3.77Å; N576-I579 HydrophobicContact CB-CG1 3.92Å; N576-I579 PolarHBondContact O-N 2.76Å; I579-Q581 VanDerWaalsContact C-N 3.35Å; I579-Q581 PolarHBondContact O-N 3.16Å; I579-L582 PolarHBondContact O-N 3.28Å; I579-L583 HydrophobicContact CG2-CD1 3.98Å; I579-L583 WeakPolarHBondContact O-CG 3.46Å; I579-L583 PolarHBondContact O-N 2.82Å; I579-L583 VanDerWaalsContact O-N 3.14Å
580	S	37.3	Very low	39.3	Very low	60 Å²	60	91.1 Å²	91.1	42%	0.42	49%	0.492	S	S	.	.	H	α-helix	trans	-63.7	-37.5	177.4	-61	0	0	0	0	112.6	H584	S580-H584 WeakPolarHBondContact O-CB 3.42Å; S580-H584 PolarHBondContact O-N 3.02Å; S580-H584 VanDerWaalsContact O-N 3.15Å
581	Q	40.7	Very low	39.3	Very low	139 Å²	139	98.7 Å²	98.7	65%	0.65	51%	0.511	S	S	*	.	H	α-helix	trans	-65.8	-45.1	174.6	-91.8	-177.2	-27.8	0	0	113	I579 L583 H584 E585	I579-Q581 VanDerWaalsContact C-N 3.35Å; I579-Q581 PolarHBondContact O-N 3.16Å; Q581-L583 VanDerWaalsContact C-N 3.32Å; Q581-L583 PolarHBondContact O-N 2.87Å; Q581-H584 PolarHBondContact O-N 2.8Å; Q581-E585 PolarHBondContact O-N 3.35Å; Q581-E585 VanDerWaalsContact O-N 3.12Å
582	L	37.4	Very low	39.2	Very low	100 Å²	100	103.5 Å²	103.5	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-65	-35.2	-178.9	-79.2	167.8	0	0	0	112.8	N578 I579	N578-L582 PolarHBondContact O-N 2.79Å; I579-L582 PolarHBondContact O-N 3.28Å
583	L	36.7	Very low	39.2	Very low	61 Å²	61	106.6 Å²	106.6	32%	0.319	54%	0.541	S	S	.	.	H	α-helix	trans	-72.5	-37.3	176.1	-67.9	173.3	0	0	0	111.8	I579 Q581 E585 R586 A587	I579-L583 HydrophobicContact CG2-CD1 3.98Å; I579-L583 WeakPolarHBondContact O-CG 3.46Å; I579-L583 PolarHBondContact O-N 2.82Å; I579-L583 VanDerWaalsContact O-N 3.14Å; Q581-L583 VanDerWaalsContact C-N 3.32Å; Q581-L583 PolarHBondContact O-N 2.87Å; L583-E585 PolarHBondContact O-N 2.75Å; L583-R586 PolarHBondContact O-N 2.82Å; L583-A587 PolarHBondContact O-N 2.92Å
584	H	39.8	Very low	39.3	Very low	148 Å²	148	106 Å²	106	69%	0.685	54%	0.544	S	S	*	.	H	α-helix	trans	-68.3	-33.4	179.5	-151.1	-59.7	0	0	0	112.7	S580 Q581 R586 S588	S580-H584 WeakPolarHBondContact O-CB 3.42Å; S580-H584 PolarHBondContact O-N 3.02Å; S580-H584 VanDerWaalsContact O-N 3.15Å; Q581-H584 PolarHBondContact O-N 2.8Å; H584-R586 VanDerWaalsContact C-N 3.35Å; H584-S588 PolarHBondContact O-OG 3.36Å
585	E	40.6	Very low	39	Very low	136 Å²	136	107.4 Å²	107.4	64%	0.636	55%	0.55	S	S	*	*	H	α-helix	trans	-70	-29.6	177.3	-123.2	179.6	171.3	0	0	113	Q581 L583 S588	Q581-E585 PolarHBondContact O-N 3.35Å; Q581-E585 VanDerWaalsContact O-N 3.12Å; L583-E585 PolarHBondContact O-N 2.75Å; E585-S588 PolarHBondContact O-OG 3.4Å
586	R	39.8	Very low	38.7	Very low	109 Å²	109	107.5 Å²	107.5	41%	0.411	55%	0.55	S	S	.	*	H	α-helix	trans	-84.3	-30.1	-179.7	-141.4	170.7	-170	125.6	1.2	112.6	L583 H584 S588 K589 Q590	L583-R586 PolarHBondContact O-N 2.82Å; H584-R586 VanDerWaalsContact C-N 3.35Å; R586-S588 PolarHBondContact O-N 3.33Å; R586-K589 PolarHBondContact O-N 3.31Å; R586-K589 VanDerWaalsContact O-N 3.09Å; R586-Q590 PolarHBondContact O-N 2.94Å
587	A	37.5	Very low	38.6	Very low	60 Å²	60	111.6 Å²	111.6	50%	0.496	57%	0.572	S	S	.	*	H	α-helix	trans	-60.2	-34	171	0	0	0	0	0	112.3	L583	L583-A587 PolarHBondContact O-N 2.92Å
588	S	35.7	Very low	38.4	Very low	81 Å²	81	110.4 Å²	110.4	57%	0.566	57%	0.568	S	S	*	*	H	α-helix	trans	-70	-28.5	173.9	32.7	0	0	0	0	114.2	H584 E585 R586	H584-S588 PolarHBondContact O-OG 3.36Å; E585-S588 PolarHBondContact O-OG 3.4Å; R586-S588 PolarHBondContact O-N 3.33Å
589	K	44.4	Very low	38	Very low	157 Å²	157	113.8 Å²	113.8	68%	0.683	58%	0.583	S	S	*	*	H	α-helix	trans	-84.8	-22.1	179.7	-75.8	-177.9	176.8	176.3	0	113.8	R586 R591 E592	R586-K589 PolarHBondContact O-N 3.31Å; R586-K589 VanDerWaalsContact O-N 3.09Å; K589-R591 PolarHBondContact O-N 2.59Å; K589-E592 PolarHBondContact O-N 3.16Å
590	Q	41.8	Very low	38	Very low	105 Å²	105	119.3 Å²	119.3	49%	0.491	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.9	-11.6	179.5	-84.9	-174.2	-21.9	0	0	115	Y556 R586 E592 T593	Y556-Q590 PolarHBondContact OH-NE2 2.86Å; R586-Q590 PolarHBondContact O-N 2.94Å; Q590-E592 VanDerWaalsContact C-N 3.3Å; Q590-E592 PolarHBondContact O-N 3.31Å; Q590-T593 PolarHBondContact O-OG1 3.16Å
591	R	35.3	Very low	37.9	Very low	216 Å²	216	123.8 Å²	123.8	82%	0.815	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-25.3	173.9	-86.6	-174.8	-175.9	171.2	3.1	113.4	K589 S594	K589-R591 PolarHBondContact O-N 2.59Å; R591-S594 PolarHBondContact O-OG 2.94Å
592	E	35.3	Very low	37.5	Very low	172 Å²	172	126.3 Å²	126.3	80%	0.804	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-21.8	-176.8	-71.7	-175.9	156.4	0	0	114.1	K589 Q590 S594	K589-E592 PolarHBondContact O-N 3.16Å; Q590-E592 VanDerWaalsContact C-N 3.3Å; Q590-E592 PolarHBondContact O-N 3.31Å; E592-S594 VanDerWaalsContact C-N 3.33Å; E592-S594 PolarHBondContact O-N 3.02Å
593	T	41.2	Very low	37.2	Very low	90 Å²	90	127.1 Å²	127.1	55%	0.552	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-84.1	-5.8	178.6	48.2	0	0	0	0	114.2	Q590 L595	Q590-T593 PolarHBondContact O-OG1 3.16Å; T593-L595 VanDerWaalsContact C-N 3.27Å; T593-L595 PolarHBondContact O-N 3.23Å
594	S	38.8	Very low	36.9	Very low	77 Å²	77	133.3 Å²	133.3	54%	0.538	68%	0.681	S	S	.	*	G	3₁₀ helix	trans	-70.1	-12.7	-178.4	65.5	0	0	0	0	115.3	R591 E592	R591-S594 PolarHBondContact O-OG 2.94Å; E592-S594 VanDerWaalsContact C-N 3.33Å; E592-S594 PolarHBondContact O-N 3.02Å
595	L	33.8	Very low	36.4	Very low	135 Å²	135	132.4 Å²	132.4	71%	0.707	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-85.2	-27.2	179.3	-73.3	173.8	0	0	0	114.2	T593 S598	T593-L595 VanDerWaalsContact C-N 3.27Å; T593-L595 PolarHBondContact O-N 3.23Å; L595-S598 PolarHBondContact O-OG 2.91Å
596	L	36.3	Very low	36	Very low	138 Å²	138	135.8 Å²	135.8	72%	0.723	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-76.4	-31	-177.5	-88.1	159.8	0	0	0	113.3	S598 M599	L596-S598 PolarHBondContact O-N 3.25Å; L596-M599 PolarHBondContact O-N 3.09Å
597	N	37.1	Very low	35.7	Very low	127 Å²	127	133.8 Å²	133.8	68%	0.679	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-72.7	-11.2	177.4	-75	-19.4	0	0	0	113.8
598	S	35.2	Very low	35.5	Very low	81 Å²	81	138.6 Å²	138.6	57%	0.566	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-82.2	-17.6	176.9	73.1	0	0	0	0	114.2	L595 L596	L595-S598 PolarHBondContact O-OG 2.91Å; L596-S598 PolarHBondContact O-N 3.25Å
599	M	33.2	Very low	35.4	Very low	162 Å²	162	142.1 Å²	142.1	80%	0.798	75%	0.748	S	S	*	*	S	Bend	trans	-90.1	-15.1	-179.2	-72.1	-169.2	177.9	0	0	114	L596	L596-M599 PolarHBondContact O-N 3.09Å
600	L	39.7	Very low	35.1	Very low	151 Å²	151	141.8 Å²	141.8	79%	0.791	75%	0.753	S	S	*	*	S	Bend	trans	-90.5	-3.7	-173.6	-133.6	87	0	0	0	114.9
601	L	35.1	Very low	34.9	Very low	154 Å²	154	141.9 Å²	141.9	81%	0.806	77%	0.765	S	S	*	*	S	Bend	trans	-106.2	23.1	-172.5	-91.7	155.4	0	0	0	115
602	K	33.5	Very low	35.2	Very low	193 Å²	193	137.5 Å²	137.5	84%	0.839	76%	0.764	S	S	*	*			trans	-140.5	81.6	176.8	-74	-177.2	177.9	176.9	0	113
603	S	31.2	Very low	35.1	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	76%	0.763	S	S	*	*			trans	173.3	107.6	142.9	57.6	0	0	0	0	111.4
604	E	29.2	Very low	35.3	Very low	192 Å²	192	136.4 Å²	136.4	90%	0.897	78%	0.776	S	S	*	*			trans	-169.7	148	143.5	-108.1	167.8	-176.6	0	0	109.3
605	C	30.4	Very low	35.2	Very low	128 Å²	128	138.2 Å²	138.2	87%	0.865	79%	0.786	S	S	*	*			trans	101.8	73.7	-176.1	-50.4	0	0	0	0	116.9
606	Q	32.4	Very low	35.3	Very low	207 Å²	207	136.9 Å²	136.9	97%	0.967	79%	0.788	S	S	*	*			trans	-153.2	113.9	142.4	-112.6	167	16.3	0	0	109
607	G	32.5	Very low	35.2	Very low	68 Å²	68	135.4 Å²	135.4	70%	0.701	79%	0.79	S	S	*	*			trans	-106.7	159.4	177.1	0	0	0	0	0	112.1
608	D	32.8	Very low	35.2	Very low	160 Å²	160	135.5 Å²	135.5	86%	0.856	80%	0.8	S	S	*	*			trans	76.9	97.3	165.6	-55.3	-23	0	0	0	118.5
609	N	35.3	Very low	35.3	Very low	155 Å²	155	141.4 Å²	141.4	83%	0.829	82%	0.819	S	S	*	*			trans	-156.5	128.3	141.1	-102.7	-40.3	0	0	0	112.4
610	I	38	Very low	35.2	Very low	150 Å²	150	145 Å²	145	77%	0.769	82%	0.823	S	S	*	*			trans	86.5	109.5	147	-53.7	159.1	0	0	0	118.8
611	S	36.7	Very low	34.9	Very low	108 Å²	108	148.5 Å²	148.5	76%	0.755	83%	0.826	S	S	*	*			trans	42	130.6	137.6	-152.2	0	0	0	0	120.7
612	P	42.1	Very low	34.7	Very low	123 Å²	123	149.6 Å²	149.6	80%	0.799	83%	0.827	S	S	*	*			trans	-89.4	125.4	-164.3	35	-32.3	0	0	0	113.7
613	S	32.5	Very low	34.5	Very low	111 Å²	111	150.5 Å²	150.5	78%	0.776	83%	0.827	S	S	*	*			trans	-176.2	126.6	136.2	48.1	0	0	0	0	109.1
614	P	44.9	Very low	34.5	Very low	128 Å²	128	151.1 Å²	151.1	83%	0.831	83%	0.826	S	S	*	*			trans	-147.8	144.8	142.2	33.5	-16.7	0	0	0	114.3
615	P	38.2	Very low	34.8	Very low	115 Å²	115	149.8 Å²	149.8	75%	0.747	82%	0.824	S	S	*	*			trans	-107.9	151.1	146.6	34.1	-23.8	0	0	0	112.3
616	S	34.2	Very low	35.1	Very low	107 Å²	107	147.2 Å²	147.2	75%	0.748	81%	0.808	S	S	*	*			trans	67.7	122.4	150.6	57.9	0	0	0	0	122.6
617	S	35.2	Very low	35.7	Very low	108 Å²	108	144 Å²	144	76%	0.755	80%	0.797	S	S	*	*			trans	66.2	109.2	141.5	62.3	0	0	0	0	120.4
618	S	38.1	Very low	36.2	Very low	129 Å²	129	144.5 Å²	144.5	90%	0.902	79%	0.79	S	S	*	*			trans	-163.7	132.9	139.3	-81.7	0	0	0	0	110.9
619	Q	35.6	Very low	36.9	Very low	205 Å²	205	139.7 Å²	139.7	96%	0.958	77%	0.769	S	S	*	*			trans	-63.7	133.5	-174.5	-68	167.8	-21.5	0	0	113.1
620	R	32.6	Very low	37.2	Very low	236 Å²	236	136.1 Å²	136.1	89%	0.891	75%	0.749	S	S	*	*			trans	-122.9	117.9	163.7	-166.2	-179.8	-132.4	-131	3.8	108.4	Q622	R620-Q622 PolarHBondContact O-N 3.31Å
621	R	32	Very low	37.8	Very low	226 Å²	226	131 Å²	131	85%	0.853	73%	0.725	S	S	*	*			trans	-62.4	119.6	175.8	-70.3	-176.4	-173.8	-169.9	1.5	109.7
622	Q	31.1	Very low	38.8	Very low	177 Å²	177	131.8 Å²	131.8	83%	0.827	72%	0.717	S	S	*	*			trans	-93.2	124.1	165.4	-76.6	175.4	-46.5	0	0	108.5	R620	R620-Q622 PolarHBondContact O-N 3.31Å
623	Y	30.3	Very low	39.4	Very low	211 Å²	211	130.5 Å²	130.5	83%	0.827	70%	0.7	S	S	*	*			trans	-81.8	108.5	166.5	-69.9	-85.8	0	0	0	107.7
624	T	31	Very low	40.4	Very low	130 Å²	130	125.9 Å²	125.9	80%	0.798	67%	0.667	S	S	*	*			trans	-87.8	104	170.2	51.1	0	0	0	0	108.2	S626	T624-S626 PolarHBondContact O-N 3.19Å
625	L	35.1	Very low	41.1	Very low	164 Å²	164	121.8 Å²	121.8	86%	0.859	64%	0.641	S	S	*	*			trans	-69.6	122.7	162.5	-78.6	164.4	0	0	0	107
626	S	36.6	Very low	42.4	Very low	73 Å²	73	120.3 Å²	120.3	51%	0.51	62%	0.624	S	S	.	*			trans	-72.1	127.4	179.9	51.4	0	0	0	0	110.4	T624 S628 S629	T624-S626 PolarHBondContact O-N 3.19Å; S626-S628 VanDerWaalsContact CB-OG 3.31Å; S626-S628 WeakPolarHBondContact CB-OG 3.2Å; S626-S628 PolarHBondContact O-N 3.39Å; S626-S628 PolarHBondContact OG-OG 3.47Å; S626-S628 VanDerWaalsContact OG-OG 3.12Å; S626-S629 PolarHBondContact O-N 2.82Å; S626-S629 VanDerWaalsContact O-N 3.07Å
627	D	44.3	Very low	43.2	Very low	139 Å²	139	116.7 Å²	116.7	74%	0.743	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.5	-26.7	175.1	-88.5	-33.9	0	0	0	113.8	S629 L630 T631	D627-S629 VanDerWaalsContact C-N 3.25Å; D627-S629 PolarHBondContact O-N 3.27Å; D627-L630 PolarHBondContact O-N 2.92Å; D627-T631 PolarHBondContact O-OG1 3.06Å; D627-T631 VanDerWaalsContact O-OG1 3.1Å
628	S	44	Very low	44.3	Very low	80 Å²	80	111.6 Å²	111.6	56%	0.559	56%	0.561	S	S	*	*	H	α-helix	trans	-56.6	-31.1	177.5	46.4	0	0	0	0	114.6	S626	S626-S628 VanDerWaalsContact CB-OG 3.31Å; S626-S628 WeakPolarHBondContact CB-OG 3.2Å; S626-S628 PolarHBondContact O-N 3.39Å; S626-S628 PolarHBondContact OG-OG 3.47Å; S626-S628 VanDerWaalsContact OG-OG 3.12Å
629	S	46.9	Very low	45.2	Very low	59 Å²	59	110.1 Å²	110.1	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-73.9	-31.6	-177.4	177.4	0	0	0	0	113.2	S626 D627 E633	S626-S629 PolarHBondContact O-N 2.82Å; S626-S629 VanDerWaalsContact O-N 3.07Å; D627-S629 VanDerWaalsContact C-N 3.25Å; D627-S629 PolarHBondContact O-N 3.27Å; S629-E633 PolarHBondContact O-N 3.02Å
630	L	41.8	Very low	46	Very low	79 Å²	79	102 Å²	102	41%	0.414	51%	0.508	S	S	.	.	H	α-helix	trans	-88.4	-32.5	-171.5	-69.2	172.5	0	0	0	112.3	D627 E632 E633 L634	D627-L630 PolarHBondContact O-N 2.92Å; L630-E632 PolarHBondContact O-N 3.35Å; L630-E633 PolarHBondContact O-N 3.49Å; L630-L634 PolarHBondContact O-N 3.01Å; L630-L634 VanDerWaalsContact O-N 3.09Å
631	T	51.2	Low	47	Very low	44 Å²	44	92.1 Å²	92.1	27%	0.27	47%	0.471	S	S	.	.	H	α-helix	trans	-62.7	-35.1	172.8	-27.2	0	0	0	0	111	D627 S635	D627-T631 PolarHBondContact O-OG1 3.06Å; D627-T631 VanDerWaalsContact O-OG1 3.1Å; T631-S635 WeakPolarHBondContact O-CB 3.43Å; T631-S635 PolarHBondContact O-N 3.25Å; T631-S635 PolarHBondContact O-OG 2.83Å
632	E	57.2	Low	48.4	Very low	123 Å²	123	85.2 Å²	85.2	58%	0.575	45%	0.448	S	S	*	.	H	α-helix	trans	-67.9	-39.6	176.1	-157.8	169.9	-162.7	0	0	111.5	L630 S635 Q636	L630-E632 PolarHBondContact O-N 3.35Å; E632-S635 PolarHBondContact O-N 2.9Å; E632-Q636 WeakPolarHBondContact O-CB 3.49Å; E632-Q636 VanDerWaalsContact O-CG 3.28Å; E632-Q636 WeakPolarHBondContact O-CG 3.3Å; E632-Q636 PolarHBondContact O-N 2.99Å
633	E	54.4	Low	49.9	Very low	97 Å²	97	83 Å²	83	45%	0.453	44%	0.435	S	S	.	.	H	α-helix	trans	-65.6	-43.9	174.9	-73.1	-159.6	164.9	0	0	113.2	S629 L630 Q636 L637	S629-E633 PolarHBondContact O-N 3.02Å; L630-E633 PolarHBondContact O-N 3.49Å; E633-Q636 PolarHBondContact O-N 2.99Å; E633-L637 WeakPolarHBondContact O-CD1 3.48Å; E633-L637 VanDerWaalsContact O-CG 3.3Å; E633-L637 WeakPolarHBondContact O-CG 3.41Å; E633-L637 PolarHBondContact O-N 3.06Å
634	L	52.7	Low	51.6	Low	14 Å²	14	73.4 Å²	73.4	7%	0.073	40%	0.399	C	S	.	.	H	α-helix	trans	-63.4	-41.4	174.9	-83	-174.2	0	0	0	112.1	T533 H552 L630 Q636 L637 A638	T533-L634 HydrophobicContact CG2-CD1 4.29Å; H552-L634 WeakPolarHBondContact CE1-CD1 3.23Å; H552-L634 VanDerWaalsContact CE1-CG 3.49Å; H552-L634 WeakPolarHBondContact CE1-CG 3.47Å; H552-L634 WeakPolarHBondContact NE2-CD1 3.35Å; L630-L634 PolarHBondContact O-N 3.01Å; L630-L634 VanDerWaalsContact O-N 3.09Å; L634-Q636 VanDerWaalsContact C-N 3.3Å; L634-Q636 PolarHBondContact O-N 3.38Å; L634-L637 PolarHBondContact O-N 2.93Å; L634-L637 VanDerWaalsContact O-N 3.14Å; L634-A638 WeakPolarHBondContact O-CB 3.49Å; L634-A638 PolarHBondContact O-N 2.98Å
635	S	61.5	Low	52.8	Low	42 Å²	42	68.8 Å²	68.8	29%	0.294	37%	0.369	S	S	.	.	H	α-helix	trans	-61.2	-41.5	175.9	-59.5	0	0	0	0	111	T631 E632 L637 A638 L639	T631-S635 WeakPolarHBondContact O-CB 3.43Å; T631-S635 PolarHBondContact O-N 3.25Å; T631-S635 PolarHBondContact O-OG 2.83Å; E632-S635 PolarHBondContact O-N 2.9Å; S635-L637 VanDerWaalsContact C-N 3.34Å; S635-L637 PolarHBondContact O-N 3.43Å; S635-A638 PolarHBondContact O-N 3.4Å; S635-L639 PolarHBondContact O-N 3.35Å
636	Q	64.5	Low	54.2	Low	83 Å²	83	63.5 Å²	63.5	39%	0.388	35%	0.345	S	S	.	.	H	α-helix	trans	-65	-33.2	173.8	-75.7	-176.4	27.6	0	0	113.8	E632 E633 L634	E632-Q636 WeakPolarHBondContact O-CB 3.49Å; E632-Q636 VanDerWaalsContact O-CG 3.28Å; E632-Q636 WeakPolarHBondContact O-CG 3.3Å; E632-Q636 PolarHBondContact O-N 2.99Å; E633-Q636 PolarHBondContact O-N 2.99Å; L634-Q636 VanDerWaalsContact C-N 3.3Å; L634-Q636 PolarHBondContact O-N 3.38Å
637	L	50.2	Low	55.7	Low	31 Å²	31	61.7 Å²	61.7	16%	0.162	33%	0.333	C	S	.	.	H	α-helix	trans	-77.3	-28.1	176.9	-72.5	162	0	0	0	112.6	Y556 L559 E633 L634 S635 P640	Y556-L637 HydrophobicContact CD2-CD1 3.77Å; Y556-L637 HydrophobicContact CE2-CD1 3.56Å; L559-L637 HydrophobicContact CD2-CB 3.82Å; E633-L637 WeakPolarHBondContact O-CD1 3.48Å; E633-L637 VanDerWaalsContact O-CG 3.3Å; E633-L637 WeakPolarHBondContact O-CG 3.41Å; E633-L637 PolarHBondContact O-N 3.06Å; L634-L637 PolarHBondContact O-N 2.93Å; L634-L637 VanDerWaalsContact O-N 3.14Å; S635-L637 VanDerWaalsContact C-N 3.34Å; S635-L637 PolarHBondContact O-N 3.43Å; L637-P640 WeakPolarHBondContact O-CD 3.38Å
638	A	58.3	Low	56.9	Low	2 Å²	2	57.6 Å²	57.6	2%	0.017	31%	0.308	C	S	.	.	H	α-helix	trans	-78.2	-24.8	177.7	0	0	0	0	0	113.7	L530 L634 S635 Y641 Q642	L530-A638 HydrophobicContact CD1-CB 4.35Å; L530-A638 HydrophobicContact CD2-CB 3.39Å; L530-A638 HydrophobicContact CG-CB 4.41Å; L634-A638 WeakPolarHBondContact O-CB 3.49Å; L634-A638 PolarHBondContact O-N 2.98Å; S635-A638 PolarHBondContact O-N 3.4Å; A638-Y641 WeakPolarHBondContact O-CB 3.29Å; A638-Y641 PolarHBondContact O-N 2.97Å; A638-Q642 PolarHBondContact O-N 3.14Å
639	L	58.6	Low	58.3	Low	98 Å²	98	57.5 Å²	57.5	51%	0.513	30%	0.299	S	S	.	.	H	α-helix	trans	-51.5	-46.9	-176.9	-103.6	148	0	0	0	114.4	S635 Y641 Q642 K643	S635-L639 PolarHBondContact O-N 3.35Å; L639-Y641 VanDerWaalsContact C-N 3.32Å; L639-Y641 PolarHBondContact O-N 3.26Å; L639-Q642 PolarHBondContact O-N 3Å; L639-K643 WeakPolarHBondContact O-CB 3.33Å; L639-K643 PolarHBondContact O-N 3.37Å
640	P	50.8	Low	59.9	Low	35 Å²	35	59.1 Å²	59.1	23%	0.227	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-39.6	175.9	-23.6	34.2	0	0	0	112.9	L637 K643 L644	L637-P640 WeakPolarHBondContact O-CD 3.38Å; P640-K643 PolarHBondContact O-N 3.38Å; P640-L644 WeakPolarHBondContact O-CB 3.37Å; P640-L644 PolarHBondContact O-N 2.87Å
641	Y	54	Low	61.9	Low	27 Å²	27	59.2 Å²	59.2	11%	0.106	30%	0.304	C	S	.	.	H	α-helix	trans	-67.3	-44.7	177.4	-179.8	-101.7	0	0	0	111.4	M523 L530 F566 A638 L639 K643 L644 M645	M523-Y641 HydrophobicContact CE-CE2 3.76Å; M523-Y641 WeakPolarHBondContact CE-OH 3.37Å; L530-Y641 HydrophobicContact CD1-CD1 3.91Å; L530-Y641 HydrophobicContact CD1-CE1 4.28Å; F566-Y641 HydrophobicContact CE2-CD2 4.3Å; F566-Y641 HydrophobicContact CE2-CE2 4.2Å; F566-Y641 HydrophobicContact CZ-CE2 4.31Å; A638-Y641 WeakPolarHBondContact O-CB 3.29Å; A638-Y641 PolarHBondContact O-N 2.97Å; L639-Y641 VanDerWaalsContact C-N 3.32Å; L639-Y641 PolarHBondContact O-N 3.26Å; Y641-K643 VanDerWaalsContact C-N 3.29Å; Y641-K643 PolarHBondContact O-N 2.99Å; Y641-L644 WeakPolarHBondContact O-CB 3.19Å; Y641-L644 PolarHBondContact O-N 3.49Å; Y641-M645 HydrophobicContact CD1-CG 4.18Å; Y641-M645 HydrophobicContact CD2-CE 4.42Å; Y641-M645 HydrophobicContact CE1-CG 3.76Å; Y641-M645 HydrophobicContact CE1-SD 4.44Å; Y641-M645 HydrophobicContact CE2-CE 3.83Å; Y641-M645 HydrophobicContact CE2-CG 4.18Å; Y641-M645 HydrophobicContact CE2-SD 4.18Å; Y641-M645 WeakPolarHBondContact O-CG 3.35Å; Y641-M645 PolarHBondContact O-N 3.35Å
642	Q	61	Low	63.6	Low	81 Å²	81	57.4 Å²	57.4	38%	0.379	29%	0.293	S	S	.	.	H	α-helix	trans	-59.8	-40	173.8	-71.3	-179.7	-3.9	0	0	112	A638 L639 M645 S646	A638-Q642 PolarHBondContact O-N 3.14Å; L639-Q642 PolarHBondContact O-N 3Å; Q642-M645 PolarHBondContact O-N 3.04Å; Q642-S646 WeakPolarHBondContact O-CB 3.44Å; Q642-S646 PolarHBondContact O-N 3.07Å; Q642-S646 PolarHBondContact O-OG 2.64Å
643	K	64	Low	65.1	Low	130 Å²	130	53.2 Å²	53.2	57%	0.565	27%	0.274	S	S	*	.	H	α-helix	trans	-66.7	-38.3	176.7	-165.3	172.8	-177	178.9	0	112.3	L639 P640 Y641 S646 S647	L639-K643 WeakPolarHBondContact O-CB 3.33Å; L639-K643 PolarHBondContact O-N 3.37Å; P640-K643 PolarHBondContact O-N 3.38Å; Y641-K643 VanDerWaalsContact C-N 3.29Å; Y641-K643 PolarHBondContact O-N 2.99Å; K643-S646 WeakPolarHBondContact CA-OG 3.39Å; K643-S646 PolarHBondContact O-OG 3.24Å; K643-S647 PolarHBondContact O-N 3.35Å
644	L	64.5	Low	66.7	Low	10 Å²	10	54.4 Å²	54.4	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-47.3	173.6	-176.5	66.6	0	0	0	111	F566 P640 Y641 S646 S647 F648	F566-L644 HydrophobicContact CD1-CD2 4.3Å; F566-L644 HydrophobicContact CE1-CD2 4.29Å; P640-L644 WeakPolarHBondContact O-CB 3.37Å; P640-L644 PolarHBondContact O-N 2.87Å; Y641-L644 WeakPolarHBondContact O-CB 3.19Å; Y641-L644 PolarHBondContact O-N 3.49Å; L644-S646 VanDerWaalsContact C-N 3.35Å; L644-S646 PolarHBondContact O-N 3.43Å; L644-S647 WeakPolarHBondContact O-CB 3.46Å; L644-S647 PolarHBondContact O-N 3.15Å; L644-S647 VanDerWaalsContact O-N 3.16Å; L644-S647 PolarHBondContact O-OG 3.38Å; L644-F648 HydrophobicContact CD1-CE2 3.96Å; L644-F648 HydrophobicContact CD1-CZ 4Å; L644-F648 HydrophobicContact CD2-CE2 4.19Å; L644-F648 HydrophobicContact CG-CD2 4.29Å; L644-F648 HydrophobicContact CG-CE2 3.69Å; L644-F648 HydrophobicContact CG-CZ 4.23Å; L644-F648 WeakPolarHBondContact O-CD2 3.3Å; L644-F648 PolarHBondContact O-N 2.82Å
645	M	58.2	Low	68.5	Low	34 Å²	34	55.8 Å²	55.8	17%	0.167	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-39.3	178.8	-66.9	-58.4	100.8	0	0	112.8	Y641 Q642 F648 E649 A917	Y641-M645 HydrophobicContact CD1-CG 4.18Å; Y641-M645 HydrophobicContact CD2-CE 4.42Å; Y641-M645 HydrophobicContact CE1-CG 3.76Å; Y641-M645 HydrophobicContact CE1-SD 4.44Å; Y641-M645 HydrophobicContact CE2-CE 3.83Å; Y641-M645 HydrophobicContact CE2-CG 4.18Å; Y641-M645 HydrophobicContact CE2-SD 4.18Å; Y641-M645 WeakPolarHBondContact O-CG 3.35Å; Y641-M645 PolarHBondContact O-N 3.35Å; Q642-M645 PolarHBondContact O-N 3.04Å; M645-F648 HydrophobicContact CE-CD2 3.6Å; M645-F648 HydrophobicContact CE-CE2 3.64Å; M645-F648 WeakPolarHBondContact O-CB 3.37Å; M645-F648 PolarHBondContact O-N 3.37Å; M645-F648 HydrophobicContact SD-CD2 4.42Å; M645-E649 PolarHBondContact O-N 2.98Å; M645-A917 HydrophobicContact SD-CB 4.21Å
646	S	64.4	Low	69.9	Low	53 Å²	53	54 Å²	54	37%	0.371	28%	0.279	S	S	.	.	H	α-helix	trans	-70.4	-29.9	174.9	50.7	0	0	0	0	113.2	Q642 K643 L644 F648 E649 N650	Q642-S646 WeakPolarHBondContact O-CB 3.44Å; Q642-S646 PolarHBondContact O-N 3.07Å; Q642-S646 PolarHBondContact O-OG 2.64Å; K643-S646 WeakPolarHBondContact CA-OG 3.39Å; K643-S646 PolarHBondContact O-OG 3.24Å; L644-S646 VanDerWaalsContact C-N 3.35Å; L644-S646 PolarHBondContact O-N 3.43Å; S646-F648 VanDerWaalsContact C-N 3.27Å; S646-F648 PolarHBondContact O-N 3.41Å; S646-E649 PolarHBondContact O-N 2.98Å; S646-N650 PolarHBondContact O-ND2 2.95Å
647	S	67.9	Low	70.9	Confident	35 Å²	35	54.4 Å²	54.4	25%	0.245	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-40.4	172.5	76.7	0	0	0	0	111.6	K643 L644 N650	K643-S647 PolarHBondContact O-N 3.35Å; L644-S647 WeakPolarHBondContact O-CB 3.46Å; L644-S647 PolarHBondContact O-N 3.15Å; L644-S647 VanDerWaalsContact O-N 3.16Å; L644-S647 PolarHBondContact O-OG 3.38Å; S647-N650 PolarHBondContact O-N 3.06Å
648	F	68.1	Low	72.7	Confident	52 Å²	52	57.9 Å²	57.9	23%	0.228	31%	0.307	C	S	.	.	H	α-helix	trans	-67.6	-33.2	179.1	-81.6	-30.8	0	0	0	114.2	L644 M645 S646 N650 D651 I652 H920	L644-F648 HydrophobicContact CD1-CE2 3.96Å; L644-F648 HydrophobicContact CD1-CZ 4Å; L644-F648 HydrophobicContact CD2-CE2 4.19Å; L644-F648 HydrophobicContact CG-CD2 4.29Å; L644-F648 HydrophobicContact CG-CE2 3.69Å; L644-F648 HydrophobicContact CG-CZ 4.23Å; L644-F648 WeakPolarHBondContact O-CD2 3.3Å; L644-F648 PolarHBondContact O-N 2.82Å; M645-F648 HydrophobicContact CE-CD2 3.6Å; M645-F648 HydrophobicContact CE-CE2 3.64Å; M645-F648 WeakPolarHBondContact O-CB 3.37Å; M645-F648 PolarHBondContact O-N 3.37Å; M645-F648 HydrophobicContact SD-CD2 4.42Å; S646-F648 VanDerWaalsContact C-N 3.27Å; S646-F648 PolarHBondContact O-N 3.41Å; F648-N650 VanDerWaalsContact C-N 3.33Å; F648-D651 PolarHBondContact O-N 2.86Å; F648-I652 WeakPolarHBondContact O-CG1 3.36Å; F648-I652 PolarHBondContact O-N 2.91Å; F648-H920 WeakPolarHBondContact CB-CD2 3.41Å; F648-H920 WeakPolarHBondContact CB-NE2 3.49Å; F648-H920 AromaticContact CD1-CE1 3.48Å; F648-H920 VanDerWaalsContact CD1-CE1 3.48Å; F648-H920 WeakPolarHBondContact CD1-CE1 3.13Å; F648-H920 AromaticContact CD1-ND1 3.94Å; F648-H920 AromaticContact CD1-NE2 3.57Å; F648-H920 AromaticContact CG-CD2 3.61Å; F648-H920 AromaticContact CG-CE1 3.84Å; F648-H920 AromaticContact CG-NE2 3.47Å; F648-H920 WeakPolarHBondContact CG-NE2 3.31Å; F648-H920 PolarHBondContact O-NE2 2.76Å
649	E	74.8	Confident	74.3	Confident	78 Å²	78	58.4 Å²	58.4	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-42	173.9	-75.5	176.6	179.4	0	0	111.9	M645 S646 D651 I652 D653 Y903 P916	M645-E649 PolarHBondContact O-N 2.98Å; S646-E649 PolarHBondContact O-N 2.98Å; E649-D651 VanDerWaalsContact C-N 3.28Å; E649-D651 PolarHBondContact O-N 2.84Å; E649-I652 PolarHBondContact O-N 2.82Å; E649-D653 VanDerWaalsContact O-CB 3.29Å; E649-D653 WeakPolarHBondContact O-CB 3.23Å; E649-D653 VanDerWaalsContact O-CG 3.25Å; E649-D653 PolarHBondContact O-N 2.65Å; E649-Y903 PolarHBondContact O-OH 3.09Å; E649-P916 HydrophobicContact CG-CB 3.51Å; E649-P916 HydrophobicContact CG-CG 3.5Å; E649-P916 VanDerWaalsContact CG-CG 3.5Å; E649-P916 WeakPolarHBondContact OE1-CG 3.47Å
650	N	79	Confident	75.7	Confident	93 Å²	93	59.1 Å²	59.1	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-61.6	-36.4	-179.1	-69.8	-59.8	0	0	0	112.5	S646 S647 F648 K654	S646-N650 PolarHBondContact O-ND2 2.95Å; S647-N650 PolarHBondContact O-N 3.06Å; F648-N650 VanDerWaalsContact C-N 3.33Å; N650-K654 VanDerWaalsContact O-CG 3.23Å; N650-K654 WeakPolarHBondContact O-CG 3.5Å; N650-K654 PolarHBondContact O-N 2.85Å
651	D	83.7	Confident	77.3	Confident	82 Å²	82	60 Å²	60	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-78.1	-38.9	-178.4	-67.6	-24.4	0	0	0	112.3	F648 E649 D653 K654 A655	F648-D651 PolarHBondContact O-N 2.86Å; E649-D651 VanDerWaalsContact C-N 3.28Å; E649-D651 PolarHBondContact O-N 2.84Å; D651-D653 VanDerWaalsContact C-N 3.28Å; D651-D653 PolarHBondContact O-N 3.46Å; D651-K654 PolarHBondContact O-N 3.44Å; D651-K654 IonicContact OD1-NZ 3.82Å; D651-K654 PolarHBondContact OD1-NZ 2.91Å; D651-A655 PolarHBondContact O-N 3.37Å
652	I	88.7	Confident	78.9	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-39.8	172.1	-55.5	165.8	0	0	0	109.8	F648 E649 A655 A656 Y903 P916 W919 H920 P934	F648-I652 WeakPolarHBondContact O-CG1 3.36Å; F648-I652 PolarHBondContact O-N 2.91Å; E649-I652 PolarHBondContact O-N 2.82Å; I652-A655 PolarHBondContact O-N 2.92Å; I652-A656 WeakPolarHBondContact O-CB 3.26Å; I652-A656 PolarHBondContact O-N 3.15Å; I652-Y903 HydrophobicContact CB-CE1 4.02Å; I652-Y903 HydrophobicContact CB-CE2 4.03Å; I652-Y903 HydrophobicContact CD1-CD2 4.29Å; I652-Y903 HydrophobicContact CD1-CE2 3.89Å; I652-Y903 HydrophobicContact CG2-CD1 3.43Å; I652-Y903 VanDerWaalsContact CG2-CD1 3.43Å; I652-Y903 HydrophobicContact CG2-CD2 3.77Å; I652-Y903 HydrophobicContact CG2-CE1 3.34Å; I652-Y903 HydrophobicContact CG2-CE2 3.66Å; I652-Y903 HydrophobicContact CG2-CG 3.64Å; I652-Y903 VanDerWaalsContact CG2-CZ 3.46Å; I652-P916 HydrophobicContact CD1-CB 4.23Å; I652-W919 HydrophobicContact CD1-CB 3.93Å; I652-W919 HydrophobicContact CD1-CG 3.87Å; I652-W919 HydrophobicContact CG1-CG 4.33Å; I652-W919 HydrophobicContact CG2-CD2 4.4Å; I652-W919 HydrophobicContact CG2-CG 4.33Å; I652-H920 WeakPolarHBondContact CD1-CD2 3.45Å; I652-H920 VanDerWaalsContact CD1-NE2 3.28Å; I652-H920 WeakPolarHBondContact CD1-NE2 3.5Å; I652-H920 WeakPolarHBondContact CG1-NE2 3.5Å; I652-P934 HydrophobicContact CG2-CB 3.59Å; I652-P934 HydrophobicContact CG2-CG 3.65Å
653	D	88.2	Confident	80.1	Confident	35 Å²	35	55.8 Å²	55.8	19%	0.187	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-42.7	177.3	-80	-11.8	0	0	0	113	E649 D651 A655 A656 N657 Y903 R936	E649-D653 VanDerWaalsContact O-CB 3.29Å; E649-D653 WeakPolarHBondContact O-CB 3.23Å; E649-D653 VanDerWaalsContact O-CG 3.25Å; E649-D653 PolarHBondContact O-N 2.65Å; D651-D653 VanDerWaalsContact C-N 3.28Å; D651-D653 PolarHBondContact O-N 3.46Å; D653-A655 VanDerWaalsContact C-N 3.34Å; D653-A656 PolarHBondContact O-N 3.36Å; D653-N657 WeakPolarHBondContact O-CB 3.49Å; D653-N657 VanDerWaalsContact O-CG 3.23Å; D653-N657 PolarHBondContact O-N 3.13Å; D653-N657 PolarHBondContact O-ND2 3.46Å; D653-N657 VanDerWaalsContact O-ND2 3.12Å; D653-Y903 WeakPolarHBondContact OD1-CE1 3.29Å; D653-Y903 VanDerWaalsContact OD1-CZ 3.3Å; D653-Y903 PolarHBondContact OD1-OH 3.49Å; D653-R936 IonicContact OD1-CZ 3.76Å; D653-R936 IonicContact OD1-NH1 3.74Å; D653-R936 PolarHBondContact OD1-NH1 3.44Å; D653-R936 IonicContact OD2-NH1 2.82Å; D653-R936 PolarHBondContact OD2-NH1 3.04Å
654	K	88.1	Confident	81.1	Confident	121 Å²	121	52.3 Å²	52.3	53%	0.526	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-47.4	172	-72.5	168	-159.3	159.1	0	110.7	N650 D651 A656 N657 V658	N650-K654 VanDerWaalsContact O-CG 3.23Å; N650-K654 WeakPolarHBondContact O-CG 3.5Å; N650-K654 PolarHBondContact O-N 2.85Å; D651-K654 PolarHBondContact O-N 3.44Å; D651-K654 IonicContact OD1-NZ 3.82Å; D651-K654 PolarHBondContact OD1-NZ 2.91Å; K654-A656 VanDerWaalsContact C-N 3.33Å; K654-A656 PolarHBondContact O-N 3.08Å; K654-N657 PolarHBondContact O-N 3.41Å; K654-V658 WeakPolarHBondContact O-CG2 3.33Å; K654-V658 PolarHBondContact O-N 3.29Å
655	A	89.5	Confident	82	Confident	43 Å²	43	55.6 Å²	55.6	36%	0.355	30%	0.303	S	S	.	.	H	α-helix	trans	-60.8	-42	179.1	0	0	0	0	0	112.1	D651 I652 D653 V658 Y659 P934	D651-A655 PolarHBondContact O-N 3.37Å; I652-A655 PolarHBondContact O-N 2.92Å; D653-A655 VanDerWaalsContact C-N 3.34Å; A655-V658 PolarHBondContact O-N 3.06Å; A655-Y659 PolarHBondContact O-N 3.48Å; A655-P934 HydrophobicContact CB-CG 3.69Å
656	A	90.6	Very high	83.3	Confident	6 Å²	6	54.9 Å²	54.9	5%	0.05	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-40.2	176.8	0	0	0	0	0	112.1	I652 D653 K654 Y659 R660 P934 R936	I652-A656 WeakPolarHBondContact O-CB 3.26Å; I652-A656 PolarHBondContact O-N 3.15Å; D653-A656 PolarHBondContact O-N 3.36Å; K654-A656 VanDerWaalsContact C-N 3.33Å; K654-A656 PolarHBondContact O-N 3.08Å; A656-Y659 PolarHBondContact O-N 3.49Å; A656-R660 PolarHBondContact O-N 3.46Å; A656-P934 VanDerWaalsContact CA-O 3.3Å; A656-P934 WeakPolarHBondContact CA-O 3.41Å; A656-P934 HydrophobicContact CB-CB 4.34Å; A656-P934 HydrophobicContact CB-CG 4.14Å; A656-R936 HydrophobicContact CB-CB 4.06Å
657	N	87.5	Confident	84.1	Confident	90 Å²	90	55.1 Å²	55.1	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-66.4	-38.6	176.4	-75.6	-32.5	0	0	0	112.7	D653 K654 R660 N661	D653-N657 WeakPolarHBondContact O-CB 3.49Å; D653-N657 VanDerWaalsContact O-CG 3.23Å; D653-N657 PolarHBondContact O-N 3.13Å; D653-N657 PolarHBondContact O-ND2 3.46Å; D653-N657 VanDerWaalsContact O-ND2 3.12Å; K654-N657 PolarHBondContact O-N 3.41Å; N657-R660 PolarHBondContact O-N 3.21Å; N657-N661 PolarHBondContact O-N 3.12Å; N657-N661 PolarHBondContact O-ND2 3.4Å; N657-N661 VanDerWaalsContact O-ND2 3.12Å
658	V	87.7	Confident	84.8	Confident	105 Å²	105	60.9 Å²	60.9	64%	0.636	33%	0.329	S	S	*	.	H	α-helix	trans	-63.6	-46.7	173.9	171.4	0	0	0	0	110.1	K654 A655 R660 N661 S662	K654-V658 WeakPolarHBondContact O-CG2 3.33Å; K654-V658 PolarHBondContact O-N 3.29Å; A655-V658 PolarHBondContact O-N 3.06Å; V658-R660 VanDerWaalsContact C-N 3.32Å; V658-R660 PolarHBondContact O-N 2.75Å; V658-N661 PolarHBondContact O-N 2.87Å; V658-N661 VanDerWaalsContact O-N 3.13Å; V658-S662 PolarHBondContact O-N 2.82Å
659	Y	90.8	Very high	85.5	Confident	12 Å²	12	61.7 Å²	61.7	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-59.3	-41.7	176.9	-178.6	-90.9	0	0	0	112.3	A655 A656 N661 S662 N869 Q883 D885 R906 K933 L935	A655-Y659 PolarHBondContact O-N 3.48Å; A656-Y659 PolarHBondContact O-N 3.49Å; Y659-N661 PolarHBondContact O-N 2.81Å; Y659-N661 VanDerWaalsContact O-N 3.1Å; Y659-S662 WeakPolarHBondContact O-CB 3.47Å; Y659-S662 PolarHBondContact O-N 3.3Å; Y659-S662 PolarHBondContact O-OG 2.82Å; Y659-N869 PolarHBondContact OH-OD1 2.9Å; Y659-Q883 VanDerWaalsContact CE1-NE2 3.34Å; Y659-Q883 PolarHBondContact O-NE2 2.96Å; Y659-D885 VanDerWaalsContact CE1-OD1 3.25Å; Y659-D885 WeakPolarHBondContact CE1-OD1 3.46Å; Y659-D885 PolarHBondContact OH-OD1 2.74Å; Y659-R906 WeakPolarHBondContact OH-CD 3.33Å; Y659-K933 HydrophobicContact CD2-CB 3.83Å; Y659-K933 HydrophobicContact CD2-CD 3.66Å; Y659-K933 HydrophobicContact CD2-CG 4.38Å; Y659-K933 HydrophobicContact CE2-CB 4.44Å; Y659-K933 HydrophobicContact CE2-CD 4.36Å; Y659-K933 HydrophobicContact CG-CB 4.38Å; Y659-L935 HydrophobicContact CD1-CD1 4.5Å; Y659-L935 HydrophobicContact CD1-CD2 4.32Å; Y659-L935 HydrophobicContact CD1-CG 3.85Å; Y659-L935 HydrophobicContact CE1-CD1 4.15Å; Y659-L935 HydrophobicContact CE1-CD2 3.6Å; Y659-L935 HydrophobicContact CE1-CG 3.57Å
660	R	87.8	Confident	85.8	Confident	113 Å²	113	59.7 Å²	59.7	43%	0.426	33%	0.333	S	S	.	.	H	α-helix	trans	-57.5	-27.5	177.8	-160.4	-174.8	83.1	168.8	0.4	113.5	A656 N657 V658 T938	A656-R660 PolarHBondContact O-N 3.46Å; N657-R660 PolarHBondContact O-N 3.21Å; V658-R660 VanDerWaalsContact C-N 3.32Å; V658-R660 PolarHBondContact O-N 2.75Å; R660-T938 PolarHBondContact NH1-OG1 3.28Å
661	N	85	Confident	85.8	Confident	53 Å²	53	59.7 Å²	59.7	28%	0.283	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	5.1	-178.1	-64.4	-42.2	0	0	0	113.3	R84 N657 V658 Y659 A663 S664	R84-N661 PolarHBondContact NH2-OD1 3.24Å; N657-N661 PolarHBondContact O-N 3.12Å; N657-N661 PolarHBondContact O-ND2 3.4Å; N657-N661 VanDerWaalsContact O-ND2 3.12Å; V658-N661 PolarHBondContact O-N 2.87Å; V658-N661 VanDerWaalsContact O-N 3.13Å; Y659-N661 PolarHBondContact O-N 2.81Å; Y659-N661 VanDerWaalsContact O-N 3.1Å; N661-A663 VanDerWaalsContact C-N 3.34Å; N661-A663 PolarHBondContact O-N 2.82Å; N661-S664 PolarHBondContact O-N 2.82Å
662	S	88.3	Confident	85.9	Confident	15 Å²	15	56.1 Å²	56.1	11%	0.105	31%	0.312	C	S	.	.	H	α-helix	trans	-67.3	-26.7	-168.6	60.3	0	0	0	0	114.5	V658 Y659 S664 T665 V666 F870 Q883	V658-S662 PolarHBondContact O-N 2.82Å; Y659-S662 WeakPolarHBondContact O-CB 3.47Å; Y659-S662 PolarHBondContact O-N 3.3Å; Y659-S662 PolarHBondContact O-OG 2.82Å; S662-S664 PolarHBondContact O-N 3.11Å; S662-S664 VanDerWaalsContact O-N 3.14Å; S662-T665 WeakPolarHBondContact O-CB 3.43Å; S662-T665 PolarHBondContact O-N 2.77Å; S662-V666 WeakPolarHBondContact O-CG2 3.33Å; S662-V666 PolarHBondContact O-N 3.45Å; S662-F870 VanDerWaalsContact OG-CZ 3.23Å; S662-F870 WeakPolarHBondContact OG-CZ 3.08Å; S662-Q883 PolarHBondContact OG-OE1 3.46Å; S662-Q883 VanDerWaalsContact OG-OE1 3.09Å
663	A	86.2	Confident	85.8	Confident	5 Å²	5	58.9 Å²	58.9	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-53.3	-38	176.8	0	0	0	0	0	113.4	N661 A667 A814 F870 Q883	N661-A663 VanDerWaalsContact C-N 3.34Å; N661-A663 PolarHBondContact O-N 2.82Å; A663-A667 WeakPolarHBondContact O-CB 3.43Å; A663-A667 PolarHBondContact O-N 2.98Å; A663-A667 VanDerWaalsContact O-N 3.07Å; A663-A814 HydrophobicContact CB-CB 3.98Å; A663-F870 HydrophobicContact CB-CD1 4.27Å; A663-F870 HydrophobicContact CB-CE1 4.15Å; A663-Q883 HydrophobicContact CB-CB 3.88Å
664	S	83.8	Confident	86.1	Confident	57 Å²	57	59.9 Å²	59.9	40%	0.399	34%	0.337	S	S	.	.	H	α-helix	trans	-71.7	-35.8	178.3	-170.1	0	0	0	0	112.3	N661 S662 Q668	N661-S664 PolarHBondContact O-N 2.82Å; S662-S664 PolarHBondContact O-N 3.11Å; S662-S664 VanDerWaalsContact O-N 3.14Å; S664-Q668 WeakPolarHBondContact O-CG 3.44Å; S664-Q668 PolarHBondContact O-N 3.22Å
665	T	84.4	Confident	86.4	Confident	80 Å²	80	56.9 Å²	56.9	49%	0.491	33%	0.325	S	S	.	.	H	α-helix	trans	-68.4	-47.4	176.5	-56	0	0	0	0	109.8	S662 A667 Q668 T669	S662-T665 WeakPolarHBondContact O-CB 3.43Å; S662-T665 PolarHBondContact O-N 2.77Å; T665-A667 VanDerWaalsContact C-N 3.33Å; T665-A667 PolarHBondContact O-N 2.99Å; T665-Q668 WeakPolarHBondContact O-CB 3.21Å; T665-Q668 PolarHBondContact O-N 3.46Å; T665-T669 HydrophobicContact CG2-CG2 4.26Å; T665-T669 PolarHBondContact O-N 2.98Å; T665-T669 PolarHBondContact O-OG1 3.37Å; T665-T669 VanDerWaalsContact O-OG1 3.06Å
666	V	84.4	Confident	86.7	Confident	19 Å²	19	56 Å²	56	12%	0.115	31%	0.312	C	S	.	.	H	α-helix	trans	-55.5	-49.8	176.9	172.7	0	0	0	0	110.2	S662 Q668 T669 S670 F870 T881	S662-V666 WeakPolarHBondContact O-CG2 3.33Å; S662-V666 PolarHBondContact O-N 3.45Å; V666-Q668 PolarHBondContact O-N 2.88Å; V666-T669 PolarHBondContact O-N 3.45Å; V666-T669 VanDerWaalsContact O-N 3.1Å; V666-S670 CarbonylContact O-C 3.58Å; V666-S670 PolarHBondContact O-N 2.92Å; V666-S670 PolarHBondContact O-OG 3.21Å; V666-F870 HydrophobicContact CB-CD1 4.38Å; V666-F870 HydrophobicContact CB-CD2 4.45Å; V666-F870 HydrophobicContact CB-CG 4.34Å; V666-F870 HydrophobicContact CG1-CB 4.23Å; V666-F870 HydrophobicContact CG1-CD1 4.46Å; V666-F870 HydrophobicContact CG1-CD2 4.12Å; V666-F870 HydrophobicContact CG1-CG 4Å; V666-F870 HydrophobicContact CG2-CD1 4.21Å; V666-F870 HydrophobicContact CG2-CD2 3.83Å; V666-F870 HydrophobicContact CG2-CE1 3.99Å; V666-F870 HydrophobicContact CG2-CE2 3.58Å; V666-F870 HydrophobicContact CG2-CG 4.14Å; V666-F870 HydrophobicContact CG2-CZ 3.68Å; V666-T881 HydrophobicContact CG1-CG2 4.24Å
667	A	82.4	Confident	86.9	Confident	57 Å²	57	59.5 Å²	59.5	47%	0.471	34%	0.336	S	S	.	.	H	α-helix	trans	-56.1	-22.1	177.9	0	0	0	0	0	114.8	A663 T665 T881	A663-A667 WeakPolarHBondContact O-CB 3.43Å; A663-A667 PolarHBondContact O-N 2.98Å; A663-A667 VanDerWaalsContact O-N 3.07Å; T665-A667 VanDerWaalsContact C-N 3.33Å; T665-A667 PolarHBondContact O-N 2.99Å; A667-T881 WeakPolarHBondContact CB-OG1 3.32Å
668	Q	82.7	Confident	87	Confident	156 Å²	156	56.5 Å²	56.5	73%	0.729	33%	0.326	S	S	*	.	H	α-helix	trans	-95.8	-30.6	179.1	-70.6	174.9	-15.9	0	0	113	S664 T665 V666	S664-Q668 WeakPolarHBondContact O-CG 3.44Å; S664-Q668 PolarHBondContact O-N 3.22Å; T665-Q668 WeakPolarHBondContact O-CB 3.21Å; T665-Q668 PolarHBondContact O-N 3.46Å; V666-Q668 PolarHBondContact O-N 2.88Å
669	T	82.6	Confident	86.8	Confident	70 Å²	70	60.7 Å²	60.7	43%	0.429	34%	0.336	S	S	.	.	H	α-helix	trans	-103.7	-22.7	-170.8	58.4	0	0	0	0	113.9	T665 V666	T665-T669 HydrophobicContact CG2-CG2 4.26Å; T665-T669 PolarHBondContact O-N 2.98Å; T665-T669 PolarHBondContact O-OG1 3.37Å; T665-T669 VanDerWaalsContact O-OG1 3.06Å; V666-T669 PolarHBondContact O-N 3.45Å; V666-T669 VanDerWaalsContact O-N 3.1Å
670	S	80.1	Confident	86.3	Confident	36 Å²	36	61.4 Å²	61.4	25%	0.252	34%	0.341	S	S	.	.			trans	-159.8	151.4	-167.1	51.1	0	0	0	0	112	V666	V666-S670 CarbonylContact O-C 3.58Å; V666-S670 PolarHBondContact O-N 2.92Å; V666-S670 PolarHBondContact O-OG 3.21Å
671	E	80.2	Confident	85.7	Confident	93 Å²	93	59.8 Å²	59.8	44%	0.435	35%	0.345	S	S	.	.			trans	-76	139	166.5	-171.4	169	-171.1	0	0	109.7	R874	E671-R874 VanDerWaalsContact CD-NH2 3.28Å; E671-R874 IonicContact OE1-CZ 3.88Å; E671-R874 IonicContact OE1-NH1 3.36Å; E671-R874 PolarHBondContact OE1-NH1 2.78Å; E671-R874 IonicContact OE1-NH2 2.76Å; E671-R874 PolarHBondContact OE1-NH2 2.99Å
672	A	85.5	Confident	84.9	Confident	7 Å²	7	64.2 Å²	64.2	6%	0.058	37%	0.367	C	S	.	.			trans	-65.4	142.9	172.3	0	0	0	0	0	110.2	Y674 F870 D872 T881	A672-Y674 PolarHBondContact O-N 2.86Å; A672-F870 HydrophobicContact CB-CB 3.85Å; A672-D872 HydrophobicContact CB-CB 4.33Å; A672-T881 HydrophobicContact CB-CG2 4.32Å
673	A	87	Confident	84.1	Confident	64 Å²	64	66.5 Å²	66.5	53%	0.529	37%	0.373	S	S	.	.	S	Bend	trans	-60.7	-20.4	179.9	0	0	0	0	0	113.6
674	Y	92.7	Very high	83.1	Confident	56 Å²	56	70.6 Å²	70.6	22%	0.22	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.1	177.3	-69.2	-94.3	0	0	0	109.8	Q235 A672 F832 A868 V871 D872	Q235-Y674 PolarHBondContact NE2-OH 2.84Å; Q235-Y674 VanDerWaalsContact NE2-OH 3.1Å; A672-Y674 PolarHBondContact O-N 2.86Å; Y674-F832 HydrophobicContact CD1-CE1 4.34Å; Y674-F832 HydrophobicContact CE1-CE1 4.44Å; Y674-A868 HydrophobicContact CD2-CB 3.5Å; Y674-A868 VanDerWaalsContact CD2-CB 3.5Å; Y674-A868 HydrophobicContact CE2-CB 3.71Å; Y674-A868 HydrophobicContact CG-CB 4.07Å; Y674-V871 CarbonylContact O-C 3.15Å; Y674-V871 WeakPolarHBondContact O-CA 3.5Å; Y674-D872 PolarHBondContact O-N 2.9Å
675	H	94.2	Very high	82.5	Confident	58 Å²	58	70 Å²	70	27%	0.269	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.1	172.4	66.2	60.5	0	0	0	111.1	D872	H675-D872 CarbonylContact C-O 3.57Å; H675-D872 WeakPolarHBondContact CA-O 3.47Å; H675-D872 HydrophobicContact CB-CB 3.93Å
676	W	96.6	Very high	81.4	Confident	25 Å²	25	76.2 Å²	76.2	10%	0.095	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.5	168.9	179.9	94.9	0	0	0	109.3	G678 I827 D830 L831 D872 I873 R874 T875	W676-G678 VanDerWaalsContact CH2-CA 3.5Å; W676-I827 HydrophobicContact CB-CG2 4Å; W676-I827 HydrophobicContact CD2-CB 4.31Å; W676-I827 HydrophobicContact CD2-CD1 4.41Å; W676-I827 HydrophobicContact CD2-CG1 3.67Å; W676-I827 HydrophobicContact CD2-CG2 4.21Å; W676-I827 HydrophobicContact CE3-CD1 4.03Å; W676-I827 HydrophobicContact CE3-CG1 3.77Å; W676-I827 HydrophobicContact CG-CB 4.38Å; W676-I827 HydrophobicContact CG-CG1 4.24Å; W676-I827 HydrophobicContact CG-CG2 3.91Å; W676-I827 HydrophobicContact CH2-CD1 4.36Å; W676-I827 HydrophobicContact CH2-CG1 3.91Å; W676-I827 HydrophobicContact CZ2-CG1 3.84Å; W676-I827 HydrophobicContact CZ3-CD1 3.99Å; W676-I827 HydrophobicContact CZ3-CG1 3.88Å; W676-D830 PolarHBondContact NE1-OD2 3.16Å; W676-L831 HydrophobicContact CB-CD1 4.08Å; W676-L831 HydrophobicContact CB-CD2 4.22Å; W676-L831 HydrophobicContact CB-CG 4.26Å; W676-D872 PolarHBondContact N-O 3.36Å; W676-I873 HydrophobicContact CE3-CG2 4Å; W676-I873 HydrophobicContact CZ3-CG2 4.24Å; W676-R874 PolarHBondContact O-N 3.49Å; W676-T875 HydrophobicContact CZ3-CG2 4.12Å
677	S	95	Very high	80.4	Confident	78 Å²	78	81.9 Å²	81.9	55%	0.545	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.4	175.3	-61.7	0	0	0	0	110.1	R874	S677-R874 VanDerWaalsContact CA-O 3.31Å; S677-R874 WeakPolarHBondContact CA-O 3.32Å
678	G	88.8	Confident	80.3	Confident	27 Å²	27	82.5 Å²	82.5	28%	0.278	44%	0.437	S	S	.	.			trans	-172.8	171.7	-179.5	0	0	0	0	0	113.9	W676 R874	W676-G678 VanDerWaalsContact CH2-CA 3.5Å; G678-R874 PolarHBondContact N-O 3.33Å
679	K	85.2	Confident	80.8	Confident	194 Å²	194	78.7 Å²	78.7	84%	0.843	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-91.2	133.6	174.3	-67.5	-179	-178.1	175.4	0	109.1
680	L	80	Confident	81.4	Confident	27 Å²	27	75.9 Å²	75.9	14%	0.141	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-77.5	132.4	174.1	-59	173.4	0	0	0	109.2	L818 I823 T875 K877 F878	L680-L818 HydrophobicContact CD1-CB 4.4Å; L680-I823 HydrophobicContact CD2-CD1 4.18Å; L680-I823 HydrophobicContact CD2-CG2 3.84Å; L680-T875 HydrophobicContact CD1-CG2 4.13Å; L680-T875 HydrophobicContact CD2-CG2 3.9Å; L680-T875 HydrophobicContact CG-CG2 3.9Å; L680-K877 HydrophobicContact CD1-CD 4.46Å; L680-F878 HydrophobicContact CD1-CD1 4.29Å; L680-F878 HydrophobicContact CD1-CE1 3.56Å; L680-F878 HydrophobicContact CD1-CZ 4.36Å
681	P	74.4	Confident	82.1	Confident	78 Å²	78	74.2 Å²	74.2	51%	0.506	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-53.4	142.7	172.8	-25.7	34.2	0	0	0	111.9	I823	P681-I823 HydrophobicContact CG-CG1 4.34Å
682	I	69.1	Low	82.9	Confident	146 Å²	146	74.1 Å²	74.1	75%	0.749	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-76	125.2	172.7	-59.8	174.7	0	0	0	107.4
683	R	70.7	Confident	83.5	Confident	64 Å²	64	75.5 Å²	75.5	24%	0.242	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-79	137.7	178.4	-57.4	-168.9	-166.6	-167.6	12.3	110	D793 L818 T820	R683-D793 IonicContact CZ-OD2 2.76Å; R683-D793 IonicContact NE-OD2 2.63Å; R683-D793 IonicContact NH1-OD2 2.77Å; R683-D793 PolarHBondContact NH1-OD2 3.16Å; R683-L818 VanDerWaalsContact NH2-C 3.32Å; R683-L818 PolarHBondContact NH2-O 3.42Å; R683-T820 VanDerWaalsContact NH2-CG2 3.29Å
684	V	66	Low	83.8	Confident	90 Å²	90	72.5 Å²	72.5	55%	0.545	37%	0.37	S	S	.	.			trans	-120.2	109.6	174.5	-178.3	0	0	0	0	108	R686 M688	V684-R686 VanDerWaalsContact C-N 3.29Å; V684-R686 HydrophobicContact CG1-CG 4.06Å; V684-R686 PolarHBondContact O-N 2.87Å; V684-M688 WeakPolarHBondContact O-CE 3.41Å
685	H	70.5	Confident	83.9	Confident	45 Å²	45	70.4 Å²	70.4	21%	0.208	36%	0.362	C	S	.	.			trans	-85.9	24.4	-168	-58.8	-56.7	0	0	0	115.4	S687 F690 E770 V790	H685-S687 PolarHBondContact O-N 2.82Å; H685-F690 HydrophobicContact CB-CE1 4.29Å; H685-F690 HydrophobicContact CB-CZ 4.15Å; H685-E770 IonicContact CD2-OE1 3.05Å; H685-V790 WeakPolarHBondContact ND1-CG2 3.49Å
686	R	61.6	Low	83.9	Confident	211 Å²	211	67.7 Å²	67.7	80%	0.796	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	123.2	-171.8	-68.3	-177	-176	164.1	1.8	111.3	V684	V684-R686 VanDerWaalsContact C-N 3.29Å; V684-R686 HydrophobicContact CG1-CG 4.06Å; V684-R686 PolarHBondContact O-N 2.87Å
687	S	64.1	Low	83.7	Confident	138 Å²	138	66.7 Å²	66.7	97%	0.965	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	45.5	173.8	-52.8	0	0	0	0	114.5	H685	H685-S687 PolarHBondContact O-N 2.82Å
688	M	80.1	Confident	83.6	Confident	69 Å²	69	65.5 Å²	65.5	34%	0.34	35%	0.347	S	S	.	.			trans	-112.1	154.6	-177.8	-69.3	174.3	175.1	0	0	112	V684 F690 V790	V684-M688 WeakPolarHBondContact O-CE 3.41Å; M688-F690 HydrophobicContact CB-CZ 4.46Å; M688-F690 WeakPolarHBondContact O-CD2 3.38Å; M688-F690 WeakPolarHBondContact O-CE2 3.39Å; M688-V790 HydrophobicContact CB-CG1 3.9Å; M688-V790 HydrophobicContact CB-CG2 4.18Å; M688-V790 HydrophobicContact CG-CG1 4.14Å; M688-V790 HydrophobicContact SD-CB 4.31Å; M688-V790 HydrophobicContact SD-CG1 3.69Å; M688-V790 HydrophobicContact SD-CG2 3.68Å
689	T	92.2	Very high	83.7	Confident	76 Å²	76	64.4 Å²	64.4	47%	0.466	34%	0.335	S	S	.	.			trans	-83.2	131.3	171.8	36	0	0	0	0	111.5	E751 I791	T689-E751 WeakPolarHBondContact CA-OE1 3.26Å; T689-E751 VanDerWaalsContact CB-OE1 3.31Å; T689-E751 WeakPolarHBondContact CB-OE1 3.39Å; T689-E751 WeakPolarHBondContact CG2-OE1 3.48Å; T689-I791 PolarHBondContact O-N 2.62Å
690	F	94.7	Very high	83.9	Confident	11 Å²	11	55.4 Å²	55.4	5%	0.048	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-108.9	147	-172.7	-63.5	-70.3	0	0	0	113.2	H685 M688 E751 V754 L758 P788 W789 V790 I791	H685-F690 HydrophobicContact CB-CE1 4.29Å; H685-F690 HydrophobicContact CB-CZ 4.15Å; M688-F690 HydrophobicContact CB-CZ 4.46Å; M688-F690 WeakPolarHBondContact O-CD2 3.38Å; M688-F690 WeakPolarHBondContact O-CE2 3.39Å; F690-E751 HydrophobicContact CB-CG 4.39Å; F690-E751 PolarHBondContact N-OE1 3.17Å; F690-E751 WeakPolarHBondContact O-CG 3.44Å; F690-V754 HydrophobicContact CB-CB 4.34Å; F690-V754 HydrophobicContact CB-CG1 3.93Å; F690-V754 HydrophobicContact CD2-CG1 4.47Å; F690-V754 HydrophobicContact CG-CG1 4.18Å; F690-L758 HydrophobicContact CD1-CD1 4.38Å; F690-L758 HydrophobicContact CD2-CD1 4.28Å; F690-L758 HydrophobicContact CE1-CD1 3.83Å; F690-L758 HydrophobicContact CE2-CD1 3.73Å; F690-L758 HydrophobicContact CZ-CD1 3.47Å; F690-L758 VanDerWaalsContact CZ-CD1 3.47Å; F690-P788 HydrophobicContact CD1-CB 3.8Å; F690-P788 HydrophobicContact CD1-CG 4.42Å; F690-P788 HydrophobicContact CE1-CB 4.01Å; F690-P788 HydrophobicContact CE1-CG 4.13Å; F690-W789 CarbonylContact C-O 3.58Å; F690-W789 WeakPolarHBondContact CA-O 3.46Å; F690-V790 HydrophobicContact CD1-CG2 4.02Å; F690-V790 HydrophobicContact CE1-CG2 3.69Å; F690-I791 WeakPolarHBondContact O-CD1 3.33Å
691	S	96	Very high	84	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.007	32%	0.323	C	S	.	.			trans	-63.3	139.8	164	178.8	0	0	0	0	109.5	K693 W789 Y845	S691-K693 PolarHBondContact O-N 3.16Å; S691-K693 VanDerWaalsContact O-N 3.15Å; S691-K693 PolarHBondContact OG-N 3.47Å; S691-K693 VanDerWaalsContact OG-N 3.11Å; S691-K693 PolarHBondContact OG-O 2.95Å; S691-W789 PolarHBondContact N-O 3.18Å; S691-Y845 WeakPolarHBondContact CB-O 3.21Å; S691-Y845 PolarHBondContact OG-O 3.16Å
692	R	97	Very high	84.4	Confident	92 Å²	92	61.1 Å²	61.1	35%	0.347	31%	0.309	S	S	.	.	S	Bend	trans	-63.5	-15.1	170.3	-66.3	-171.7	-67.8	173.2	-0.8	113.4	V747 F748 E749	R692-V747 WeakPolarHBondContact O-CA 3.37Å; R692-F748 WeakPolarHBondContact CB-O 3.47Å; R692-F748 PolarHBondContact O-N 3.4Å; R692-E749 WeakPolarHBondContact CD-O 3.47Å; R692-E749 PolarHBondContact NH1-O 2.84Å
693	K	96.7	Very high	85.3	Confident	36 Å²	36	54.2 Å²	54.2	16%	0.157	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129	177.1	-179.7	167.9	168.2	-173.7	0	109.7	S691 Y745 L746 V747 D843 Y845 Y847	S691-K693 PolarHBondContact O-N 3.16Å; S691-K693 VanDerWaalsContact O-N 3.15Å; S691-K693 PolarHBondContact OG-N 3.47Å; S691-K693 VanDerWaalsContact OG-N 3.11Å; S691-K693 PolarHBondContact OG-O 2.95Å; K693-Y745 HydrophobicContact CG-CD1 4.29Å; K693-L746 CarbonylContact C-O 3.59Å; K693-L746 VanDerWaalsContact CA-O 3.27Å; K693-L746 WeakPolarHBondContact CA-O 3.35Å; K693-V747 HydrophobicContact CB-CG2 4.15Å; K693-V747 HydrophobicContact CD-CG2 4.12Å; K693-V747 HydrophobicContact CG-CG2 3.92Å; K693-D843 WeakPolarHBondContact CD-OD2 3.31Å; K693-D843 IonicContact NZ-OD2 3.98Å; K693-D843 PolarHBondContact NZ-OD2 3.01Å; K693-Y845 HydrophobicContact CB-CD2 4.46Å; K693-Y845 HydrophobicContact CB-CG 4.35Å; K693-Y845 HydrophobicContact CD-CD2 4.09Å; K693-Y847 HydrophobicContact CB-CD2 3.83Å; K693-Y847 HydrophobicContact CB-CG 4.09Å; K693-Y847 HydrophobicContact CD-CD1 4.23Å; K693-Y847 HydrophobicContact CD-CD2 4.34Å; K693-Y847 HydrophobicContact CD-CG 3.89Å; K693-Y847 HydrophobicContact CG-CD1 4.46Å; K693-Y847 HydrophobicContact CG-CD2 3.81Å; K693-Y847 HydrophobicContact CG-CE2 4.3Å; K693-Y847 HydrophobicContact CG-CG 3.9Å; K693-Y847 WeakPolarHBondContact O-CD2 3.48Å; K693-Y847 VanDerWaalsContact O-CE2 3.3Å; K693-Y847 WeakPolarHBondContact O-CE2 3.25Å
694	V	95.4	Very high	86.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.8	-172.9	-179.2	0	0	0	0	108.7	Y745 L746 V754 V786	V694-Y745 CarbonylContact O-C 3.59Å; V694-Y745 VanDerWaalsContact O-CA 3.3Å; V694-Y745 WeakPolarHBondContact O-CA 3.4Å; V694-L746 HydrophobicContact CB-CB 4.43Å; V694-L746 PolarHBondContact N-O 3.4Å; V694-L746 PolarHBondContact O-N 3.33Å; V694-V754 HydrophobicContact CG2-CB 4.37Å; V694-V754 HydrophobicContact CG2-CG1 3.71Å; V694-V754 HydrophobicContact CG2-CG2 3.74Å; V694-V786 HydrophobicContact CG1-CG1 3.67Å
695	F	94.5	Very high	87.4	Confident	13 Å²	13	51 Å²	51	6%	0.057	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	136.1	173.7	173.5	-84	0	0	0	110.1	A88 Y743 Y745 I787 Y847	A88-F695 HydrophobicContact CB-CD2 4.09Å; A88-F695 HydrophobicContact CB-CE2 3.6Å; A88-F695 HydrophobicContact CB-CZ 4.06Å; A88-F695 WeakPolarHBondContact O-CE2 3.24Å; A88-F695 VanDerWaalsContact O-CZ 3.24Å; A88-F695 WeakPolarHBondContact O-CZ 3.45Å; F695-Y743 HydrophobicContact CD2-CD2 4.43Å; F695-Y743 AromaticContact CE2-CD2 3.5Å; F695-Y743 HydrophobicContact CE2-CD2 3.5Å; F695-Y743 HydrophobicContact CE2-CE2 4.29Å; F695-Y743 AromaticContact CE2-CG 3.99Å; F695-Y743 HydrophobicContact CE2-CG 3.99Å; F695-Y743 HydrophobicContact CZ-CD2 4.07Å; F695-Y743 HydrophobicContact CZ-CG 4.08Å; F695-Y745 HydrophobicContact CB-CD1 4.39Å; F695-Y745 HydrophobicContact CB-CE1 4.32Å; F695-Y745 HydrophobicContact CD2-CD1 4.47Å; F695-Y745 AromaticContact CD2-CE1 3.93Å; F695-Y745 HydrophobicContact CD2-CE1 3.93Å; F695-I787 HydrophobicContact CB-CB 4.2Å; F695-I787 HydrophobicContact CD1-CB 4.08Å; F695-I787 HydrophobicContact CD1-CD1 3.71Å; F695-I787 HydrophobicContact CD1-CG1 3.99Å; F695-I787 HydrophobicContact CE1-CD1 4.01Å; F695-I787 PolarHBondContact N-O 3.06Å; F695-I787 PolarHBondContact O-N 2.85Å; F695-Y847 WeakPolarHBondContact CB-OH 3.45Å
696	L	94.5	Very high	88.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	112.1	177.3	-164.2	72.7	0	0	0	109.6	V699 L708 F712 Y743 C744 L746 V784 Q785 V786	L696-V699 HydrophobicContact CB-CG2 4.23Å; L696-V699 HydrophobicContact CD2-CG2 3.69Å; L696-V699 HydrophobicContact CG-CG2 3.75Å; L696-L708 HydrophobicContact CD2-CD2 4.28Å; L696-F712 HydrophobicContact CD1-CE2 4.48Å; L696-F712 HydrophobicContact CD1-CZ 3.88Å; L696-F712 HydrophobicContact CD2-CE2 3.53Å; L696-F712 HydrophobicContact CD2-CZ 3.76Å; L696-Y743 CarbonylContact O-C 3.4Å; L696-Y743 WeakPolarHBondContact O-CA 3.31Å; L696-Y743 VanDerWaalsContact O-CB 3.3Å; L696-Y743 WeakPolarHBondContact O-CB 3.46Å; L696-C744 PolarHBondContact N-O 3.43Å; L696-C744 PolarHBondContact O-N 3.19Å; L696-L746 HydrophobicContact CB-CG 4.41Å; L696-L746 HydrophobicContact CD1-CD1 4.4Å; L696-L746 HydrophobicContact CD2-CD1 4.33Å; L696-L746 HydrophobicContact CD2-CD2 4.31Å; L696-L746 HydrophobicContact CD2-CG 4.38Å; L696-V784 HydrophobicContact CD1-CB 4.03Å; L696-V784 HydrophobicContact CD1-CG2 3.71Å; L696-V784 HydrophobicContact CD2-CG2 4.36Å; L696-V784 HydrophobicContact CG-CB 4.16Å; L696-V784 HydrophobicContact CG-CG2 4.21Å; L696-Q785 CarbonylContact C-O 3.57Å; L696-Q785 WeakPolarHBondContact CA-O 3.48Å; L696-V786 HydrophobicContact CD1-CG2 3.81Å
697	G	92.3	Very high	89.9	Confident	5 Å²	5	45.5 Å²	45.5	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	161.7	179.8	0	0	0	0	0	113	V699 V784 Q785	G697-V699 PolarHBondContact O-N 2.93Å; G697-V784 CarbonylContact O-C 3.56Å; G697-V784 WeakPolarHBondContact O-CA 3.44Å; G697-V784 WeakPolarHBondContact O-CB 3.26Å; G697-Q785 PolarHBondContact N-O 3.24Å; G697-Q785 PolarHBondContact O-N 3.17Å
698	G	90.9	Very high	91.3	Very high	52 Å²	52	39 Å²	39	54%	0.536	20%	0.201	S	C	.	.	S	Bend	trans	74.2	14.4	-178.9	0	0	0	0	0	114	G742	G698-G742 PolarHBondContact N-O 3.35Å
699	V	92	Very high	92.1	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.024	20%	0.199	C	C	.	.			trans	-64	130.1	-178.6	-178.6	0	0	0	0	109.4	L696 G697 W701 S703 L708 W722 G742 V784	L696-V699 HydrophobicContact CB-CG2 4.23Å; L696-V699 HydrophobicContact CD2-CG2 3.69Å; L696-V699 HydrophobicContact CG-CG2 3.75Å; G697-V699 PolarHBondContact O-N 2.93Å; V699-W701 PolarHBondContact O-N 3.47Å; V699-S703 WeakPolarHBondContact CG1-OG 3.41Å; V699-L708 HydrophobicContact CG1-CD1 3.96Å; V699-L708 HydrophobicContact CG1-CD2 4.12Å; V699-W722 HydrophobicContact CG1-CH2 3.91Å; V699-W722 HydrophobicContact CG1-CZ3 4.45Å; V699-G742 PolarHBondContact N-O 3.08Å; V699-G742 WeakPolarHBondContact O-CA 3.47Å; V699-V784 HydrophobicContact CG2-CG1 4.2Å
700	P	88.6	Confident	92.1	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.032	21%	0.207	C	C	.	.			trans	-48.9	132.6	172.9	-10.8	7.5	0	0	0	111.3	D702 S703 I774 F779 K782	P700-D702 WeakPolarHBondContact CB-OD1 3.23Å; P700-D702 PolarHBondContact O-N 3.5Å; P700-D702 VanDerWaalsContact O-N 3.09Å; P700-S703 WeakPolarHBondContact CB-OG 3.5Å; P700-S703 VanDerWaalsContact CD-OG 3.29Å; P700-S703 WeakPolarHBondContact CD-OG 3.39Å; P700-S703 WeakPolarHBondContact CG-OG 3.32Å; P700-S703 VanDerWaalsContact O-CB 3.23Å; P700-S703 WeakPolarHBondContact O-CB 3.43Å; P700-S703 PolarHBondContact O-N 2.61Å; P700-S703 PolarHBondContact O-OG 2.83Å; P700-I774 HydrophobicContact CG-CD1 4.08Å; P700-F779 HydrophobicContact CB-CD1 4.05Å; P700-F779 HydrophobicContact CB-CE1 3.87Å; P700-F779 HydrophobicContact CB-CZ 4.48Å; P700-F779 HydrophobicContact CG-CD1 3.85Å; P700-F779 HydrophobicContact CG-CD2 4.44Å; P700-F779 HydrophobicContact CG-CE1 3.35Å; P700-F779 HydrophobicContact CG-CE2 4.04Å; P700-F779 HydrophobicContact CG-CG 4.37Å; P700-F779 HydrophobicContact CG-CZ 3.49Å; P700-F779 VanDerWaalsContact CG-CZ 3.49Å; P700-K782 HydrophobicContact CB-CD 4.22Å; P700-K782 HydrophobicContact CG-CD 3.89Å
701	W	83.5	Confident	92.1	Very high	185 Å²	185	42.6 Å²	42.6	70%	0.701	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21	-177.6	53.3	-94.7	0	0	0	113.6	V699 S739	V699-W701 PolarHBondContact O-N 3.47Å; W701-S739 PolarHBondContact O-OG 3.13Å
702	D	82.9	Confident	92.1	Very high	41 Å²	41	42.6 Å²	42.6	22%	0.219	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	4.9	177.5	65.2	-42.4	0	0	0	114.3	P700 K778	P700-D702 WeakPolarHBondContact CB-OD1 3.23Å; P700-D702 PolarHBondContact O-N 3.5Å; P700-D702 VanDerWaalsContact O-N 3.09Å; D702-K778 PolarHBondContact O-NZ 3.01Å; D702-K778 VanDerWaalsContact O-NZ 3.11Å
703	S	87.8	Confident	92.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	21%	0.214	C	C	.	.			trans	-68	133	176.4	-52.5	0	0	0	0	110.5	V699 P700	V699-S703 WeakPolarHBondContact CG1-OG 3.41Å; P700-S703 WeakPolarHBondContact CB-OG 3.5Å; P700-S703 VanDerWaalsContact CD-OG 3.29Å; P700-S703 WeakPolarHBondContact CD-OG 3.39Å; P700-S703 WeakPolarHBondContact CG-OG 3.32Å; P700-S703 VanDerWaalsContact O-CB 3.23Å; P700-S703 WeakPolarHBondContact O-CB 3.43Å; P700-S703 PolarHBondContact O-N 2.61Å; P700-S703 PolarHBondContact O-OG 2.83Å
704	T	89	Confident	92.1	Very high	52 Å²	52	47 Å²	47	32%	0.319	24%	0.235	S	C	.	.			trans	-96.6	160.7	171.5	80.8	0	0	0	0	111.1	E706 E707 L708	T704-E706 WeakPolarHBondContact CB-OE2 3.4Å; T704-E706 PolarHBondContact O-N 3.01Å; T704-E706 PolarHBondContact OG1-N 2.83Å; T704-E706 PolarHBondContact OG1-OE2 3.47Å; T704-E707 WeakPolarHBondContact O-CB 3.48Å; T704-E707 PolarHBondContact O-N 3.4Å; T704-E707 PolarHBondContact OG1-N 3.5Å; T704-L708 PolarHBondContact O-N 3Å
705	S	92	Very high	92.2	Very high	35 Å²	35	47.3 Å²	47.3	25%	0.245	24%	0.236	C	C	.	.	H	α-helix	trans	-56.6	-40.9	174.6	-57.7	0	0	0	0	111.6	E707 L708 V709 W722	S705-E707 VanDerWaalsContact C-N 3.33Å; S705-E707 PolarHBondContact O-N 3.45Å; S705-L708 PolarHBondContact O-N 3.45Å; S705-V709 WeakPolarHBondContact O-CB 3.5Å; S705-V709 VanDerWaalsContact O-CG2 3.24Å; S705-V709 WeakPolarHBondContact O-CG2 3.04Å; S705-V709 PolarHBondContact O-N 3.31Å; S705-W722 PolarHBondContact OG-NE1 3.37Å
706	E	92.1	Very high	92.3	Very high	123 Å²	123	47.7 Å²	47.7	58%	0.575	24%	0.244	S	C	*	.	H	α-helix	trans	-66.7	-36.3	-177.9	-56	70.5	-149.7	0	0	111.9	T704 R710	T704-E706 WeakPolarHBondContact CB-OE2 3.4Å; T704-E706 PolarHBondContact O-N 3.01Å; T704-E706 PolarHBondContact OG1-N 2.83Å; T704-E706 PolarHBondContact OG1-OE2 3.47Å; E706-R710 WeakPolarHBondContact O-CB 3.39Å; E706-R710 PolarHBondContact O-N 3.4Å
707	E	91.9	Very high	92.4	Very high	17 Å²	17	53 Å²	53	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-44.5	177.3	-171.6	177.7	155.2	0	0	111.3	T704 S705 R710 A711 S776 K778 F779	T704-E707 WeakPolarHBondContact O-CB 3.48Å; T704-E707 PolarHBondContact O-N 3.4Å; T704-E707 PolarHBondContact OG1-N 3.5Å; S705-E707 VanDerWaalsContact C-N 3.33Å; S705-E707 PolarHBondContact O-N 3.45Å; E707-R710 PolarHBondContact O-N 3.02Å; E707-A711 PolarHBondContact O-N 3.38Å; E707-S776 WeakPolarHBondContact OE1-CB 3.37Å; E707-S776 PolarHBondContact OE1-OG 3.44Å; E707-K778 IonicContact OE2-NZ 2.94Å; E707-K778 PolarHBondContact OE2-NZ 3.36Å; E707-F779 WeakPolarHBondContact OE1-CE1 3.3Å; E707-F779 WeakPolarHBondContact OE1-CZ 3.47Å
708	L	94	Very high	92.6	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-68.9	-43.5	176	-65.1	171.2	0	0	0	111.5	L696 V699 T704 S705 R710 A711 F712 V720 W722 I774	L696-L708 HydrophobicContact CD2-CD2 4.28Å; V699-L708 HydrophobicContact CG1-CD1 3.96Å; V699-L708 HydrophobicContact CG1-CD2 4.12Å; T704-L708 PolarHBondContact O-N 3Å; S705-L708 PolarHBondContact O-N 3.45Å; L708-R710 VanDerWaalsContact C-N 3.28Å; L708-R710 PolarHBondContact O-N 3Å; L708-A711 WeakPolarHBondContact O-CB 3.28Å; L708-A711 PolarHBondContact O-N 3.42Å; L708-A711 VanDerWaalsContact O-N 3.09Å; L708-F712 HydrophobicContact CD2-CE2 4.2Å; L708-F712 WeakPolarHBondContact O-CD2 3.2Å; L708-F712 PolarHBondContact O-N 3.44Å; L708-V720 HydrophobicContact CB-CG2 3.81Å; L708-V720 HydrophobicContact CD1-CG1 4.05Å; L708-W722 HydrophobicContact CD1-CH2 3.83Å; L708-W722 HydrophobicContact CD1-CZ2 3.63Å; L708-I774 HydrophobicContact CD2-CD1 4.01Å
709	V	95.5	Very high	92.9	Very high	49 Å²	49	53.9 Å²	53.9	30%	0.297	27%	0.268	S	S	.	.	H	α-helix	trans	-55.8	-45.9	173.5	169.3	0	0	0	0	110.2	S705 A711 F712 S713 V718 V720	S705-V709 WeakPolarHBondContact O-CB 3.5Å; S705-V709 VanDerWaalsContact O-CG2 3.24Å; S705-V709 WeakPolarHBondContact O-CG2 3.04Å; S705-V709 PolarHBondContact O-N 3.31Å; V709-A711 VanDerWaalsContact C-N 3.33Å; V709-A711 PolarHBondContact O-N 3.2Å; V709-F712 PolarHBondContact O-N 2.86Å; V709-S713 WeakPolarHBondContact O-CB 3.15Å; V709-S713 PolarHBondContact O-N 3.07Å; V709-S713 PolarHBondContact O-OG 2.66Å; V709-V718 HydrophobicContact CB-CG1 4.49Å; V709-V718 HydrophobicContact CG1-CG1 4.24Å; V709-V720 HydrophobicContact CG2-CB 4.45Å; V709-V720 HydrophobicContact CG2-CG2 3.68Å
710	R	93.9	Very high	93	Very high	168 Å²	168	54.7 Å²	54.7	63%	0.634	27%	0.273	S	S	*	.	H	α-helix	trans	-63.2	-37	176.9	-168.7	-172	-57.9	123.7	3	112.8	E706 E707 L708 S713	E706-R710 WeakPolarHBondContact O-CB 3.39Å; E706-R710 PolarHBondContact O-N 3.4Å; E707-R710 PolarHBondContact O-N 3.02Å; L708-R710 VanDerWaalsContact C-N 3.28Å; L708-R710 PolarHBondContact O-N 3Å; R710-S713 PolarHBondContact O-OG 2.9Å
711	A	93.6	Very high	93.2	Very high	14 Å²	14	57.1 Å²	57.1	12%	0.116	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-43	178.8	0	0	0	0	0	111.8	E707 L708 V709 R714 I774	E707-A711 PolarHBondContact O-N 3.38Å; L708-A711 WeakPolarHBondContact O-CB 3.28Å; L708-A711 PolarHBondContact O-N 3.42Å; L708-A711 VanDerWaalsContact O-N 3.09Å; V709-A711 VanDerWaalsContact C-N 3.33Å; V709-A711 PolarHBondContact O-N 3.2Å; A711-R714 PolarHBondContact O-NE 2.89Å; A711-I774 HydrophobicContact CB-CG2 4.16Å
712	F	96.6	Very high	93.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-97.6	-12	-171.8	-67.7	-72.7	0	0	0	115	L696 L708 V709 R714 F715 V718 L746 F748 L757 Y772 I774 V784	L696-F712 HydrophobicContact CD1-CE2 4.48Å; L696-F712 HydrophobicContact CD1-CZ 3.88Å; L696-F712 HydrophobicContact CD2-CE2 3.53Å; L696-F712 HydrophobicContact CD2-CZ 3.76Å; L708-F712 HydrophobicContact CD2-CE2 4.2Å; L708-F712 WeakPolarHBondContact O-CD2 3.2Å; L708-F712 PolarHBondContact O-N 3.44Å; V709-F712 PolarHBondContact O-N 2.86Å; F712-R714 PolarHBondContact O-N 3.3Å; F712-F715 HydrophobicContact CD1-CD2 4.14Å; F712-F715 AromaticContact CD1-CE2 3.98Å; F712-F715 HydrophobicContact CD1-CE2 3.98Å; F712-F715 WeakPolarHBondContact O-CD2 3.4Å; F712-F715 PolarHBondContact O-N 2.85Å; F712-F715 VanDerWaalsContact O-N 3.1Å; F712-V718 HydrophobicContact CB-CG1 4.11Å; F712-L746 HydrophobicContact CB-CD1 4.36Å; F712-L746 HydrophobicContact CD1-CD1 3.78Å; F712-L746 HydrophobicContact CD2-CD1 3.72Å; F712-L746 HydrophobicContact CD2-CD2 3.95Å; F712-L746 HydrophobicContact CE1-CD1 3.96Å; F712-L746 HydrophobicContact CE2-CD1 3.93Å; F712-L746 HydrophobicContact CE2-CD2 4.36Å; F712-L746 HydrophobicContact CG-CD1 3.68Å; F712-L746 HydrophobicContact CZ-CD1 4.04Å; F712-F748 HydrophobicContact CB-CZ 4.34Å; F712-L757 HydrophobicContact CD1-CD1 3.93Å; F712-L757 HydrophobicContact CD1-CD2 4.47Å; F712-L757 HydrophobicContact CE1-CD1 3.8Å; F712-Y772 HydrophobicContact CD1-CD1 4.4Å; F712-Y772 HydrophobicContact CD1-CE1 4.46Å; F712-Y772 AromaticContact CE1-CD1 3.49Å; F712-Y772 HydrophobicContact CE1-CD1 3.49Å; F712-Y772 VanDerWaalsContact CE1-CD1 3.49Å; F712-Y772 AromaticContact CE1-CE1 3.95Å; F712-Y772 HydrophobicContact CE1-CE1 3.95Å; F712-Y772 HydrophobicContact CE1-CG 4.16Å; F712-Y772 AromaticContact CZ-CD1 3.86Å; F712-Y772 HydrophobicContact CZ-CD1 3.86Å; F712-Y772 HydrophobicContact CZ-CE1 4.44Å; F712-I774 HydrophobicContact CE2-CG2 4.08Å; F712-I774 HydrophobicContact CZ-CG2 3.84Å; F712-V784 HydrophobicContact CZ-CG2 4.19Å
713	S	96.5	Very high	93.4	Very high	61 Å²	61	50 Å²	50	43%	0.427	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-60.8	-17.8	179.4	62.2	0	0	0	0	114	V709 R710 F715 G716	V709-S713 WeakPolarHBondContact O-CB 3.15Å; V709-S713 PolarHBondContact O-N 3.07Å; V709-S713 PolarHBondContact O-OG 2.66Å; R710-S713 PolarHBondContact O-OG 2.9Å; S713-F715 PolarHBondContact O-N 3.24Å; S713-G716 WeakPolarHBondContact CA-O 3.41Å; S713-G716 PolarHBondContact O-N 2.85Å; S713-G716 VanDerWaalsContact O-N 3.17Å
714	R	96.2	Very high	92.3	Very high	160 Å²	160	58 Å²	58	60%	0.604	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-62	-24.6	175.3	71.9	-179.4	73.5	-165.4	1.5	113.6	A711 F712 Y772	A711-R714 PolarHBondContact O-NE 2.89Å; F712-R714 PolarHBondContact O-N 3.3Å; R714-Y772 VanDerWaalsContact CZ-OH 3.25Å; R714-Y772 PolarHBondContact NE-OH 3.34Å; R714-Y772 PolarHBondContact NH1-OH 2.84Å
715	F	97.2	Very high	90.4	Very high	6 Å²	6	64.1 Å²	64.1	3%	0.026	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-93.4	-8.4	179	-51.5	-63.6	0	0	0	112.3	F712 S713 F748 S753 E756 L757 N760 Y772	F712-F715 HydrophobicContact CD1-CD2 4.14Å; F712-F715 AromaticContact CD1-CE2 3.98Å; F712-F715 HydrophobicContact CD1-CE2 3.98Å; F712-F715 WeakPolarHBondContact O-CD2 3.4Å; F712-F715 PolarHBondContact O-N 2.85Å; F712-F715 VanDerWaalsContact O-N 3.1Å; S713-F715 PolarHBondContact O-N 3.24Å; F715-F748 HydrophobicContact CB-CE1 4.14Å; F715-F748 HydrophobicContact CB-CZ 4.46Å; F715-S753 VanDerWaalsContact O-CA 3.25Å; F715-S753 WeakPolarHBondContact O-CA 3.4Å; F715-S753 WeakPolarHBondContact O-CB 3.39Å; F715-S753 PolarHBondContact O-OG 2.86Å; F715-E756 HydrophobicContact CD1-CB 4.26Å; F715-E756 HydrophobicContact CD1-CG 3.92Å; F715-L757 HydrophobicContact CD1-CB 4.43Å; F715-L757 HydrophobicContact CD2-CB 3.99Å; F715-L757 HydrophobicContact CD2-CD1 3.9Å; F715-L757 HydrophobicContact CD2-CG 4.49Å; F715-L757 HydrophobicContact CE2-CB 4.3Å; F715-L757 HydrophobicContact CE2-CD1 3.48Å; F715-L757 VanDerWaalsContact CE2-CD1 3.48Å; F715-L757 HydrophobicContact CE2-CG 4.48Å; F715-L757 HydrophobicContact CG-CB 4.05Å; F715-L757 HydrophobicContact CZ-CD1 3.97Å; F715-N760 HydrophobicContact CE1-CB 3.83Å; F715-N760 HydrophobicContact CZ-CB 4Å; F715-Y772 HydrophobicContact CE2-CE1 4.4Å; F715-Y772 HydrophobicContact CE2-CE2 4.16Å; F715-Y772 AromaticContact CE2-CZ 3.96Å; F715-Y772 HydrophobicContact CZ-CD2 4.44Å; F715-Y772 AromaticContact CZ-CE2 3.68Å; F715-Y772 HydrophobicContact CZ-CE2 3.68Å; F715-Y772 AromaticContact CZ-CZ 3.81Å
716	G	96.8	Very high	88.1	Confident	21 Å²	21	69.6 Å²	69.6	22%	0.216	34%	0.343	C	S	.	.	S	Bend	trans	136.7	178.1	-177.8	0	0	0	0	0	113.2	S713 V718	S713-G716 WeakPolarHBondContact CA-O 3.41Å; S713-G716 PolarHBondContact O-N 2.85Å; S713-G716 VanDerWaalsContact O-N 3.17Å; G716-V718 PolarHBondContact O-N 3.24Å
717	N	97	Very high	85.3	Confident	111 Å²	111	67.2 Å²	67.2	59%	0.594	35%	0.351	S	S	*	.			trans	-62.4	123	-179.5	-69.4	-11.7	0	0	0	110.6	F748 E749	N717-F748 CarbonylContact O-C 3.55Å; N717-F748 VanDerWaalsContact O-CA 3.32Å; N717-F748 WeakPolarHBondContact O-CA 3.39Å; N717-E749 HydrophobicContact CB-CB 4Å; N717-E749 WeakPolarHBondContact CB-OE2 3.4Å; N717-E749 PolarHBondContact ND2-OE2 3.42Å; N717-E749 PolarHBondContact O-N 3.13Å
718	V	97.6	Very high	82.4	Confident	21 Å²	21	71.7 Å²	71.7	13%	0.127	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.4	-173.1	65.8	0	0	0	0	111.4	V709 F712 G716 L746 V747 F748	V709-V718 HydrophobicContact CB-CG1 4.49Å; V709-V718 HydrophobicContact CG1-CG1 4.24Å; F712-V718 HydrophobicContact CB-CG1 4.11Å; G716-V718 PolarHBondContact O-N 3.24Å; V718-L746 HydrophobicContact CG2-CB 4.02Å; V718-L746 HydrophobicContact CG2-CD2 4.25Å; V718-V747 WeakPolarHBondContact CA-O 3.28Å; V718-F748 HydrophobicContact CB-CD1 3.78Å; V718-F748 HydrophobicContact CB-CE1 3.66Å; V718-F748 HydrophobicContact CB-CZ 4.3Å; V718-F748 HydrophobicContact CG2-CD1 4.03Å; V718-F748 HydrophobicContact CG2-CD2 4.48Å; V718-F748 HydrophobicContact CG2-CE1 3.83Å; V718-F748 HydrophobicContact CG2-CE2 4.3Å; V718-F748 HydrophobicContact CG2-CG 4.37Å; V718-F748 HydrophobicContact CG2-CZ 3.98Å
719	S	96.5	Very high	79.6	Confident	55 Å²	55	77.3 Å²	77.3	39%	0.385	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.3	168.3	59.8	0	0	0	0	110.3	V747	S719-V747 PolarHBondContact N-O 3.3Å; S719-V747 PolarHBondContact O-N 2.85Å; S719-V747 WeakPolarHBondContact OG-CB 3.13Å; S719-V747 PolarHBondContact OG-O 3.5Å
720	V	94.9	Very high	76.8	Confident	21 Å²	21	79.2 Å²	79.2	13%	0.127	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124	-178.4	177.2	0	0	0	0	108.8	L708 V709 W722 C744 Y745 L746	L708-V720 HydrophobicContact CB-CG2 3.81Å; L708-V720 HydrophobicContact CD1-CG1 4.05Å; V709-V720 HydrophobicContact CG2-CB 4.45Å; V709-V720 HydrophobicContact CG2-CG2 3.68Å; V720-W722 HydrophobicContact CG1-CZ2 4.4Å; V720-C744 HydrophobicContact CG1-CB 4.12Å; V720-Y745 WeakPolarHBondContact CA-O 3.49Å; V720-L746 HydrophobicContact CG2-CD2 3.84Å
721	C	92.1	Very high	74.2	Confident	57 Å²	57	77.7 Å²	77.7	39%	0.385	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123	176.8	-59.5	0	0	0	0	110.1	Y745	C721-Y745 PolarHBondContact N-O 2.99Å; C721-Y745 PolarHBondContact O-N 3.21Å
722	W	89.8	Confident	71.2	Confident	64 Å²	64	82.2 Å²	82.2	24%	0.242	48%	0.479	C	S	.	.			trans	-89.6	143.5	172.1	-61.1	95.3	0	0	0	110.1	V699 S705 L708 V720 Q724 Y743 C744	V699-W722 HydrophobicContact CG1-CH2 3.91Å; V699-W722 HydrophobicContact CG1-CZ3 4.45Å; S705-W722 PolarHBondContact OG-NE1 3.37Å; L708-W722 HydrophobicContact CD1-CH2 3.83Å; L708-W722 HydrophobicContact CD1-CZ2 3.63Å; V720-W722 HydrophobicContact CG1-CZ2 4.4Å; W722-Q724 PolarHBondContact O-N 2.92Å; W722-Q724 VanDerWaalsContact O-N 3.11Å; W722-Y743 WeakPolarHBondContact CZ3-O 3.46Å; W722-C744 HydrophobicContact CD2-CB 3.97Å; W722-C744 HydrophobicContact CE3-CB 3.62Å; W722-C744 HydrophobicContact CH2-CB 4.16Å; W722-C744 HydrophobicContact CZ2-CB 4.45Å; W722-C744 HydrophobicContact CZ3-CB 3.73Å
723	P	81.1	Confident	68.2	Low	13 Å²	13	87.9 Å²	87.9	8%	0.084	51%	0.514	C	S	.	.			trans	-67.7	113	174.3	3.5	8.5	0	0	0	108.4	P85 K741 Y743 Y745	P85-P723 HydrophobicContact CG-CB 4.45Å; P723-K741 HydrophobicContact CB-CD 4.18Å; P723-K741 HydrophobicContact CG-CD 3.81Å; P723-K741 WeakPolarHBondContact O-CE 3.25Å; P723-K741 PolarHBondContact O-NZ 3.08Å; P723-Y743 HydrophobicContact CB-CE2 4.05Å; P723-Y743 HydrophobicContact CG-CD2 3.75Å; P723-Y743 HydrophobicContact CG-CE2 3.1Å; P723-Y745 HydrophobicContact CG-CE2 4.44Å
724	Q	63.6	Low	65.4	Low	169 Å²	169	94.5 Å²	94.5	79%	0.79	54%	0.538	S	S	*	.			trans	-66.6	146.7	179.1	-76.3	178.7	-6.5	0	0	111.3	W722	W722-Q724 PolarHBondContact O-N 2.92Å; W722-Q724 VanDerWaalsContact O-N 3.11Å
725	K	49.2	Very low	62.9	Low	179 Å²	179	93.7 Å²	93.7	78%	0.778	54%	0.544	S	S	*	.			trans	-87.1	116	164.8	-175.4	-177.4	178.3	-173.9	0	105.6	G727	K725-G727 PolarHBondContact O-N 3.25Å
726	E	43.3	Very low	60.3	Low	151 Å²	151	102.5 Å²	102.5	71%	0.706	58%	0.582	S	S	*	*	S	Bend	trans	-57.9	128.3	175.9	-55.1	-162.6	-161.2	0	0	109.1
727	G	34	Very low	57.6	Low	72 Å²	72	106.3 Å²	106.3	74%	0.742	61%	0.612	S	S	*	*			trans	106.2	69.6	177.3	0	0	0	0	0	115.8	K725	K725-G727 PolarHBondContact O-N 3.25Å
728	S	31.1	Very low	55	Low	112 Å²	112	104.6 Å²	104.6	78%	0.783	61%	0.609	S	S	*	*			trans	-173.2	65.2	149.7	36	0	0	0	0	110.2
729	S	35.8	Very low	52.8	Low	120 Å²	120	105.3 Å²	105.3	84%	0.839	62%	0.615	S	S	*	*			trans	-120.5	64.2	168.6	58.4	0	0	0	0	110.1
730	S	36.2	Very low	50.7	Low	88 Å²	88	108.8 Å²	108.8	62%	0.615	63%	0.629	S	S	*	*	S	Bend	trans	-176.4	135.9	150.5	50.9	0	0	0	0	109.7
731	T	38.4	Very low	49.3	Very low	137 Å²	137	110.8 Å²	110.8	84%	0.84	64%	0.636	S	S	*	*	S	Bend	trans	89	103.9	178.4	-29	0	0	0	0	116.2	T733	T731-T733 PolarHBondContact O-N 3.46Å
732	S	30.2	Very low	49.1	Very low	108 Å²	108	109.8 Å²	109.8	76%	0.755	64%	0.635	S	S	*	*			trans	-47.9	118	172.9	56.8	0	0	0	0	113.9
733	T	35.2	Very low	49.2	Very low	120 Å²	120	108 Å²	108	74%	0.736	63%	0.629	S	S	*	*			trans	-151.9	134.7	135.5	30.3	0	0	0	0	107.7	T731 I735	T731-T733 PolarHBondContact O-N 3.46Å; T733-I735 PolarHBondContact O-N 2.79Å
734	H	37.2	Very low	49.8	Very low	200 Å²	200	107.4 Å²	107.4	93%	0.926	63%	0.625	S	S	*	*			trans	-70.6	50.1	-171.6	-124.3	-80.5	0	0	0	113.2
735	I	43.3	Very low	51.3	Low	143 Å²	143	99.8 Å²	99.8	73%	0.733	59%	0.589	S	S	*	*			trans	-93.8	104.3	173.2	-54.6	-173.4	0	0	0	107.5	T733 A737	T733-I735 PolarHBondContact O-N 2.79Å; I735-A737 PolarHBondContact O-N 3.27Å
736	K	43	Very low	53.6	Low	190 Å²	190	91.2 Å²	91.2	83%	0.826	55%	0.551	S	S	*	*			trans	-38.2	105.3	172	-73.2	173.9	175.2	175.8	0	110.1	S738	K736-S738 PolarHBondContact O-N 2.98Å
737	A	40.4	Very low	56.2	Low	101 Å²	101	84.4 Å²	84.4	84%	0.835	52%	0.52	S	S	*	.			trans	-65.2	91.9	166.1	0	0	0	0	0	107	I735	I735-A737 PolarHBondContact O-N 3.27Å
738	S	42.5	Very low	59.2	Low	75 Å²	75	81.1 Å²	81.1	52%	0.524	49%	0.485	S	S	.	.			trans	-64.7	138.4	-172.3	55.2	0	0	0	0	111	K736 N740	K736-S738 PolarHBondContact O-N 2.98Å; S738-N740 VanDerWaalsContact CB-OD1 3.27Å; S738-N740 WeakPolarHBondContact CB-OD1 3.23Å; S738-N740 PolarHBondContact O-N 3.26Å; S738-N740 PolarHBondContact OG-OD1 3.25Å
739	S	50.4	Low	62.4	Low	37 Å²	37	80.2 Å²	80.2	26%	0.259	47%	0.469	S	S	.	.			trans	-62.3	50.4	173.3	49.7	0	0	0	0	113	W701 K741	W701-S739 PolarHBondContact O-OG 3.13Å; S739-K741 PolarHBondContact O-N 3.42Å
740	N	52.9	Low	65.3	Low	127 Å²	127	79.6 Å²	79.6	68%	0.679	45%	0.452	S	S	*	.			trans	-67.2	11.1	-179.7	-65.5	9	0	0	0	113.2	S738	S738-N740 VanDerWaalsContact CB-OD1 3.27Å; S738-N740 WeakPolarHBondContact CB-OD1 3.23Å; S738-N740 PolarHBondContact O-N 3.26Å; S738-N740 PolarHBondContact OG-OD1 3.25Å
741	K	65.5	Low	68.1	Low	64 Å²	64	78.5 Å²	78.5	28%	0.278	44%	0.438	S	S	.	.			trans	-105.7	114.6	-179.4	-62.3	-172.5	-178.9	-176.4	0	106.8	P723 S739 Y743	P723-K741 HydrophobicContact CB-CD 4.18Å; P723-K741 HydrophobicContact CG-CD 3.81Å; P723-K741 WeakPolarHBondContact O-CE 3.25Å; P723-K741 PolarHBondContact O-NZ 3.08Å; S739-K741 PolarHBondContact O-N 3.42Å; K741-Y743 HydrophobicContact CB-CD1 3.97Å; K741-Y743 HydrophobicContact CB-CE1 3.79Å; K741-Y743 HydrophobicContact CD-CE1 4.23Å; K741-Y743 HydrophobicContact CG-CE1 4.23Å; K741-Y743 PolarHBondContact O-N 2.98Å
742	G	87.3	Confident	70.8	Confident	35 Å²	35	77.2 Å²	77.2	36%	0.361	43%	0.429	S	S	.	.	S	Bend	trans	-70.3	32.2	175.7	0	0	0	0	0	113.7	G698 V699	G698-G742 PolarHBondContact N-O 3.35Å; V699-G742 PolarHBondContact N-O 3.08Å; V699-G742 WeakPolarHBondContact O-CA 3.47Å
743	Y	92.6	Very high	74	Confident	28 Å²	28	72.4 Å²	72.4	11%	0.11	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	152.6	-179.3	69.2	-82.2	0	0	0	112.1	F695 L696 W722 P723 K741	F695-Y743 HydrophobicContact CD2-CD2 4.43Å; F695-Y743 AromaticContact CE2-CD2 3.5Å; F695-Y743 HydrophobicContact CE2-CD2 3.5Å; F695-Y743 HydrophobicContact CE2-CE2 4.29Å; F695-Y743 AromaticContact CE2-CG 3.99Å; F695-Y743 HydrophobicContact CE2-CG 3.99Å; F695-Y743 HydrophobicContact CZ-CD2 4.07Å; F695-Y743 HydrophobicContact CZ-CG 4.08Å; L696-Y743 CarbonylContact O-C 3.4Å; L696-Y743 WeakPolarHBondContact O-CA 3.31Å; L696-Y743 VanDerWaalsContact O-CB 3.3Å; L696-Y743 WeakPolarHBondContact O-CB 3.46Å; W722-Y743 WeakPolarHBondContact CZ3-O 3.46Å; P723-Y743 HydrophobicContact CB-CE2 4.05Å; P723-Y743 HydrophobicContact CG-CD2 3.75Å; P723-Y743 HydrophobicContact CG-CE2 3.1Å; K741-Y743 HydrophobicContact CB-CD1 3.97Å; K741-Y743 HydrophobicContact CB-CE1 3.79Å; K741-Y743 HydrophobicContact CD-CE1 4.23Å; K741-Y743 HydrophobicContact CG-CE1 4.23Å; K741-Y743 PolarHBondContact O-N 2.98Å
744	C	94.3	Very high	76.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	-179.9	173.8	67.1	0	0	0	0	110.9	L696 V720 W722	L696-C744 PolarHBondContact N-O 3.43Å; L696-C744 PolarHBondContact O-N 3.19Å; V720-C744 HydrophobicContact CG1-CB 4.12Å; W722-C744 HydrophobicContact CD2-CB 3.97Å; W722-C744 HydrophobicContact CE3-CB 3.62Å; W722-C744 HydrophobicContact CH2-CB 4.16Å; W722-C744 HydrophobicContact CZ2-CB 4.45Å; W722-C744 HydrophobicContact CZ3-CB 3.73Å
745	Y	95.4	Very high	79.6	Confident	8 Å²	8	60.5 Å²	60.5	3%	0.031	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.4	168.9	-60.1	-89.9	0	0	0	110	C86 K693 V694 F695 V720 C721 P723 Y847	C86-Y745 PolarHBondContact O-OH 3.37Å; K693-Y745 HydrophobicContact CG-CD1 4.29Å; V694-Y745 CarbonylContact O-C 3.59Å; V694-Y745 VanDerWaalsContact O-CA 3.3Å; V694-Y745 WeakPolarHBondContact O-CA 3.4Å; F695-Y745 HydrophobicContact CB-CD1 4.39Å; F695-Y745 HydrophobicContact CB-CE1 4.32Å; F695-Y745 HydrophobicContact CD2-CD1 4.47Å; F695-Y745 AromaticContact CD2-CE1 3.93Å; F695-Y745 HydrophobicContact CD2-CE1 3.93Å; V720-Y745 WeakPolarHBondContact CA-O 3.49Å; C721-Y745 PolarHBondContact N-O 2.99Å; C721-Y745 PolarHBondContact O-N 3.21Å; P723-Y745 HydrophobicContact CG-CE2 4.44Å; Y745-Y847 HydrophobicContact CD1-CE1 4.41Å; Y745-Y847 AromaticContact CE1-CE1 3.86Å; Y745-Y847 HydrophobicContact CE1-CE1 3.86Å; Y745-Y847 AromaticContact CE1-CZ 3.97Å
746	L	97	Very high	82.1	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.4	165.4	-55.7	-179	0	0	0	108.1	K693 V694 L696 F712 V718 V720 F748 L757	K693-L746 CarbonylContact C-O 3.59Å; K693-L746 VanDerWaalsContact CA-O 3.27Å; K693-L746 WeakPolarHBondContact CA-O 3.35Å; V694-L746 HydrophobicContact CB-CB 4.43Å; V694-L746 PolarHBondContact N-O 3.4Å; V694-L746 PolarHBondContact O-N 3.33Å; L696-L746 HydrophobicContact CB-CG 4.41Å; L696-L746 HydrophobicContact CD1-CD1 4.4Å; L696-L746 HydrophobicContact CD2-CD1 4.33Å; L696-L746 HydrophobicContact CD2-CD2 4.31Å; L696-L746 HydrophobicContact CD2-CG 4.38Å; F712-L746 HydrophobicContact CB-CD1 4.36Å; F712-L746 HydrophobicContact CD1-CD1 3.78Å; F712-L746 HydrophobicContact CD2-CD1 3.72Å; F712-L746 HydrophobicContact CD2-CD2 3.95Å; F712-L746 HydrophobicContact CE1-CD1 3.96Å; F712-L746 HydrophobicContact CE2-CD1 3.93Å; F712-L746 HydrophobicContact CE2-CD2 4.36Å; F712-L746 HydrophobicContact CG-CD1 3.68Å; F712-L746 HydrophobicContact CZ-CD1 4.04Å; V718-L746 HydrophobicContact CG2-CB 4.02Å; V718-L746 HydrophobicContact CG2-CD2 4.25Å; V720-L746 HydrophobicContact CG2-CD2 3.84Å; L746-F748 HydrophobicContact CB-CE2 4.11Å; L746-F748 HydrophobicContact CD1-CE2 4.27Å; L746-F748 HydrophobicContact CD1-CZ 4.45Å; L746-L757 HydrophobicContact CD1-CD2 4.4Å
747	V	97.4	Very high	84.6	Confident	8 Å²	8	48.9 Å²	48.9	5%	0.048	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	108.7	173.1	-178.9	0	0	0	0	108.1	R692 K693 V718 S719 Y845	R692-V747 WeakPolarHBondContact O-CA 3.37Å; K693-V747 HydrophobicContact CB-CG2 4.15Å; K693-V747 HydrophobicContact CD-CG2 4.12Å; K693-V747 HydrophobicContact CG-CG2 3.92Å; V718-V747 WeakPolarHBondContact CA-O 3.28Å; S719-V747 PolarHBondContact N-O 3.3Å; S719-V747 PolarHBondContact O-N 2.85Å; S719-V747 WeakPolarHBondContact OG-CB 3.13Å; S719-V747 PolarHBondContact OG-O 3.5Å; V747-Y845 HydrophobicContact CG1-CD1 3.93Å; V747-Y845 HydrophobicContact CG1-CD2 4.39Å; V747-Y845 HydrophobicContact CG1-CE1 3.54Å; V747-Y845 HydrophobicContact CG1-CE2 4.04Å; V747-Y845 HydrophobicContact CG1-CG 4.33Å
748	F	98	Very high	87.2	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.013	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	156.9	176.6	-71.3	-82.2	0	0	0	111.7	R692 F712 F715 N717 V718 L746 S753 V754 L757	R692-F748 WeakPolarHBondContact CB-O 3.47Å; R692-F748 PolarHBondContact O-N 3.4Å; F712-F748 HydrophobicContact CB-CZ 4.34Å; F715-F748 HydrophobicContact CB-CE1 4.14Å; F715-F748 HydrophobicContact CB-CZ 4.46Å; N717-F748 CarbonylContact O-C 3.55Å; N717-F748 VanDerWaalsContact O-CA 3.32Å; N717-F748 WeakPolarHBondContact O-CA 3.39Å; V718-F748 HydrophobicContact CB-CD1 3.78Å; V718-F748 HydrophobicContact CB-CE1 3.66Å; V718-F748 HydrophobicContact CB-CZ 4.3Å; V718-F748 HydrophobicContact CG2-CD1 4.03Å; V718-F748 HydrophobicContact CG2-CD2 4.48Å; V718-F748 HydrophobicContact CG2-CE1 3.83Å; V718-F748 HydrophobicContact CG2-CE2 4.3Å; V718-F748 HydrophobicContact CG2-CG 4.37Å; V718-F748 HydrophobicContact CG2-CZ 3.98Å; L746-F748 HydrophobicContact CB-CE2 4.11Å; L746-F748 HydrophobicContact CD1-CE2 4.27Å; L746-F748 HydrophobicContact CD1-CZ 4.45Å; F748-S753 VanDerWaalsContact CD1-CB 3.43Å; F748-V754 HydrophobicContact CB-CG2 4.44Å; F748-V754 HydrophobicContact CD2-CG2 3.73Å; F748-V754 HydrophobicContact CE2-CG2 4.41Å; F748-V754 HydrophobicContact CG-CG2 4.37Å; F748-L757 HydrophobicContact CE2-CD2 4.01Å; F748-L757 HydrophobicContact CZ-CD2 4.22Å
749	E	97.1	Very high	89.6	Confident	92 Å²	92	45.6 Å²	45.6	43%	0.43	26%	0.256	S	S	.	.	S	Bend	trans	-73.6	-35.2	172.9	-171.7	170.5	-176.7	0	0	112.1	R692 N717	R692-E749 WeakPolarHBondContact CD-O 3.47Å; R692-E749 PolarHBondContact NH1-O 2.84Å; N717-E749 HydrophobicContact CB-CB 4Å; N717-E749 WeakPolarHBondContact CB-OE2 3.4Å; N717-E749 PolarHBondContact ND2-OE2 3.42Å; N717-E749 PolarHBondContact O-N 3.13Å
750	H	96.4	Very high	91.7	Very high	107 Å²	107	48.3 Å²	48.3	50%	0.495	27%	0.268	S	S	.	.	S	Bend	trans	-124.3	148.2	-177.3	-58	-63.8	0	0	0	111.5	V752 S753	H750-V752 VanDerWaalsContact C-N 3.32Å; H750-S753 WeakPolarHBondContact O-CB 3.28Å; H750-S753 PolarHBondContact O-N 3.19Å
751	E	95.3	Very high	93.6	Very high	66 Å²	66	43.2 Å²	43.2	31%	0.308	24%	0.242	S	C	.	.	H	α-helix	trans	-63.7	-38	174.6	176.1	-174.3	-177.4	0	0	111.9	T689 F690 S753 V754 T755	T689-E751 WeakPolarHBondContact CA-OE1 3.26Å; T689-E751 VanDerWaalsContact CB-OE1 3.31Å; T689-E751 WeakPolarHBondContact CB-OE1 3.39Å; T689-E751 WeakPolarHBondContact CG2-OE1 3.48Å; F690-E751 HydrophobicContact CB-CG 4.39Å; F690-E751 PolarHBondContact N-OE1 3.17Å; F690-E751 WeakPolarHBondContact O-CG 3.44Å; E751-S753 PolarHBondContact O-N 2.95Å; E751-S753 VanDerWaalsContact O-N 3.12Å; E751-V754 WeakPolarHBondContact O-CA 3.37Å; E751-V754 WeakPolarHBondContact O-CB 3.36Å; E751-V754 PolarHBondContact O-N 3.37Å; E751-T755 PolarHBondContact O-N 2.67Å
752	V	95.4	Very high	94.9	Very high	109 Å²	109	44.8 Å²	44.8	66%	0.661	26%	0.257	S	S	*	.	H	α-helix	trans	-55.2	-34.4	-179.5	-178.6	0	0	0	0	111.8	H750 V754 T755 E756	H750-V752 VanDerWaalsContact C-N 3.32Å; V752-V754 VanDerWaalsContact C-N 3.28Å; V752-V754 PolarHBondContact O-N 2.99Å; V752-T755 WeakPolarHBondContact O-CB 3.47Å; V752-T755 PolarHBondContact O-N 2.92Å; V752-E756 PolarHBondContact O-N 3.1Å
753	S	97.2	Very high	94.8	Very high	8 Å²	8	48.4 Å²	48.4	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-34.5	175.3	-60.4	0	0	0	0	113.3	F715 F748 H750 E751 L757	F715-S753 VanDerWaalsContact O-CA 3.25Å; F715-S753 WeakPolarHBondContact O-CA 3.4Å; F715-S753 WeakPolarHBondContact O-CB 3.39Å; F715-S753 PolarHBondContact O-OG 2.86Å; F748-S753 VanDerWaalsContact CD1-CB 3.43Å; H750-S753 WeakPolarHBondContact O-CB 3.28Å; H750-S753 PolarHBondContact O-N 3.19Å; E751-S753 PolarHBondContact O-N 2.95Å; E751-S753 VanDerWaalsContact O-N 3.12Å; S753-L757 WeakPolarHBondContact O-CB 3.48Å; S753-L757 PolarHBondContact O-N 2.82Å
754	V	96.1	Very high	94.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.7	-47.3	174.7	-179.2	0	0	0	0	109.2	F690 V694 F748 E751 V752 E756 L757 L758 P788	F690-V754 HydrophobicContact CB-CB 4.34Å; F690-V754 HydrophobicContact CB-CG1 3.93Å; F690-V754 HydrophobicContact CD2-CG1 4.47Å; F690-V754 HydrophobicContact CG-CG1 4.18Å; V694-V754 HydrophobicContact CG2-CB 4.37Å; V694-V754 HydrophobicContact CG2-CG1 3.71Å; V694-V754 HydrophobicContact CG2-CG2 3.74Å; F748-V754 HydrophobicContact CB-CG2 4.44Å; F748-V754 HydrophobicContact CD2-CG2 3.73Å; F748-V754 HydrophobicContact CE2-CG2 4.41Å; F748-V754 HydrophobicContact CG-CG2 4.37Å; E751-V754 WeakPolarHBondContact O-CA 3.37Å; E751-V754 WeakPolarHBondContact O-CB 3.36Å; E751-V754 PolarHBondContact O-N 3.37Å; V752-V754 VanDerWaalsContact C-N 3.28Å; V752-V754 PolarHBondContact O-N 2.99Å; V754-E756 VanDerWaalsContact C-N 3.29Å; V754-E756 PolarHBondContact O-N 3.22Å; V754-L757 WeakPolarHBondContact O-CB 3.45Å; V754-L757 PolarHBondContact O-N 3.27Å; V754-L757 VanDerWaalsContact O-N 3.16Å; V754-L758 HydrophobicContact CG1-CD1 4.46Å; V754-L758 HydrophobicContact CG1-CG 4.38Å; V754-L758 VanDerWaalsContact O-CG 3.31Å; V754-L758 WeakPolarHBondContact O-CG 3.45Å; V754-L758 PolarHBondContact O-N 3.27Å; V754-P788 HydrophobicContact CG1-CB 4.34Å
755	T	94.4	Very high	93.1	Very high	69 Å²	69	55 Å²	55	42%	0.423	31%	0.307	S	S	.	.	H	α-helix	trans	-57.8	-41.3	176.7	-53.1	0	0	0	0	112.1	E751 V752 L758 A759	E751-T755 PolarHBondContact O-N 2.67Å; V752-T755 WeakPolarHBondContact O-CB 3.47Å; V752-T755 PolarHBondContact O-N 2.92Å; T755-L758 PolarHBondContact O-N 3.05Å; T755-A759 PolarHBondContact O-N 2.64Å
756	E	95.6	Very high	92	Very high	90 Å²	90	60.8 Å²	60.8	42%	0.421	34%	0.344	S	S	.	.	H	α-helix	trans	-66.9	-41.2	176.4	-164.6	-175.7	173.3	0	0	112.4	F715 V752 V754 L758 A759 N760	F715-E756 HydrophobicContact CD1-CB 4.26Å; F715-E756 HydrophobicContact CD1-CG 3.92Å; V752-E756 PolarHBondContact O-N 3.1Å; V754-E756 VanDerWaalsContact C-N 3.29Å; V754-E756 PolarHBondContact O-N 3.22Å; E756-L758 PolarHBondContact O-N 2.67Å; E756-A759 PolarHBondContact O-N 3.01Å; E756-N760 PolarHBondContact O-N 3.44Å; E756-N760 PolarHBondContact O-ND2 3.42Å
757	L	96.1	Very high	90.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-57	-49.3	171.8	167	62.2	0	0	0	110.8	F712 F715 L746 F748 S753 V754 A759 N760 C761 Y772 V786	F712-L757 HydrophobicContact CD1-CD1 3.93Å; F712-L757 HydrophobicContact CD1-CD2 4.47Å; F712-L757 HydrophobicContact CE1-CD1 3.8Å; F715-L757 HydrophobicContact CD1-CB 4.43Å; F715-L757 HydrophobicContact CD2-CB 3.99Å; F715-L757 HydrophobicContact CD2-CD1 3.9Å; F715-L757 HydrophobicContact CD2-CG 4.49Å; F715-L757 HydrophobicContact CE2-CB 4.3Å; F715-L757 HydrophobicContact CE2-CD1 3.48Å; F715-L757 VanDerWaalsContact CE2-CD1 3.48Å; F715-L757 HydrophobicContact CE2-CG 4.48Å; F715-L757 HydrophobicContact CG-CB 4.05Å; F715-L757 HydrophobicContact CZ-CD1 3.97Å; L746-L757 HydrophobicContact CD1-CD2 4.4Å; F748-L757 HydrophobicContact CE2-CD2 4.01Å; F748-L757 HydrophobicContact CZ-CD2 4.22Å; S753-L757 WeakPolarHBondContact O-CB 3.48Å; S753-L757 PolarHBondContact O-N 2.82Å; V754-L757 WeakPolarHBondContact O-CB 3.45Å; V754-L757 PolarHBondContact O-N 3.27Å; V754-L757 VanDerWaalsContact O-N 3.16Å; L757-A759 VanDerWaalsContact C-N 3.32Å; L757-A759 PolarHBondContact O-N 2.96Å; L757-N760 CarbonylContact O-C 3.51Å; L757-N760 PolarHBondContact O-N 3.45Å; L757-C761 PolarHBondContact O-N 3.02Å; L757-C761 PolarHBondContact O-SG 3.35Å; L757-C761 VanDerWaalsContact O-SG 3.34Å; L757-Y772 HydrophobicContact CD1-CD2 4.26Å; L757-Y772 HydrophobicContact CD1-CG 4.23Å; L757-V786 HydrophobicContact CD2-CG1 3.87Å; L757-V786 HydrophobicContact CG-CG1 4.3Å
758	L	93.7	Very high	89.5	Confident	22 Å²	22	65.8 Å²	65.8	12%	0.115	38%	0.382	C	S	.	.	H	α-helix	trans	-63.6	-37.1	-179.2	-62.8	-170.5	0	0	0	112.6	F690 V754 T755 E756 N760 C761 E770 V786 P788	F690-L758 HydrophobicContact CD1-CD1 4.38Å; F690-L758 HydrophobicContact CD2-CD1 4.28Å; F690-L758 HydrophobicContact CE1-CD1 3.83Å; F690-L758 HydrophobicContact CE2-CD1 3.73Å; F690-L758 HydrophobicContact CZ-CD1 3.47Å; F690-L758 VanDerWaalsContact CZ-CD1 3.47Å; V754-L758 HydrophobicContact CG1-CD1 4.46Å; V754-L758 HydrophobicContact CG1-CG 4.38Å; V754-L758 VanDerWaalsContact O-CG 3.31Å; V754-L758 WeakPolarHBondContact O-CG 3.45Å; V754-L758 PolarHBondContact O-N 3.27Å; T755-L758 PolarHBondContact O-N 3.05Å; E756-L758 PolarHBondContact O-N 2.67Å; L758-N760 PolarHBondContact O-N 3Å; L758-C761 WeakPolarHBondContact O-CB 3.36Å; L758-C761 PolarHBondContact O-N 3.49Å; L758-C761 VanDerWaalsContact O-N 3.08Å; L758-E770 WeakPolarHBondContact CD2-OE2 3.29Å; L758-V786 HydrophobicContact CD2-CG1 3.88Å; L758-P788 HydrophobicContact CD1-CB 3.92Å; L758-P788 HydrophobicContact CD1-CG 3.75Å; L758-P788 HydrophobicContact CD2-CB 4.27Å; L758-P788 HydrophobicContact CD2-CG 4.02Å; L758-P788 HydrophobicContact CG-CG 4.49Å
759	A	92.9	Very high	88.8	Confident	84 Å²	84	66 Å²	66	69%	0.694	39%	0.385	S	S	*	.	H	α-helix	trans	-62.6	-22.7	174.7	0	0	0	0	0	113.2	T755 E756 L757	T755-A759 PolarHBondContact O-N 2.64Å; E756-A759 PolarHBondContact O-N 3.01Å; L757-A759 VanDerWaalsContact C-N 3.32Å; L757-A759 PolarHBondContact O-N 2.96Å
760	N	94.8	Very high	88.4	Confident	94 Å²	94	62.9 Å²	62.9	50%	0.503	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	1.2	176.9	-74	-92.8	0	0	0	113.3	F715 E756 L757 L758 Y772	F715-N760 HydrophobicContact CE1-CB 3.83Å; F715-N760 HydrophobicContact CZ-CB 4Å; E756-N760 PolarHBondContact O-N 3.44Å; E756-N760 PolarHBondContact O-ND2 3.42Å; L757-N760 CarbonylContact O-C 3.51Å; L757-N760 PolarHBondContact O-N 3.45Å; L758-N760 PolarHBondContact O-N 3Å; N760-Y772 HydrophobicContact CB-CE2 4.34Å
761	C	94	Very high	88.3	Confident	20 Å²	20	60.5 Å²	60.5	14%	0.135	36%	0.357	C	S	.	.	S	Bend	trans	-81	147.3	174.8	-74	0	0	0	0	111.6	L757 L758 E770 Y771	L757-C761 PolarHBondContact O-N 3.02Å; L757-C761 PolarHBondContact O-SG 3.35Å; L757-C761 VanDerWaalsContact O-SG 3.34Å; L758-C761 WeakPolarHBondContact O-CB 3.36Å; L758-C761 PolarHBondContact O-N 3.49Å; L758-C761 VanDerWaalsContact O-N 3.08Å; C761-E770 HydrophobicContact CB-CB 3.94Å; C761-Y771 CarbonylContact C-O 3.54Å; C761-Y771 VanDerWaalsContact CA-O 3.29Å; C761-Y771 WeakPolarHBondContact CA-O 3.24Å; C761-Y771 WeakPolarHBondContact CB-O 3.34Å
762	V	92.1	Very high	88.3	Confident	98 Å²	98	58.4 Å²	58.4	59%	0.594	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.6	166.5	-178.8	0	0	0	0	108.4	Y771	V762-Y771 PolarHBondContact N-O 3.43Å; V762-Y771 PolarHBondContact O-N 3.48Å
763	H	86.1	Confident	88.2	Confident	110 Å²	110	56.1 Å²	56.1	51%	0.509	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.1	173.3	-173.7	76.8	0	0	0	110	P765	H763-P765 VanDerWaalsContact O-CD 3.25Å; H763-P765 WeakPolarHBondContact O-CD 3.31Å
764	N	79.1	Confident	88	Confident	53 Å²	53	55.9 Å²	55.9	28%	0.283	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	107.4	174.5	-176.8	-39.1	0	0	0	109.5	T766 T767 G768 G769 Y771	N764-T766 PolarHBondContact O-N 2.84Å; N764-T766 WeakPolarHBondContact OD1-CB 3.18Å; N764-T766 PolarHBondContact OD1-N 2.63Å; N764-T767 WeakPolarHBondContact CB-OG1 3.2Å; N764-T767 PolarHBondContact ND2-OG1 3.13Å; N764-T767 PolarHBondContact O-N 3.41Å; N764-T767 PolarHBondContact OD1-N 2.84Å; N764-T767 VanDerWaalsContact OD1-N 3.14Å; N764-T767 PolarHBondContact OD1-OG1 3.22Å; N764-G768 WeakPolarHBondContact O-CA 3.35Å; N764-G768 PolarHBondContact O-N 2.7Å; N764-G769 PolarHBondContact N-O 2.88Å; N764-Y771 HydrophobicContact CB-CD2 3.99Å; N764-Y771 HydrophobicContact CB-CE2 3.76Å
765	P	71.9	Confident	87.7	Confident	113 Å²	113	60 Å²	60	73%	0.734	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.4	-175.3	27.9	-35.7	0	0	0	113.3	H763	H763-P765 VanDerWaalsContact O-CD 3.25Å; H763-P765 WeakPolarHBondContact O-CD 3.31Å
766	T	71.7	Confident	87	Confident	131 Å²	131	57.5 Å²	57.5	80%	0.804	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-35.4	-179.1	-46.9	0	0	0	0	112.4	N764	N764-T766 PolarHBondContact O-N 2.84Å; N764-T766 WeakPolarHBondContact OD1-CB 3.18Å; N764-T766 PolarHBondContact OD1-N 2.63Å
767	T	69.8	Low	86.3	Confident	78 Å²	78	59.6 Å²	59.6	48%	0.479	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-14.8	-178.7	57.2	0	0	0	0	113.6	N764 G769	N764-T767 WeakPolarHBondContact CB-OG1 3.2Å; N764-T767 PolarHBondContact ND2-OG1 3.13Å; N764-T767 PolarHBondContact O-N 3.41Å; N764-T767 PolarHBondContact OD1-N 2.84Å; N764-T767 VanDerWaalsContact OD1-N 3.14Å; N764-T767 PolarHBondContact OD1-OG1 3.22Å; T767-G769 VanDerWaalsContact C-N 3.25Å; T767-G769 PolarHBondContact O-N 2.81Å
768	G	73.1	Confident	85.5	Confident	35 Å²	35	65.1 Å²	65.1	36%	0.361	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	19.7	-176.9	0	0	0	0	0	113.7	N764	N764-G768 WeakPolarHBondContact O-CA 3.35Å; N764-G768 PolarHBondContact O-N 2.7Å
769	G	81.4	Confident	84.8	Confident	8 Å²	8	65 Å²	65	8%	0.082	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	153.3	-178.3	0	0	0	0	0	113	N764 T767	N764-G769 PolarHBondContact N-O 2.88Å; T767-G769 VanDerWaalsContact C-N 3.25Å; T767-G769 PolarHBondContact O-N 2.81Å
770	E	90	Very high	84.2	Confident	25 Å²	25	68.6 Å²	68.6	12%	0.117	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.3	172.9	-67.3	162.6	167.8	0	0	109.2	H685 L758 C761 V786 P788	H685-E770 IonicContact CD2-OE1 3.05Å; L758-E770 WeakPolarHBondContact CD2-OE2 3.29Å; C761-E770 HydrophobicContact CB-CB 3.94Å; E770-V786 HydrophobicContact CB-CB 4.47Å; E770-V786 PolarHBondContact O-N 3.02Å; E770-P788 WeakPolarHBondContact OE2-CD 3.38Å; E770-P788 WeakPolarHBondContact OE2-CG 3.31Å
771	Y	93.6	Very high	83.9	Confident	58 Å²	58	67.5 Å²	67.5	23%	0.227	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.6	-178.6	-66.2	-94.8	0	0	0	110.4	C761 V762 N764 D783 V784 Q785	C761-Y771 CarbonylContact C-O 3.54Å; C761-Y771 VanDerWaalsContact CA-O 3.29Å; C761-Y771 WeakPolarHBondContact CA-O 3.24Å; C761-Y771 WeakPolarHBondContact CB-O 3.34Å; V762-Y771 PolarHBondContact N-O 3.43Å; V762-Y771 PolarHBondContact O-N 3.48Å; N764-Y771 HydrophobicContact CB-CD2 3.99Å; N764-Y771 HydrophobicContact CB-CE2 3.76Å; Y771-D783 HydrophobicContact CD1-CB 4.43Å; Y771-V784 CarbonylContact C-O 3.59Å; Y771-V784 WeakPolarHBondContact CA-O 3.29Å; Y771-Q785 HydrophobicContact CD1-CB 4.06Å; Y771-Q785 HydrophobicContact CD1-CG 4.39Å; Y771-Q785 HydrophobicContact CE1-CB 3.77Å; Y771-Q785 HydrophobicContact CE1-CG 3.94Å
772	Y	94.9	Very high	83.7	Confident	21 Å²	21	70.2 Å²	70.2	8%	0.082	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.4	173.6	-173.1	-104.4	0	0	0	109.5	F712 R714 F715 L757 N760 I774 V784	F712-Y772 HydrophobicContact CD1-CD1 4.4Å; F712-Y772 HydrophobicContact CD1-CE1 4.46Å; F712-Y772 AromaticContact CE1-CD1 3.49Å; F712-Y772 HydrophobicContact CE1-CD1 3.49Å; F712-Y772 VanDerWaalsContact CE1-CD1 3.49Å; F712-Y772 AromaticContact CE1-CE1 3.95Å; F712-Y772 HydrophobicContact CE1-CE1 3.95Å; F712-Y772 HydrophobicContact CE1-CG 4.16Å; F712-Y772 AromaticContact CZ-CD1 3.86Å; F712-Y772 HydrophobicContact CZ-CD1 3.86Å; F712-Y772 HydrophobicContact CZ-CE1 4.44Å; R714-Y772 VanDerWaalsContact CZ-OH 3.25Å; R714-Y772 PolarHBondContact NE-OH 3.34Å; R714-Y772 PolarHBondContact NH1-OH 2.84Å; F715-Y772 HydrophobicContact CE2-CE1 4.4Å; F715-Y772 HydrophobicContact CE2-CE2 4.16Å; F715-Y772 AromaticContact CE2-CZ 3.96Å; F715-Y772 HydrophobicContact CZ-CD2 4.44Å; F715-Y772 AromaticContact CZ-CE2 3.68Å; F715-Y772 HydrophobicContact CZ-CE2 3.68Å; F715-Y772 AromaticContact CZ-CZ 3.81Å; L757-Y772 HydrophobicContact CD1-CD2 4.26Å; L757-Y772 HydrophobicContact CD1-CG 4.23Å; N760-Y772 HydrophobicContact CB-CE2 4.34Å; Y772-I774 HydrophobicContact CD1-CG2 3.79Å; Y772-I774 HydrophobicContact CE1-CG2 4.03Å; Y772-V784 PolarHBondContact N-O 2.83Å; Y772-V784 WeakPolarHBondContact O-CG2 3.17Å; Y772-V784 PolarHBondContact O-N 2.8Å
773	T	94.3	Very high	83.7	Confident	61 Å²	61	70.4 Å²	70.4	37%	0.374	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.3	-180	-54.4	0	0	0	0	109.8	S781 D783	T773-S781 WeakPolarHBondContact CG2-OG 3.35Å; T773-D783 WeakPolarHBondContact CB-OD1 3.49Å; T773-D783 PolarHBondContact OG1-OD1 3.27Å
774	I	92.6	Very high	84	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.021	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	147.4	172.2	57.6	169	0	0	0	110.4	P700 L708 A711 F712 Y772 F779 S781 K782 V784	P700-I774 HydrophobicContact CG-CD1 4.08Å; L708-I774 HydrophobicContact CD2-CD1 4.01Å; A711-I774 HydrophobicContact CB-CG2 4.16Å; F712-I774 HydrophobicContact CE2-CG2 4.08Å; F712-I774 HydrophobicContact CZ-CG2 3.84Å; Y772-I774 HydrophobicContact CD1-CG2 3.79Å; Y772-I774 HydrophobicContact CE1-CG2 4.03Å; I774-F779 HydrophobicContact CB-CE2 4.44Å; I774-F779 HydrophobicContact CD1-CE2 4.11Å; I774-F779 HydrophobicContact CD1-CZ 3.84Å; I774-F779 HydrophobicContact CG1-CE2 3.87Å; I774-F779 HydrophobicContact CG1-CZ 4.11Å; I774-F779 WeakPolarHBondContact O-CE2 3.15Å; I774-S781 CarbonylContact O-C 3.42Å; I774-S781 WeakPolarHBondContact O-CA 3.16Å; I774-K782 WeakPolarHBondContact CG1-O 3.38Å; I774-K782 PolarHBondContact N-O 3.44Å; I774-K782 PolarHBondContact O-N 3.22Å; I774-V784 HydrophobicContact CD1-CG1 3.57Å; I774-V784 HydrophobicContact CD1-CG2 4.41Å; I774-V784 HydrophobicContact CG1-CG1 3.86Å; I774-V784 HydrophobicContact CG1-CG2 4.24Å; I774-V784 HydrophobicContact CG2-CG2 3.95Å
775	S	88.9	Confident	84.7	Confident	86 Å²	86	65.2 Å²	65.2	60%	0.601	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	151.6	175.6	59.7	0	0	0	0	110.7	I780	S775-I780 WeakPolarHBondContact CB-O 3.44Å
776	S	81.5	Confident	85.8	Confident	17 Å²	17	60 Å²	60	12%	0.119	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	156.4	-174.3	175.5	0	0	0	0	110.9	E707 K778 F779	E707-S776 WeakPolarHBondContact OE1-CB 3.37Å; E707-S776 PolarHBondContact OE1-OG 3.44Å; S776-K778 PolarHBondContact O-N 2.93Å; S776-K778 PolarHBondContact OG-N 3.05Å; S776-F779 CarbonylContact C-O 3.52Å; S776-F779 VanDerWaalsContact CB-CE1 3.44Å; S776-F779 VanDerWaalsContact CB-CZ 3.45Å; S776-F779 PolarHBondContact N-O 2.82Å; S776-F779 CarbonylContact O-C 3.35Å; S776-F779 PolarHBondContact O-N 3.01Å; S776-F779 VanDerWaalsContact O-N 3.16Å
777	P	81.2	Confident	86.7	Confident	134 Å²	134	56.2 Å²	56.2	87%	0.87	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-24	167.2	-26.3	35.7	0	0	0	113.8
778	K	77.7	Confident	87.8	Confident	115 Å²	115	52.7 Å²	52.7	50%	0.5	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-25.9	-180	-58	-178.7	-161.8	138.4	0	114.3	D702 E707 S776	D702-K778 PolarHBondContact O-NZ 3.01Å; D702-K778 VanDerWaalsContact O-NZ 3.11Å; E707-K778 IonicContact OE2-NZ 2.94Å; E707-K778 PolarHBondContact OE2-NZ 3.36Å; S776-K778 PolarHBondContact O-N 2.93Å; S776-K778 PolarHBondContact OG-N 3.05Å
779	F	80.3	Confident	88.8	Confident	19 Å²	19	51.3 Å²	51.3	8%	0.083	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	136.3	178.8	58.2	-97	0	0	0	110.4	P700 E707 I774 S776 S781 K782	P700-F779 HydrophobicContact CB-CD1 4.05Å; P700-F779 HydrophobicContact CB-CE1 3.87Å; P700-F779 HydrophobicContact CB-CZ 4.48Å; P700-F779 HydrophobicContact CG-CD1 3.85Å; P700-F779 HydrophobicContact CG-CD2 4.44Å; P700-F779 HydrophobicContact CG-CE1 3.35Å; P700-F779 HydrophobicContact CG-CE2 4.04Å; P700-F779 HydrophobicContact CG-CG 4.37Å; P700-F779 HydrophobicContact CG-CZ 3.49Å; P700-F779 VanDerWaalsContact CG-CZ 3.49Å; E707-F779 WeakPolarHBondContact OE1-CE1 3.3Å; E707-F779 WeakPolarHBondContact OE1-CZ 3.47Å; I774-F779 HydrophobicContact CB-CE2 4.44Å; I774-F779 HydrophobicContact CD1-CE2 4.11Å; I774-F779 HydrophobicContact CD1-CZ 3.84Å; I774-F779 HydrophobicContact CG1-CE2 3.87Å; I774-F779 HydrophobicContact CG1-CZ 4.11Å; I774-F779 WeakPolarHBondContact O-CE2 3.15Å; S776-F779 CarbonylContact C-O 3.52Å; S776-F779 VanDerWaalsContact CB-CE1 3.44Å; S776-F779 VanDerWaalsContact CB-CZ 3.45Å; S776-F779 PolarHBondContact N-O 2.82Å; S776-F779 CarbonylContact O-C 3.35Å; S776-F779 PolarHBondContact O-N 3.01Å; S776-F779 VanDerWaalsContact O-N 3.16Å; F779-S781 PolarHBondContact O-N 3.37Å; F779-K782 HydrophobicContact CD2-CB 4.31Å; F779-K782 HydrophobicContact CD2-CD 4.47Å; F779-K782 HydrophobicContact CD2-CG 3.86Å; F779-K782 HydrophobicContact CE2-CB 4.45Å; F779-K782 HydrophobicContact CE2-CG 4.45Å; F779-K782 HydrophobicContact CG-CG 4.33Å
780	I	79.8	Confident	89.3	Confident	161 Å²	161	51 Å²	51	83%	0.826	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	-52	-171.5	-61.2	171.6	0	0	0	111.1	S775	S775-I780 WeakPolarHBondContact CB-O 3.44Å
781	S	87.7	Confident	89.5	Confident	71 Å²	71	51.7 Å²	51.7	50%	0.497	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	125.9	-173.4	-171.8	0	0	0	0	109.1	T773 I774 F779	T773-S781 WeakPolarHBondContact CG2-OG 3.35Å; I774-S781 CarbonylContact O-C 3.42Å; I774-S781 WeakPolarHBondContact O-CA 3.16Å; F779-S781 PolarHBondContact O-N 3.37Å
782	K	90.1	Very high	89.5	Confident	77 Å²	77	52.1 Å²	52.1	34%	0.335	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.8	172	-64.2	-158.9	-162.3	170.9	0	110.3	P700 I774 F779 V784	P700-K782 HydrophobicContact CB-CD 4.22Å; P700-K782 HydrophobicContact CG-CD 3.89Å; I774-K782 WeakPolarHBondContact CG1-O 3.38Å; I774-K782 PolarHBondContact N-O 3.44Å; I774-K782 PolarHBondContact O-N 3.22Å; F779-K782 HydrophobicContact CD2-CB 4.31Å; F779-K782 HydrophobicContact CD2-CD 4.47Å; F779-K782 HydrophobicContact CD2-CG 3.86Å; F779-K782 HydrophobicContact CE2-CB 4.45Å; F779-K782 HydrophobicContact CE2-CG 4.45Å; F779-K782 HydrophobicContact CG-CG 4.33Å; K782-V784 PolarHBondContact O-N 2.86Å
783	D	91.7	Very high	89.4	Confident	101 Å²	101	52.6 Å²	52.6	54%	0.54	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	117.3	174	-63.5	-21.3	0	0	0	109.1	Y771 T773	Y771-D783 HydrophobicContact CD1-CB 4.43Å; T773-D783 WeakPolarHBondContact CB-OD1 3.49Å; T773-D783 PolarHBondContact OG1-OD1 3.27Å
784	V	93.6	Very high	89.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.7	171.1	-68.5	0	0	0	0	108.9	L696 G697 V699 F712 Y771 Y772 I774 K782	L696-V784 HydrophobicContact CD1-CB 4.03Å; L696-V784 HydrophobicContact CD1-CG2 3.71Å; L696-V784 HydrophobicContact CD2-CG2 4.36Å; L696-V784 HydrophobicContact CG-CB 4.16Å; L696-V784 HydrophobicContact CG-CG2 4.21Å; G697-V784 CarbonylContact O-C 3.56Å; G697-V784 WeakPolarHBondContact O-CA 3.44Å; G697-V784 WeakPolarHBondContact O-CB 3.26Å; V699-V784 HydrophobicContact CG2-CG1 4.2Å; F712-V784 HydrophobicContact CZ-CG2 4.19Å; Y771-V784 CarbonylContact C-O 3.59Å; Y771-V784 WeakPolarHBondContact CA-O 3.29Å; Y772-V784 PolarHBondContact N-O 2.83Å; Y772-V784 WeakPolarHBondContact O-CG2 3.17Å; Y772-V784 PolarHBondContact O-N 2.8Å; I774-V784 HydrophobicContact CD1-CG1 3.57Å; I774-V784 HydrophobicContact CD1-CG2 4.41Å; I774-V784 HydrophobicContact CG1-CG1 3.86Å; I774-V784 HydrophobicContact CG1-CG2 4.24Å; I774-V784 HydrophobicContact CG2-CG2 3.95Å; K782-V784 PolarHBondContact O-N 2.86Å
785	Q	93.4	Very high	89.6	Confident	55 Å²	55	56.3 Å²	56.3	26%	0.257	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.7	176.6	-169.6	-178.7	11.5	0	0	109.2	L696 G697 Y771 I787	L696-Q785 CarbonylContact C-O 3.57Å; L696-Q785 WeakPolarHBondContact CA-O 3.48Å; G697-Q785 PolarHBondContact N-O 3.24Å; G697-Q785 PolarHBondContact O-N 3.17Å; Y771-Q785 HydrophobicContact CD1-CB 4.06Å; Y771-Q785 HydrophobicContact CD1-CG 4.39Å; Y771-Q785 HydrophobicContact CE1-CB 3.77Å; Y771-Q785 HydrophobicContact CE1-CG 3.94Å; Q785-I787 HydrophobicContact CG-CD1 4.29Å; Q785-I787 HydrophobicContact CG-CG1 3.95Å
786	V	93.9	Very high	89.9	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.4	174	-176.9	0	0	0	0	107.5	V694 L696 L757 L758 E770	V694-V786 HydrophobicContact CG1-CG1 3.67Å; L696-V786 HydrophobicContact CD1-CG2 3.81Å; L757-V786 HydrophobicContact CD2-CG1 3.87Å; L757-V786 HydrophobicContact CG-CG1 4.3Å; L758-V786 HydrophobicContact CD2-CG1 3.88Å; E770-V786 HydrophobicContact CB-CB 4.47Å; E770-V786 PolarHBondContact O-N 3.02Å
787	I	91.2	Very high	90.4	Very high	52 Å²	52	59.1 Å²	59.1	27%	0.267	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	98.2	177.5	-53.2	-178.9	0	0	0	108.2	F695 Q785	F695-I787 HydrophobicContact CB-CB 4.2Å; F695-I787 HydrophobicContact CD1-CB 4.08Å; F695-I787 HydrophobicContact CD1-CD1 3.71Å; F695-I787 HydrophobicContact CD1-CG1 3.99Å; F695-I787 HydrophobicContact CE1-CD1 4.01Å; F695-I787 PolarHBondContact N-O 3.06Å; F695-I787 PolarHBondContact O-N 2.85Å; Q785-I787 HydrophobicContact CG-CD1 4.29Å; Q785-I787 HydrophobicContact CG-CG1 3.95Å
788	P	92.5	Very high	90.7	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.032	29%	0.294	C	S	.	.			trans	-72.7	157.6	174.8	33.3	-36.8	0	0	0	110.8	F690 V754 L758 E770	F690-P788 HydrophobicContact CD1-CB 3.8Å; F690-P788 HydrophobicContact CD1-CG 4.42Å; F690-P788 HydrophobicContact CE1-CB 4.01Å; F690-P788 HydrophobicContact CE1-CG 4.13Å; V754-P788 HydrophobicContact CG1-CB 4.34Å; L758-P788 HydrophobicContact CD1-CB 3.92Å; L758-P788 HydrophobicContact CD1-CG 3.75Å; L758-P788 HydrophobicContact CD2-CB 4.27Å; L758-P788 HydrophobicContact CD2-CG 4.02Å; L758-P788 HydrophobicContact CG-CG 4.49Å; E770-P788 WeakPolarHBondContact OE2-CD 3.38Å; E770-P788 WeakPolarHBondContact OE2-CG 3.31Å
789	W	93.7	Very high	91.1	Very high	6 Å²	6	54.9 Å²	54.9	2%	0.023	29%	0.289	C	S	.	.			trans	-106.7	124.8	167	-172.5	-99.6	0	0	0	110.3	F690 S691 D793 S794 A817 T820 L840 Y847 P848	F690-W789 CarbonylContact C-O 3.58Å; F690-W789 WeakPolarHBondContact CA-O 3.46Å; S691-W789 PolarHBondContact N-O 3.18Å; W789-D793 HydrophobicContact CH2-CB 4.33Å; W789-D793 HydrophobicContact CZ2-CB 3.75Å; W789-S794 PolarHBondContact NE1-OG 3.13Å; W789-A817 WeakPolarHBondContact CZ3-O 3.5Å; W789-T820 HydrophobicContact CH2-CG2 4.29Å; W789-L840 HydrophobicContact CH2-CD1 3.85Å; W789-L840 HydrophobicContact CZ2-CD1 3.73Å; W789-Y847 HydrophobicContact CB-CD2 3.77Å; W789-Y847 HydrophobicContact CB-CE2 3.78Å; W789-Y847 HydrophobicContact CG-CD2 4.42Å; W789-P848 VanDerWaalsContact CD2-CD 3.41Å; W789-P848 HydrophobicContact CD2-CG 3.42Å; W789-P848 VanDerWaalsContact CD2-CG 3.42Å; W789-P848 VanDerWaalsContact CE2-CD 3.47Å; W789-P848 HydrophobicContact CE3-CG 3.75Å; W789-P848 HydrophobicContact CG-CG 4.11Å; W789-P848 HydrophobicContact CH2-CG 3.53Å; W789-P848 HydrophobicContact CZ2-CB 4.44Å; W789-P848 HydrophobicContact CZ2-CG 3.2Å; W789-P848 HydrophobicContact CZ3-CG 3.78Å
790	V	93	Very high	91.3	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-82.4	123.3	173.2	171.9	0	0	0	0	108.5	H685 M688 F690 S792 D793	H685-V790 WeakPolarHBondContact ND1-CG2 3.49Å; M688-V790 HydrophobicContact CB-CG1 3.9Å; M688-V790 HydrophobicContact CB-CG2 4.18Å; M688-V790 HydrophobicContact CG-CG1 4.14Å; M688-V790 HydrophobicContact SD-CB 4.31Å; M688-V790 HydrophobicContact SD-CG1 3.69Å; M688-V790 HydrophobicContact SD-CG2 3.68Å; F690-V790 HydrophobicContact CD1-CG2 4.02Å; F690-V790 HydrophobicContact CE1-CG2 3.69Å; V790-S792 VanDerWaalsContact C-N 3.3Å; V790-S792 WeakPolarHBondContact CG1-OG 3.01Å; V790-S792 PolarHBondContact O-N 3.4Å; V790-D793 HydrophobicContact CB-CB 4.44Å; V790-D793 WeakPolarHBondContact O-CB 3.43Å; V790-D793 PolarHBondContact O-N 3.49Å; V790-D793 VanDerWaalsContact O-N 3.1Å
791	I	94.3	Very high	91.4	Very high	40 Å²	40	54.9 Å²	54.9	21%	0.205	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-61.6	-40	-173.3	-68.2	167.3	0	0	0	111.3	T689 F690 D793 S794 K846	T689-I791 PolarHBondContact O-N 2.62Å; F690-I791 WeakPolarHBondContact O-CD1 3.33Å; I791-D793 PolarHBondContact O-N 3.45Å; I791-S794 VanDerWaalsContact O-CB 3.26Å; I791-S794 WeakPolarHBondContact O-CB 3.38Å; I791-S794 PolarHBondContact O-N 3.19Å; I791-S794 VanDerWaalsContact O-N 3.08Å; I791-S794 PolarHBondContact O-OG 2.88Å; I791-K846 HydrophobicContact CD1-CB 4.5Å; I791-K846 HydrophobicContact CD1-CD 4.09Å; I791-K846 HydrophobicContact CG1-CB 4.15Å; I791-K846 HydrophobicContact CG1-CD 4.37Å; I791-K846 HydrophobicContact CG2-CB 4.39Å; I791-K846 HydrophobicContact CG2-CD 3.76Å
792	S	92.8	Very high	91.3	Very high	66 Å²	66	53.9 Å²	53.9	46%	0.462	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-63.4	-20.4	179.2	57.9	0	0	0	0	113.9	V790 S794	V790-S792 VanDerWaalsContact C-N 3.3Å; V790-S792 WeakPolarHBondContact CG1-OG 3.01Å; V790-S792 PolarHBondContact O-N 3.4Å; S792-S794 PolarHBondContact O-N 3.5Å
793	D	93.3	Very high	90.9	Very high	31 Å²	31	55.1 Å²	55.1	17%	0.166	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-69.4	-10.3	175.6	-73.5	-2.8	0	0	0	112.7	R683 W789 V790 I791 T820 A821	R683-D793 IonicContact CZ-OD2 2.76Å; R683-D793 IonicContact NE-OD2 2.63Å; R683-D793 IonicContact NH1-OD2 2.77Å; R683-D793 PolarHBondContact NH1-OD2 3.16Å; W789-D793 HydrophobicContact CH2-CB 4.33Å; W789-D793 HydrophobicContact CZ2-CB 3.75Å; V790-D793 HydrophobicContact CB-CB 4.44Å; V790-D793 WeakPolarHBondContact O-CB 3.43Å; V790-D793 PolarHBondContact O-N 3.49Å; V790-D793 VanDerWaalsContact O-N 3.1Å; I791-D793 PolarHBondContact O-N 3.45Å; D793-T820 HydrophobicContact CB-CG2 3.73Å; D793-T820 WeakPolarHBondContact OD2-CG2 3.49Å; D793-A821 WeakPolarHBondContact O-CB 3.37Å; D793-A821 PolarHBondContact O-N 3.29Å
794	S	95.4	Very high	90.5	Very high	13 Å²	13	53.4 Å²	53.4	9%	0.091	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-81.7	-14.1	-175.4	-43	0	0	0	0	113.2	W789 I791 S792 A839 L840	W789-S794 PolarHBondContact NE1-OG 3.13Å; I791-S794 VanDerWaalsContact O-CB 3.26Å; I791-S794 WeakPolarHBondContact O-CB 3.38Å; I791-S794 PolarHBondContact O-N 3.19Å; I791-S794 VanDerWaalsContact O-N 3.08Å; I791-S794 PolarHBondContact O-OG 2.88Å; S792-S794 PolarHBondContact O-N 3.5Å; S794-A839 CarbonylContact O-C 3.47Å; S794-A839 WeakPolarHBondContact O-CA 3.23Å; S794-L840 PolarHBondContact O-N 2.99Å
795	Q	95.3	Very high	90.2	Very high	131 Å²	131	54.3 Å²	54.3	61%	0.612	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.9	179.9	65.6	-177.9	32.2	0	0	110.9	A821	Q795-A821 VanDerWaalsContact C-CB 3.46Å
796	Y	94.7	Very high	90	Very high	82 Å²	82	55.3 Å²	55.3	32%	0.322	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	131.1	175.6	-175	-86.7	0	0	0	109.7	K798 E822 V825 F837 A838	Y796-K798 HydrophobicContact CD1-CG 4.44Å; Y796-K798 HydrophobicContact CE1-CG 3.64Å; Y796-E822 HydrophobicContact CD2-CB 3.63Å; Y796-E822 HydrophobicContact CD2-CG 3.89Å; Y796-E822 HydrophobicContact CE2-CB 4.03Å; Y796-E822 HydrophobicContact CE2-CG 3.72Å; Y796-E822 HydrophobicContact CG-CB 4.15Å; Y796-V825 HydrophobicContact CD1-CB 4.04Å; Y796-V825 HydrophobicContact CD1-CG1 4.15Å; Y796-V825 HydrophobicContact CD1-CG2 3.74Å; Y796-V825 HydrophobicContact CE1-CB 4.36Å; Y796-V825 HydrophobicContact CE1-CG1 4.07Å; Y796-V825 HydrophobicContact CE1-CG2 4.47Å; Y796-V825 HydrophobicContact CG-CG2 4.46Å; Y796-F837 WeakPolarHBondContact O-CA 3.2Å; Y796-F837 WeakPolarHBondContact O-CD2 3.43Å; Y796-A838 PolarHBondContact N-O 3.28Å; Y796-A838 PolarHBondContact O-N 3.27Å
797	T	92.4	Very high	89.8	Confident	80 Å²	80	62.6 Å²	62.6	49%	0.491	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.2	179.2	-169.4	0	0	0	0	110	S799	T797-S799 PolarHBondContact OG1-O 3.13Å; T797-S799 VanDerWaalsContact OG1-O 3.09Å
798	K	88.3	Confident	89.9	Confident	103 Å²	103	62.3 Å²	62.3	45%	0.448	35%	0.345	S	S	.	.	S	Bend	trans	-88.5	-32.3	168.9	-68.1	-173.1	176.9	162.9	0	111.3	Y796 V825 I836	Y796-K798 HydrophobicContact CD1-CG 4.44Å; Y796-K798 HydrophobicContact CE1-CG 3.64Å; K798-V825 HydrophobicContact CD-CG1 4.28Å; K798-V825 VanDerWaalsContact CE-CG1 3.42Å; K798-I836 PolarHBondContact N-O 3.17Å
799	S	86.1	Confident	90.1	Very high	56 Å²	56	62.5 Å²	62.5	39%	0.392	35%	0.346	S	S	.	.	S	Bend	trans	-155.7	146.7	-176.1	56.4	0	0	0	0	109.8	T797 P801 I836	T797-S799 PolarHBondContact OG1-O 3.13Å; T797-S799 VanDerWaalsContact OG1-O 3.09Å; S799-P801 WeakPolarHBondContact O-CD 3.41Å; S799-I836 WeakPolarHBondContact OG-CB 3.36Å; S799-I836 WeakPolarHBondContact OG-CG2 3.47Å
800	T	84.6	Confident	90.3	Very high	133 Å²	133	62.2 Å²	62.2	82%	0.816	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-59.2	120.6	177.5	-50	0	0	0	0	110.7	S802	T800-S802 PolarHBondContact O-N 3.32Å
801	P	82.2	Confident	90.5	Very high	47 Å²	47	65.2 Å²	65.2	31%	0.305	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-68.8	132.8	178.4	27.4	-32.7	0	0	0	110.4	S799 D805 I836 I855	S799-P801 WeakPolarHBondContact O-CD 3.41Å; P801-D805 HydrophobicContact CB-CB 4.39Å; P801-I836 HydrophobicContact CB-CD1 3.93Å; P801-I855 HydrophobicContact CB-CD1 4.34Å
802	S	85.1	Confident	90.6	Very high	50 Å²	50	63.3 Å²	63.3	35%	0.35	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-81.1	163.3	169.6	73.1	0	0	0	0	110.7	T800 S804 D805 I806	T800-S802 PolarHBondContact O-N 3.32Å; S802-S804 PolarHBondContact O-N 3.31Å; S802-S804 VanDerWaalsContact O-N 3.13Å; S802-S804 PolarHBondContact OG-N 3.31Å; S802-S804 PolarHBondContact OG-OG 3.5Å; S802-D805 VanDerWaalsContact CB-OD2 3.32Å; S802-D805 WeakPolarHBondContact CB-OD2 3.32Å; S802-D805 PolarHBondContact N-OD2 2.88Å; S802-D805 WeakPolarHBondContact O-CB 3.25Å; S802-D805 PolarHBondContact O-N 3.23Å; S802-D805 VanDerWaalsContact OG-CG 3.27Å; S802-D805 PolarHBondContact OG-N 2.89Å; S802-D805 PolarHBondContact OG-OD2 3.27Å; S802-I806 PolarHBondContact O-N 3.17Å
803	S	82.6	Confident	90.8	Very high	104 Å²	104	60.6 Å²	60.6	73%	0.727	33%	0.33	S	S	*	.	H	α-helix	trans	-56.4	-30.8	175.1	59.9	0	0	0	0	113	D805	S803-D805 VanDerWaalsContact C-N 3.32Å
804	S	83	Confident	90.8	Very high	65 Å²	65	60.8 Å²	60.8	46%	0.455	34%	0.337	S	S	.	.	H	α-helix	trans	-71.2	-25.9	176.4	78.6	0	0	0	0	113.3	S802 R808	S802-S804 PolarHBondContact O-N 3.31Å; S802-S804 VanDerWaalsContact O-N 3.13Å; S802-S804 PolarHBondContact OG-N 3.31Å; S802-S804 PolarHBondContact OG-OG 3.5Å; S804-R808 PolarHBondContact O-NH2 3.24Å; S804-R808 PolarHBondContact OG-NH2 3.47Å
805	D	86.5	Confident	90.8	Very high	19 Å²	19	60.7 Å²	60.7	10%	0.102	34%	0.335	C	S	.	.	H	α-helix	trans	-75.8	-30.7	178.9	-61.2	-52.7	0	0	0	111.6	P801 S802 S803 K807 R808 I836 I855	P801-D805 HydrophobicContact CB-CB 4.39Å; S802-D805 VanDerWaalsContact CB-OD2 3.32Å; S802-D805 WeakPolarHBondContact CB-OD2 3.32Å; S802-D805 PolarHBondContact N-OD2 2.88Å; S802-D805 WeakPolarHBondContact O-CB 3.25Å; S802-D805 PolarHBondContact O-N 3.23Å; S802-D805 VanDerWaalsContact OG-CG 3.27Å; S802-D805 PolarHBondContact OG-N 2.89Å; S802-D805 PolarHBondContact OG-OD2 3.27Å; S803-D805 VanDerWaalsContact C-N 3.32Å; D805-K807 PolarHBondContact O-N 3.47Å; D805-K807 VanDerWaalsContact O-N 3.16Å; D805-R808 WeakPolarHBondContact O-CA 3.32Å; D805-R808 WeakPolarHBondContact O-CB 3.44Å; D805-R808 PolarHBondContact O-N 2.93Å; D805-R808 IonicContact OD1-CZ 2.74Å; D805-R808 IonicContact OD1-NE 3.48Å; D805-R808 IonicContact OD1-NH2 3.63Å; D805-R808 PolarHBondContact OD1-NH2 3.43Å; D805-I836 HydrophobicContact CB-CD1 3.63Å; D805-I855 HydrophobicContact CB-CG2 3.86Å; D805-I855 VanDerWaalsContact O-CG2 3.25Å; D805-I855 WeakPolarHBondContact O-CG2 3.41Å
806	I	88.7	Confident	90.6	Very high	75 Å²	75	55.6 Å²	55.6	39%	0.385	31%	0.311	S	S	.	.	H	α-helix	trans	-58.1	-34.2	-177.1	-60.1	174.7	0	0	0	111.8	S802 R808 T809	S802-I806 PolarHBondContact O-N 3.17Å; I806-R808 PolarHBondContact O-N 3.11Å; I806-T809 VanDerWaalsContact O-CB 3.31Å; I806-T809 WeakPolarHBondContact O-CB 3.47Å; I806-T809 PolarHBondContact O-N 3.36Å; I806-T809 PolarHBondContact O-OG1 2.65Å
807	K	89.9	Confident	90.2	Very high	155 Å²	155	52.7 Å²	52.7	67%	0.674	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.7	175.6	-64.9	-173	178.2	-175.9	0	113.9	D805 T809	D805-K807 PolarHBondContact O-N 3.47Å; D805-K807 VanDerWaalsContact O-N 3.16Å; K807-T809 VanDerWaalsContact C-N 3.35Å
808	R	94.6	Very high	90	Very high	47 Å²	47	50.7 Å²	50.7	18%	0.177	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	31.5	177.9	-65.1	178.5	-74.3	-132.4	-13.8	111.3	S804 D805 I806 F856 S857 Y862	S804-R808 PolarHBondContact O-NH2 3.24Å; S804-R808 PolarHBondContact OG-NH2 3.47Å; D805-R808 WeakPolarHBondContact O-CA 3.32Å; D805-R808 WeakPolarHBondContact O-CB 3.44Å; D805-R808 PolarHBondContact O-N 2.93Å; D805-R808 IonicContact OD1-CZ 2.74Å; D805-R808 IonicContact OD1-NE 3.48Å; D805-R808 IonicContact OD1-NH2 3.63Å; D805-R808 PolarHBondContact OD1-NH2 3.43Å; I806-R808 PolarHBondContact O-N 3.11Å; R808-F856 HydrophobicContact CB-CB 4.37Å; R808-F856 WeakPolarHBondContact CB-O 3.37Å; R808-F856 PolarHBondContact NE-O 2.71Å; R808-F856 VanDerWaalsContact NE-O 3.11Å; R808-F856 PolarHBondContact O-N 3.5Å; R808-F856 VanDerWaalsContact O-N 3.16Å; R808-S857 PolarHBondContact NE-O 3.37Å; R808-S857 PolarHBondContact NH1-O 3.36Å; R808-Y862 HydrophobicContact CB-CD2 4.13Å; R808-Y862 HydrophobicContact CB-CG 4.07Å; R808-Y862 HydrophobicContact CG-CG 4.29Å; R808-Y862 WeakPolarHBondContact O-CD2 3.48Å
809	T	96.5	Very high	90.2	Very high	9 Å²	9	46 Å²	46	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.7	175.1	-53.7	0	0	0	0	110	I806 K807 R853 V854 I855 Y887	I806-T809 VanDerWaalsContact O-CB 3.31Å; I806-T809 WeakPolarHBondContact O-CB 3.47Å; I806-T809 PolarHBondContact O-N 3.36Å; I806-T809 PolarHBondContact O-OG1 2.65Å; K807-T809 VanDerWaalsContact C-N 3.35Å; T809-R853 HydrophobicContact CG2-CB 3.97Å; T809-R853 HydrophobicContact CG2-CG 4.25Å; T809-V854 CarbonylContact C-O 3.58Å; T809-V854 WeakPolarHBondContact CA-O 3.48Å; T809-I855 HydrophobicContact CG2-CG1 4.05Å; T809-I855 WeakPolarHBondContact OG1-CG1 3.48Å; T809-Y887 HydrophobicContact CG2-CD1 4.42Å; T809-Y887 HydrophobicContact CG2-CD2 4.27Å; T809-Y887 HydrophobicContact CG2-CG 3.89Å; T809-Y887 WeakPolarHBondContact O-CB 3.33Å; T809-Y887 PolarHBondContact O-N 3.39Å; T809-Y887 VanDerWaalsContact O-N 3.11Å
810	V	97.1	Very high	90.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	143.1	168.2	-53.6	0	0	0	0	109.8	V812 M828 R853 V854 F856 Y862 A865 I866 I884 D885	V810-V812 HydrophobicContact CG2-CG2 4.05Å; V810-M828 HydrophobicContact CG2-CE 4.12Å; V810-R853 VanDerWaalsContact O-CA 3.3Å; V810-R853 WeakPolarHBondContact O-CA 3.18Å; V810-V854 HydrophobicContact CG2-CB 3.8Å; V810-V854 PolarHBondContact N-O 3.36Å; V810-V854 PolarHBondContact O-N 2.93Å; V810-F856 HydrophobicContact CB-CE2 4.45Å; V810-F856 HydrophobicContact CG1-CD2 4.23Å; V810-F856 HydrophobicContact CG1-CE2 3.76Å; V810-F856 HydrophobicContact CG2-CE2 3.76Å; V810-Y862 HydrophobicContact CG1-CD2 3.59Å; V810-Y862 HydrophobicContact CG1-CE2 3.66Å; V810-A865 HydrophobicContact CG1-CB 4.4Å; V810-I866 HydrophobicContact CB-CD1 4.21Å; V810-I866 HydrophobicContact CG1-CD1 3.5Å; V810-I866 HydrophobicContact CG1-CG1 4.28Å; V810-I884 HydrophobicContact CB-CG2 3.94Å; V810-I884 HydrophobicContact CG1-CG2 4.32Å; V810-I884 HydrophobicContact CG2-CG2 4.01Å; V810-D885 CarbonylContact C-O 3.59Å; V810-D885 WeakPolarHBondContact CA-O 3.3Å
811	F	97.1	Very high	91.1	Very high	63 Å²	63	37.2 Å²	37.2	28%	0.276	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	136	163.7	177.1	-100.2	0	0	0	109.1	I884 D885 Y887	F811-I884 WeakPolarHBondContact O-CA 3.47Å; F811-D885 PolarHBondContact N-O 3.26Å; F811-D885 PolarHBondContact O-N 2.92Å; F811-Y887 HydrophobicContact CB-CD2 4.19Å
812	V	97.3	Very high	91.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.5	175.3	-170.5	0	0	0	0	109.1	V810 L815 L824 M828 S851 G852 V854 I882 Q883	V810-V812 HydrophobicContact CG2-CG2 4.05Å; V812-L815 HydrophobicContact CB-CD2 4.5Å; V812-L815 HydrophobicContact CG1-CD2 3.62Å; V812-L815 HydrophobicContact CG1-CG 4.13Å; V812-L824 HydrophobicContact CG1-CD1 4.47Å; V812-M828 HydrophobicContact CG2-CE 4.37Å; V812-S851 CarbonylContact O-C 3.51Å; V812-S851 WeakPolarHBondContact O-CA 3.37Å; V812-S851 WeakPolarHBondContact O-CB 3.21Å; V812-G852 PolarHBondContact N-O 3.49Å; V812-G852 PolarHBondContact O-N 3.09Å; V812-V854 HydrophobicContact CG2-CG2 3.87Å; V812-I882 HydrophobicContact CG1-CB 4.34Å; V812-I882 HydrophobicContact CG1-CD1 3.77Å; V812-Q883 CarbonylContact C-O 3.47Å; V812-Q883 VanDerWaalsContact CA-O 3.29Å; V812-Q883 WeakPolarHBondContact CA-O 3.44Å
813	G	95.2	Very high	92.1	Very high	9 Å²	9	37.4 Å²	37.4	9%	0.093	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	167.6	178.4	0	0	0	0	0	113.2	L815 Q883	G813-L815 VanDerWaalsContact C-N 3.25Å; G813-L815 PolarHBondContact O-N 3.33Å; G813-Q883 PolarHBondContact N-O 2.98Å; G813-Q883 PolarHBondContact O-N 3.49Å; G813-Q883 VanDerWaalsContact O-N 3.1Å
814	A	94.3	Very high	92.8	Very high	36 Å²	36	32.5 Å²	32.5	30%	0.298	17%	0.171	S	C	.	.	S	Bend	trans	60.4	28.7	177.1	0	0	0	0	0	114.8	A663 G850 K880	A663-A814 HydrophobicContact CB-CB 3.98Å; A814-G850 PolarHBondContact N-O 3.16Å; A814-G850 VanDerWaalsContact N-O 3.12Å; A814-K880 WeakPolarHBondContact O-CE 3.28Å
815	L	95.4	Very high	93.4	Very high	11 Å²	11	29.4 Å²	29.4	6%	0.058	15%	0.149	C	C	.	.			trans	-62.1	140.1	175.6	-65.8	177.3	0	0	0	111.2	V812 G813 I819 L824 L840 G850 I882	V812-L815 HydrophobicContact CB-CD2 4.5Å; V812-L815 HydrophobicContact CG1-CD2 3.62Å; V812-L815 HydrophobicContact CG1-CG 4.13Å; G813-L815 VanDerWaalsContact C-N 3.25Å; G813-L815 PolarHBondContact O-N 3.33Å; L815-I819 HydrophobicContact CD2-CD1 4.2Å; L815-I819 HydrophobicContact CD2-CG2 4.5Å; L815-L824 HydrophobicContact CD1-CD2 4.04Å; L815-L824 HydrophobicContact CD2-CD1 3.97Å; L815-L840 HydrophobicContact CD1-CD2 3.59Å; L815-G850 PolarHBondContact N-O 3.33Å; L815-I882 HydrophobicContact CD2-CG2 4.01Å
816	H	90.8	Very high	93.8	Very high	23 Å²	23	31.6 Å²	31.6	11%	0.106	16%	0.163	C	C	.	.			trans	-76	147.6	174.3	-168.9	-94.6	0	0	0	111.1	L818 I819 F878 K880	H816-L818 PolarHBondContact ND1-N 3.35Å; H816-L818 PolarHBondContact O-N 3.27Å; H816-I819 HydrophobicContact CB-CD1 4.02Å; H816-I819 HydrophobicContact CB-CG1 4.2Å; H816-I819 WeakPolarHBondContact O-CB 3.3Å; H816-I819 PolarHBondContact O-N 2.94Å; H816-F878 HydrophobicContact CB-CD2 4.02Å; H816-F878 HydrophobicContact CB-CE1 4.2Å; H816-F878 HydrophobicContact CB-CE2 3.61Å; H816-F878 HydrophobicContact CB-CG 4.5Å; H816-F878 HydrophobicContact CB-CZ 3.72Å; H816-F878 AromaticContact CD2-CD2 3.95Å; H816-F878 AromaticContact CD2-CG 3.86Å; H816-F878 AromaticContact CE1-CD1 3.52Å; H816-F878 AromaticContact CE1-CG 3.81Å; H816-F878 AromaticContact CG-CD1 3.84Å; H816-F878 AromaticContact CG-CD2 3.77Å; H816-F878 AromaticContact CG-CE1 3.85Å; H816-F878 AromaticContact CG-CE2 3.81Å; H816-F878 AromaticContact CG-CG 3.8Å; H816-F878 AromaticContact CG-CZ 3.85Å; H816-F878 AromaticContact ND1-CD1 3.35Å; H816-F878 VanDerWaalsContact ND1-CD1 3.35Å; H816-F878 WeakPolarHBondContact ND1-CD1 3.44Å; H816-F878 AromaticContact ND1-CE1 3.36Å; H816-F878 WeakPolarHBondContact ND1-CE1 3.29Å; H816-F878 AromaticContact ND1-CG 3.76Å; H816-F878 AromaticContact ND1-CZ 3.83Å; H816-F878 AromaticContact NE2-CG 3.89Å; H816-K880 HydrophobicContact CB-CB 4.5Å; H816-K880 HydrophobicContact CB-CG 4.43Å
817	A	86	Confident	94.2	Very high	22 Å²	22	28 Å²	28	18%	0.182	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.6	-176.4	0	0	0	0	0	114.7	C86 A88 W789	C86-A817 HydrophobicContact CB-CB 4.3Å; A88-A817 HydrophobicContact CB-CB 3.89Å; W789-A817 WeakPolarHBondContact CZ3-O 3.5Å
818	L	87.7	Confident	94.6	Very high	38 Å²	38	20.6 Å²	20.6	20%	0.199	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-9	177.5	-65.8	176.9	0	0	0	113.8	L680 R683 H816 K877 F878	L680-L818 HydrophobicContact CD1-CB 4.4Å; R683-L818 VanDerWaalsContact NH2-C 3.32Å; R683-L818 PolarHBondContact NH2-O 3.42Å; H816-L818 PolarHBondContact ND1-N 3.35Å; H816-L818 PolarHBondContact O-N 3.27Å; L818-K877 HydrophobicContact CD1-CB 4.21Å; L818-K877 HydrophobicContact CD1-CD 3.93Å; L818-F878 HydrophobicContact CB-CE1 3.96Å; L818-F878 HydrophobicContact CD1-CD1 4.05Å; L818-F878 HydrophobicContact CD1-CE1 4.23Å
819	I	93.2	Very high	94.6	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.021	12%	0.117	C	C	.	.			trans	-81.2	119.2	-179.7	-63.6	174.5	0	0	0	108.8	L815 H816 I823 L824 L840 I873 F878	L815-I819 HydrophobicContact CD2-CD1 4.2Å; L815-I819 HydrophobicContact CD2-CG2 4.5Å; H816-I819 HydrophobicContact CB-CD1 4.02Å; H816-I819 HydrophobicContact CB-CG1 4.2Å; H816-I819 WeakPolarHBondContact O-CB 3.3Å; H816-I819 PolarHBondContact O-N 2.94Å; I819-I823 HydrophobicContact CG2-CB 4.41Å; I819-I823 HydrophobicContact CG2-CG2 4.19Å; I819-L824 HydrophobicContact CG2-CB 3.93Å; I819-L840 WeakPolarHBondContact O-CD1 3.33Å; I819-I873 HydrophobicContact CD1-CD1 3.63Å; I819-F878 HydrophobicContact CD1-CE2 4.41Å; I819-F878 HydrophobicContact CD1-CZ 4.12Å; I819-F878 HydrophobicContact CG1-CZ 3.9Å
820	T	94.3	Very high	94.6	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.031	13%	0.133	C	C	.	.			trans	-87.8	168.2	168.2	62.7	0	0	0	0	110.4	R683 W789 D793 E822 I823 L824	R683-T820 VanDerWaalsContact NH2-CG2 3.29Å; W789-T820 HydrophobicContact CH2-CG2 4.29Å; D793-T820 HydrophobicContact CB-CG2 3.73Å; D793-T820 WeakPolarHBondContact OD2-CG2 3.49Å; T820-E822 VanDerWaalsContact C-N 3.26Å; T820-E822 PolarHBondContact O-N 3.1Å; T820-I823 HydrophobicContact CG2-CD1 4.18Å; T820-I823 PolarHBondContact O-N 3.26Å; T820-I823 WeakPolarHBondContact OG1-CD1 3.42Å; T820-I823 WeakPolarHBondContact OG1-CG1 3.42Å; T820-I823 PolarHBondContact OG1-N 2.92Å; T820-I823 VanDerWaalsContact OG1-N 3.16Å; T820-L824 WeakPolarHBondContact O-CB 3.47Å; T820-L824 PolarHBondContact O-N 3.28Å
821	A	96.1	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-38.9	172.6	0	0	0	0	0	112	D793 Q795 L824 V825 L840	D793-A821 WeakPolarHBondContact O-CB 3.37Å; D793-A821 PolarHBondContact O-N 3.29Å; Q795-A821 VanDerWaalsContact C-CB 3.46Å; A821-L824 PolarHBondContact O-N 3.15Å; A821-V825 WeakPolarHBondContact O-CG2 3.24Å; A821-V825 PolarHBondContact O-N 3.22Å; A821-L840 HydrophobicContact CB-CG 4.42Å
822	E	94.2	Very high	94.6	Very high	93 Å²	93	23.2 Å²	23.2	44%	0.435	13%	0.132	S	C	.	.	H	α-helix	trans	-60.8	-49.8	174.8	-178.9	179.4	-152.6	0	0	111.9	Y796 T820 L824 V825 T826	Y796-E822 HydrophobicContact CD2-CB 3.63Å; Y796-E822 HydrophobicContact CD2-CG 3.89Å; Y796-E822 HydrophobicContact CE2-CB 4.03Å; Y796-E822 HydrophobicContact CE2-CG 3.72Å; Y796-E822 HydrophobicContact CG-CB 4.15Å; T820-E822 VanDerWaalsContact C-N 3.26Å; T820-E822 PolarHBondContact O-N 3.1Å; E822-L824 VanDerWaalsContact C-N 3.27Å; E822-L824 PolarHBondContact O-N 3.34Å; E822-V825 PolarHBondContact O-N 3.48Å; E822-V825 VanDerWaalsContact O-N 3.16Å; E822-T826 PolarHBondContact O-N 2.89Å; E822-T826 PolarHBondContact O-OG1 3.29Å
823	I	94.5	Very high	94.6	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-59.6	-42.6	177.4	-69.2	163.4	0	0	0	110.3	L680 P681 I819 T820 V825 T826 I827	L680-I823 HydrophobicContact CD2-CD1 4.18Å; L680-I823 HydrophobicContact CD2-CG2 3.84Å; P681-I823 HydrophobicContact CG-CG1 4.34Å; I819-I823 HydrophobicContact CG2-CB 4.41Å; I819-I823 HydrophobicContact CG2-CG2 4.19Å; T820-I823 HydrophobicContact CG2-CD1 4.18Å; T820-I823 PolarHBondContact O-N 3.26Å; T820-I823 WeakPolarHBondContact OG1-CD1 3.42Å; T820-I823 WeakPolarHBondContact OG1-CG1 3.42Å; T820-I823 PolarHBondContact OG1-N 2.92Å; T820-I823 VanDerWaalsContact OG1-N 3.16Å; I823-V825 VanDerWaalsContact C-N 3.33Å; I823-V825 PolarHBondContact O-N 3.49Å; I823-T826 PolarHBondContact O-N 3.09Å; I823-I827 HydrophobicContact CG2-CD1 3.73Å; I823-I827 HydrophobicContact CG2-CG1 4.31Å; I823-I827 VanDerWaalsContact O-CG1 3.29Å; I823-I827 WeakPolarHBondContact O-CG1 3.3Å; I823-I827 PolarHBondContact O-N 2.84Å
824	L	96.9	Very high	94.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-41.8	178	-176.9	58.7	0	0	0	111.5	V812 L815 I819 T820 A821 E822 I827 M828 A838 L840 V854	V812-L824 HydrophobicContact CG1-CD1 4.47Å; L815-L824 HydrophobicContact CD1-CD2 4.04Å; L815-L824 HydrophobicContact CD2-CD1 3.97Å; I819-L824 HydrophobicContact CG2-CB 3.93Å; T820-L824 WeakPolarHBondContact O-CB 3.47Å; T820-L824 PolarHBondContact O-N 3.28Å; A821-L824 PolarHBondContact O-N 3.15Å; E822-L824 VanDerWaalsContact C-N 3.27Å; E822-L824 PolarHBondContact O-N 3.34Å; L824-I827 PolarHBondContact O-N 2.95Å; L824-M828 HydrophobicContact CD1-CG 3.81Å; L824-M828 HydrophobicContact CD1-SD 4.45Å; L824-M828 HydrophobicContact CG-CG 4.27Å; L824-M828 WeakPolarHBondContact O-CB 3.37Å; L824-M828 WeakPolarHBondContact O-CG 3.48Å; L824-M828 PolarHBondContact O-N 2.86Å; L824-A838 HydrophobicContact CD2-CB 4.26Å; L824-A838 HydrophobicContact CG-CB 4.45Å; L824-L840 HydrophobicContact CD2-CD2 4.05Å; L824-V854 HydrophobicContact CD1-CG2 4.42Å; L824-V854 HydrophobicContact CD2-CG2 3.68Å; L824-V854 HydrophobicContact CG-CG2 3.82Å
825	V	95.8	Very high	94.8	Very high	1 Å²	1	26 Å²	26	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-61	-44.1	174.4	168.7	0	0	0	0	111.4	Y796 K798 A821 E822 I823 N829 V835 A838	Y796-V825 HydrophobicContact CD1-CB 4.04Å; Y796-V825 HydrophobicContact CD1-CG1 4.15Å; Y796-V825 HydrophobicContact CD1-CG2 3.74Å; Y796-V825 HydrophobicContact CE1-CB 4.36Å; Y796-V825 HydrophobicContact CE1-CG1 4.07Å; Y796-V825 HydrophobicContact CE1-CG2 4.47Å; Y796-V825 HydrophobicContact CG-CG2 4.46Å; K798-V825 HydrophobicContact CD-CG1 4.28Å; K798-V825 VanDerWaalsContact CE-CG1 3.42Å; A821-V825 WeakPolarHBondContact O-CG2 3.24Å; A821-V825 PolarHBondContact O-N 3.22Å; E822-V825 PolarHBondContact O-N 3.48Å; E822-V825 VanDerWaalsContact O-N 3.16Å; I823-V825 VanDerWaalsContact C-N 3.33Å; I823-V825 PolarHBondContact O-N 3.49Å; V825-N829 WeakPolarHBondContact O-CB 3.47Å; V825-N829 PolarHBondContact O-N 3.45Å; V825-V835 HydrophobicContact CB-CG1 4.25Å; V825-V835 HydrophobicContact CG1-CB 4.31Å; V825-V835 HydrophobicContact CG1-CG1 3.91Å; V825-V835 HydrophobicContact CG2-CG1 3.86Å; V825-A838 HydrophobicContact CG2-CB 3.38Å
826	T	95.1	Very high	94.8	Very high	64 Å²	64	26 Å²	26	39%	0.393	15%	0.145	S	C	.	.	H	α-helix	trans	-58.9	-53.4	177	-59.5	0	0	0	0	111.1	E822 I823 M828 N829 D830	E822-T826 PolarHBondContact O-N 2.89Å; E822-T826 PolarHBondContact O-OG1 3.29Å; I823-T826 PolarHBondContact O-N 3.09Å; T826-M828 PolarHBondContact O-N 3.3Å; T826-N829 PolarHBondContact O-N 2.92Å; T826-D830 WeakPolarHBondContact O-CB 3.42Å; T826-D830 PolarHBondContact O-N 2.91Å
827	I	96.6	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56	-50.8	-179.7	-65.6	172.4	0	0	0	111.2	W676 I823 L824 N829 D830 L831 I873	W676-I827 HydrophobicContact CB-CG2 4Å; W676-I827 HydrophobicContact CD2-CB 4.31Å; W676-I827 HydrophobicContact CD2-CD1 4.41Å; W676-I827 HydrophobicContact CD2-CG1 3.67Å; W676-I827 HydrophobicContact CD2-CG2 4.21Å; W676-I827 HydrophobicContact CE3-CD1 4.03Å; W676-I827 HydrophobicContact CE3-CG1 3.77Å; W676-I827 HydrophobicContact CG-CB 4.38Å; W676-I827 HydrophobicContact CG-CG1 4.24Å; W676-I827 HydrophobicContact CG-CG2 3.91Å; W676-I827 HydrophobicContact CH2-CD1 4.36Å; W676-I827 HydrophobicContact CH2-CG1 3.91Å; W676-I827 HydrophobicContact CZ2-CG1 3.84Å; W676-I827 HydrophobicContact CZ3-CD1 3.99Å; W676-I827 HydrophobicContact CZ3-CG1 3.88Å; I823-I827 HydrophobicContact CG2-CD1 3.73Å; I823-I827 HydrophobicContact CG2-CG1 4.31Å; I823-I827 VanDerWaalsContact O-CG1 3.29Å; I823-I827 WeakPolarHBondContact O-CG1 3.3Å; I823-I827 PolarHBondContact O-N 2.84Å; L824-I827 PolarHBondContact O-N 2.95Å; I827-N829 PolarHBondContact O-N 3.12Å; I827-D830 PolarHBondContact O-N 3.2Å; I827-L831 HydrophobicContact CG2-CD1 4.11Å; I827-L831 WeakPolarHBondContact O-CG 3.47Å; I827-L831 PolarHBondContact O-N 3.15Å; I827-I873 HydrophobicContact CD1-CD1 3.87Å; I827-I873 HydrophobicContact CD1-CG1 4.32Å; I827-I873 HydrophobicContact CD1-CG2 4.06Å; I827-I873 HydrophobicContact CG2-CD1 4.42Å; I827-I873 HydrophobicContact CG2-CG1 4.37Å
828	M	97.5	Very high	95.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-70.9	-33.7	-175.5	-64.2	-69.3	-68.4	0	0	111.9	V810 V812 L824 T826 F832 V835 V854 F856 A865 I884	V810-M828 HydrophobicContact CG2-CE 4.12Å; V812-M828 HydrophobicContact CG2-CE 4.37Å; L824-M828 HydrophobicContact CD1-CG 3.81Å; L824-M828 HydrophobicContact CD1-SD 4.45Å; L824-M828 HydrophobicContact CG-CG 4.27Å; L824-M828 WeakPolarHBondContact O-CB 3.37Å; L824-M828 WeakPolarHBondContact O-CG 3.48Å; L824-M828 PolarHBondContact O-N 2.86Å; T826-M828 PolarHBondContact O-N 3.3Å; M828-F832 HydrophobicContact CE-CD2 3.96Å; M828-F832 HydrophobicContact CE-CE2 3.89Å; M828-F832 PolarHBondContact O-N 3.44Å; M828-F832 HydrophobicContact SD-CD2 4.31Å; M828-F832 HydrophobicContact SD-CE2 4Å; M828-V835 HydrophobicContact CB-CG2 3.8Å; M828-V854 HydrophobicContact CB-CG1 4.22Å; M828-V854 HydrophobicContact CE-CG1 4.48Å; M828-V854 HydrophobicContact CG-CG1 4.37Å; M828-V854 HydrophobicContact CG-CG2 4.18Å; M828-F856 HydrophobicContact CE-CE2 4.47Å; M828-F856 HydrophobicContact CE-CZ 3.92Å; M828-A865 HydrophobicContact CE-CB 4.4Å; M828-I884 HydrophobicContact CE-CD1 3.88Å; M828-I884 HydrophobicContact CE-CG1 4.39Å; M828-I884 HydrophobicContact SD-CD1 4.05Å
829	N	96.1	Very high	96	Very high	50 Å²	50	24.7 Å²	24.7	27%	0.267	14%	0.135	S	C	.	.	H	α-helix	trans	-72.4	-37.7	177.2	-170.1	79.2	0	0	0	111.9	V825 T826 I827 L831 G833 N834 V835	V825-N829 WeakPolarHBondContact O-CB 3.47Å; V825-N829 PolarHBondContact O-N 3.45Å; T826-N829 PolarHBondContact O-N 2.92Å; I827-N829 PolarHBondContact O-N 3.12Å; N829-L831 VanDerWaalsContact C-N 3.31Å; N829-L831 PolarHBondContact O-N 3.18Å; N829-G833 WeakPolarHBondContact O-CA 3.42Å; N829-G833 PolarHBondContact O-N 3.34Å; N829-N834 PolarHBondContact OD1-N 3.36Å; N829-V835 HydrophobicContact CB-CB 4.14Å; N829-V835 HydrophobicContact CB-CG2 4.03Å; N829-V835 PolarHBondContact OD1-N 3.44Å
830	D	96.3	Very high	96.3	Very high	72 Å²	72	25 Å²	25	39%	0.385	14%	0.137	S	C	.	.	H	α-helix	trans	-64.7	-37.6	175.9	-67.9	-11.6	0	0	0	111.7	W676 T826 I827	W676-D830 PolarHBondContact NE1-OD2 3.16Å; T826-D830 WeakPolarHBondContact O-CB 3.42Å; T826-D830 PolarHBondContact O-N 2.91Å; I827-D830 PolarHBondContact O-N 3.2Å
831	L	96.8	Very high	96.3	Very high	38 Å²	38	26 Å²	26	20%	0.199	14%	0.142	C	C	.	.	H	α-helix	trans	-79.5	-45.9	-179	-68.6	173.3	0	0	0	113.4	W676 I827 N829 V871	W676-L831 HydrophobicContact CB-CD1 4.08Å; W676-L831 HydrophobicContact CB-CD2 4.22Å; W676-L831 HydrophobicContact CB-CG 4.26Å; I827-L831 HydrophobicContact CG2-CD1 4.11Å; I827-L831 WeakPolarHBondContact O-CG 3.47Å; I827-L831 PolarHBondContact O-N 3.15Å; N829-L831 VanDerWaalsContact C-N 3.31Å; N829-L831 PolarHBondContact O-N 3.18Å; L831-V871 HydrophobicContact CD1-CB 4.44Å; L831-V871 HydrophobicContact CD1-CG1 3.48Å; L831-V871 VanDerWaalsContact CD1-CG1 3.48Å; L831-V871 HydrophobicContact CD1-CG2 4.08Å
832	F	97.4	Very high	96.3	Very high	13 Å²	13	28.7 Å²	28.7	6%	0.057	16%	0.159	C	C	.	.	H	α-helix	trans	-121.4	-17	-167.4	-49.3	-61.7	0	0	0	114.2	Y674 M828 F856 S861 K864 A865 A868 V871 I884	Y674-F832 HydrophobicContact CD1-CE1 4.34Å; Y674-F832 HydrophobicContact CE1-CE1 4.44Å; M828-F832 HydrophobicContact CE-CD2 3.96Å; M828-F832 HydrophobicContact CE-CE2 3.89Å; M828-F832 PolarHBondContact O-N 3.44Å; M828-F832 HydrophobicContact SD-CD2 4.31Å; M828-F832 HydrophobicContact SD-CE2 4Å; F832-F856 HydrophobicContact CB-CE1 3.95Å; F832-F856 HydrophobicContact CB-CZ 4.38Å; F832-F856 HydrophobicContact CD2-CZ 4.35Å; F832-S861 VanDerWaalsContact O-CB 3.29Å; F832-S861 WeakPolarHBondContact O-CB 3.42Å; F832-S861 PolarHBondContact O-OG 3.07Å; F832-K864 HydrophobicContact CD1-CB 4.03Å; F832-A865 HydrophobicContact CD1-CB 4.35Å; F832-A865 HydrophobicContact CD2-CB 3.74Å; F832-A865 HydrophobicContact CE2-CB 3.96Å; F832-A865 HydrophobicContact CG-CB 3.94Å; F832-A865 HydrophobicContact CZ-CB 4.36Å; F832-A868 HydrophobicContact CE1-CB 3.68Å; F832-A868 HydrophobicContact CZ-CB 3.58Å; F832-V871 HydrophobicContact CE2-CG2 4.43Å; F832-V871 HydrophobicContact CZ-CG2 4Å; F832-I884 HydrophobicContact CE2-CD1 3.77Å; F832-I884 HydrophobicContact CZ-CD1 4.01Å
833	G	96.4	Very high	96.3	Very high	20 Å²	20	25.9 Å²	25.9	21%	0.206	15%	0.146	C	C	.	.			trans	72.3	171.2	-176.7	0	0	0	0	0	114.3	N829 V835 F856 S861	N829-G833 WeakPolarHBondContact O-CA 3.42Å; N829-G833 PolarHBondContact O-N 3.34Å; G833-V835 VanDerWaalsContact C-N 3.3Å; G833-V835 PolarHBondContact O-N 3.03Å; G833-F856 WeakPolarHBondContact O-CD1 3.33Å; G833-S861 WeakPolarHBondContact O-CB 3.44Å; G833-S861 PolarHBondContact O-OG 2.99Å
834	N	96.1	Very high	96.3	Very high	81 Å²	81	31.8 Å²	31.8	43%	0.433	17%	0.172	S	C	.	.			trans	57.7	33.7	167.9	-57.4	-43.9	0	0	0	115.5	N829 F856 S857 S858 S861	N829-N834 PolarHBondContact OD1-N 3.36Å; N834-F856 CarbonylContact O-C 3.58Å; N834-F856 VanDerWaalsContact O-CA 3.28Å; N834-F856 WeakPolarHBondContact O-CA 3.44Å; N834-S857 PolarHBondContact O-N 3.39Å; N834-S857 PolarHBondContact O-OG 3.16Å; N834-S858 WeakPolarHBondContact ND2-CB 3.44Å; N834-S861 PolarHBondContact ND2-OG 3.36Å
835	V	96.9	Very high	96.1	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	125.6	173.5	179.4	0	0	0	0	109.3	V825 M828 N829 G833 V854 F856	V825-V835 HydrophobicContact CB-CG1 4.25Å; V825-V835 HydrophobicContact CG1-CB 4.31Å; V825-V835 HydrophobicContact CG1-CG1 3.91Å; V825-V835 HydrophobicContact CG2-CG1 3.86Å; M828-V835 HydrophobicContact CB-CG2 3.8Å; N829-V835 HydrophobicContact CB-CB 4.14Å; N829-V835 HydrophobicContact CB-CG2 4.03Å; N829-V835 PolarHBondContact OD1-N 3.44Å; G833-V835 VanDerWaalsContact C-N 3.3Å; G833-V835 PolarHBondContact O-N 3.03Å; V835-V854 HydrophobicContact CB-CG1 4.41Å; V835-V854 HydrophobicContact CG1-CG1 3.48Å; V835-V854 VanDerWaalsContact CG1-CG1 3.48Å; V835-V854 HydrophobicContact CG2-CG1 4.05Å; V835-F856 HydrophobicContact CG2-CD1 3.85Å; V835-F856 HydrophobicContact CG2-CE1 3.47Å; V835-F856 VanDerWaalsContact CG2-CE1 3.47Å; V835-F856 HydrophobicContact CG2-CZ 4.2Å
836	I	95.8	Very high	96.1	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.056	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-28.4	-179.8	57.9	169.9	0	0	0	113.3	K798 S799 P801 D805 I855	K798-I836 PolarHBondContact N-O 3.17Å; S799-I836 WeakPolarHBondContact OG-CB 3.36Å; S799-I836 WeakPolarHBondContact OG-CG2 3.47Å; P801-I836 HydrophobicContact CB-CD1 3.93Å; D805-I836 HydrophobicContact CB-CD1 3.63Å; I836-I855 HydrophobicContact CD1-CB 4.37Å; I836-I855 HydrophobicContact CD1-CG2 3.79Å; I836-I855 HydrophobicContact CG1-CB 3.98Å; I836-I855 HydrophobicContact CG1-CG2 3.9Å; I836-I855 WeakPolarHBondContact CG1-O 3.43Å; I836-I855 PolarHBondContact N-O 3.17Å
837	F	96.5	Very high	96.1	Very high	43 Å²	43	37.1 Å²	37.1	19%	0.189	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	143.8	-173	175.1	-91.6	0	0	0	110.4	Y796 A839 V854 I855	Y796-F837 WeakPolarHBondContact O-CA 3.2Å; Y796-F837 WeakPolarHBondContact O-CD2 3.43Å; F837-A839 HydrophobicContact CE1-CB 3.61Å; F837-A839 HydrophobicContact CZ-CB 3.65Å; F837-V854 WeakPolarHBondContact O-CA 3.22Å; F837-I855 HydrophobicContact CB-CB 4.13Å; F837-I855 HydrophobicContact CB-CD1 4.16Å; F837-I855 HydrophobicContact CB-CG1 4.26Å; F837-I855 HydrophobicContact CD1-CD1 3.56Å; F837-I855 HydrophobicContact CD1-CG1 3.82Å; F837-I855 HydrophobicContact CE1-CD1 4.27Å; F837-I855 HydrophobicContact CG-CD1 4.12Å; F837-I855 HydrophobicContact CG-CG1 4.47Å; F837-I855 PolarHBondContact O-N 3.04Å
838	A	97.5	Very high	96	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.6	161.7	0	0	0	0	0	111.3	Y796 L824 V825 R853 V854	Y796-A838 PolarHBondContact N-O 3.28Å; Y796-A838 PolarHBondContact O-N 3.27Å; L824-A838 HydrophobicContact CD2-CB 4.26Å; L824-A838 HydrophobicContact CG-CB 4.45Å; V825-A838 HydrophobicContact CG2-CB 3.38Å; A838-R853 CarbonylContact C-O 3.5Å; A838-R853 WeakPolarHBondContact CA-O 3.34Å; A838-V854 HydrophobicContact CB-CG2 4.02Å
839	A	97	Very high	95.7	Very high	12 Å²	12	40.7 Å²	40.7	10%	0.099	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.3	171	0	0	0	0	0	110.2	S794 F837 G852 R853	S794-A839 CarbonylContact O-C 3.47Å; S794-A839 WeakPolarHBondContact O-CA 3.23Å; F837-A839 HydrophobicContact CE1-CB 3.61Å; F837-A839 HydrophobicContact CZ-CB 3.65Å; A839-G852 CarbonylContact O-C 3.49Å; A839-G852 WeakPolarHBondContact O-CA 3.33Å; A839-R853 PolarHBondContact N-O 3.31Å; A839-R853 PolarHBondContact O-N 3.36Å
840	L	97.7	Very high	95.6	Very high	11 Å²	11	39 Å²	39	6%	0.058	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	139.9	171.7	-55.5	-178.6	0	0	0	109	W789 S794 L815 I819 A821 L824 P848	W789-L840 HydrophobicContact CH2-CD1 3.85Å; W789-L840 HydrophobicContact CZ2-CD1 3.73Å; S794-L840 PolarHBondContact O-N 2.99Å; L815-L840 HydrophobicContact CD1-CD2 3.59Å; I819-L840 WeakPolarHBondContact O-CD1 3.33Å; A821-L840 HydrophobicContact CB-CG 4.42Å; L824-L840 HydrophobicContact CD2-CD2 4.05Å; L840-P848 HydrophobicContact CD1-CB 4.41Å; L840-P848 HydrophobicContact CD1-CG 4.31Å
841	D	95.7	Very high	95.6	Very high	26 Å²	26	36.3 Å²	36.3	14%	0.139	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.4	168.2	-65.1	-42.2	0	0	0	108.8	P848 I849 S851 R853	D841-P848 WeakPolarHBondContact O-CA 3.33Å; D841-I849 HydrophobicContact CB-CD1 3.89Å; D841-I849 HydrophobicContact CB-CG1 3.81Å; D841-I849 WeakPolarHBondContact O-CG1 3.29Å; D841-I849 PolarHBondContact O-N 3.22Å; D841-S851 WeakPolarHBondContact CB-OG 3.22Å; D841-S851 PolarHBondContact N-O 3.32Å; D841-S851 WeakPolarHBondContact OD2-CB 3.22Å; D841-S851 PolarHBondContact OD2-OG 2.67Å; D841-R853 IonicContact OD1-CZ 2.96Å; D841-R853 IonicContact OD1-NH1 3.48Å; D841-R853 PolarHBondContact OD1-NH1 3.12Å; D841-R853 IonicContact OD1-NH2 3.8Å; D841-R853 PolarHBondContact OD1-NH2 3.22Å
842	T	95.2	Very high	95.6	Very high	56 Å²	56	34.5 Å²	34.5	34%	0.344	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	155.8	-178.3	58.9	0	0	0	0	111.6	Y847	T842-Y847 CarbonylContact C-O 3.59Å; T842-Y847 VanDerWaalsContact CA-O 3.23Å; T842-Y847 WeakPolarHBondContact CA-O 3.45Å
843	D	93.7	Very high	95.6	Very high	33 Å²	33	37.6 Å²	37.6	18%	0.176	19%	0.19	C	C	.	.			trans	-80.7	-177.3	171.1	71.2	14.6	0	0	0	111.7	K693 Y845 K846 Y847 I849	K693-D843 WeakPolarHBondContact CD-OD2 3.31Å; K693-D843 IonicContact NZ-OD2 3.98Å; K693-D843 PolarHBondContact NZ-OD2 3.01Å; D843-Y845 PolarHBondContact O-N 3.14Å; D843-Y845 WeakPolarHBondContact OD1-CA 3.49Å; D843-Y845 WeakPolarHBondContact OD1-CB 3.11Å; D843-Y845 PolarHBondContact OD1-N 3.39Å; D843-K846 PolarHBondContact O-N 3.02Å; D843-K846 PolarHBondContact OD1-N 3.42Å; D843-Y847 PolarHBondContact N-O 3.41Å; D843-Y847 WeakPolarHBondContact OD1-CB 3.33Å; D843-Y847 PolarHBondContact OD1-N 3.09Å; D843-Y847 VanDerWaalsContact OD1-N 3.1Å; D843-I849 HydrophobicContact CB-CG2 3.88Å
844	K	94.4	Very high	95.6	Very high	132 Å²	132	36.7 Å²	36.7	57%	0.574	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.2	177.7	63.2	177	172.7	172.4	0	114.9
845	Y	94.2	Very high	95.7	Very high	57 Å²	57	33.5 Å²	33.5	22%	0.224	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	11	175.5	-52.6	-72	0	0	0	112	S691 K693 V747 D843 Y847	S691-Y845 WeakPolarHBondContact CB-O 3.21Å; S691-Y845 PolarHBondContact OG-O 3.16Å; K693-Y845 HydrophobicContact CB-CD2 4.46Å; K693-Y845 HydrophobicContact CB-CG 4.35Å; K693-Y845 HydrophobicContact CD-CD2 4.09Å; V747-Y845 HydrophobicContact CG1-CD1 3.93Å; V747-Y845 HydrophobicContact CG1-CD2 4.39Å; V747-Y845 HydrophobicContact CG1-CE1 3.54Å; V747-Y845 HydrophobicContact CG1-CE2 4.04Å; V747-Y845 HydrophobicContact CG1-CG 4.33Å; D843-Y845 PolarHBondContact O-N 3.14Å; D843-Y845 WeakPolarHBondContact OD1-CA 3.49Å; D843-Y845 WeakPolarHBondContact OD1-CB 3.11Å; D843-Y845 PolarHBondContact OD1-N 3.39Å; Y845-Y847 PolarHBondContact O-N 2.81Å
846	K	95.1	Very high	95.7	Very high	110 Å²	110	33.3 Å²	33.3	48%	0.478	16%	0.162	S	C	.	.	S	Bend	trans	58.4	30.5	-171.8	-54	-171.4	179	-172.6	0	112.2	I791 D843	I791-K846 HydrophobicContact CD1-CB 4.5Å; I791-K846 HydrophobicContact CD1-CD 4.09Å; I791-K846 HydrophobicContact CG1-CB 4.15Å; I791-K846 HydrophobicContact CG1-CD 4.37Å; I791-K846 HydrophobicContact CG2-CB 4.39Å; I791-K846 HydrophobicContact CG2-CD 3.76Å; D843-K846 PolarHBondContact O-N 3.02Å; D843-K846 PolarHBondContact OD1-N 3.42Å
847	Y	95.1	Very high	95.7	Very high	11 Å²	11	35.2 Å²	35.2	4%	0.043	18%	0.177	C	C	.	.			trans	-99.5	134.1	177.4	-164.4	-86.4	0	0	0	110.9	K693 F695 Y745 W789 T842 D843 Y845	K693-Y847 HydrophobicContact CB-CD2 3.83Å; K693-Y847 HydrophobicContact CB-CG 4.09Å; K693-Y847 HydrophobicContact CD-CD1 4.23Å; K693-Y847 HydrophobicContact CD-CD2 4.34Å; K693-Y847 HydrophobicContact CD-CG 3.89Å; K693-Y847 HydrophobicContact CG-CD1 4.46Å; K693-Y847 HydrophobicContact CG-CD2 3.81Å; K693-Y847 HydrophobicContact CG-CE2 4.3Å; K693-Y847 HydrophobicContact CG-CG 3.9Å; K693-Y847 WeakPolarHBondContact O-CD2 3.48Å; K693-Y847 VanDerWaalsContact O-CE2 3.3Å; K693-Y847 WeakPolarHBondContact O-CE2 3.25Å; F695-Y847 WeakPolarHBondContact CB-OH 3.45Å; Y745-Y847 HydrophobicContact CD1-CE1 4.41Å; Y745-Y847 AromaticContact CE1-CE1 3.86Å; Y745-Y847 HydrophobicContact CE1-CE1 3.86Å; Y745-Y847 AromaticContact CE1-CZ 3.97Å; W789-Y847 HydrophobicContact CB-CD2 3.77Å; W789-Y847 HydrophobicContact CB-CE2 3.78Å; W789-Y847 HydrophobicContact CG-CD2 4.42Å; T842-Y847 CarbonylContact C-O 3.59Å; T842-Y847 VanDerWaalsContact CA-O 3.23Å; T842-Y847 WeakPolarHBondContact CA-O 3.45Å; D843-Y847 PolarHBondContact N-O 3.41Å; D843-Y847 WeakPolarHBondContact OD1-CB 3.33Å; D843-Y847 PolarHBondContact OD1-N 3.09Å; D843-Y847 VanDerWaalsContact OD1-N 3.1Å; Y845-Y847 PolarHBondContact O-N 2.81Å
848	P	94.8	Very high	95.6	Very high	11 Å²	11	34.7 Å²	34.7	7%	0.071	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	141.4	-176.3	-20.9	30.3	0	0	0	114	W789 L840 D841	W789-P848 VanDerWaalsContact CD2-CD 3.41Å; W789-P848 HydrophobicContact CD2-CG 3.42Å; W789-P848 VanDerWaalsContact CD2-CG 3.42Å; W789-P848 VanDerWaalsContact CE2-CD 3.47Å; W789-P848 HydrophobicContact CE3-CG 3.75Å; W789-P848 HydrophobicContact CG-CG 4.11Å; W789-P848 HydrophobicContact CH2-CG 3.53Å; W789-P848 HydrophobicContact CZ2-CB 4.44Å; W789-P848 HydrophobicContact CZ2-CG 3.2Å; W789-P848 HydrophobicContact CZ3-CG 3.78Å; L840-P848 HydrophobicContact CD1-CB 4.41Å; L840-P848 HydrophobicContact CD1-CG 4.31Å; D841-P848 WeakPolarHBondContact O-CA 3.33Å
849	I	91.6	Very high	95.5	Very high	63 Å²	63	39.3 Å²	39.3	32%	0.323	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	6.9	-178.1	66.4	173.9	0	0	0	114.1	D841 D843	D841-I849 HydrophobicContact CB-CD1 3.89Å; D841-I849 HydrophobicContact CB-CG1 3.81Å; D841-I849 WeakPolarHBondContact O-CG1 3.29Å; D841-I849 PolarHBondContact O-N 3.22Å; D843-I849 HydrophobicContact CB-CG2 3.88Å
850	G	92.9	Very high	95.4	Very high	15 Å²	15	41.9 Å²	41.9	16%	0.155	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.6	21.6	177.9	0	0	0	0	0	114.8	A814 L815	A814-G850 PolarHBondContact N-O 3.16Å; A814-G850 VanDerWaalsContact N-O 3.12Å; L815-G850 PolarHBondContact N-O 3.33Å
851	S	95.9	Very high	95.4	Very high	16 Å²	16	41.6 Å²	41.6	11%	0.112	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	168.8	167.5	59	0	0	0	0	111.3	V812 D841	V812-S851 CarbonylContact O-C 3.51Å; V812-S851 WeakPolarHBondContact O-CA 3.37Å; V812-S851 WeakPolarHBondContact O-CB 3.21Å; D841-S851 WeakPolarHBondContact CB-OG 3.22Å; D841-S851 PolarHBondContact N-O 3.32Å; D841-S851 WeakPolarHBondContact OD2-CB 3.22Å; D841-S851 PolarHBondContact OD2-OG 2.67Å
852	G	96.9	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	-176.3	178.1	0	0	0	0	0	112.9	V812 A839	V812-G852 PolarHBondContact N-O 3.49Å; V812-G852 PolarHBondContact O-N 3.09Å; A839-G852 CarbonylContact O-C 3.49Å; A839-G852 WeakPolarHBondContact O-CA 3.33Å
853	R	97.2	Very high	95.5	Very high	78 Å²	78	39.3 Å²	39.3	29%	0.294	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.4	178.2	-68.7	-179	-82.6	-77.6	-0.9	109.7	T809 V810 A838 A839 D841 Y887	T809-R853 HydrophobicContact CG2-CB 3.97Å; T809-R853 HydrophobicContact CG2-CG 4.25Å; V810-R853 VanDerWaalsContact O-CA 3.3Å; V810-R853 WeakPolarHBondContact O-CA 3.18Å; A838-R853 CarbonylContact C-O 3.5Å; A838-R853 WeakPolarHBondContact CA-O 3.34Å; A839-R853 PolarHBondContact N-O 3.31Å; A839-R853 PolarHBondContact O-N 3.36Å; D841-R853 IonicContact OD1-CZ 2.96Å; D841-R853 IonicContact OD1-NH1 3.48Å; D841-R853 PolarHBondContact OD1-NH1 3.12Å; D841-R853 IonicContact OD1-NH2 3.8Å; D841-R853 PolarHBondContact OD1-NH2 3.22Å; R853-Y887 HydrophobicContact CG-CD2 3.83Å; R853-Y887 HydrophobicContact CG-CE2 3.66Å
854	V	98	Very high	95.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.4	174.7	-178.5	0	0	0	0	108.6	T809 V810 V812 L824 M828 V835 F837 A838 F856	T809-V854 CarbonylContact C-O 3.58Å; T809-V854 WeakPolarHBondContact CA-O 3.48Å; V810-V854 HydrophobicContact CG2-CB 3.8Å; V810-V854 PolarHBondContact N-O 3.36Å; V810-V854 PolarHBondContact O-N 2.93Å; V812-V854 HydrophobicContact CG2-CG2 3.87Å; L824-V854 HydrophobicContact CD1-CG2 4.42Å; L824-V854 HydrophobicContact CD2-CG2 3.68Å; L824-V854 HydrophobicContact CG-CG2 3.82Å; M828-V854 HydrophobicContact CB-CG1 4.22Å; M828-V854 HydrophobicContact CE-CG1 4.48Å; M828-V854 HydrophobicContact CG-CG1 4.37Å; M828-V854 HydrophobicContact CG-CG2 4.18Å; V835-V854 HydrophobicContact CB-CG1 4.41Å; V835-V854 HydrophobicContact CG1-CG1 3.48Å; V835-V854 VanDerWaalsContact CG1-CG1 3.48Å; V835-V854 HydrophobicContact CG2-CG1 4.05Å; F837-V854 WeakPolarHBondContact O-CA 3.22Å; A838-V854 HydrophobicContact CB-CG2 4.02Å; V854-F856 HydrophobicContact CG1-CE2 4.23Å; V854-F856 HydrophobicContact CG1-CZ 4.25Å
855	I	97.6	Very high	95.7	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.072	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133	-178.9	-51.3	179.6	0	0	0	109.2	P801 D805 T809 I836 F837	P801-I855 HydrophobicContact CB-CD1 4.34Å; D805-I855 HydrophobicContact CB-CG2 3.86Å; D805-I855 VanDerWaalsContact O-CG2 3.25Å; D805-I855 WeakPolarHBondContact O-CG2 3.41Å; T809-I855 HydrophobicContact CG2-CG1 4.05Å; T809-I855 WeakPolarHBondContact OG1-CG1 3.48Å; I836-I855 HydrophobicContact CD1-CB 4.37Å; I836-I855 HydrophobicContact CD1-CG2 3.79Å; I836-I855 HydrophobicContact CG1-CB 3.98Å; I836-I855 HydrophobicContact CG1-CG2 3.9Å; I836-I855 WeakPolarHBondContact CG1-O 3.43Å; I836-I855 PolarHBondContact N-O 3.17Å; F837-I855 HydrophobicContact CB-CB 4.13Å; F837-I855 HydrophobicContact CB-CD1 4.16Å; F837-I855 HydrophobicContact CB-CG1 4.26Å; F837-I855 HydrophobicContact CD1-CD1 3.56Å; F837-I855 HydrophobicContact CD1-CG1 3.82Å; F837-I855 HydrophobicContact CE1-CD1 4.27Å; F837-I855 HydrophobicContact CG-CD1 4.12Å; F837-I855 HydrophobicContact CG-CG1 4.47Å; F837-I855 PolarHBondContact O-N 3.04Å
856	F	97.3	Very high	95.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141.2	175.7	-62.7	-89.2	0	0	0	111.5	R808 V810 M828 F832 G833 N834 V835 V854 S858 Y862 A865	R808-F856 HydrophobicContact CB-CB 4.37Å; R808-F856 WeakPolarHBondContact CB-O 3.37Å; R808-F856 PolarHBondContact NE-O 2.71Å; R808-F856 VanDerWaalsContact NE-O 3.11Å; R808-F856 PolarHBondContact O-N 3.5Å; R808-F856 VanDerWaalsContact O-N 3.16Å; V810-F856 HydrophobicContact CB-CE2 4.45Å; V810-F856 HydrophobicContact CG1-CD2 4.23Å; V810-F856 HydrophobicContact CG1-CE2 3.76Å; V810-F856 HydrophobicContact CG2-CE2 3.76Å; M828-F856 HydrophobicContact CE-CE2 4.47Å; M828-F856 HydrophobicContact CE-CZ 3.92Å; F832-F856 HydrophobicContact CB-CE1 3.95Å; F832-F856 HydrophobicContact CB-CZ 4.38Å; F832-F856 HydrophobicContact CD2-CZ 4.35Å; G833-F856 WeakPolarHBondContact O-CD1 3.33Å; N834-F856 CarbonylContact O-C 3.58Å; N834-F856 VanDerWaalsContact O-CA 3.28Å; N834-F856 WeakPolarHBondContact O-CA 3.44Å; V835-F856 HydrophobicContact CG2-CD1 3.85Å; V835-F856 HydrophobicContact CG2-CE1 3.47Å; V835-F856 VanDerWaalsContact CG2-CE1 3.47Å; V835-F856 HydrophobicContact CG2-CZ 4.2Å; V854-F856 HydrophobicContact CG1-CE2 4.23Å; V854-F856 HydrophobicContact CG1-CZ 4.25Å; F856-S858 VanDerWaalsContact C-N 3.31Å; F856-Y862 HydrophobicContact CD2-CD2 4.37Å; F856-A865 HydrophobicContact CE2-CB 3.85Å; F856-A865 HydrophobicContact CZ-CB 3.63Å
857	S	95.3	Very high	95.7	Very high	51 Å²	51	28.5 Å²	28.5	36%	0.357	15%	0.145	S	C	.	.	S	Bend	trans	-78.2	-17.9	168.6	56.2	0	0	0	0	112.9	R808 N834	R808-S857 PolarHBondContact NE-O 3.37Å; R808-S857 PolarHBondContact NH1-O 3.36Å; N834-S857 PolarHBondContact O-N 3.39Å; N834-S857 PolarHBondContact O-OG 3.16Å
858	S	94.4	Very high	95.6	Very high	32 Å²	32	28.3 Å²	28.3	22%	0.224	15%	0.146	C	C	.	.			trans	-113.6	131.4	-177.1	177.6	0	0	0	0	112.1	N834 F856 K860 S861 Y862	N834-S858 WeakPolarHBondContact ND2-CB 3.44Å; F856-S858 VanDerWaalsContact C-N 3.31Å; S858-K860 VanDerWaalsContact C-N 3.3Å; S858-K860 PolarHBondContact O-N 3.3Å; S858-K860 PolarHBondContact OG-N 3.23Å; S858-S861 PolarHBondContact O-N 3.25Å; S858-Y862 WeakPolarHBondContact O-CB 3.46Å; S858-Y862 PolarHBondContact O-N 3.46Å
859	H	94.8	Very high	95.6	Very high	97 Å²	97	29 Å²	29	45%	0.449	15%	0.149	S	C	.	.	H	α-helix	trans	-64	-36.6	174.6	-172.4	81.7	0	0	0	111.8	S861 Y862 M863	H859-S861 PolarHBondContact O-N 2.77Å; H859-Y862 WeakPolarHBondContact O-CB 3.48Å; H859-Y862 PolarHBondContact O-N 2.92Å; H859-M863 WeakPolarHBondContact CE1-CE 3.14Å; H859-M863 WeakPolarHBondContact NE2-CE 3.32Å; H859-M863 WeakPolarHBondContact O-CG 3.34Å; H859-M863 PolarHBondContact O-N 3.45Å
860	K	95.8	Very high	95.8	Very high	67 Å²	67	27.2 Å²	27.2	29%	0.291	14%	0.139	S	C	.	.	H	α-helix	trans	-61.1	-44.7	175.5	-176	175.2	-178.9	172.7	0	111.1	D225 S858 K864	D225-K860 IonicContact OD2-NZ 2.86Å; D225-K860 PolarHBondContact OD2-NZ 2.98Å; S858-K860 VanDerWaalsContact C-N 3.3Å; S858-K860 PolarHBondContact O-N 3.3Å; S858-K860 PolarHBondContact OG-N 3.23Å; K860-K864 VanDerWaalsContact O-CG 3.31Å; K860-K864 WeakPolarHBondContact O-CG 3.28Å; K860-K864 PolarHBondContact O-N 2.91Å; K860-K864 VanDerWaalsContact O-N 3.08Å
861	S	97.1	Very high	95.9	Very high	5 Å²	5	26.5 Å²	26.5	4%	0.035	13%	0.131	C	C	.	.	H	α-helix	trans	-67.4	-42.6	176.9	-66.6	0	0	0	0	112.2	F832 G833 N834 S858 H859 K864 A865	F832-S861 VanDerWaalsContact O-CB 3.29Å; F832-S861 WeakPolarHBondContact O-CB 3.42Å; F832-S861 PolarHBondContact O-OG 3.07Å; G833-S861 WeakPolarHBondContact O-CB 3.44Å; G833-S861 PolarHBondContact O-OG 2.99Å; N834-S861 PolarHBondContact ND2-OG 3.36Å; S858-S861 PolarHBondContact O-N 3.25Å; H859-S861 PolarHBondContact O-N 2.77Å; S861-K864 PolarHBondContact O-N 2.96Å; S861-A865 PolarHBondContact O-N 3.22Å; S861-A865 VanDerWaalsContact O-N 3.1Å
862	Y	97.1	Very high	95.9	Very high	15 Å²	15	26.2 Å²	26.2	6%	0.059	13%	0.128	C	C	.	.	H	α-helix	trans	-55	-53.5	173.3	166.2	-104.4	0	0	0	111.8	R808 V810 F856 S858 H859 K864 A865 I866 F911	R808-Y862 HydrophobicContact CB-CD2 4.13Å; R808-Y862 HydrophobicContact CB-CG 4.07Å; R808-Y862 HydrophobicContact CG-CG 4.29Å; R808-Y862 WeakPolarHBondContact O-CD2 3.48Å; V810-Y862 HydrophobicContact CG1-CD2 3.59Å; V810-Y862 HydrophobicContact CG1-CE2 3.66Å; F856-Y862 HydrophobicContact CD2-CD2 4.37Å; S858-Y862 WeakPolarHBondContact O-CB 3.46Å; S858-Y862 PolarHBondContact O-N 3.46Å; H859-Y862 WeakPolarHBondContact O-CB 3.48Å; H859-Y862 PolarHBondContact O-N 2.92Å; Y862-K864 PolarHBondContact O-N 3.29Å; Y862-A865 WeakPolarHBondContact O-CB 3.45Å; Y862-A865 PolarHBondContact O-N 3.48Å; Y862-A865 VanDerWaalsContact O-N 3.13Å; Y862-I866 HydrophobicContact CD2-CG1 4.35Å; Y862-I866 HydrophobicContact CE1-CG1 4.24Å; Y862-I866 HydrophobicContact CE2-CD1 4.04Å; Y862-I866 HydrophobicContact CE2-CG1 3.9Å; Y862-I866 WeakPolarHBondContact O-CG1 3.48Å; Y862-I866 PolarHBondContact O-N 3.22Å; Y862-F911 HydrophobicContact CE1-CZ 4.38Å
863	M	95.4	Very high	95.9	Very high	18 Å²	18	26.2 Å²	26.2	9%	0.089	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-40	-178.4	-72.2	-59.4	-169.7	0	0	112	M232 H859 A865 I866 T867 F908 F911	M232-M863 HydrophobicContact CE-CB 3.58Å; M232-M863 VanDerWaalsContact CE-O 3.22Å; M232-M863 WeakPolarHBondContact CE-O 3.32Å; M232-M863 HydrophobicContact SD-CB 4.38Å; H859-M863 WeakPolarHBondContact CE1-CE 3.14Å; H859-M863 WeakPolarHBondContact NE2-CE 3.32Å; H859-M863 WeakPolarHBondContact O-CG 3.34Å; H859-M863 PolarHBondContact O-N 3.45Å; M863-A865 VanDerWaalsContact C-N 3.28Å; M863-A865 PolarHBondContact O-N 3.13Å; M863-I866 PolarHBondContact O-N 3.33Å; M863-T867 PolarHBondContact O-N 3.34Å; M863-T867 PolarHBondContact O-OG1 3.38Å; M863-F908 HydrophobicContact SD-CE1 3.99Å; M863-F911 HydrophobicContact CE-CD1 4.4Å; M863-F911 HydrophobicContact CE-CE1 3.83Å; M863-F911 HydrophobicContact CE-CZ 4.03Å; M863-F911 HydrophobicContact SD-CZ 4.28Å
864	K	96	Very high	95.8	Very high	98 Å²	98	26 Å²	26	43%	0.426	13%	0.128	S	C	.	.	H	α-helix	trans	-56.2	-42.7	173.6	-77.4	179	176.8	-170.3	0	112.3	F832 K860 S861 Y862 T867 A868	F832-K864 HydrophobicContact CD1-CB 4.03Å; K860-K864 VanDerWaalsContact O-CG 3.31Å; K860-K864 WeakPolarHBondContact O-CG 3.28Å; K860-K864 PolarHBondContact O-N 2.91Å; K860-K864 VanDerWaalsContact O-N 3.08Å; S861-K864 PolarHBondContact O-N 2.96Å; Y862-K864 PolarHBondContact O-N 3.29Å; K864-T867 PolarHBondContact O-N 3.1Å; K864-A868 PolarHBondContact O-N 3.08Å
865	A	97	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.6	-41.8	177.5	0	0	0	0	0	112	V810 M828 F832 F856 S861 Y862 M863 A868 I884	V810-A865 HydrophobicContact CG1-CB 4.4Å; M828-A865 HydrophobicContact CE-CB 4.4Å; F832-A865 HydrophobicContact CD1-CB 4.35Å; F832-A865 HydrophobicContact CD2-CB 3.74Å; F832-A865 HydrophobicContact CE2-CB 3.96Å; F832-A865 HydrophobicContact CG-CB 3.94Å; F832-A865 HydrophobicContact CZ-CB 4.36Å; F856-A865 HydrophobicContact CE2-CB 3.85Å; F856-A865 HydrophobicContact CZ-CB 3.63Å; S861-A865 PolarHBondContact O-N 3.22Å; S861-A865 VanDerWaalsContact O-N 3.1Å; Y862-A865 WeakPolarHBondContact O-CB 3.45Å; Y862-A865 PolarHBondContact O-N 3.48Å; Y862-A865 VanDerWaalsContact O-N 3.13Å; M863-A865 VanDerWaalsContact C-N 3.28Å; M863-A865 PolarHBondContact O-N 3.13Å; A865-A868 WeakPolarHBondContact O-CB 3.44Å; A865-A868 PolarHBondContact O-N 2.94Å; A865-I884 HydrophobicContact CB-CG2 4.24Å; A865-I884 WeakPolarHBondContact O-CG2 3.15Å
866	I	95.3	Very high	95	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.2	-44.4	175.6	-63.1	-48.4	0	0	0	111.7	V810 Y862 M863 A868 N869 P886 R906 F911	V810-I866 HydrophobicContact CB-CD1 4.21Å; V810-I866 HydrophobicContact CG1-CD1 3.5Å; V810-I866 HydrophobicContact CG1-CG1 4.28Å; Y862-I866 HydrophobicContact CD2-CG1 4.35Å; Y862-I866 HydrophobicContact CE1-CG1 4.24Å; Y862-I866 HydrophobicContact CE2-CD1 4.04Å; Y862-I866 HydrophobicContact CE2-CG1 3.9Å; Y862-I866 WeakPolarHBondContact O-CG1 3.48Å; Y862-I866 PolarHBondContact O-N 3.22Å; M863-I866 PolarHBondContact O-N 3.33Å; I866-A868 VanDerWaalsContact C-N 3.31Å; I866-A868 PolarHBondContact O-N 2.71Å; I866-N869 PolarHBondContact O-N 3.31Å; I866-P886 HydrophobicContact CD1-CB 4.17Å; I866-P886 HydrophobicContact CD1-CG 3.7Å; I866-P886 VanDerWaalsContact CD1-N 3.34Å; I866-P886 HydrophobicContact CG1-CG 4.21Å; I866-P886 HydrophobicContact CG2-CG 3.96Å; I866-R906 VanDerWaalsContact O-CZ 3.29Å; I866-R906 PolarHBondContact O-NH1 3.11Å; I866-R906 PolarHBondContact O-NH2 3.15Å; I866-F911 HydrophobicContact CG2-CE2 4.17Å
867	T	93.3	Very high	94.4	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.043	19%	0.191	C	C	.	.	H	α-helix	trans	-63.2	-39.1	178.6	-58.8	0	0	0	0	112	M232 M863 K864 N869 F908	M232-T867 WeakPolarHBondContact CE-OG1 3.42Å; M232-T867 HydrophobicContact CG-CG2 4.44Å; M863-T867 PolarHBondContact O-N 3.34Å; M863-T867 PolarHBondContact O-OG1 3.38Å; K864-T867 PolarHBondContact O-N 3.1Å; T867-N869 PolarHBondContact O-N 3.41Å; T867-F908 HydrophobicContact CG2-CE2 4.38Å; T867-F908 VanDerWaalsContact OG1-CE2 3.22Å; T867-F908 WeakPolarHBondContact OG1-CE2 3.1Å; T867-F908 WeakPolarHBondContact OG1-CZ 2.95Å
868	A	94.5	Very high	94.1	Very high	7 Å²	7	35.5 Å²	35.5	6%	0.058	18%	0.177	C	C	.	.	H	α-helix	trans	-55.6	-39	-179.4	0	0	0	0	0	112.3	Y674 F832 K864 A865 I866 F870	Y674-A868 HydrophobicContact CD2-CB 3.5Å; Y674-A868 VanDerWaalsContact CD2-CB 3.5Å; Y674-A868 HydrophobicContact CE2-CB 3.71Å; Y674-A868 HydrophobicContact CG-CB 4.07Å; F832-A868 HydrophobicContact CE1-CB 3.68Å; F832-A868 HydrophobicContact CZ-CB 3.58Å; K864-A868 PolarHBondContact O-N 3.08Å; A865-A868 WeakPolarHBondContact O-CB 3.44Å; A865-A868 PolarHBondContact O-N 2.94Å; I866-A868 VanDerWaalsContact C-N 3.31Å; I866-A868 PolarHBondContact O-N 2.71Å; A868-F870 PolarHBondContact O-N 3.3Å
869	N	93.9	Very high	94	Very high	26 Å²	26	39.8 Å²	39.8	14%	0.139	20%	0.196	C	C	.	.			trans	62	-57.8	177.9	-168.4	3.4	0	0	0	114.1	Y659 I866 T867 Q883 I884	Y659-N869 PolarHBondContact OH-OD1 2.9Å; I866-N869 PolarHBondContact O-N 3.31Å; T867-N869 PolarHBondContact O-N 3.41Å; N869-Q883 CarbonylContact O-C 3.48Å; N869-Q883 WeakPolarHBondContact O-CA 3.47Å; N869-I884 PolarHBondContact O-N 2.87Å
870	F	95.5	Very high	93.9	Very high	25 Å²	25	38.8 Å²	38.8	11%	0.11	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.4	176.1	-56	-74.3	0	0	0	111	S662 A663 V666 A672 A868 T881 I882 Q883	S662-F870 VanDerWaalsContact OG-CZ 3.23Å; S662-F870 WeakPolarHBondContact OG-CZ 3.08Å; A663-F870 HydrophobicContact CB-CD1 4.27Å; A663-F870 HydrophobicContact CB-CE1 4.15Å; V666-F870 HydrophobicContact CB-CD1 4.38Å; V666-F870 HydrophobicContact CB-CD2 4.45Å; V666-F870 HydrophobicContact CB-CG 4.34Å; V666-F870 HydrophobicContact CG1-CB 4.23Å; V666-F870 HydrophobicContact CG1-CD1 4.46Å; V666-F870 HydrophobicContact CG1-CD2 4.12Å; V666-F870 HydrophobicContact CG1-CG 4Å; V666-F870 HydrophobicContact CG2-CD1 4.21Å; V666-F870 HydrophobicContact CG2-CD2 3.83Å; V666-F870 HydrophobicContact CG2-CE1 3.99Å; V666-F870 HydrophobicContact CG2-CE2 3.58Å; V666-F870 HydrophobicContact CG2-CG 4.14Å; V666-F870 HydrophobicContact CG2-CZ 3.68Å; A672-F870 HydrophobicContact CB-CB 3.85Å; A868-F870 PolarHBondContact O-N 3.3Å; F870-T881 HydrophobicContact CB-CG2 3.93Å; F870-T881 HydrophobicContact CD1-CG2 4.33Å; F870-T881 HydrophobicContact CG-CG2 4.48Å; F870-I882 VanDerWaalsContact CA-O 3.31Å; F870-I882 WeakPolarHBondContact CA-O 3.13Å; F870-Q883 HydrophobicContact CD1-CB 4.08Å; F870-Q883 HydrophobicContact CD1-CG 4.27Å; F870-Q883 HydrophobicContact CE1-CB 3.97Å; F870-Q883 HydrophobicContact CE1-CG 3.79Å
871	V	96.3	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.1	174.2	173.2	0	0	0	0	109.5	Y674 L831 F832 I873 T881 I882 I884	Y674-V871 CarbonylContact O-C 3.15Å; Y674-V871 WeakPolarHBondContact O-CA 3.5Å; L831-V871 HydrophobicContact CD1-CB 4.44Å; L831-V871 HydrophobicContact CD1-CG1 3.48Å; L831-V871 VanDerWaalsContact CD1-CG1 3.48Å; L831-V871 HydrophobicContact CD1-CG2 4.08Å; F832-V871 HydrophobicContact CE2-CG2 4.43Å; F832-V871 HydrophobicContact CZ-CG2 4Å; V871-I873 HydrophobicContact CG1-CG1 4.46Å; V871-T881 CarbonylContact O-C 3.52Å; V871-T881 WeakPolarHBondContact O-CA 3.34Å; V871-I882 HydrophobicContact CB-CD1 4.13Å; V871-I882 HydrophobicContact CB-CG1 3.76Å; V871-I882 HydrophobicContact CG1-CG1 4.41Å; V871-I882 PolarHBondContact N-O 3.31Å; V871-I882 WeakPolarHBondContact O-CG1 3.45Å; V871-I882 PolarHBondContact O-N 3.36Å; V871-I884 HydrophobicContact CG2-CD1 3.6Å
872	D	95.8	Very high	93.9	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.053	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	114.9	171.4	-84.4	1	0	0	0	110.9	A672 Y674 H675 W676 R874 T881	A672-D872 HydrophobicContact CB-CB 4.33Å; Y674-D872 PolarHBondContact O-N 2.9Å; H675-D872 CarbonylContact C-O 3.57Å; H675-D872 WeakPolarHBondContact CA-O 3.47Å; H675-D872 HydrophobicContact CB-CB 3.93Å; W676-D872 PolarHBondContact N-O 3.36Å; D872-R874 IonicContact OD2-CZ 3.79Å; D872-R874 IonicContact OD2-NH2 2.79Å; D872-R874 PolarHBondContact OD2-NH2 2.98Å; D872-T881 WeakPolarHBondContact OD1-CB 3.49Å; D872-T881 WeakPolarHBondContact OD1-CG2 3.18Å; D872-T881 PolarHBondContact OD1-OG1 2.91Å
873	I	95.8	Very high	93.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.3	173	-61	173.7	0	0	0	108.5	W676 I819 I827 V871 T875 F878 I879 K880 I882	W676-I873 HydrophobicContact CE3-CG2 4Å; W676-I873 HydrophobicContact CZ3-CG2 4.24Å; I819-I873 HydrophobicContact CD1-CD1 3.63Å; I827-I873 HydrophobicContact CD1-CD1 3.87Å; I827-I873 HydrophobicContact CD1-CG1 4.32Å; I827-I873 HydrophobicContact CD1-CG2 4.06Å; I827-I873 HydrophobicContact CG2-CD1 4.42Å; I827-I873 HydrophobicContact CG2-CG1 4.37Å; V871-I873 HydrophobicContact CG1-CG1 4.46Å; I873-T875 HydrophobicContact CG2-CG2 4.05Å; I873-F878 HydrophobicContact CB-CE2 4.4Å; I873-F878 HydrophobicContact CG2-CE2 3.85Å; I873-F878 HydrophobicContact CG2-CZ 4.22Å; I873-I879 CarbonylContact O-C 3.58Å; I873-I879 VanDerWaalsContact O-CA 3.28Å; I873-I879 WeakPolarHBondContact O-CA 3.44Å; I873-K880 PolarHBondContact N-O 2.93Å; I873-K880 PolarHBondContact O-N 3.19Å; I873-I882 HydrophobicContact CD1-CB 4.47Å; I873-I882 HydrophobicContact CD1-CD1 3.92Å; I873-I882 HydrophobicContact CD1-CG1 4.06Å; I873-I882 HydrophobicContact CD1-CG2 3.59Å; I873-I882 HydrophobicContact CG1-CD1 4.5Å; I873-I882 HydrophobicContact CG1-CG1 4.38Å; I873-I882 HydrophobicContact CG1-CG2 4.4Å
874	R	94.7	Very high	93.9	Very high	75 Å²	75	34.5 Å²	34.5	28%	0.283	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.7	-178.5	-62.9	178.6	179	175.2	1.6	110.1	E671 W676 S677 G678 D872 I879	E671-R874 VanDerWaalsContact CD-NH2 3.28Å; E671-R874 IonicContact OE1-CZ 3.88Å; E671-R874 IonicContact OE1-NH1 3.36Å; E671-R874 PolarHBondContact OE1-NH1 2.78Å; E671-R874 IonicContact OE1-NH2 2.76Å; E671-R874 PolarHBondContact OE1-NH2 2.99Å; W676-R874 PolarHBondContact O-N 3.49Å; S677-R874 VanDerWaalsContact CA-O 3.31Å; S677-R874 WeakPolarHBondContact CA-O 3.32Å; G678-R874 PolarHBondContact N-O 3.33Å; D872-R874 IonicContact OD2-CZ 3.79Å; D872-R874 IonicContact OD2-NH2 2.79Å; D872-R874 PolarHBondContact OD2-NH2 2.98Å; R874-I879 HydrophobicContact CB-CG1 4.48Å; R874-I879 HydrophobicContact CG-CG1 4.27Å; R874-I879 HydrophobicContact CG-CG2 4.07Å
875	T	92.3	Very high	93.9	Very high	20 Å²	20	30.5 Å²	30.5	12%	0.123	16%	0.155	C	C	.	.			trans	-131.8	169	177.8	72.8	0	0	0	0	109.7	W676 L680 I873 K877 F878	W676-T875 HydrophobicContact CZ3-CG2 4.12Å; L680-T875 HydrophobicContact CD1-CG2 4.13Å; L680-T875 HydrophobicContact CD2-CG2 3.9Å; L680-T875 HydrophobicContact CG-CG2 3.9Å; I873-T875 HydrophobicContact CG2-CG2 4.05Å; T875-K877 PolarHBondContact O-N 3.07Å; T875-K877 PolarHBondContact OG1-N 3.35Å; T875-F878 HydrophobicContact CG2-CE1 4.28Å; T875-F878 HydrophobicContact CG2-CE2 4.44Å; T875-F878 HydrophobicContact CG2-CZ 4.11Å; T875-F878 PolarHBondContact N-O 3.17Å; T875-F878 WeakPolarHBondContact OG1-CD1 3.48Å; T875-F878 PolarHBondContact OG1-N 3.47Å; T875-F878 PolarHBondContact OG1-O 3.48Å
876	S	88.1	Confident	93.8	Very high	104 Å²	104	30.7 Å²	30.7	73%	0.727	16%	0.156	S	C	*	.	S	Bend	trans	-65	-16.7	172.3	57.5	0	0	0	0	113.9
877	K	84.5	Confident	93.7	Very high	124 Å²	124	34.4 Å²	34.4	54%	0.539	17%	0.171	S	C	.	.	S	Bend	trans	-101.5	-30.6	-176.7	-66.6	-172.3	178	-179.7	0	113.5	L680 L818 T875	L680-K877 HydrophobicContact CD1-CD 4.46Å; L818-K877 HydrophobicContact CD1-CB 4.21Å; L818-K877 HydrophobicContact CD1-CD 3.93Å; T875-K877 PolarHBondContact O-N 3.07Å; T875-K877 PolarHBondContact OG1-N 3.35Å
878	F	88.8	Confident	93.7	Very high	16 Å²	16	34.9 Å²	34.9	7%	0.07	17%	0.173	C	C	.	.			trans	-159.8	158.4	-178.5	67.2	-93.1	0	0	0	111.9	T90 L680 H816 L818 I819 I873 T875 K880	T90-F878 HydrophobicContact CG2-CB 4.36Å; L680-F878 HydrophobicContact CD1-CD1 4.29Å; L680-F878 HydrophobicContact CD1-CE1 3.56Å; L680-F878 HydrophobicContact CD1-CZ 4.36Å; H816-F878 HydrophobicContact CB-CD2 4.02Å; H816-F878 HydrophobicContact CB-CE1 4.2Å; H816-F878 HydrophobicContact CB-CE2 3.61Å; H816-F878 HydrophobicContact CB-CG 4.5Å; H816-F878 HydrophobicContact CB-CZ 3.72Å; H816-F878 AromaticContact CD2-CD2 3.95Å; H816-F878 AromaticContact CD2-CG 3.86Å; H816-F878 AromaticContact CE1-CD1 3.52Å; H816-F878 AromaticContact CE1-CG 3.81Å; H816-F878 AromaticContact CG-CD1 3.84Å; H816-F878 AromaticContact CG-CD2 3.77Å; H816-F878 AromaticContact CG-CE1 3.85Å; H816-F878 AromaticContact CG-CE2 3.81Å; H816-F878 AromaticContact CG-CG 3.8Å; H816-F878 AromaticContact CG-CZ 3.85Å; H816-F878 AromaticContact ND1-CD1 3.35Å; H816-F878 VanDerWaalsContact ND1-CD1 3.35Å; H816-F878 WeakPolarHBondContact ND1-CD1 3.44Å; H816-F878 AromaticContact ND1-CE1 3.36Å; H816-F878 WeakPolarHBondContact ND1-CE1 3.29Å; H816-F878 AromaticContact ND1-CG 3.76Å; H816-F878 AromaticContact ND1-CZ 3.83Å; H816-F878 AromaticContact NE2-CG 3.89Å; L818-F878 HydrophobicContact CB-CE1 3.96Å; L818-F878 HydrophobicContact CD1-CD1 4.05Å; L818-F878 HydrophobicContact CD1-CE1 4.23Å; I819-F878 HydrophobicContact CD1-CE2 4.41Å; I819-F878 HydrophobicContact CD1-CZ 4.12Å; I819-F878 HydrophobicContact CG1-CZ 3.9Å; I873-F878 HydrophobicContact CB-CE2 4.4Å; I873-F878 HydrophobicContact CG2-CE2 3.85Å; I873-F878 HydrophobicContact CG2-CZ 4.22Å; T875-F878 HydrophobicContact CG2-CE1 4.28Å; T875-F878 HydrophobicContact CG2-CE2 4.44Å; T875-F878 HydrophobicContact CG2-CZ 4.11Å; T875-F878 PolarHBondContact N-O 3.17Å; T875-F878 WeakPolarHBondContact OG1-CD1 3.48Å; T875-F878 PolarHBondContact OG1-N 3.47Å; T875-F878 PolarHBondContact OG1-O 3.48Å; F878-K880 HydrophobicContact CD2-CB 3.79Å; F878-K880 HydrophobicContact CE2-CB 4Å
879	I	92	Very high	93.3	Very high	122 Å²	122	38.9 Å²	38.9	63%	0.626	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	130	163.9	-60.7	174.1	0	0	0	107.3	I873 R874	I873-I879 CarbonylContact O-C 3.58Å; I873-I879 VanDerWaalsContact O-CA 3.28Å; I873-I879 WeakPolarHBondContact O-CA 3.44Å; R874-I879 HydrophobicContact CB-CG1 4.48Å; R874-I879 HydrophobicContact CG-CG1 4.27Å; R874-I879 HydrophobicContact CG-CG2 4.07Å
880	K	93.3	Very high	93	Very high	76 Å²	76	42.6 Å²	42.6	33%	0.33	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	128.8	-178.6	-171.9	66.2	177	176.9	0	111.8	A814 H816 I873 F878	A814-K880 WeakPolarHBondContact O-CE 3.28Å; H816-K880 HydrophobicContact CB-CB 4.5Å; H816-K880 HydrophobicContact CB-CG 4.43Å; I873-K880 PolarHBondContact N-O 2.93Å; I873-K880 PolarHBondContact O-N 3.19Å; F878-K880 HydrophobicContact CD2-CB 3.79Å; F878-K880 HydrophobicContact CE2-CB 4Å
881	T	95.7	Very high	92.7	Very high	8 Å²	8	43 Å²	43	5%	0.049	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.6	168	-46.5	0	0	0	0	109.8	V666 A667 A672 F870 V871 D872	V666-T881 HydrophobicContact CG1-CG2 4.24Å; A667-T881 WeakPolarHBondContact CB-OG1 3.32Å; A672-T881 HydrophobicContact CB-CG2 4.32Å; F870-T881 HydrophobicContact CB-CG2 3.93Å; F870-T881 HydrophobicContact CD1-CG2 4.33Å; F870-T881 HydrophobicContact CG-CG2 4.48Å; V871-T881 CarbonylContact O-C 3.52Å; V871-T881 WeakPolarHBondContact O-CA 3.34Å; D872-T881 WeakPolarHBondContact OD1-CB 3.49Å; D872-T881 WeakPolarHBondContact OD1-CG2 3.18Å; D872-T881 PolarHBondContact OD1-OG1 2.91Å
882	I	96.4	Very high	92.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	157.2	173	62.1	159.4	0	0	0	109.9	V812 L815 F870 V871 I873 I884	V812-I882 HydrophobicContact CG1-CB 4.34Å; V812-I882 HydrophobicContact CG1-CD1 3.77Å; L815-I882 HydrophobicContact CD2-CG2 4.01Å; F870-I882 VanDerWaalsContact CA-O 3.31Å; F870-I882 WeakPolarHBondContact CA-O 3.13Å; V871-I882 HydrophobicContact CB-CD1 4.13Å; V871-I882 HydrophobicContact CB-CG1 3.76Å; V871-I882 HydrophobicContact CG1-CG1 4.41Å; V871-I882 PolarHBondContact N-O 3.31Å; V871-I882 WeakPolarHBondContact O-CG1 3.45Å; V871-I882 PolarHBondContact O-N 3.36Å; I873-I882 HydrophobicContact CD1-CB 4.47Å; I873-I882 HydrophobicContact CD1-CD1 3.92Å; I873-I882 HydrophobicContact CD1-CG1 4.06Å; I873-I882 HydrophobicContact CD1-CG2 3.59Å; I873-I882 HydrophobicContact CG1-CD1 4.5Å; I873-I882 HydrophobicContact CG1-CG1 4.38Å; I873-I882 HydrophobicContact CG1-CG2 4.4Å; I882-I884 HydrophobicContact CD1-CG1 4.46Å
883	Q	95.6	Very high	92.6	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.033	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.6	177	179	172.7	-26.9	0	0	110	Y659 S662 A663 V812 G813 N869 F870 D885	Y659-Q883 VanDerWaalsContact CE1-NE2 3.34Å; Y659-Q883 PolarHBondContact O-NE2 2.96Å; S662-Q883 PolarHBondContact OG-OE1 3.46Å; S662-Q883 VanDerWaalsContact OG-OE1 3.09Å; A663-Q883 HydrophobicContact CB-CB 3.88Å; V812-Q883 CarbonylContact C-O 3.47Å; V812-Q883 VanDerWaalsContact CA-O 3.29Å; V812-Q883 WeakPolarHBondContact CA-O 3.44Å; G813-Q883 PolarHBondContact N-O 2.98Å; G813-Q883 PolarHBondContact O-N 3.49Å; G813-Q883 VanDerWaalsContact O-N 3.1Å; N869-Q883 CarbonylContact O-C 3.48Å; N869-Q883 WeakPolarHBondContact O-CA 3.47Å; F870-Q883 HydrophobicContact CD1-CB 4.08Å; F870-Q883 HydrophobicContact CD1-CG 4.27Å; F870-Q883 HydrophobicContact CE1-CB 3.97Å; F870-Q883 HydrophobicContact CE1-CG 3.79Å; Q883-D885 PolarHBondContact NE2-OD2 2.81Å
884	I	96.9	Very high	92.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117.9	-178.2	-56	169.3	0	0	0	108	V810 F811 M828 F832 A865 N869 V871 I882	V810-I884 HydrophobicContact CB-CG2 3.94Å; V810-I884 HydrophobicContact CG1-CG2 4.32Å; V810-I884 HydrophobicContact CG2-CG2 4.01Å; F811-I884 WeakPolarHBondContact O-CA 3.47Å; M828-I884 HydrophobicContact CE-CD1 3.88Å; M828-I884 HydrophobicContact CE-CG1 4.39Å; M828-I884 HydrophobicContact SD-CD1 4.05Å; F832-I884 HydrophobicContact CE2-CD1 3.77Å; F832-I884 HydrophobicContact CZ-CD1 4.01Å; A865-I884 HydrophobicContact CB-CG2 4.24Å; A865-I884 WeakPolarHBondContact O-CG2 3.15Å; N869-I884 PolarHBondContact O-N 2.87Å; V871-I884 HydrophobicContact CG2-CD1 3.6Å; I882-I884 HydrophobicContact CD1-CG1 4.46Å
885	D	95.3	Very high	92.4	Very high	14 Å²	14	48.2 Å²	48.2	8%	0.075	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	158	179.4	-72.2	-46.2	0	0	0	110.9	Y659 V810 F811 Q883 Y887 L935	Y659-D885 VanDerWaalsContact CE1-OD1 3.25Å; Y659-D885 WeakPolarHBondContact CE1-OD1 3.46Å; Y659-D885 PolarHBondContact OH-OD1 2.74Å; V810-D885 CarbonylContact C-O 3.59Å; V810-D885 WeakPolarHBondContact CA-O 3.3Å; F811-D885 PolarHBondContact N-O 3.26Å; F811-D885 PolarHBondContact O-N 2.92Å; Q883-D885 PolarHBondContact NE2-OD2 2.81Å; D885-Y887 PolarHBondContact O-N 3.33Å; D885-L935 HydrophobicContact CB-CD2 3.89Å; D885-L935 WeakPolarHBondContact OD1-CD2 3.46Å
886	P	95.1	Very high	92.4	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	138.7	168.9	-24.3	35.9	0	0	0	110.6	I866 L888 F904 F911	I866-P886 HydrophobicContact CD1-CB 4.17Å; I866-P886 HydrophobicContact CD1-CG 3.7Å; I866-P886 VanDerWaalsContact CD1-N 3.34Å; I866-P886 HydrophobicContact CG1-CG 4.21Å; I866-P886 HydrophobicContact CG2-CG 3.96Å; P886-L888 HydrophobicContact CB-CD2 4.47Å; P886-L888 PolarHBondContact O-N 2.95Å; P886-F904 HydrophobicContact CB-CE1 4.11Å; P886-F904 HydrophobicContact CG-CD1 4.43Å; P886-F904 HydrophobicContact CG-CE1 3.78Å; P886-F904 HydrophobicContact CG-CZ 4.47Å; P886-F911 HydrophobicContact CG-CE2 4.14Å; P886-F911 HydrophobicContact CG-CZ 4.35Å
887	Y	93.8	Very high	92.6	Very high	78 Å²	78	49 Å²	49	31%	0.306	25%	0.254	S	S	.	.			trans	-71.2	105	171	-166.6	-102.8	0	0	0	108.8	T809 F811 R853 D885	T809-Y887 HydrophobicContact CG2-CD1 4.42Å; T809-Y887 HydrophobicContact CG2-CD2 4.27Å; T809-Y887 HydrophobicContact CG2-CG 3.89Å; T809-Y887 WeakPolarHBondContact O-CB 3.33Å; T809-Y887 PolarHBondContact O-N 3.39Å; T809-Y887 VanDerWaalsContact O-N 3.11Å; F811-Y887 HydrophobicContact CB-CD2 4.19Å; R853-Y887 HydrophobicContact CG-CD2 3.83Å; R853-Y887 HydrophobicContact CG-CE2 3.66Å; D885-Y887 PolarHBondContact O-N 3.33Å
888	L	92.4	Very high	92.9	Very high	17 Å²	17	46.4 Å²	46.4	9%	0.089	25%	0.251	C	S	.	.			trans	-67.4	151.8	-177.4	-57.8	-173.8	0	0	0	110	P886 F904 Y913 L935 R937	P886-L888 HydrophobicContact CB-CD2 4.47Å; P886-L888 PolarHBondContact O-N 2.95Å; L888-F904 HydrophobicContact CD1-CB 4.38Å; L888-F904 HydrophobicContact CD2-CB 3.46Å; L888-F904 VanDerWaalsContact CD2-CB 3.46Å; L888-F904 HydrophobicContact CD2-CD1 3.78Å; L888-F904 HydrophobicContact CD2-CD2 4.19Å; L888-F904 HydrophobicContact CD2-CG 3.53Å; L888-Y913 WeakPolarHBondContact CA-OH 3.46Å; L888-Y913 HydrophobicContact CB-CE1 4.49Å; L888-Y913 HydrophobicContact CD2-CE1 4.36Å; L888-L935 HydrophobicContact CD1-CB 4.14Å; L888-R937 HydrophobicContact CB-CG 3.65Å; L888-R937 HydrophobicContact CD1-CG 4.07Å; L888-R937 HydrophobicContact CG-CG 4.44Å; L888-R937 PolarHBondContact O-NE 3.31Å; L888-R937 PolarHBondContact O-NH2 2.79Å
889	E	86.7	Confident	92.9	Very high	90 Å²	90	48.4 Å²	48.4	42%	0.421	26%	0.259	S	S	.	.			trans	-122.6	163.2	177.5	-71	-178.6	-177.7	0	0	110.2	A891 Y913 R937	E889-A891 PolarHBondContact O-N 3.47Å; E889-Y913 PolarHBondContact N-OH 2.94Å; E889-Y913 WeakPolarHBondContact O-CE1 3.18Å; E889-R937 VanDerWaalsContact C-CZ 3.49Å; E889-R937 VanDerWaalsContact CA-CZ 3.4Å; E889-R937 VanDerWaalsContact CA-NH2 3.27Å
890	D	87.7	Confident	92.8	Very high	104 Å²	104	45.8 Å²	45.8	56%	0.556	25%	0.25	S	C	*	.			trans	-78.7	108.1	168.1	-67.2	-31.9	0	0	0	107.4	R937	D890-R937 IonicContact OD1-CZ 3.2Å; D890-R937 IonicContact OD1-NH1 2.64Å; D890-R937 PolarHBondContact OD1-NH1 2.99Å; D890-R937 IonicContact OD2-NH1 2.65Å; D890-R937 PolarHBondContact OD2-NH1 3.42Å
891	A	90.3	Very high	92.7	Very high	33 Å²	33	42.5 Å²	42.5	27%	0.273	24%	0.237	S	C	.	.			trans	-125.6	156.9	-176.2	0	0	0	0	0	111.1	E889 G901 Y913	E889-A891 PolarHBondContact O-N 3.47Å; A891-G901 WeakPolarHBondContact O-CA 3.49Å; A891-G901 PolarHBondContact O-N 3.26Å; A891-Y913 HydrophobicContact CB-CD1 3.99Å; A891-Y913 HydrophobicContact CB-CD2 3.54Å; A891-Y913 HydrophobicContact CB-CE1 4.24Å; A891-Y913 HydrophobicContact CB-CE2 3.83Å; A891-Y913 HydrophobicContact CB-CG 3.64Å
892	V	93.5	Very high	92.5	Very high	82 Å²	82	44.9 Å²	44.9	50%	0.497	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-77.6	156.3	164.2	-65	0	0	0	0	109.5	N894 L897	V892-N894 PolarHBondContact O-N 2.93Å; V892-L897 HydrophobicContact CG2-CD2 4.34Å
893	C	95.3	Very high	92.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.			trans	-62.4	125.5	175.6	171.2	0	0	0	0	110.4	S895 C896 L897 Y899 C915 C918	C893-S895 PolarHBondContact O-N 3.11Å; C893-S895 PolarHBondContact SG-N 3.46Å; C893-S895 VanDerWaalsContact SG-N 3.4Å; C893-C896 VanDerWaalsContact CB-SG 3.58Å; C893-C896 VanDerWaalsContact SG-SG 3.64Å; C893-L897 WeakPolarHBondContact O-CA 3.45Å; C893-L897 WeakPolarHBondContact O-CD2 3.24Å; C893-L897 PolarHBondContact O-N 2.98Å; C893-Y899 WeakPolarHBondContact CB-O 3.25Å; C893-Y899 PolarHBondContact N-O 3.24Å; C893-C915 HydrophobicContact CB-CB 3.86Å; C893-C915 PolarHBondContact SG-N 3.1Å; C893-C918 VanDerWaalsContact SG-CB 3.6Å; C893-C918 VanDerWaalsContact SG-SG 3.68Å
894	N	94.1	Very high	92.3	Very high	69 Å²	69	45.1 Å²	45.1	37%	0.369	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.4	-179.9	-69.6	90.2	0	0	0	113.8	V892 N912 Y913	V892-N894 PolarHBondContact O-N 2.93Å; N894-N912 HydrophobicContact CB-CB 3.95Å; N894-N912 VanDerWaalsContact CG-OD1 3.29Å; N894-N912 PolarHBondContact ND2-OD1 3.05Å; N894-Y913 PolarHBondContact N-O 3.44Å; N894-Y913 WeakPolarHBondContact OD1-CA 3.22Å; N894-Y913 WeakPolarHBondContact OD1-CB 3.36Å; N894-Y913 PolarHBondContact OD1-N 3.21Å; N894-Y913 PolarHBondContact OD1-O 2.82Å
895	S	91.6	Very high	92.2	Very high	44 Å²	44	45.1 Å²	45.1	31%	0.308	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-49.1	179	-52	0	0	0	0	113	C893 F914	C893-S895 PolarHBondContact O-N 3.11Å; C893-S895 PolarHBondContact SG-N 3.46Å; C893-S895 VanDerWaalsContact SG-N 3.4Å; S895-F914 WeakPolarHBondContact OG-CD1 3.35Å; S895-F914 WeakPolarHBondContact OG-CE1 3.29Å
896	C	93.3	Very high	92.1	Very high	19 Å²	19	46 Å²	46	13%	0.128	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-16.5	-176.8	68.1	0	0	0	0	114.3	A524 C893 S898	A524-C896 HydrophobicContact CB-CB 4.08Å; C893-C896 VanDerWaalsContact CB-SG 3.58Å; C893-C896 VanDerWaalsContact SG-SG 3.64Å; C896-S898 PolarHBondContact O-N 3.18Å; C896-S898 PolarHBondContact O-OG 3.2Å
897	L	93.1	Very high	91.9	Very high	121 Å²	121	46.7 Å²	46.7	63%	0.634	26%	0.258	S	S	*	.	S	Bend	trans	53.1	8.5	-176.1	-56.2	174.9	0	0	0	115.4	V892 C893	V892-L897 HydrophobicContact CG2-CD2 4.34Å; C893-L897 WeakPolarHBondContact O-CA 3.45Å; C893-L897 WeakPolarHBondContact O-CD2 3.24Å; C893-L897 PolarHBondContact O-N 2.98Å
898	S	89.8	Confident	91.6	Very high	70 Å²	70	43.8 Å²	43.8	49%	0.49	25%	0.247	S	C	.	.	S	Bend	trans	-110.2	-35.4	-170.5	-56.8	0	0	0	0	112	C896	C896-S898 PolarHBondContact O-N 3.18Å; C896-S898 PolarHBondContact O-OG 3.2Å
899	Y	88.1	Confident	91.4	Very high	59 Å²	59	47.4 Å²	47.4	23%	0.231	26%	0.263	C	S	.	.	S	Bend	trans	-106.9	155.5	-177.9	-74.5	-85	0	0	0	111.8	A527 N531 C893 G901	A527-Y899 HydrophobicContact CB-CE2 3.58Å; A527-Y899 WeakPolarHBondContact CB-OH 3.22Å; A527-Y899 PolarHBondContact O-OH 2.86Å; N531-Y899 PolarHBondContact ND2-OH 3.46Å; C893-Y899 WeakPolarHBondContact CB-O 3.25Å; C893-Y899 PolarHBondContact N-O 3.24Å; Y899-G901 PolarHBondContact O-N 2.95Å
900	P	90	Very high	91.7	Very high	67 Å²	67	43.4 Å²	43.4	44%	0.435	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-56.1	130.5	171	-23.4	33.9	0	0	0	111.5	M902 C915	P900-M902 VanDerWaalsContact C-N 3.33Å; P900-M902 HydrophobicContact CB-CG 4.22Å; P900-M902 PolarHBondContact O-N 3.3Å; P900-M902 VanDerWaalsContact O-N 3.08Å; P900-C915 WeakPolarHBondContact O-CA 3.46Å; P900-C915 WeakPolarHBondContact O-CB 3.4Å
901	G	92	Very high	91.9	Very high	6 Å²	6	40.9 Å²	40.9	6%	0.062	23%	0.229	C	C	.	.			trans	-80.5	79.1	174.1	0	0	0	0	0	110.1	A891 Y899 Y903 Y913 F914	A891-G901 WeakPolarHBondContact O-CA 3.49Å; A891-G901 PolarHBondContact O-N 3.26Å; Y899-G901 PolarHBondContact O-N 2.95Å; G901-Y903 VanDerWaalsContact C-N 3.33Å; G901-Y903 PolarHBondContact O-N 3.48Å; G901-Y913 WeakPolarHBondContact O-CD1 3.25Å; G901-F914 CarbonylContact C-O 3.47Å
902	M	91.4	Very high	92.1	Very high	59 Å²	59	42.5 Å²	42.5	29%	0.291	23%	0.233	S	C	.	.			trans	-73.4	-24.8	-173.8	-64.5	-174.8	64.8	0	0	113.9	P900 F914 F939	P900-M902 VanDerWaalsContact C-N 3.33Å; P900-M902 HydrophobicContact CB-CG 4.22Å; P900-M902 PolarHBondContact O-N 3.3Å; P900-M902 VanDerWaalsContact O-N 3.08Å; M902-F914 PolarHBondContact N-O 2.98Å; M902-F914 VanDerWaalsContact N-O 3.14Å; M902-F939 HydrophobicContact CE-CE2 4.16Å; M902-F939 HydrophobicContact CE-CZ 4.37Å
903	Y	93.8	Very high	92.1	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.5	-176.8	-55.3	-69.6	0	0	0	110.6	E649 I652 D653 G901 Y913 F914 P916 P934 L935 R936	E649-Y903 PolarHBondContact O-OH 3.09Å; I652-Y903 HydrophobicContact CB-CE1 4.02Å; I652-Y903 HydrophobicContact CB-CE2 4.03Å; I652-Y903 HydrophobicContact CD1-CD2 4.29Å; I652-Y903 HydrophobicContact CD1-CE2 3.89Å; I652-Y903 HydrophobicContact CG2-CD1 3.43Å; I652-Y903 VanDerWaalsContact CG2-CD1 3.43Å; I652-Y903 HydrophobicContact CG2-CD2 3.77Å; I652-Y903 HydrophobicContact CG2-CE1 3.34Å; I652-Y903 HydrophobicContact CG2-CE2 3.66Å; I652-Y903 HydrophobicContact CG2-CG 3.64Å; I652-Y903 VanDerWaalsContact CG2-CZ 3.46Å; D653-Y903 WeakPolarHBondContact OD1-CE1 3.29Å; D653-Y903 VanDerWaalsContact OD1-CZ 3.3Å; D653-Y903 PolarHBondContact OD1-OH 3.49Å; G901-Y903 VanDerWaalsContact C-N 3.33Å; G901-Y903 PolarHBondContact O-N 3.48Å; Y903-Y913 CarbonylContact O-C 3.49Å; Y903-Y913 VanDerWaalsContact O-CA 3.28Å; Y903-Y913 WeakPolarHBondContact O-CA 3.5Å; Y903-F914 PolarHBondContact N-O 3.39Å; Y903-F914 PolarHBondContact O-N 3.22Å; Y903-P916 HydrophobicContact CE2-CB 4.08Å; Y903-P916 HydrophobicContact CE2-CG 3.84Å; Y903-P934 HydrophobicContact CD1-CB 4.12Å; Y903-P934 HydrophobicContact CG-CB 4.45Å; Y903-L935 CarbonylContact C-O 3.54Å; Y903-L935 WeakPolarHBondContact CA-O 3.22Å; Y903-R936 HydrophobicContact CD1-CB 4.13Å; Y903-R936 HydrophobicContact CE1-CB 4.41Å
904	F	95.1	Very high	92.1	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.039	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.2	174.5	-175.9	-92.8	0	0	0	109.8	P886 L888 F911 N912 Y913 L935	P886-F904 HydrophobicContact CB-CE1 4.11Å; P886-F904 HydrophobicContact CG-CD1 4.43Å; P886-F904 HydrophobicContact CG-CE1 3.78Å; P886-F904 HydrophobicContact CG-CZ 4.47Å; L888-F904 HydrophobicContact CD1-CB 4.38Å; L888-F904 HydrophobicContact CD2-CB 3.46Å; L888-F904 VanDerWaalsContact CD2-CB 3.46Å; L888-F904 HydrophobicContact CD2-CD1 3.78Å; L888-F904 HydrophobicContact CD2-CD2 4.19Å; L888-F904 HydrophobicContact CD2-CG 3.53Å; F904-F911 HydrophobicContact CE1-CD2 4.13Å; F904-F911 HydrophobicContact CE1-CE2 4.01Å; F904-F911 HydrophobicContact CE1-CZ 4.48Å; F904-F911 HydrophobicContact CZ-CD1 4.13Å; F904-F911 AromaticContact CZ-CD2 3.85Å; F904-F911 HydrophobicContact CZ-CD2 3.85Å; F904-F911 HydrophobicContact CZ-CE1 4.11Å; F904-F911 AromaticContact CZ-CE2 3.82Å; F904-F911 HydrophobicContact CZ-CE2 3.82Å; F904-F911 HydrophobicContact CZ-CG 4.01Å; F904-F911 AromaticContact CZ-CZ 3.96Å; F904-F911 HydrophobicContact CZ-CZ 3.96Å; F904-N912 WeakPolarHBondContact CA-O 3.34Å; F904-Y913 HydrophobicContact CB-CD1 4.06Å; F904-Y913 HydrophobicContact CB-CE1 4.01Å; F904-Y913 AromaticContact CD2-CD1 3.94Å; F904-Y913 HydrophobicContact CD2-CD1 3.94Å; F904-Y913 AromaticContact CD2-CD2 3.77Å; F904-Y913 HydrophobicContact CD2-CD2 3.77Å; F904-Y913 AromaticContact CD2-CE1 3.8Å; F904-Y913 HydrophobicContact CD2-CE1 3.8Å; F904-Y913 AromaticContact CD2-CE2 3.6Å; F904-Y913 HydrophobicContact CD2-CE2 3.6Å; F904-Y913 AromaticContact CD2-CG 3.92Å; F904-Y913 HydrophobicContact CD2-CG 3.92Å; F904-Y913 AromaticContact CD2-CZ 3.61Å; F904-Y913 HydrophobicContact CE2-CD2 4.19Å; F904-Y913 AromaticContact CE2-CE2 3.89Å; F904-Y913 HydrophobicContact CE2-CE2 3.89Å; F904-Y913 HydrophobicContact CG-CE1 4.31Å; F904-L935 HydrophobicContact CB-CB 4.33Å; F904-L935 PolarHBondContact N-O 3.31Å; F904-L935 WeakPolarHBondContact O-CB 3.48Å; F904-L935 WeakPolarHBondContact O-CD1 3.35Å; F904-L935 PolarHBondContact O-N 3.14Å
905	C	94.8	Very high	92	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.7	171.2	-178.9	0	0	0	0	109.9	C910 F911 N912 F914 W919 H932	C905-C910 HydrophobicContact CB-CB 3.68Å; C905-C910 VanDerWaalsContact SG-CB 3.55Å; C905-F911 VanDerWaalsContact O-CA 3.22Å; C905-F911 WeakPolarHBondContact O-CA 3.49Å; C905-F911 PolarHBondContact O-N 3.45Å; C905-N912 PolarHBondContact N-O 3Å; C905-F914 HydrophobicContact CB-CD2 4.4Å; C905-F914 HydrophobicContact CB-CE2 3.94Å; C905-W919 HydrophobicContact CB-CH2 3.89Å; C905-W919 HydrophobicContact CB-CZ3 3.67Å; C905-H932 PolarHBondContact SG-ND1 3.2Å
906	R	92.3	Very high	91.9	Very high	33 Å²	33	36 Å²	36	13%	0.125	19%	0.191	C	C	.	.			trans	-76.6	-17.7	178.7	65.3	167.1	-89	116.1	4.2	115.4	Y659 I866 L935	Y659-R906 WeakPolarHBondContact OH-CD 3.33Å; I866-R906 VanDerWaalsContact O-CZ 3.29Å; I866-R906 PolarHBondContact O-NH1 3.11Å; I866-R906 PolarHBondContact O-NH2 3.15Å; R906-L935 HydrophobicContact CB-CD1 3.7Å; R906-L935 HydrophobicContact CG-CD1 3.73Å
907	A	90.5	Very high	91.7	Very high	18 Å²	18	36.8 Å²	36.8	15%	0.149	20%	0.199	C	C	.	.	S	Bend	trans	-64.3	139.6	-178.4	0	0	0	0	0	110.1	E909 C910 F911 H932	A907-E909 PolarHBondContact O-N 2.94Å; A907-C910 CarbonylContact O-C 3.58Å; A907-C910 PolarHBondContact O-N 3.23Å; A907-F911 PolarHBondContact O-N 3.22Å; A907-H932 WeakPolarHBondContact CB-CE1 3.4Å; A907-H932 WeakPolarHBondContact CB-NE2 3.44Å
908	F	87.2	Confident	91.6	Very high	17 Å²	17	32 Å²	32	8%	0.075	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31	-172.9	-78.6	-66.8	0	0	0	113.2	Y229 M232 T236 M863 T867 C910	Y229-F908 HydrophobicContact CE2-CD1 4.18Å; M232-F908 HydrophobicContact CE-CZ 3.89Å; M232-F908 HydrophobicContact CG-CE2 4.28Å; M232-F908 HydrophobicContact CG-CZ 4.37Å; M232-F908 HydrophobicContact SD-CE1 4.11Å; M232-F908 HydrophobicContact SD-CE2 4.14Å; M232-F908 HydrophobicContact SD-CZ 3.64Å; T236-F908 HydrophobicContact CG2-CD2 4.43Å; M863-F908 HydrophobicContact SD-CE1 3.99Å; T867-F908 HydrophobicContact CG2-CE2 4.38Å; T867-F908 VanDerWaalsContact OG1-CE2 3.22Å; T867-F908 WeakPolarHBondContact OG1-CE2 3.1Å; T867-F908 WeakPolarHBondContact OG1-CZ 2.95Å; F908-C910 PolarHBondContact O-N 2.9Å
909	E	88.3	Confident	91.8	Very high	94 Å²	94	29.2 Å²	29.2	44%	0.439	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21	176.2	-60.6	82.6	176.1	0	0	112.5	A907	A907-E909 PolarHBondContact O-N 2.94Å
910	C	92.7	Very high	91.8	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.041	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-59.2	-179.6	-63.8	0	0	0	0	112	C905 A907 F908 N912 F914 W922 H932	C905-C910 HydrophobicContact CB-CB 3.68Å; C905-C910 VanDerWaalsContact SG-CB 3.55Å; A907-C910 CarbonylContact O-C 3.58Å; A907-C910 PolarHBondContact O-N 3.23Å; F908-C910 PolarHBondContact O-N 2.9Å; C910-N912 WeakPolarHBondContact O-CB 3.31Å; C910-N912 PolarHBondContact O-N 3.48Å; C910-N912 PolarHBondContact O-ND2 3.36Å; C910-F914 HydrophobicContact CB-CE2 4.23Å; C910-F914 HydrophobicContact CB-CZ 4.22Å; C910-W922 PolarHBondContact SG-NE1 2.97Å; C910-H932 VanDerWaalsContact SG-CE1 3.53Å; C910-H932 PolarHBondContact SG-ND1 2.92Å; C910-H932 VanDerWaalsContact SG-ND1 3.36Å
911	F	92.3	Very high	91.6	Very high	51 Å²	51	29.1 Å²	29.1	22%	0.224	15%	0.151	C	C	.	.			trans	35.4	46.7	-179.4	-151.4	-103.1	0	0	0	115.5	Y862 M863 I866 P886 F904 C905 A907	Y862-F911 HydrophobicContact CE1-CZ 4.38Å; M863-F911 HydrophobicContact CE-CD1 4.4Å; M863-F911 HydrophobicContact CE-CE1 3.83Å; M863-F911 HydrophobicContact CE-CZ 4.03Å; M863-F911 HydrophobicContact SD-CZ 4.28Å; I866-F911 HydrophobicContact CG2-CE2 4.17Å; P886-F911 HydrophobicContact CG-CE2 4.14Å; P886-F911 HydrophobicContact CG-CZ 4.35Å; F904-F911 HydrophobicContact CE1-CD2 4.13Å; F904-F911 HydrophobicContact CE1-CE2 4.01Å; F904-F911 HydrophobicContact CE1-CZ 4.48Å; F904-F911 HydrophobicContact CZ-CD1 4.13Å; F904-F911 AromaticContact CZ-CD2 3.85Å; F904-F911 HydrophobicContact CZ-CD2 3.85Å; F904-F911 HydrophobicContact CZ-CE1 4.11Å; F904-F911 AromaticContact CZ-CE2 3.82Å; F904-F911 HydrophobicContact CZ-CE2 3.82Å; F904-F911 HydrophobicContact CZ-CG 4.01Å; F904-F911 AromaticContact CZ-CZ 3.96Å; F904-F911 HydrophobicContact CZ-CZ 3.96Å; C905-F911 VanDerWaalsContact O-CA 3.22Å; C905-F911 WeakPolarHBondContact O-CA 3.49Å; C905-F911 PolarHBondContact O-N 3.45Å; A907-F911 PolarHBondContact O-N 3.22Å
912	N	94.4	Very high	91.5	Very high	67 Å²	67	33.4 Å²	33.4	36%	0.358	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	166.7	-168.7	-85.3	-53.5	0	0	0	112.2	N894 F904 C905 C910 F914	N894-N912 HydrophobicContact CB-CB 3.95Å; N894-N912 VanDerWaalsContact CG-OD1 3.29Å; N894-N912 PolarHBondContact ND2-OD1 3.05Å; F904-N912 WeakPolarHBondContact CA-O 3.34Å; C905-N912 PolarHBondContact N-O 3Å; C910-N912 WeakPolarHBondContact O-CB 3.31Å; C910-N912 PolarHBondContact O-N 3.48Å; C910-N912 PolarHBondContact O-ND2 3.36Å; N912-F914 HydrophobicContact CB-CE2 3.88Å; N912-F914 HydrophobicContact CB-CZ 4.01Å; N912-F914 VanDerWaalsContact O-CD2 3.29Å; N912-F914 WeakPolarHBondContact O-CD2 3.45Å; N912-F914 WeakPolarHBondContact O-CE2 3.43Å
913	Y	94.9	Very high	91.4	Very high	33 Å²	33	30.7 Å²	30.7	13%	0.129	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	140.4	174.2	-64.5	-93.7	0	0	0	112.4	L888 E889 A891 N894 G901 Y903 F904	L888-Y913 WeakPolarHBondContact CA-OH 3.46Å; L888-Y913 HydrophobicContact CB-CE1 4.49Å; L888-Y913 HydrophobicContact CD2-CE1 4.36Å; E889-Y913 PolarHBondContact N-OH 2.94Å; E889-Y913 WeakPolarHBondContact O-CE1 3.18Å; A891-Y913 HydrophobicContact CB-CD1 3.99Å; A891-Y913 HydrophobicContact CB-CD2 3.54Å; A891-Y913 HydrophobicContact CB-CE1 4.24Å; A891-Y913 HydrophobicContact CB-CE2 3.83Å; A891-Y913 HydrophobicContact CB-CG 3.64Å; N894-Y913 PolarHBondContact N-O 3.44Å; N894-Y913 WeakPolarHBondContact OD1-CA 3.22Å; N894-Y913 WeakPolarHBondContact OD1-CB 3.36Å; N894-Y913 PolarHBondContact OD1-N 3.21Å; N894-Y913 PolarHBondContact OD1-O 2.82Å; G901-Y913 WeakPolarHBondContact O-CD1 3.25Å; Y903-Y913 CarbonylContact O-C 3.49Å; Y903-Y913 VanDerWaalsContact O-CA 3.28Å; Y903-Y913 WeakPolarHBondContact O-CA 3.5Å; F904-Y913 HydrophobicContact CB-CD1 4.06Å; F904-Y913 HydrophobicContact CB-CE1 4.01Å; F904-Y913 AromaticContact CD2-CD1 3.94Å; F904-Y913 HydrophobicContact CD2-CD1 3.94Å; F904-Y913 AromaticContact CD2-CD2 3.77Å; F904-Y913 HydrophobicContact CD2-CD2 3.77Å; F904-Y913 AromaticContact CD2-CE1 3.8Å; F904-Y913 HydrophobicContact CD2-CE1 3.8Å; F904-Y913 AromaticContact CD2-CE2 3.6Å; F904-Y913 HydrophobicContact CD2-CE2 3.6Å; F904-Y913 AromaticContact CD2-CG 3.92Å; F904-Y913 HydrophobicContact CD2-CG 3.92Å; F904-Y913 AromaticContact CD2-CZ 3.61Å; F904-Y913 HydrophobicContact CE2-CD2 4.19Å; F904-Y913 AromaticContact CE2-CE2 3.89Å; F904-Y913 HydrophobicContact CE2-CE2 3.89Å; F904-Y913 HydrophobicContact CG-CE1 4.31Å
914	F	94.2	Very high	90.9	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.026	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.4	-178.2	-58.7	-92.4	0	0	0	110.2	S895 G901 M902 Y903 C905 C910 N912 C918 W919 W922 H923	S895-F914 WeakPolarHBondContact OG-CD1 3.35Å; S895-F914 WeakPolarHBondContact OG-CE1 3.29Å; G901-F914 CarbonylContact C-O 3.47Å; M902-F914 PolarHBondContact N-O 2.98Å; M902-F914 VanDerWaalsContact N-O 3.14Å; Y903-F914 PolarHBondContact N-O 3.39Å; Y903-F914 PolarHBondContact O-N 3.22Å; C905-F914 HydrophobicContact CB-CD2 4.4Å; C905-F914 HydrophobicContact CB-CE2 3.94Å; C910-F914 HydrophobicContact CB-CE2 4.23Å; C910-F914 HydrophobicContact CB-CZ 4.22Å; N912-F914 HydrophobicContact CB-CE2 3.88Å; N912-F914 HydrophobicContact CB-CZ 4.01Å; N912-F914 VanDerWaalsContact O-CD2 3.29Å; N912-F914 WeakPolarHBondContact O-CD2 3.45Å; N912-F914 WeakPolarHBondContact O-CE2 3.43Å; F914-C918 HydrophobicContact CB-CB 4.5Å; F914-C918 HydrophobicContact CD1-CB 4.22Å; F914-W919 HydrophobicContact CB-CB 4.03Å; F914-W919 HydrophobicContact CB-CE3 4.13Å; F914-W919 HydrophobicContact CD2-CE3 4.07Å; F914-W919 HydrophobicContact CD2-CZ3 4.31Å; F914-W919 HydrophobicContact CG-CE3 4.33Å; F914-W922 HydrophobicContact CE1-CB 4.2Å; F914-W922 AromaticContact CE1-CD1 3.95Å; F914-W922 HydrophobicContact CE1-CG 4.07Å; F914-W922 AromaticContact CZ-CD1 3.99Å; F914-H923 AromaticContact CD2-CE1 3.78Å; F914-H923 AromaticContact CE2-CE1 3.65Å; F914-H923 AromaticContact CZ-CE1 3.89Å
915	C	93	Very high	90.2	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.027	20%	0.198	C	C	.	.			trans	-73.8	164.6	161.7	71.8	0	0	0	0	109	C893 P900 A917 C918 W919	C893-C915 HydrophobicContact CB-CB 3.86Å; C893-C915 PolarHBondContact SG-N 3.1Å; P900-C915 WeakPolarHBondContact O-CA 3.46Å; P900-C915 WeakPolarHBondContact O-CB 3.4Å; C915-A917 VanDerWaalsContact C-N 3.29Å; C915-A917 PolarHBondContact O-N 3.17Å; C915-C918 PolarHBondContact O-N 3.2Å; C915-C918 PolarHBondContact SG-N 3.23Å; C915-C918 VanDerWaalsContact SG-N 3.41Å; C915-C918 PolarHBondContact SG-SG 3.37Å; C915-W919 WeakPolarHBondContact O-CB 3.41Å; C915-W919 PolarHBondContact O-N 3.42Å
916	P	89.7	Confident	89.5	Confident	15 Å²	15	41.2 Å²	41.2	10%	0.097	22%	0.217	C	C	.	.	H	α-helix	trans	-52.4	-44.6	-179	-21.5	26.4	0	0	0	113.5	E649 I652 Y903 W919 H920	E649-P916 HydrophobicContact CG-CB 3.51Å; E649-P916 HydrophobicContact CG-CG 3.5Å; E649-P916 VanDerWaalsContact CG-CG 3.5Å; E649-P916 WeakPolarHBondContact OE1-CG 3.47Å; I652-P916 HydrophobicContact CD1-CB 4.23Å; Y903-P916 HydrophobicContact CE2-CB 4.08Å; Y903-P916 HydrophobicContact CE2-CG 3.84Å; P916-W919 WeakPolarHBondContact O-CB 3.45Å; P916-W919 PolarHBondContact O-N 3.37Å; P916-H920 PolarHBondContact O-CD2 3.29Å; P916-H920 PolarHBondContact O-N 3.28Å; P916-H920 VanDerWaalsContact O-N 3.15Å
917	A	87.3	Confident	88.8	Confident	36 Å²	36	46.8 Å²	46.8	30%	0.298	25%	0.245	S	C	.	.	H	α-helix	trans	-64.5	-48.3	179.4	0	0	0	0	0	112.3	M645 C915 W919 H920 M921	M645-A917 HydrophobicContact SD-CB 4.21Å; C915-A917 VanDerWaalsContact C-N 3.29Å; C915-A917 PolarHBondContact O-N 3.17Å; A917-W919 VanDerWaalsContact C-N 3.29Å; A917-W919 PolarHBondContact O-N 3.39Å; A917-H920 PolarHBondContact O-N 3.32Å; A917-M921 WeakPolarHBondContact O-CG 3.37Å; A917-M921 PolarHBondContact O-N 3.25Å
918	C	93	Very high	88.3	Confident	19 Å²	19	50.6 Å²	50.6	13%	0.128	27%	0.266	C	S	.	.	H	α-helix	trans	-68.1	-29.8	178.6	-66.7	0	0	0	0	112.5	C893 F914 C915 W922	C893-C918 VanDerWaalsContact SG-CB 3.6Å; C893-C918 VanDerWaalsContact SG-SG 3.68Å; F914-C918 HydrophobicContact CB-CB 4.5Å; F914-C918 HydrophobicContact CD1-CB 4.22Å; C915-C918 PolarHBondContact O-N 3.2Å; C915-C918 PolarHBondContact SG-N 3.23Å; C915-C918 VanDerWaalsContact SG-N 3.41Å; C915-C918 PolarHBondContact SG-SG 3.37Å; C918-W922 VanDerWaalsContact O-CB 3.25Å; C918-W922 WeakPolarHBondContact O-CB 3.49Å; C918-W922 PolarHBondContact O-N 2.78Å
919	W	92.5	Very high	88.2	Confident	13 Å²	13	50.6 Å²	50.6	5%	0.049	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-53.8	172.9	179.9	-80.5	0	0	0	110.3	I652 C905 F914 C915 P916 A917 M921 W922 H923 P934	I652-W919 HydrophobicContact CD1-CB 3.93Å; I652-W919 HydrophobicContact CD1-CG 3.87Å; I652-W919 HydrophobicContact CG1-CG 4.33Å; I652-W919 HydrophobicContact CG2-CD2 4.4Å; I652-W919 HydrophobicContact CG2-CG 4.33Å; C905-W919 HydrophobicContact CB-CH2 3.89Å; C905-W919 HydrophobicContact CB-CZ3 3.67Å; F914-W919 HydrophobicContact CB-CB 4.03Å; F914-W919 HydrophobicContact CB-CE3 4.13Å; F914-W919 HydrophobicContact CD2-CE3 4.07Å; F914-W919 HydrophobicContact CD2-CZ3 4.31Å; F914-W919 HydrophobicContact CG-CE3 4.33Å; C915-W919 WeakPolarHBondContact O-CB 3.41Å; C915-W919 PolarHBondContact O-N 3.42Å; P916-W919 WeakPolarHBondContact O-CB 3.45Å; P916-W919 PolarHBondContact O-N 3.37Å; A917-W919 VanDerWaalsContact C-N 3.29Å; A917-W919 PolarHBondContact O-N 3.39Å; W919-M921 PolarHBondContact O-N 3.3Å; W919-W922 PolarHBondContact O-N 2.95Å; W919-H923 AromaticContact CD2-CE1 3.8Å; W919-H923 AromaticContact CD2-ND1 3.38Å; W919-H923 AromaticContact CE2-CG 3.82Å; W919-H923 AromaticContact CE2-ND1 3.58Å; W919-H923 AromaticContact CE3-CE1 3.5Å; W919-H923 AromaticContact CE3-ND1 3.61Å; W919-H923 AromaticContact CG-ND1 3.77Å; W919-H923 AromaticContact CH2-CE1 3.82Å; W919-H923 AromaticContact CH2-NE2 3.91Å; W919-H923 HydrophobicContact CZ2-CB 4.44Å; W919-H923 AromaticContact CZ2-CG 3.91Å; W919-H923 AromaticContact CZ2-ND1 3.92Å; W919-H923 AromaticContact CZ3-CE1 3.54Å; W919-H923 AromaticContact CZ3-ND1 3.97Å; W919-H923 AromaticContact CZ3-NE2 4Å; W919-H923 VanDerWaalsContact O-CB 3.31Å; W919-H923 WeakPolarHBondContact O-CB 3.35Å; W919-H923 PolarHBondContact O-N 3.38Å; W919-H923 PolarHBondContact O-ND1 2.98Å; W919-H923 VanDerWaalsContact O-ND1 3.13Å; W919-P934 HydrophobicContact CD2-CB 4.3Å; W919-P934 HydrophobicContact CE3-CB 4.22Å; W919-P934 HydrophobicContact CH2-CB 3.56Å; W919-P934 HydrophobicContact CH2-CG 4.38Å; W919-P934 VanDerWaalsContact CH2-N 3.32Å; W919-P934 HydrophobicContact CZ2-CB 3.59Å; W919-P934 HydrophobicContact CZ2-CG 3.98Å; W919-P934 HydrophobicContact CZ3-CB 3.85Å
920	H	87.8	Confident	88	Confident	28 Å²	28	53 Å²	53	13%	0.13	27%	0.273	C	S	.	.	H	α-helix	trans	-60.1	-46.6	179.3	-85.4	-69.5	0	0	0	112.3	F648 I652 P916 A917 W922 N924	F648-H920 WeakPolarHBondContact CB-CD2 3.41Å; F648-H920 WeakPolarHBondContact CB-NE2 3.49Å; F648-H920 AromaticContact CD1-CE1 3.48Å; F648-H920 VanDerWaalsContact CD1-CE1 3.48Å; F648-H920 WeakPolarHBondContact CD1-CE1 3.13Å; F648-H920 AromaticContact CD1-ND1 3.94Å; F648-H920 AromaticContact CD1-NE2 3.57Å; F648-H920 AromaticContact CG-CD2 3.61Å; F648-H920 AromaticContact CG-CE1 3.84Å; F648-H920 AromaticContact CG-NE2 3.47Å; F648-H920 WeakPolarHBondContact CG-NE2 3.31Å; F648-H920 PolarHBondContact O-NE2 2.76Å; I652-H920 WeakPolarHBondContact CD1-CD2 3.45Å; I652-H920 VanDerWaalsContact CD1-NE2 3.28Å; I652-H920 WeakPolarHBondContact CD1-NE2 3.5Å; I652-H920 WeakPolarHBondContact CG1-NE2 3.5Å; P916-H920 PolarHBondContact O-CD2 3.29Å; P916-H920 PolarHBondContact O-N 3.28Å; P916-H920 VanDerWaalsContact O-N 3.15Å; A917-H920 PolarHBondContact O-N 3.32Å; H920-W922 PolarHBondContact O-N 2.94Å; H920-N924 PolarHBondContact ND1-ND2 3.3Å; H920-N924 WeakPolarHBondContact O-CB 3.38Å; H920-N924 VanDerWaalsContact O-CG 3.3Å; H920-N924 PolarHBondContact O-N 3.45Å; H920-N924 VanDerWaalsContact O-N 3.14Å; H920-N924 PolarHBondContact O-ND2 3.38Å
921	M	87.3	Confident	87.7	Confident	95 Å²	95	57.5 Å²	57.5	47%	0.468	30%	0.3	S	S	.	.	H	α-helix	trans	-61.2	-46.3	-179.8	-69.1	-57.6	-57.9	0	0	112	A917 W919 S925	A917-M921 WeakPolarHBondContact O-CG 3.37Å; A917-M921 PolarHBondContact O-N 3.25Å; W919-M921 PolarHBondContact O-N 3.3Å; M921-S925 PolarHBondContact O-OG 3.06Å
922	W	88.4	Confident	87.7	Confident	96 Å²	96	56.4 Å²	56.4	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-77.1	-48.4	-175.7	-171.1	-105.1	0	0	0	112.4	C910 F914 C918 W919 H920 N924 S925 L929	C910-W922 PolarHBondContact SG-NE1 2.97Å; F914-W922 HydrophobicContact CE1-CB 4.2Å; F914-W922 AromaticContact CE1-CD1 3.95Å; F914-W922 HydrophobicContact CE1-CG 4.07Å; F914-W922 AromaticContact CZ-CD1 3.99Å; C918-W922 VanDerWaalsContact O-CB 3.25Å; C918-W922 WeakPolarHBondContact O-CB 3.49Å; C918-W922 PolarHBondContact O-N 2.78Å; W919-W922 PolarHBondContact O-N 2.95Å; H920-W922 PolarHBondContact O-N 2.94Å; W922-N924 VanDerWaalsContact C-N 3.33Å; W922-N924 PolarHBondContact O-N 3.48Å; W922-S925 VanDerWaalsContact O-CB 3.3Å; W922-S925 WeakPolarHBondContact O-CB 3.46Å; W922-S925 PolarHBondContact O-N 3.32Å; W922-S925 PolarHBondContact O-OG 2.95Å; W922-L929 WeakPolarHBondContact O-CD1 3.46Å
923	H	89.9	Confident	87.6	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-79.7	-13.8	-172.4	-63.6	93.3	0	0	0	113.9	F914 W919 L929 Y930 H932	F914-H923 AromaticContact CD2-CE1 3.78Å; F914-H923 AromaticContact CE2-CE1 3.65Å; F914-H923 AromaticContact CZ-CE1 3.89Å; W919-H923 AromaticContact CD2-CE1 3.8Å; W919-H923 AromaticContact CD2-ND1 3.38Å; W919-H923 AromaticContact CE2-CG 3.82Å; W919-H923 AromaticContact CE2-ND1 3.58Å; W919-H923 AromaticContact CE3-CE1 3.5Å; W919-H923 AromaticContact CE3-ND1 3.61Å; W919-H923 AromaticContact CG-ND1 3.77Å; W919-H923 AromaticContact CH2-CE1 3.82Å; W919-H923 AromaticContact CH2-NE2 3.91Å; W919-H923 HydrophobicContact CZ2-CB 4.44Å; W919-H923 AromaticContact CZ2-CG 3.91Å; W919-H923 AromaticContact CZ2-ND1 3.92Å; W919-H923 AromaticContact CZ3-CE1 3.54Å; W919-H923 AromaticContact CZ3-ND1 3.97Å; W919-H923 AromaticContact CZ3-NE2 4Å; W919-H923 VanDerWaalsContact O-CB 3.31Å; W919-H923 WeakPolarHBondContact O-CB 3.35Å; W919-H923 PolarHBondContact O-N 3.38Å; W919-H923 PolarHBondContact O-ND1 2.98Å; W919-H923 VanDerWaalsContact O-ND1 3.13Å; H923-L929 CarbonylContact O-C 3.5Å; H923-Y930 WeakPolarHBondContact O-CA 3.49Å; H923-Y930 PolarHBondContact O-N 3.33Å; H923-H932 AromaticContact CD2-CG 3.86Å; H923-H932 AromaticContact CD2-ND1 3.56Å; H923-H932 AromaticContact NE2-ND1 3.76Å
924	N	83.6	Confident	87.5	Confident	88 Å²	88	57.6 Å²	57.6	47%	0.471	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3.8	170.8	-57.7	-22.2	0	0	0	112.9	H920 W922	H920-N924 PolarHBondContact ND1-ND2 3.3Å; H920-N924 WeakPolarHBondContact O-CB 3.38Å; H920-N924 VanDerWaalsContact O-CG 3.3Å; H920-N924 PolarHBondContact O-N 3.45Å; H920-N924 VanDerWaalsContact O-N 3.14Å; H920-N924 PolarHBondContact O-ND2 3.38Å; W922-N924 VanDerWaalsContact C-N 3.33Å; W922-N924 PolarHBondContact O-N 3.48Å
925	S	79.4	Confident	87.5	Confident	79 Å²	79	57.7 Å²	57.7	55%	0.552	30%	0.3	S	S	*	.	S	Bend	trans	-72.5	-33.4	-176.9	-75	0	0	0	0	113.8	M921 W922	M921-S925 PolarHBondContact O-OG 3.06Å; W922-S925 VanDerWaalsContact O-CB 3.3Å; W922-S925 WeakPolarHBondContact O-CB 3.46Å; W922-S925 PolarHBondContact O-N 3.32Å; W922-S925 PolarHBondContact O-OG 2.95Å
926	T	80.5	Confident	87.3	Confident	66 Å²	66	61 Å²	61	41%	0.405	31%	0.312	S	S	.	.	S	Bend	trans	-139.8	156	-177.7	68.3	0	0	0	0	111.6	T928 L929 Y930	T926-T928 PolarHBondContact O-N 3.22Å; T926-T928 PolarHBondContact OG1-OG1 3.43Å; T926-T928 VanDerWaalsContact OG1-OG1 3.11Å; T926-L929 PolarHBondContact O-N 3.44Å; T926-L929 WeakPolarHBondContact OG1-CB 3.45Å; T926-L929 WeakPolarHBondContact OG1-CD1 3.47Å; T926-L929 WeakPolarHBondContact OG1-CG 3.42Å; T926-L929 PolarHBondContact OG1-N 3.47Å; T926-Y930 PolarHBondContact O-N 3.49Å; T926-Y930 VanDerWaalsContact O-N 3.09Å
927	E	77.2	Confident	87	Confident	149 Å²	149	63.7 Å²	63.7	70%	0.696	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.9	179.1	-171.5	174.7	-166.6	0	0	112.4
928	T	80.3	Confident	86.2	Confident	99 Å²	99	66 Å²	66	61%	0.607	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-45.2	177.7	55.4	0	0	0	0	112	T926 Y930 T931	T926-T928 PolarHBondContact O-N 3.22Å; T926-T928 PolarHBondContact OG1-OG1 3.43Å; T926-T928 VanDerWaalsContact OG1-OG1 3.11Å; T928-Y930 VanDerWaalsContact C-N 3.3Å; T928-Y930 PolarHBondContact O-N 3.33Å; T928-T931 PolarHBondContact O-N 2.95Å; T928-T931 PolarHBondContact O-OG1 2.83Å
929	L	86.4	Confident	84.5	Confident	17 Å²	17	68.9 Å²	68.9	9%	0.089	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-70.7	-26.2	-177.4	-64.3	176.1	0	0	0	112.3	W922 H923 T926 T931 H932	W922-L929 WeakPolarHBondContact O-CD1 3.46Å; H923-L929 CarbonylContact O-C 3.5Å; T926-L929 PolarHBondContact O-N 3.44Å; T926-L929 WeakPolarHBondContact OG1-CB 3.45Å; T926-L929 WeakPolarHBondContact OG1-CD1 3.47Å; T926-L929 WeakPolarHBondContact OG1-CG 3.42Å; T926-L929 PolarHBondContact OG1-N 3.47Å; L929-T931 PolarHBondContact O-N 3.38Å; L929-T931 VanDerWaalsContact O-N 3.16Å; L929-H932 WeakPolarHBondContact CD2-CE1 3.49Å; L929-H932 WeakPolarHBondContact O-CB 3.35Å; L929-H932 PolarHBondContact O-N 2.93Å
930	Y	83.2	Confident	82.1	Confident	145 Å²	145	77 Å²	77	57%	0.569	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-60.9	-25	177.9	-173.2	-97.3	0	0	0	113.1	H923 T926 T928 H932	H923-Y930 WeakPolarHBondContact O-CA 3.49Å; H923-Y930 PolarHBondContact O-N 3.33Å; T926-Y930 PolarHBondContact O-N 3.49Å; T926-Y930 VanDerWaalsContact O-N 3.09Å; T928-Y930 VanDerWaalsContact C-N 3.3Å; T928-Y930 PolarHBondContact O-N 3.33Å; Y930-H932 VanDerWaalsContact C-N 3.3Å
931	T	87	Confident	79.4	Confident	100 Å²	100	80.9 Å²	80.9	61%	0.613	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-82.6	-7.7	178.5	68.6	0	0	0	0	113.7	T928 L929	T928-T931 PolarHBondContact O-N 2.95Å; T928-T931 PolarHBondContact O-OG1 2.83Å; L929-T931 PolarHBondContact O-N 3.38Å; L929-T931 VanDerWaalsContact O-N 3.16Å
932	H	91.8	Very high	76.6	Confident	27 Å²	27	81.6 Å²	81.6	13%	0.125	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-69	137.6	-178.9	-69.5	-166	0	0	0	110.9	C905 A907 C910 H923 L929 Y930	C905-H932 PolarHBondContact SG-ND1 3.2Å; A907-H932 WeakPolarHBondContact CB-CE1 3.4Å; A907-H932 WeakPolarHBondContact CB-NE2 3.44Å; C910-H932 VanDerWaalsContact SG-CE1 3.53Å; C910-H932 PolarHBondContact SG-ND1 2.92Å; C910-H932 VanDerWaalsContact SG-ND1 3.36Å; H923-H932 AromaticContact CD2-CG 3.86Å; H923-H932 AromaticContact CD2-ND1 3.56Å; H923-H932 AromaticContact NE2-ND1 3.76Å; L929-H932 WeakPolarHBondContact CD2-CE1 3.49Å; L929-H932 WeakPolarHBondContact O-CB 3.35Å; L929-H932 PolarHBondContact O-N 2.93Å; Y930-H932 VanDerWaalsContact C-N 3.3Å
933	K	91.6	Very high	74.1	Confident	120 Å²	120	84.5 Å²	84.5	52%	0.522	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-102.2	131.4	-177.4	-63.6	-176.1	-178	177.5	0	110.3	Y659 L935	Y659-K933 HydrophobicContact CD2-CB 3.83Å; Y659-K933 HydrophobicContact CD2-CD 3.66Å; Y659-K933 HydrophobicContact CD2-CG 4.38Å; Y659-K933 HydrophobicContact CE2-CB 4.44Å; Y659-K933 HydrophobicContact CE2-CD 4.36Å; Y659-K933 HydrophobicContact CG-CB 4.38Å; K933-L935 WeakPolarHBondContact O-CD1 3.31Å
934	P	93.6	Very high	71.3	Confident	5 Å²	5	90.8 Å²	90.8	3%	0.032	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138.4	175	29.4	-32.5	0	0	0	110.4	I652 A655 A656 Y903 W919	I652-P934 HydrophobicContact CG2-CB 3.59Å; I652-P934 HydrophobicContact CG2-CG 3.65Å; A655-P934 HydrophobicContact CB-CG 3.69Å; A656-P934 VanDerWaalsContact CA-O 3.3Å; A656-P934 WeakPolarHBondContact CA-O 3.41Å; A656-P934 HydrophobicContact CB-CB 4.34Å; A656-P934 HydrophobicContact CB-CG 4.14Å; Y903-P934 HydrophobicContact CD1-CB 4.12Å; Y903-P934 HydrophobicContact CG-CB 4.45Å; W919-P934 HydrophobicContact CD2-CB 4.3Å; W919-P934 HydrophobicContact CE3-CB 4.22Å; W919-P934 HydrophobicContact CH2-CB 3.56Å; W919-P934 HydrophobicContact CH2-CG 4.38Å; W919-P934 VanDerWaalsContact CH2-N 3.32Å; W919-P934 HydrophobicContact CZ2-CB 3.59Å; W919-P934 HydrophobicContact CZ2-CG 3.98Å; W919-P934 HydrophobicContact CZ3-CB 3.85Å
935	L	93.8	Very high	68.8	Low	8 Å²	8	95.7 Å²	95.7	4%	0.042	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	142.4	167	-67.3	83.4	0	0	0	108.5	Y659 D885 L888 Y903 F904 R906 K933	Y659-L935 HydrophobicContact CD1-CD1 4.5Å; Y659-L935 HydrophobicContact CD1-CD2 4.32Å; Y659-L935 HydrophobicContact CD1-CG 3.85Å; Y659-L935 HydrophobicContact CE1-CD1 4.15Å; Y659-L935 HydrophobicContact CE1-CD2 3.6Å; Y659-L935 HydrophobicContact CE1-CG 3.57Å; D885-L935 HydrophobicContact CB-CD2 3.89Å; D885-L935 WeakPolarHBondContact OD1-CD2 3.46Å; L888-L935 HydrophobicContact CD1-CB 4.14Å; Y903-L935 CarbonylContact C-O 3.54Å; Y903-L935 WeakPolarHBondContact CA-O 3.22Å; F904-L935 HydrophobicContact CB-CB 4.33Å; F904-L935 PolarHBondContact N-O 3.31Å; F904-L935 WeakPolarHBondContact O-CB 3.48Å; F904-L935 WeakPolarHBondContact O-CD1 3.35Å; F904-L935 PolarHBondContact O-N 3.14Å; R906-L935 HydrophobicContact CB-CD1 3.7Å; R906-L935 HydrophobicContact CG-CD1 3.73Å; K933-L935 WeakPolarHBondContact O-CD1 3.31Å
936	R	89.6	Confident	66.2	Low	74 Å²	74	100 Å²	100	28%	0.279	49%	0.488	S	S	.	.			trans	-144.6	146.5	177.8	-179.8	178.2	160.1	-174.2	2.1	110.1	D653 A656 Y903 F939	D653-R936 IonicContact OD1-CZ 3.76Å; D653-R936 IonicContact OD1-NH1 3.74Å; D653-R936 PolarHBondContact OD1-NH1 3.44Å; D653-R936 IonicContact OD2-NH1 2.82Å; D653-R936 PolarHBondContact OD2-NH1 3.04Å; A656-R936 HydrophobicContact CB-CB 4.06Å; Y903-R936 HydrophobicContact CD1-CB 4.13Å; Y903-R936 HydrophobicContact CE1-CB 4.41Å; R936-F939 HydrophobicContact CG-CE2 4.07Å
937	R	83.1	Confident	63.8	Low	72 Å²	72	107.1 Å²	107.1	27%	0.272	51%	0.508	S	S	.	.			trans	-68.2	144.8	170.3	-70.8	171.4	158.1	-163.2	-14.5	110.4	L888 E889 D890 F939	L888-R937 HydrophobicContact CB-CG 3.65Å; L888-R937 HydrophobicContact CD1-CG 4.07Å; L888-R937 HydrophobicContact CG-CG 4.44Å; L888-R937 PolarHBondContact O-NE 3.31Å; L888-R937 PolarHBondContact O-NH2 2.79Å; E889-R937 VanDerWaalsContact C-CZ 3.49Å; E889-R937 VanDerWaalsContact CA-CZ 3.4Å; E889-R937 VanDerWaalsContact CA-NH2 3.27Å; D890-R937 IonicContact OD1-CZ 3.2Å; D890-R937 IonicContact OD1-NH1 2.64Å; D890-R937 PolarHBondContact OD1-NH1 2.99Å; D890-R937 IonicContact OD2-NH1 2.65Å; D890-R937 PolarHBondContact OD2-NH1 3.42Å; R937-F939 WeakPolarHBondContact O-CD2 3.3Å; R937-F939 PolarHBondContact O-N 3.34Å; R937-F939 VanDerWaalsContact O-N 3.08Å
938	T	69.7	Low	61.3	Low	85 Å²	85	109.1 Å²	109.1	52%	0.521	52%	0.517	S	S	.	.			trans	-73.3	106.7	171	-51.4	0	0	0	0	108.1	R660 K940	R660-T938 PolarHBondContact NH1-OG1 3.28Å; T938-K940 PolarHBondContact O-N 3.27Å
939	F	57.4	Low	58.9	Low	79 Å²	79	109.7 Å²	109.7	35%	0.346	52%	0.52	S	S	.	.			trans	-70.7	117.7	170.1	-68.6	-89.5	0	0	0	107.2	M902 R936 R937 P941	M902-F939 HydrophobicContact CE-CE2 4.16Å; M902-F939 HydrophobicContact CE-CZ 4.37Å; R936-F939 HydrophobicContact CG-CE2 4.07Å; R937-F939 WeakPolarHBondContact O-CD2 3.3Å; R937-F939 PolarHBondContact O-N 3.34Å; R937-F939 VanDerWaalsContact O-N 3.08Å; F939-P941 WeakPolarHBondContact O-CD 3.32Å
940	K	42.5	Very low	56.1	Low	183 Å²	183	111.5 Å²	111.5	80%	0.796	54%	0.543	S	S	*	.			trans	-59	125	154.5	-75.4	177.5	179.5	170.2	0	104.8	T938 N942	T938-K940 PolarHBondContact O-N 3.27Å; K940-N942 PolarHBondContact O-N 3.23Å
941	P	31.5	Very low	53.5	Low	109 Å²	109	108.5 Å²	108.5	71%	0.708	54%	0.54	S	S	*	.			trans	-63.6	89.1	169.1	26.7	-31.1	0	0	0	106.1	F939 I943	F939-P941 WeakPolarHBondContact O-CD 3.32Å; P941-I943 PolarHBondContact O-N 3.17Å
942	N	28.2	Very low	50.8	Low	110 Å²	110	109 Å²	109	59%	0.588	54%	0.543	S	S	*	.			trans	-72.3	111	164	-150.5	-5.9	0	0	0	103.2	K940 D944 R945	K940-N942 PolarHBondContact O-N 3.23Å; N942-D944 PolarHBondContact O-N 3.17Å; N942-R945 PolarHBondContact O-N 2.97Å
943	I	35.5	Very low	47.9	Very low	157 Å²	157	113 Å²	113	81%	0.805	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-10.5	-178.3	-70.3	169.1	0	0	0	110.9	P941	P941-I943 PolarHBondContact O-N 3.17Å
944	D	31.1	Very low	45	Very low	135 Å²	135	112.6 Å²	112.6	72%	0.722	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	0	177.1	-58.1	-35.7	0	0	0	116.1	N942 Q946	N942-D944 PolarHBondContact O-N 3.17Å; D944-Q946 VanDerWaalsContact C-N 3.32Å; D944-Q946 PolarHBondContact O-N 3.08Å
945	R	30.6	Very low	42.1	Very low	191 Å²	191	117.6 Å²	117.6	72%	0.721	61%	0.607	S	S	*	*			trans	-96.9	48.3	169.4	-79.2	-165.4	178	-164.8	3.1	112	N942	N942-R945 PolarHBondContact O-N 2.97Å
946	Q	25.7	Very low	39	Very low	170 Å²	170	123.3 Å²	123.3	79%	0.794	64%	0.642	S	S	*	*	S	Bend	trans	-72.3	122.8	150.1	-150.8	171.6	13.5	0	0	105.4	D944 Q948	D944-Q946 VanDerWaalsContact C-N 3.32Å; D944-Q946 PolarHBondContact O-N 3.08Å; Q946-Q948 PolarHBondContact O-N 3.06Å
947	W	30	Very low	36.4	Very low	215 Å²	215	125.6 Å²	125.6	81%	0.814	66%	0.664	S	S	*	*			trans	-49.8	103.6	171.7	-68.2	80.5	0	0	0	108	T949	W947-T949 PolarHBondContact O-N 3.41Å
948	Q	24.9	Very low	33.8	Very low	190 Å²	190	128.8 Å²	128.8	89%	0.888	69%	0.692	S	S	*	*			trans	-71.4	86.5	165.7	-78.1	-172.9	-4.6	0	0	105.9	Q946 G950	Q946-Q948 PolarHBondContact O-N 3.06Å; Q948-G950 PolarHBondContact O-N 3.35Å
949	T	29.1	Very low	32.2	Very low	111 Å²	111	131 Å²	131	68%	0.681	71%	0.706	S	S	*	*			trans	-65	65.9	147	43.9	0	0	0	0	107.7	W947 V951	W947-T949 PolarHBondContact O-N 3.41Å; T949-V951 PolarHBondContact O-N 3.38Å
950	G	28.1	Very low	31.2	Very low	55 Å²	55	133.7 Å²	133.7	57%	0.567	73%	0.728	S	S	*	*			trans	-87.5	93.8	176.6	0	0	0	0	0	109.4	Q948 V952	Q948-G950 PolarHBondContact O-N 3.35Å; G950-V952 PolarHBondContact O-N 3.03Å; G950-V952 VanDerWaalsContact O-N 3.1Å
951	V	29.5	Very low	30.8	Very low	82 Å²	82	131.4 Å²	131.4	50%	0.497	73%	0.73	S	S	.	*			trans	-63.1	105.9	164.5	179.7	0	0	0	0	107.5	T949 V953	T949-V951 PolarHBondContact O-N 3.38Å; V951-V953 HydrophobicContact CG1-CG2 3.84Å; V951-V953 PolarHBondContact O-N 3.41Å
952	V	29.9	Very low	31	Very low	111 Å²	111	131.1 Å²	131.1	67%	0.673	74%	0.737	S	S	*	*			trans	-81.3	92.7	172.3	-179.6	0	0	0	0	108.4	G950 T954	G950-V952 PolarHBondContact O-N 3.03Å; G950-V952 VanDerWaalsContact O-N 3.1Å; V952-T954 PolarHBondContact O-N 2.76Å
953	V	31.8	Very low	31.3	Very low	110 Å²	110	132.4 Å²	132.4	67%	0.667	75%	0.749	S	S	*	*			trans	-76.2	101.1	167.8	-176.9	0	0	0	0	108.2	V951 T955	V951-V953 HydrophobicContact CG1-CG2 3.84Å; V951-V953 PolarHBondContact O-N 3.41Å; V953-T955 PolarHBondContact O-N 3.18Å
954	T	29.9	Very low	31.5	Very low	112 Å²	112	130 Å²	130	69%	0.687	75%	0.753	S	S	*	*			trans	-80.7	102.3	172.4	-53.7	0	0	0	0	109	V952	V952-T954 PolarHBondContact O-N 2.76Å
955	T	32.1	Very low	31.6	Very low	110 Å²	110	130 Å²	130	68%	0.675	76%	0.757	S	S	*	*			trans	-92.6	106.8	169.7	-43.9	0	0	0	0	108.5	V953 V957	V953-T955 PolarHBondContact O-N 3.18Å; T955-V957 HydrophobicContact CG2-CG2 4.3Å; T955-V957 PolarHBondContact O-N 3.39Å
956	T	30	Very low	32.1	Very low	128 Å²	128	127 Å²	127	79%	0.785	76%	0.761	S	S	*	*			trans	-74.7	113.3	170.9	44.9	0	0	0	0	109.7
957	V	35.2	Very low	32.7	Very low	122 Å²	122	124.4 Å²	124.4	74%	0.739	76%	0.757	S	S	*	*			trans	-116.3	118.4	164.3	-173.9	0	0	0	0	108.3	T955	T955-V957 HydrophobicContact CG2-CG2 4.3Å; T955-V957 PolarHBondContact O-N 3.39Å
958	T	28.1	Very low	33.3	Very low	139 Å²	139	120.5 Å²	120.5	85%	0.853	76%	0.756	S	S	*	*			trans	-75.8	123.3	175.8	7.1	0	0	0	0	109.9
959	T	36.1	Very low	33.9	Very low	132 Å²	132	116.1 Å²	116.1	81%	0.81	75%	0.747	S	S	*	*			trans	-151.9	138.1	156.4	-27	0	0	0	0	112.6
960	T	36.2	Very low	34.3	Very low	135 Å²	135	117.4 Å²	117.4	83%	0.828	75%	0.754	S	S	*	*			trans	-73.7	144.5	-164.6	-34.7	0	0	0	0	113.9
961	T	33.6	Very low	34.7	Very low	136 Å²	136	119.5 Å²	119.5	83%	0.834	77%	0.766	S	S	*	*			trans	-78.9	142.6	175.9	36	0	0	0	0	113.3
962	A	36.7	Very low	34.9	Very low	103 Å²	103	121.3 Å²	121.3	85%	0.851	78%	0.777	S	S	*	*			trans	-140.1	124	158	0	0	0	0	0	109.8
963	T	34.3	Very low	35.2	Very low	137 Å²	137	122.7 Å²	122.7	84%	0.84	79%	0.786	S	S	*	*			trans	-84.8	142.7	-177.4	40	0	0	0	0	112.9
964	A	39.3	Very low	35.3	Very low	107 Å²	107	123 Å²	123	88%	0.884	79%	0.789	S	S	*	*			trans	-144.6	125.5	154.7	0	0	0	0	0	110.4
965	T	33.7	Very low	35.4	Very low	133 Å²	133	126.8 Å²	126.8	82%	0.816	80%	0.799	S	S	*	*			trans	-110.2	134.8	-174.2	-9.6	0	0	0	0	109.4
966	T	40.6	Very low	35.4	Very low	129 Å²	129	127.1 Å²	127.1	79%	0.791	81%	0.805	S	S	*	*			trans	-156.8	107.9	157.8	-17.9	0	0	0	0	112.4
967	T	38.9	Very low	35.5	Very low	115 Å²	115	132.6 Å²	132.6	71%	0.706	81%	0.812	S	S	*	*			trans	53	116.3	137.8	59.4	0	0	0	0	123
968	V	41.6	Very low	35.3	Very low	133 Å²	133	140.3 Å²	140.3	81%	0.806	84%	0.836	S	S	*	*				79.7	126.9	103.4	178.5	0	0	0	0	112.3
969	S	37.9	Very low	35.6	Very low	99 Å²	99	140.4 Å²	140.4	69%	0.692	84%	0.835	S	S	*	*			cis	-168.9	129.6	42.4	31.7	0	0	0	0	113.7
970	V	36.8	Very low	35.6	Very low	137 Å²	137	140.8 Å²	140.8	83%	0.83	84%	0.836	S	S	*	*				41.2	118.9	120.1	-170.3	0	0	0	0	120.6
971	A	36.5	Very low	35.6	Very low	100 Å²	100	141.1 Å²	141.1	83%	0.826	84%	0.837	S	S	*	*				-167.6	125.5	124.3	0	0	0	0	0	111.9
972	T	33	Very low	35.7	Very low	119 Å²	119	141.4 Å²	141.4	73%	0.73	84%	0.837	S	S	*	*			trans	-77.8	142.5	-176	-41.3	0	0	0	0	112.3
973	T	36.4	Very low	35.6	Very low	140 Å²	140	143.8 Å²	143.8	86%	0.859	84%	0.836	S	S	*	*			trans	-159.2	120.9	137.1	-65.2	0	0	0	0	109.8
974	T	33.8	Very low	35.7	Very low	118 Å²	118	144.3 Å²	144.3	72%	0.724	84%	0.836	S	S	*	*			trans	-73.9	135.7	173.6	42.2	0	0	0	0	112.2
975	Q	32.3	Very low	35.5	Very low	190 Å²	190	146.9 Å²	146.9	89%	0.888	83%	0.832	S	S	*	*			trans	-159	122.3	137.2	-116.4	175	12	0	0	110
976	S	31.9	Very low	35.6	Very low	117 Å²	117	148 Å²	148	82%	0.818	83%	0.833	S	S	*	*			trans	-54.9	127	172	49.1	0	0	0	0	110.8
977	R	33.6	Very low	35.2	Very low	244 Å²	244	149.6 Å²	149.6	92%	0.921	84%	0.837	S	S	*	*			trans	-91.9	137.1	161.6	-84.8	-175.1	178.9	175.6	-0.2	109.4
978	F	29.6	Very low	34.9	Very low	283 Å²	283	152.7 Å²	152.7	100%	1.241	85%	0.849	S	S	*	*			trans	-36.5	0	156.9	-81.3	-97.7	0	0	0	113.6

Retrieved 978 of 978 residues in 507.1 ms (Link to these results)

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