A0A087XVG0_POEFO Loading...

Nuclear receptor subfamily 3, group C, member 2

AlphaFold DB , UniProt , Accession A0A087XVG0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 993 aa.

						>A0A087XVG0_POEFO|A0A087XVG0
METKGYQSFFDGEDAEDKWSEAPSTMEYSCSTEDSSLTSSDILMDVVNVSCCAGSLAADSKDKNTKKQEQPTLQLSQSQPFVLPHFNNTLHGLKQEMDSKELSKTVAESMGLYMNAAREADFAFSHHGGNSSPGKPYPVCGRSLEENQCCSKKSPKLKPFGFQQPGATPRECTTGTVVSSASMLVSSLSCSPQTSSCISSPGGSNNMVSSTTSPTCFGPLCSSVSSPGSQTLCAATLANIKSRNSVTCSPVESSTVGSPPLTSPLNVMRSPMSSPQSMSSVRSPPSCSTTCNIRSSVSSPTGGSCTAGTNNSNTARLSISSPASGGPMAASSPQNPSSVGFPVSSPAGGLGLVQNDTNSPDAEGMTRDTDFKNFEFPKVEMVDGEVFSVGLDQMGMVKYIKNEPETDFRSMCLGSSKCNVSSAPLITQIKSEPNKNEGCMNQQPFGETSPSLGLFPASETTYLSLRNNIDEYSLSGILGPPVSSVNGNYETDLFSNNVLSKGVKQESNDGSYYQENNSMSTSAIVGVNSGGHSFHYQIGAQGTMSFTRHDMRDPSNPLLNLISPVTALMESWKSRPGMSQGSLSARSEGFSGQNCIADSMSSSALRQPSSTAKVCLVCGDEASGCHYGVVTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRVRKCLQAGMNLGARKSKKLKLKGVNEDLQSSKDAQIATGGVGGGYLSSEKELSASAANALVPHGPGVLTPFLPPSICSVLELIEPEEVYSGYDNSQPDTTDHLLSSLNRLAGKQMVRMVKWAKVLPGFRGLPIEDQITLIQYSWMCLSSFCLSWRSYKHTNGQMLYFAPDLIFNEERMRQSAMYDLCLGMRQVSQEFVRLQLTYDEFLSMKVLLLLSTVPKEGLKNQAAFEEMRVNYIKELRRSVGKATNNSGQTWQRFFQLTKLLDAMHDLVGNLLDFCFYTFRESQALKVEFPEMLVEIISDQIPKVESGLTHTIYFHKK
					

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	26.4	Very low	30	Very low	216 Å²	216	161.1 Å²	161.1	100%	1.064	82%	0.815	S	S	*	*				0	161	0	-71.6	63.9	171.2	0	0	108.3
2	E	30.6	Very low	29.7	Very low	169 Å²	169	153.4 Å²	153.4	79%	0.79	81%	0.807	S	S	*	*			trans	27.1	145.4	134.6	-64.5	151.8	160.8	0	0	120.6
3	T	33.3	Very low	29.7	Very low	136 Å²	136	155.8 Å²	155.8	83%	0.834	81%	0.811	S	S	*	*			cis	-149.6	171.1	6.4	-7.3	0	0	0	0	111.9
4	K	43.6	Very low	29.6	Very low	194 Å²	194	155.8 Å²	155.8	84%	0.843	81%	0.813	S	S	*	*			trans	-106.9	157	170.3	-69.1	-179.5	177.4	178.6	0	111.2
5	G	30.6	Very low	29.6	Very low	72 Å²	72	151.7 Å²	151.7	74%	0.742	81%	0.81	S	S	*	*			trans	-136.5	132.3	157.4	0	0	0	0	0	111.2
6	Y	27.2	Very low	29.6	Very low	203 Å²	203	153.9 Å²	153.9	80%	0.796	81%	0.814	S	S	*	*			trans	-92.7	-179.2	157.5	-95	-124.2	0	0	0	107.1
7	Q	29.9	Very low	29.6	Very low	156 Å²	156	151.9 Å²	151.9	73%	0.729	80%	0.804	S	S	*	*			cis	-170.3	167.8	35.6	-171.7	85.3	23.9	0	0	110.5
8	S	26	Very low	29.5	Very low	108 Å²	108	152.3 Å²	152.3	76%	0.755	80%	0.798	S	S	*	*			trans	87.1	166.6	146.2	14.2	0	0	0	0	122
9	F	27	Very low	29.4	Very low	191 Å²	191	157.1 Å²	157.1	84%	0.838	80%	0.804	S	S	*	*			trans	-144.3	-179.1	-161.1	-124	-95.4	0	0	0	109.5
10	F	27.9	Very low	29.3	Very low	177 Å²	177	153.9 Å²	153.9	78%	0.776	80%	0.797	S	S	*	*			trans	79.2	127.3	-175.2	-67.1	-93.7	0	0	0	113.3
11	D	27.4	Very low	29.1	Very low	150 Å²	150	156 Å²	156	80%	0.802	80%	0.803	S	S	*	*				65.6	129.1	62.6	-69.5	-28.2	0	0	0	112.7
12	G	26.9	Very low	29.1	Very low	69 Å²	69	150 Å²	150	71%	0.711	79%	0.788	S	S	*	*			cis	-179.4	-175.9	-2.3	0	0	0	0	0	112.4
13	E	29.4	Very low	30	Very low	184 Å²	184	147.3 Å²	147.3	86%	0.86	79%	0.785	S	S	*	*			trans	59.1	117	164.6	-63.8	-172.1	140.7	0	0	122.4
14	D	27.7	Very low	29.9	Very low	156 Å²	156	145.7 Å²	145.7	83%	0.834	78%	0.779	S	S	*	*				65.3	165.5	124.8	-68.6	11.6	0	0	0	126.2
15	A	30.1	Very low	29.1	Very low	94 Å²	94	143.5 Å²	143.5	78%	0.777	78%	0.783	S	S	*	*			trans	70.9	117.2	-177.6	0	0	0	0	0	116.6
16	E	29.3	Very low	29.2	Very low	188 Å²	188	148.4 Å²	148.4	88%	0.879	79%	0.788	S	S	*	*			cis	92.9	107.6	42.8	-75	-141.9	126	0	0	116.3
17	D	30.4	Very low	29.2	Very low	120 Å²	120	147.3 Å²	147.3	64%	0.642	79%	0.79	S	S	*	*				96.3	143.4	129.1	-149.8	15.4	0	0	0	123.1
18	K	27.8	Very low	29.2	Very low	158 Å²	158	149.4 Å²	149.4	69%	0.687	79%	0.793	S	S	*	*			trans	63.3	132	169.8	-53.9	-170.3	174.2	63.3	0	120.1
19	W	27.4	Very low	29.4	Very low	243 Å²	243	148.3 Å²	148.3	92%	0.92	79%	0.785	S	S	*	*			cis	66.7	128.2	47.6	-70.5	66.2	0	0	0	112.7
20	S	27.5	Very low	29.5	Very low	94 Å²	94	144.9 Å²	144.9	66%	0.657	78%	0.783	S	S	*	*			cis	-157.9	-175.3	18.7	-65.6	0	0	0	0	113.6
21	E	24.9	Very low	29.7	Very low	197 Å²	197	140.8 Å²	140.8	92%	0.921	78%	0.777	S	S	*	*			trans	97.7	155.8	150.6	-67.8	-170.8	136.5	0	0	122.3
22	A	25.4	Very low	29.9	Very low	91 Å²	91	138.7 Å²	138.7	75%	0.752	77%	0.77	S	S	*	*			trans	-150.1	-157.7	-169.7	0	0	0	0	0	107.3
23	P	50	Low	30.1	Very low	113 Å²	113	143.7 Å²	143.7	73%	0.734	77%	0.774	S	S	*	*			cis	-142.1	-172.2	-4	43.6	-24	0	0	0	116.8
24	S	32	Very low	30.2	Very low	101 Å²	101	141.7 Å²	141.7	71%	0.706	77%	0.77	S	S	*	*			trans	79.5	130.2	142.4	74.4	0	0	0	0	123.4
25	T	26.8	Very low	30.5	Very low	149 Å²	149	139 Å²	139	91%	0.914	76%	0.763	S	S	*	*				-168.4	163.7	117.3	14.5	0	0	0	0	110.8
26	M	31.6	Very low	30.5	Very low	175 Å²	175	138.9 Å²	138.9	86%	0.862	76%	0.757	S	S	*	*			trans	-159.2	153.4	-161.3	174.7	-176.8	175.6	0	0	113.7
27	E	28	Very low	30.6	Very low	180 Å²	180	137.3 Å²	137.3	84%	0.841	75%	0.753	S	S	*	*			trans	-151.3	157.7	160.8	-83.3	-167.4	-97	0	0	108.4
28	Y	28.7	Very low	30.5	Very low	200 Å²	200	137.6 Å²	137.6	78%	0.784	76%	0.76	S	S	*	*			cis	-160.7	-150	-22.6	-171.7	-118.5	0	0	0	108.8
29	S	31.3	Very low	30.5	Very low	85 Å²	85	134.8 Å²	134.8	59%	0.594	76%	0.76	S	S	*	*			trans	-129.9	179.2	-173.4	-47.5	0	0	0	0	111.1
30	C	28.6	Very low	30.5	Very low	118 Å²	118	127.8 Å²	127.8	80%	0.797	75%	0.748	S	S	*	*			cis	-159.2	-164.6	6.9	-133	0	0	0	0	106.9
31	S	32.8	Very low	30.4	Very low	92 Å²	92	129.4 Å²	129.4	64%	0.643	75%	0.749	S	S	*	*			cis	-166.3	-153.8	-6	44.7	0	0	0	0	106.8
32	T	31.9	Very low	30.6	Very low	105 Å²	105	127.1 Å²	127.1	64%	0.644	74%	0.742	S	S	*	*			cis	-162.9	159.4	3.1	-9	0	0	0	0	110.4
33	E	31.4	Very low	30.8	Very low	174 Å²	174	130.5 Å²	130.5	81%	0.813	75%	0.746	S	S	*	*			trans	49.4	144.9	148	-70.7	163.8	-128.6	0	0	124.4
34	D	31.4	Very low	30	Very low	143 Å²	143	133.2 Å²	133.2	77%	0.765	75%	0.751	S	S	*	*			cis	-165.4	164.4	-35	-151.7	-8.1	0	0	0	112.5
35	S	32.5	Very low	29.6	Very low	100 Å²	100	135.9 Å²	135.9	70%	0.699	76%	0.758	S	S	*	*			trans	79.4	153	156.4	86.4	0	0	0	0	118.5
36	S	31.5	Very low	29.7	Very low	91 Å²	91	133.7 Å²	133.7	64%	0.636	74%	0.744	S	S	*	*			cis	-172	172.8	-21.9	49.5	0	0	0	0	111.5
37	L	30.7	Very low	29.6	Very low	154 Å²	154	131.9 Å²	131.9	81%	0.806	74%	0.743	S	S	*	*			trans	73.3	150.9	167.3	-46.7	-177.3	0	0	0	116
38	T	28	Very low	29.5	Very low	126 Å²	126	129.7 Å²	129.7	77%	0.773	74%	0.737	S	S	*	*			cis	-159.2	173.7	-7.7	8.3	0	0	0	0	111.7
39	S	27.9	Very low	29.4	Very low	99 Å²	99	126.1 Å²	126.1	69%	0.692	74%	0.736	S	S	*	*			trans	-27.1	145.9	161.9	-77.5	0	0	0	0	117.5
40	S	27.2	Very low	29	Very low	97 Å²	97	126.8 Å²	126.8	68%	0.678	74%	0.74	S	S	*	*			cis	-176	156.6	1.1	43.7	0	0	0	0	111.1
41	D	26.4	Very low	28.8	Very low	127 Å²	127	126.4 Å²	126.4	68%	0.679	74%	0.738	S	S	*	*			cis	-168.4	150.7	-19	-85.4	-32.6	0	0	0	106.3
42	I	28.7	Very low	28.3	Very low	150 Å²	150	127.5 Å²	127.5	77%	0.769	74%	0.744	S	S	*	*			cis	-155	152.1	-18.5	-114.4	163.9	0	0	0	107.6
43	L	29.1	Very low	28.1	Very low	161 Å²	161	127.5 Å²	127.5	84%	0.843	76%	0.755	S	S	*	*			trans	-149	123.2	170.5	-172.4	131.7	0	0	0	109.8
44	M	32.8	Very low	27.9	Very low	170 Å²	170	123.1 Å²	123.1	84%	0.837	76%	0.756	S	S	*	*			trans	71.5	113.5	-179.9	-58.9	-73.1	-69.1	0	0	118.4
45	D	24.7	Very low	27.8	Very low	157 Å²	157	121.4 Å²	121.4	84%	0.84	76%	0.755	S	S	*	*			trans	-175.3	176	139.8	-138.1	1.7	0	0	0	108.5
46	V	29.3	Very low	27.5	Very low	104 Å²	104	124.1 Å²	124.1	63%	0.63	76%	0.761	S	S	*	*			cis	-152.5	-179	-6	75.3	0	0	0	0	109.2
47	V	29.6	Very low	27.2	Very low	137 Å²	137	124 Å²	124	83%	0.83	77%	0.766	S	S	*	*			trans	-118.6	148.1	159.6	162.3	0	0	0	0	111.3
48	N	25.1	Very low	27.1	Very low	134 Å²	134	122 Å²	122	72%	0.717	77%	0.771	S	S	*	*			trans	76.2	157.6	-171.3	-126.4	5.4	0	0	0	111.5
49	V	26.1	Very low	27	Very low	125 Å²	125	122.9 Å²	122.9	76%	0.758	77%	0.771	S	S	*	*			cis	-126.8	162.5	13.9	-175	0	0	0	0	112.1
50	S	24.3	Very low	26.9	Very low	99 Å²	99	122.3 Å²	122.3	69%	0.692	77%	0.767	S	S	*	*			trans	-42.7	160	165.8	-128.7	0	0	0	0	114.6
51	C	22.7	Very low	26.8	Very low	110 Å²	110	126 Å²	126	74%	0.743	77%	0.771	S	S	*	*			cis	-160.9	-177.2	31.2	-153.2	0	0	0	0	114.2
52	C	23.9	Very low	26.8	Very low	115 Å²	115	124.6 Å²	124.6	78%	0.777	76%	0.764	S	S	*	*			trans	83.7	98.2	161.3	-65.8	0	0	0	0	120.6
53	A	26.1	Very low	26.7	Very low	105 Å²	105	125.4 Å²	125.4	87%	0.868	76%	0.762	S	S	*	*				90.4	101.6	119.1	0	0	0	0	0	121.5
54	G	29.1	Very low	26.7	Very low	81 Å²	81	124.3 Å²	124.3	84%	0.835	76%	0.757	S	S	*	*			trans	99.6	136.7	147.5	0	0	0	0	0	116.3
55	S	27.9	Very low	26.5	Very low	108 Å²	108	121.2 Å²	121.2	76%	0.755	75%	0.747	S	S	*	*			cis	-158	140.8	-10.7	-162.4	0	0	0	0	112.4
56	L	26.6	Very low	26.6	Very low	157 Å²	157	122.3 Å²	122.3	82%	0.822	75%	0.745	S	S	*	*			trans	40.4	110.6	153.7	-67.3	170.5	0	0	0	121.1
57	A	25.6	Very low	26.6	Very low	89 Å²	89	125.2 Å²	125.2	74%	0.736	75%	0.749	S	S	*	*				54.1	117.7	120.3	0	0	0	0	0	120.6
58	A	27.9	Very low	26.4	Very low	112 Å²	112	124.7 Å²	124.7	93%	0.926	74%	0.737	S	S	*	*	S	Bend	trans	-84.5	99.4	134.7	0	0	0	0	0	109.2
59	D	26	Very low	26.5	Very low	143 Å²	143	126.2 Å²	126.2	77%	0.765	74%	0.74	S	S	*	*			trans	-162.2	149.6	136.7	-157.7	4.4	0	0	0	112.4
60	S	25.3	Very low	26.4	Very low	88 Å²	88	128.6 Å²	128.6	62%	0.615	74%	0.743	S	S	*	*			trans	71.5	114	149.9	84.3	0	0	0	0	119.2
61	K	26.1	Very low	27.1	Very low	174 Å²	174	128.8 Å²	128.8	76%	0.757	74%	0.742	S	S	*	*				113.7	146.2	105.7	-116.5	178.2	177.5	169.2	0	119.1
62	D	26.3	Very low	27.3	Very low	98 Å²	98	129.1 Å²	129.1	52%	0.524	74%	0.74	S	S	.	*			trans	65.9	99.5	146.6	-76.1	-24.9	0	0	0	120.7
63	K	27.1	Very low	27.3	Very low	167 Å²	167	130.1 Å²	130.1	73%	0.726	74%	0.738	S	S	*	*				74.5	103.1	120.1	-66.9	177.8	-173.6	92	0	118.2
64	N	27.4	Very low	27.2	Very low	138 Å²	138	133 Å²	133	74%	0.738	73%	0.733	S	S	*	*				79.2	139.3	106.7	-166.2	28.6	0	0	0	118.2
65	T	29.2	Very low	26.9	Very low	104 Å²	104	136 Å²	136	64%	0.638	73%	0.729	S	S	*	*			trans	62.3	149.7	173.1	63.4	0	0	0	0	116.7
66	K	28.2	Very low	26.7	Very low	181 Å²	181	135.2 Å²	135.2	79%	0.787	72%	0.724	S	S	*	*			cis	-163.9	150	-20.6	-115.2	172.7	-179.1	176.3	0	107
67	K	27.4	Very low	26.7	Very low	164 Å²	164	136.4 Å²	136.4	71%	0.713	73%	0.725	S	S	*	*			trans	54.5	131	147.4	-90.7	171.1	151.5	-90.3	0	119.6
68	Q	26.2	Very low	26.7	Very low	127 Å²	127	136.7 Å²	136.7	59%	0.593	72%	0.722	S	S	*	*				77.2	138.4	127.5	-159.6	163.4	-11.6	0	0	114.8
69	E	27.3	Very low	26.6	Very low	165 Å²	165	138.1 Å²	138.1	77%	0.771	71%	0.709	S	S	*	*			cis	-146.4	169.3	22.2	-155.4	129	-134.7	0	0	113.5
70	Q	23.9	Very low	26.6	Very low	175 Å²	175	136.8 Å²	136.8	82%	0.818	71%	0.708	S	S	*	*			trans	-88.2	-166.3	164.5	-109.4	-178	-5.8	0	0	109.5
71	P	39.5	Very low	26.5	Very low	103 Å²	103	139.9 Å²	139.9	67%	0.669	71%	0.711	S	S	*	*			cis	-123	-179	-11.9	21.4	4.8	0	0	0	111.7
72	T	25.4	Very low	26.4	Very low	117 Å²	117	136.6 Å²	136.6	72%	0.718	71%	0.705	S	S	*	*				158.3	156.5	84.5	40.3	0	0	0	0	106.5
73	L	23.9	Very low	26.3	Very low	137 Å²	137	139.4 Å²	139.4	72%	0.717	72%	0.719	S	S	*	*			cis	-161.8	149.6	-8.7	-107.7	165.9	0	0	0	108.9
74	Q	24.1	Very low	26.8	Very low	164 Å²	164	136.5 Å²	136.5	77%	0.766	72%	0.718	S	S	*	*			trans	27	151.3	144.6	-73	179.9	-20.7	0	0	122.6
75	L	23.8	Very low	26.7	Very low	145 Å²	145	136.9 Å²	136.9	76%	0.759	72%	0.715	S	S	*	*			cis	-160.9	168.8	15	-157.8	62.9	0	0	0	112.7
76	S	23.6	Very low	26.4	Very low	92 Å²	92	142.5 Å²	142.5	64%	0.643	73%	0.731	S	S	*	*			trans	89.1	108.4	143.5	-157.9	0	0	0	0	122.5
77	Q	26.6	Very low	26.3	Very low	181 Å²	181	139.2 Å²	139.2	85%	0.846	72%	0.722	S	S	*	*				31.7	145.5	121.3	-66.5	173.7	-1.9	0	0	121.3
78	S	25.7	Very low	26.2	Very low	96 Å²	96	139.4 Å²	139.4	67%	0.671	73%	0.731	S	S	*	*			cis	-174.5	152.4	0.2	46.6	0	0	0	0	114.8
79	Q	25.2	Very low	26.2	Very low	141 Å²	141	138.1 Å²	138.1	66%	0.659	73%	0.731	S	S	*	*			trans	63.3	148.6	153.8	-93.5	-174.7	-32.6	0	0	121.7	F81	Q79-F81 VanDerWaalsContact OE1-CE2 3.26Å
80	P	26.4	Very low	26.2	Very low	115 Å²	115	138 Å²	138	75%	0.747	74%	0.735	S	S	*	*				-125.9	-178.5	99.5	39.4	-35.4	0	0	0	114.9
81	F	22.5	Very low	26.4	Very low	154 Å²	154	137.8 Å²	137.8	68%	0.675	73%	0.734	S	S	*	*			trans	-97	153	174	-75.3	-112	0	0	0	110.9	Q79	Q79-F81 VanDerWaalsContact OE1-CE2 3.26Å
82	V	24.9	Very low	25.9	Very low	104 Å²	104	136.7 Å²	136.7	63%	0.63	74%	0.741	S	S	*	*			cis	81.7	90.8	6.9	-166.2	0	0	0	0	117.9
83	L	24.3	Very low	26	Very low	157 Å²	157	138.7 Å²	138.7	82%	0.822	75%	0.747	S	S	*	*			trans	-168.2	155.7	134.6	-122.3	112.4	0	0	0	110.6
84	P	37.2	Very low	26.4	Very low	106 Å²	106	140.5 Å²	140.5	69%	0.688	75%	0.749	S	S	*	*	P	Polyproline II helix	cis	-101	156.5	-11.5	2	20.5	0	0	0	113.8
85	H	24.6	Very low	26.7	Very low	146 Å²	146	139.4 Å²	139.4	68%	0.676	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-94.1	153.1	148.8	-71.6	-23.3	0	0	0	109.2	N87	H85-N87 HydrophobicContact CB-CB 4.08Å
86	F	24.2	Very low	27.2	Very low	222 Å²	222	139.8 Å²	139.8	97%	0.974	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-100.9	121.3	132.3	-93.5	-82.1	0	0	0	107.3
87	N	26.1	Very low	28.1	Very low	112 Å²	112	140 Å²	140	60%	0.599	73%	0.734	S	S	*	*			trans	-146.4	126.9	176.9	-160.2	9.4	0	0	0	107.7	H85 T89	H85-N87 HydrophobicContact CB-CB 4.08Å; N87-T89 PolarHBondContact OD1-OG1 2.86Å
88	N	24	Very low	28.8	Very low	168 Å²	168	134.9 Å²	134.9	90%	0.898	71%	0.712	S	S	*	*			trans	-149.7	137	157.8	-134.6	-15.1	0	0	0	108.7
89	T	27.1	Very low	29.7	Very low	100 Å²	100	134.6 Å²	134.6	61%	0.613	71%	0.71	S	S	*	*			trans	-126.8	135.2	-144	-45.7	0	0	0	0	111.5	N87	N87-T89 PolarHBondContact OD1-OG1 2.86Å
90	L	27.1	Very low	30.7	Very low	162 Å²	162	134.7 Å²	134.7	85%	0.848	71%	0.708	S	S	*	*			trans	-140.6	105.5	156.5	-157.7	69.6	0	0	0	111.4
91	H	28	Very low	31.8	Very low	171 Å²	171	133.4 Å²	133.4	79%	0.792	69%	0.692	S	S	*	*			trans	22.3	101.8	164.9	-72.7	-84.2	0	0	0	118.5	L93	H91-L93 PolarHBondContact O-N 2.9Å
92	G	29.3	Very low	33.1	Very low	80 Å²	80	128.7 Å²	128.7	83%	0.825	67%	0.674	S	S	*	*			trans	-68.7	122.2	163.9	0	0	0	0	0	112.2
93	L	27.3	Very low	34.7	Very low	159 Å²	159	125 Å²	125	83%	0.832	65%	0.653	S	S	*	*			trans	-80.3	149.4	137	-97.9	74.3	0	0	0	108.1	H91 Q95	H91-L93 PolarHBondContact O-N 2.9Å; L93-Q95 PolarHBondContact O-N 2.95Å
94	K	33.1	Very low	36.7	Very low	176 Å²	176	122.1 Å²	122.1	77%	0.765	63%	0.634	S	S	*	*			trans	-72.3	81.9	165.7	-174.9	-151.8	177.9	-145.7	0	108.2	E96	K94-E96 VanDerWaalsContact C-N 3.26Å; K94-E96 IonicContact NZ-OE2 2.69Å; K94-E96 PolarHBondContact NZ-OE2 3.39Å; K94-E96 PolarHBondContact O-N 3.37Å
95	Q	30.5	Very low	38.2	Very low	141 Å²	141	119.8 Å²	119.8	66%	0.659	62%	0.618	S	S	*	*			trans	-73.2	86	174.4	-172.4	166.9	-5.7	0	0	109.6	L93 M97 E101	L93-Q95 PolarHBondContact O-N 2.95Å; Q95-M97 PolarHBondContact O-N 3.47Å; Q95-E101 PolarHBondContact NE2-OE2 3.16Å
96	E	33.6	Very low	40.1	Very low	153 Å²	153	112.9 Å²	112.9	72%	0.715	59%	0.586	S	S	*	*			trans	-65.1	91.4	156.8	-170.7	164.1	159.8	0	0	106.9	K94 D98	K94-E96 VanDerWaalsContact C-N 3.26Å; K94-E96 IonicContact NZ-OE2 2.69Å; K94-E96 PolarHBondContact NZ-OE2 3.39Å; K94-E96 PolarHBondContact O-N 3.37Å; E96-D98 PolarHBondContact O-N 3.2Å; E96-D98 VanDerWaalsContact O-N 3.16Å
97	M	42.7	Very low	42.2	Very low	96 Å²	96	102.3 Å²	102.3	47%	0.473	54%	0.539	S	S	.	.			trans	-65.7	113.7	-175.5	-161	168.5	74.5	0	0	108.5	Q95 S99 E101 L102	Q95-M97 PolarHBondContact O-N 3.47Å; M97-S99 PolarHBondContact O-N 2.97Å; M97-E101 HydrophobicContact CG-CB 4.1Å; M97-E101 HydrophobicContact CG-CG 4Å; M97-E101 VanDerWaalsContact CG-OE2 3.3Å; M97-E101 WeakPolarHBondContact CG-OE2 2.9Å; M97-E101 HydrophobicContact SD-CG 4.42Å; M97-L102 HydrophobicContact CE-CB 4.19Å; M97-L102 HydrophobicContact CE-CD1 3.62Å; M97-L102 HydrophobicContact CE-CG 4.49Å
98	D	42	Very low	44.3	Very low	73 Å²	73	101.9 Å²	101.9	39%	0.39	53%	0.534	S	S	.	.			trans	-53.6	136	-174.7	-173.8	-23.5	0	0	0	109.5	E96 K100 E101 L102	E96-D98 PolarHBondContact O-N 3.2Å; E96-D98 VanDerWaalsContact O-N 3.16Å; D98-K100 PolarHBondContact O-N 3.14Å; D98-K100 WeakPolarHBondContact OD1-CB 3.41Å; D98-K100 WeakPolarHBondContact OD1-CG 3.37Å; D98-K100 PolarHBondContact OD1-N 3.46Å; D98-K100 IonicContact OD1-NZ 3.91Å; D98-K100 PolarHBondContact OD1-NZ 3.24Å; D98-K100 IonicContact OD2-NZ 3.98Å; D98-K100 PolarHBondContact OD2-NZ 3.29Å; D98-E101 WeakPolarHBondContact O-CA 3.47Å; D98-E101 WeakPolarHBondContact O-CB 3.47Å; D98-E101 PolarHBondContact O-N 3.43Å; D98-L102 PolarHBondContact O-N 2.98Å
99	S	43.9	Very low	46.2	Very low	90 Å²	90	95.8 Å²	95.8	63%	0.629	50%	0.504	S	S	*	.	H	α-helix	trans	-53.5	-24.2	175.6	-50.4	0	0	0	0	112.2	M97 S103	M97-S99 PolarHBondContact O-N 2.97Å; S99-S103 WeakPolarHBondContact O-CB 3.3Å; S99-S103 PolarHBondContact O-N 3.09Å; S99-S103 PolarHBondContact O-OG 3.15Å
100	K	45.6	Very low	48	Very low	144 Å²	144	91.4 Å²	91.4	63%	0.626	48%	0.477	S	S	*	.	H	α-helix	trans	-66.9	-36.7	170.5	-62.5	175.8	-146	70	0	113.6	D98 K104	D98-K100 PolarHBondContact O-N 3.14Å; D98-K100 WeakPolarHBondContact OD1-CB 3.41Å; D98-K100 WeakPolarHBondContact OD1-CG 3.37Å; D98-K100 PolarHBondContact OD1-N 3.46Å; D98-K100 IonicContact OD1-NZ 3.91Å; D98-K100 PolarHBondContact OD1-NZ 3.24Å; D98-K100 IonicContact OD2-NZ 3.98Å; D98-K100 PolarHBondContact OD2-NZ 3.29Å; K100-K104 WeakPolarHBondContact O-CB 3.42Å; K100-K104 PolarHBondContact O-N 2.91Å
101	E	51.1	Low	49.8	Very low	87 Å²	87	84.9 Å²	84.9	41%	0.407	45%	0.449	S	S	.	.	H	α-helix	trans	-71.8	-44.9	178.2	-174.4	160.6	-134.8	0	0	110.4	Q95 M97 D98 K104 T105	Q95-E101 PolarHBondContact NE2-OE2 3.16Å; M97-E101 HydrophobicContact CG-CB 4.1Å; M97-E101 HydrophobicContact CG-CG 4Å; M97-E101 VanDerWaalsContact CG-OE2 3.3Å; M97-E101 WeakPolarHBondContact CG-OE2 2.9Å; M97-E101 HydrophobicContact SD-CG 4.42Å; D98-E101 WeakPolarHBondContact O-CA 3.47Å; D98-E101 WeakPolarHBondContact O-CB 3.47Å; D98-E101 PolarHBondContact O-N 3.43Å; E101-K104 WeakPolarHBondContact O-CB 2.93Å; E101-K104 PolarHBondContact O-N 2.95Å; E101-T105 PolarHBondContact O-N 3.23Å; E101-T105 PolarHBondContact O-OG1 3.08Å
102	L	49.3	Very low	51.9	Low	56 Å²	56	77.5 Å²	77.5	29%	0.293	42%	0.415	S	S	.	.	H	α-helix	trans	-62.5	-44.5	171.9	-167.3	71.5	0	0	0	111.7	M97 D98 K104 T105 V106 D975	M97-L102 HydrophobicContact CE-CB 4.19Å; M97-L102 HydrophobicContact CE-CD1 3.62Å; M97-L102 HydrophobicContact CE-CG 4.49Å; D98-L102 PolarHBondContact O-N 2.98Å; L102-K104 VanDerWaalsContact C-N 3.25Å; L102-K104 PolarHBondContact O-N 2.97Å; L102-T105 PolarHBondContact O-N 2.99Å; L102-V106 WeakPolarHBondContact O-CG2 3.19Å; L102-V106 PolarHBondContact O-N 3.39Å; L102-D975 HydrophobicContact CD2-CB 4.05Å; L102-D975 WeakPolarHBondContact CD2-OD1 3.37Å
103	S	58.4	Low	53.3	Low	27 Å²	27	79 Å²	79	19%	0.189	40%	0.396	C	S	.	.	H	α-helix	trans	-62.4	-32.2	174.8	-61.3	0	0	0	0	112.5	S99 A107	S99-S103 WeakPolarHBondContact O-CB 3.3Å; S99-S103 PolarHBondContact O-N 3.09Å; S99-S103 PolarHBondContact O-OG 3.15Å; S103-A107 VanDerWaalsContact O-CB 3.3Å; S103-A107 WeakPolarHBondContact O-CB 3.49Å; S103-A107 PolarHBondContact O-N 3.04Å
104	K	66	Low	54.5	Low	96 Å²	96	78.8 Å²	78.8	42%	0.417	39%	0.393	S	S	.	.	H	α-helix	trans	-69.2	-45.9	174.6	179.6	-161.2	162.4	-156.2	0	110.7	K100 E101 L102 V106 A107 E108 Y113	K100-K104 WeakPolarHBondContact O-CB 3.42Å; K100-K104 PolarHBondContact O-N 2.91Å; E101-K104 WeakPolarHBondContact O-CB 2.93Å; E101-K104 PolarHBondContact O-N 2.95Å; L102-K104 VanDerWaalsContact C-N 3.25Å; L102-K104 PolarHBondContact O-N 2.97Å; K104-V106 PolarHBondContact O-N 2.94Å; K104-A107 CarbonylContact O-C 3.59Å; K104-A107 WeakPolarHBondContact O-CA 3.44Å; K104-A107 WeakPolarHBondContact O-CB 3.45Å; K104-A107 PolarHBondContact O-N 2.86Å; K104-A107 VanDerWaalsContact O-N 3.09Å; K104-E108 WeakPolarHBondContact CE-OE1 3.35Å; K104-E108 WeakPolarHBondContact CE-OE2 3.42Å; K104-E108 HydrophobicContact CG-CG 4.46Å; K104-E108 IonicContact NZ-OE1 3.52Å; K104-E108 IonicContact NZ-OE2 3.57Å; K104-E108 WeakPolarHBondContact O-CB 3.31Å; K104-E108 WeakPolarHBondContact O-CG 2.99Å; K104-E108 PolarHBondContact O-N 2.91Å; K104-Y113 HydrophobicContact CG-CE2 4.4Å
105	T	68.5	Low	55.1	Low	57 Å²	57	75.1 Å²	75.1	35%	0.35	38%	0.382	S	S	.	.	H	α-helix	trans	-58.1	-48.9	175.7	-54.1	0	0	0	0	110.8	E101 L102 A107 E108 S109	E101-T105 PolarHBondContact O-N 3.23Å; E101-T105 PolarHBondContact O-OG1 3.08Å; L102-T105 PolarHBondContact O-N 2.99Å; T105-A107 VanDerWaalsContact C-N 3.29Å; T105-A107 PolarHBondContact O-N 2.98Å; T105-E108 PolarHBondContact O-N 3.36Å; T105-S109 PolarHBondContact O-N 3.31Å
106	V	64.3	Low	55.5	Low	1 Å²	1	72.4 Å²	72.4	1%	0.006	38%	0.384	C	S	.	.	H	α-helix	trans	-56.3	-42.5	173.2	171.2	0	0	0	0	111.4	L102 K104 E108 S109 M110 I808 Q812 E971 I972	L102-V106 WeakPolarHBondContact O-CG2 3.19Å; L102-V106 PolarHBondContact O-N 3.39Å; K104-V106 PolarHBondContact O-N 2.94Å; V106-E108 VanDerWaalsContact C-N 3.35Å; V106-E108 PolarHBondContact O-N 3.37Å; V106-S109 PolarHBondContact O-OG 3.17Å; V106-S109 VanDerWaalsContact O-OG 3.11Å; V106-M110 HydrophobicContact CG1-CG 4.38Å; V106-M110 HydrophobicContact CG1-SD 3.44Å; V106-M110 WeakPolarHBondContact CG1-SD 3.48Å; V106-M110 WeakPolarHBondContact O-CB 3.1Å; V106-M110 WeakPolarHBondContact O-CG 3.37Å; V106-M110 PolarHBondContact O-N 3.1Å; V106-I808 HydrophobicContact CB-CG2 4.5Å; V106-I808 HydrophobicContact CG1-CG2 3.63Å; V106-Q812 HydrophobicContact CG1-CG 4.3Å; V106-E971 WeakPolarHBondContact CA-OE2 3.48Å; V106-E971 HydrophobicContact CG2-CB 4.13Å; V106-I972 HydrophobicContact CG1-CG1 4.46Å
107	A	67.8	Low	55.6	Low	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-65.2	-36	175.7	0	0	0	0	0	113.2	S103 K104 T105 M110 G111 L112 Y113 I808	S103-A107 VanDerWaalsContact O-CB 3.3Å; S103-A107 WeakPolarHBondContact O-CB 3.49Å; S103-A107 PolarHBondContact O-N 3.04Å; K104-A107 CarbonylContact O-C 3.59Å; K104-A107 WeakPolarHBondContact O-CA 3.44Å; K104-A107 WeakPolarHBondContact O-CB 3.45Å; K104-A107 PolarHBondContact O-N 2.86Å; K104-A107 VanDerWaalsContact O-N 3.09Å; T105-A107 VanDerWaalsContact C-N 3.29Å; T105-A107 PolarHBondContact O-N 2.98Å; A107-M110 CarbonylContact O-C 3.19Å; A107-G111 CarbonylContact O-C 3.58Å; A107-G111 PolarHBondContact O-N 3.08Å; A107-L112 HydrophobicContact CB-CB 4.31Å; A107-L112 WeakPolarHBondContact O-CB 3.35Å; A107-L112 PolarHBondContact O-N 2.8Å; A107-Y113 HydrophobicContact CB-CD2 3.62Å; A107-Y113 HydrophobicContact CB-CE2 3.39Å; A107-I808 HydrophobicContact CB-CD1 3.54Å; A107-I808 HydrophobicContact CB-CG1 4.21Å
108	E	71.6	Confident	55.6	Low	103 Å²	103	74.8 Å²	74.8	48%	0.481	40%	0.399	S	S	.	.	H	α-helix	trans	-75.4	-41.2	-179.1	-74.6	178.1	164.3	0	0	111.3	K104 T105 V106 G111 Y113	K104-E108 WeakPolarHBondContact CE-OE1 3.35Å; K104-E108 WeakPolarHBondContact CE-OE2 3.42Å; K104-E108 HydrophobicContact CG-CG 4.46Å; K104-E108 IonicContact NZ-OE1 3.52Å; K104-E108 IonicContact NZ-OE2 3.57Å; K104-E108 WeakPolarHBondContact O-CB 3.31Å; K104-E108 WeakPolarHBondContact O-CG 2.99Å; K104-E108 PolarHBondContact O-N 2.91Å; T105-E108 PolarHBondContact O-N 3.36Å; V106-E108 VanDerWaalsContact C-N 3.35Å; V106-E108 PolarHBondContact O-N 3.37Å; E108-G111 VanDerWaalsContact O-CA 3.29Å; E108-G111 WeakPolarHBondContact O-CA 3.17Å; E108-G111 PolarHBondContact O-N 2.96Å; E108-Y113 HydrophobicContact CG-CD2 4.19Å
109	S	64	Low	55.3	Low	40 Å²	40	80.3 Å²	80.3	28%	0.28	42%	0.423	S	S	.	.	H	α-helix	trans	-65.1	-42.1	171.9	74.3	0	0	0	0	111.3	T105 V106 G111 M968 E971	T105-S109 PolarHBondContact O-N 3.31Å; V106-S109 PolarHBondContact O-OG 3.17Å; V106-S109 VanDerWaalsContact O-OG 3.11Å; S109-G111 PolarHBondContact O-N 3.1Å; S109-G111 VanDerWaalsContact O-N 3.16Å; S109-M968 WeakPolarHBondContact O-CE 3.47Å; S109-E971 WeakPolarHBondContact CB-OE2 3.23Å; S109-E971 PolarHBondContact OG-OE2 2.97Å
110	M	64.8	Low	54.8	Low	8 Å²	8	79.7 Å²	79.7	4%	0.039	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-5.5	168.5	-67.5	171.5	75.8	0	0	112.8	V106 A107 L112 V790 K794 I808 I811 I972	V106-M110 HydrophobicContact CG1-CG 4.38Å; V106-M110 HydrophobicContact CG1-SD 3.44Å; V106-M110 WeakPolarHBondContact CG1-SD 3.48Å; V106-M110 WeakPolarHBondContact O-CB 3.1Å; V106-M110 WeakPolarHBondContact O-CG 3.37Å; V106-M110 PolarHBondContact O-N 3.1Å; A107-M110 CarbonylContact O-C 3.19Å; M110-L112 HydrophobicContact CB-CD1 3.83Å; M110-L112 HydrophobicContact CB-CG 4.18Å; M110-L112 HydrophobicContact CE-CD1 3.85Å; M110-L112 PolarHBondContact O-N 3.24Å; M110-L112 HydrophobicContact SD-CD1 4.16Å; M110-V790 HydrophobicContact CB-CG1 4.13Å; M110-V790 HydrophobicContact CB-CG2 4.18Å; M110-V790 HydrophobicContact CE-CG1 4.43Å; M110-V790 HydrophobicContact CE-CG2 3.62Å; M110-V790 HydrophobicContact CG-CG2 4.05Å; M110-V790 VanDerWaalsContact O-CG1 3.27Å; M110-V790 WeakPolarHBondContact O-CG1 3.49Å; M110-K794 PolarHBondContact O-NZ 3.45Å; M110-I808 HydrophobicContact SD-CG2 4.34Å; M110-I811 HydrophobicContact CE-CB 3.65Å; M110-I811 HydrophobicContact CE-CD1 3.68Å; M110-I811 HydrophobicContact CE-CG1 4.27Å; M110-I811 HydrophobicContact CE-CG2 3.65Å; M110-I972 HydrophobicContact CG-CD1 4.42Å; M110-I972 HydrophobicContact SD-CD1 4.39Å
111	G	65.1	Low	54.1	Low	25 Å²	25	79.5 Å²	79.5	26%	0.258	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	29.1	178.5	0	0	0	0	0	114.3	A107 E108 S109 K794	A107-G111 CarbonylContact O-C 3.58Å; A107-G111 PolarHBondContact O-N 3.08Å; E108-G111 VanDerWaalsContact O-CA 3.29Å; E108-G111 WeakPolarHBondContact O-CA 3.17Å; E108-G111 PolarHBondContact O-N 2.96Å; S109-G111 PolarHBondContact O-N 3.1Å; S109-G111 VanDerWaalsContact O-N 3.16Å; G111-K794 PolarHBondContact O-NZ 3.49Å
112	L	70.9	Confident	53.2	Low	15 Å²	15	85.8 Å²	85.8	8%	0.079	46%	0.455	C	S	.	.			trans	-71.9	-31.9	-174.3	-86.3	159	0	0	0	113.2	A107 M110 V790 K794 I804 I808	A107-L112 HydrophobicContact CB-CB 4.31Å; A107-L112 WeakPolarHBondContact O-CB 3.35Å; A107-L112 PolarHBondContact O-N 2.8Å; M110-L112 HydrophobicContact CB-CD1 3.83Å; M110-L112 HydrophobicContact CB-CG 4.18Å; M110-L112 HydrophobicContact CE-CD1 3.85Å; M110-L112 PolarHBondContact O-N 3.24Å; M110-L112 HydrophobicContact SD-CD1 4.16Å; L112-V790 HydrophobicContact CG-CG1 4.32Å; L112-K794 HydrophobicContact CD2-CD 4.28Å; L112-K794 HydrophobicContact CD2-CG 3.98Å; L112-I804 HydrophobicContact CB-CD1 4.12Å; L112-I804 HydrophobicContact CD2-CD1 4.07Å; L112-I808 HydrophobicContact CD1-CG1 3.53Å
113	Y	59.5	Low	52.1	Low	111 Å²	111	87.4 Å²	87.4	44%	0.435	48%	0.476	S	S	.	.	S	Bend	trans	-79.8	-15.3	-179	-78.6	-67.3	0	0	0	115.8	K104 A107 E108 N115 I804	K104-Y113 HydrophobicContact CG-CE2 4.4Å; A107-Y113 HydrophobicContact CB-CD2 3.62Å; A107-Y113 HydrophobicContact CB-CE2 3.39Å; E108-Y113 HydrophobicContact CG-CD2 4.19Å; Y113-N115 PolarHBondContact O-N 3.44Å; Y113-I804 HydrophobicContact CE1-CG1 4.39Å
114	M	53	Low	50.7	Low	156 Å²	156	96.3 Å²	96.3	77%	0.768	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	18.2	-165.9	-81.6	-67.5	-168.6	0	0	117.4
115	N	44	Very low	48.8	Very low	98 Å²	98	97.4 Å²	97.4	52%	0.524	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-8.5	179.3	-75.2	-40.6	0	0	0	115.2	Y113	Y113-N115 PolarHBondContact O-N 3.44Å
116	A	39.3	Very low	46.9	Very low	84 Å²	84	102.4 Å²	102.4	69%	0.694	55%	0.551	S	S	*	*	S	Bend	trans	-77	-29.9	179.5	0	0	0	0	0	113.6	R118	A116-R118 VanDerWaalsContact C-N 3.33Å; A116-R118 PolarHBondContact O-N 3.38Å
117	A	35.8	Very low	45.3	Very low	87 Å²	87	110.9 Å²	110.9	72%	0.719	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	23.2	-167	0	0	0	0	0	115.6
118	R	42.2	Very low	43.4	Very low	213 Å²	213	114.7 Å²	114.7	80%	0.804	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.2	0.9	178.3	-95.9	-168.3	-66.4	174.2	-0.3	116.2	A116	A116-R118 VanDerWaalsContact C-N 3.33Å; A116-R118 PolarHBondContact O-N 3.38Å
119	E	35.4	Very low	41.3	Very low	189 Å²	189	113.2 Å²	113.2	88%	0.883	64%	0.641	S	S	*	*	S	Bend	trans	-117.8	11	176.9	-62.8	-172.7	151.7	0	0	112.8
120	A	33.4	Very low	39.6	Very low	76 Å²	76	118.9 Å²	118.9	63%	0.628	67%	0.669	S	S	*	*	S	Bend	trans	-97.5	-25.8	-174.9	0	0	0	0	0	115.2
121	D	31.8	Very low	37.7	Very low	140 Å²	140	124.6 Å²	124.6	75%	0.749	71%	0.71	S	S	*	*	S	Bend	trans	-108.8	43.6	-165.7	-71.4	-60.7	0	0	0	114.8
122	F	31.6	Very low	36	Very low	220 Å²	220	128.6 Å²	128.6	97%	0.965	73%	0.734	S	S	*	*			trans	-143.6	65	168.7	-95.3	-68.2	0	0	0	113.9
123	A	27.8	Very low	34.9	Very low	89 Å²	89	133.9 Å²	133.9	74%	0.736	77%	0.769	S	S	*	*			trans	-146.6	133.5	161.8	0	0	0	0	0	111.9
124	F	27.2	Very low	33.3	Very low	215 Å²	215	132.3 Å²	132.3	94%	0.943	79%	0.786	S	S	*	*			trans	57	94.9	170.5	-85.2	-93.2	0	0	0	118.9
125	S	27.1	Very low	32.1	Very low	119 Å²	119	134.9 Å²	134.9	83%	0.832	79%	0.793	S	S	*	*				-155.6	142.5	108.7	50.5	0	0	0	0	111.1
126	H	28.7	Very low	31.9	Very low	162 Å²	162	135.8 Å²	135.8	75%	0.75	81%	0.805	S	S	*	*			trans	-145.7	131.1	173.8	-135.4	-79.4	0	0	0	107.6
127	H	30.4	Very low	31.2	Very low	179 Å²	179	142.1 Å²	142.1	83%	0.829	81%	0.812	S	S	*	*			trans	65.6	130	-168.9	-42.4	-82.6	0	0	0	114.4
128	G	26.9	Very low	31.8	Very low	80 Å²	80	143.2 Å²	143.2	83%	0.825	81%	0.812	S	S	*	*			cis	158.8	153.5	-11.3	0	0	0	0	0	112.9
129	G	27.5	Very low	31.1	Very low	71 Å²	71	139.4 Å²	139.4	73%	0.732	81%	0.812	S	S	*	*			trans	105.6	106.5	160.8	0	0	0	0	0	118
130	N	28.3	Very low	30.6	Very low	160 Å²	160	136.7 Å²	136.7	86%	0.856	81%	0.812	S	S	*	*			trans	66.2	139.8	142.1	-67.1	1.7	0	0	0	123.6
131	S	26.6	Very low	30.4	Very low	128 Å²	128	136.6 Å²	136.6	90%	0.895	82%	0.818	S	S	*	*			trans	84.5	158.4	149.1	76.6	0	0	0	0	119.6
132	S	27.7	Very low	30.2	Very low	109 Å²	109	141.8 Å²	141.8	76%	0.762	83%	0.828	S	S	*	*			trans	-165.2	169.3	-158.7	-178.9	0	0	0	0	107.7
133	P	48.7	Very low	29.9	Very low	126 Å²	126	136.2 Å²	136.2	82%	0.818	82%	0.816	S	S	*	*			cis	-120.4	174	-47.8	35.4	-22.7	0	0	0	111.8
134	G	26.2	Very low	29.9	Very low	78 Å²	78	139.9 Å²	139.9	80%	0.804	82%	0.822	S	S	*	*			trans	-161.8	116.4	173.2	0	0	0	0	0	116.2
135	K	28.3	Very low	30	Very low	209 Å²	209	137.2 Å²	137.2	91%	0.909	81%	0.813	S	S	*	*			trans	-104.7	167.8	157.8	-69.8	-177.7	178.4	179.1	0	107.4
136	P	38.6	Very low	29.9	Very low	118 Å²	118	141 Å²	141	77%	0.766	82%	0.817	S	S	*	*			cis	-141.1	-170	17.3	41.4	-20.3	0	0	0	117.2
137	Y	24.3	Very low	29.9	Very low	217 Å²	217	139.6 Å²	139.6	85%	0.851	82%	0.815	S	S	*	*			trans	-44.8	178.3	157.7	-73.9	-85.6	0	0	0	115.7
138	P	48.1	Very low	29.8	Very low	110 Å²	110	140.4 Å²	140.4	71%	0.714	82%	0.819	S	S	*	*			cis	-147.7	170.7	20.1	36.9	-13	0	0	0	121.1
139	V	28.1	Very low	29.6	Very low	132 Å²	132	141.5 Å²	141.5	80%	0.8	81%	0.814	S	S	*	*			trans	55.1	122.2	137.9	170.6	0	0	0	0	122.2
140	C	25.2	Very low	29.5	Very low	133 Å²	133	142.9 Å²	142.9	90%	0.899	81%	0.811	S	S	*	*				165.7	165.4	104.3	-153.9	0	0	0	0	113.4
141	G	28.6	Very low	29.4	Very low	73 Å²	73	141.4 Å²	141.4	75%	0.753	81%	0.813	S	S	*	*			trans	131.1	115.6	157.1	0	0	0	0	0	117
142	R	29.3	Very low	29.5	Very low	250 Å²	250	143.7 Å²	143.7	94%	0.943	81%	0.807	S	S	*	*			trans	-90.1	144.1	-179.6	-78.3	179	167.1	-165.7	-3	114.4
143	S	24.7	Very low	29.4	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	81%	0.81	S	S	*	*			trans	5.3	134.1	133.6	-174.3	0	0	0	0	120.4
144	L	28.1	Very low	28.6	Very low	166 Å²	166	146.6 Å²	146.6	87%	0.869	81%	0.806	S	S	*	*				-153.6	157.5	112.8	-158.2	63.7	0	0	0	111.4
145	E	28.2	Very low	29.5	Very low	159 Å²	159	148.4 Å²	148.4	74%	0.743	80%	0.803	S	S	*	*			trans	-79.9	161.3	171.2	-59.2	169	91.4	0	0	112.5
146	E	25.3	Very low	29.6	Very low	197 Å²	197	148.1 Å²	148.1	92%	0.921	80%	0.802	S	S	*	*			trans	-142.8	154.5	141.8	-157.2	162.1	-150.2	0	0	112.1
147	N	29.3	Very low	29	Very low	133 Å²	133	150 Å²	150	71%	0.711	81%	0.805	S	S	*	*			trans	-93.3	160.1	-171.5	-79.3	-99.6	0	0	0	112
148	Q	27.3	Very low	29.3	Very low	196 Å²	196	148.6 Å²	148.6	92%	0.916	80%	0.803	S	S	*	*				173.1	-179.9	97.4	-154	150.9	99.8	0	0	111.8
149	C	22.9	Very low	29.4	Very low	104 Å²	104	148 Å²	148	70%	0.703	80%	0.8	S	S	*	*			trans	-146.3	140.2	-149.5	175.8	0	0	0	0	113.9
150	C	24.9	Very low	29.3	Very low	100 Å²	100	151.7 Å²	151.7	68%	0.676	81%	0.805	S	S	*	*			trans	53.3	142.7	156.9	-78.2	0	0	0	0	122
151	S	27.2	Very low	29.3	Very low	128 Å²	128	148.2 Å²	148.2	90%	0.895	79%	0.792	S	S	*	*			trans	-149.9	162.5	135.2	-90.2	0	0	0	0	111.7
152	K	28.5	Very low	29.2	Very low	176 Å²	176	154.3 Å²	154.3	77%	0.765	80%	0.798	S	S	*	*			trans	-134.3	172.6	-164.1	-59.3	-179.5	178.8	-178.7	0	112.1
153	K	26.1	Very low	29.2	Very low	194 Å²	194	150.7 Å²	150.7	84%	0.843	79%	0.792	S	S	*	*			trans	94	132.3	171.8	-53.2	156.1	-175.4	176.8	0	113.6
154	S	31.8	Very low	29.5	Very low	103 Å²	103	153.9 Å²	153.9	72%	0.72	80%	0.795	S	S	*	*			cis	85	146.6	26.3	81.7	0	0	0	0	115.6
155	P	44.1	Very low	30.2	Very low	116 Å²	116	152 Å²	152	75%	0.753	79%	0.793	S	S	*	*			cis	-142.9	172.9	-17.7	39.8	-20.5	0	0	0	117.6
156	K	30.5	Very low	30	Very low	202 Å²	202	147.4 Å²	147.4	88%	0.878	79%	0.788	S	S	*	*			trans	33.8	132.3	154.3	-71.8	-175.9	175.3	178.8	0	123.9
157	L	27.4	Very low	30	Very low	158 Å²	158	143 Å²	143	83%	0.827	79%	0.785	S	S	*	*			trans	173.1	136.2	138.6	-88.4	157.5	0	0	0	108.2
158	K	29.3	Very low	29.9	Very low	188 Å²	188	143 Å²	143	82%	0.817	79%	0.79	S	S	*	*				64.7	155.9	67.9	-82.3	-166.1	178.3	-175.2	0	115.7
159	P	49.8	Very low	30.5	Very low	98 Å²	98	138.4 Å²	138.4	64%	0.636	78%	0.778	S	S	*	*			cis	-134.3	-163.9	-19.8	41.9	-23.9	0	0	0	113.1
160	F	26.6	Very low	30.6	Very low	209 Å²	209	143 Å²	143	92%	0.917	78%	0.78	S	S	*	*			trans	158.2	167.3	132.6	-95.1	-68.7	0	0	0	114.6
161	G	25.8	Very low	30.6	Very low	60 Å²	60	145 Å²	145	62%	0.619	78%	0.779	S	S	*	*			trans	171.4	154.4	166.4	0	0	0	0	0	113.2
162	F	27.3	Very low	30.3	Very low	201 Å²	201	143.7 Å²	143.7	88%	0.882	77%	0.769	S	S	*	*			trans	-167.6	150	165.1	-123	-79.4	0	0	0	114.1
163	Q	27.8	Very low	30.2	Very low	174 Å²	174	141.6 Å²	141.6	81%	0.813	77%	0.771	S	S	*	*			trans	85.1	132.9	148	-136.8	152.1	5.4	0	0	123.6
164	Q	30.6	Very low	30.4	Very low	169 Å²	169	138.7 Å²	138.7	79%	0.79	77%	0.77	S	S	*	*			trans	-40.1	177.9	170.6	-87.1	-175.8	-4.9	0	0	119.9
165	P	43	Very low	30.4	Very low	128 Å²	128	136.5 Å²	136.5	83%	0.831	76%	0.764	S	S	*	*			cis	-125.3	173.8	12.5	40.9	-26.1	0	0	0	115.7
166	G	24.7	Very low	29.5	Very low	62 Å²	62	137.1 Å²	137.1	64%	0.639	77%	0.766	S	S	*	*			cis	171	-162.3	-2.3	0	0	0	0	0	112.3
167	A	25.9	Very low	29.5	Very low	103 Å²	103	134 Å²	134	85%	0.851	76%	0.763	S	S	*	*			trans	64.3	95.5	171.6	0	0	0	0	0	118.7
168	T	27.2	Very low	29.5	Very low	133 Å²	133	131.9 Å²	131.9	82%	0.816	76%	0.757	S	S	*	*			trans	-57.5	172.6	138.2	51.8	0	0	0	0	110.2
169	P	38.4	Very low	29.5	Very low	101 Å²	101	128.7 Å²	128.7	66%	0.656	76%	0.758	S	S	*	*			cis	-156	173.8	29.1	46.3	-25	0	0	0	121.2
170	R	25.3	Very low	28.5	Very low	200 Å²	200	129.4 Å²	129.4	76%	0.755	77%	0.765	S	S	*	*			trans	78.6	146.6	132.7	-87.8	162.4	105.3	121.4	10.5	123.2
171	E	24.5	Very low	28.5	Very low	141 Å²	141	123.9 Å²	123.9	66%	0.659	76%	0.758	S	S	*	*			trans	69.5	142.9	147.4	-74.2	155.9	-166.2	0	0	118.1
172	C	21.6	Very low	28.5	Very low	102 Å²	102	125.2 Å²	125.2	69%	0.689	76%	0.758	S	S	*	*			cis	155.1	162.2	-20	-101.9	0	0	0	0	105.6
173	T	26.7	Very low	28.5	Very low	131 Å²	131	122.8 Å²	122.8	80%	0.804	75%	0.751	S	S	*	*			trans	65.1	150.8	163.8	42.5	0	0	0	0	116
174	T	31.1	Very low	28.5	Very low	133 Å²	133	121.2 Å²	121.2	82%	0.816	75%	0.748	S	S	*	*			cis	-155.6	153.3	11.7	-14.9	0	0	0	0	111.7
175	G	29.8	Very low	28.2	Very low	58 Å²	58	119.3 Å²	119.3	60%	0.598	75%	0.748	S	S	*	*			trans	77.6	136.1	156.9	0	0	0	0	0	117.2
176	T	27.2	Very low	27.3	Very low	128 Å²	128	118.1 Å²	118.1	79%	0.785	74%	0.742	S	S	*	*			cis	60.5	138.3	9.8	2.5	0	0	0	0	113.5	V178	T176-V178 HydrophobicContact CG2-CG2 4.28Å
177	V	28.8	Very low	27.3	Very low	137 Å²	137	119.7 Å²	119.7	83%	0.83	74%	0.743	S	S	*	*			cis	-149.7	167.8	26.2	-179.9	0	0	0	0	109.4
178	V	29.1	Very low	27.2	Very low	114 Å²	114	122.3 Å²	122.3	69%	0.691	74%	0.742	S	S	*	*				-162.1	143.7	-56.4	157.1	0	0	0	0	104.6	T176	T176-V178 HydrophobicContact CG2-CG2 4.28Å
179	S	27.8	Very low	27	Very low	120 Å²	120	120.6 Å²	120.6	84%	0.839	74%	0.735	S	S	*	*			trans	-138.8	122	161.9	-87.9	0	0	0	0	114.8
180	S	28.8	Very low	26.2	Very low	113 Å²	113	121.1 Å²	121.1	79%	0.79	74%	0.74	S	S	*	*			trans	-51.5	164.5	164.2	19.8	0	0	0	0	115.3
181	A	26.4	Very low	26.1	Very low	93 Å²	93	117.1 Å²	117.1	77%	0.769	74%	0.743	S	S	*	*			cis	-157.5	168.5	-2	0	0	0	0	0	113
182	S	27.8	Very low	26.9	Very low	88 Å²	88	115.7 Å²	115.7	62%	0.615	75%	0.746	S	S	*	*			trans	-49.5	162.1	167.1	53.4	0	0	0	0	115.2
183	M	26.8	Very low	27.1	Very low	150 Å²	150	118.3 Å²	118.3	74%	0.739	75%	0.748	S	S	*	*				-168.7	139.7	72.1	-82.2	-59.5	-170.3	0	0	115.6
184	L	26.8	Very low	27.1	Very low	141 Å²	141	117.8 Å²	117.8	74%	0.738	75%	0.745	S	S	*	*			trans	66.1	120	130.7	-58.6	172.9	0	0	0	124.8
185	V	24.6	Very low	26.9	Very low	130 Å²	130	116.1 Å²	116.1	79%	0.788	74%	0.739	S	S	*	*				84.3	134.5	116.6	171.5	0	0	0	0	122.4
186	S	25.2	Very low	26.7	Very low	103 Å²	103	118.1 Å²	118.1	72%	0.72	74%	0.743	S	S	*	*			trans	-64.4	158.9	170.1	-38.4	0	0	0	0	113.7
187	S	24.2	Very low	26.6	Very low	95 Å²	95	117.4 Å²	117.4	66%	0.664	74%	0.743	S	S	*	*				157.7	173.5	70.9	49.1	0	0	0	0	109.8
188	L	24	Very low	26.4	Very low	158 Å²	158	118 Å²	118	83%	0.827	74%	0.74	S	S	*	*			trans	66.3	168.5	165.1	-55	159.9	0	0	0	115.4
189	S	22.5	Very low	26.4	Very low	96 Å²	96	117.5 Å²	117.5	67%	0.671	74%	0.741	S	S	*	*			cis	-162.8	153.1	-41.6	-92.4	0	0	0	0	110.9
190	C	20.8	Very low	26.7	Very low	112 Å²	112	117.3 Å²	117.3	76%	0.757	74%	0.74	S	S	*	*			trans	39.6	112.2	151.3	-58	0	0	0	0	122.8
191	S	23.9	Very low	27.3	Very low	116 Å²	116	118.4 Å²	118.4	81%	0.811	74%	0.744	S	S	*	*			trans	67.3	176.4	131.7	-54.5	0	0	0	0	118.5
192	P	41.7	Very low	27.4	Very low	112 Å²	112	117.7 Å²	117.7	73%	0.727	75%	0.745	S	S	*	*			cis	-119.5	-142.7	-6.8	31.7	-7.1	0	0	0	110.7
193	Q	25.8	Very low	27.5	Very low	157 Å²	157	117.5 Å²	117.5	73%	0.734	76%	0.757	S	S	*	*			cis	-162.5	155	-1	-147.7	-176.6	92.6	0	0	111
194	T	26	Very low	27.8	Very low	119 Å²	119	115.9 Å²	115.9	73%	0.73	76%	0.761	S	S	*	*			trans	60.5	155.2	163.7	63.9	0	0	0	0	119.7
195	S	26.1	Very low	28.3	Very low	98 Å²	98	115.6 Å²	115.6	69%	0.685	76%	0.76	S	S	*	*			cis	-165.5	156.2	-29.5	54.9	0	0	0	0	112.4
196	S	27	Very low	28.7	Very low	100 Å²	100	115.4 Å²	115.4	70%	0.699	76%	0.755	S	S	*	*			trans	59	106.1	148.9	61.3	0	0	0	0	123.6
197	C	25.1	Very low	29	Very low	114 Å²	114	117.9 Å²	117.9	77%	0.77	76%	0.757	S	S	*	*				64.1	124.8	113.4	-62.9	0	0	0	0	125.8
198	I	25.1	Very low	29.2	Very low	150 Å²	150	119.1 Å²	119.1	77%	0.769	76%	0.76	S	S	*	*				85.1	109	127.2	-63.8	170.6	0	0	0	122
199	S	27.5	Very low	29.5	Very low	103 Å²	103	117 Å²	117	72%	0.72	76%	0.759	S	S	*	*			trans	50	128	131.4	-48.9	0	0	0	0	126.8
200	S	34.9	Very low	30	Very low	116 Å²	116	118.2 Å²	118.2	81%	0.811	77%	0.767	S	S	*	*			trans	36.4	133.1	130.6	-51.8	0	0	0	0	123.5
201	P	42.2	Very low	30.8	Very low	136 Å²	136	119.1 Å²	119.1	88%	0.883	77%	0.769	S	S	*	*				-147	-177.3	101.6	39.5	-24.6	0	0	0	114.1
202	G	28.2	Very low	31	Very low	77 Å²	77	120.4 Å²	120.4	79%	0.794	77%	0.772	S	S	*	*			cis	153.6	110.3	-14.6	0	0	0	0	0	116.2
203	G	29.6	Very low	30.7	Very low	84 Å²	84	120.5 Å²	120.5	87%	0.866	78%	0.776	S	S	*	*			trans	86.7	168.8	168.2	0	0	0	0	0	117
204	S	33.6	Very low	32.2	Very low	117 Å²	117	118.1 Å²	118.1	82%	0.818	77%	0.774	S	S	*	*			cis	-171.7	-180	-15.2	66.9	0	0	0	0	107.7
205	N	36.3	Very low	32.3	Very low	135 Å²	135	119.3 Å²	119.3	72%	0.722	78%	0.781	S	S	*	*			cis	-164.1	-170.8	1.9	-157.7	-4.8	0	0	0	110.1
206	N	33.1	Very low	32.5	Very low	126 Å²	126	119.7 Å²	119.7	67%	0.674	78%	0.783	S	S	*	*			trans	79.3	143.4	155.6	-66.2	-11.3	0	0	0	119.9
207	M	31.7	Very low	32.5	Very low	155 Å²	155	125.4 Å²	125.4	76%	0.764	80%	0.795	S	S	*	*			cis	-159.9	145.3	-0.9	-128.7	-168	173.4	0	0	116.5
208	V	28.6	Very low	32.8	Very low	120 Å²	120	123.3 Å²	123.3	73%	0.727	79%	0.793	S	S	*	*			trans	61.5	152.3	135.7	158.9	0	0	0	0	123.9
209	S	30.4	Very low	34.7	Very low	114 Å²	114	122.1 Å²	122.1	80%	0.797	80%	0.795	S	S	*	*			trans	-136.4	172.1	-177.4	-44.4	0	0	0	0	112.2
210	S	33.4	Very low	34.8	Very low	121 Å²	121	125.5 Å²	125.5	85%	0.846	80%	0.804	S	S	*	*			trans	-159	171.7	168.2	-84	0	0	0	0	114.4
211	T	37	Very low	34.4	Very low	132 Å²	132	125.3 Å²	125.3	81%	0.81	80%	0.801	S	S	*	*			trans	-135.2	179.6	-157.3	53.3	0	0	0	0	114.6
212	T	28.9	Very low	33.7	Very low	142 Å²	142	124.2 Å²	124.2	87%	0.871	80%	0.797	S	S	*	*			trans	-165.9	146.6	151.1	2.6	0	0	0	0	115.3
213	S	34.3	Very low	33.6	Very low	114 Å²	114	126 Å²	126	80%	0.797	80%	0.797	S	S	*	*			trans	-162.5	-173.5	179.6	-45.8	0	0	0	0	109.4
214	P	57.9	Low	33.4	Very low	107 Å²	107	127.9 Å²	127.9	70%	0.695	79%	0.792	S	S	*	*			cis	-133.4	-158.9	-12.2	43.5	-25	0	0	0	113.3
215	T	27.8	Very low	32.9	Very low	145 Å²	145	127.6 Å²	127.6	89%	0.89	79%	0.79	S	S	*	*			trans	-161.5	162.5	154.3	3	0	0	0	0	113.9
216	C	29.3	Very low	33	Very low	105 Å²	105	126.5 Å²	126.5	71%	0.709	79%	0.793	S	S	*	*			trans	-147.4	170.4	-157.9	-48	0	0	0	0	114.9
217	F	28.2	Very low	33.7	Very low	220 Å²	220	126.9 Å²	126.9	97%	0.965	80%	0.802	S	S	*	*			trans	169.4	147.9	133.9	-100.3	-66.6	0	0	0	116.4
218	G	30.6	Very low	33.5	Very low	71 Å²	71	122.4 Å²	122.4	73%	0.732	80%	0.796	S	S	*	*			trans	105.6	115.4	142	0	0	0	0	0	122.4
219	P	65.8	Low	33.6	Very low	124 Å²	124	122 Å²	122	81%	0.805	80%	0.799	S	S	*	*			trans	-132.3	163.4	172	41.4	-28.1	0	0	0	116.9
220	L	29	Very low	33.6	Very low	175 Å²	175	124.9 Å²	124.9	92%	0.916	80%	0.799	S	S	*	*			trans	-163.5	-173.4	158.3	-140	74	0	0	0	114.6
221	C	26.4	Very low	33.2	Very low	111 Å²	111	125 Å²	125	75%	0.75	80%	0.795	S	S	*	*			trans	-125.7	156.4	-159.5	-51.9	0	0	0	0	116.2
222	S	28.3	Very low	32.7	Very low	113 Å²	113	125.7 Å²	125.7	79%	0.79	79%	0.793	S	S	*	*			trans	51.5	133.8	142.9	-54.1	0	0	0	0	124.3
223	S	25.9	Very low	32.6	Very low	114 Å²	114	124.3 Å²	124.3	80%	0.797	79%	0.788	S	S	*	*				115.8	158.1	124.5	79.9	0	0	0	0	122.2
224	V	24.4	Very low	32.3	Very low	124 Å²	124	123.8 Å²	123.8	75%	0.752	79%	0.791	S	S	*	*			trans	78.7	101.4	156.7	-177.9	0	0	0	0	121.8
225	S	24.9	Very low	30.8	Very low	112 Å²	112	122.5 Å²	122.5	78%	0.783	79%	0.789	S	S	*	*				55.5	145.1	121.9	-46.7	0	0	0	0	126.4
226	S	36.7	Very low	30.8	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	79%	0.785	S	S	*	*			trans	-63.8	171	161.2	-24.2	0	0	0	0	113.7
227	P	49	Very low	30.5	Very low	134 Å²	134	123.9 Å²	123.9	87%	0.87	79%	0.788	S	S	*	*				-154.5	-178.6	72.7	42.1	-22.4	0	0	0	117.2
228	G	27.1	Very low	30.5	Very low	61 Å²	61	117.1 Å²	117.1	63%	0.629	77%	0.773	S	S	*	*			trans	157	101.6	153.2	0	0	0	0	0	119.9
229	S	29.5	Very low	30.3	Very low	112 Å²	112	121 Å²	121	78%	0.783	78%	0.777	S	S	*	*			trans	60.5	150.6	146	43.7	0	0	0	0	121.9
230	Q	30.4	Very low	28.4	Very low	174 Å²	174	122.6 Å²	122.6	81%	0.813	78%	0.777	S	S	*	*			cis	-166.9	170.4	-13.9	-111.3	172.6	32	0	0	110.5
231	T	26.1	Very low	28.2	Very low	123 Å²	123	123 Å²	123	76%	0.755	77%	0.771	S	S	*	*			trans	74.7	159.1	161.3	-31.5	0	0	0	0	117.8
232	L	26.8	Very low	28.1	Very low	147 Å²	147	122.9 Å²	122.9	77%	0.77	77%	0.771	S	S	*	*				174.6	141.9	-65.9	-101.4	158.5	0	0	0	109.4
233	C	26.2	Very low	28	Very low	112 Å²	112	127.3 Å²	127.3	76%	0.757	77%	0.771	S	S	*	*			trans	71.3	111.6	154.3	-69	0	0	0	0	123.8
234	A	27.5	Very low	28.1	Very low	104 Å²	104	128 Å²	128	86%	0.86	77%	0.765	S	S	*	*				75.5	146.5	127.9	0	0	0	0	0	120.3
235	A	27.3	Very low	28.2	Very low	79 Å²	79	126.6 Å²	126.6	65%	0.653	76%	0.761	S	S	*	*			cis	-154.8	148.9	13	0	0	0	0	0	115
236	T	27.8	Very low	28.5	Very low	132 Å²	132	127.3 Å²	127.3	81%	0.81	76%	0.761	S	S	*	*			trans	59.5	155.7	149.6	47.5	0	0	0	0	120.1
237	L	23	Very low	28.1	Very low	148 Å²	148	127.6 Å²	127.6	78%	0.775	76%	0.758	S	S	*	*			cis	-152.9	124.2	-1.2	-144.2	127.1	0	0	0	105.7
238	A	27	Very low	27.1	Very low	78 Å²	78	126.4 Å²	126.4	65%	0.645	75%	0.751	S	S	*	*				71.2	131.8	73.7	0	0	0	0	0	118.5
239	N	28	Very low	27.8	Very low	153 Å²	153	128.5 Å²	128.5	82%	0.818	76%	0.756	S	S	*	*			trans	82.7	166.7	151.6	-91.6	-58.9	0	0	0	123.5
240	I	25.7	Very low	28.6	Very low	157 Å²	157	128.5 Å²	128.5	81%	0.805	75%	0.754	S	S	*	*			trans	78.8	116.8	-176.8	-51.1	174.2	0	0	0	113
241	K	24.6	Very low	28.7	Very low	182 Å²	182	125.5 Å²	125.5	79%	0.791	75%	0.747	S	S	*	*			cis	90.1	118.2	14.2	-160.4	-179.9	-179.1	177.9	0	116.6
242	S	23.9	Very low	28.9	Very low	109 Å²	109	127.5 Å²	127.5	76%	0.762	75%	0.748	S	S	*	*			trans	71.6	166.7	172.8	82.8	0	0	0	0	115.1
243	R	26.5	Very low	29.1	Very low	207 Å²	207	125.4 Å²	125.4	78%	0.781	75%	0.745	S	S	*	*			cis	-160.5	158.6	10.6	-149.5	-172.1	173.3	150.9	-3.6	111
244	N	27.6	Very low	29.4	Very low	127 Å²	127	124.5 Å²	124.5	68%	0.679	74%	0.741	S	S	*	*			trans	62.4	135.5	166.1	-56.8	-14.4	0	0	0	116.6
245	S	26.9	Very low	29.5	Very low	95 Å²	95	125.1 Å²	125.1	66%	0.664	73%	0.734	S	S	*	*			cis	85.2	140.3	22.3	85.3	0	0	0	0	116.6
246	V	30.5	Very low	29.6	Very low	128 Å²	128	128.5 Å²	128.5	78%	0.776	75%	0.746	S	S	*	*			trans	75.8	126.9	154	156.6	0	0	0	0	114.1
247	T	28.2	Very low	29.8	Very low	118 Å²	118	125.3 Å²	125.3	72%	0.724	74%	0.74	S	S	*	*			cis	-155.5	171.4	20.1	-11.2	0	0	0	0	115.4
248	C	29	Very low	30.2	Very low	108 Å²	108	123.8 Å²	123.8	73%	0.73	74%	0.741	S	S	*	*			trans	79.5	86.6	149.7	-68.5	0	0	0	0	120.4
249	S	40.6	Very low	31.4	Very low	105 Å²	105	125.9 Å²	125.9	73%	0.734	75%	0.748	S	S	*	*				-74.7	148	118.1	-46.5	0	0	0	0	108.9
250	P	47.2	Very low	32.4	Very low	112 Å²	112	123.4 Å²	123.4	73%	0.727	74%	0.741	S	S	*	*				-106.4	155.8	100.2	-19.4	36.4	0	0	0	112.8
251	V	32.4	Very low	32.5	Very low	111 Å²	111	122.4 Å²	122.4	67%	0.673	74%	0.736	S	S	*	*			cis	74	124.1	31.4	-178	0	0	0	0	109.6
252	E	29.9	Very low	32.7	Very low	166 Å²	166	115.3 Å²	115.3	78%	0.776	71%	0.708	S	S	*	*			cis	-159.5	174.2	26.8	-149	149.2	-142.5	0	0	114.6
253	S	31.5	Very low	33.3	Very low	102 Å²	102	112 Å²	112	71%	0.713	69%	0.685	S	S	*	*			trans	70	149.3	142	67.1	0	0	0	0	122.1
254	S	32.9	Very low	34.1	Very low	94 Å²	94	105.9 Å²	105.9	66%	0.657	67%	0.672	S	S	*	*			cis	-169.9	144.1	-23.5	54.5	0	0	0	0	114
255	T	29.6	Very low	34.4	Very low	117 Å²	117	107.1 Å²	107.1	72%	0.718	68%	0.678	S	S	*	*			trans	58.8	121.1	136.9	57.9	0	0	0	0	124
256	V	29.2	Very low	34.9	Very low	149 Å²	149	109.6 Å²	109.6	90%	0.903	68%	0.684	S	S	*	*				73.4	123.5	123.9	179.4	0	0	0	0	120.2
257	G	31.1	Very low	35	Very low	66 Å²	66	108.8 Å²	108.8	68%	0.68	68%	0.679	S	S	*	*			trans	168.7	99.5	161.9	0	0	0	0	0	112.6
258	S	31.4	Very low	34.9	Very low	116 Å²	116	111.6 Å²	111.6	81%	0.811	69%	0.686	S	S	*	*			trans	-165.6	158.8	-178	-54.4	0	0	0	0	111.8
259	P	53.7	Low	35.1	Very low	122 Å²	122	117.1 Å²	117.1	79%	0.792	69%	0.691	S	S	*	*			cis	-111.5	-140.8	-23.4	34.6	-14	0	0	0	108.6
260	P	47.2	Very low	35.4	Very low	101 Å²	101	117.4 Å²	117.4	66%	0.656	69%	0.693	S	S	*	*				-149.3	179.4	51.6	43.7	-22.3	0	0	0	118.2
261	L	28.6	Very low	34.9	Very low	135 Å²	135	118.3 Å²	118.3	71%	0.707	70%	0.699	S	S	*	*			trans	76.9	135.1	159.8	-56.4	-173.7	0	0	0	121.5
262	T	28.6	Very low	34.9	Very low	33 Å²	33	121.3 Å²	121.3	20%	0.202	71%	0.708	C	S	.	*			trans	76	143.6	162.9	77.7	0	0	0	0	118.6	Y513 Q514 E515	T262-Y513 WeakPolarHBondContact OG1-CD1 3.49Å; T262-Q514 HydrophobicContact CG2-CB 4.33Å; T262-Q514 PolarHBondContact O-NE2 2.87Å; T262-Q514 WeakPolarHBondContact OG1-CB 3.08Å; T262-Q514 WeakPolarHBondContact OG1-CG 3.28Å; T262-Q514 PolarHBondContact OG1-NE2 3Å; T262-Q514 PolarHBondContact OG1-OE1 3.21Å; T262-E515 WeakPolarHBondContact CA-OE1 3.26Å; T262-E515 HydrophobicContact CG2-CB 3.77Å; T262-E515 HydrophobicContact CG2-CG 4.18Å; T262-E515 PolarHBondContact N-OE1 3.36Å; T262-E515 VanDerWaalsContact N-OE1 3.12Å
263	S	35.9	Very low	34.8	Very low	40 Å²	40	119 Å²	119	28%	0.28	71%	0.711	S	S	.	*			trans	-174.4	177.1	-150	33.5	0	0	0	0	113.2	Q514 E515 N516	S263-Q514 VanDerWaalsContact N-NE2 3.18Å; S263-E515 CarbonylContact O-C 3.58Å; S263-E515 WeakPolarHBondContact O-CA 3.41Å; S263-N516 PolarHBondContact O-N 3.22Å; S263-N516 PolarHBondContact OG-ND2 3.11Å
264	P	44.3	Very low	34.7	Very low	79 Å²	79	119.6 Å²	119.6	51%	0.513	72%	0.715	S	S	.	*			cis	-144.3	-174	-21.8	40.1	-20	0	0	0	117.6	N516	P264-N516 VanDerWaalsContact CD-OD1 3.3Å; P264-N516 WeakPolarHBondContact CD-OD1 3Å; P264-N516 WeakPolarHBondContact CG-OD1 3.42Å
265	L	33.8	Very low	35.6	Very low	153 Å²	153	120.5 Å²	120.5	80%	0.801	72%	0.718	S	S	*	*			trans	9.4	128	140.2	-54.2	169.7	0	0	0	120.4
266	N	37.3	Very low	35.5	Very low	146 Å²	146	123.2 Å²	123.2	78%	0.781	72%	0.723	S	S	*	*			cis	88	139	47	-160.5	13	0	0	0	116.4
267	V	32.6	Very low	35.7	Very low	112 Å²	112	120.2 Å²	120.2	68%	0.679	71%	0.708	S	S	*	*			trans	101.1	124.9	159.3	-172.7	0	0	0	0	122.1
268	M	26.6	Very low	35.7	Very low	177 Å²	177	124.9 Å²	124.9	87%	0.872	71%	0.714	S	S	*	*			trans	87.7	158.8	156.5	-90.2	-165.5	-66	0	0	123.8
269	R	33.5	Very low	35.6	Very low	223 Å²	223	124.7 Å²	124.7	84%	0.842	71%	0.713	S	S	*	*			trans	-66.3	142.4	-156.8	-69.1	173.1	168.1	136.7	-4.8	117.7
270	S	45.6	Very low	34.6	Very low	111 Å²	111	123.5 Å²	123.5	78%	0.776	71%	0.707	S	S	*	*			trans	55.2	134.6	138.1	-53.8	0	0	0	0	120.3
271	P	37.2	Very low	33.7	Very low	132 Å²	132	124.9 Å²	124.9	86%	0.857	71%	0.714	S	S	*	*				-149	-168.9	96.5	40.8	-24.7	0	0	0	114.8
272	M	31.6	Very low	33.8	Very low	173 Å²	173	129.4 Å²	129.4	85%	0.852	72%	0.721	S	S	*	*			trans	-113.3	154.2	166.2	-75.9	-161.6	73.6	0	0	111.6
273	S	29.3	Very low	33.8	Very low	119 Å²	119	132.8 Å²	132.8	83%	0.832	75%	0.746	S	S	*	*			trans	139.8	156.3	138.9	-62.1	0	0	0	0	115
274	S	29.3	Very low	34	Very low	114 Å²	114	136.5 Å²	136.5	80%	0.797	77%	0.769	S	S	*	*			trans	-73.3	-165.9	173.6	-23.3	0	0	0	0	112
275	P	51	Low	34	Very low	112 Å²	112	137.9 Å²	137.9	73%	0.727	78%	0.779	S	S	*	*			cis	-149.6	-168.4	26.4	44.8	-22.9	0	0	0	117.2
276	Q	27.6	Very low	33.8	Very low	175 Å²	175	135.8 Å²	135.8	82%	0.818	78%	0.776	S	S	*	*			trans	156.3	152.2	131.3	-85.7	-170.6	30.3	0	0	110.8
277	S	34.3	Very low	33.2	Very low	85 Å²	85	134.3 Å²	134.3	59%	0.594	78%	0.777	S	S	*	*			cis	-171.5	170.7	-21.5	63.7	0	0	0	0	107.3
278	M	30.7	Very low	33	Very low	165 Å²	165	133.9 Å²	133.9	81%	0.813	78%	0.778	S	S	*	*			cis	-146.7	175.8	7.6	-76.5	-65.6	178.2	0	0	107.4
279	S	29.4	Very low	33.1	Very low	111 Å²	111	131.4 Å²	131.4	78%	0.776	77%	0.773	S	S	*	*			cis	-136.3	-120.4	-8.9	30.8	0	0	0	0	108.3
280	S	32.2	Very low	32.9	Very low	97 Å²	97	126.7 Å²	126.7	68%	0.678	77%	0.77	S	S	*	*			cis	-167.9	179.6	-11.4	-146.8	0	0	0	0	107.1
281	V	27.8	Very low	32.1	Very low	130 Å²	130	128 Å²	128	79%	0.788	78%	0.777	S	S	*	*			cis	-136.4	-133.9	2.4	-157.7	0	0	0	0	109.7
282	R	30.3	Very low	31.7	Very low	231 Å²	231	128.8 Å²	128.8	87%	0.872	77%	0.774	S	S	*	*			trans	-161.1	172.2	-171.3	-72.4	-163.8	179.6	172.1	0.4	109.1
283	S	29.1	Very low	31.5	Very low	103 Å²	103	127 Å²	127	72%	0.72	77%	0.766	S	S	*	*			cis	-178.2	179.2	-0	-113	0	0	0	0	109.1
284	P	41	Very low	31.4	Very low	118 Å²	118	132.6 Å²	132.6	77%	0.766	77%	0.769	S	S	*	*			cis	-130.9	-128.2	-26	45.6	-24.4	0	0	0	111.2
285	P	43.6	Very low	31.3	Very low	109 Å²	109	131.4 Å²	131.4	71%	0.708	76%	0.761	S	S	*	*			trans	-145.5	-170.3	-147.7	44.9	-18.8	0	0	0	120.2
286	S	29.8	Very low	30.2	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	76%	0.763	S	S	*	*			trans	68.8	137.1	140.3	-62.9	0	0	0	0	126.1
287	C	24.5	Very low	30.3	Very low	116 Å²	116	129.6 Å²	129.6	78%	0.784	76%	0.764	S	S	*	*			trans	143.6	131.9	143	-81.2	0	0	0	0	111.7
288	S	27.7	Very low	30.1	Very low	102 Å²	102	130.7 Å²	130.7	71%	0.713	77%	0.772	S	S	*	*				71.2	140.1	59.7	85.7	0	0	0	0	113.3
289	T	29.6	Very low	30.1	Very low	126 Å²	126	127.3 Å²	127.3	77%	0.773	77%	0.765	S	S	*	*			cis	-156.7	-173.3	32.2	-60.2	0	0	0	0	112.7
290	T	30.4	Very low	31	Very low	124 Å²	124	127.8 Å²	127.8	76%	0.761	77%	0.765	S	S	*	*			trans	-73.2	159.3	-170.3	56.9	0	0	0	0	119.6
291	C	28.3	Very low	30.7	Very low	137 Å²	137	129.9 Å²	129.9	93%	0.926	77%	0.774	S	S	*	*			trans	-170.1	-172.7	133.1	-113.3	0	0	0	0	114.7
292	N	29.1	Very low	30.7	Very low	150 Å²	150	127.2 Å²	127.2	80%	0.802	77%	0.772	S	S	*	*			trans	-145.6	170.1	-156.1	-162	-2.2	0	0	0	114.9
293	I	27.2	Very low	30.6	Very low	135 Å²	135	120 Å²	120	69%	0.692	77%	0.771	S	S	*	*			trans	85.6	122.1	160.6	-61.1	165.9	0	0	0	120.5
294	R	25.9	Very low	30.4	Very low	237 Å²	237	120.5 Å²	120.5	89%	0.894	77%	0.774	S	S	*	*			trans	44.8	159.7	146.9	-75.3	-175.2	176.7	-175.2	-0.8	121.5
295	S	28.2	Very low	29.6	Very low	88 Å²	88	119.8 Å²	119.8	62%	0.615	77%	0.77	S	S	*	*			cis	-174.5	164	-13.2	49.7	0	0	0	0	110.8
296	S	28.5	Very low	28.8	Very low	110 Å²	110	121.3 Å²	121.3	77%	0.769	78%	0.778	S	S	*	*			trans	71.8	157.6	163.5	-52.3	0	0	0	0	115.7
297	V	28.9	Very low	28.7	Very low	140 Å²	140	121.4 Å²	121.4	85%	0.848	79%	0.785	S	S	*	*			cis	-115.6	-158.6	3.3	-128.7	0	0	0	0	109.1
298	S	29.9	Very low	28.9	Very low	107 Å²	107	119.5 Å²	119.5	75%	0.748	79%	0.785	S	S	*	*			cis	-150.6	-176	10.2	-154.2	0	0	0	0	112.4
299	S	31.4	Very low	28.9	Very low	95 Å²	95	120.7 Å²	120.7	66%	0.664	79%	0.789	S	S	*	*			trans	-151.8	-174.7	173.7	-146	0	0	0	0	108.6
300	P	46.8	Very low	28.9	Very low	121 Å²	121	121.2 Å²	121.2	79%	0.786	79%	0.787	S	S	*	*				-142.9	144	50.8	37.3	-16.4	0	0	0	118
301	T	27.3	Very low	29.1	Very low	140 Å²	140	122 Å²	122	86%	0.859	79%	0.786	S	S	*	*			trans	-104.7	138.1	130	49.2	0	0	0	0	108.5
302	G	27.3	Very low	29.4	Very low	74 Å²	74	120.3 Å²	120.3	76%	0.763	78%	0.776	S	S	*	*			trans	-121.7	138.3	176	0	0	0	0	0	112.2
303	G	28.2	Very low	29.7	Very low	81 Å²	81	119.9 Å²	119.9	84%	0.835	77%	0.773	S	S	*	*			trans	-74.4	-175.1	168.9	0	0	0	0	0	112.7
304	S	25.7	Very low	30	Very low	112 Å²	112	119.3 Å²	119.3	78%	0.783	78%	0.776	S	S	*	*			cis	-159.2	174.1	27.5	-165	0	0	0	0	113.1
305	C	24	Very low	30.3	Very low	103 Å²	103	112.4 Å²	112.4	70%	0.696	77%	0.77	S	S	*	*			trans	36.4	130.1	158	61.1	0	0	0	0	120.3
306	T	26.4	Very low	30.6	Very low	141 Å²	141	118.6 Å²	118.6	87%	0.865	78%	0.78	S	S	*	*				-169.2	-179.8	75.9	28.7	0	0	0	0	112
307	A	27.4	Very low	30.6	Very low	110 Å²	110	120 Å²	120	91%	0.909	78%	0.778	S	S	*	*			trans	-85.3	153.5	-175.3	0	0	0	0	0	114.1
308	G	27.7	Very low	30.8	Very low	76 Å²	76	118.1 Å²	118.1	78%	0.784	77%	0.771	S	S	*	*			trans	-170.9	106.4	178.7	0	0	0	0	0	114.8
309	T	28.3	Very low	30.9	Very low	128 Å²	128	119.8 Å²	119.8	79%	0.785	77%	0.77	S	S	*	*			trans	-45.6	156.1	176.1	46.4	0	0	0	0	120
310	N	30.3	Very low	30.9	Very low	137 Å²	137	120.3 Å²	120.3	73%	0.733	77%	0.774	S	S	*	*			trans	101.9	109.2	142.2	-68.5	-12.4	0	0	0	123
311	N	33.9	Very low	30.4	Very low	139 Å²	139	119.5 Å²	119.5	74%	0.743	77%	0.771	S	S	*	*				75.8	108.9	128.5	-78.8	-2.4	0	0	0	124
312	S	35.2	Very low	31.6	Very low	102 Å²	102	119.3 Å²	119.3	71%	0.713	77%	0.772	S	S	*	*				80.6	143.4	120.2	82.8	0	0	0	0	119
313	N	34.4	Very low	32	Very low	141 Å²	141	119.9 Å²	119.9	75%	0.754	77%	0.77	S	S	*	*			cis	-157.5	168.7	1.1	-138.3	-16.6	0	0	0	115.8
314	T	34.4	Very low	32.3	Very low	123 Å²	123	122 Å²	122	76%	0.755	77%	0.772	S	S	*	*			trans	74	122.8	150.3	37.2	0	0	0	0	124.5
315	A	32.1	Very low	32.5	Very low	92 Å²	92	120.7 Å²	120.7	76%	0.76	78%	0.776	S	S	*	*				95	50.2	124	0	0	0	0	0	122.7
316	R	34.1	Very low	32.9	Very low	218 Å²	218	119.4 Å²	119.4	82%	0.823	78%	0.78	S	S	*	*				-1.6	138.9	118.3	-149	-167.8	-147.8	-143.8	7.4	118.1
317	L	29	Very low	34.5	Very low	139 Å²	139	118.6 Å²	118.6	73%	0.728	78%	0.777	S	S	*	*				-171.3	165.7	112.7	-100.9	172.4	0	0	0	114.4
318	S	32.2	Very low	34.9	Very low	102 Å²	102	122 Å²	122	71%	0.713	78%	0.777	S	S	*	*			trans	-161.3	-157.8	-172.2	-50.4	0	0	0	0	109.5
319	I	33.5	Very low	35.2	Very low	142 Å²	142	123.1 Å²	123.1	73%	0.728	78%	0.778	S	S	*	*			trans	85.8	139.3	167.6	-51.6	155	0	0	0	114.2
320	S	30.9	Very low	35.3	Very low	105 Å²	105	121.3 Å²	121.3	73%	0.734	78%	0.777	S	S	*	*			cis	-167.7	176.7	-25.8	64.3	0	0	0	0	111.6
321	S	35.7	Very low	35.2	Very low	105 Å²	105	120 Å²	120	73%	0.734	78%	0.778	S	S	*	*			trans	-79.4	-176.9	159.1	-34.1	0	0	0	0	111.1
322	P	53.2	Low	35.1	Very low	135 Å²	135	118.8 Å²	118.8	88%	0.877	78%	0.781	S	S	*	*				-145.1	-136	51.7	41.5	-17.5	0	0	0	115.6
323	A	34.2	Very low	35.7	Very low	86 Å²	86	119.2 Å²	119.2	71%	0.711	78%	0.781	S	S	*	*			trans	-135.8	169.1	-147.9	0	0	0	0	0	118.6
324	S	36.5	Very low	35.6	Very low	125 Å²	125	121.5 Å²	121.5	87%	0.874	79%	0.787	S	S	*	*			trans	63.3	130.4	147	61.3	0	0	0	0	123.7
325	G	29.5	Very low	35.6	Very low	85 Å²	85	123 Å²	123	88%	0.876	79%	0.791	S	S	*	*			trans	173	149.1	162.8	0	0	0	0	0	114.1
326	G	32.5	Very low	36.3	Very low	76 Å²	76	125 Å²	125	78%	0.784	80%	0.795	S	S	*	*			trans	-122.2	-149.1	177.1	0	0	0	0	0	112.8
327	P	60	Low	36.1	Very low	124 Å²	124	119.7 Å²	119.7	81%	0.805	79%	0.792	S	S	*	*			cis	-144.9	179.2	-3.3	45.1	-26.4	0	0	0	117.6
328	M	34.8	Very low	36.3	Very low	182 Å²	182	118 Å²	118	90%	0.897	79%	0.792	S	S	*	*			trans	43.8	135.3	153.7	-62.8	-59.5	-176.5	0	0	125.1
329	A	34.6	Very low	36.1	Very low	99 Å²	99	120.3 Å²	120.3	82%	0.818	80%	0.801	S	S	*	*				168.2	147.1	110.3	0	0	0	0	0	118.3
330	A	30.4	Very low	35.9	Very low	91 Å²	91	116.9 Å²	116.9	75%	0.752	80%	0.801	S	S	*	*			trans	75.8	105.4	143.9	0	0	0	0	0	126.5
331	S	28.9	Very low	35.8	Very low	108 Å²	108	122 Å²	122	76%	0.755	81%	0.811	S	S	*	*				57.3	121.2	128.3	62.1	0	0	0	0	126.9
332	S	31.3	Very low	36.1	Very low	115 Å²	115	122.3 Å²	122.3	80%	0.804	81%	0.81	S	S	*	*				29	158.6	116.3	-57.2	0	0	0	0	123
333	P	48.4	Very low	34.9	Very low	111 Å²	111	122 Å²	122	72%	0.721	81%	0.805	S	S	*	*			cis	-150.5	165.5	28.7	43.9	-23.2	0	0	0	121.8
334	Q	31.6	Very low	34.6	Very low	189 Å²	189	123.3 Å²	123.3	88%	0.883	81%	0.809	S	S	*	*			trans	54.7	148	138.5	-69.5	178.4	-18.9	0	0	126.5
335	N	34.3	Very low	34.3	Very low	154 Å²	154	122.6 Å²	122.6	82%	0.824	81%	0.805	S	S	*	*			trans	-88.7	172.1	168.3	-63.8	-22.6	0	0	0	112.6
336	P	45.7	Very low	35.1	Very low	133 Å²	133	124.3 Å²	124.3	86%	0.864	80%	0.8	S	S	*	*				-137.7	-153.2	106.4	39.5	-27.1	0	0	0	114.3
337	S	31	Very low	34.8	Very low	108 Å²	108	125.7 Å²	125.7	76%	0.755	80%	0.804	S	S	*	*			trans	-150.1	169.9	-149.5	57.9	0	0	0	0	118.2
338	S	32	Very low	33.3	Very low	103 Å²	103	123.6 Å²	123.6	72%	0.72	81%	0.805	S	S	*	*			trans	105.9	150.1	137.9	80.4	0	0	0	0	123.2
339	V	29.4	Very low	33	Very low	150 Å²	150	118.5 Å²	118.5	91%	0.909	80%	0.799	S	S	*	*			trans	73.9	131.8	159.7	-169.9	0	0	0	0	121.3
340	G	28.1	Very low	32.9	Very low	71 Å²	71	122.2 Å²	122.2	73%	0.732	81%	0.805	S	S	*	*			trans	149.1	120.5	149.5	0	0	0	0	0	119.5
341	F	30.7	Very low	32.9	Very low	212 Å²	212	121.3 Å²	121.3	93%	0.93	80%	0.804	S	S	*	*			trans	-102.5	178.7	155.7	-74.8	-81.6	0	0	0	108.4
342	P	41.9	Very low	33.1	Very low	111 Å²	111	123.9 Å²	123.9	72%	0.721	81%	0.808	S	S	*	*			cis	-147.3	173.6	15.2	46	-25.8	0	0	0	119.5
343	V	27.7	Very low	33.1	Very low	128 Å²	128	123.9 Å²	123.9	78%	0.776	80%	0.803	S	S	*	*			trans	36.5	135.4	134.4	-178.1	0	0	0	0	123.9
344	S	27.1	Very low	32.3	Very low	114 Å²	114	125.8 Å²	125.8	80%	0.797	80%	0.803	S	S	*	*			trans	86.5	142.1	148.8	63.3	0	0	0	0	124.1
345	S	31.5	Very low	32.2	Very low	111 Å²	111	122.8 Å²	122.8	78%	0.776	79%	0.792	S	S	*	*			trans	-77.6	178.1	166	-20.6	0	0	0	0	111.7
346	P	44.4	Very low	32.1	Very low	120 Å²	120	120.9 Å²	120.9	78%	0.779	78%	0.782	S	S	*	*			cis	-155.3	179.6	42.2	45.1	-23.4	0	0	0	119.9
347	A	27.8	Very low	31.3	Very low	105 Å²	105	121.1 Å²	121.1	87%	0.868	78%	0.781	S	S	*	*			trans	57.5	152.1	140	0	0	0	0	0	125.2
348	G	27.4	Very low	31.1	Very low	80 Å²	80	122.9 Å²	122.9	83%	0.825	78%	0.783	S	S	*	*			trans	101.1	133	174.4	0	0	0	0	0	113.2
349	G	28.7	Very low	31.5	Very low	75 Å²	75	123 Å²	123	77%	0.773	78%	0.783	S	S	*	*			cis	112.5	137.9	15.5	0	0	0	0	0	109.9
350	L	32.1	Very low	32.5	Very low	178 Å²	178	121 Å²	121	93%	0.932	77%	0.773	S	S	*	*			cis	-148.1	157.1	3.1	-77.1	158.7	0	0	0	108.2
351	G	30.6	Very low	32.6	Very low	72 Å²	72	124.6 Å²	124.6	74%	0.742	78%	0.776	S	S	*	*				114.7	161.2	91.3	0	0	0	0	0	111.2
352	L	34.2	Very low	32.5	Very low	161 Å²	161	118.6 Å²	118.6	84%	0.843	77%	0.765	S	S	*	*			cis	-165.1	174.4	-0.7	-167.2	65.5	0	0	0	110.7
353	V	30	Very low	31.7	Very low	115 Å²	115	122.8 Å²	122.8	70%	0.697	78%	0.775	S	S	*	*			trans	81.9	122.4	163.4	-174.8	0	0	0	0	115.6
354	Q	31.8	Very low	31.6	Very low	152 Å²	152	120.5 Å²	120.5	71%	0.71	78%	0.778	S	S	*	*			cis	-164.5	-171.3	-14.3	-121.8	160	-99.1	0	0	107.1
355	N	29.4	Very low	31.4	Very low	125 Å²	125	123.2 Å²	123.2	67%	0.668	78%	0.78	S	S	*	*			cis	-153	170.8	11.8	-156	88	0	0	0	110.9
356	D	31.7	Very low	31.1	Very low	114 Å²	114	123.2 Å²	123.2	61%	0.61	78%	0.776	S	S	*	*			trans	-98	153.1	-172.2	-47.6	-87.7	0	0	0	116.7
357	T	29	Very low	30.2	Very low	138 Å²	138	127.3 Å²	127.3	85%	0.847	78%	0.775	S	S	*	*				158.4	148.2	120.8	37.1	0	0	0	0	111
358	N	27.6	Very low	30.2	Very low	146 Å²	146	127.5 Å²	127.5	78%	0.781	76%	0.762	S	S	*	*			cis	-176	142	-47	-111.1	-17.5	0	0	0	105.4
359	S	39.4	Very low	30.2	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	76%	0.757	S	S	*	*			trans	-80.4	179	168	-156.2	0	0	0	0	110.2
360	P	52.1	Low	30.1	Very low	108 Å²	108	131.8 Å²	131.8	70%	0.701	75%	0.753	S	S	*	*				-155.7	150.5	86.5	39.2	-19	0	0	0	118.8
361	D	28.7	Very low	30	Very low	147 Å²	147	131.6 Å²	131.6	79%	0.786	75%	0.745	S	S	*	*				51.4	155	124.3	-47	-24.4	0	0	0	126.4
362	A	28.6	Very low	29.9	Very low	85 Å²	85	136.8 Å²	136.8	70%	0.702	75%	0.747	S	S	*	*			trans	95.8	118.7	143	0	0	0	0	0	121.3
363	E	25.5	Very low	29.5	Very low	199 Å²	199	136.3 Å²	136.3	93%	0.93	75%	0.745	S	S	*	*			trans	47.2	143.8	130.5	-55.8	-174.7	151.1	0	0	122.3
364	G	25.2	Very low	29.1	Very low	81 Å²	81	140 Å²	140	84%	0.835	75%	0.752	S	S	*	*			trans	168.9	137	165.6	0	0	0	0	0	114.1
365	M	24.4	Very low	28.8	Very low	171 Å²	171	140.9 Å²	140.9	84%	0.842	76%	0.756	S	S	*	*			trans	-125	159.6	177.1	-172	169.4	68	0	0	110.5
366	T	24.6	Very low	28.6	Very low	111 Å²	111	143.7 Å²	143.7	68%	0.681	76%	0.763	S	S	*	*			trans	76.1	125.2	162.5	27.7	0	0	0	0	121.2
367	R	26.2	Very low	28.5	Very low	205 Å²	205	144.3 Å²	144.3	77%	0.774	77%	0.773	S	S	*	*			trans	98.3	131.6	132.7	-76.6	-179.2	73.7	146.8	10.4	122.3
368	D	26	Very low	28.2	Very low	110 Å²	110	144.8 Å²	144.8	59%	0.588	76%	0.763	S	S	*	*			trans	59.6	141.1	147.6	-44.8	-18	0	0	0	117.4
369	T	29.2	Very low	28.2	Very low	119 Å²	119	143.8 Å²	143.8	73%	0.73	76%	0.762	S	S	*	*			cis	-158.6	152	22.7	-28.3	0	0	0	0	111.2
370	D	26.3	Very low	27.5	Very low	126 Å²	126	146 Å²	146	67%	0.674	76%	0.761	S	S	*	*			trans	29.3	147.2	153.4	-63.4	-23.3	0	0	0	122.7
371	F	29.1	Very low	26.5	Very low	174 Å²	174	147.7 Å²	147.7	76%	0.763	76%	0.761	S	S	*	*			cis	-157.7	146	47.3	-81.6	-88.6	0	0	0	115.3
372	K	28.9	Very low	26.5	Very low	180 Å²	180	147.2 Å²	147.2	78%	0.783	76%	0.763	S	S	*	*			trans	50.9	126.9	151.2	-64.7	-180	178.9	179.6	0	119.4
373	N	24.9	Very low	26.7	Very low	151 Å²	151	149.3 Å²	149.3	81%	0.807	76%	0.763	S	S	*	*			cis	69.2	101.5	37.5	-66.1	-6.8	0	0	0	117.5
374	F	23.4	Very low	27	Very low	192 Å²	192	143.2 Å²	143.2	84%	0.842	75%	0.753	S	S	*	*			trans	-171.8	92.8	134.2	-99.9	-68.2	0	0	0	105.8
375	E	24.8	Very low	27.2	Very low	171 Å²	171	147.8 Å²	147.8	80%	0.799	75%	0.753	S	S	*	*				91.7	149.9	80.2	-165.7	162.3	-158.2	0	0	113.1
376	F	25.4	Very low	27.2	Very low	184 Å²	184	145.9 Å²	145.9	81%	0.807	75%	0.75	S	S	*	*			trans	-83.3	164.4	-153.4	-80	-90.2	0	0	0	115.7
377	P	28.7	Very low	27.2	Very low	128 Å²	128	149.7 Å²	149.7	83%	0.831	76%	0.758	S	S	*	*				-109.9	148.9	95.5	-15.3	32.4	0	0	0	116.3
378	K	23	Very low	27	Very low	147 Å²	147	145 Å²	145	64%	0.639	76%	0.757	S	S	*	*			trans	-65.1	138.6	-177.2	-168.8	-171.6	-178.5	-144.9	0	112.4	E380	K378-E380 IonicContact NZ-OE1 2.66Å; K378-E380 PolarHBondContact NZ-OE1 3.49Å; K378-E380 IonicContact NZ-OE2 2.66Å; K378-E380 PolarHBondContact NZ-OE2 3.08Å
379	V	27.2	Very low	27	Very low	125 Å²	125	146.1 Å²	146.1	76%	0.758	77%	0.767	S	S	*	*			trans	-108.6	139.8	155.4	174.9	0	0	0	0	107.5
380	E	24.5	Very low	26.9	Very low	153 Å²	153	143.7 Å²	143.7	72%	0.715	77%	0.766	S	S	*	*			trans	-106.9	133.2	178.9	-164.3	133.6	-140.5	0	0	108.7	K378	K378-E380 IonicContact NZ-OE1 2.66Å; K378-E380 PolarHBondContact NZ-OE1 3.49Å; K378-E380 IonicContact NZ-OE2 2.66Å; K378-E380 PolarHBondContact NZ-OE2 3.08Å
381	M	32.8	Very low	26.8	Very low	143 Å²	143	145.5 Å²	145.5	70%	0.704	78%	0.775	S	S	*	*			trans	-102.1	-170.5	-174.2	-70.7	-62.6	-143.1	0	0	111.8
382	V	28.8	Very low	26.8	Very low	136 Å²	136	145 Å²	145	82%	0.824	78%	0.78	S	S	*	*			trans	103.3	83.5	-166.8	178.3	0	0	0	0	109.2
383	D	31.8	Very low	26.8	Very low	130 Å²	130	143.7 Å²	143.7	70%	0.695	78%	0.777	S	S	*	*			cis	58.7	134.8	46.8	-49.9	-53.6	0	0	0	113.1
384	G	31.4	Very low	27.1	Very low	70 Å²	70	145.9 Å²	145.9	72%	0.722	78%	0.784	S	S	*	*			cis	-167.6	178.8	-2.2	0	0	0	0	0	109.1
385	E	28.8	Very low	27.3	Very low	178 Å²	178	140.1 Å²	140.1	83%	0.832	78%	0.779	S	S	*	*			cis	-140.3	163.5	4.7	-64.3	-177.2	114.3	0	0	110.8
386	V	25.2	Very low	27.3	Very low	130 Å²	130	141.2 Å²	141.2	79%	0.788	79%	0.786	S	S	*	*			trans	-113.7	119.4	171.4	174.2	0	0	0	0	109.3	S388	V386-S388 PolarHBondContact O-N 3.36Å
387	F	23.8	Very low	27.3	Very low	191 Å²	191	139 Å²	139	84%	0.838	79%	0.787	S	S	*	*			trans	-70.5	101	171.2	-90.5	-79.6	0	0	0	111.2
388	S	23.3	Very low	27.1	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	79%	0.789	S	S	*	*			trans	-89.3	125.7	163.2	-63.9	0	0	0	0	109.6	V386	V386-S388 PolarHBondContact O-N 3.36Å
389	V	25.6	Very low	27.4	Very low	132 Å²	132	146 Å²	146	80%	0.8	80%	0.8	S	S	*	*			trans	-121.3	108.7	166.9	-179.7	0	0	0	0	108
390	G	26.5	Very low	27.3	Very low	68 Å²	68	147.6 Å²	147.6	70%	0.701	80%	0.803	S	S	*	*			trans	-75.6	152.6	172.3	0	0	0	0	0	111.6
391	L	26	Very low	27.5	Very low	165 Å²	165	149.1 Å²	149.1	86%	0.864	81%	0.807	S	S	*	*			trans	-69.3	137.5	162.6	-89.5	68.5	0	0	0	109.4
392	D	27.9	Very low	27.3	Very low	162 Å²	162	149.2 Å²	149.2	87%	0.866	81%	0.811	S	S	*	*			trans	-126.3	153.7	141.9	-167.2	14.1	0	0	0	108.8
393	Q	29.8	Very low	27.2	Very low	154 Å²	154	150.7 Å²	150.7	72%	0.72	81%	0.809	S	S	*	*			trans	-141.5	96.1	-164.5	-178.1	178.7	92	0	0	112.5
394	M	29.8	Very low	27.6	Very low	197 Å²	197	149.3 Å²	149.3	97%	0.97	81%	0.807	S	S	*	*			trans	-154.1	128.7	153	-113.8	153	-104.3	0	0	110.2
395	G	27.4	Very low	27.4	Very low	71 Å²	71	154.3 Å²	154.3	73%	0.732	81%	0.811	S	S	*	*			trans	-132	151.1	-170.4	0	0	0	0	0	113.6
396	M	26.3	Very low	27.3	Very low	193 Å²	193	152 Å²	152	95%	0.951	81%	0.81	S	S	*	*			trans	-137.3	119.4	167	-83	-69.4	174.2	0	0	108.8
397	V	25	Very low	27.4	Very low	137 Å²	137	152.4 Å²	152.4	83%	0.83	81%	0.807	S	S	*	*			trans	-88.7	129.8	174.6	176.1	0	0	0	0	109.4
398	K	25.2	Very low	27.5	Very low	200 Å²	200	153 Å²	153	87%	0.87	81%	0.81	S	S	*	*			trans	-132.5	133.7	156.5	-112.2	179.3	180	176.7	0	109.9
399	Y	27.5	Very low	27.7	Very low	223 Å²	223	158.8 Å²	158.8	88%	0.875	82%	0.815	S	S	*	*			trans	-58.5	143	-178.6	-64.1	-99.3	0	0	0	112.6
400	I	26.8	Very low	27.9	Very low	159 Å²	159	157.4 Å²	157.4	82%	0.815	81%	0.811	S	S	*	*				-147.1	142.9	129.2	-99	144.1	0	0	0	108.3
401	K	27.6	Very low	27.9	Very low	184 Å²	184	162.9 Å²	162.9	80%	0.8	82%	0.821	S	S	*	*			trans	-94.6	134.2	175.7	164.3	-153.5	171.7	-166.3	0	107.6
402	N	28.4	Very low	28	Very low	145 Å²	145	161.1 Å²	161.1	78%	0.775	82%	0.821	S	S	*	*			trans	-131.8	140.9	163.1	-86.1	-11.3	0	0	0	111.2
403	E	28.1	Very low	28	Very low	168 Å²	168	162.5 Å²	162.5	79%	0.785	83%	0.827	S	S	*	*			trans	-119.9	166.2	156.6	-86	-74.2	135.6	0	0	105.7
404	P	39.8	Very low	27.8	Very low	101 Å²	101	159 Å²	159	66%	0.656	83%	0.832	S	S	*	*			trans	-98.1	178.7	-148.1	38.9	-39.8	0	0	0	116.6
405	E	26.7	Very low	27.7	Very low	175 Å²	175	155 Å²	155	82%	0.818	82%	0.824	S	S	*	*			trans	67.5	124.7	168.9	-50.3	-172.2	170.1	0	0	115.9
406	T	27.8	Very low	27.8	Very low	130 Å²	130	156.9 Å²	156.9	80%	0.798	83%	0.826	S	S	*	*				-169.4	173.6	70.1	26.4	0	0	0	0	111.7
407	D	26.6	Very low	27.8	Very low	138 Å²	138	156.9 Å²	156.9	74%	0.738	82%	0.821	S	S	*	*			trans	-55.9	146.8	172.7	-56.9	-90.1	0	0	0	114.2
408	F	25.5	Very low	27.8	Very low	204 Å²	204	155.5 Å²	155.5	90%	0.895	82%	0.816	S	S	*	*				-172	157.6	97.1	-116	-89.5	0	0	0	115.1
409	R	27.4	Very low	27.8	Very low	228 Å²	228	153.2 Å²	153.2	86%	0.86	81%	0.813	S	S	*	*			trans	-84	129	-178.2	171.3	-173	179.6	-174.6	2.3	112.4
410	S	31	Very low	27.7	Very low	103 Å²	103	149.1 Å²	149.1	72%	0.72	81%	0.811	S	S	*	*			trans	63.3	127.7	155.4	-175	0	0	0	0	119
411	M	25.8	Very low	27.7	Very low	184 Å²	184	146.3 Å²	146.3	91%	0.906	81%	0.806	S	S	*	*				-164	129.9	111.7	-86.1	-143.8	-180	0	0	111.3
412	C	28.7	Very low	27.6	Very low	128 Å²	128	143.2 Å²	143.2	87%	0.865	81%	0.807	S	S	*	*			trans	-109.1	151.8	156.3	-79.7	0	0	0	0	109.1
413	L	27.8	Very low	27.7	Very low	190 Å²	190	140.8 Å²	140.8	100%	0.995	81%	0.807	S	S	*	*			trans	-75.5	132.3	-168.2	-66.9	162.2	0	0	0	112.5
414	G	25.6	Very low	28.1	Very low	80 Å²	80	138.1 Å²	138.1	83%	0.825	81%	0.805	S	S	*	*			trans	-152.3	120.2	167.7	0	0	0	0	0	109.4
415	S	27.9	Very low	27.5	Very low	114 Å²	114	141 Å²	141	80%	0.797	81%	0.814	S	S	*	*			trans	-111.1	154.1	-164.7	51.3	0	0	0	0	114.4
416	S	27.9	Very low	27.6	Very low	110 Å²	110	140.2 Å²	140.2	77%	0.769	81%	0.813	S	S	*	*			trans	87.4	114.4	160.4	76.1	0	0	0	0	121.3
417	K	27.2	Very low	27.7	Very low	193 Å²	193	140.7 Å²	140.7	84%	0.839	82%	0.816	S	S	*	*			trans	55.9	102.6	135	-66.9	-174.6	174.8	-178.4	0	122.4
418	C	25.3	Very low	27.8	Very low	108 Å²	108	141.3 Å²	141.3	73%	0.73	81%	0.814	S	S	*	*				57.9	108.3	114.6	-57.6	0	0	0	0	122.4
419	N	24.7	Very low	27.9	Very low	152 Å²	152	138.6 Å²	138.6	81%	0.813	81%	0.808	S	S	*	*				74.2	153	128.1	-64.2	6.5	0	0	0	122.5
420	V	25.9	Very low	27.8	Very low	137 Å²	137	136.3 Å²	136.3	83%	0.83	80%	0.804	S	S	*	*			trans	90.7	127.8	163.5	-168.4	0	0	0	0	117
421	S	26.2	Very low	27.6	Very low	101 Å²	101	136 Å²	136	71%	0.706	80%	0.802	S	S	*	*			trans	-37.5	144.6	179.7	55.7	0	0	0	0	119.3
422	S	26	Very low	27.6	Very low	118 Å²	118	135.8 Å²	135.8	83%	0.825	80%	0.799	S	S	*	*				166	118.1	124.1	56.6	0	0	0	0	111.3
423	A	30	Very low	28.5	Very low	94 Å²	94	134.2 Å²	134.2	78%	0.777	79%	0.787	S	S	*	*			trans	-81.5	166.7	146.4	0	0	0	0	0	108
424	P	35.9	Very low	28.6	Very low	113 Å²	113	130.9 Å²	130.9	73%	0.734	77%	0.77	S	S	*	*			cis	-136.4	-177.1	16.1	43.1	-26.4	0	0	0	115.2
425	L	27.2	Very low	29	Very low	162 Å²	162	135.1 Å²	135.1	85%	0.848	77%	0.766	S	S	*	*				-176.3	131.2	121.3	-99.5	162.6	0	0	0	112
426	I	30	Very low	29	Very low	158 Å²	158	135.1 Å²	135.1	81%	0.81	76%	0.757	S	S	*	*			trans	-115.2	136.6	165.1	-72.8	173.9	0	0	0	107.5	Q428	I426-Q428 VanDerWaalsContact C-N 3.3Å; I426-Q428 PolarHBondContact O-N 3.5Å
427	T	28.8	Very low	29.1	Very low	139 Å²	139	138.2 Å²	138.2	85%	0.853	76%	0.759	S	S	*	*			trans	-84.7	70.9	-179.5	-26.2	0	0	0	0	113
428	Q	28.9	Very low	29.1	Very low	151 Å²	151	132.4 Å²	132.4	71%	0.706	75%	0.754	S	S	*	*			trans	75.2	138.5	142.6	-58.8	-162	3.9	0	0	123.3	I426	I426-Q428 VanDerWaalsContact C-N 3.3Å; I426-Q428 PolarHBondContact O-N 3.5Å
429	I	28.2	Very low	29.2	Very low	148 Å²	148	133 Å²	133	76%	0.759	76%	0.758	S	S	*	*			trans	77.9	126.6	146.4	-72.7	159.8	0	0	0	118
430	K	24.8	Very low	29.4	Very low	180 Å²	180	133.3 Å²	133.3	78%	0.783	76%	0.757	S	S	*	*			cis	-167.6	149.8	-9.5	-179.2	176	172.5	-177.6	0	112.6
431	S	26.8	Very low	29.6	Very low	97 Å²	97	133.3 Å²	133.3	68%	0.678	75%	0.752	S	S	*	*			trans	58.9	101.2	159.1	56.9	0	0	0	0	122.4
432	E	25.1	Very low	29.7	Very low	178 Å²	178	137.8 Å²	137.8	83%	0.832	76%	0.762	S	S	*	*				20.7	161.9	101.6	-93	-155.9	164.4	0	0	121.9
433	P	47.8	Very low	29.8	Very low	96 Å²	96	140.7 Å²	140.7	62%	0.623	76%	0.763	S	S	*	*			cis	-145.2	175.8	22.6	43	-23.9	0	0	0	120.4
434	N	31.4	Very low	30.5	Very low	120 Å²	120	141.2 Å²	141.2	64%	0.642	76%	0.758	S	S	*	*			trans	77.6	114.4	140.1	-80.8	-37	0	0	0	125
435	K	32.2	Very low	30.1	Very low	169 Å²	169	146.1 Å²	146.1	74%	0.735	77%	0.768	S	S	*	*				91.1	136.5	114.9	-78.1	-178.2	-180	-174.6	0	125.9
436	N	29.6	Very low	30.1	Very low	113 Å²	113	142 Å²	142	60%	0.604	77%	0.765	S	S	*	*			trans	78.1	123.7	139.3	-72.3	39.3	0	0	0	123.6
437	E	29.1	Very low	30.1	Very low	175 Å²	175	143.1 Å²	143.1	82%	0.818	77%	0.767	S	S	*	*				52.7	129.4	127.3	-57.9	173.4	128.1	0	0	122.7
438	G	27.6	Very low	30.1	Very low	71 Å²	71	143.4 Å²	143.4	73%	0.732	77%	0.768	S	S	*	*				120.4	118.1	111.6	0	0	0	0	0	120.4
439	C	26.1	Very low	30	Very low	121 Å²	121	141.6 Å²	141.6	82%	0.818	77%	0.773	S	S	*	*			trans	63.7	117.9	138.9	-69.1	0	0	0	0	124
440	M	29.1	Very low	30.7	Very low	158 Å²	158	139.8 Å²	139.8	78%	0.778	77%	0.77	S	S	*	*				68.4	119.6	121.2	-62.6	-64.8	165.8	0	0	123.1
441	N	30.6	Very low	31	Very low	137 Å²	137	136.4 Å²	136.4	73%	0.733	77%	0.769	S	S	*	*			trans	34.1	125.3	132.1	-66.2	-38.3	0	0	0	121.2
442	Q	29.2	Very low	31.1	Very low	196 Å²	196	140.2 Å²	140.2	92%	0.916	78%	0.781	S	S	*	*				-173	173.7	101.6	-99.5	175.9	54	0	0	113.4
443	Q	26.8	Very low	31.2	Very low	179 Å²	179	135 Å²	135	84%	0.836	77%	0.774	S	S	*	*			trans	-90.8	-161.3	174.2	-46.2	177.9	-78	0	0	109.7
444	P	44.4	Very low	30.3	Very low	104 Å²	104	138.9 Å²	138.9	68%	0.675	79%	0.789	S	S	*	*			cis	-136.8	175.2	-11.3	23.5	2.6	0	0	0	116.8
445	F	27.6	Very low	30	Very low	217 Å²	217	142.6 Å²	142.6	95%	0.952	80%	0.8	S	S	*	*			trans	38.6	135.3	148.9	-84.2	-99.5	0	0	0	122.9
446	G	28.8	Very low	30.5	Very low	76 Å²	76	140.2 Å²	140.2	78%	0.784	80%	0.802	S	S	*	*			trans	165.8	86.6	158.1	0	0	0	0	0	118.7
447	E	28.8	Very low	30.3	Very low	181 Å²	181	139 Å²	139	85%	0.846	81%	0.807	S	S	*	*			trans	33.4	160.1	146.3	-66.8	-169.9	116.6	0	0	126.4
448	T	30.1	Very low	30.4	Very low	145 Å²	145	135.7 Å²	135.7	89%	0.89	80%	0.804	S	S	*	*			trans	79.5	157.8	159.2	54	0	0	0	0	121.7
449	S	26.7	Very low	30.4	Very low	113 Å²	113	140.8 Å²	140.8	79%	0.79	81%	0.809	S	S	*	*			trans	-146.7	-171.9	-169.4	68.5	0	0	0	0	108.9
450	P	42.8	Very low	30.4	Very low	110 Å²	110	141.1 Å²	141.1	71%	0.714	81%	0.807	S	S	*	*			cis	-127.4	-179.2	-24.2	38.8	-23.9	0	0	0	112.7
451	S	29.6	Very low	30.4	Very low	108 Å²	108	140.1 Å²	140.1	76%	0.755	81%	0.81	S	S	*	*				152	141.2	125.4	60.4	0	0	0	0	117
452	L	28.9	Very low	30.2	Very low	178 Å²	178	143.2 Å²	143.2	93%	0.932	81%	0.813	S	S	*	*			trans	36.4	124.8	146.4	-63.6	166.1	0	0	0	122
453	G	28.2	Very low	30.1	Very low	67 Å²	67	140 Å²	140	69%	0.691	80%	0.801	S	S	*	*			trans	158.7	90.5	145.4	0	0	0	0	0	120.7
454	L	29.1	Very low	30.1	Very low	179 Å²	179	137.2 Å²	137.2	94%	0.937	80%	0.802	S	S	*	*			trans	52.4	148	150.8	-69.3	93.1	0	0	0	123.3
455	F	25.3	Very low	29.3	Very low	198 Å²	198	139.8 Å²	139.8	87%	0.868	81%	0.809	S	S	*	*			trans	-74.9	171.9	167.8	-78.8	-80.8	0	0	0	112.4
456	P	41.6	Very low	29.3	Very low	118 Å²	118	140.8 Å²	140.8	77%	0.766	81%	0.806	S	S	*	*			cis	-149.4	178.3	27.4	44.7	-24.6	0	0	0	120.6
457	A	26.3	Very low	29.4	Very low	87 Å²	87	144.4 Å²	144.4	72%	0.719	81%	0.807	S	S	*	*			trans	88.1	150.7	142.8	0	0	0	0	0	123.4
458	S	31.2	Very low	29.3	Very low	107 Å²	107	143.2 Å²	143.2	75%	0.748	81%	0.807	S	S	*	*			trans	70.9	106.2	160.4	39.7	0	0	0	0	122.7
459	E	27.3	Very low	29.3	Very low	178 Å²	178	142.9 Å²	142.9	83%	0.832	80%	0.798	S	S	*	*				63.1	107.1	126.7	-59.7	-170.9	156.3	0	0	123.3
460	T	25.8	Very low	29.3	Very low	128 Å²	128	144.3 Å²	144.3	79%	0.785	80%	0.797	S	S	*	*			trans	49.3	122	135.4	59.8	0	0	0	0	122.2
461	T	29.3	Very low	28.6	Very low	136 Å²	136	145.3 Å²	145.3	83%	0.834	79%	0.792	S	S	*	*				-177.4	122.7	112.5	-74.7	0	0	0	0	113.8
462	Y	25.6	Very low	28.6	Very low	202 Å²	202	149.4 Å²	149.4	79%	0.792	79%	0.792	S	S	*	*			trans	26.2	125.4	148.9	-127.7	-129.5	0	0	0	124.9
463	L	28	Very low	28.7	Very low	129 Å²	129	145 Å²	145	68%	0.675	78%	0.776	S	S	*	*			trans	56.8	117.8	148.5	-69.4	-176.7	0	0	0	123.1
464	S	26.8	Very low	28.6	Very low	121 Å²	121	150.1 Å²	150.1	85%	0.846	79%	0.787	S	S	*	*				-163.8	160.4	120.3	-86.2	0	0	0	0	112.8
465	L	28.5	Very low	28.6	Very low	158 Å²	158	146.6 Å²	146.6	83%	0.827	78%	0.778	S	S	*	*			trans	-84.5	138.6	-175.2	-69.9	68.3	0	0	0	112.6
466	R	27.7	Very low	28.7	Very low	238 Å²	238	140.5 Å²	140.5	90%	0.898	77%	0.77	S	S	*	*				-177.2	158.5	109	-107	-178.1	171.1	-179.2	-3.2	113.6
467	N	30.8	Very low	28.2	Very low	151 Å²	151	142.4 Å²	142.4	81%	0.807	77%	0.772	S	S	*	*			trans	-64.5	143.5	170.4	-48.6	-5.5	0	0	0	110.2
468	N	25.3	Very low	28.4	Very low	157 Å²	157	146.6 Å²	146.6	84%	0.84	78%	0.782	S	S	*	*				-153.7	151.6	111.6	-119.2	-18.3	0	0	0	113.9
469	I	29.8	Very low	28.4	Very low	138 Å²	138	144.8 Å²	144.8	71%	0.708	78%	0.78	S	S	*	*			trans	-78.7	139.5	167.2	-66.7	151.8	0	0	0	107
470	D	28.2	Very low	28.9	Very low	142 Å²	142	141.8 Å²	141.8	76%	0.759	78%	0.776	S	S	*	*				-177.1	168.6	118.2	-105	-43.6	0	0	0	115.7
471	E	28.3	Very low	29.3	Very low	132 Å²	132	141.9 Å²	141.9	62%	0.617	78%	0.779	S	S	*	*			trans	-69.8	167.9	-169.6	-49.4	173.1	113.5	0	0	116.4
472	Y	29.1	Very low	29.4	Very low	193 Å²	193	142.1 Å²	142.1	76%	0.757	78%	0.78	S	S	*	*				161.5	108.8	112.2	-93.7	-85.8	0	0	0	107.7
473	S	29.9	Very low	29.7	Very low	85 Å²	85	138.1 Å²	138.1	59%	0.594	78%	0.781	S	S	*	*				82.8	134.6	56.6	-176.3	0	0	0	0	113.7
474	L	27	Very low	29.7	Very low	176 Å²	176	137.4 Å²	137.4	92%	0.921	79%	0.787	S	S	*	*			trans	-151.4	143.2	160.3	-117.1	177.5	0	0	0	109.9
475	S	28.6	Very low	29.9	Very low	105 Å²	105	138 Å²	138	73%	0.734	79%	0.785	S	S	*	*			trans	-134	160.6	-150.7	-47.9	0	0	0	0	114.3
476	G	28.3	Very low	30	Very low	69 Å²	69	138.1 Å²	138.1	71%	0.711	79%	0.787	S	S	*	*			trans	174.5	140.7	164.8	0	0	0	0	0	111.1
477	I	30.8	Very low	30	Very low	159 Å²	159	130.7 Å²	130.7	82%	0.815	78%	0.784	S	S	*	*	S	Bend	cis	-148.4	129.9	2.8	-51.4	174.6	0	0	0	108.8
478	L	31	Very low	30	Very low	175 Å²	175	131 Å²	131	92%	0.916	79%	0.786	S	S	*	*				171.3	159.1	127.9	-89.1	171	0	0	0	111.5
479	G	30.6	Very low	30.2	Very low	69 Å²	69	134.7 Å²	134.7	71%	0.711	79%	0.79	S	S	*	*			trans	-97.7	-178.6	-161.2	0	0	0	0	0	117.8
480	P	37.3	Very low	30.1	Very low	115 Å²	115	136.5 Å²	136.5	75%	0.747	80%	0.795	S	S	*	*			trans	-106.4	168	-158.3	40.6	-37.1	0	0	0	116.1
481	P	34.5	Very low	29.9	Very low	130 Å²	130	135.1 Å²	135.1	84%	0.844	79%	0.792	S	S	*	*			trans	-79.7	162.7	159.9	35	-34.1	0	0	0	112.5
482	V	31.7	Very low	29.8	Very low	141 Å²	141	135.5 Å²	135.5	86%	0.855	80%	0.798	S	S	*	*			trans	-112.9	152.2	-170.7	-176.9	0	0	0	0	112.1
483	S	30.6	Very low	29.7	Very low	118 Å²	118	132.7 Å²	132.7	83%	0.825	80%	0.796	S	S	*	*			trans	-95.1	138	-175.1	-40.5	0	0	0	0	114.6
484	S	29.5	Very low	29.6	Very low	114 Å²	114	137.4 Å²	137.4	80%	0.797	81%	0.806	S	S	*	*			trans	-176.3	153	163.3	58.3	0	0	0	0	110.7
485	V	31	Very low	29.6	Very low	133 Å²	133	133 Å²	133	81%	0.806	79%	0.79	S	S	*	*			cis	-162.6	164.9	-14.6	128	0	0	0	0	107.8
486	N	29.8	Very low	29.6	Very low	160 Å²	160	134 Å²	134	86%	0.856	79%	0.787	S	S	*	*			trans	-25.6	149	174.4	-56	-1.7	0	0	0	119.6
487	G	27.4	Very low	29.6	Very low	82 Å²	82	137.8 Å²	137.8	85%	0.845	79%	0.791	S	S	*	*			trans	-167.3	117.7	156.7	0	0	0	0	0	112.8
488	N	31.3	Very low	29.5	Very low	158 Å²	158	136 Å²	136	85%	0.845	79%	0.787	S	S	*	*			trans	-136.3	126.7	-178.2	-164.8	52.4	0	0	0	108.6
489	Y	29.3	Very low	29.5	Very low	234 Å²	234	135.3 Å²	135.3	92%	0.918	78%	0.783	S	S	*	*			trans	-172.9	156.4	161.6	-115.3	-75.2	0	0	0	112.4
490	E	27.4	Very low	29.5	Very low	177 Å²	177	136.5 Å²	136.5	83%	0.827	78%	0.781	S	S	*	*			trans	-107.2	-179	178.7	-69.4	-171	110.6	0	0	113.8
491	T	24.3	Very low	29.1	Very low	112 Å²	112	141.5 Å²	141.5	69%	0.687	79%	0.791	S	S	*	*			trans	114.1	94.2	136.4	-50.7	0	0	0	0	119.5
492	D	26.8	Very low	28.9	Very low	140 Å²	140	138.5 Å²	138.5	75%	0.749	78%	0.784	S	S	*	*			trans	69.4	165.7	131.6	-68.8	-17.4	0	0	0	126.4
493	L	27.1	Very low	28.7	Very low	134 Å²	134	138.3 Å²	138.3	70%	0.702	78%	0.783	S	S	*	*			trans	84.8	131.6	164.4	-43.8	-179.1	0	0	0	115.9
494	F	28.1	Very low	28.6	Very low	184 Å²	184	141.8 Å²	141.8	81%	0.807	78%	0.783	S	S	*	*			cis	-170.6	168.2	-2.3	-105.8	-21.1	0	0	0	108
495	S	27.3	Very low	28.5	Very low	84 Å²	84	144.3 Å²	144.3	59%	0.587	78%	0.782	S	S	*	*			cis	-173.9	178.6	-20.7	-166.2	0	0	0	0	110.6
496	N	28.3	Very low	28.2	Very low	127 Å²	127	145.7 Å²	145.7	68%	0.679	78%	0.779	S	S	*	*			trans	81.9	105.2	152.8	-60.7	-10.5	0	0	0	122.9
497	N	28	Very low	28.2	Very low	148 Å²	148	143.8 Å²	143.8	79%	0.791	78%	0.779	S	S	*	*			trans	65.6	151.5	133.6	-51.6	-27.6	0	0	0	119.6
498	V	29.2	Very low	28.4	Very low	120 Å²	120	146.9 Å²	146.9	73%	0.727	78%	0.776	S	S	*	*			cis	-156	130	39.4	169.8	0	0	0	0	112.7
499	L	30.3	Very low	28.2	Very low	161 Å²	161	146.5 Å²	146.5	84%	0.843	77%	0.774	S	S	*	*			trans	49.8	172	153	-59	170	0	0	0	122.4
500	S	29.7	Very low	28.3	Very low	95 Å²	95	138.5 Å²	138.5	66%	0.664	76%	0.763	S	S	*	*				179.2	131.6	-61.5	-95.8	0	0	0	0	113.3
501	K	30.6	Very low	28.3	Very low	220 Å²	220	136 Å²	136	96%	0.957	77%	0.765	S	S	*	*			trans	64.2	165.8	168.5	-54.9	175.3	-179.8	177.7	0	116.7
502	G	28.5	Very low	28.5	Very low	67 Å²	67	140.5 Å²	140.5	69%	0.691	77%	0.771	S	S	*	*			cis	146.6	130.4	-19.3	0	0	0	0	0	117.3
503	V	28.9	Very low	28.5	Very low	137 Å²	137	141.3 Å²	141.3	83%	0.83	76%	0.764	S	S	*	*			trans	90.5	116.6	148.7	-174.7	0	0	0	0	122.7
504	K	28.6	Very low	28.5	Very low	190 Å²	190	140.7 Å²	140.7	83%	0.826	76%	0.758	S	S	*	*			trans	66.1	145.6	146.2	-75.6	178.6	175.1	-170.2	0	127.1
505	Q	25.6	Very low	28.4	Very low	168 Å²	168	137.6 Å²	137.6	79%	0.785	75%	0.746	S	S	*	*			trans	124.1	173.3	131.4	-145.7	131.8	13.2	0	0	119.8
506	E	25.5	Very low	28.5	Very low	161 Å²	161	137.1 Å²	137.1	75%	0.752	74%	0.737	S	S	*	*			trans	-126.2	-166.2	-144.8	-53.7	161.1	90	0	0	116.6
507	S	30.2	Very low	28.4	Very low	121 Å²	121	137.7 Å²	137.7	85%	0.846	74%	0.74	S	S	*	*			trans	95.6	148.8	157.8	74.5	0	0	0	0	119.5
508	N	32	Very low	28.5	Very low	146 Å²	146	135.3 Å²	135.3	78%	0.781	74%	0.735	S	S	*	*			cis	-167.4	-174.6	-22	-169.5	57.1	0	0	0	111.9
509	D	27.3	Very low	28.3	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	74%	0.742	S	S	*	*			trans	96	138.4	163.4	-65.1	-2.5	0	0	0	119.2
510	G	29.9	Very low	28.1	Very low	66 Å²	66	135.3 Å²	135.3	68%	0.68	74%	0.736	S	S	*	*			cis	172.7	153.2	-12.3	0	0	0	0	0	117.3
511	S	28	Very low	27.9	Very low	124 Å²	124	137.3 Å²	137.3	87%	0.867	74%	0.744	S	S	*	*			trans	76.8	168	170.8	83.5	0	0	0	0	118.8
512	Y	27.7	Very low	27.9	Very low	207 Å²	207	132.5 Å²	132.5	81%	0.812	74%	0.738	S	S	*	*			cis	-154.8	-164.6	2.2	-161.1	-116	0	0	0	114.1
513	Y	27.1	Very low	28	Very low	157 Å²	157	133.4 Å²	133.4	62%	0.616	74%	0.74	S	S	*	*			trans	-109.9	-174.5	-174.4	-71.7	-96.7	0	0	0	115.2	T262	T262-Y513 WeakPolarHBondContact OG1-CD1 3.49Å
514	Q	27.5	Very low	28	Very low	121 Å²	121	135.1 Å²	135.1	57%	0.565	74%	0.742	S	S	*	*				166	150.4	-50.4	-167.3	175.8	-16.6	0	0	111.9	T262 S263	T262-Q514 HydrophobicContact CG2-CB 4.33Å; T262-Q514 PolarHBondContact O-NE2 2.87Å; T262-Q514 WeakPolarHBondContact OG1-CB 3.08Å; T262-Q514 WeakPolarHBondContact OG1-CG 3.28Å; T262-Q514 PolarHBondContact OG1-NE2 3Å; T262-Q514 PolarHBondContact OG1-OE1 3.21Å; S263-Q514 VanDerWaalsContact N-NE2 3.18Å
515	E	26.1	Very low	27.9	Very low	119 Å²	119	132.4 Å²	132.4	56%	0.556	74%	0.741	S	S	*	*			trans	141.6	125.2	148.7	-161.1	158	-126.6	0	0	120.5	T262 S263	T262-E515 WeakPolarHBondContact CA-OE1 3.26Å; T262-E515 HydrophobicContact CG2-CB 3.77Å; T262-E515 HydrophobicContact CG2-CG 4.18Å; T262-E515 PolarHBondContact N-OE1 3.36Å; T262-E515 VanDerWaalsContact N-OE1 3.12Å; S263-E515 CarbonylContact O-C 3.58Å; S263-E515 WeakPolarHBondContact O-CA 3.41Å
516	N	28.4	Very low	27.9	Very low	73 Å²	73	127.8 Å²	127.8	39%	0.39	74%	0.739	S	S	.	*			trans	20.7	152.6	139.1	-126.1	-13	0	0	0	122.8	S263 P264	S263-N516 PolarHBondContact O-N 3.22Å; S263-N516 PolarHBondContact OG-ND2 3.11Å; P264-N516 VanDerWaalsContact CD-OD1 3.3Å; P264-N516 WeakPolarHBondContact CD-OD1 3Å; P264-N516 WeakPolarHBondContact CG-OD1 3.42Å
517	N	27.9	Very low	28.1	Very low	139 Å²	139	126 Å²	126	74%	0.743	74%	0.738	S	S	*	*				-169	-164.8	54.1	-150.2	-23	0	0	0	115.8
518	S	28.6	Very low	28.1	Very low	99 Å²	99	127 Å²	127	69%	0.692	74%	0.735	S	S	*	*			trans	-113.6	166.6	-150.8	58	0	0	0	0	120.2
519	M	25.6	Very low	28.2	Very low	179 Å²	179	126.1 Å²	126.1	88%	0.882	74%	0.739	S	S	*	*				158.1	-166.5	123.4	-147.1	153.5	69.5	0	0	115.5
520	S	26.2	Very low	28.2	Very low	102 Å²	102	122.3 Å²	122.3	71%	0.713	74%	0.736	S	S	*	*			trans	-129.8	172.4	-140.5	-41.9	0	0	0	0	119.1
521	T	26.5	Very low	28.1	Very low	137 Å²	137	122.6 Å²	122.6	84%	0.84	74%	0.739	S	S	*	*			trans	132.8	150.3	140.7	-47.5	0	0	0	0	116.4
522	S	29.9	Very low	27.9	Very low	118 Å²	118	126 Å²	126	83%	0.825	74%	0.741	S	S	*	*			trans	-138.5	-175.7	-172	-43.5	0	0	0	0	111.3
523	A	30.8	Very low	27.8	Very low	87 Å²	87	120.6 Å²	120.6	72%	0.719	73%	0.733	S	S	*	*			cis	-162.6	-170.1	7.4	0	0	0	0	0	109.2
524	I	28.1	Very low	27.7	Very low	172 Å²	172	121.9 Å²	121.9	88%	0.882	74%	0.742	S	S	*	*			trans	169.8	151.4	144.9	-88.9	157.5	0	0	0	115.9
525	V	27.7	Very low	27.5	Very low	133 Å²	133	123.5 Å²	123.5	81%	0.806	75%	0.75	S	S	*	*			trans	-34.4	149.2	176.6	-176.9	0	0	0	0	121.8
526	G	25.9	Very low	27.3	Very low	71 Å²	71	127.3 Å²	127.3	73%	0.732	76%	0.76	S	S	*	*			trans	-166.8	153.6	157.4	0	0	0	0	0	112.8
527	V	27.9	Very low	27.2	Very low	123 Å²	123	131.4 Å²	131.4	75%	0.745	78%	0.777	S	S	*	*			trans	-141	142.5	-164.6	-68.7	0	0	0	0	119.1
528	N	31.4	Very low	27.4	Very low	144 Å²	144	132.6 Å²	132.6	77%	0.77	78%	0.781	S	S	*	*			trans	64	146.3	141.8	-65.6	-0.6	0	0	0	125.4
529	S	33.6	Very low	27.3	Very low	126 Å²	126	131.6 Å²	131.6	88%	0.881	79%	0.787	S	S	*	*			trans	89.3	143.6	155.2	-33.7	0	0	0	0	118.4
530	G	26.7	Very low	27.6	Very low	71 Å²	71	127.9 Å²	127.9	73%	0.732	78%	0.784	S	S	*	*			cis	154.3	124.4	-13.1	0	0	0	0	0	115.5
531	G	28.8	Very low	27.8	Very low	72 Å²	72	132.1 Å²	132.1	74%	0.742	79%	0.793	S	S	*	*			trans	78.7	162.9	173.2	0	0	0	0	0	115.6
532	H	24.1	Very low	27.8	Very low	197 Å²	197	129.1 Å²	129.1	91%	0.912	79%	0.79	S	S	*	*			cis	-148	-168.7	2.6	-77.3	-88.8	0	0	0	110.9
533	S	24.7	Very low	27.8	Very low	93 Å²	93	128.7 Å²	128.7	65%	0.65	78%	0.782	S	S	*	*			trans	-150.1	-179.7	-178.7	-150.5	0	0	0	0	110
534	F	25.2	Very low	27.6	Very low	184 Å²	184	132.4 Å²	132.4	81%	0.807	79%	0.787	S	S	*	*			cis	-155.3	-161.5	30.7	-54	-97.1	0	0	0	112.2
535	H	22.6	Very low	27.5	Very low	155 Å²	155	129.4 Å²	129.4	72%	0.718	78%	0.781	S	S	*	*			trans	79.6	147	171.3	-73.7	-59.7	0	0	0	117.9
536	Y	23.1	Very low	27.6	Very low	199 Å²	199	132.8 Å²	132.8	78%	0.78	79%	0.785	S	S	*	*			cis	-154.2	161.5	-3.6	-133.3	-46	0	0	0	111.1
537	Q	26.6	Very low	27.8	Very low	158 Å²	158	135.7 Å²	135.7	74%	0.738	79%	0.789	S	S	*	*			trans	109.4	110.4	137.2	-164.8	162.9	-29.4	0	0	120.4
538	I	32.2	Very low	28	Very low	164 Å²	164	138.2 Å²	138.2	84%	0.841	79%	0.785	S	S	*	*			trans	29.4	116.8	141.3	-51.1	170.7	0	0	0	118.8
539	G	26.6	Very low	27.9	Very low	78 Å²	78	140.1 Å²	140.1	80%	0.804	79%	0.789	S	S	*	*			trans	-156.5	142.6	155.9	0	0	0	0	0	110
540	A	31.4	Very low	27.4	Very low	101 Å²	101	141.5 Å²	141.5	84%	0.835	79%	0.787	S	S	*	*			trans	-117.1	126.5	-175.7	0	0	0	0	0	112.1
541	Q	29.4	Very low	27.5	Very low	191 Å²	191	145.8 Å²	145.8	89%	0.893	79%	0.79	S	S	*	*			trans	-147.7	156.3	151	-74	-153.7	1.5	0	0	109.1
542	G	27.1	Very low	27.6	Very low	75 Å²	75	153.7 Å²	153.7	77%	0.773	80%	0.797	S	S	*	*			trans	-159.9	50.1	-170.5	0	0	0	0	0	113.3
543	T	29.6	Very low	27.7	Very low	109 Å²	109	151.1 Å²	151.1	67%	0.669	79%	0.79	S	S	*	*			trans	-75.7	142.2	165.7	43.3	0	0	0	0	109.8
544	M	27.6	Very low	28.8	Very low	164 Å²	164	151.6 Å²	151.6	81%	0.808	79%	0.791	S	S	*	*			trans	-121	105.6	175.6	-71.3	-81.6	88.5	0	0	109.2
545	S	24.7	Very low	28.8	Very low	110 Å²	110	148.6 Å²	148.6	77%	0.769	79%	0.792	S	S	*	*			trans	-86.7	139.5	173.4	-52	0	0	0	0	109.8
546	F	31.2	Very low	29	Very low	204 Å²	204	148.7 Å²	148.7	90%	0.895	80%	0.798	S	S	*	*			trans	-95.3	130.1	176.4	-64.5	-87	0	0	0	110.8
547	T	30.4	Very low	29.7	Very low	131 Å²	131	144.3 Å²	144.3	80%	0.804	79%	0.794	S	S	*	*			trans	-121.2	146.2	172.4	43.1	0	0	0	0	110.7
548	R	30.3	Very low	29.7	Very low	177 Å²	177	144.6 Å²	144.6	67%	0.668	80%	0.8	S	S	*	*			trans	-85.1	159.2	177.7	-68.7	-174.7	175.2	-173.1	-3.8	111.4	D856	R548-D856 IonicContact CZ-OD1 2.67Å; R548-D856 IonicContact NH1-OD1 3.1Å; R548-D856 PolarHBondContact NH1-OD1 2.93Å; R548-D856 IonicContact NH2-OD1 2.75Å; R548-D856 PolarHBondContact NH2-OD1 3.22Å
549	H	30.4	Very low	29.5	Very low	184 Å²	184	145.4 Å²	145.4	85%	0.852	81%	0.805	S	S	*	*			trans	-125.1	148.3	169.1	-101.8	-77.7	0	0	0	110
550	D	23.6	Very low	29.5	Very low	155 Å²	155	149 Å²	149	83%	0.829	81%	0.806	S	S	*	*			trans	-135.6	172.3	172.2	-141.2	-36.9	0	0	0	110.1
551	M	28.8	Very low	29.3	Very low	161 Å²	161	151.9 Å²	151.9	79%	0.793	81%	0.807	S	S	*	*			trans	-130.1	160.1	-148.8	-88	-75.6	168.4	0	0	118.5
552	R	29.7	Very low	29.2	Very low	237 Å²	237	150.3 Å²	150.3	89%	0.894	80%	0.802	S	S	*	*			trans	82.9	152.7	167.1	-61.3	-169.5	-171.7	-153	3.4	118.6
553	D	26.2	Very low	29.1	Very low	143 Å²	143	151.9 Å²	151.9	77%	0.765	80%	0.802	S	S	*	*			cis	-176.2	-170.4	-31	-146.7	11.4	0	0	0	108
554	P	48.6	Very low	30.1	Very low	104 Å²	104	152.3 Å²	152.3	68%	0.675	81%	0.807	S	S	*	*				-120.6	158.4	-57.4	23.2	-3.9	0	0	0	114.6
555	S	24.3	Very low	30	Very low	120 Å²	120	151.1 Å²	151.1	84%	0.839	81%	0.808	S	S	*	*			trans	-165.3	115.4	140.9	48	0	0	0	0	115.9
556	N	28.6	Very low	30.1	Very low	157 Å²	157	152.7 Å²	152.7	84%	0.84	81%	0.813	S	S	*	*			trans	-10.7	163.9	158.8	-79.8	-34.8	0	0	0	122.4
557	P	37.8	Very low	29.9	Very low	107 Å²	107	147.1 Å²	147.1	70%	0.695	81%	0.805	S	S	*	*			cis	-141.3	-171.3	-28.4	38.3	-19	0	0	0	114.7
558	L	26.5	Very low	29.6	Very low	165 Å²	165	149.1 Å²	149.1	86%	0.864	81%	0.81	S	S	*	*			trans	92.7	81.1	168.7	-61.3	173.5	0	0	0	119
559	L	27.4	Very low	29.3	Very low	180 Å²	180	148.3 Å²	148.3	94%	0.942	82%	0.815	S	S	*	*				-166.2	120	110.8	-102.8	172.1	0	0	0	108.4
560	N	25.8	Very low	29.1	Very low	154 Å²	154	146.9 Å²	146.9	82%	0.824	81%	0.809	S	S	*	*			trans	-154.4	111.8	-173.4	-150.4	-7	0	0	0	111.9
561	L	28.1	Very low	29.2	Very low	162 Å²	162	143.4 Å²	143.4	85%	0.848	80%	0.797	S	S	*	*			trans	166.8	128.9	165.9	-118.2	69.9	0	0	0	104.8
562	I	27.4	Very low	29	Very low	157 Å²	157	147.9 Å²	147.9	81%	0.805	81%	0.805	S	S	*	*			cis	-133.6	156	16.6	-72	166.8	0	0	0	110
563	S	25.3	Very low	28.8	Very low	109 Å²	109	145.8 Å²	145.8	76%	0.762	80%	0.803	S	S	*	*			trans	-96.4	168.9	179.7	-111	0	0	0	0	114.2
564	P	50.4	Low	28.6	Very low	118 Å²	118	144.5 Å²	144.5	77%	0.766	81%	0.805	S	S	*	*			trans	-91.4	177	-174.3	39	-37.5	0	0	0	113.6
565	V	23.9	Very low	27.5	Very low	139 Å²	139	151.3 Å²	151.3	84%	0.842	82%	0.817	S	S	*	*			trans	-164.8	149.3	144.3	128.7	0	0	0	0	111
566	T	28.1	Very low	27.8	Very low	142 Å²	142	152 Å²	152	87%	0.871	82%	0.818	S	S	*	*			trans	-112.4	110	168.5	46.5	0	0	0	0	110.7
567	A	26.4	Very low	27.7	Very low	88 Å²	88	147.8 Å²	147.8	73%	0.727	81%	0.813	S	S	*	*			trans	-175.9	118.8	156.4	0	0	0	0	0	111.4
568	L	24.5	Very low	27.2	Very low	172 Å²	172	151.8 Å²	151.8	90%	0.901	82%	0.824	S	S	*	*				-174.7	139.7	122.6	-141.4	71.7	0	0	0	110.8
569	M	23.8	Very low	27.1	Very low	160 Å²	160	148.5 Å²	148.5	79%	0.788	82%	0.815	S	S	*	*			trans	-142.2	137.3	152.6	-155.1	-171.5	85.9	0	0	108.3
570	E	25.7	Very low	27.2	Very low	154 Å²	154	149.4 Å²	149.4	72%	0.72	82%	0.815	S	S	*	*			trans	141.6	148.5	150.7	-82.8	-81	100.7	0	0	113.1
571	S	25.2	Very low	27.2	Very low	82 Å²	82	145.2 Å²	145.2	57%	0.573	81%	0.807	S	S	*	*			trans	63.3	113	165.2	-160.5	0	0	0	0	118.1
572	W	26.3	Very low	27.1	Very low	256 Å²	256	143 Å²	143	97%	0.97	81%	0.806	S	S	*	*				-147	159.3	101.2	-101.4	21.8	0	0	0	110.2
573	K	24.2	Very low	27.1	Very low	193 Å²	193	143.1 Å²	143.1	84%	0.839	81%	0.807	S	S	*	*			trans	-92	148.8	-156.6	-63.1	177.9	-179.5	178.4	0	113.8
574	S	22.2	Very low	27.2	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	80%	0.804	S	S	*	*			trans	-73.3	154.4	172.6	47	0	0	0	0	113.4
575	R	24.6	Very low	26.2	Very low	247 Å²	247	141.4 Å²	141.4	93%	0.932	80%	0.804	S	S	*	*			trans	-140	155.6	157.7	-81	-164.1	174.8	-140	0.7	110.3
576	P	32.2	Very low	26.4	Very low	133 Å²	133	145.8 Å²	145.8	86%	0.864	81%	0.805	S	S	*	*			trans	-115	160.3	-163.3	40.4	-30.7	0	0	0	116.5
577	G	24.8	Very low	26.3	Very low	70 Å²	70	142.9 Å²	142.9	72%	0.722	79%	0.79	S	S	*	*			trans	155.8	121.1	174.2	0	0	0	0	0	108.5
578	M	28.1	Very low	26.4	Very low	190 Å²	190	146.3 Å²	146.3	94%	0.936	79%	0.791	S	S	*	*				57	127.3	59.6	-127.2	83.2	86.9	0	0	111.9
579	S	25.1	Very low	26.6	Very low	96 Å²	96	141.2 Å²	141.2	67%	0.671	78%	0.78	S	S	*	*			cis	-158.9	149	14.8	56.8	0	0	0	0	114
580	Q	28.3	Very low	26.9	Very low	200 Å²	200	143.2 Å²	143.2	94%	0.935	79%	0.785	S	S	*	*			trans	55.3	151.7	153.6	-63.8	-178.4	4.6	0	0	120.3
581	G	26.4	Very low	27.1	Very low	65 Å²	65	141 Å²	141	67%	0.67	79%	0.786	S	S	*	*			cis	167.2	170.7	-5.7	0	0	0	0	0	112.9
582	S	26.9	Very low	27.2	Very low	116 Å²	116	141 Å²	141	81%	0.811	80%	0.799	S	S	*	*			trans	64.2	146.2	175	-68.3	0	0	0	0	117.1
583	L	27.5	Very low	27.4	Very low	159 Å²	159	136.9 Å²	136.9	83%	0.832	79%	0.791	S	S	*	*			cis	-160.2	163.4	-8.2	-101.9	164.8	0	0	0	105
584	S	27.1	Very low	27.7	Very low	101 Å²	101	135 Å²	135	71%	0.706	79%	0.79	S	S	*	*			cis	-160.9	167.3	14.6	-165.3	0	0	0	0	111.1
585	A	29.7	Very low	28	Very low	91 Å²	91	135.4 Å²	135.4	75%	0.752	79%	0.791	S	S	*	*			trans	66	135.2	155.2	0	0	0	0	0	120.3
586	R	28.2	Very low	28.3	Very low	231 Å²	231	131.5 Å²	131.5	87%	0.872	79%	0.787	S	S	*	*			cis	-166.7	137.3	-12.6	-161	173.9	-169.5	165.4	3.2	110.5
587	S	26.1	Very low	28.2	Very low	80 Å²	80	129.8 Å²	129.8	56%	0.559	78%	0.784	S	S	*	*			trans	42.6	121.8	158.6	-61.2	0	0	0	0	120.7
588	E	28.3	Very low	28.8	Very low	161 Å²	161	133.4 Å²	133.4	75%	0.752	79%	0.787	S	S	*	*				62.3	130.7	75.5	-56.9	153.6	126.9	0	0	112.8
589	G	27.6	Very low	29.2	Very low	64 Å²	64	129.3 Å²	129.3	66%	0.66	78%	0.777	S	S	*	*			cis	99.1	106.8	6.5	0	0	0	0	0	112.5
590	F	31.3	Very low	29.9	Very low	203 Å²	203	133 Å²	133	89%	0.89	79%	0.786	S	S	*	*			trans	-161.3	165.7	168	-105.7	-63.9	0	0	0	114.7
591	S	28.9	Very low	30	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	78%	0.784	S	S	*	*			trans	-75.3	165.2	-165.5	-42.7	0	0	0	0	116.9
592	G	27.5	Very low	30.4	Very low	83 Å²	83	131.9 Å²	131.9	86%	0.856	79%	0.79	S	S	*	*			trans	-108.3	97.9	165	0	0	0	0	0	112.2
593	Q	31.1	Very low	30.6	Very low	168 Å²	168	132.6 Å²	132.6	79%	0.785	80%	0.795	S	S	*	*			trans	-99.1	145.4	173.7	-172.2	65.2	12.6	0	0	110.6
594	N	29.9	Very low	31.1	Very low	155 Å²	155	129.6 Å²	129.6	83%	0.829	79%	0.793	S	S	*	*			trans	-75.2	147.3	177	-70.4	-41.5	0	0	0	112.6
595	C	29.1	Very low	31.4	Very low	123 Å²	123	133.4 Å²	133.4	83%	0.831	80%	0.804	S	S	*	*			trans	-138.7	122.2	171.6	-55.4	0	0	0	0	111.9
596	I	29.5	Very low	31.7	Very low	165 Å²	165	140.4 Å²	140.4	85%	0.846	81%	0.812	S	S	*	*			trans	-139.9	131.1	158.4	-63.1	-177.7	0	0	0	107.9
597	A	31.6	Very low	31.9	Very low	98 Å²	98	138.5 Å²	138.5	81%	0.81	81%	0.812	S	S	*	*			trans	-161.5	160.5	162.3	0	0	0	0	0	108.4
598	D	36.1	Very low	32.8	Very low	145 Å²	145	140.4 Å²	140.4	78%	0.775	82%	0.823	S	S	*	*			trans	-112.6	159	-155.2	-81.5	-71.3	0	0	0	117.8
599	S	37.6	Very low	33.4	Very low	104 Å²	104	138.2 Å²	138.2	73%	0.727	83%	0.826	S	S	*	*			trans	50.2	105.6	146.4	-63.3	0	0	0	0	123.2
600	M	38.7	Very low	34.4	Very low	175 Å²	175	140.7 Å²	140.7	86%	0.862	83%	0.833	S	S	*	*				50	113.3	121.4	-70.5	-67.3	177.7	0	0	122
601	S	30.1	Very low	35.5	Very low	128 Å²	128	137.2 Å²	137.2	90%	0.895	83%	0.828	S	S	*	*				-161	167.1	116.3	-85.9	0	0	0	0	111.6
602	S	36.2	Very low	37.5	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	82%	0.817	S	S	*	*			trans	-117.4	135.4	-155.8	56.3	0	0	0	0	116.4
603	S	30.9	Very low	40.3	Very low	131 Å²	131	138.4 Å²	138.4	92%	0.916	81%	0.808	S	S	*	*			trans	-166.7	163.3	135.8	-86.9	0	0	0	0	111.1
604	A	37.9	Very low	43.3	Very low	97 Å²	97	134.4 Å²	134.4	80%	0.802	80%	0.795	S	S	*	*			trans	-103.4	144.3	-163.1	0	0	0	0	0	114.8
605	L	32.6	Very low	46.6	Very low	180 Å²	180	127.1 Å²	127.1	94%	0.942	76%	0.756	S	S	*	*			trans	-157.2	151.8	142.4	-106.3	161.7	0	0	0	108.9
606	R	36	Very low	49.7	Very low	239 Å²	239	126.5 Å²	126.5	90%	0.902	74%	0.744	S	S	*	*			trans	-99.3	134	-170.7	-70	-177.7	171.8	-159.4	-0.4	112.6
607	Q	33.3	Very low	52.9	Low	190 Å²	190	118.7 Å²	118.7	89%	0.888	70%	0.704	S	S	*	*			trans	-153.8	159.7	133.4	-83.1	-137.7	-0.8	0	0	110.9
608	P	44.7	Very low	56	Low	120 Å²	120	114 Å²	114	78%	0.779	67%	0.666	S	S	*	*			trans	-119.5	112	-161.4	35.6	-19.4	0	0	0	114.8
609	S	40.8	Very low	58.8	Low	116 Å²	116	109.8 Å²	109.8	81%	0.811	66%	0.656	S	S	*	*			trans	-153.2	33.7	170	58.5	0	0	0	0	114.2	T611	S609-T611 PolarHBondContact O-N 2.87Å; S609-T611 VanDerWaalsContact O-N 3.15Å
610	S	47.7	Very low	61.6	Low	116 Å²	116	105.8 Å²	105.8	81%	0.811	63%	0.627	S	S	*	*			trans	-64.3	114.9	173.9	57.2	0	0	0	0	111.1	A612	S610-A612 PolarHBondContact O-N 3.26Å
611	T	56.2	Low	64.4	Low	129 Å²	129	104 Å²	104	79%	0.791	62%	0.616	S	S	*	*			trans	-63.7	102.2	171.2	46.4	0	0	0	0	109.6	S609 K613	S609-T611 PolarHBondContact O-N 2.87Å; S609-T611 VanDerWaalsContact O-N 3.15Å; T611-K613 PolarHBondContact O-N 3.48Å; T611-K613 VanDerWaalsContact O-N 3.09Å
612	A	70.3	Confident	67.5	Low	63 Å²	63	98.7 Å²	98.7	52%	0.521	58%	0.579	S	S	.	*			trans	-60.5	115.8	-175.1	0	0	0	0	0	110.4	S610 V614	S610-A612 PolarHBondContact O-N 3.26Å; A612-V614 PolarHBondContact O-N 3.27Å
613	K	85.5	Confident	70.3	Confident	153 Å²	153	96.9 Å²	96.9	67%	0.665	57%	0.567	S	S	*	*			trans	-66	134.3	-179.4	-64.8	-176.3	-179.8	-178.6	0	108.9	T611 A622 V630	T611-K613 PolarHBondContact O-N 3.48Å; T611-K613 VanDerWaalsContact O-N 3.09Å; K613-A622 HydrophobicContact CB-CB 4.29Å; K613-A622 WeakPolarHBondContact O-CA 3.41Å; K613-A622 WeakPolarHBondContact O-CB 3.45Å; K613-A622 PolarHBondContact O-N 3.04Å; K613-V630 HydrophobicContact CB-CG1 4.16Å
614	V	95.6	Very high	73.2	Confident	84 Å²	84	92.1 Å²	92.1	51%	0.509	54%	0.538	S	S	.	.	B	Isolated β-bridge	trans	-100.7	139.5	-173	-179.4	0	0	0	0	111.2	A612 L616	A612-V614 PolarHBondContact O-N 3.27Å; V614-L616 PolarHBondContact O-N 3.41Å
615	C	97.3	Very high	75.8	Confident	1 Å²	1	91.4 Å²	91.4	1%	0.007	53%	0.527	C	S	.	.			trans	-70.8	110.7	179.6	174.6	0	0	0	0	111.2	V617 C618 G619 D620 A622 C632	C615-V617 PolarHBondContact O-N 3.22Å; C615-C618 PolarHBondContact O-N 3.35Å; C615-G619 PolarHBondContact O-N 2.96Å; C615-D620 WeakPolarHBondContact CB-O 3.38Å; C615-D620 PolarHBondContact N-O 3.11Å; C615-A622 HydrophobicContact CB-CB 4.46Å; C615-C632 HydrophobicContact CB-CB 3.89Å; C615-C632 PolarHBondContact SG-N 3.31Å; C615-C632 VanDerWaalsContact SG-SG 3.67Å
616	L	95.4	Very high	78.7	Confident	111 Å²	111	84.1 Å²	84.1	58%	0.581	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.5	-176.5	-59.1	179.9	0	0	0	113.5	V614 V629 V630	V614-L616 PolarHBondContact O-N 3.41Å; L616-V629 HydrophobicContact CB-CG1 4.26Å; L616-V629 HydrophobicContact CD1-CG1 3.98Å; L616-V630 HydrophobicContact CG-CB 4.48Å; L616-V630 PolarHBondContact N-O 2.73Å; L616-V630 VanDerWaalsContact N-O 3.11Å
617	V	97.3	Very high	81.5	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-37.7	176.5	179.5	0	0	0	0	112.8	C615 T631 C635 I659 K674 C675 A678 M680	C615-V617 PolarHBondContact O-N 3.22Å; V617-T631 HydrophobicContact CG2-CG2 3.88Å; V617-C635 HydrophobicContact CB-CB 4.46Å; V617-I659 HydrophobicContact CG1-CG2 4.31Å; V617-I659 WeakPolarHBondContact O-CG2 3.05Å; V617-K674 HydrophobicContact CG1-CB 4.45Å; V617-K674 HydrophobicContact CG1-CG 4.47Å; V617-K674 VanDerWaalsContact O-CD 3.23Å; V617-K674 WeakPolarHBondContact O-CD 3.19Å; V617-K674 WeakPolarHBondContact O-CE 3.09Å; V617-K674 PolarHBondContact O-NZ 3.2Å; V617-C675 HydrophobicContact CG2-CB 4.49Å; V617-A678 HydrophobicContact CG2-CB 4.07Å; V617-M680 HydrophobicContact CG2-SD 3.97Å
618	C	96.8	Very high	84.2	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.007	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	12.5	-166.8	77.2	0	0	0	0	117.1	C615 D620 C632 C635 I659 D660 K661 R664	C615-C618 PolarHBondContact O-N 3.35Å; C618-D620 PolarHBondContact O-N 3.46Å; C618-C632 VanDerWaalsContact SG-SG 3.65Å; C618-C635 VanDerWaalsContact SG-SG 3.67Å; C618-I659 HydrophobicContact CB-CG2 3.92Å; C618-D660 CarbonylContact O-C 3.52Å; C618-D660 VanDerWaalsContact O-CA 3.23Å; C618-D660 WeakPolarHBondContact O-CA 3.31Å; C618-K661 PolarHBondContact O-N 3.11Å; C618-R664 HydrophobicContact CB-CB 4.42Å; C618-R664 PolarHBondContact SG-NH1 3.02Å
619	G	95.1	Very high	86.5	Confident	56 Å²	56	63.9 Å²	63.9	58%	0.577	41%	0.407	S	S	*	.	S	Bend	trans	66.3	5.4	176.2	0	0	0	0	0	115.7	C615	C615-G619 PolarHBondContact O-N 2.96Å
620	D	96.3	Very high	89.1	Confident	20 Å²	20	60.7 Å²	60.7	11%	0.107	38%	0.383	C	S	.	.	S	Bend	trans	-82.4	166.1	174.4	-165.5	15.4	0	0	0	110.6	C615 C618 A622 C632 K661 R664	C615-D620 WeakPolarHBondContact CB-O 3.38Å; C615-D620 PolarHBondContact N-O 3.11Å; C618-D620 PolarHBondContact O-N 3.46Å; D620-A622 PolarHBondContact O-N 2.83Å; D620-C632 HydrophobicContact CB-CB 4.08Å; D620-K661 HydrophobicContact CB-CB 4.17Å; D620-K661 HydrophobicContact CB-CD 4.25Å; D620-K661 HydrophobicContact CB-CG 4.07Å; D620-K661 WeakPolarHBondContact OD1-CD 3.46Å; D620-K661 WeakPolarHBondContact OD1-CE 3.48Å; D620-K661 IonicContact OD1-NZ 2.9Å; D620-K661 PolarHBondContact OD1-NZ 3.23Å; D620-R664 IonicContact OD2-CZ 3.56Å; D620-R664 IonicContact OD2-NH1 2.71Å; D620-R664 PolarHBondContact OD2-NH1 3.28Å; D620-R664 IonicContact OD2-NH2 2.65Å; D620-R664 PolarHBondContact OD2-NH2 3.02Å
621	E	96.7	Very high	91.4	Very high	138 Å²	138	55.2 Å²	55.2	65%	0.645	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-60.9	127.8	177.9	-169.6	174.6	-175.8	0	0	111.3	C632	E621-C632 WeakPolarHBondContact O-CA 3.23Å; E621-C632 WeakPolarHBondContact O-CB 3.48Å
622	A	95.8	Very high	93.4	Very high	15 Å²	15	49.1 Å²	49.1	12%	0.124	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-87.5	124.2	-178	0	0	0	0	0	111.3	K613 C615 D620 G624 V630 T631	K613-A622 HydrophobicContact CB-CB 4.29Å; K613-A622 WeakPolarHBondContact O-CA 3.41Å; K613-A622 WeakPolarHBondContact O-CB 3.45Å; K613-A622 PolarHBondContact O-N 3.04Å; C615-A622 HydrophobicContact CB-CB 4.46Å; D620-A622 PolarHBondContact O-N 2.83Å; A622-G624 PolarHBondContact O-N 2.92Å; A622-V630 HydrophobicContact CB-CG1 3.53Å; A622-T631 WeakPolarHBondContact CA-O 3.44Å
623	S	94.2	Very high	94.7	Very high	75 Å²	75	47.6 Å²	47.6	52%	0.524	30%	0.297	S	S	.	.			trans	-87.7	27	176.4	61.1	0	0	0	0	112.6	H626 T631 G633	S623-H626 PolarHBondContact O-CE1 3.07Å; S623-H626 PolarHBondContact O-NE2 3.37Å; S623-H626 VanDerWaalsContact O-NE2 3.14Å; S623-H626 PolarHBondContact OG-NE2 3.47Å; S623-T631 PolarHBondContact N-O 2.78Å; S623-T631 VanDerWaalsContact N-O 3.08Å; S623-G633 PolarHBondContact OG-N 3.43Å; S623-G633 VanDerWaalsContact OG-N 3.16Å
624	G	91.7	Very high	95.2	Very high	30 Å²	30	42.6 Å²	42.6	31%	0.309	28%	0.281	S	S	.	.	S	Bend	trans	117.7	-170.5	-179.8	0	0	0	0	0	114.8	A622 T631	A622-G624 PolarHBondContact O-N 2.92Å; G624-T631 PolarHBondContact O-N 2.67Å
625	C	93.1	Very high	95.3	Very high	83 Å²	83	38.6 Å²	38.6	56%	0.561	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.3	170.4	-178.6	0	0	0	0	109.4	V629	C625-V629 WeakPolarHBondContact CA-O 3.23Å; C625-V629 PolarHBondContact SG-N 3.45Å; C625-V629 VanDerWaalsContact SG-N 3.39Å
626	H	94.3	Very high	95.2	Very high	26 Å²	26	42.3 Å²	42.3	12%	0.12	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.3	174.3	-49.4	-77.9	0	0	0	108.5	S623 G628 V629 T631 K636	S623-H626 PolarHBondContact O-CE1 3.07Å; S623-H626 PolarHBondContact O-NE2 3.37Å; S623-H626 VanDerWaalsContact O-NE2 3.14Å; S623-H626 PolarHBondContact OG-NE2 3.47Å; H626-G628 PolarHBondContact O-N 3.21Å; H626-G628 VanDerWaalsContact O-N 3.17Å; H626-V629 PolarHBondContact N-O 2.99Å; H626-V629 PolarHBondContact O-N 3.46Å; H626-V629 VanDerWaalsContact O-O 3.1Å; H626-T631 PolarHBondContact CD2-O 3.32Å; H626-T631 PolarHBondContact CD2-OG1 2.75Å; H626-K636 HydrophobicContact CB-CB 4Å; H626-K636 HydrophobicContact CB-CD 4.23Å; H626-K636 HydrophobicContact CB-CG 3.88Å; H626-K636 PolarHBondContact CE1-NZ 3.26Å; H626-K636 WeakPolarHBondContact ND1-CD 3.43Å; H626-K636 WeakPolarHBondContact ND1-CE 3.47Å; H626-K636 PolarHBondContact ND1-NZ 2.97Å
627	Y	94	Very high	95.3	Very high	59 Å²	59	40.2 Å²	40.2	23%	0.231	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	27.9	179.6	-55.5	-67	0	0	0	114.5	K636 F639 K640 M680 N681 L682	Y627-K636 HydrophobicContact CD2-CG 4.42Å; Y627-K636 HydrophobicContact CE2-CB 4.49Å; Y627-K636 HydrophobicContact CE2-CG 3.75Å; Y627-F639 HydrophobicContact CD1-CD1 4.39Å; Y627-F639 HydrophobicContact CD1-CE1 4.43Å; Y627-F639 AromaticContact CD2-CD1 3.73Å; Y627-F639 HydrophobicContact CD2-CD1 3.73Å; Y627-F639 HydrophobicContact CD2-CE1 4.46Å; Y627-F639 HydrophobicContact CE2-CD1 4.25Å; Y627-F639 AromaticContact CG-CD1 3.8Å; Y627-F639 HydrophobicContact CG-CD1 3.8Å; Y627-F639 HydrophobicContact CG-CE1 4.07Å; Y627-K640 HydrophobicContact CE2-CB 4.46Å; Y627-K640 WeakPolarHBondContact OH-CB 3.14Å; Y627-M680 HydrophobicContact CD2-CE 3.69Å; Y627-M680 HydrophobicContact CG-CE 4.31Å; Y627-M680 WeakPolarHBondContact O-CA 3.28Å; Y627-N681 VanDerWaalsContact CB-O 3.31Å; Y627-N681 WeakPolarHBondContact CB-O 3.31Å; Y627-N681 WeakPolarHBondContact CD1-O 3.41Å; Y627-N681 PolarHBondContact O-N 3.29Å; Y627-L682 HydrophobicContact CD1-CD2 3.62Å; Y627-L682 HydrophobicContact CE1-CD2 3.37Å; Y627-L682 HydrophobicContact CG-CD2 4.44Å
628	G	88.8	Confident	95.2	Very high	58 Å²	58	41.7 Å²	41.7	60%	0.598	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-6.4	-177.3	0	0	0	0	0	115.2	H626	H626-G628 PolarHBondContact O-N 3.21Å; H626-G628 VanDerWaalsContact O-N 3.17Å
629	V	93.8	Very high	95.2	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.5	-168.1	-168.8	0	0	0	0	112.6	L616 C625 H626 T631 A678 M680	L616-V629 HydrophobicContact CB-CG1 4.26Å; L616-V629 HydrophobicContact CD1-CG1 3.98Å; C625-V629 WeakPolarHBondContact CA-O 3.23Å; C625-V629 PolarHBondContact SG-N 3.45Å; C625-V629 VanDerWaalsContact SG-N 3.39Å; H626-V629 PolarHBondContact N-O 2.99Å; H626-V629 PolarHBondContact O-N 3.46Å; H626-V629 VanDerWaalsContact O-O 3.1Å; V629-T631 HydrophobicContact CB-CG2 4.08Å; V629-T631 HydrophobicContact CG1-CG2 3.92Å; V629-T631 PolarHBondContact O-N 3.3Å; V629-T631 VanDerWaalsContact O-N 3.08Å; V629-T631 PolarHBondContact O-OG1 2.69Å; V629-A678 HydrophobicContact CG1-CB 3.96Å; V629-A678 WeakPolarHBondContact CG1-O 3.45Å; V629-A678 WeakPolarHBondContact CG2-O 3.41Å; V629-M680 HydrophobicContact CB-CG 3.75Å; V629-M680 HydrophobicContact CG1-CG 4.42Å; V629-M680 HydrophobicContact CG2-CB 4.2Å; V629-M680 HydrophobicContact CG2-CG 3.46Å; V629-M680 VanDerWaalsContact CG2-CG 3.46Å; V629-M680 VanDerWaalsContact CG2-N 3.34Å
630	V	95	Very high	95.1	Very high	50 Å²	50	43.5 Å²	43.5	30%	0.303	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	108.1	172.9	179.4	0	0	0	0	110	K613 L616 A622	K613-V630 HydrophobicContact CB-CG1 4.16Å; L616-V630 HydrophobicContact CG-CB 4.48Å; L616-V630 PolarHBondContact N-O 2.73Å; L616-V630 VanDerWaalsContact N-O 3.11Å; A622-V630 HydrophobicContact CB-CG1 3.53Å
631	T	97.3	Very high	95	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.289	C	S	.	.			trans	-146.3	153.8	-168.9	47.9	0	0	0	0	113.9	V617 A622 S623 G624 H626 V629 M680	V617-T631 HydrophobicContact CG2-CG2 3.88Å; A622-T631 WeakPolarHBondContact CA-O 3.44Å; S623-T631 PolarHBondContact N-O 2.78Å; S623-T631 VanDerWaalsContact N-O 3.08Å; G624-T631 PolarHBondContact O-N 2.67Å; H626-T631 PolarHBondContact CD2-O 3.32Å; H626-T631 PolarHBondContact CD2-OG1 2.75Å; V629-T631 HydrophobicContact CB-CG2 4.08Å; V629-T631 HydrophobicContact CG1-CG2 3.92Å; V629-T631 PolarHBondContact O-N 3.3Å; V629-T631 VanDerWaalsContact O-N 3.08Å; V629-T631 PolarHBondContact O-OG1 2.69Å; T631-M680 HydrophobicContact CG2-CE 4.23Å; T631-M680 HydrophobicContact CG2-SD 3.9Å
632	C	97.6	Very high	94.8	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.014	26%	0.263	C	S	.	.			trans	-74.2	154	172.2	72.8	0	0	0	0	111.5	C615 C618 D620 E621 S634 C635 K636 R664	C615-C632 HydrophobicContact CB-CB 3.89Å; C615-C632 PolarHBondContact SG-N 3.31Å; C615-C632 VanDerWaalsContact SG-SG 3.67Å; C618-C632 VanDerWaalsContact SG-SG 3.65Å; D620-C632 HydrophobicContact CB-CB 4.08Å; E621-C632 WeakPolarHBondContact O-CA 3.23Å; E621-C632 WeakPolarHBondContact O-CB 3.48Å; C632-S634 PolarHBondContact O-N 3.24Å; C632-S634 VanDerWaalsContact O-N 3.1Å; C632-S634 PolarHBondContact SG-OG 2.83Å; C632-C635 PolarHBondContact O-N 2.87Å; C632-C635 PolarHBondContact SG-N 3.46Å; C632-K636 PolarHBondContact O-N 2.95Å; C632-K636 VanDerWaalsContact O-N 3.1Å; C632-R664 PolarHBondContact SG-NH1 2.88Å
633	G	96.7	Very high	94.3	Very high	31 Å²	31	47.2 Å²	47.2	32%	0.32	28%	0.277	S	S	.	.	H	α-helix	trans	-55.1	-31.7	179.6	0	0	0	0	0	114.3	S623 K636 V637	S623-G633 PolarHBondContact OG-N 3.43Å; S623-G633 VanDerWaalsContact OG-N 3.16Å; G633-K636 WeakPolarHBondContact O-CB 3.47Å; G633-K636 PolarHBondContact O-N 2.77Å; G633-V637 WeakPolarHBondContact O-CG2 3.33Å; G633-V637 PolarHBondContact O-N 2.86Å; G633-V637 VanDerWaalsContact O-N 3.11Å
634	S	96.5	Very high	93.9	Very high	47 Å²	47	49.2 Å²	49.2	33%	0.329	28%	0.278	S	S	.	.	H	α-helix	trans	-72	-32.2	176.7	87	0	0	0	0	113.1	C632 F638 R664 R671	C632-S634 PolarHBondContact O-N 3.24Å; C632-S634 VanDerWaalsContact O-N 3.1Å; C632-S634 PolarHBondContact SG-OG 2.83Å; S634-F638 WeakPolarHBondContact O-CB 3.46Å; S634-F638 PolarHBondContact O-N 3.49Å; S634-R664 PolarHBondContact OG-NH1 3.37Å; S634-R671 VanDerWaalsContact C-NH2 3.28Å; S634-R671 PolarHBondContact O-NH2 2.91Å; S634-R671 PolarHBondContact OG-NH2 2.98Å
635	C	97.6	Very high	93.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-75.4	-35.2	174.4	-72.5	0	0	0	0	111.9	V617 C618 C632 F639 R671	V617-C635 HydrophobicContact CB-CB 4.46Å; C618-C635 VanDerWaalsContact SG-SG 3.67Å; C632-C635 PolarHBondContact O-N 2.87Å; C632-C635 PolarHBondContact SG-N 3.46Å; C635-F639 VanDerWaalsContact O-CB 3.23Å; C635-F639 WeakPolarHBondContact O-CB 3.36Å; C635-F639 PolarHBondContact O-N 3.12Å; C635-R671 PolarHBondContact SG-NH2 3.08Å
636	K	96.4	Very high	91.6	Very high	79 Å²	79	53.9 Å²	53.9	34%	0.343	29%	0.289	S	S	.	.	H	α-helix	trans	-53.3	-58.9	168.3	175.7	-168.5	-166	149.2	0	111.5	H626 Y627 C632 G633 F638 F639 K640	H626-K636 HydrophobicContact CB-CB 4Å; H626-K636 HydrophobicContact CB-CD 4.23Å; H626-K636 HydrophobicContact CB-CG 3.88Å; H626-K636 PolarHBondContact CE1-NZ 3.26Å; H626-K636 WeakPolarHBondContact ND1-CD 3.43Å; H626-K636 WeakPolarHBondContact ND1-CE 3.47Å; H626-K636 PolarHBondContact ND1-NZ 2.97Å; Y627-K636 HydrophobicContact CD2-CG 4.42Å; Y627-K636 HydrophobicContact CE2-CB 4.49Å; Y627-K636 HydrophobicContact CE2-CG 3.75Å; C632-K636 PolarHBondContact O-N 2.95Å; C632-K636 VanDerWaalsContact O-N 3.1Å; G633-K636 WeakPolarHBondContact O-CB 3.47Å; G633-K636 PolarHBondContact O-N 2.77Å; K636-F638 PolarHBondContact O-N 3.11Å; K636-F639 PolarHBondContact O-N 3.3Å; K636-K640 PolarHBondContact O-N 3.04Å; K636-K640 VanDerWaalsContact O-N 3.08Å
637	V	96	Very high	90.6	Very high	68 Å²	68	58 Å²	58	41%	0.412	31%	0.308	S	S	.	.	H	α-helix	trans	-68	-37.4	-175.2	176.3	0	0	0	0	111.5	G633 R641	G633-V637 WeakPolarHBondContact O-CG2 3.33Å; G633-V637 PolarHBondContact O-N 2.86Å; G633-V637 VanDerWaalsContact O-N 3.11Å; V637-R641 WeakPolarHBondContact O-CG 3.18Å; V637-R641 PolarHBondContact O-N 2.92Å
638	F	96.8	Very high	89.8	Confident	30 Å²	30	62.5 Å²	62.5	13%	0.132	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-50.8	173.2	172.9	-95.3	0	0	0	111.8	S634 K636 K640 R641 A642 Y649 P668 R671 V672	S634-F638 WeakPolarHBondContact O-CB 3.46Å; S634-F638 PolarHBondContact O-N 3.49Å; K636-F638 PolarHBondContact O-N 3.11Å; F638-K640 VanDerWaalsContact C-N 3.35Å; F638-K640 PolarHBondContact O-N 3.06Å; F638-R641 PolarHBondContact O-N 3.34Å; F638-A642 HydrophobicContact CE1-CB 4.1Å; F638-A642 HydrophobicContact CE2-CB 4.47Å; F638-A642 HydrophobicContact CZ-CB 4.07Å; F638-A642 WeakPolarHBondContact O-CB 3.47Å; F638-A642 PolarHBondContact O-N 3Å; F638-Y649 HydrophobicContact CZ-CE2 4.45Å; F638-P668 HydrophobicContact CE2-CB 4.14Å; F638-P668 HydrophobicContact CZ-CB 4.25Å; F638-P668 WeakPolarHBondContact CZ-O 3.46Å; F638-R671 HydrophobicContact CD1-CB 4.48Å; F638-R671 HydrophobicContact CD1-CG 3.74Å; F638-R671 HydrophobicContact CE1-CB 3.79Å; F638-R671 HydrophobicContact CE1-CG 3.52Å; F638-R671 HydrophobicContact CG-CG 4.46Å; F638-R671 HydrophobicContact CZ-CB 3.95Å; F638-R671 HydrophobicContact CZ-CG 4.08Å; F638-V672 HydrophobicContact CE1-CB 3.84Å; F638-V672 HydrophobicContact CZ-CB 4.07Å
639	F	95.8	Very high	89.8	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-60.6	-43.1	-178.6	-177.9	-106	0	0	0	112.2	Y627 C635 K636 R641 A642 V643 C675 L676 M680 L682	Y627-F639 HydrophobicContact CD1-CD1 4.39Å; Y627-F639 HydrophobicContact CD1-CE1 4.43Å; Y627-F639 AromaticContact CD2-CD1 3.73Å; Y627-F639 HydrophobicContact CD2-CD1 3.73Å; Y627-F639 HydrophobicContact CD2-CE1 4.46Å; Y627-F639 HydrophobicContact CE2-CD1 4.25Å; Y627-F639 AromaticContact CG-CD1 3.8Å; Y627-F639 HydrophobicContact CG-CD1 3.8Å; Y627-F639 HydrophobicContact CG-CE1 4.07Å; C635-F639 VanDerWaalsContact O-CB 3.23Å; C635-F639 WeakPolarHBondContact O-CB 3.36Å; C635-F639 PolarHBondContact O-N 3.12Å; K636-F639 PolarHBondContact O-N 3.3Å; F639-R641 PolarHBondContact O-N 3.11Å; F639-A642 PolarHBondContact O-N 3.05Å; F639-V643 HydrophobicContact CD2-CG2 4.05Å; F639-V643 HydrophobicContact CE1-CG2 4.42Å; F639-V643 HydrophobicContact CE2-CG2 3.64Å; F639-V643 HydrophobicContact CZ-CG2 3.84Å; F639-V643 PolarHBondContact O-N 3.3Å; F639-C675 HydrophobicContact CB-CB 4.48Å; F639-C675 HydrophobicContact CD2-CB 3.46Å; F639-C675 VanDerWaalsContact CD2-CB 3.46Å; F639-C675 HydrophobicContact CE2-CB 4.05Å; F639-C675 HydrophobicContact CG-CB 4.27Å; F639-L676 HydrophobicContact CE2-CD2 3.76Å; F639-L676 HydrophobicContact CE2-CG 4.15Å; F639-L676 HydrophobicContact CZ-CD2 4.1Å; F639-M680 HydrophobicContact CB-CE 3.62Å; F639-M680 HydrophobicContact CB-SD 4.21Å; F639-M680 HydrophobicContact CD1-CB 4Å; F639-M680 HydrophobicContact CD1-CE 3.88Å; F639-M680 HydrophobicContact CD2-CB 4.02Å; F639-M680 HydrophobicContact CD2-SD 4.41Å; F639-M680 HydrophobicContact CE1-CB 3.78Å; F639-M680 HydrophobicContact CE2-CB 3.8Å; F639-M680 HydrophobicContact CG-CB 4.11Å; F639-M680 HydrophobicContact CG-CE 3.76Å; F639-M680 HydrophobicContact CG-SD 4.17Å; F639-M680 VanDerWaalsContact CZ-C 3.45Å; F639-M680 HydrophobicContact CZ-CB 3.68Å; F639-M680 WeakPolarHBondContact CZ-O 3.3Å; F639-L682 HydrophobicContact CD1-CD2 4.11Å; F639-L682 HydrophobicContact CE1-CD2 3.8Å; F639-L682 HydrophobicContact CE1-CG 4.17Å
640	K	93.8	Very high	89.7	Confident	93 Å²	93	70.6 Å²	70.6	40%	0.404	36%	0.36	S	S	.	.	H	α-helix	trans	-53.1	-56.4	174.1	-169.6	-178.6	175.8	-177.1	0	111.2	Y627 K636 F638 A642 V643 E644	Y627-K640 HydrophobicContact CE2-CB 4.46Å; Y627-K640 WeakPolarHBondContact OH-CB 3.14Å; K636-K640 PolarHBondContact O-N 3.04Å; K636-K640 VanDerWaalsContact O-N 3.08Å; F638-K640 VanDerWaalsContact C-N 3.35Å; F638-K640 PolarHBondContact O-N 3.06Å; K640-A642 VanDerWaalsContact C-N 3.3Å; K640-A642 PolarHBondContact O-N 3.33Å; K640-V643 PolarHBondContact O-N 2.84Å; K640-E644 WeakPolarHBondContact CE-OE1 3.1Å; K640-E644 WeakPolarHBondContact CE-OE2 3.45Å; K640-E644 VanDerWaalsContact CG-CD 3.46Å; K640-E644 HydrophobicContact CG-CG 4.37Å; K640-E644 VanDerWaalsContact CG-OE1 3.3Å; K640-E644 WeakPolarHBondContact CG-OE1 3.44Å; K640-E644 WeakPolarHBondContact CG-OE2 3.1Å; K640-E644 IonicContact NZ-OE1 2.68Å; K640-E644 IonicContact NZ-OE2 2.86Å; K640-E644 WeakPolarHBondContact O-CB 3.16Å; K640-E644 WeakPolarHBondContact O-CG 3.29Å; K640-E644 PolarHBondContact O-N 3.23Å
641	R	93.8	Very high	89.7	Confident	170 Å²	170	69.5 Å²	69.5	64%	0.642	35%	0.354	S	S	*	.	H	α-helix	trans	-63.7	-33.5	-179.4	-68	176.6	-179.6	-176.2	-0.6	113.3	V637 F638 F639 V643 G645	V637-R641 WeakPolarHBondContact O-CG 3.18Å; V637-R641 PolarHBondContact O-N 2.92Å; F638-R641 PolarHBondContact O-N 3.34Å; F639-R641 PolarHBondContact O-N 3.11Å; R641-V643 VanDerWaalsContact C-N 3.31Å; R641-V643 PolarHBondContact O-N 3Å; R641-G645 PolarHBondContact O-N 3.19Å; R641-G645 VanDerWaalsContact O-N 3.11Å
642	A	91.7	Very high	89.3	Confident	12 Å²	12	75.2 Å²	75.2	10%	0.099	40%	0.401	C	S	.	.	H	α-helix	trans	-77.1	-12.7	-177.2	0	0	0	0	0	114.6	F638 F639 K640 Y649 V672	F638-A642 HydrophobicContact CE1-CB 4.1Å; F638-A642 HydrophobicContact CE2-CB 4.47Å; F638-A642 HydrophobicContact CZ-CB 4.07Å; F638-A642 WeakPolarHBondContact O-CB 3.47Å; F638-A642 PolarHBondContact O-N 3Å; F639-A642 PolarHBondContact O-N 3.05Å; K640-A642 VanDerWaalsContact C-N 3.3Å; K640-A642 PolarHBondContact O-N 3.33Å; A642-Y649 HydrophobicContact CB-CE2 3.65Å; A642-V672 HydrophobicContact CB-CB 4.24Å; A642-V672 HydrophobicContact CB-CG2 3.82Å
643	V	85.8	Confident	89	Confident	69 Å²	69	77 Å²	77	42%	0.418	42%	0.42	S	S	.	.	H	α-helix	trans	-117.5	-31.6	179.5	-178.6	0	0	0	0	111.8	F639 K640 R641 L682	F639-V643 HydrophobicContact CD2-CG2 4.05Å; F639-V643 HydrophobicContact CE1-CG2 4.42Å; F639-V643 HydrophobicContact CE2-CG2 3.64Å; F639-V643 HydrophobicContact CZ-CG2 3.84Å; F639-V643 PolarHBondContact O-N 3.3Å; K640-V643 PolarHBondContact O-N 2.84Å; R641-V643 VanDerWaalsContact C-N 3.31Å; R641-V643 PolarHBondContact O-N 3Å; V643-L682 HydrophobicContact CB-CD1 3.89Å; V643-L682 HydrophobicContact CB-CG 4.37Å; V643-L682 HydrophobicContact CG1-CD1 3.56Å; V643-L682 HydrophobicContact CG1-CG 4.05Å
644	E	85.8	Confident	88.6	Confident	117 Å²	117	86 Å²	86	55%	0.547	44%	0.444	S	S	.	.	H	α-helix	trans	-78.9	-34.9	173	-66.7	176	-178.5	0	0	112.7	K640 L682	K640-E644 WeakPolarHBondContact CE-OE1 3.1Å; K640-E644 WeakPolarHBondContact CE-OE2 3.45Å; K640-E644 VanDerWaalsContact CG-CD 3.46Å; K640-E644 HydrophobicContact CG-CG 4.37Å; K640-E644 VanDerWaalsContact CG-OE1 3.3Å; K640-E644 WeakPolarHBondContact CG-OE1 3.44Å; K640-E644 WeakPolarHBondContact CG-OE2 3.1Å; K640-E644 IonicContact NZ-OE1 2.68Å; K640-E644 IonicContact NZ-OE2 2.86Å; K640-E644 WeakPolarHBondContact O-CB 3.16Å; K640-E644 WeakPolarHBondContact O-CG 3.29Å; K640-E644 PolarHBondContact O-N 3.23Å; E644-L682 HydrophobicContact CG-CD1 3.87Å
645	G	75.2	Confident	88.2	Confident	22 Å²	22	87.9 Å²	87.9	23%	0.227	45%	0.451	C	S	.	.	S	Bend	trans	-88.6	132.9	169.6	0	0	0	0	0	110.4	R641 H647	R641-G645 PolarHBondContact O-N 3.19Å; R641-G645 VanDerWaalsContact O-N 3.11Å; G645-H647 PolarHBondContact O-N 2.92Å
646	Q	61.8	Low	87.9	Confident	190 Å²	190	93 Å²	93	89%	0.888	48%	0.478	S	S	*	.			trans	-72.8	54.4	176.4	-65.1	-171.1	-2.8	0	0	112.4	N648	Q646-N648 PolarHBondContact O-N 3.42Å
647	H	71.9	Confident	87.8	Confident	111 Å²	111	91.5 Å²	91.5	51%	0.514	48%	0.477	S	S	.	.			trans	-86.1	99	-178.1	-66.1	-53.2	0	0	0	110.8	G645 Y649	G645-H647 PolarHBondContact O-N 2.92Å; H647-Y649 VanDerWaalsContact C-N 3.26Å; H647-Y649 HydrophobicContact CB-CD1 4.39Å; H647-Y649 HydrophobicContact CB-CD2 4.27Å; H647-Y649 HydrophobicContact CB-CE1 3.84Å; H647-Y649 HydrophobicContact CB-CE2 3.7Å; H647-Y649 VanDerWaalsContact CB-CZ 3.46Å; H647-Y649 VanDerWaalsContact O-CD2 3.26Å; H647-Y649 WeakPolarHBondContact O-CD2 3.47Å; H647-Y649 PolarHBondContact O-N 3.28Å
648	N	77	Confident	87.7	Confident	155 Å²	155	93.4 Å²	93.4	83%	0.829	48%	0.484	S	S	*	.			trans	-67.7	78.7	173.7	-70.6	-51.7	0	0	0	111.5	Q646 L650	Q646-N648 PolarHBondContact O-N 3.42Å; N648-L650 PolarHBondContact O-N 3Å
649	Y	90.7	Very high	87.7	Confident	76 Å²	76	92.4 Å²	92.4	30%	0.298	48%	0.479	S	S	.	.			trans	-71.2	110.5	178.9	-61.1	-63	0	0	0	111.4	F638 A642 H647 P668 A669 V672	F638-Y649 HydrophobicContact CZ-CE2 4.45Å; A642-Y649 HydrophobicContact CB-CE2 3.65Å; H647-Y649 VanDerWaalsContact C-N 3.26Å; H647-Y649 HydrophobicContact CB-CD1 4.39Å; H647-Y649 HydrophobicContact CB-CD2 4.27Å; H647-Y649 HydrophobicContact CB-CE1 3.84Å; H647-Y649 HydrophobicContact CB-CE2 3.7Å; H647-Y649 VanDerWaalsContact CB-CZ 3.46Å; H647-Y649 VanDerWaalsContact O-CD2 3.26Å; H647-Y649 WeakPolarHBondContact O-CD2 3.47Å; H647-Y649 PolarHBondContact O-N 3.28Å; Y649-P668 HydrophobicContact CD1-CB 3.42Å; Y649-P668 VanDerWaalsContact CD1-CB 3.42Å; Y649-P668 HydrophobicContact CD1-CG 4.28Å; Y649-P668 HydrophobicContact CD2-CB 4.44Å; Y649-P668 HydrophobicContact CE1-CB 3.78Å; Y649-P668 HydrophobicContact CG-CB 3.8Å; Y649-A669 VanDerWaalsContact O-CB 3.26Å; Y649-A669 WeakPolarHBondContact O-CB 3.33Å; Y649-V672 HydrophobicContact CD2-CG1 4.13Å
650	L	90.4	Very high	87.8	Confident	158 Å²	158	94.2 Å²	94.2	83%	0.827	49%	0.489	S	S	*	.			trans	-87.6	151.3	170.8	-59.7	178.3	0	0	0	111.2	N648	N648-L650 PolarHBondContact O-N 3Å
651	C	94.5	Very high	87.8	Confident	27 Å²	27	95.4 Å²	95.4	18%	0.182	49%	0.494	C	S	.	.			trans	-100.6	129.4	174.7	-178.2	0	0	0	0	109.9	G653 N655 C657 A669	C651-G653 PolarHBondContact O-N 3.1Å; C651-G653 PolarHBondContact SG-N 3.03Å; C651-G653 VanDerWaalsContact SG-N 3.37Å; C651-G653 PolarHBondContact SG-O 3.28Å; C651-N655 WeakPolarHBondContact CB-OD1 3.33Å; C651-N655 PolarHBondContact SG-N 2.87Å; C651-C657 VanDerWaalsContact SG-SG 3.65Å; C651-A669 HydrophobicContact CB-CB 3.95Å
652	A	90.6	Very high	87.9	Confident	120 Å²	120	94 Å²	94	99%	0.992	50%	0.498	S	S	*	.	S	Bend	trans	-79.7	-2.9	175.4	0	0	0	0	0	114
653	G	89.7	Confident	88	Confident	39 Å²	39	98.6 Å²	98.6	40%	0.402	51%	0.513	S	S	.	.	S	Bend	trans	-127.3	-163.2	175.4	0	0	0	0	0	111.8	C651 N655	C651-G653 PolarHBondContact O-N 3.1Å; C651-G653 PolarHBondContact SG-N 3.03Å; C651-G653 VanDerWaalsContact SG-N 3.37Å; C651-G653 PolarHBondContact SG-O 3.28Å; G653-N655 PolarHBondContact O-N 3.01Å
654	R	88.9	Confident	88.5	Confident	222 Å²	222	97 Å²	97	84%	0.838	50%	0.499	S	S	*	.	S	Bend	trans	-78.4	29.9	-171.2	-61.1	176.7	176.4	164.6	-2.3	114.5	D656	R654-D656 PolarHBondContact N-OD1 2.76Å; R654-D656 PolarHBondContact O-N 2.79Å
655	N	88.3	Confident	88.9	Confident	86 Å²	86	99.9 Å²	99.9	46%	0.46	51%	0.51	S	S	.	.	S	Bend	trans	59.7	14.8	-173.2	-76.2	-78.3	0	0	0	114.9	C651 G653 C670 R673	C651-N655 WeakPolarHBondContact CB-OD1 3.33Å; C651-N655 PolarHBondContact SG-N 2.87Å; G653-N655 PolarHBondContact O-N 3.01Å; N655-C670 PolarHBondContact O-SG 3.48Å; N655-R673 VanDerWaalsContact CB-NH2 3.32Å; N655-R673 PolarHBondContact O-NH1 2.86Å; N655-R673 PolarHBondContact O-NH2 3.41Å; N655-R673 PolarHBondContact OD1-NH2 2.72Å
656	D	91	Very high	89.9	Confident	108 Å²	108	104.9 Å²	104.9	58%	0.578	53%	0.531	S	S	*	.			trans	-106.3	-0.5	-171.7	56.4	-11.5	0	0	0	114.4	R654 I658	R654-D656 PolarHBondContact N-OD1 2.76Å; R654-D656 PolarHBondContact O-N 2.79Å; D656-I658 PolarHBondContact O-N 2.76Å
657	C	95.3	Very high	91.6	Very high	46 Å²	46	96.2 Å²	96.2	31%	0.311	49%	0.492	S	S	.	.			trans	-54.3	124.6	-171.3	-46.8	0	0	0	0	113.9	C651 I659 C667 C670	C651-C657 VanDerWaalsContact SG-SG 3.65Å; C657-I659 PolarHBondContact O-N 2.72Å; C657-C667 HydrophobicContact CB-CB 3.83Å; C657-C670 HydrophobicContact CB-CB 4Å
658	I	93.5	Very high	92.7	Very high	109 Å²	109	93.1 Å²	93.1	56%	0.559	48%	0.481	S	S	*	.			trans	-65	126.3	-177.9	-56.3	167	0	0	0	111.1	D656 R663	D656-I658 PolarHBondContact O-N 2.76Å; I658-R663 WeakPolarHBondContact O-CB 3.37Å
659	I	97.4	Very high	93.6	Very high	8 Å²	8	86 Å²	86	4%	0.041	44%	0.444	C	S	.	.			trans	-106.4	108.4	-179.5	-55.9	-57.8	0	0	0	110.3	V617 C618 C657 R664 C670 R671 K674	V617-I659 HydrophobicContact CG1-CG2 4.31Å; V617-I659 WeakPolarHBondContact O-CG2 3.05Å; C618-I659 HydrophobicContact CB-CG2 3.92Å; C657-I659 PolarHBondContact O-N 2.72Å; I659-R664 HydrophobicContact CG2-CB 3.91Å; I659-C670 HydrophobicContact CD1-CB 3.92Å; I659-C670 HydrophobicContact CG1-CB 4.2Å; I659-R671 HydrophobicContact CD1-CB 4.09Å; I659-R671 HydrophobicContact CG2-CG 4.26Å; I659-K674 HydrophobicContact CB-CD 3.93Å; I659-K674 HydrophobicContact CG1-CD 4.32Å; I659-K674 HydrophobicContact CG2-CD 4.46Å; I659-K674 PolarHBondContact O-NZ 3.22Å
660	D	96.5	Very high	93.8	Very high	40 Å²	40	82.5 Å²	82.5	21%	0.214	43%	0.431	C	S	.	.			trans	-131.5	-177	173.2	63.1	47.8	0	0	0	111.7	C618 I662 R663 R664	C618-D660 CarbonylContact O-C 3.52Å; C618-D660 VanDerWaalsContact O-CA 3.23Å; C618-D660 WeakPolarHBondContact O-CA 3.31Å; D660-I662 PolarHBondContact O-N 3.34Å; D660-I662 VanDerWaalsContact O-N 3.1Å; D660-I662 WeakPolarHBondContact OD1-CA 3.37Å; D660-I662 PolarHBondContact OD1-N 2.96Å; D660-R663 PolarHBondContact OD1-N 3.13Å; D660-R663 IonicContact OD2-CZ 3.43Å; D660-R663 IonicContact OD2-NE 3.66Å; D660-R663 PolarHBondContact OD2-NE 3.08Å; D660-R663 IonicContact OD2-NH2 3.12Å; D660-R663 PolarHBondContact OD2-NH2 2.89Å; D660-R664 WeakPolarHBondContact O-CB 2.89Å; D660-R664 WeakPolarHBondContact O-CD 3.42Å; D660-R664 WeakPolarHBondContact O-CG 3.5Å; D660-R664 PolarHBondContact O-N 3.18Å
661	K	95.2	Very high	94.2	Very high	119 Å²	119	75.8 Å²	75.8	52%	0.517	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-31.4	-178	-175.9	170.7	-176.6	145	0	113.7	C618 D620 R664	C618-K661 PolarHBondContact O-N 3.11Å; D620-K661 HydrophobicContact CB-CB 4.17Å; D620-K661 HydrophobicContact CB-CD 4.25Å; D620-K661 HydrophobicContact CB-CG 4.07Å; D620-K661 WeakPolarHBondContact OD1-CD 3.46Å; D620-K661 WeakPolarHBondContact OD1-CE 3.48Å; D620-K661 IonicContact OD1-NZ 2.9Å; D620-K661 PolarHBondContact OD1-NZ 3.23Å; K661-R664 PolarHBondContact O-NE 3.4Å; K661-R664 PolarHBondContact O-NH2 3.47Å
662	I	95.1	Very high	94.2	Very high	140 Å²	140	75.6 Å²	75.6	72%	0.718	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-58	-177	-53.9	174.7	0	0	0	109.4	D660 R664	D660-I662 PolarHBondContact O-N 3.34Å; D660-I662 VanDerWaalsContact O-N 3.1Å; D660-I662 WeakPolarHBondContact OD1-CA 3.37Å; D660-I662 PolarHBondContact OD1-N 2.96Å; I662-R664 VanDerWaalsContact C-N 3.3Å; I662-R664 PolarHBondContact O-N 3.09Å
663	R	94.7	Very high	94.4	Very high	108 Å²	108	74.3 Å²	74.3	41%	0.408	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-75.1	-9.4	-171.3	-68.5	-176.7	-71.9	-172.6	-4.6	114.9	I658 D660 K665 N666	I658-R663 WeakPolarHBondContact O-CB 3.37Å; D660-R663 PolarHBondContact OD1-N 3.13Å; D660-R663 IonicContact OD2-CZ 3.43Å; D660-R663 IonicContact OD2-NE 3.66Å; D660-R663 PolarHBondContact OD2-NE 3.08Å; D660-R663 IonicContact OD2-NH2 3.12Å; D660-R663 PolarHBondContact OD2-NH2 2.89Å; R663-K665 PolarHBondContact O-N 2.89Å; R663-N666 WeakPolarHBondContact O-CB 3.38Å; R663-N666 PolarHBondContact O-N 2.97Å; R663-N666 PolarHBondContact O-OD1 3.47Å
664	R	95.2	Very high	94.7	Very high	35 Å²	35	75.7 Å²	75.7	13%	0.132	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-60.4	-3.8	173.6	65	-172.6	174.4	177.1	-4.3	115.9	C618 D620 C632 S634 I659 D660 K661 I662 R671	C618-R664 HydrophobicContact CB-CB 4.42Å; C618-R664 PolarHBondContact SG-NH1 3.02Å; D620-R664 IonicContact OD2-CZ 3.56Å; D620-R664 IonicContact OD2-NH1 2.71Å; D620-R664 PolarHBondContact OD2-NH1 3.28Å; D620-R664 IonicContact OD2-NH2 2.65Å; D620-R664 PolarHBondContact OD2-NH2 3.02Å; C632-R664 PolarHBondContact SG-NH1 2.88Å; S634-R664 PolarHBondContact OG-NH1 3.37Å; I659-R664 HydrophobicContact CG2-CB 3.91Å; D660-R664 WeakPolarHBondContact O-CB 2.89Å; D660-R664 WeakPolarHBondContact O-CD 3.42Å; D660-R664 WeakPolarHBondContact O-CG 3.5Å; D660-R664 PolarHBondContact O-N 3.18Å; K661-R664 PolarHBondContact O-NE 3.4Å; K661-R664 PolarHBondContact O-NH2 3.47Å; I662-R664 VanDerWaalsContact C-N 3.3Å; I662-R664 PolarHBondContact O-N 3.09Å; R664-R671 VanDerWaalsContact O-CD 3.31Å; R664-R671 WeakPolarHBondContact O-CD 3.48Å; R664-R671 PolarHBondContact O-NH1 3.5Å
665	K	94.6	Very high	95	Very high	179 Å²	179	65.1 Å²	65.1	78%	0.778	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-91.1	-26.7	167.7	-69.8	-174.3	178.3	-178.7	0	112.5	R663 C667	R663-K665 PolarHBondContact O-N 2.89Å; K665-C667 PolarHBondContact O-N 3.45Å
666	N	95.5	Very high	95.3	Very high	126 Å²	126	65.8 Å²	65.8	67%	0.674	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-27.8	-166.3	-55.6	29.7	0	0	0	113.2	R663	R663-N666 WeakPolarHBondContact O-CB 3.38Å; R663-N666 PolarHBondContact O-N 2.97Å; R663-N666 PolarHBondContact O-OD1 3.47Å
667	C	96.8	Very high	95.4	Very high	8 Å²	8	68.5 Å²	68.5	5%	0.054	33%	0.329	C	S	.	.			trans	-141.4	94.4	177.6	-169.9	0	0	0	0	111.9	C657 K665 A669 C670 R671	C657-C667 HydrophobicContact CB-CB 3.83Å; K665-C667 PolarHBondContact O-N 3.45Å; C667-A669 VanDerWaalsContact C-N 3.27Å; C667-A669 PolarHBondContact O-N 2.83Å; C667-C670 HydrophobicContact CB-CB 4.11Å; C667-C670 PolarHBondContact O-N 3.35Å; C667-C670 PolarHBondContact SG-N 3.09Å; C667-C670 VanDerWaalsContact SG-N 3.41Å; C667-C670 PolarHBondContact SG-SG 2.83Å; C667-R671 WeakPolarHBondContact O-CB 3.3Å; C667-R671 PolarHBondContact O-N 3Å; C667-R671 VanDerWaalsContact O-N 3.09Å
668	P	95.3	Very high	95.3	Very high	46 Å²	46	67.9 Å²	67.9	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-56.1	-38.8	172.8	-28.3	37.3	0	0	0	113.3	F638 Y649 R671 V672	F638-P668 HydrophobicContact CE2-CB 4.14Å; F638-P668 HydrophobicContact CZ-CB 4.25Å; F638-P668 WeakPolarHBondContact CZ-O 3.46Å; Y649-P668 HydrophobicContact CD1-CB 3.42Å; Y649-P668 VanDerWaalsContact CD1-CB 3.42Å; Y649-P668 HydrophobicContact CD1-CG 4.28Å; Y649-P668 HydrophobicContact CD2-CB 4.44Å; Y649-P668 HydrophobicContact CE1-CB 3.78Å; Y649-P668 HydrophobicContact CG-CB 3.8Å; P668-R671 WeakPolarHBondContact O-CB 3.48Å; P668-R671 PolarHBondContact O-N 3.37Å; P668-V672 PolarHBondContact O-N 3.18Å
669	A	95.8	Very high	95.1	Very high	6 Å²	6	64.6 Å²	64.6	5%	0.05	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-51	179.9	0	0	0	0	0	112.5	Y649 C651 C667 R671 V672 R673	Y649-A669 VanDerWaalsContact O-CB 3.26Å; Y649-A669 WeakPolarHBondContact O-CB 3.33Å; C651-A669 HydrophobicContact CB-CB 3.95Å; C667-A669 VanDerWaalsContact C-N 3.27Å; C667-A669 PolarHBondContact O-N 2.83Å; A669-R671 VanDerWaalsContact C-N 3.27Å; A669-R671 PolarHBondContact O-N 3.11Å; A669-V672 WeakPolarHBondContact O-CG1 3.32Å; A669-V672 PolarHBondContact O-N 3.49Å; A669-R673 WeakPolarHBondContact O-CB 3.21Å; A669-R673 PolarHBondContact O-N 3.31Å; A669-R673 VanDerWaalsContact O-N 3.13Å
670	C	96.5	Very high	95	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.014	32%	0.32	C	S	.	.	H	α-helix	trans	-65.9	-31.6	175.5	-66.1	0	0	0	0	112.2	N655 C657 I659 C667 R673 K674	N655-C670 PolarHBondContact O-SG 3.48Å; C657-C670 HydrophobicContact CB-CB 4Å; I659-C670 HydrophobicContact CD1-CB 3.92Å; I659-C670 HydrophobicContact CG1-CB 4.2Å; C667-C670 HydrophobicContact CB-CB 4.11Å; C667-C670 PolarHBondContact O-N 3.35Å; C667-C670 PolarHBondContact SG-N 3.09Å; C667-C670 VanDerWaalsContact SG-N 3.41Å; C667-C670 PolarHBondContact SG-SG 2.83Å; C670-R673 PolarHBondContact SG-NH2 2.81Å; C670-K674 WeakPolarHBondContact O-CB 3.45Å; C670-K674 PolarHBondContact O-N 2.85Å
671	R	97.3	Very high	94.6	Very high	17 Å²	17	65.9 Å²	65.9	6%	0.064	33%	0.327	C	S	.	.	H	α-helix	trans	-67.1	-47.9	175.9	-169.9	-179.7	-175.4	166.7	-3	112.7	S634 C635 F638 I659 R664 C667 P668 A669 R673 K674 C675	S634-R671 VanDerWaalsContact C-NH2 3.28Å; S634-R671 PolarHBondContact O-NH2 2.91Å; S634-R671 PolarHBondContact OG-NH2 2.98Å; C635-R671 PolarHBondContact SG-NH2 3.08Å; F638-R671 HydrophobicContact CD1-CB 4.48Å; F638-R671 HydrophobicContact CD1-CG 3.74Å; F638-R671 HydrophobicContact CE1-CB 3.79Å; F638-R671 HydrophobicContact CE1-CG 3.52Å; F638-R671 HydrophobicContact CG-CG 4.46Å; F638-R671 HydrophobicContact CZ-CB 3.95Å; F638-R671 HydrophobicContact CZ-CG 4.08Å; I659-R671 HydrophobicContact CD1-CB 4.09Å; I659-R671 HydrophobicContact CG2-CG 4.26Å; R664-R671 VanDerWaalsContact O-CD 3.31Å; R664-R671 WeakPolarHBondContact O-CD 3.48Å; R664-R671 PolarHBondContact O-NH1 3.5Å; C667-R671 WeakPolarHBondContact O-CB 3.3Å; C667-R671 PolarHBondContact O-N 3Å; C667-R671 VanDerWaalsContact O-N 3.09Å; P668-R671 WeakPolarHBondContact O-CB 3.48Å; P668-R671 PolarHBondContact O-N 3.37Å; A669-R671 VanDerWaalsContact C-N 3.27Å; A669-R671 PolarHBondContact O-N 3.11Å; R671-R673 VanDerWaalsContact C-N 3.34Å; R671-K674 PolarHBondContact O-N 2.67Å; R671-C675 PolarHBondContact O-N 3.08Å; R671-C675 PolarHBondContact O-SG 2.86Å
672	V	95.4	Very high	94	Very high	23 Å²	23	63.3 Å²	63.3	14%	0.139	32%	0.319	C	S	.	.	H	α-helix	trans	-66.8	-38.8	179.7	66.6	0	0	0	0	110.9	F638 A642 Y649 P668 A669 K674 C675 L676	F638-V672 HydrophobicContact CE1-CB 3.84Å; F638-V672 HydrophobicContact CZ-CB 4.07Å; A642-V672 HydrophobicContact CB-CB 4.24Å; A642-V672 HydrophobicContact CB-CG2 3.82Å; Y649-V672 HydrophobicContact CD2-CG1 4.13Å; P668-V672 PolarHBondContact O-N 3.18Å; A669-V672 WeakPolarHBondContact O-CG1 3.32Å; A669-V672 PolarHBondContact O-N 3.49Å; V672-K674 VanDerWaalsContact C-N 3.34Å; V672-K674 PolarHBondContact O-N 2.86Å; V672-C675 WeakPolarHBondContact O-CB 3.37Å; V672-C675 PolarHBondContact O-N 2.89Å; V672-L676 HydrophobicContact CG2-CD1 4.45Å; V672-L676 WeakPolarHBondContact O-CG 3.43Å; V672-L676 PolarHBondContact O-N 3.17Å
673	R	94.5	Very high	92.5	Very high	93 Å²	93	59.7 Å²	59.7	35%	0.351	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-43.2	173.4	-154.8	-172.3	-35.6	96.2	3.4	111.9	N655 A669 C670 R671 L676 Q677	N655-R673 VanDerWaalsContact CB-NH2 3.32Å; N655-R673 PolarHBondContact O-NH1 2.86Å; N655-R673 PolarHBondContact O-NH2 3.41Å; N655-R673 PolarHBondContact OD1-NH2 2.72Å; A669-R673 WeakPolarHBondContact O-CB 3.21Å; A669-R673 PolarHBondContact O-N 3.31Å; A669-R673 VanDerWaalsContact O-N 3.13Å; C670-R673 PolarHBondContact SG-NH2 2.81Å; R671-R673 VanDerWaalsContact C-N 3.34Å; R673-L676 PolarHBondContact O-N 3.4Å; R673-Q677 VanDerWaalsContact O-CB 3.31Å; R673-Q677 WeakPolarHBondContact O-CB 3.19Å; R673-Q677 PolarHBondContact O-N 3.14Å
674	K	96.2	Very high	90.2	Very high	69 Å²	69	58 Å²	58	30%	0.3	33%	0.326	S	S	.	.	H	α-helix	trans	-71.8	-28	177.1	-163.9	176.8	175.7	-163.4	0	113.2	V617 I659 C670 R671 V672 A678	V617-K674 HydrophobicContact CG1-CB 4.45Å; V617-K674 HydrophobicContact CG1-CG 4.47Å; V617-K674 VanDerWaalsContact O-CD 3.23Å; V617-K674 WeakPolarHBondContact O-CD 3.19Å; V617-K674 WeakPolarHBondContact O-CE 3.09Å; V617-K674 PolarHBondContact O-NZ 3.2Å; I659-K674 HydrophobicContact CB-CD 3.93Å; I659-K674 HydrophobicContact CG1-CD 4.32Å; I659-K674 HydrophobicContact CG2-CD 4.46Å; I659-K674 PolarHBondContact O-NZ 3.22Å; C670-K674 WeakPolarHBondContact O-CB 3.45Å; C670-K674 PolarHBondContact O-N 2.85Å; R671-K674 PolarHBondContact O-N 2.67Å; V672-K674 VanDerWaalsContact C-N 3.34Å; V672-K674 PolarHBondContact O-N 2.86Å; K674-A678 VanDerWaalsContact O-CB 3.28Å; K674-A678 WeakPolarHBondContact O-CB 3.41Å; K674-A678 PolarHBondContact O-N 2.88Å
675	C	95.8	Very high	87.9	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61.9	-50.3	167.4	-69.3	0	0	0	0	111.3	V617 F639 R671 V672 A678 G679 M680	V617-C675 HydrophobicContact CG2-CB 4.49Å; F639-C675 HydrophobicContact CB-CB 4.48Å; F639-C675 HydrophobicContact CD2-CB 3.46Å; F639-C675 VanDerWaalsContact CD2-CB 3.46Å; F639-C675 HydrophobicContact CE2-CB 4.05Å; F639-C675 HydrophobicContact CG-CB 4.27Å; R671-C675 PolarHBondContact O-N 3.08Å; R671-C675 PolarHBondContact O-SG 2.86Å; V672-C675 WeakPolarHBondContact O-CB 3.37Å; V672-C675 PolarHBondContact O-N 2.89Å; C675-A678 PolarHBondContact O-N 3.25Å; C675-G679 PolarHBondContact O-N 3.13Å; C675-M680 HydrophobicContact CB-CB 4.3Å; C675-M680 HydrophobicContact CB-CG 4.26Å; C675-M680 HydrophobicContact CB-SD 3.52Å; C675-M680 VanDerWaalsContact CB-SD 3.52Å; C675-M680 VanDerWaalsContact O-CB 3.26Å; C675-M680 WeakPolarHBondContact O-CB 3.26Å; C675-M680 VanDerWaalsContact O-CG 3.28Å; C675-M680 WeakPolarHBondContact O-CG 3.39Å; C675-M680 PolarHBondContact O-N 2.75Å; C675-M680 VanDerWaalsContact O-N 3.07Å; C675-M680 VanDerWaalsContact SG-SD 3.7Å
676	L	93.8	Very high	85.4	Confident	100 Å²	100	68.7 Å²	68.7	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-45.8	178.4	-67.8	166.7	0	0	0	111.6	F639 V672 R673 A678 G679	F639-L676 HydrophobicContact CE2-CD2 3.76Å; F639-L676 HydrophobicContact CE2-CG 4.15Å; F639-L676 HydrophobicContact CZ-CD2 4.1Å; V672-L676 HydrophobicContact CG2-CD1 4.45Å; V672-L676 WeakPolarHBondContact O-CG 3.43Å; V672-L676 PolarHBondContact O-N 3.17Å; R673-L676 PolarHBondContact O-N 3.4Å; L676-A678 PolarHBondContact O-N 3.12Å; L676-G679 WeakPolarHBondContact O-CA 3.48Å; L676-G679 PolarHBondContact O-N 2.97Å
677	Q	92.8	Very high	82.6	Confident	164 Å²	164	68.8 Å²	68.8	77%	0.766	38%	0.377	S	S	*	.	H	α-helix	trans	-61.8	-30.1	177.4	-171.1	-179.5	14.5	0	0	113	R673 G679	R673-Q677 VanDerWaalsContact O-CB 3.31Å; R673-Q677 WeakPolarHBondContact O-CB 3.19Å; R673-Q677 PolarHBondContact O-N 3.14Å; Q677-G679 PolarHBondContact O-N 3.42Å
678	A	92.8	Very high	79.9	Confident	33 Å²	33	78.3 Å²	78.3	27%	0.273	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-1.6	173.8	0	0	0	0	0	113.6	V617 V629 K674 C675 L676	V617-A678 HydrophobicContact CG2-CB 4.07Å; V629-A678 HydrophobicContact CG1-CB 3.96Å; V629-A678 WeakPolarHBondContact CG1-O 3.45Å; V629-A678 WeakPolarHBondContact CG2-O 3.41Å; K674-A678 VanDerWaalsContact O-CB 3.28Å; K674-A678 WeakPolarHBondContact O-CB 3.41Å; K674-A678 PolarHBondContact O-N 2.88Å; C675-A678 PolarHBondContact O-N 3.25Å; L676-A678 PolarHBondContact O-N 3.12Å
679	G	90.5	Very high	77.2	Confident	41 Å²	41	84.5 Å²	84.5	42%	0.423	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	7.2	177.4	0	0	0	0	0	115.8	C675 L676 Q677 N681	C675-G679 PolarHBondContact O-N 3.13Å; L676-G679 WeakPolarHBondContact O-CA 3.48Å; L676-G679 PolarHBondContact O-N 2.97Å; Q677-G679 PolarHBondContact O-N 3.42Å; G679-N681 PolarHBondContact O-N 3.41Å; G679-N681 PolarHBondContact O-ND2 3.18Å
680	M	94.5	Very high	74.1	Confident	4 Å²	4	93 Å²	93	2%	0.02	48%	0.484	C	S	.	.			trans	-67.9	127.8	-175.1	-63.5	-175.5	77	0	0	111.3	V617 Y627 V629 T631 F639 C675	V617-M680 HydrophobicContact CG2-SD 3.97Å; Y627-M680 HydrophobicContact CD2-CE 3.69Å; Y627-M680 HydrophobicContact CG-CE 4.31Å; Y627-M680 WeakPolarHBondContact O-CA 3.28Å; V629-M680 HydrophobicContact CB-CG 3.75Å; V629-M680 HydrophobicContact CG1-CG 4.42Å; V629-M680 HydrophobicContact CG2-CB 4.2Å; V629-M680 HydrophobicContact CG2-CG 3.46Å; V629-M680 VanDerWaalsContact CG2-CG 3.46Å; V629-M680 VanDerWaalsContact CG2-N 3.34Å; T631-M680 HydrophobicContact CG2-CE 4.23Å; T631-M680 HydrophobicContact CG2-SD 3.9Å; F639-M680 HydrophobicContact CB-CE 3.62Å; F639-M680 HydrophobicContact CB-SD 4.21Å; F639-M680 HydrophobicContact CD1-CB 4Å; F639-M680 HydrophobicContact CD1-CE 3.88Å; F639-M680 HydrophobicContact CD2-CB 4.02Å; F639-M680 HydrophobicContact CD2-SD 4.41Å; F639-M680 HydrophobicContact CE1-CB 3.78Å; F639-M680 HydrophobicContact CE2-CB 3.8Å; F639-M680 HydrophobicContact CG-CB 4.11Å; F639-M680 HydrophobicContact CG-CE 3.76Å; F639-M680 HydrophobicContact CG-SD 4.17Å; F639-M680 VanDerWaalsContact CZ-C 3.45Å; F639-M680 HydrophobicContact CZ-CB 3.68Å; F639-M680 WeakPolarHBondContact CZ-O 3.3Å; C675-M680 HydrophobicContact CB-CB 4.3Å; C675-M680 HydrophobicContact CB-CG 4.26Å; C675-M680 HydrophobicContact CB-SD 3.52Å; C675-M680 VanDerWaalsContact CB-SD 3.52Å; C675-M680 VanDerWaalsContact O-CB 3.26Å; C675-M680 WeakPolarHBondContact O-CB 3.26Å; C675-M680 VanDerWaalsContact O-CG 3.28Å; C675-M680 WeakPolarHBondContact O-CG 3.39Å; C675-M680 PolarHBondContact O-N 2.75Å; C675-M680 VanDerWaalsContact O-N 3.07Å; C675-M680 VanDerWaalsContact SG-SD 3.7Å
681	N	88.9	Confident	70.9	Confident	70 Å²	70	101.1 Å²	101.1	37%	0.374	52%	0.519	S	S	.	.			trans	-141.7	147.8	177.8	69.6	84.7	0	0	0	112.8	Y627 G679 G683 A684	Y627-N681 VanDerWaalsContact CB-O 3.31Å; Y627-N681 WeakPolarHBondContact CB-O 3.31Å; Y627-N681 WeakPolarHBondContact CD1-O 3.41Å; Y627-N681 PolarHBondContact O-N 3.29Å; G679-N681 PolarHBondContact O-N 3.41Å; G679-N681 PolarHBondContact O-ND2 3.18Å; N681-G683 PolarHBondContact OD1-N 3.13Å; N681-A684 PolarHBondContact OD1-N 2.63Å
682	L	81.6	Confident	67.9	Low	65 Å²	65	108.4 Å²	108.4	34%	0.34	56%	0.558	S	S	.	*	S	Bend	trans	-82.9	-17.8	173.6	-60.7	-172.7	0	0	0	113.1	Y627 F639 V643 E644 A684	Y627-L682 HydrophobicContact CD1-CD2 3.62Å; Y627-L682 HydrophobicContact CE1-CD2 3.37Å; Y627-L682 HydrophobicContact CG-CD2 4.44Å; F639-L682 HydrophobicContact CD1-CD2 4.11Å; F639-L682 HydrophobicContact CE1-CD2 3.8Å; F639-L682 HydrophobicContact CE1-CG 4.17Å; V643-L682 HydrophobicContact CB-CD1 3.89Å; V643-L682 HydrophobicContact CB-CG 4.37Å; V643-L682 HydrophobicContact CG1-CD1 3.56Å; V643-L682 HydrophobicContact CG1-CG 4.05Å; E644-L682 HydrophobicContact CG-CD1 3.87Å; L682-A684 VanDerWaalsContact C-N 3.32Å; L682-A684 PolarHBondContact O-N 2.78Å
683	G	63.3	Low	64.7	Low	64 Å²	64	116.8 Å²	116.8	66%	0.66	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-14.2	-167.9	0	0	0	0	0	116.1	N681 R685	N681-G683 PolarHBondContact OD1-N 3.13Å; G683-R685 PolarHBondContact O-N 3.22Å
684	A	46.5	Very low	61.3	Low	73 Å²	73	114.9 Å²	114.9	60%	0.603	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-11.6	-169.1	0	0	0	0	0	116.9	N681 L682	N681-A684 PolarHBondContact OD1-N 2.63Å; L682-A684 VanDerWaalsContact C-N 3.32Å; L682-A684 PolarHBondContact O-N 2.78Å
685	R	48	Very low	58.1	Low	231 Å²	231	118 Å²	118	87%	0.872	63%	0.626	S	S	*	*	S	Bend	trans	-149.4	85.2	175.6	-63.6	-170.2	-171.7	-142.1	-0.3	114.1	G683	G683-R685 PolarHBondContact O-N 3.22Å
686	K	42.2	Very low	54.7	Low	208 Å²	208	124.1 Å²	124.1	90%	0.904	66%	0.659	S	S	*	*			trans	159.3	105.5	139	-91.5	174.8	179.3	-174.9	0	111.7
687	S	36.4	Very low	51.4	Low	127 Å²	127	128.6 Å²	128.6	89%	0.888	68%	0.677	S	S	*	*			trans	-145.1	31	164	51.9	0	0	0	0	112.6	K689	S687-K689 PolarHBondContact O-N 3.28Å
688	K	38.9	Very low	48.2	Very low	209 Å²	209	127.3 Å²	127.3	91%	0.909	68%	0.676	S	S	*	*	S	Bend	trans	-80.7	114.4	164.2	-80.6	-169.6	174.7	-175.9	0	109.6
689	K	38.8	Very low	45.1	Very low	176 Å²	176	132.8 Å²	132.8	77%	0.765	70%	0.699	S	S	*	*			trans	63.5	80	152.5	-161.1	176.8	-169.2	172	0	116.4	S687	S687-K689 PolarHBondContact O-N 3.28Å
690	L	31.1	Very low	42	Very low	185 Å²	185	140.2 Å²	140.2	97%	0.969	72%	0.723	S	S	*	*			trans	-90.1	130.5	139.6	-87.5	168.3	0	0	0	108
691	K	30.4	Very low	38.7	Very low	172 Å²	172	144.6 Å²	144.6	75%	0.748	75%	0.754	S	S	*	*			trans	-85.4	150.2	-179.1	-93.6	-171	169.8	-169.9	0	110.6	K693	K691-K693 PolarHBondContact O-N 3.39Å
692	L	33.8	Very low	35.9	Very low	169 Å²	169	147.3 Å²	147.3	89%	0.885	78%	0.778	S	S	*	*			trans	-42.8	124.7	147.2	179.3	77.7	0	0	0	111.1
693	K	27.4	Very low	33.2	Very low	200 Å²	200	152.1 Å²	152.1	87%	0.87	80%	0.797	S	S	*	*			trans	-148.8	117.5	149.2	-158.1	-171.4	-178.1	-160.6	0	109.1	K691	K691-K693 PolarHBondContact O-N 3.39Å
694	G	24.4	Very low	31.4	Very low	52 Å²	52	154.9 Å²	154.9	54%	0.536	80%	0.796	S	S	.	*			trans	-114.4	-169.2	164.6	0	0	0	0	0	110.3
695	V	28.4	Very low	30.4	Very low	136 Å²	136	155.4 Å²	155.4	82%	0.824	80%	0.801	S	S	*	*			trans	70.4	98.8	175.5	-166.2	0	0	0	0	114.6
696	N	24.1	Very low	29.5	Very low	128 Å²	128	152.6 Å²	152.6	68%	0.684	80%	0.797	S	S	*	*				22.8	135.1	122.1	-161.6	27.1	0	0	0	119.3
697	E	24.1	Very low	28.8	Very low	193 Å²	193	149.8 Å²	149.8	90%	0.902	79%	0.791	S	S	*	*			trans	-152.1	147.1	135.8	-131.4	174.4	156.2	0	0	110.2
698	D	25.7	Very low	28.3	Very low	138 Å²	138	147.2 Å²	147.2	74%	0.738	78%	0.777	S	S	*	*			trans	-96.3	165.3	-166.9	-129	-45.8	0	0	0	113.3
699	L	27.8	Very low	27.7	Very low	147 Å²	147	143.9 Å²	143.9	77%	0.77	78%	0.775	S	S	*	*			trans	-10.4	122.1	161.3	-177	71	0	0	0	117.5
700	Q	26.1	Very low	27.2	Very low	197 Å²	197	139.6 Å²	139.6	92%	0.921	78%	0.78	S	S	*	*			trans	-137.2	120.7	143.4	-127.8	171.1	64	0	0	112.7
701	S	23.9	Very low	27.1	Very low	96 Å²	96	134.1 Å²	134.1	67%	0.671	77%	0.769	S	S	*	*			trans	-78.9	139	177	175.5	0	0	0	0	110.9
702	S	30.1	Very low	27	Very low	127 Å²	127	133.3 Å²	133.3	89%	0.888	78%	0.778	S	S	*	*			trans	-155.6	151.5	148	-88.5	0	0	0	0	112.5
703	K	26.1	Very low	26.6	Very low	166 Å²	166	128.8 Å²	128.8	72%	0.722	77%	0.772	S	S	*	*			trans	-93.3	158.4	-156.2	-109.8	170.3	145.8	-67.2	0	114.4
704	D	24.6	Very low	26.6	Very low	123 Å²	123	123.4 Å²	123.4	66%	0.658	77%	0.773	S	S	*	*			trans	65.7	129.1	141	-58.7	-25	0	0	0	122.2
705	A	26.9	Very low	26.6	Very low	84 Å²	84	124.5 Å²	124.5	69%	0.694	78%	0.784	S	S	*	*			trans	81.7	103.2	130.4	0	0	0	0	0	122
706	Q	27.6	Very low	26.4	Very low	171 Å²	171	128.3 Å²	128.3	80%	0.799	79%	0.785	S	S	*	*				104	138.8	110.2	-84.7	-172.7	0	0	0	121.7
707	I	27.2	Very low	26.6	Very low	149 Å²	149	129.6 Å²	129.6	76%	0.764	79%	0.791	S	S	*	*			trans	62.9	119.5	149	-64.2	162.1	0	0	0	116.1
708	A	27.4	Very low	26.6	Very low	74 Å²	74	125 Å²	125	61%	0.612	78%	0.78	S	S	*	*			cis	178.6	-171.1	-0.2	0	0	0	0	0	105.8
709	T	26.8	Very low	26.6	Very low	138 Å²	138	122.2 Å²	122.2	85%	0.847	77%	0.772	S	S	*	*			trans	40.3	100.2	155.7	49.7	0	0	0	0	117.4
710	G	27.9	Very low	26.4	Very low	86 Å²	86	122.7 Å²	122.7	89%	0.887	77%	0.771	S	S	*	*			cis	96.8	145.2	27.5	0	0	0	0	0	111.2
711	G	27.5	Very low	26.6	Very low	70 Å²	70	120.1 Å²	120.1	72%	0.722	76%	0.756	S	S	*	*			trans	131.8	108.9	172.2	0	0	0	0	0	115.9
712	V	28.6	Very low	26.6	Very low	156 Å²	156	122 Å²	122	95%	0.945	75%	0.754	S	S	*	*			trans	45.2	129.9	132.4	-175	0	0	0	0	120.3
713	G	27.2	Very low	26.5	Very low	74 Å²	74	122.4 Å²	122.4	76%	0.763	75%	0.746	S	S	*	*			trans	105.9	95.1	141.2	0	0	0	0	0	116.4
714	G	25.7	Very low	26.4	Very low	86 Å²	86	119.2 Å²	119.2	89%	0.887	75%	0.745	S	S	*	*			trans	-84.9	157.4	163.1	0	0	0	0	0	112.1
715	G	25.7	Very low	26.4	Very low	75 Å²	75	118.3 Å²	118.3	77%	0.773	75%	0.754	S	S	*	*			trans	-165.7	78.4	-176.1	0	0	0	0	0	115.6
716	Y	24.6	Very low	26.4	Very low	216 Å²	216	120.1 Å²	120.1	85%	0.847	76%	0.761	S	S	*	*			trans	33.1	116.5	143.2	-92.7	-112.7	0	0	0	121.8
717	L	27	Very low	26.4	Very low	155 Å²	155	116.2 Å²	116.2	81%	0.812	76%	0.759	S	S	*	*			trans	63.8	166.7	144.8	-50.4	179.7	0	0	0	116.7
718	S	24.8	Very low	26.5	Very low	96 Å²	96	114.1 Å²	114.1	67%	0.671	76%	0.764	S	S	*	*			cis	-152.8	177.5	9	-161.3	0	0	0	0	112.1
719	S	24.6	Very low	26.6	Very low	81 Å²	81	118 Å²	118	57%	0.566	77%	0.774	S	S	*	*			trans	63.1	116.2	139.4	-79.5	0	0	0	0	122.9
720	E	24.9	Very low	26.6	Very low	157 Å²	157	116.2 Å²	116.2	73%	0.734	77%	0.773	S	S	*	*				95.6	138.1	113.4	-78.1	174	92.3	0	0	124.8
721	K	28.7	Very low	26.7	Very low	143 Å²	143	119.7 Å²	119.7	62%	0.622	77%	0.77	S	S	*	*			trans	84.3	123.8	137.1	-83.8	-175	144.8	-128.9	0	122.9
722	E	25.1	Very low	27	Very low	135 Å²	135	121.3 Å²	121.3	63%	0.631	77%	0.766	S	S	*	*				72.2	152.3	129.2	-65.7	178.9	155.1	0	0	120.1
723	L	27.3	Very low	27.3	Very low	136 Å²	136	120.2 Å²	120.2	71%	0.712	76%	0.762	S	S	*	*			cis	-158.5	161.4	-22	-119	167.5	0	0	0	111.4
724	S	24.5	Very low	27.6	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	77%	0.765	S	S	*	*			trans	26.2	130.4	151.7	61.5	0	0	0	0	122.8
725	A	25.1	Very low	27.6	Very low	104 Å²	104	124 Å²	124	86%	0.86	75%	0.754	S	S	*	*				-145.9	134.8	126.7	0	0	0	0	0	111.2
726	S	27	Very low	28.3	Very low	121 Å²	121	126.8 Å²	126.8	85%	0.846	76%	0.758	S	S	*	*			trans	-98.8	175.5	177	-65.4	0	0	0	0	110.2
727	A	27.7	Very low	28.6	Very low	90 Å²	90	119.7 Å²	119.7	74%	0.744	75%	0.75	S	S	*	*			cis	-173.6	165.8	-31.9	0	0	0	0	0	107.3
728	A	28.5	Very low	29.1	Very low	105 Å²	105	118.7 Å²	118.7	87%	0.868	75%	0.75	S	S	*	*			trans	-149.2	145	165.8	0	0	0	0	0	110.4
729	N	29.9	Very low	29.7	Very low	156 Å²	156	121.5 Å²	121.5	83%	0.834	76%	0.757	S	S	*	*			trans	-111.6	147.7	-164.7	-63.1	-36.5	0	0	0	114.1
730	A	27.1	Very low	30.1	Very low	99 Å²	99	122.3 Å²	122.3	82%	0.818	76%	0.759	S	S	*	*			trans	-151.4	148.5	148.8	0	0	0	0	0	108.8
731	L	29.2	Very low	30.9	Very low	159 Å²	159	120.2 Å²	120.2	83%	0.832	76%	0.759	S	S	*	*			trans	-108.4	121.7	-162.7	-71.1	119.6	0	0	0	115
732	V	35.1	Very low	31.8	Very low	105 Å²	105	122.4 Å²	122.4	64%	0.636	77%	0.769	S	S	*	*				36.6	122.6	113.9	178.6	0	0	0	0	117.1
733	P	34.8	Very low	33.4	Very low	132 Å²	132	123.2 Å²	123.2	86%	0.857	78%	0.776	S	S	*	*				-124.6	153.4	95.8	-0.1	21.3	0	0	0	115.6
734	H	31.5	Very low	35	Very low	177 Å²	177	122.1 Å²	122.1	82%	0.819	78%	0.778	S	S	*	*			trans	-100.1	145.5	169.4	-78.3	-83.6	0	0	0	111.7
735	G	27.7	Very low	37.3	Very low	63 Å²	63	122 Å²	122	65%	0.649	78%	0.775	S	S	*	*			trans	-121.7	136.3	160.1	0	0	0	0	0	110.5	G737	G735-G737 VanDerWaalsContact C-N 3.31Å; G735-G737 PolarHBondContact O-N 2.79Å
736	P	40	Very low	40.3	Very low	134 Å²	134	119.4 Å²	119.4	87%	0.87	75%	0.75	S	S	*	*			trans	-82.1	68.1	-173.7	33.8	-36.3	0	0	0	112.8	V738	P736-V738 PolarHBondContact O-N 3.38Å
737	G	30.3	Very low	43.2	Very low	66 Å²	66	116.2 Å²	116.2	68%	0.68	72%	0.723	S	S	*	*			trans	-69.7	119.1	173.2	0	0	0	0	0	112.2	G735 L739	G735-G737 VanDerWaalsContact C-N 3.31Å; G735-G737 PolarHBondContact O-N 2.79Å; G737-L739 PolarHBondContact O-N 3.13Å
738	V	37.1	Very low	46.1	Very low	134 Å²	134	112 Å²	112	81%	0.812	69%	0.688	S	S	*	*			trans	-73.8	91.1	178.4	-179.4	0	0	0	0	110.1	P736 T740	P736-V738 PolarHBondContact O-N 3.38Å; V738-T740 VanDerWaalsContact C-N 3.32Å; V738-T740 PolarHBondContact O-N 3.35Å
739	L	37.2	Very low	49.1	Very low	155 Å²	155	109.7 Å²	109.7	81%	0.812	67%	0.666	S	S	*	*			trans	-75.4	85.7	170.5	-69.3	-179.8	0	0	0	110.7	G737	G737-L739 PolarHBondContact O-N 3.13Å
740	T	32.9	Very low	52.1	Low	98 Å²	98	104 Å²	104	60%	0.601	64%	0.637	S	S	*	*			trans	-49.8	132.2	159.7	-45.7	0	0	0	0	108.9	V738 F742	V738-T740 VanDerWaalsContact C-N 3.32Å; V738-T740 PolarHBondContact O-N 3.35Å; T740-F742 WeakPolarHBondContact O-CD2 3.46Å; T740-F742 PolarHBondContact O-N 3.44Å
741	P	43.1	Very low	55.3	Low	114 Å²	114	99.4 Å²	99.4	74%	0.74	60%	0.598	S	S	*	*			trans	-62.9	107.4	172.1	-19.7	32.1	0	0	0	108.8	L743	P741-L743 PolarHBondContact O-N 2.88Å
742	F	47.3	Very low	58.4	Low	188 Å²	188	96.6 Å²	96.6	83%	0.825	58%	0.58	S	S	*	*			trans	-61.5	99	174.4	-77.6	-93.3	0	0	0	108.7	T740	T740-F742 WeakPolarHBondContact O-CD2 3.46Å; T740-F742 PolarHBondContact O-N 3.44Å
743	L	57.5	Low	61.2	Low	152 Å²	152	98.6 Å²	98.6	80%	0.796	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-59.3	134.2	163.3	-67.8	171.4	0	0	0	107.1	P741	P741-L743 PolarHBondContact O-N 2.88Å
744	P	61.4	Low	64	Low	114 Å²	114	94 Å²	94	74%	0.74	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-57.7	137.1	175.3	24.9	-33.3	0	0	0	109
745	P	73.9	Confident	67	Low	97 Å²	97	87.7 Å²	87.7	63%	0.63	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-58	146.4	-176.6	23.9	-33.8	0	0	0	110.8	V750	P745-V750 HydrophobicContact CB-CG2 4.16Å; P745-V750 HydrophobicContact CG-CG2 3.97Å
746	S	86.4	Confident	69.9	Low	49 Å²	49	86.7 Å²	86.7	34%	0.343	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-64.5	147.8	178.5	88.8	0	0	0	0	110.1	C748 S749 V750	S746-C748 PolarHBondContact O-N 3.19Å; S746-S749 WeakPolarHBondContact O-CA 3.45Å; S746-S749 WeakPolarHBondContact O-CB 3.39Å; S746-S749 PolarHBondContact O-N 2.83Å; S746-S749 PolarHBondContact OG-N 3.18Å; S746-S749 PolarHBondContact OG-OG 3.44Å; S746-V750 PolarHBondContact O-N 3.38Å
747	I	89.2	Confident	72.1	Confident	54 Å²	54	86.6 Å²	86.6	28%	0.277	50%	0.496	S	S	.	.	H	α-helix	trans	-59.4	-38.5	-179.6	-59.4	177.8	0	0	0	110	S749 V750 L751 Y908 E911	I747-S749 VanDerWaalsContact C-N 3.33Å; I747-S749 PolarHBondContact O-N 2.61Å; I747-V750 PolarHBondContact O-N 3.38Å; I747-V750 VanDerWaalsContact O-N 3.08Å; I747-L751 HydrophobicContact CG2-CD1 4.33Å; I747-L751 HydrophobicContact CG2-CG 4.18Å; I747-L751 WeakPolarHBondContact O-CG 3.38Å; I747-L751 PolarHBondContact O-N 2.72Å; I747-Y908 HydrophobicContact CG2-CD1 4.47Å; I747-Y908 HydrophobicContact CG2-CE1 3.72Å; I747-E911 HydrophobicContact CB-CG 4.22Å; I747-E911 WeakPolarHBondContact CB-OE2 3.3Å; I747-E911 HydrophobicContact CG2-CG 4.38Å
748	C	88.6	Confident	74.6	Confident	1 Å²	1	87.8 Å²	87.8	1%	0.007	48%	0.483	C	S	.	.	H	α-helix	trans	-53.8	-46.7	172	-62.3	0	0	0	0	112.4	S746 V750 L751 E752 D876 E911 S915	S746-C748 PolarHBondContact O-N 3.19Å; C748-V750 VanDerWaalsContact C-N 3.29Å; C748-V750 PolarHBondContact O-N 2.73Å; C748-L751 PolarHBondContact O-N 3.31Å; C748-E752 WeakPolarHBondContact O-CB 3.4Å; C748-E752 PolarHBondContact O-N 3.03Å; C748-D876 WeakPolarHBondContact CB-OD1 3.33Å; C748-E911 PolarHBondContact SG-OE1 3.08Å; C748-E911 VanDerWaalsContact SG-OE1 3.38Å; C748-S915 PolarHBondContact SG-OG 3.36Å
749	S	90.4	Very high	77.1	Confident	57 Å²	57	82.4 Å²	82.4	40%	0.399	45%	0.451	S	S	.	.	H	α-helix	trans	-65.8	-29.8	178.1	-48.9	0	0	0	0	113	S746 I747 L753	S746-S749 WeakPolarHBondContact O-CA 3.45Å; S746-S749 WeakPolarHBondContact O-CB 3.39Å; S746-S749 PolarHBondContact O-N 2.83Å; S746-S749 PolarHBondContact OG-N 3.18Å; S746-S749 PolarHBondContact OG-OG 3.44Å; I747-S749 VanDerWaalsContact C-N 3.33Å; I747-S749 PolarHBondContact O-N 2.61Å; S749-L753 WeakPolarHBondContact O-CB 3.38Å; S749-L753 PolarHBondContact O-N 3.47Å
750	V	93.6	Very high	79.5	Confident	37 Å²	37	82.1 Å²	82.1	22%	0.224	44%	0.44	C	S	.	.	H	α-helix	trans	-73.9	-42.9	171.9	178.7	0	0	0	0	110.7	P745 S746 I747 C748 E752 L753 I754 P797	P745-V750 HydrophobicContact CB-CG2 4.16Å; P745-V750 HydrophobicContact CG-CG2 3.97Å; S746-V750 PolarHBondContact O-N 3.38Å; I747-V750 PolarHBondContact O-N 3.38Å; I747-V750 VanDerWaalsContact O-N 3.08Å; C748-V750 VanDerWaalsContact C-N 3.29Å; C748-V750 PolarHBondContact O-N 2.73Å; V750-E752 VanDerWaalsContact C-N 3.3Å; V750-E752 PolarHBondContact O-N 3.3Å; V750-L753 PolarHBondContact O-N 3.41Å; V750-I754 WeakPolarHBondContact O-CG1 3.48Å; V750-I754 WeakPolarHBondContact O-CG2 3.35Å; V750-I754 PolarHBondContact O-N 2.91Å; V750-I754 VanDerWaalsContact O-N 3.13Å; V750-P797 HydrophobicContact CG1-CG 3.92Å
751	L	95.1	Very high	82.2	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.005	41%	0.412	C	S	.	.	H	α-helix	trans	-62	-37.5	176.8	-66.9	-177.8	0	0	0	112.3	I747 C748 I754 E755 L796 L879 V883 Y908	I747-L751 HydrophobicContact CG2-CD1 4.33Å; I747-L751 HydrophobicContact CG2-CG 4.18Å; I747-L751 WeakPolarHBondContact O-CG 3.38Å; I747-L751 PolarHBondContact O-N 2.72Å; C748-L751 PolarHBondContact O-N 3.31Å; L751-I754 HydrophobicContact CD2-CD1 4.08Å; L751-I754 WeakPolarHBondContact O-CG1 3.4Å; L751-E755 PolarHBondContact O-N 3.21Å; L751-L796 HydrophobicContact CD2-CD2 3.37Å; L751-L879 HydrophobicContact CB-CB 4.01Å; L751-L879 HydrophobicContact CB-CD1 4.19Å; L751-L879 HydrophobicContact CB-CD2 4.4Å; L751-L879 HydrophobicContact CB-CG 4.44Å; L751-L879 HydrophobicContact CD1-CB 4.06Å; L751-V883 HydrophobicContact CD1-CG2 4.15Å; L751-V883 HydrophobicContact CD2-CG2 3.81Å; L751-Y908 HydrophobicContact CD1-CD1 4.44Å; L751-Y908 HydrophobicContact CD1-CE1 4.11Å; L751-Y908 HydrophobicContact CD2-CE1 4.11Å
752	E	93.9	Very high	84.2	Confident	100 Å²	100	74 Å²	74	47%	0.467	40%	0.396	S	S	.	.	H	α-helix	trans	-65.7	-45.2	174.4	174.4	166.1	-129	0	0	111.7	C748 V750 I754 E755 Y875 L879	C748-E752 WeakPolarHBondContact O-CB 3.4Å; C748-E752 PolarHBondContact O-N 3.03Å; V750-E752 VanDerWaalsContact C-N 3.3Å; V750-E752 PolarHBondContact O-N 3.3Å; E752-I754 VanDerWaalsContact C-N 3.31Å; E752-I754 PolarHBondContact O-N 3.38Å; E752-E755 PolarHBondContact O-N 2.87Å; E752-Y875 HydrophobicContact CB-CE1 4.42Å; E752-Y875 HydrophobicContact CG-CE1 3.94Å; E752-L879 HydrophobicContact CB-CD1 3.95Å
753	L	93.1	Very high	86.1	Confident	148 Å²	148	65.7 Å²	65.7	78%	0.775	36%	0.36	S	S	*	.	H	α-helix	trans	-66.7	-27	179.9	-179.5	62	0	0	0	114	S749 V750	S749-L753 WeakPolarHBondContact O-CB 3.38Å; S749-L753 PolarHBondContact O-N 3.47Å; V750-L753 PolarHBondContact O-N 3.41Å
754	I	94.4	Very high	87.4	Confident	34 Å²	34	61.8 Å²	61.8	17%	0.174	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.6	-179.9	68	-179.7	0	0	0	113.9	V750 L751 E752 V795 L796	V750-I754 WeakPolarHBondContact O-CG1 3.48Å; V750-I754 WeakPolarHBondContact O-CG2 3.35Å; V750-I754 PolarHBondContact O-N 2.91Å; V750-I754 VanDerWaalsContact O-N 3.13Å; L751-I754 HydrophobicContact CD2-CD1 4.08Å; L751-I754 WeakPolarHBondContact O-CG1 3.4Å; E752-I754 VanDerWaalsContact C-N 3.31Å; E752-I754 PolarHBondContact O-N 3.38Å; I754-V795 HydrophobicContact CB-CG2 3.68Å; I754-V795 HydrophobicContact CD1-CG2 4.11Å; I754-V795 HydrophobicContact CG1-CG2 4.39Å; I754-V795 HydrophobicContact CG2-CB 4.22Å; I754-V795 HydrophobicContact CG2-CG2 3.68Å; I754-L796 HydrophobicContact CD1-CD2 3.76Å; I754-L796 HydrophobicContact CD1-CG 4.33Å
755	E	93.5	Very high	88.5	Confident	45 Å²	45	61 Å²	61	21%	0.21	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-61.1	127.6	-175.3	-172.3	68.5	-179.6	0	0	110.1	L751 E752 W792 L879 K882	L751-E755 PolarHBondContact O-N 3.21Å; E752-E755 PolarHBondContact O-N 2.87Å; E755-W792 PolarHBondContact OE2-NE1 2.63Å; E755-L879 HydrophobicContact CB-CD2 4.48Å; E755-L879 HydrophobicContact CG-CD2 4.42Å; E755-K882 IonicContact OE1-NZ 3.77Å; E755-K882 PolarHBondContact OE1-NZ 2.73Å; E755-K882 IonicContact OE2-NZ 2.66Å; E755-K882 PolarHBondContact OE2-NZ 2.72Å
756	P	90.1	Very high	89	Confident	43 Å²	43	60.9 Å²	60.9	28%	0.279	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-68.7	139.2	-172.6	25.8	-34.2	0	0	0	112.2	R788 W792	P756-R788 HydrophobicContact CB-CB 3.93Å; P756-W792 HydrophobicContact CG-CB 4.37Å
757	E	84.4	Confident	89	Confident	132 Å²	132	63 Å²	63	62%	0.617	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-47.1	147.3	168.6	-57.9	171.2	144.9	0	0	112.4	R788	E757-R788 IonicContact OE2-CZ 2.89Å; E757-R788 IonicContact OE2-NH1 2.78Å; E757-R788 PolarHBondContact OE2-NH1 2.99Å; E757-R788 IonicContact OE2-NH2 2.63Å; E757-R788 PolarHBondContact OE2-NH2 3.41Å
758	E	83.3	Confident	88.8	Confident	90 Å²	90	64.4 Å²	64.4	42%	0.421	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61.9	152.6	175.9	-61.7	-147.9	119.9	0	0	112.6	R826	E758-R826 WeakPolarHBondContact OE1-CD 3.5Å
759	V	89.9	Confident	88.8	Confident	21 Å²	21	66.4 Å²	66.4	13%	0.127	36%	0.358	C	S	.	.			trans	-124.4	117.9	-171.6	177.9	0	0	0	0	109.7	L781 K784 Q785 R788 A839	V759-L781 HydrophobicContact CB-CD1 4.32Å; V759-L781 HydrophobicContact CG1-CD1 3.86Å; V759-L781 WeakPolarHBondContact O-CD1 3.34Å; V759-K784 HydrophobicContact CG1-CB 3.49Å; V759-K784 VanDerWaalsContact CG1-CB 3.49Å; V759-K784 HydrophobicContact CG1-CD 3.99Å; V759-K784 HydrophobicContact CG1-CG 4.36Å; V759-Q785 HydrophobicContact CB-CG 4.14Å; V759-Q785 HydrophobicContact CG1-CG 4.31Å; V759-Q785 HydrophobicContact CG2-CG 4.32Å; V759-R788 HydrophobicContact CG2-CG 3.64Å; V759-A839 VanDerWaalsContact O-CB 3.23Å; V759-A839 WeakPolarHBondContact O-CB 3.43Å
760	Y	88.3	Confident	88.9	Confident	150 Å²	150	66.3 Å²	66.3	59%	0.588	36%	0.355	S	S	*	.			trans	-73.8	132.6	171.2	-66.6	-96.2	0	0	0	110.8	G762 K784 P840 D841	Y760-G762 VanDerWaalsContact C-N 3.29Å; Y760-G762 PolarHBondContact O-N 2.7Å; Y760-K784 WeakPolarHBondContact O-CD 3.34Å; Y760-K784 PolarHBondContact O-NZ 3.39Å; Y760-P840 HydrophobicContact CD1-CB 4.26Å; Y760-P840 HydrophobicContact CE1-CB 3.74Å; Y760-P840 HydrophobicContact CE1-CG 4.14Å; Y760-D841 HydrophobicContact CD1-CB 4.18Å
761	S	88.8	Confident	88.7	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.361	C	S	.	.			trans	-68	-30.5	178.3	62.7	0	0	0	0	112.3	Y763 R780 K784 D841 L842	S761-Y763 WeakPolarHBondContact OG-CB 3.5Å; S761-Y763 PolarHBondContact OG-N 2.9Å; S761-R780 PolarHBondContact O-NE 3.24Å; S761-K784 PolarHBondContact O-NZ 3Å; S761-D841 WeakPolarHBondContact CB-OD1 3.33Å; S761-D841 PolarHBondContact N-OD1 3.16Å; S761-D841 PolarHBondContact N-OD2 3.04Å; S761-D841 VanDerWaalsContact N-OD2 3.11Å; S761-D841 PolarHBondContact OG-OD1 2.96Å; S761-D841 PolarHBondContact OG-OD2 3.44Å; S761-D841 VanDerWaalsContact OG-OD2 3.14Å; S761-L842 WeakPolarHBondContact OG-CB 3.48Å
762	G	85.4	Confident	88.6	Confident	40 Å²	40	70 Å²	70	41%	0.412	38%	0.376	S	S	.	.			trans	67.3	56.5	-162.2	0	0	0	0	0	109.4	Y760 R780 D841	Y760-G762 VanDerWaalsContact C-N 3.29Å; Y760-G762 PolarHBondContact O-N 2.7Å; G762-R780 PolarHBondContact O-NH2 2.57Å; G762-D841 WeakPolarHBondContact CA-OD2 3.2Å; G762-D841 PolarHBondContact N-OD2 3.4Å
763	Y	87.9	Confident	88.5	Confident	15 Å²	15	67 Å²	67	6%	0.059	36%	0.361	C	S	.	.			trans	-89.4	127	175.2	-166.8	-101.1	0	0	0	110.8	S761 N765 D769 H773 L774 S777 D841 L842 R848	S761-Y763 WeakPolarHBondContact OG-CB 3.5Å; S761-Y763 PolarHBondContact OG-N 2.9Å; Y763-N765 WeakPolarHBondContact CD1-OD1 3.25Å; Y763-N765 PolarHBondContact O-N 3.11Å; Y763-D769 PolarHBondContact OH-OD1 3.04Å; Y763-H773 AromaticContact CE2-CE1 3.3Å; Y763-H773 WeakPolarHBondContact CE2-CE1 3.49Å; Y763-H773 AromaticContact CE2-ND1 3.7Å; Y763-H773 AromaticContact CE2-NE2 3.76Å; Y763-H773 AromaticContact CZ-CE1 3.32Å; Y763-H773 AromaticContact CZ-ND1 3.58Å; Y763-H773 PolarHBondContact OH-CE1 3.46Å; Y763-H773 PolarHBondContact OH-ND1 2.92Å; Y763-H773 VanDerWaalsContact OH-ND1 3.08Å; Y763-L774 HydrophobicContact CE2-CD2 4Å; Y763-L774 WeakPolarHBondContact OH-CD2 3.23Å; Y763-S777 WeakPolarHBondContact CD2-OG 3.44Å; Y763-D841 PolarHBondContact N-OD2 2.96Å; Y763-L842 HydrophobicContact CD1-CD1 4.08Å; Y763-L842 HydrophobicContact CD2-CD1 3.77Å; Y763-L842 HydrophobicContact CD2-CD2 4.32Å; Y763-L842 HydrophobicContact CE1-CD1 4.44Å; Y763-L842 HydrophobicContact CE2-CD1 4.15Å; Y763-L842 HydrophobicContact CG-CD1 3.73Å; Y763-R848 VanDerWaalsContact CE1-NH1 3.32Å
764	D	84.8	Confident	88.5	Confident	69 Å²	69	60 Å²	60	37%	0.369	33%	0.325	S	S	.	.			trans	-89.2	100.9	175.1	-177.3	2.7	0	0	0	109.8	S766 Q767	D764-S766 VanDerWaalsContact CG-OG 3.22Å; D764-S766 PolarHBondContact O-N 3.31Å; D764-S766 VanDerWaalsContact OD1-CB 3.27Å; D764-S766 WeakPolarHBondContact OD1-CB 3.42Å; D764-S766 PolarHBondContact OD1-N 3.03Å; D764-S766 PolarHBondContact OD1-OG 3.05Å; D764-S766 PolarHBondContact OD2-OG 3.16Å; D764-S766 VanDerWaalsContact OD2-OG 3.11Å; D764-Q767 HydrophobicContact CB-CG 4.02Å; D764-Q767 PolarHBondContact O-N 3.21Å; D764-Q767 WeakPolarHBondContact OD2-CG 3.46Å; D764-Q767 PolarHBondContact OD2-NE2 2.86Å; D764-Q767 VanDerWaalsContact OD2-NE2 3.15Å
765	N	83.4	Confident	88.5	Confident	98 Å²	98	58.7 Å²	58.7	52%	0.524	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	6.5	176.8	-68.3	-78.4	0	0	0	113.4	Y763 R848	Y763-N765 WeakPolarHBondContact CD1-OD1 3.25Å; Y763-N765 PolarHBondContact O-N 3.11Å; N765-R848 PolarHBondContact OD1-NH1 3.34Å; N765-R848 PolarHBondContact OD1-NH2 2.93Å
766	S	84.6	Confident	88.5	Confident	94 Å²	94	57 Å²	57	66%	0.657	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-17.8	167.1	77.3	0	0	0	0	113.5	D764	D764-S766 VanDerWaalsContact CG-OG 3.22Å; D764-S766 PolarHBondContact O-N 3.31Å; D764-S766 VanDerWaalsContact OD1-CB 3.27Å; D764-S766 WeakPolarHBondContact OD1-CB 3.42Å; D764-S766 PolarHBondContact OD1-N 3.03Å; D764-S766 PolarHBondContact OD1-OG 3.05Å; D764-S766 PolarHBondContact OD2-OG 3.16Å; D764-S766 VanDerWaalsContact OD2-OG 3.11Å
767	Q	85.4	Confident	88.7	Confident	95 Å²	95	55 Å²	55	44%	0.444	30%	0.298	S	S	.	.	S	Bend	trans	-80.3	155.3	171.2	-57.9	-55.5	-32.4	0	0	111	D764 H773	D764-Q767 HydrophobicContact CB-CG 4.02Å; D764-Q767 PolarHBondContact O-N 3.21Å; D764-Q767 WeakPolarHBondContact OD2-CG 3.46Å; D764-Q767 PolarHBondContact OD2-NE2 2.86Å; D764-Q767 VanDerWaalsContact OD2-NE2 3.15Å; Q767-H773 VanDerWaalsContact CB-CE1 3.49Å; Q767-H773 WeakPolarHBondContact CB-CE1 3.34Å
768	P	86.7	Confident	89.2	Confident	83 Å²	83	49.4 Å²	49.4	54%	0.539	27%	0.273	S	S	.	.			trans	-65.3	149.4	171.1	27.9	-35.1	0	0	0	112.3	T770 H773	P768-T770 HydrophobicContact CB-CG2 4.06Å; P768-T770 HydrophobicContact CG-CG2 3.98Å; P768-T770 PolarHBondContact O-N 3.21Å; P768-H773 PolarHBondContact O-ND1 2.99Å
769	D	88.5	Confident	89.8	Confident	43 Å²	43	46 Å²	46	23%	0.23	26%	0.257	C	S	.	.			trans	-76	56.7	175.4	-73.7	-9.8	0	0	0	111.5	Y763 L774 R848 Q851	Y763-D769 PolarHBondContact OH-OD1 3.04Å; D769-L774 HydrophobicContact CB-CD1 4.28Å; D769-R848 VanDerWaalsContact CG-NE 3.25Å; D769-R848 IonicContact OD1-CZ 2.63Å; D769-R848 IonicContact OD1-NE 3.35Å; D769-R848 PolarHBondContact OD1-NE 2.77Å; D769-R848 IonicContact OD1-NH2 2.75Å; D769-R848 PolarHBondContact OD1-NH2 3Å; D769-R848 IonicContact OD2-CZ 2.72Å; D769-R848 IonicContact OD2-NE 2.72Å; D769-R848 PolarHBondContact OD2-NE 2.99Å; D769-R848 IonicContact OD2-NH2 3.11Å; D769-R848 PolarHBondContact OD2-NH2 2.83Å; D769-Q851 VanDerWaalsContact CB-OE1 3.27Å; D769-Q851 PolarHBondContact OD2-OE1 3.19Å
770	T	91.4	Very high	90	Very high	55 Å²	55	48.6 Å²	48.6	34%	0.337	27%	0.265	S	S	.	.			trans	-78.5	152.7	176.5	66	0	0	0	0	111.8	P768 D772 H773 L774	P768-T770 HydrophobicContact CB-CG2 4.06Å; P768-T770 HydrophobicContact CG-CG2 3.98Å; P768-T770 PolarHBondContact O-N 3.21Å; T770-D772 VanDerWaalsContact C-N 3.31Å; T770-D772 WeakPolarHBondContact CB-OD1 3.27Å; T770-D772 PolarHBondContact O-N 3.31Å; T770-D772 PolarHBondContact OG1-OD1 3.41Å; T770-H773 PolarHBondContact O-N 3.48Å; T770-H773 WeakPolarHBondContact OG1-CB 3.07Å; T770-H773 PolarHBondContact OG1-N 3.03Å; T770-L774 WeakPolarHBondContact O-CB 3.47Å; T770-L774 VanDerWaalsContact O-CG 3.31Å; T770-L774 WeakPolarHBondContact O-CG 3.45Å; T770-L774 PolarHBondContact O-N 3.49Å
771	T	90.8	Very high	90.3	Very high	57 Å²	57	41.6 Å²	41.6	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-49.9	-48	179.4	-61.1	0	0	0	0	113.2	L775 Q851 A853	T771-L775 HydrophobicContact CG2-CD1 3.8Å; T771-L775 HydrophobicContact CG2-CG 4.42Å; T771-L775 VanDerWaalsContact O-CB 3.31Å; T771-L775 WeakPolarHBondContact O-CB 3.49Å; T771-L775 WeakPolarHBondContact O-CG 3Å; T771-L775 PolarHBondContact O-N 3.3Å; T771-Q851 PolarHBondContact OG1-O 2.95Å; T771-A853 HydrophobicContact CG2-CB 3.51Å
772	D	91.8	Very high	90.6	Very high	58 Å²	58	42.5 Å²	42.5	31%	0.31	25%	0.245	S	C	.	.	H	α-helix	trans	-67.6	-42.2	-178.6	56.2	-43.2	0	0	0	112.3	T770 S776 L961 K962	T770-D772 VanDerWaalsContact C-N 3.31Å; T770-D772 WeakPolarHBondContact CB-OD1 3.27Å; T770-D772 PolarHBondContact O-N 3.31Å; T770-D772 PolarHBondContact OG1-OD1 3.41Å; D772-S776 VanDerWaalsContact O-CB 3.25Å; D772-S776 WeakPolarHBondContact O-CB 3.31Å; D772-S776 PolarHBondContact O-N 2.98Å; D772-S776 PolarHBondContact O-OG 2.86Å; D772-L961 WeakPolarHBondContact CB-O 3.2Å; D772-K962 HydrophobicContact CB-CB 4.32Å
773	H	92.2	Very high	91	Very high	36 Å²	36	40.9 Å²	40.9	17%	0.167	23%	0.229	C	C	.	.	H	α-helix	trans	-67.5	-41.4	176.3	180	-133.9	0	0	0	112.2	Y763 Q767 P768 T770 S777	Y763-H773 AromaticContact CE2-CE1 3.3Å; Y763-H773 WeakPolarHBondContact CE2-CE1 3.49Å; Y763-H773 AromaticContact CE2-ND1 3.7Å; Y763-H773 AromaticContact CE2-NE2 3.76Å; Y763-H773 AromaticContact CZ-CE1 3.32Å; Y763-H773 AromaticContact CZ-ND1 3.58Å; Y763-H773 PolarHBondContact OH-CE1 3.46Å; Y763-H773 PolarHBondContact OH-ND1 2.92Å; Y763-H773 VanDerWaalsContact OH-ND1 3.08Å; Q767-H773 VanDerWaalsContact CB-CE1 3.49Å; Q767-H773 WeakPolarHBondContact CB-CE1 3.34Å; P768-H773 PolarHBondContact O-ND1 2.99Å; T770-H773 PolarHBondContact O-N 3.48Å; T770-H773 WeakPolarHBondContact OG1-CB 3.07Å; T770-H773 PolarHBondContact OG1-N 3.03Å; H773-S777 VanDerWaalsContact O-CB 3.25Å; H773-S777 WeakPolarHBondContact O-CB 3.12Å; H773-S777 PolarHBondContact O-N 3.33Å; H773-S777 VanDerWaalsContact O-N 3.09Å; H773-S777 PolarHBondContact O-OG 3.44Å
774	L	93.3	Very high	91.3	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-49.9	175.3	-71.3	172.9	0	0	0	111.6	Y763 D769 T770 S777 L778 F844 R848 Q851	Y763-L774 HydrophobicContact CE2-CD2 4Å; Y763-L774 WeakPolarHBondContact OH-CD2 3.23Å; D769-L774 HydrophobicContact CB-CD1 4.28Å; T770-L774 WeakPolarHBondContact O-CB 3.47Å; T770-L774 VanDerWaalsContact O-CG 3.31Å; T770-L774 WeakPolarHBondContact O-CG 3.45Å; T770-L774 PolarHBondContact O-N 3.49Å; L774-S777 PolarHBondContact O-N 3.08Å; L774-L778 WeakPolarHBondContact O-CG 3.39Å; L774-L778 PolarHBondContact O-N 3.22Å; L774-F844 HydrophobicContact CB-CZ 4.27Å; L774-F844 HydrophobicContact CD1-CZ 4.45Å; L774-F844 HydrophobicContact CD2-CE1 4Å; L774-F844 HydrophobicContact CD2-CZ 3.89Å; L774-F844 HydrophobicContact CG-CZ 4.44Å; L774-R848 HydrophobicContact CD1-CG 4.04Å; L774-R848 HydrophobicContact CD2-CG 3.78Å; L774-Q851 HydrophobicContact CD1-CB 4.44Å
775	L	94.3	Very high	91.8	Very high	7 Å²	7	42 Å²	42	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-46.5	179.9	-72.5	175.3	0	0	0	112.1	T771 S777 L778 N779 M854 F950 T954 V963	T771-L775 HydrophobicContact CG2-CD1 3.8Å; T771-L775 HydrophobicContact CG2-CG 4.42Å; T771-L775 VanDerWaalsContact O-CB 3.31Å; T771-L775 WeakPolarHBondContact O-CB 3.49Å; T771-L775 WeakPolarHBondContact O-CG 3Å; T771-L775 PolarHBondContact O-N 3.3Å; L775-S777 VanDerWaalsContact C-N 3.26Å; L775-S777 PolarHBondContact O-N 3.42Å; L775-L778 PolarHBondContact O-N 3.16Å; L775-N779 PolarHBondContact O-N 3.18Å; L775-M854 HydrophobicContact CD2-CE 3.77Å; L775-F950 HydrophobicContact CD1-CZ 4.5Å; L775-F950 HydrophobicContact CD2-CE1 3.9Å; L775-F950 HydrophobicContact CD2-CZ 4.15Å; L775-T954 HydrophobicContact CD1-CG2 4.36Å; L775-V963 HydrophobicContact CB-CG1 3.9Å; L775-V963 HydrophobicContact CB-CG2 3.85Å; L775-V963 HydrophobicContact CD1-CG2 3.82Å
776	S	93.7	Very high	92.3	Very high	10 Å²	10	37.4 Å²	37.4	7%	0.07	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-36.6	177.6	-57.4	0	0	0	0	111.9	D772 N779 R780 V963 E964	D772-S776 VanDerWaalsContact O-CB 3.25Å; D772-S776 WeakPolarHBondContact O-CB 3.31Å; D772-S776 PolarHBondContact O-N 2.98Å; D772-S776 PolarHBondContact O-OG 2.86Å; S776-N779 PolarHBondContact O-N 3.24Å; S776-R780 WeakPolarHBondContact O-CB 3.28Å; S776-R780 PolarHBondContact O-N 2.92Å; S776-V963 WeakPolarHBondContact OG-CA 3.4Å; S776-E964 PolarHBondContact OG-N 3.38Å
777	S	93.6	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-72.6	-35.2	176.1	-61.9	0	0	0	0	113.3	Y763 H773 L774 L775 R780 L781	Y763-S777 WeakPolarHBondContact CD2-OG 3.44Å; H773-S777 VanDerWaalsContact O-CB 3.25Å; H773-S777 WeakPolarHBondContact O-CB 3.12Å; H773-S777 PolarHBondContact O-N 3.33Å; H773-S777 VanDerWaalsContact O-N 3.09Å; H773-S777 PolarHBondContact O-OG 3.44Å; L774-S777 PolarHBondContact O-N 3.08Å; L775-S777 VanDerWaalsContact C-N 3.26Å; L775-S777 PolarHBondContact O-N 3.42Å; S777-R780 PolarHBondContact OG-NH2 2.68Å; S777-L781 WeakPolarHBondContact O-CB 3.44Å; S777-L781 PolarHBondContact O-N 2.85Å
778	L	95.3	Very high	93	Very high	15 Å²	15	35 Å²	35	8%	0.079	19%	0.185	C	C	.	.	H	α-helix	trans	-65.6	-41.5	171	-73.4	173.8	0	0	0	111.5	L774 L775 L781 A782 F838 L842 F844 M854	L774-L778 WeakPolarHBondContact O-CG 3.39Å; L774-L778 PolarHBondContact O-N 3.22Å; L775-L778 PolarHBondContact O-N 3.16Å; L778-L781 WeakPolarHBondContact O-CB 3.2Å; L778-L781 PolarHBondContact O-N 2.67Å; L778-A782 WeakPolarHBondContact O-CB 3.48Å; L778-A782 PolarHBondContact O-N 2.95Å; L778-F838 HydrophobicContact CD2-CB 4.18Å; L778-F838 HydrophobicContact CD2-CD1 3.41Å; L778-F838 VanDerWaalsContact CD2-CD1 3.41Å; L778-F838 HydrophobicContact CD2-CD2 4.06Å; L778-F838 HydrophobicContact CD2-CE1 3.64Å; L778-F838 HydrophobicContact CD2-CE2 4.25Å; L778-F838 HydrophobicContact CD2-CG 3.63Å; L778-F838 HydrophobicContact CD2-CZ 4.06Å; L778-L842 HydrophobicContact CD2-CD2 3.94Å; L778-L842 HydrophobicContact CG-CD2 4.47Å; L778-F844 HydrophobicContact CD1-CE1 4.48Å; L778-F844 HydrophobicContact CD1-CE2 4.3Å; L778-F844 HydrophobicContact CD1-CZ 3.77Å; L778-F844 HydrophobicContact CD2-CE1 4.34Å; L778-F844 HydrophobicContact CD2-CZ 4.41Å; L778-F844 HydrophobicContact CG-CZ 4.26Å; L778-M854 HydrophobicContact CD1-CE 4.02Å; L778-M854 HydrophobicContact CD1-SD 3.7Å
779	N	95.1	Very high	93.4	Very high	19 Å²	19	31.7 Å²	31.7	10%	0.102	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-44.5	174.5	-73.4	-12.5	0	0	0	111.9	L775 S776 L781 A782 G783 V963 E964 F965 L969	L775-N779 PolarHBondContact O-N 3.18Å; S776-N779 PolarHBondContact O-N 3.24Å; N779-L781 VanDerWaalsContact C-N 3.31Å; N779-L781 PolarHBondContact O-N 2.92Å; N779-A782 PolarHBondContact O-N 3.34Å; N779-G783 PolarHBondContact O-N 3.16Å; N779-V963 VanDerWaalsContact ND2-CG1 3.26Å; N779-V963 WeakPolarHBondContact ND2-CG1 3.46Å; N779-E964 VanDerWaalsContact CB-O 3.27Å; N779-E964 WeakPolarHBondContact CB-O 3.4Å; N779-E964 PolarHBondContact ND2-O 3.21Å; N779-F965 WeakPolarHBondContact ND2-CD1 3.34Å; N779-F965 VanDerWaalsContact ND2-CE1 3.27Å; N779-F965 WeakPolarHBondContact ND2-CE1 3.46Å; N779-F965 WeakPolarHBondContact ND2-CE2 3.35Å; N779-F965 WeakPolarHBondContact ND2-CZ 3.43Å; N779-L969 WeakPolarHBondContact O-CD1 3.25Å
780	R	94.5	Very high	93.7	Very high	76 Å²	76	29.8 Å²	29.8	29%	0.287	15%	0.152	S	C	.	.	H	α-helix	trans	-58.5	-41	173.3	-177.3	168	65.1	-110.5	3	111.9	S761 G762 S776 S777 K784	S761-R780 PolarHBondContact O-NE 3.24Å; G762-R780 PolarHBondContact O-NH2 2.57Å; S776-R780 WeakPolarHBondContact O-CB 3.28Å; S776-R780 PolarHBondContact O-N 2.92Å; S777-R780 PolarHBondContact OG-NH2 2.68Å; R780-K784 WeakPolarHBondContact O-CG 3.23Å; R780-K784 PolarHBondContact O-N 2.8Å
781	L	95.4	Very high	93.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-66.3	-46.1	173.5	177	62.3	0	0	0	112.1	V759 S777 L778 N779 G783 K784 Q785 F838 A839	V759-L781 HydrophobicContact CB-CD1 4.32Å; V759-L781 HydrophobicContact CG1-CD1 3.86Å; V759-L781 WeakPolarHBondContact O-CD1 3.34Å; S777-L781 WeakPolarHBondContact O-CB 3.44Å; S777-L781 PolarHBondContact O-N 2.85Å; L778-L781 WeakPolarHBondContact O-CB 3.2Å; L778-L781 PolarHBondContact O-N 2.67Å; N779-L781 VanDerWaalsContact C-N 3.31Å; N779-L781 PolarHBondContact O-N 2.92Å; L781-G783 PolarHBondContact O-N 3.41Å; L781-K784 WeakPolarHBondContact O-CB 3.19Å; L781-K784 PolarHBondContact O-N 3.37Å; L781-Q785 HydrophobicContact CD1-CG 4.15Å; L781-Q785 HydrophobicContact CG-CG 4.4Å; L781-Q785 WeakPolarHBondContact O-CG 3.38Å; L781-Q785 PolarHBondContact O-N 3.39Å; L781-F838 HydrophobicContact CD2-CB 3.79Å; L781-A839 HydrophobicContact CD1-CB 3.95Å; L781-A839 HydrophobicContact CD2-CB 3.88Å
782	A	95.1	Very high	94	Very high	18 Å²	18	30.6 Å²	30.6	15%	0.149	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-39.2	-179.4	0	0	0	0	0	112.1	L778 N779 Q785 M786 W815 L969	L778-A782 WeakPolarHBondContact O-CB 3.48Å; L778-A782 PolarHBondContact O-N 2.95Å; N779-A782 PolarHBondContact O-N 3.34Å; A782-Q785 PolarHBondContact O-N 2.75Å; A782-M786 PolarHBondContact O-N 3.44Å; A782-W815 HydrophobicContact CB-CZ3 4.36Å; A782-L969 HydrophobicContact CB-CD1 3.87Å
783	G	94.2	Very high	94.2	Very high	7 Å²	7	27.9 Å²	27.9	7%	0.072	13%	0.132	C	C	.	.	H	α-helix	trans	-60.4	-46	171.9	0	0	0	0	0	112.6	N779 L781 Q785 M786 V787	N779-G783 PolarHBondContact O-N 3.16Å; L781-G783 PolarHBondContact O-N 3.41Å; G783-Q785 VanDerWaalsContact C-N 3.34Å; G783-Q785 PolarHBondContact O-N 2.95Å; G783-M786 WeakPolarHBondContact O-CB 3.26Å; G783-M786 PolarHBondContact O-N 2.96Å; G783-V787 PolarHBondContact O-N 3.43Å
784	K	93.6	Very high	94.2	Very high	81 Å²	81	27.5 Å²	27.5	35%	0.352	13%	0.129	S	C	.	.	H	α-helix	trans	-61.6	-39.9	173.5	-67.5	167.1	168.8	-179.8	0	112.3	V759 Y760 S761 R780 L781 V787 R788	V759-K784 HydrophobicContact CG1-CB 3.49Å; V759-K784 VanDerWaalsContact CG1-CB 3.49Å; V759-K784 HydrophobicContact CG1-CD 3.99Å; V759-K784 HydrophobicContact CG1-CG 4.36Å; Y760-K784 WeakPolarHBondContact O-CD 3.34Å; Y760-K784 PolarHBondContact O-NZ 3.39Å; S761-K784 PolarHBondContact O-NZ 3Å; R780-K784 WeakPolarHBondContact O-CG 3.23Å; R780-K784 PolarHBondContact O-N 2.8Å; L781-K784 WeakPolarHBondContact O-CB 3.19Å; L781-K784 PolarHBondContact O-N 3.37Å; K784-V787 PolarHBondContact O-N 2.92Å; K784-R788 PolarHBondContact O-N 2.89Å
785	Q	94.3	Very high	94.2	Very high	26 Å²	26	30.3 Å²	30.3	12%	0.121	15%	0.147	C	C	.	.	H	α-helix	trans	-68.9	-34.8	177.8	-72.5	-175.5	13.7	0	0	112	V759 L781 A782 G783 R788 M789 F838	V759-Q785 HydrophobicContact CB-CG 4.14Å; V759-Q785 HydrophobicContact CG1-CG 4.31Å; V759-Q785 HydrophobicContact CG2-CG 4.32Å; L781-Q785 HydrophobicContact CD1-CG 4.15Å; L781-Q785 HydrophobicContact CG-CG 4.4Å; L781-Q785 WeakPolarHBondContact O-CG 3.38Å; L781-Q785 PolarHBondContact O-N 3.39Å; A782-Q785 PolarHBondContact O-N 2.75Å; G783-Q785 VanDerWaalsContact C-N 3.34Å; G783-Q785 PolarHBondContact O-N 2.95Å; Q785-R788 PolarHBondContact O-N 2.73Å; Q785-M789 WeakPolarHBondContact O-CB 3.23Å; Q785-M789 PolarHBondContact O-N 2.72Å; Q785-F838 PolarHBondContact NE2-O 2.66Å
786	M	94.2	Very high	94.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-47.1	173.5	-171.7	74.9	76.1	0	0	111.6	A782 G783 R788 M789 V790 I811 W815 M968 L969 I972	A782-M786 PolarHBondContact O-N 3.44Å; G783-M786 WeakPolarHBondContact O-CB 3.26Å; G783-M786 PolarHBondContact O-N 2.96Å; M786-R788 PolarHBondContact O-N 3.3Å; M786-M789 WeakPolarHBondContact O-CB 3.49Å; M786-M789 PolarHBondContact O-N 3.5Å; M786-M789 VanDerWaalsContact O-N 3.08Å; M786-M789 HydrophobicContact SD-SD 4.39Å; M786-V790 WeakPolarHBondContact O-CG2 3.45Å; M786-V790 PolarHBondContact O-N 2.66Å; M786-I811 HydrophobicContact SD-CG2 4.28Å; M786-W815 HydrophobicContact CE-CB 3.43Å; M786-W815 VanDerWaalsContact CE-CB 3.43Å; M786-W815 HydrophobicContact CE-CD2 3.64Å; M786-W815 HydrophobicContact CE-CE3 3.57Å; M786-W815 HydrophobicContact CE-CG 3.64Å; M786-W815 HydrophobicContact SD-CB 3.89Å; M786-M968 HydrophobicContact CB-CG 4.43Å; M786-M968 HydrophobicContact CB-SD 3.68Å; M786-M968 HydrophobicContact CG-CG 3.94Å; M786-M968 HydrophobicContact CG-SD 3.41Å; M786-M968 WeakPolarHBondContact CG-SD 3.39Å; M786-L969 HydrophobicContact CE-CD2 3.76Å; M786-I972 HydrophobicContact CE-CD1 3.63Å; M786-I972 HydrophobicContact CE-CG2 4.03Å; M786-I972 HydrophobicContact CG-CD1 3.9Å; M786-I972 HydrophobicContact SD-CD1 3.85Å
787	V	92	Very high	94.3	Very high	58 Å²	58	32.1 Å²	32.1	35%	0.352	16%	0.158	S	C	.	.	H	α-helix	trans	-56.4	-39.5	176.3	177.6	0	0	0	0	111.7	G783 K784 K791 M968	G783-V787 PolarHBondContact O-N 3.43Å; K784-V787 PolarHBondContact O-N 2.92Å; V787-K791 WeakPolarHBondContact O-CG 3.38Å; V787-K791 PolarHBondContact O-N 2.66Å; V787-M968 HydrophobicContact CG2-CE 3.76Å; V787-M968 HydrophobicContact CG2-SD 3.73Å
788	R	92.9	Very high	94.3	Very high	80 Å²	80	34.5 Å²	34.5	30%	0.302	18%	0.182	S	C	.	.	H	α-helix	trans	-71	-42.3	175.2	-65.9	-62.1	-165.8	153.4	7.5	112.2	P756 E757 V759 K784 Q785 M786 V790 K791 W792	P756-R788 HydrophobicContact CB-CB 3.93Å; E757-R788 IonicContact OE2-CZ 2.89Å; E757-R788 IonicContact OE2-NH1 2.78Å; E757-R788 PolarHBondContact OE2-NH1 2.99Å; E757-R788 IonicContact OE2-NH2 2.63Å; E757-R788 PolarHBondContact OE2-NH2 3.41Å; V759-R788 HydrophobicContact CG2-CG 3.64Å; K784-R788 PolarHBondContact O-N 2.89Å; Q785-R788 PolarHBondContact O-N 2.73Å; M786-R788 PolarHBondContact O-N 3.3Å; R788-V790 VanDerWaalsContact C-N 3.35Å; R788-V790 PolarHBondContact O-N 2.95Å; R788-K791 PolarHBondContact O-N 3.11Å; R788-W792 WeakPolarHBondContact O-CB 3.36Å; R788-W792 PolarHBondContact O-N 3.3Å
789	M	95.1	Very high	94.3	Very high	15 Å²	15	33.8 Å²	33.8	7%	0.074	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-41.8	178.5	-172.4	-173.6	-58.7	0	0	112.1	Q785 M786 W792 A793 I811 W815 L818 S819	Q785-M789 WeakPolarHBondContact O-CB 3.23Å; Q785-M789 PolarHBondContact O-N 2.72Å; M786-M789 WeakPolarHBondContact O-CB 3.49Å; M786-M789 PolarHBondContact O-N 3.5Å; M786-M789 VanDerWaalsContact O-N 3.08Å; M786-M789 HydrophobicContact SD-SD 4.39Å; M789-W792 HydrophobicContact CG-CE3 4.48Å; M789-W792 WeakPolarHBondContact O-CB 3.39Å; M789-W792 PolarHBondContact O-N 3.24Å; M789-A793 WeakPolarHBondContact O-CB 3.32Å; M789-A793 PolarHBondContact O-N 3.31Å; M789-I811 HydrophobicContact SD-CG2 4.42Å; M789-W815 HydrophobicContact SD-CB 4.24Å; M789-L818 HydrophobicContact CE-CB 3.63Å; M789-L818 HydrophobicContact CE-CD1 4.41Å; M789-L818 HydrophobicContact CG-CD1 4.01Å; M789-L818 HydrophobicContact SD-CB 3.84Å; M789-L818 HydrophobicContact SD-CD1 3.48Å; M789-L818 WeakPolarHBondContact SD-CD1 3.46Å; M789-L818 HydrophobicContact SD-CG 4.31Å; M789-S819 WeakPolarHBondContact CE-OG 3.35Å
790	V	94.2	Very high	94.1	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-41.8	175.2	178.6	0	0	0	0	111.5	M110 L112 M786 R788 W792 A793 K794 I811	M110-V790 HydrophobicContact CB-CG1 4.13Å; M110-V790 HydrophobicContact CB-CG2 4.18Å; M110-V790 HydrophobicContact CE-CG1 4.43Å; M110-V790 HydrophobicContact CE-CG2 3.62Å; M110-V790 HydrophobicContact CG-CG2 4.05Å; M110-V790 VanDerWaalsContact O-CG1 3.27Å; M110-V790 WeakPolarHBondContact O-CG1 3.49Å; L112-V790 HydrophobicContact CG-CG1 4.32Å; M786-V790 WeakPolarHBondContact O-CG2 3.45Å; M786-V790 PolarHBondContact O-N 2.66Å; R788-V790 VanDerWaalsContact C-N 3.35Å; R788-V790 PolarHBondContact O-N 2.95Å; V790-W792 VanDerWaalsContact C-N 3.32Å; V790-W792 PolarHBondContact O-N 3.2Å; V790-A793 PolarHBondContact O-N 2.9Å; V790-K794 HydrophobicContact CG1-CD 4.09Å; V790-K794 VanDerWaalsContact CG1-CE 3.42Å; V790-K794 HydrophobicContact CG1-CG 4.48Å; V790-K794 WeakPolarHBondContact O-CB 3.43Å; V790-K794 WeakPolarHBondContact O-CD 3.42Å; V790-K794 VanDerWaalsContact O-CG 3.25Å; V790-K794 WeakPolarHBondContact O-CG 3.41Å; V790-K794 PolarHBondContact O-N 3.08Å; V790-I811 HydrophobicContact CG1-CD1 4.4Å; V790-I811 HydrophobicContact CG2-CD1 4.37Å; V790-I811 HydrophobicContact CG2-CG2 4.06Å
791	K	91.8	Very high	93.9	Very high	125 Å²	125	39.9 Å²	39.9	54%	0.543	22%	0.218	S	C	.	.	H	α-helix	trans	-60.8	-41.2	175.4	-74.4	174.8	-179.4	-177.7	0	111.7	V787 R788	V787-K791 WeakPolarHBondContact O-CG 3.38Å; V787-K791 PolarHBondContact O-N 2.66Å; R788-K791 PolarHBondContact O-N 3.11Å
792	W	96.8	Very high	93.9	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.019	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-50.7	173.2	169.8	81.5	0	0	0	112.2	E755 P756 R788 M789 V790 K794 V795 L796 L818 K882 V883 L886	E755-W792 PolarHBondContact OE2-NE1 2.63Å; P756-W792 HydrophobicContact CG-CB 4.37Å; R788-W792 WeakPolarHBondContact O-CB 3.36Å; R788-W792 PolarHBondContact O-N 3.3Å; M789-W792 HydrophobicContact CG-CE3 4.48Å; M789-W792 WeakPolarHBondContact O-CB 3.39Å; M789-W792 PolarHBondContact O-N 3.24Å; V790-W792 VanDerWaalsContact C-N 3.32Å; V790-W792 PolarHBondContact O-N 3.2Å; W792-K794 VanDerWaalsContact C-N 3.3Å; W792-K794 PolarHBondContact O-N 2.83Å; W792-V795 WeakPolarHBondContact O-CG2 3.26Å; W792-V795 PolarHBondContact O-N 3.3Å; W792-L796 HydrophobicContact CD2-CD1 4.46Å; W792-L796 HydrophobicContact CE3-CD1 4.25Å; W792-L796 HydrophobicContact CH2-CD1 3.93Å; W792-L796 HydrophobicContact CZ2-CD1 4.15Å; W792-L796 HydrophobicContact CZ2-CD2 3.99Å; W792-L796 HydrophobicContact CZ2-CG 4.48Å; W792-L796 HydrophobicContact CZ3-CD1 3.99Å; W792-L796 PolarHBondContact O-N 3.41Å; W792-L818 HydrophobicContact CH2-CD2 4.26Å; W792-L818 HydrophobicContact CZ3-CD1 4.28Å; W792-L818 HydrophobicContact CZ3-CD2 4.26Å; W792-K882 HydrophobicContact CH2-CD 4.04Å; W792-K882 HydrophobicContact CH2-CG 3.76Å; W792-K882 HydrophobicContact CZ2-CD 3.64Å; W792-K882 VanDerWaalsContact CZ2-CE 3.5Å; W792-K882 HydrophobicContact CZ2-CG 3.81Å; W792-V883 HydrophobicContact CH2-CG2 4.04Å; W792-V883 HydrophobicContact CZ2-CG2 3.75Å; W792-L886 HydrophobicContact CH2-CD2 4.49Å; W792-L886 HydrophobicContact CZ3-CB 4.45Å; W792-L886 HydrophobicContact CZ3-CD2 4.05Å
793	A	96.5	Very high	93.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-42.2	-179.9	0	0	0	0	0	112.1	M789 V790 V795 L796 F799 I811 L886	M789-A793 WeakPolarHBondContact O-CB 3.32Å; M789-A793 PolarHBondContact O-N 3.31Å; V790-A793 PolarHBondContact O-N 2.9Å; A793-V795 PolarHBondContact O-N 3.29Å; A793-L796 WeakPolarHBondContact O-CB 3.47Å; A793-L796 PolarHBondContact O-N 3.25Å; A793-L796 VanDerWaalsContact O-N 3.11Å; A793-F799 HydrophobicContact CB-CD1 4.21Å; A793-F799 HydrophobicContact CB-CE1 3.86Å; A793-F799 HydrophobicContact CB-CZ 4.16Å; A793-F799 WeakPolarHBondContact O-CB 3.41Å; A793-F799 WeakPolarHBondContact O-CD1 3.36Å; A793-F799 WeakPolarHBondContact O-CG 3.48Å; A793-I811 HydrophobicContact CB-CD1 3.73Å; A793-I811 HydrophobicContact CB-CG1 4.03Å; A793-L886 HydrophobicContact CB-CD2 4.21Å
794	K	92.8	Very high	93.9	Very high	28 Å²	28	42.6 Å²	42.6	12%	0.122	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-15	175	-75.9	167.5	-178.6	168.5	0	115.3	M110 G111 L112 V790 W792 R800	M110-K794 PolarHBondContact O-NZ 3.45Å; G111-K794 PolarHBondContact O-NZ 3.49Å; L112-K794 HydrophobicContact CD2-CD 4.28Å; L112-K794 HydrophobicContact CD2-CG 3.98Å; V790-K794 HydrophobicContact CG1-CD 4.09Å; V790-K794 VanDerWaalsContact CG1-CE 3.42Å; V790-K794 HydrophobicContact CG1-CG 4.48Å; V790-K794 WeakPolarHBondContact O-CB 3.43Å; V790-K794 WeakPolarHBondContact O-CD 3.42Å; V790-K794 VanDerWaalsContact O-CG 3.25Å; V790-K794 WeakPolarHBondContact O-CG 3.41Å; V790-K794 PolarHBondContact O-N 3.08Å; W792-K794 VanDerWaalsContact C-N 3.3Å; W792-K794 PolarHBondContact O-N 2.83Å; K794-R800 WeakPolarHBondContact O-CG 3.37Å; K794-R800 PolarHBondContact O-NE 2.93Å; K794-R800 PolarHBondContact O-NH2 3.22Å
795	V	93.9	Very high	93.8	Very high	61 Å²	61	41.7 Å²	41.7	37%	0.37	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	2.8	177.9	-64.7	0	0	0	0	113.5	I754 W792 A793	I754-V795 HydrophobicContact CB-CG2 3.68Å; I754-V795 HydrophobicContact CD1-CG2 4.11Å; I754-V795 HydrophobicContact CG1-CG2 4.39Å; I754-V795 HydrophobicContact CG2-CB 4.22Å; I754-V795 HydrophobicContact CG2-CG2 3.68Å; W792-V795 WeakPolarHBondContact O-CG2 3.26Å; W792-V795 PolarHBondContact O-N 3.3Å; A793-V795 PolarHBondContact O-N 3.29Å
796	L	96.1	Very high	93.9	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	22%	0.223	C	C	.	.	S	Bend	trans	-65	130.8	173.1	-75.7	172.3	0	0	0	111.8	L751 I754 W792 A793 G798 F799 V883 L886 M904	L751-L796 HydrophobicContact CD2-CD2 3.37Å; I754-L796 HydrophobicContact CD1-CD2 3.76Å; I754-L796 HydrophobicContact CD1-CG 4.33Å; W792-L796 HydrophobicContact CD2-CD1 4.46Å; W792-L796 HydrophobicContact CE3-CD1 4.25Å; W792-L796 HydrophobicContact CH2-CD1 3.93Å; W792-L796 HydrophobicContact CZ2-CD1 4.15Å; W792-L796 HydrophobicContact CZ2-CD2 3.99Å; W792-L796 HydrophobicContact CZ2-CG 4.48Å; W792-L796 HydrophobicContact CZ3-CD1 3.99Å; W792-L796 PolarHBondContact O-N 3.41Å; A793-L796 WeakPolarHBondContact O-CB 3.47Å; A793-L796 PolarHBondContact O-N 3.25Å; A793-L796 VanDerWaalsContact O-N 3.11Å; L796-G798 PolarHBondContact O-N 3.38Å; L796-F799 HydrophobicContact CB-CB 3.84Å; L796-F799 PolarHBondContact O-N 2.96Å; L796-F799 VanDerWaalsContact O-N 3.08Å; L796-V883 HydrophobicContact CD1-CG1 4.29Å; L796-V883 HydrophobicContact CD1-CG2 4.35Å; L796-V883 HydrophobicContact CD2-CG1 4.46Å; L796-V883 HydrophobicContact CD2-CG2 3.59Å; L796-L886 HydrophobicContact CD1-CD2 3.32Å; L796-M904 HydrophobicContact CB-CE 4.3Å
797	P	93.9	Very high	93.9	Very high	50 Å²	50	41.4 Å²	41.4	33%	0.325	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	125.3	169.9	-27	33.9	0	0	0	112	V750 Y908	V750-P797 HydrophobicContact CG1-CG 3.92Å; P797-Y908 WeakPolarHBondContact CB-OH 3.38Å; P797-Y908 WeakPolarHBondContact CD-OH 3.34Å; P797-Y908 PolarHBondContact O-OH 3.14Å
798	G	92.1	Very high	94	Very high	49 Å²	49	38.9 Å²	38.9	51%	0.505	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-32.3	-176.8	0	0	0	0	0	115.1	L796 R800 G801	L796-G798 PolarHBondContact O-N 3.38Å; G798-R800 PolarHBondContact O-N 3.44Å; G798-G801 PolarHBondContact O-N 2.88Å
799	F	96	Very high	94.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-64.6	-39.9	-168.7	-166.9	-102.9	0	0	0	113.6	A793 L796 G801 L802 Q807 L810 I811 L886 M904	A793-F799 HydrophobicContact CB-CD1 4.21Å; A793-F799 HydrophobicContact CB-CE1 3.86Å; A793-F799 HydrophobicContact CB-CZ 4.16Å; A793-F799 WeakPolarHBondContact O-CB 3.41Å; A793-F799 WeakPolarHBondContact O-CD1 3.36Å; A793-F799 WeakPolarHBondContact O-CG 3.48Å; L796-F799 HydrophobicContact CB-CB 3.84Å; L796-F799 PolarHBondContact O-N 2.96Å; L796-F799 VanDerWaalsContact O-N 3.08Å; F799-G801 PolarHBondContact O-N 2.88Å; F799-G801 VanDerWaalsContact O-N 3.12Å; F799-L802 HydrophobicContact CD2-CD1 4.03Å; F799-L802 HydrophobicContact CE2-CD1 4.29Å; F799-L802 WeakPolarHBondContact O-CB 3.46Å; F799-L802 PolarHBondContact O-N 3.08Å; F799-L802 VanDerWaalsContact O-N 3.11Å; F799-Q807 HydrophobicContact CD1-CB 4.48Å; F799-Q807 HydrophobicContact CD1-CG 3.95Å; F799-Q807 HydrophobicContact CE1-CB 3.61Å; F799-Q807 HydrophobicContact CE1-CG 3.56Å; F799-Q807 HydrophobicContact CE2-CG 4.43Å; F799-Q807 HydrophobicContact CZ-CB 3.66Å; F799-Q807 HydrophobicContact CZ-CG 3.83Å; F799-L810 HydrophobicContact CE2-CB 4.33Å; F799-L810 HydrophobicContact CE2-CD1 4.15Å; F799-I811 HydrophobicContact CE1-CD1 4Å; F799-I811 HydrophobicContact CZ-CD1 3.84Å; F799-I811 HydrophobicContact CZ-CG1 3.89Å; F799-L886 HydrophobicContact CD2-CD2 4.03Å; F799-L886 HydrophobicContact CE2-CD1 4.35Å; F799-L886 HydrophobicContact CE2-CD2 3.87Å; F799-L886 HydrophobicContact CE2-CG 4.3Å; F799-M904 HydrophobicContact CB-CE 3.78Å; F799-M904 HydrophobicContact CB-SD 4.3Å; F799-M904 HydrophobicContact CD2-CE 4.04Å; F799-M904 HydrophobicContact CD2-SD 4.31Å; F799-M904 HydrophobicContact CG-CE 4.41Å
800	R	91.5	Very high	94.1	Very high	167 Å²	167	35.5 Å²	35.5	63%	0.63	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-62.3	-15.2	173.9	-67.3	-168.2	-174.6	-170.8	2	114.5	K794 G798 L802	K794-R800 WeakPolarHBondContact O-CG 3.37Å; K794-R800 PolarHBondContact O-NE 2.93Å; K794-R800 PolarHBondContact O-NH2 3.22Å; G798-R800 PolarHBondContact O-N 3.44Å; R800-L802 VanDerWaalsContact C-N 3.33Å
801	G	89.9	Confident	94.2	Very high	57 Å²	57	35.4 Å²	35.4	59%	0.588	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-82.9	-9.3	176.7	0	0	0	0	0	113.9	G798 F799	G798-G801 PolarHBondContact O-N 2.88Å; F799-G801 PolarHBondContact O-N 2.88Å; F799-G801 VanDerWaalsContact O-N 3.12Å
802	L	94.9	Very high	94.3	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.037	17%	0.174	C	C	.	.	S	Bend	trans	-82.3	147.9	175	-56.4	178.7	0	0	0	110.6	F799 R800 D806 Q807 L810 A900 F901 M904	F799-L802 HydrophobicContact CD2-CD1 4.03Å; F799-L802 HydrophobicContact CE2-CD1 4.29Å; F799-L802 WeakPolarHBondContact O-CB 3.46Å; F799-L802 PolarHBondContact O-N 3.08Å; F799-L802 VanDerWaalsContact O-N 3.11Å; R800-L802 VanDerWaalsContact C-N 3.33Å; L802-D806 HydrophobicContact CB-CB 4.3Å; L802-Q807 HydrophobicContact CB-CG 3.96Å; L802-Q807 PolarHBondContact O-NE2 3.4Å; L802-L810 HydrophobicContact CD1-CD1 3.61Å; L802-A900 HydrophobicContact CD2-CB 3.77Å; L802-F901 HydrophobicContact CD2-CB 4.25Å; L802-M904 HydrophobicContact CD1-SD 4.23Å
803	P	94.7	Very high	94.1	Very high	36 Å²	36	30.3 Å²	30.3	23%	0.234	18%	0.177	C	C	.	.			trans	-47.9	147.8	166.9	-29	36.3	0	0	0	112.4	E805 D806 Q807 K896 N897	P803-E805 PolarHBondContact O-N 3.27Å; P803-D806 HydrophobicContact CB-CB 4.25Å; P803-D806 VanDerWaalsContact CD-OD2 3.3Å; P803-D806 WeakPolarHBondContact CD-OD2 3.49Å; P803-D806 WeakPolarHBondContact CG-OD2 3.35Å; P803-D806 WeakPolarHBondContact O-CB 3.33Å; P803-D806 PolarHBondContact O-N 3.21Å; P803-D806 VanDerWaalsContact O-N 3.08Å; P803-Q807 PolarHBondContact O-N 3.37Å; P803-K896 HydrophobicContact CB-CB 4.3Å; P803-K896 HydrophobicContact CB-CD 4.21Å; P803-K896 HydrophobicContact CG-CB 4.03Å; P803-N897 HydrophobicContact CG-CB 3.73Å
804	I	93.8	Very high	94	Very high	42 Å²	42	30.3 Å²	30.3	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-33.3	-173.8	-161.9	61.4	0	0	0	111.9	L112 Y113 Q807 I808	L112-I804 HydrophobicContact CB-CD1 4.12Å; L112-I804 HydrophobicContact CD2-CD1 4.07Å; Y113-I804 HydrophobicContact CE1-CG1 4.39Å; I804-Q807 WeakPolarHBondContact O-CB 3.29Å; I804-Q807 PolarHBondContact O-N 3.02Å; I804-I808 HydrophobicContact CG1-CD1 4.44Å; I804-I808 VanDerWaalsContact O-CD1 3.32Å; I804-I808 WeakPolarHBondContact O-CD1 3.39Å; I804-I808 WeakPolarHBondContact O-CG1 3.49Å; I804-I808 PolarHBondContact O-N 3.04Å
805	E	93	Very high	94.1	Very high	62 Å²	62	29.3 Å²	29.3	29%	0.29	17%	0.172	S	C	.	.	H	α-helix	trans	-74.1	-31.8	176.8	-49.9	92.9	146.4	0	0	112.5	P803 I808 T809 K896	P803-E805 PolarHBondContact O-N 3.27Å; E805-I808 PolarHBondContact O-N 3.23Å; E805-T809 VanDerWaalsContact O-CB 3.23Å; E805-T809 WeakPolarHBondContact O-CB 3.32Å; E805-T809 PolarHBondContact O-N 2.93Å; E805-T809 PolarHBondContact O-OG1 3.47Å; E805-K896 IonicContact OE1-NZ 3.46Å; E805-K896 PolarHBondContact OE1-NZ 3.12Å; E805-K896 IonicContact OE2-NZ 2.73Å; E805-K896 PolarHBondContact OE2-NZ 3.23Å
806	D	95.3	Very high	94.2	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.027	16%	0.16	C	C	.	.	H	α-helix	trans	-67.1	-39.8	171.3	-67.1	-9.4	0	0	0	110.2	L802 P803 L810 L895 K896 N897	L802-D806 HydrophobicContact CB-CB 4.3Å; P803-D806 HydrophobicContact CB-CB 4.25Å; P803-D806 VanDerWaalsContact CD-OD2 3.3Å; P803-D806 WeakPolarHBondContact CD-OD2 3.49Å; P803-D806 WeakPolarHBondContact CG-OD2 3.35Å; P803-D806 WeakPolarHBondContact O-CB 3.33Å; P803-D806 PolarHBondContact O-N 3.21Å; P803-D806 VanDerWaalsContact O-N 3.08Å; D806-L810 WeakPolarHBondContact O-CB 3.4Å; D806-L810 WeakPolarHBondContact O-CD1 3.25Å; D806-L810 VanDerWaalsContact O-CG 3.25Å; D806-L810 WeakPolarHBondContact O-CG 3.47Å; D806-L810 PolarHBondContact O-N 3.2Å; D806-L895 HydrophobicContact CB-CD2 4.17Å; D806-K896 WeakPolarHBondContact OD1-CB 3.16Å; D806-K896 PolarHBondContact OD1-N 3.45Å; D806-K896 PolarHBondContact OD2-N 3.03Å; D806-K896 VanDerWaalsContact OD2-N 3.17Å; D806-N897 PolarHBondContact OD2-N 3.23Å
807	Q	95.8	Very high	94.2	Very high	16 Å²	16	27.4 Å²	27.4	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-44.6	174.5	-68.4	-178.8	51	0	0	112.2	F799 L802 P803 I804 I811	F799-Q807 HydrophobicContact CD1-CB 4.48Å; F799-Q807 HydrophobicContact CD1-CG 3.95Å; F799-Q807 HydrophobicContact CE1-CB 3.61Å; F799-Q807 HydrophobicContact CE1-CG 3.56Å; F799-Q807 HydrophobicContact CE2-CG 4.43Å; F799-Q807 HydrophobicContact CZ-CB 3.66Å; F799-Q807 HydrophobicContact CZ-CG 3.83Å; L802-Q807 HydrophobicContact CB-CG 3.96Å; L802-Q807 PolarHBondContact O-NE2 3.4Å; P803-Q807 PolarHBondContact O-N 3.37Å; I804-Q807 WeakPolarHBondContact O-CB 3.29Å; I804-Q807 PolarHBondContact O-N 3.02Å; Q807-I811 WeakPolarHBondContact O-CD1 3.43Å; Q807-I811 WeakPolarHBondContact O-CG1 3.33Å; Q807-I811 PolarHBondContact O-N 3.17Å
808	I	93.9	Very high	94.3	Very high	4 Å²	4	25 Å²	25	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-55.7	175.9	-66.6	156.8	0	0	0	109.6	V106 A107 M110 L112 I804 E805 L810 I811 Q812	V106-I808 HydrophobicContact CB-CG2 4.5Å; V106-I808 HydrophobicContact CG1-CG2 3.63Å; A107-I808 HydrophobicContact CB-CD1 3.54Å; A107-I808 HydrophobicContact CB-CG1 4.21Å; M110-I808 HydrophobicContact SD-CG2 4.34Å; L112-I808 HydrophobicContact CD1-CG1 3.53Å; I804-I808 HydrophobicContact CG1-CD1 4.44Å; I804-I808 VanDerWaalsContact O-CD1 3.32Å; I804-I808 WeakPolarHBondContact O-CD1 3.39Å; I804-I808 WeakPolarHBondContact O-CG1 3.49Å; I804-I808 PolarHBondContact O-N 3.04Å; E805-I808 PolarHBondContact O-N 3.23Å; I808-L810 VanDerWaalsContact C-N 3.33Å; I808-L810 PolarHBondContact O-N 2.88Å; I808-I811 PolarHBondContact O-N 3.31Å; I808-I811 VanDerWaalsContact O-N 3.16Å; I808-Q812 HydrophobicContact CG2-CG 4.11Å; I808-Q812 WeakPolarHBondContact O-CB 3.48Å; I808-Q812 WeakPolarHBondContact O-CG 3.31Å; I808-Q812 PolarHBondContact O-N 2.96Å
809	T	93.8	Very high	94.5	Very high	25 Å²	25	23.5 Å²	23.5	15%	0.153	13%	0.125	C	C	.	.	H	α-helix	trans	-55.7	-44	-176.9	-59.6	0	0	0	0	112.3	E805 Q812 Y813 P891 L895	E805-T809 VanDerWaalsContact O-CB 3.23Å; E805-T809 WeakPolarHBondContact O-CB 3.32Å; E805-T809 PolarHBondContact O-N 2.93Å; E805-T809 PolarHBondContact O-OG1 3.47Å; T809-Q812 PolarHBondContact O-N 2.88Å; T809-Y813 HydrophobicContact CG2-CD2 3.61Å; T809-Y813 HydrophobicContact CG2-CE2 3.34Å; T809-Y813 WeakPolarHBondContact O-CD2 3.45Å; T809-Y813 PolarHBondContact O-N 3.1Å; T809-P891 HydrophobicContact CG2-CG 3.74Å; T809-L895 HydrophobicContact CG2-CD2 4.21Å
810	L	95.8	Very high	94.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.2	-42.6	179.3	-76.6	168.2	0	0	0	112.7	F799 L802 D806 I808 S814 L886 L887 V890 L895 F901	F799-L810 HydrophobicContact CE2-CB 4.33Å; F799-L810 HydrophobicContact CE2-CD1 4.15Å; L802-L810 HydrophobicContact CD1-CD1 3.61Å; D806-L810 WeakPolarHBondContact O-CB 3.4Å; D806-L810 WeakPolarHBondContact O-CD1 3.25Å; D806-L810 VanDerWaalsContact O-CG 3.25Å; D806-L810 WeakPolarHBondContact O-CG 3.47Å; D806-L810 PolarHBondContact O-N 3.2Å; I808-L810 VanDerWaalsContact C-N 3.33Å; I808-L810 PolarHBondContact O-N 2.88Å; L810-S814 VanDerWaalsContact O-CB 3.25Å; L810-S814 WeakPolarHBondContact O-CB 3.36Å; L810-S814 PolarHBondContact O-N 3.48Å; L810-S814 PolarHBondContact O-OG 3.17Å; L810-L886 HydrophobicContact CB-CD1 4.27Å; L810-L887 HydrophobicContact CD1-CD2 4.15Å; L810-V890 HydrophobicContact CD2-CG1 4.16Å; L810-L895 HydrophobicContact CD1-CD1 4.12Å; L810-L895 HydrophobicContact CD2-CD1 4.07Å; L810-L895 HydrophobicContact CG-CD1 4.17Å; L810-F901 HydrophobicContact CD1-CD2 3.98Å; L810-F901 HydrophobicContact CD1-CE2 4.33Å; L810-F901 HydrophobicContact CD2-CD2 4.1Å; L810-F901 HydrophobicContact CD2-CE2 3.66Å
811	I	95.6	Very high	94.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69.7	-43.7	177.5	-61	162.5	0	0	0	109.9	M110 M786 M789 V790 A793 F799 Q807 I808 Y813 S814 W815 L886	M110-I811 HydrophobicContact CE-CB 3.65Å; M110-I811 HydrophobicContact CE-CD1 3.68Å; M110-I811 HydrophobicContact CE-CG1 4.27Å; M110-I811 HydrophobicContact CE-CG2 3.65Å; M786-I811 HydrophobicContact SD-CG2 4.28Å; M789-I811 HydrophobicContact SD-CG2 4.42Å; V790-I811 HydrophobicContact CG1-CD1 4.4Å; V790-I811 HydrophobicContact CG2-CD1 4.37Å; V790-I811 HydrophobicContact CG2-CG2 4.06Å; A793-I811 HydrophobicContact CB-CD1 3.73Å; A793-I811 HydrophobicContact CB-CG1 4.03Å; F799-I811 HydrophobicContact CE1-CD1 4Å; F799-I811 HydrophobicContact CZ-CD1 3.84Å; F799-I811 HydrophobicContact CZ-CG1 3.89Å; Q807-I811 WeakPolarHBondContact O-CD1 3.43Å; Q807-I811 WeakPolarHBondContact O-CG1 3.33Å; Q807-I811 PolarHBondContact O-N 3.17Å; I808-I811 PolarHBondContact O-N 3.31Å; I808-I811 VanDerWaalsContact O-N 3.16Å; I811-Y813 PolarHBondContact O-N 3.29Å; I811-S814 PolarHBondContact O-N 3.2Å; I811-S814 PolarHBondContact O-OG 3.37Å; I811-W815 PolarHBondContact O-N 3.47Å; I811-W815 VanDerWaalsContact O-N 3.1Å; I811-L886 HydrophobicContact CG1-CD1 3.9Å
812	Q	93.7	Very high	95.2	Very high	3 Å²	3	13.9 Å²	13.9	1%	0.014	8%	0.075	C	C	.	.	H	α-helix	trans	-53.5	-54.6	175.7	-75.5	-176.9	-58.1	0	0	111.4	V106 I808 T809 S814 I972 D975 Q976	V106-Q812 HydrophobicContact CG1-CG 4.3Å; I808-Q812 HydrophobicContact CG2-CG 4.11Å; I808-Q812 WeakPolarHBondContact O-CB 3.48Å; I808-Q812 WeakPolarHBondContact O-CG 3.31Å; I808-Q812 PolarHBondContact O-N 2.96Å; T809-Q812 PolarHBondContact O-N 2.88Å; Q812-S814 VanDerWaalsContact C-N 3.32Å; Q812-S814 PolarHBondContact O-N 3.39Å; Q812-I972 HydrophobicContact CG-CG1 4.47Å; Q812-I972 HydrophobicContact CG-CG2 4.48Å; Q812-D975 PolarHBondContact NE2-OD2 3.5Å; Q812-D975 PolarHBondContact OE1-OD2 2.9Å; Q812-Q976 HydrophobicContact CB-CG 4.49Å; Q812-Q976 PolarHBondContact O-NE2 3.36Å; Q812-Q976 PolarHBondContact O-OE1 3.47Å
813	Y	93.6	Very high	95.3	Very high	20 Å²	20	13.8 Å²	13.8	8%	0.078	7%	0.074	C	C	.	.	H	α-helix	trans	-76.1	-11.3	-176.5	-64.6	-37.8	0	0	0	115.4	T809 I811 T889 P891 Q976 K979 T985	T809-Y813 HydrophobicContact CG2-CD2 3.61Å; T809-Y813 HydrophobicContact CG2-CE2 3.34Å; T809-Y813 WeakPolarHBondContact O-CD2 3.45Å; T809-Y813 PolarHBondContact O-N 3.1Å; I811-Y813 PolarHBondContact O-N 3.29Å; Y813-T889 HydrophobicContact CG-CG2 4.34Å; Y813-P891 HydrophobicContact CE2-CG 4.07Å; Y813-Q976 HydrophobicContact CD1-CG 4.02Å; Y813-Q976 HydrophobicContact CE1-CG 4.1Å; Y813-K979 HydrophobicContact CE1-CB 4.43Å; Y813-K979 HydrophobicContact CE1-CD 4.42Å; Y813-K979 WeakPolarHBondContact OH-CD 3.45Å; Y813-T985 HydrophobicContact CD1-CG2 3.88Å; Y813-T985 HydrophobicContact CD2-CG2 4.44Å; Y813-T985 HydrophobicContact CE1-CG2 3.48Å; Y813-T985 VanDerWaalsContact CE1-CG2 3.48Å; Y813-T985 HydrophobicContact CE2-CG2 4.06Å; Y813-T985 HydrophobicContact CG-CG2 4.36Å
814	S	94.9	Very high	95.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-105.5	-13.4	-177.8	62.8	0	0	0	0	114.8	L810 I811 Q812 M816 C817 L818 L885 L886	L810-S814 VanDerWaalsContact O-CB 3.25Å; L810-S814 WeakPolarHBondContact O-CB 3.36Å; L810-S814 PolarHBondContact O-N 3.48Å; L810-S814 PolarHBondContact O-OG 3.17Å; I811-S814 PolarHBondContact O-N 3.2Å; I811-S814 PolarHBondContact O-OG 3.37Å; Q812-S814 VanDerWaalsContact C-N 3.32Å; Q812-S814 PolarHBondContact O-N 3.39Å; S814-M816 PolarHBondContact O-N 3.3Å; S814-C817 WeakPolarHBondContact O-CA 3.48Å; S814-C817 VanDerWaalsContact O-CB 3.3Å; S814-C817 WeakPolarHBondContact O-CB 3.18Å; S814-C817 PolarHBondContact O-N 3.16Å; S814-L818 PolarHBondContact O-N 2.97Å; S814-L818 WeakPolarHBondContact OG-CD1 3.33Å; S814-L885 WeakPolarHBondContact CB-O 3.44Å; S814-L886 WeakPolarHBondContact OG-CD1 3.26Å
815	W	94.5	Very high	95.6	Very high	7 Å²	7	11.3 Å²	11.3	3%	0.027	6%	0.058	C	C	.	.	H	α-helix	trans	-51.1	-48.2	-169.8	78.9	-66	0	0	0	115.1	A782 M786 M789 I811 C817 L818 S819 L948 L969 I973	A782-W815 HydrophobicContact CB-CZ3 4.36Å; M786-W815 HydrophobicContact CE-CB 3.43Å; M786-W815 VanDerWaalsContact CE-CB 3.43Å; M786-W815 HydrophobicContact CE-CD2 3.64Å; M786-W815 HydrophobicContact CE-CE3 3.57Å; M786-W815 HydrophobicContact CE-CG 3.64Å; M786-W815 HydrophobicContact SD-CB 3.89Å; M789-W815 HydrophobicContact SD-CB 4.24Å; I811-W815 PolarHBondContact O-N 3.47Å; I811-W815 VanDerWaalsContact O-N 3.1Å; W815-C817 VanDerWaalsContact C-N 3.3Å; W815-C817 PolarHBondContact O-N 3.22Å; W815-L818 PolarHBondContact O-N 2.64Å; W815-S819 VanDerWaalsContact O-CB 3.29Å; W815-S819 WeakPolarHBondContact O-CB 3.44Å; W815-S819 PolarHBondContact O-N 3.35Å; W815-S819 PolarHBondContact O-OG 3.48Å; W815-L948 HydrophobicContact CZ2-CD2 4.29Å; W815-L969 HydrophobicContact CE3-CD2 4.16Å; W815-L969 HydrophobicContact CH2-CD2 4.3Å; W815-L969 HydrophobicContact CZ3-CD1 4.48Å; W815-L969 HydrophobicContact CZ3-CD2 3.81Å; W815-I973 HydrophobicContact CH2-CD1 4.46Å; W815-I973 HydrophobicContact CZ2-CD1 4.47Å; W815-I973 HydrophobicContact CZ2-CG1 4.17Å
816	M	95	Very high	95.8	Very high	23 Å²	23	9.9 Å²	9.9	11%	0.113	5%	0.049	C	C	.	.	H	α-helix	trans	-67.5	-35.6	-178.1	-175.9	63.9	81.7	0	0	110.7	S814 S820 V944 L947 L948 C951	S814-M816 PolarHBondContact O-N 3.3Å; M816-S820 VanDerWaalsContact O-CB 3.26Å; M816-S820 WeakPolarHBondContact O-CB 3.32Å; M816-S820 PolarHBondContact O-N 2.74Å; M816-S820 PolarHBondContact O-OG 2.8Å; M816-V944 HydrophobicContact CB-CG1 4.02Å; M816-V944 HydrophobicContact CG-CG1 4Å; M816-L947 HydrophobicContact CE-CB 4.34Å; M816-L947 HydrophobicContact CG-CB 3.85Å; M816-L947 HydrophobicContact CG-CD1 4.45Å; M816-L947 HydrophobicContact SD-CB 3.94Å; M816-L947 HydrophobicContact SD-CD1 4.41Å; M816-L948 HydrophobicContact CB-CD2 3.77Å; M816-L948 HydrophobicContact CB-CG 4.11Å; M816-L948 HydrophobicContact CE-CD2 4.31Å; M816-L948 HydrophobicContact CG-CD2 4.14Å; M816-L948 HydrophobicContact CG-CG 4.14Å; M816-C951 HydrophobicContact CE-CB 3.83Å
817	C	95.9	Very high	95.9	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.014	5%	0.048	C	C	.	.	H	α-helix	trans	-67.5	-49	175.9	-159.5	0	0	0	0	111.5	S814 W815 S819 S820 F821 V944	S814-C817 WeakPolarHBondContact O-CA 3.48Å; S814-C817 VanDerWaalsContact O-CB 3.3Å; S814-C817 WeakPolarHBondContact O-CB 3.18Å; S814-C817 PolarHBondContact O-N 3.16Å; W815-C817 VanDerWaalsContact C-N 3.3Å; W815-C817 PolarHBondContact O-N 3.22Å; C817-S819 PolarHBondContact O-N 3.48Å; C817-S820 PolarHBondContact O-N 2.65Å; C817-F821 WeakPolarHBondContact O-CB 3.42Å; C817-F821 PolarHBondContact O-N 3.35Å; C817-V944 HydrophobicContact CB-CG1 4.17Å; C817-V944 HydrophobicContact CB-CG2 3.88Å
818	L	96.7	Very high	95.9	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-61.1	-43.5	175.7	-70.8	170.2	0	0	0	111.9	M789 W792 S814 W815 F821 C822 K882 L885 L886	M789-L818 HydrophobicContact CE-CB 3.63Å; M789-L818 HydrophobicContact CE-CD1 4.41Å; M789-L818 HydrophobicContact CG-CD1 4.01Å; M789-L818 HydrophobicContact SD-CB 3.84Å; M789-L818 HydrophobicContact SD-CD1 3.48Å; M789-L818 WeakPolarHBondContact SD-CD1 3.46Å; M789-L818 HydrophobicContact SD-CG 4.31Å; W792-L818 HydrophobicContact CH2-CD2 4.26Å; W792-L818 HydrophobicContact CZ3-CD1 4.28Å; W792-L818 HydrophobicContact CZ3-CD2 4.26Å; S814-L818 PolarHBondContact O-N 2.97Å; S814-L818 WeakPolarHBondContact OG-CD1 3.33Å; W815-L818 PolarHBondContact O-N 2.64Å; L818-F821 PolarHBondContact O-N 2.73Å; L818-C822 WeakPolarHBondContact O-CB 3.37Å; L818-C822 PolarHBondContact O-N 3.26Å; L818-C822 PolarHBondContact O-SG 2.78Å; L818-K882 HydrophobicContact CD2-CG 3.86Å; L818-K882 WeakPolarHBondContact CD2-O 3.42Å; L818-L885 HydrophobicContact CD2-CB 4.14Å; L818-L886 HydrophobicContact CD1-CB 4.13Å; L818-L886 HydrophobicContact CD1-CD1 4.18Å; L818-L886 HydrophobicContact CD2-CB 4.39Å
819	S	95.6	Very high	95.9	Very high	16 Å²	16	15.5 Å²	15.5	11%	0.112	7%	0.072	C	C	.	.	H	α-helix	trans	-63.4	-47.7	178.9	-56.3	0	0	0	0	111.4	M789 W815 C817 C822 L823	M789-S819 WeakPolarHBondContact CE-OG 3.35Å; W815-S819 VanDerWaalsContact O-CB 3.29Å; W815-S819 WeakPolarHBondContact O-CB 3.44Å; W815-S819 PolarHBondContact O-N 3.35Å; W815-S819 PolarHBondContact O-OG 3.48Å; C817-S819 PolarHBondContact O-N 3.48Å; S819-C822 PolarHBondContact O-N 3.44Å; S819-L823 WeakPolarHBondContact O-CB 3.24Å; S819-L823 PolarHBondContact O-N 2.68Å
820	S	96.6	Very high	95.8	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.028	9%	0.088	C	C	.	.	H	α-helix	trans	-66.7	-36.6	179	-56.1	0	0	0	0	112.7	M816 C817 S824 L947	M816-S820 VanDerWaalsContact O-CB 3.26Å; M816-S820 WeakPolarHBondContact O-CB 3.32Å; M816-S820 PolarHBondContact O-N 2.74Å; M816-S820 PolarHBondContact O-OG 2.8Å; C817-S820 PolarHBondContact O-N 2.65Å; S820-S824 WeakPolarHBondContact O-CB 3.48Å; S820-S824 PolarHBondContact O-N 3.44Å; S820-S824 PolarHBondContact O-OG 2.95Å; S820-L947 VanDerWaalsContact OG-CD1 3.26Å; S820-L947 WeakPolarHBondContact OG-CD1 3.41Å
821	F	97.9	Very high	95.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-69.2	-40.5	176.2	-166	-107.9	0	0	0	111.7	C817 L818 S824 W825 F868 F878 M881 K882 L885 M940	C817-F821 WeakPolarHBondContact O-CB 3.42Å; C817-F821 PolarHBondContact O-N 3.35Å; L818-F821 PolarHBondContact O-N 2.73Å; F821-S824 PolarHBondContact O-N 3.47Å; F821-W825 PolarHBondContact O-N 2.86Å; F821-F868 HydrophobicContact CD2-CE1 4.24Å; F821-F868 AromaticContact CD2-CZ 3.66Å; F821-F868 HydrophobicContact CD2-CZ 3.66Å; F821-F868 AromaticContact CE2-CE1 3.78Å; F821-F868 HydrophobicContact CE2-CE1 3.78Å; F821-F868 HydrophobicContact CE2-CE2 4.5Å; F821-F868 AromaticContact CE2-CZ 3.41Å; F821-F868 HydrophobicContact CE2-CZ 3.41Å; F821-F868 VanDerWaalsContact CE2-CZ 3.41Å; F821-F868 HydrophobicContact CG-CZ 4.33Å; F821-F868 HydrophobicContact CZ-CE1 4.47Å; F821-F868 AromaticContact CZ-CZ 3.91Å; F821-F868 HydrophobicContact CZ-CZ 3.91Å; F821-F878 AromaticContact CD1-CD2 3.87Å; F821-F878 HydrophobicContact CD1-CD2 3.87Å; F821-F878 AromaticContact CD1-CE2 3.44Å; F821-F878 HydrophobicContact CD1-CE2 3.44Å; F821-F878 VanDerWaalsContact CD1-CE2 3.44Å; F821-F878 HydrophobicContact CD1-CZ 4.39Å; F821-F878 AromaticContact CE1-CD2 3.27Å; F821-F878 HydrophobicContact CE1-CD2 3.27Å; F821-F878 AromaticContact CE1-CE2 3.38Å; F821-F878 HydrophobicContact CE1-CE2 3.38Å; F821-F878 HydrophobicContact CE1-CG 4.29Å; F821-F878 HydrophobicContact CE1-CZ 4.46Å; F821-F878 HydrophobicContact CG-CE2 4.44Å; F821-F878 AromaticContact CZ-CD2 3.91Å; F821-F878 HydrophobicContact CZ-CD2 3.91Å; F821-F878 HydrophobicContact CZ-CE2 4.33Å; F821-M881 HydrophobicContact CE1-CB 3.9Å; F821-M881 HydrophobicContact CE2-CE 3.98Å; F821-M881 HydrophobicContact CZ-CB 3.54Å; F821-M881 HydrophobicContact CZ-CE 3.88Å; F821-M881 HydrophobicContact CZ-CG 4.5Å; F821-M881 HydrophobicContact CZ-SD 4.33Å; F821-K882 HydrophobicContact CD1-CB 4.13Å; F821-K882 HydrophobicContact CE1-CB 4.09Å; F821-L885 HydrophobicContact CB-CD1 3.69Å; F821-L885 HydrophobicContact CD1-CD1 3.91Å; F821-L885 HydrophobicContact CD2-CD1 3.58Å; F821-L885 HydrophobicContact CE1-CD1 4.45Å; F821-L885 HydrophobicContact CE2-CD1 4.17Å; F821-L885 HydrophobicContact CG-CD1 3.46Å; F821-L885 VanDerWaalsContact CG-CD1 3.46Å; F821-M940 HydrophobicContact CB-CE 4.06Å; F821-M940 HydrophobicContact CD2-CE 4.37Å; F821-M940 HydrophobicContact CD2-CG 4.18Å; F821-M940 HydrophobicContact CD2-SD 4.1Å
822	C	97.5	Very high	95.4	Very high	19 Å²	19	24.9 Å²	24.9	13%	0.128	12%	0.119	C	C	.	.	H	α-helix	trans	-71.1	-37.6	175.5	-63.8	0	0	0	0	112.5	L818 S819 S824 W825 R826 K882	L818-C822 WeakPolarHBondContact O-CB 3.37Å; L818-C822 PolarHBondContact O-N 3.26Å; L818-C822 PolarHBondContact O-SG 2.78Å; S819-C822 PolarHBondContact O-N 3.44Å; C822-S824 VanDerWaalsContact C-N 3.31Å; C822-S824 PolarHBondContact O-N 3.02Å; C822-W825 PolarHBondContact O-N 2.79Å; C822-R826 PolarHBondContact O-N 2.93Å; C822-K882 VanDerWaalsContact SG-CE 3.58Å
823	L	97.4	Very high	95.3	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-55.5	-47.3	167.5	164.5	65.6	0	0	0	110.8	S819 W825 R826 S827 L836 Y837 F838 M861	S819-L823 WeakPolarHBondContact O-CB 3.24Å; S819-L823 PolarHBondContact O-N 2.68Å; L823-W825 VanDerWaalsContact C-N 3.28Å; L823-W825 PolarHBondContact O-N 3.48Å; L823-R826 PolarHBondContact O-N 3.22Å; L823-S827 VanDerWaalsContact O-CB 3.27Å; L823-S827 WeakPolarHBondContact O-CB 3.32Å; L823-S827 PolarHBondContact O-N 3.05Å; L823-S827 PolarHBondContact O-OG 3.28Å; L823-L836 HydrophobicContact CD1-CB 4.36Å; L823-L836 HydrophobicContact CD1-CD2 4.32Å; L823-L836 HydrophobicContact CD2-CD2 4.31Å; L823-L836 HydrophobicContact CG-CD2 4.31Å; L823-Y837 WeakPolarHBondContact CD1-O 3.44Å; L823-F838 HydrophobicContact CD1-CB 4.38Å; L823-F838 HydrophobicContact CD1-CD1 3.8Å; L823-F838 HydrophobicContact CD1-CD2 4.15Å; L823-F838 HydrophobicContact CD1-CE1 4.12Å; L823-F838 HydrophobicContact CD1-CE2 4.43Å; L823-F838 HydrophobicContact CD1-CG 3.83Å; L823-F838 HydrophobicContact CD1-CZ 4.42Å; L823-F838 HydrophobicContact CD2-CD1 3.98Å; L823-F838 HydrophobicContact CD2-CE1 3.51Å; L823-F838 HydrophobicContact CD2-CZ 3.86Å; L823-F838 HydrophobicContact CG-CD1 4.47Å; L823-F838 HydrophobicContact CG-CE1 4.44Å; L823-M861 HydrophobicContact CD2-CB 4.1Å; L823-M861 HydrophobicContact CD2-CE 4.36Å; L823-M861 HydrophobicContact CD2-CG 4.21Å; L823-M861 HydrophobicContact CD2-SD 3.42Å; L823-M861 WeakPolarHBondContact CD2-SD 3.43Å
824	S	97.9	Very high	95	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-33.9	-179.7	-58	0	0	0	0	112.1	S820 F821 C822 Y828 V864 S865	S820-S824 WeakPolarHBondContact O-CB 3.48Å; S820-S824 PolarHBondContact O-N 3.44Å; S820-S824 PolarHBondContact O-OG 2.95Å; F821-S824 PolarHBondContact O-N 3.47Å; C822-S824 VanDerWaalsContact C-N 3.31Å; C822-S824 PolarHBondContact O-N 3.02Å; S824-Y828 VanDerWaalsContact O-CB 3.26Å; S824-Y828 WeakPolarHBondContact O-CB 3.41Å; S824-Y828 PolarHBondContact O-N 3.21Å; S824-V864 WeakPolarHBondContact OG-CG1 3.46Å; S824-S865 WeakPolarHBondContact CA-OG 2.94Å
825	W	97.7	Very high	95	Very high	27 Å²	27	33 Å²	33	10%	0.102	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-47.4	174.5	-176.8	-109.7	0	0	0	112.9	F821 C822 L823 S827 Y828 K829 F868 L873 Y875 F878	F821-W825 PolarHBondContact O-N 2.86Å; C822-W825 PolarHBondContact O-N 2.79Å; L823-W825 VanDerWaalsContact C-N 3.28Å; L823-W825 PolarHBondContact O-N 3.48Å; W825-S827 VanDerWaalsContact C-N 3.33Å; W825-S827 PolarHBondContact O-N 2.86Å; W825-Y828 HydrophobicContact CD2-CD1 4.49Å; W825-Y828 AromaticContact CE3-CD1 3.72Å; W825-Y828 HydrophobicContact CE3-CD1 3.72Å; W825-Y828 HydrophobicContact CE3-CE1 4.22Å; W825-Y828 HydrophobicContact CH2-CD1 4.47Å; W825-Y828 HydrophobicContact CH2-CE1 4.23Å; W825-Y828 AromaticContact CZ3-CD1 3.71Å; W825-Y828 HydrophobicContact CZ3-CD1 3.71Å; W825-Y828 AromaticContact CZ3-CE1 3.7Å; W825-Y828 HydrophobicContact CZ3-CE1 3.7Å; W825-Y828 WeakPolarHBondContact O-CB 3.37Å; W825-Y828 PolarHBondContact O-N 3.18Å; W825-K829 HydrophobicContact CD2-CG 4.38Å; W825-K829 HydrophobicContact CZ2-CD 4.34Å; W825-K829 HydrophobicContact CZ2-CG 4.35Å; W825-K829 WeakPolarHBondContact O-CG 3.35Å; W825-K829 PolarHBondContact O-N 3.44Å; W825-F868 HydrophobicContact CB-CE2 4Å; W825-F868 AromaticContact CE3-CD2 3.96Å; W825-F868 HydrophobicContact CE3-CD2 3.96Å; W825-F868 HydrophobicContact CE3-CE2 4.14Å; W825-L873 HydrophobicContact CE3-CD2 4.11Å; W825-L873 HydrophobicContact CZ3-CB 4.2Å; W825-L873 HydrophobicContact CZ3-CD2 3.99Å; W825-L873 HydrophobicContact CZ3-CG 3.94Å; W825-L873 WeakPolarHBondContact CZ3-O 3.41Å; W825-Y875 AromaticContact CE2-CD2 3.88Å; W825-Y875 HydrophobicContact CH2-CD2 4.13Å; W825-Y875 AromaticContact CZ2-CD2 3.33Å; W825-Y875 HydrophobicContact CZ2-CD2 3.33Å; W825-Y875 HydrophobicContact CZ2-CE2 4.12Å; W825-Y875 AromaticContact CZ2-CG 4Å; W825-Y875 HydrophobicContact CZ2-CG 4Å; W825-F878 HydrophobicContact CB-CD2 3.82Å; W825-F878 HydrophobicContact CB-CE1 4.46Å; W825-F878 HydrophobicContact CB-CE2 3.36Å; W825-F878 HydrophobicContact CB-CZ 3.72Å; W825-F878 AromaticContact CD1-CE1 3.83Å; W825-F878 AromaticContact CD1-CZ 3.86Å; W825-F878 HydrophobicContact CD2-CB 4.14Å; W825-F878 AromaticContact CD2-CD1 3.87Å; W825-F878 HydrophobicContact CD2-CD1 3.87Å; W825-F878 AromaticContact CD2-CD2 3.65Å; W825-F878 HydrophobicContact CD2-CD2 3.65Å; W825-F878 HydrophobicContact CD2-CE1 4.2Å; W825-F878 HydrophobicContact CD2-CE2 4.02Å; W825-F878 AromaticContact CD2-CG 3.58Å; W825-F878 HydrophobicContact CD2-CG 3.58Å; W825-F878 HydrophobicContact CD2-CZ 4.27Å; W825-F878 AromaticContact CE2-CD1 3.86Å; W825-F878 AromaticContact CE2-CG 3.96Å; W825-F878 HydrophobicContact CE3-CB 3.72Å; W825-F878 HydrophobicContact CE3-CD1 4.33Å; W825-F878 AromaticContact CE3-CD2 3.6Å; W825-F878 HydrophobicContact CE3-CD2 3.6Å; W825-F878 HydrophobicContact CE3-CE2 4.36Å; W825-F878 AromaticContact CE3-CG 3.59Å; W825-F878 HydrophobicContact CE3-CG 3.59Å; W825-F878 HydrophobicContact CG-CD1 4.1Å; W825-F878 AromaticContact CG-CD2 3.76Å; W825-F878 HydrophobicContact CG-CD2 3.76Å; W825-F878 AromaticContact CG-CE1 3.93Å; W825-F878 HydrophobicContact CG-CE1 3.93Å; W825-F878 AromaticContact CG-CE2 3.6Å; W825-F878 HydrophobicContact CG-CE2 3.6Å; W825-F878 HydrophobicContact CG-CG 4.02Å; W825-F878 AromaticContact CG-CZ 3.68Å; W825-F878 HydrophobicContact CG-CZ 3.68Å; W825-F878 HydrophobicContact CH2-CB 3.9Å; W825-F878 HydrophobicContact CH2-CG 4.34Å; W825-F878 HydrophobicContact CZ2-CB 4.3Å; W825-F878 HydrophobicContact CZ2-CD1 4.31Å; W825-F878 HydrophobicContact CZ2-CG 4.33Å; W825-F878 HydrophobicContact CZ3-CB 3.6Å; W825-F878 HydrophobicContact CZ3-CD2 4.38Å; W825-F878 HydrophobicContact CZ3-CG 4Å
826	R	96.4	Very high	95.1	Very high	32 Å²	32	32.7 Å²	32.7	12%	0.121	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-43.4	174.2	-67.9	-173.3	-60.8	-89.2	6.4	111.3	E758 C822 L823 Y828 K829 H830 Y837 F838	E758-R826 WeakPolarHBondContact OE1-CD 3.5Å; C822-R826 PolarHBondContact O-N 2.93Å; L823-R826 PolarHBondContact O-N 3.22Å; R826-Y828 VanDerWaalsContact C-N 3.33Å; R826-Y828 PolarHBondContact O-N 3.26Å; R826-K829 PolarHBondContact O-N 2.65Å; R826-K829 VanDerWaalsContact O-N 3.14Å; R826-H830 PolarHBondContact O-CD2 3.45Å; R826-H830 VanDerWaalsContact O-CD2 3.26Å; R826-H830 PolarHBondContact O-N 2.91Å; R826-Y837 HydrophobicContact CB-CD1 3.77Å; R826-Y837 HydrophobicContact CB-CG 4.31Å; R826-Y837 HydrophobicContact CG-CD1 4.45Å; R826-Y837 PolarHBondContact NE-O 2.71Å; R826-Y837 VanDerWaalsContact NE-O 3.11Å; R826-F838 PolarHBondContact NE-O 3.06Å; R826-F838 PolarHBondContact NH2-O 3.07Å
827	S	97.3	Very high	95.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-41.4	177.2	-56.4	0	0	0	0	111.9	L823 W825 T831 N832 G833 M835 Y837 S865	L823-S827 VanDerWaalsContact O-CB 3.27Å; L823-S827 WeakPolarHBondContact O-CB 3.32Å; L823-S827 PolarHBondContact O-N 3.05Å; L823-S827 PolarHBondContact O-OG 3.28Å; W825-S827 VanDerWaalsContact C-N 3.33Å; W825-S827 PolarHBondContact O-N 2.86Å; S827-T831 CarbonylContact O-C 3.55Å; S827-T831 WeakPolarHBondContact O-CA 3.27Å; S827-T831 PolarHBondContact O-N 2.84Å; S827-T831 VanDerWaalsContact O-N 3.14Å; S827-T831 PolarHBondContact O-OG1 3.01Å; S827-N832 PolarHBondContact O-N 3.14Å; S827-G833 PolarHBondContact O-N 3.18Å; S827-M835 WeakPolarHBondContact CB-O 3.22Å; S827-Y837 PolarHBondContact OG-N 3.21Å; S827-S865 WeakPolarHBondContact CB-OG 3.26Å
828	Y	97.1	Very high	95.1	Very high	37 Å²	37	33.8 Å²	33.8	15%	0.145	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-48.4	170.4	167.7	-132.2	0	0	0	112.4	S824 W825 R826 N832 F868 V869	S824-Y828 VanDerWaalsContact O-CB 3.26Å; S824-Y828 WeakPolarHBondContact O-CB 3.41Å; S824-Y828 PolarHBondContact O-N 3.21Å; W825-Y828 HydrophobicContact CD2-CD1 4.49Å; W825-Y828 AromaticContact CE3-CD1 3.72Å; W825-Y828 HydrophobicContact CE3-CD1 3.72Å; W825-Y828 HydrophobicContact CE3-CE1 4.22Å; W825-Y828 HydrophobicContact CH2-CD1 4.47Å; W825-Y828 HydrophobicContact CH2-CE1 4.23Å; W825-Y828 AromaticContact CZ3-CD1 3.71Å; W825-Y828 HydrophobicContact CZ3-CD1 3.71Å; W825-Y828 AromaticContact CZ3-CE1 3.7Å; W825-Y828 HydrophobicContact CZ3-CE1 3.7Å; W825-Y828 WeakPolarHBondContact O-CB 3.37Å; W825-Y828 PolarHBondContact O-N 3.18Å; R826-Y828 VanDerWaalsContact C-N 3.33Å; R826-Y828 PolarHBondContact O-N 3.26Å; Y828-N832 VanDerWaalsContact O-CA 3.28Å; Y828-N832 WeakPolarHBondContact O-CA 3.26Å; Y828-N832 PolarHBondContact O-N 3.3Å; Y828-F868 HydrophobicContact CD1-CB 3.92Å; Y828-F868 HydrophobicContact CD1-CD2 4.14Å; Y828-F868 HydrophobicContact CD2-CB 4.19Å; Y828-F868 HydrophobicContact CE1-CB 4.48Å; Y828-F868 HydrophobicContact CG-CB 3.76Å; Y828-F868 HydrophobicContact CG-CD2 4.33Å; Y828-V869 HydrophobicContact CD2-CB 4.42Å; Y828-V869 HydrophobicContact CD2-CG2 3.6Å; Y828-V869 HydrophobicContact CE2-CB 4.44Å; Y828-V869 HydrophobicContact CE2-CG2 4.02Å
829	K	94.1	Very high	94.9	Very high	105 Å²	105	33.8 Å²	33.8	46%	0.457	16%	0.161	S	C	.	.	H	α-helix	trans	-72.8	-44.9	-175.1	-70.3	-59.1	-176.6	-169.9	0	114.8	W825 R826	W825-K829 HydrophobicContact CD2-CG 4.38Å; W825-K829 HydrophobicContact CZ2-CD 4.34Å; W825-K829 HydrophobicContact CZ2-CG 4.35Å; W825-K829 WeakPolarHBondContact O-CG 3.35Å; W825-K829 PolarHBondContact O-N 3.44Å; R826-K829 PolarHBondContact O-N 2.65Å; R826-K829 VanDerWaalsContact O-N 3.14Å
830	H	91.1	Very high	94.5	Very high	103 Å²	103	34.7 Å²	34.7	48%	0.477	17%	0.167	S	C	.	.	H	α-helix	trans	-94.2	-20.2	-172.8	-61	-80.1	0	0	0	113.6	R826 Y837	R826-H830 PolarHBondContact O-CD2 3.45Å; R826-H830 VanDerWaalsContact O-CD2 3.26Å; R826-H830 PolarHBondContact O-N 2.91Å; H830-Y837 HydrophobicContact CB-CD2 3.57Å; H830-Y837 HydrophobicContact CB-CE2 3.59Å; H830-Y837 HydrophobicContact CB-CG 4.06Å; H830-Y837 AromaticContact CD2-CE1 3.9Å; H830-Y837 AromaticContact CG-CE2 3.9Å; H830-Y837 AromaticContact CG-CZ 3.85Å
831	T	91.3	Very high	94.1	Very high	28 Å²	28	36.2 Å²	36.2	17%	0.172	18%	0.175	C	C	.	.	H	α-helix	trans	-134.3	9.9	-174	80	0	0	0	0	113.8	S827 G833 Q834 M835 Y837	S827-T831 CarbonylContact O-C 3.55Å; S827-T831 WeakPolarHBondContact O-CA 3.27Å; S827-T831 PolarHBondContact O-N 2.84Å; S827-T831 VanDerWaalsContact O-N 3.14Å; S827-T831 PolarHBondContact O-OG1 3.01Å; T831-G833 PolarHBondContact O-N 2.86Å; T831-G833 VanDerWaalsContact O-N 3.13Å; T831-Q834 WeakPolarHBondContact O-CB 3.34Å; T831-Q834 PolarHBondContact O-N 2.94Å; T831-M835 HydrophobicContact CG2-CB 4.11Å; T831-M835 PolarHBondContact OG1-N 2.8Å; T831-M835 PolarHBondContact OG1-O 3.24Å; T831-Y837 HydrophobicContact CG2-CD2 3.98Å
832	N	90.6	Very high	93.8	Very high	92 Å²	92	36.2 Å²	36.2	49%	0.492	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	36.3	-176.9	-164.1	32.1	0	0	0	113.3	S827 Y828 Q834 V869	S827-N832 PolarHBondContact O-N 3.14Å; Y828-N832 VanDerWaalsContact O-CA 3.28Å; Y828-N832 WeakPolarHBondContact O-CA 3.26Å; Y828-N832 PolarHBondContact O-N 3.3Å; N832-Q834 PolarHBondContact O-N 3.47Å; N832-V869 WeakPolarHBondContact O-CG2 3.46Å; N832-V869 WeakPolarHBondContact OD1-CG2 3.27Å
833	G	91.5	Very high	93.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	11.3	-178	0	0	0	0	0	115.6	S827 T831 Q866	S827-G833 PolarHBondContact O-N 3.18Å; T831-G833 PolarHBondContact O-N 2.86Å; T831-G833 VanDerWaalsContact O-N 3.13Å; G833-Q866 VanDerWaalsContact O-CG 3.31Å; G833-Q866 WeakPolarHBondContact O-CG 3.42Å; G833-Q866 PolarHBondContact O-NE2 3.1Å
834	Q	88.8	Confident	93.4	Very high	126 Å²	126	38.4 Å²	38.4	59%	0.589	18%	0.184	S	C	*	.	S	Bend	trans	-82.6	-34.2	179.9	-61.9	-174	-1.9	0	0	112.9	T831 N832 R862	T831-Q834 WeakPolarHBondContact O-CB 3.34Å; T831-Q834 PolarHBondContact O-N 2.94Å; N832-Q834 PolarHBondContact O-N 3.47Å; Q834-R862 PolarHBondContact O-NE 2.68Å; Q834-R862 PolarHBondContact O-NH1 2.75Å; Q834-R862 PolarHBondContact O-NH2 3.14Å
835	M	93.3	Very high	93.1	Very high	66 Å²	66	41.3 Å²	41.3	33%	0.325	20%	0.2	S	C	.	.	S	Bend	trans	-122.5	176	178.3	-54.5	-57.5	-162.3	0	0	110.3	S827 T831 I843 N845	S827-M835 WeakPolarHBondContact CB-O 3.22Å; T831-M835 HydrophobicContact CG2-CB 4.11Å; T831-M835 PolarHBondContact OG1-N 2.8Å; T831-M835 PolarHBondContact OG1-O 3.24Å; M835-I843 HydrophobicContact CB-CG2 4.29Å; M835-N845 HydrophobicContact CE-CB 3.95Å; M835-N845 VanDerWaalsContact SD-CA 3.6Å; M835-N845 HydrophobicContact SD-CB 4.05Å
836	L	96.9	Very high	92.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.2	173.7	-74.5	-179.6	0	0	0	111.1	L823 F838 I843 F844 M849 C858 M861 R862	L823-L836 HydrophobicContact CD1-CB 4.36Å; L823-L836 HydrophobicContact CD1-CD2 4.32Å; L823-L836 HydrophobicContact CD2-CD2 4.31Å; L823-L836 HydrophobicContact CG-CD2 4.31Å; L836-F838 HydrophobicContact CB-CD2 4.09Å; L836-F838 HydrophobicContact CB-CE2 3.75Å; L836-F838 HydrophobicContact CD1-CE2 3.91Å; L836-F838 HydrophobicContact CD1-CZ 4.12Å; L836-F838 HydrophobicContact CG-CE2 4.48Å; L836-F838 PolarHBondContact O-N 2.83Å; L836-I843 WeakPolarHBondContact O-CA 3.44Å; L836-F844 HydrophobicContact CB-CB 3.91Å; L836-F844 PolarHBondContact N-O 3.28Å; L836-F844 VanDerWaalsContact N-O 3.09Å; L836-F844 PolarHBondContact O-N 3.26Å; L836-M849 HydrophobicContact CD1-SD 4.01Å; L836-M849 HydrophobicContact CG-SD 4.33Å; L836-C858 HydrophobicContact CD1-CB 3.66Å; L836-M861 HydrophobicContact CD1-CB 4.23Å; L836-M861 HydrophobicContact CD1-CE 4.3Å; L836-M861 HydrophobicContact CD2-CB 3.91Å; L836-R862 HydrophobicContact CD2-CB 4.26Å; L836-R862 HydrophobicContact CG-CB 4.47Å
837	Y	95.4	Very high	92.6	Very high	29 Å²	29	48.3 Å²	48.3	11%	0.114	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	78.8	-177.8	-160.9	-83.4	0	0	0	110.4	L823 R826 S827 H830 T831 P840 I843	L823-Y837 WeakPolarHBondContact CD1-O 3.44Å; R826-Y837 HydrophobicContact CB-CD1 3.77Å; R826-Y837 HydrophobicContact CB-CG 4.31Å; R826-Y837 HydrophobicContact CG-CD1 4.45Å; R826-Y837 PolarHBondContact NE-O 2.71Å; R826-Y837 VanDerWaalsContact NE-O 3.11Å; S827-Y837 PolarHBondContact OG-N 3.21Å; H830-Y837 HydrophobicContact CB-CD2 3.57Å; H830-Y837 HydrophobicContact CB-CE2 3.59Å; H830-Y837 HydrophobicContact CB-CG 4.06Å; H830-Y837 AromaticContact CD2-CE1 3.9Å; H830-Y837 AromaticContact CG-CE2 3.9Å; H830-Y837 AromaticContact CG-CZ 3.85Å; T831-Y837 HydrophobicContact CG2-CD2 3.98Å; Y837-P840 HydrophobicContact CE1-CB 4.49Å; Y837-P840 HydrophobicContact CE1-CG 4.15Å; Y837-P840 WeakPolarHBondContact OH-CA 3.48Å; Y837-I843 HydrophobicContact CD2-CD1 3.66Å; Y837-I843 HydrophobicContact CD2-CG1 3.77Å; Y837-I843 HydrophobicContact CE2-CD1 3.49Å; Y837-I843 VanDerWaalsContact CE2-CD1 3.49Å; Y837-I843 HydrophobicContact CE2-CG1 3.97Å; Y837-I843 HydrophobicContact CG-CG1 4.43Å
838	F	94.9	Very high	92.3	Very high	20 Å²	20	49.5 Å²	49.5	9%	0.088	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-48.4	-179.3	-75.2	-87.3	0	0	0	111.2	L778 L781 Q785 L823 R826 L836 L842 F844 M861	L778-F838 HydrophobicContact CD2-CB 4.18Å; L778-F838 HydrophobicContact CD2-CD1 3.41Å; L778-F838 VanDerWaalsContact CD2-CD1 3.41Å; L778-F838 HydrophobicContact CD2-CD2 4.06Å; L778-F838 HydrophobicContact CD2-CE1 3.64Å; L778-F838 HydrophobicContact CD2-CE2 4.25Å; L778-F838 HydrophobicContact CD2-CG 3.63Å; L778-F838 HydrophobicContact CD2-CZ 4.06Å; L781-F838 HydrophobicContact CD2-CB 3.79Å; Q785-F838 PolarHBondContact NE2-O 2.66Å; L823-F838 HydrophobicContact CD1-CB 4.38Å; L823-F838 HydrophobicContact CD1-CD1 3.8Å; L823-F838 HydrophobicContact CD1-CD2 4.15Å; L823-F838 HydrophobicContact CD1-CE1 4.12Å; L823-F838 HydrophobicContact CD1-CE2 4.43Å; L823-F838 HydrophobicContact CD1-CG 3.83Å; L823-F838 HydrophobicContact CD1-CZ 4.42Å; L823-F838 HydrophobicContact CD2-CD1 3.98Å; L823-F838 HydrophobicContact CD2-CE1 3.51Å; L823-F838 HydrophobicContact CD2-CZ 3.86Å; L823-F838 HydrophobicContact CG-CD1 4.47Å; L823-F838 HydrophobicContact CG-CE1 4.44Å; R826-F838 PolarHBondContact NE-O 3.06Å; R826-F838 PolarHBondContact NH2-O 3.07Å; L836-F838 HydrophobicContact CB-CD2 4.09Å; L836-F838 HydrophobicContact CB-CE2 3.75Å; L836-F838 HydrophobicContact CD1-CE2 3.91Å; L836-F838 HydrophobicContact CD1-CZ 4.12Å; L836-F838 HydrophobicContact CG-CE2 4.48Å; L836-F838 PolarHBondContact O-N 2.83Å; F838-L842 HydrophobicContact CB-CG 4.39Å; F838-L842 WeakPolarHBondContact CB-O 3.44Å; F838-L842 PolarHBondContact N-O 3.23Å; F838-F844 HydrophobicContact CD2-CB 4.15Å; F838-F844 AromaticContact CD2-CD1 3.74Å; F838-F844 HydrophobicContact CD2-CD1 3.74Å; F838-F844 HydrophobicContact CD2-CE1 4.25Å; F838-F844 AromaticContact CD2-CG 3.94Å; F838-F844 HydrophobicContact CD2-CG 3.94Å; F838-F844 HydrophobicContact CE2-CB 3.93Å; F838-F844 AromaticContact CE2-CD1 3.88Å; F838-F844 HydrophobicContact CE2-CD1 3.88Å; F838-F844 AromaticContact CE2-CD2 3.92Å; F838-F844 HydrophobicContact CE2-CD2 3.92Å; F838-F844 HydrophobicContact CE2-CE1 4.32Å; F838-F844 HydrophobicContact CE2-CE2 4.36Å; F838-F844 AromaticContact CE2-CG 3.67Å; F838-F844 HydrophobicContact CE2-CG 3.67Å; F838-M861 HydrophobicContact CE1-CE 4.5Å; F838-M861 HydrophobicContact CZ-CE 3.99Å
839	A	92.9	Very high	92.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	166.1	173.1	0	0	0	0	0	109.9	V759 L781 D841 L842	V759-A839 VanDerWaalsContact O-CB 3.23Å; V759-A839 WeakPolarHBondContact O-CB 3.43Å; L781-A839 HydrophobicContact CD1-CB 3.95Å; L781-A839 HydrophobicContact CD2-CB 3.88Å; A839-D841 WeakPolarHBondContact CB-OD1 3.36Å; A839-D841 PolarHBondContact O-N 2.7Å; A839-D841 VanDerWaalsContact O-N 3.13Å; A839-L842 HydrophobicContact CB-CB 4.3Å; A839-L842 PolarHBondContact N-O 3.06Å; A839-L842 VanDerWaalsContact N-O 3.1Å; A839-L842 CarbonylContact O-C 3.6Å; A839-L842 VanDerWaalsContact O-C 3.31Å; A839-L842 PolarHBondContact O-N 3.17Å; A839-L842 VanDerWaalsContact O-O 3.05Å
840	P	88.2	Confident	92.1	Very high	35 Å²	35	50.2 Å²	50.2	23%	0.227	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.7	178.5	-24.4	34.8	0	0	0	114.8	Y760 Y837	Y760-P840 HydrophobicContact CD1-CB 4.26Å; Y760-P840 HydrophobicContact CE1-CB 3.74Å; Y760-P840 HydrophobicContact CE1-CG 4.14Å; Y837-P840 HydrophobicContact CE1-CB 4.49Å; Y837-P840 HydrophobicContact CE1-CG 4.15Å; Y837-P840 WeakPolarHBondContact OH-CA 3.48Å
841	D	88	Confident	92	Very high	36 Å²	36	48.8 Å²	48.8	19%	0.193	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-2.4	175.9	60.3	-9.4	0	0	0	113.9	Y760 S761 G762 Y763 A839	Y760-D841 HydrophobicContact CD1-CB 4.18Å; S761-D841 WeakPolarHBondContact CB-OD1 3.33Å; S761-D841 PolarHBondContact N-OD1 3.16Å; S761-D841 PolarHBondContact N-OD2 3.04Å; S761-D841 VanDerWaalsContact N-OD2 3.11Å; S761-D841 PolarHBondContact OG-OD1 2.96Å; S761-D841 PolarHBondContact OG-OD2 3.44Å; S761-D841 VanDerWaalsContact OG-OD2 3.14Å; G762-D841 WeakPolarHBondContact CA-OD2 3.2Å; G762-D841 PolarHBondContact N-OD2 3.4Å; Y763-D841 PolarHBondContact N-OD2 2.96Å; A839-D841 WeakPolarHBondContact CB-OD1 3.36Å; A839-D841 PolarHBondContact O-N 2.7Å; A839-D841 VanDerWaalsContact O-N 3.13Å
842	L	91.8	Very high	92	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	93.5	-177.1	-173	54.1	0	0	0	111	S761 Y763 L778 F838 A839 F844	S761-L842 WeakPolarHBondContact OG-CB 3.48Å; Y763-L842 HydrophobicContact CD1-CD1 4.08Å; Y763-L842 HydrophobicContact CD2-CD1 3.77Å; Y763-L842 HydrophobicContact CD2-CD2 4.32Å; Y763-L842 HydrophobicContact CE1-CD1 4.44Å; Y763-L842 HydrophobicContact CE2-CD1 4.15Å; Y763-L842 HydrophobicContact CG-CD1 3.73Å; L778-L842 HydrophobicContact CD2-CD2 3.94Å; L778-L842 HydrophobicContact CG-CD2 4.47Å; F838-L842 HydrophobicContact CB-CG 4.39Å; F838-L842 WeakPolarHBondContact CB-O 3.44Å; F838-L842 PolarHBondContact N-O 3.23Å; A839-L842 HydrophobicContact CB-CB 4.3Å; A839-L842 PolarHBondContact N-O 3.06Å; A839-L842 VanDerWaalsContact N-O 3.1Å; A839-L842 CarbonylContact O-C 3.6Å; A839-L842 VanDerWaalsContact O-C 3.31Å; A839-L842 PolarHBondContact O-N 3.17Å; A839-L842 VanDerWaalsContact O-O 3.05Å; L842-F844 HydrophobicContact CD1-CD1 4.16Å; L842-F844 HydrophobicContact CD1-CE1 3.76Å; L842-F844 HydrophobicContact CG-CD1 4.38Å; L842-F844 HydrophobicContact CG-CE1 4.07Å
843	I	92.1	Very high	91.9	Very high	68 Å²	68	46.2 Å²	46.2	35%	0.349	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	125	179.5	-54.1	174.2	0	0	0	108.4	M835 L836 Y837 N845	M835-I843 HydrophobicContact CB-CG2 4.29Å; L836-I843 WeakPolarHBondContact O-CA 3.44Å; Y837-I843 HydrophobicContact CD2-CD1 3.66Å; Y837-I843 HydrophobicContact CD2-CG1 3.77Å; Y837-I843 HydrophobicContact CE2-CD1 3.49Å; Y837-I843 VanDerWaalsContact CE2-CD1 3.49Å; Y837-I843 HydrophobicContact CE2-CG1 3.97Å; Y837-I843 HydrophobicContact CG-CG1 4.43Å; I843-N845 PolarHBondContact O-N 2.81Å
844	F	94.5	Very high	92	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	100	179.1	-90.4	48.5	0	0	0	109.4	L774 L778 L836 F838 L842 R848 M849	L774-F844 HydrophobicContact CB-CZ 4.27Å; L774-F844 HydrophobicContact CD1-CZ 4.45Å; L774-F844 HydrophobicContact CD2-CE1 4Å; L774-F844 HydrophobicContact CD2-CZ 3.89Å; L774-F844 HydrophobicContact CG-CZ 4.44Å; L778-F844 HydrophobicContact CD1-CE1 4.48Å; L778-F844 HydrophobicContact CD1-CE2 4.3Å; L778-F844 HydrophobicContact CD1-CZ 3.77Å; L778-F844 HydrophobicContact CD2-CE1 4.34Å; L778-F844 HydrophobicContact CD2-CZ 4.41Å; L778-F844 HydrophobicContact CG-CZ 4.26Å; L836-F844 HydrophobicContact CB-CB 3.91Å; L836-F844 PolarHBondContact N-O 3.28Å; L836-F844 VanDerWaalsContact N-O 3.09Å; L836-F844 PolarHBondContact O-N 3.26Å; F838-F844 HydrophobicContact CD2-CB 4.15Å; F838-F844 AromaticContact CD2-CD1 3.74Å; F838-F844 HydrophobicContact CD2-CD1 3.74Å; F838-F844 HydrophobicContact CD2-CE1 4.25Å; F838-F844 AromaticContact CD2-CG 3.94Å; F838-F844 HydrophobicContact CD2-CG 3.94Å; F838-F844 HydrophobicContact CE2-CB 3.93Å; F838-F844 AromaticContact CE2-CD1 3.88Å; F838-F844 HydrophobicContact CE2-CD1 3.88Å; F838-F844 AromaticContact CE2-CD2 3.92Å; F838-F844 HydrophobicContact CE2-CD2 3.92Å; F838-F844 HydrophobicContact CE2-CE1 4.32Å; F838-F844 HydrophobicContact CE2-CE2 4.36Å; F838-F844 AromaticContact CE2-CG 3.67Å; F838-F844 HydrophobicContact CE2-CG 3.67Å; L842-F844 HydrophobicContact CD1-CD1 4.16Å; L842-F844 HydrophobicContact CD1-CE1 3.76Å; L842-F844 HydrophobicContact CG-CD1 4.38Å; L842-F844 HydrophobicContact CG-CE1 4.07Å; F844-R848 HydrophobicContact CD1-CG 3.96Å; F844-R848 HydrophobicContact CD2-CG 4.26Å; F844-R848 HydrophobicContact CE1-CG 4.04Å; F844-R848 HydrophobicContact CE2-CG 4.34Å; F844-R848 HydrophobicContact CG-CG 4.07Å; F844-R848 HydrophobicContact CZ-CG 4.23Å; F844-M849 HydrophobicContact CB-CG 3.99Å; F844-M849 HydrophobicContact CD2-CG 4.05Å
845	N	91.5	Very high	92.3	Very high	61 Å²	61	44.3 Å²	44.3	33%	0.326	22%	0.215	S	C	.	.			trans	-72.3	178.8	165.5	72	-0.4	0	0	0	110.5	M835 I843 E847 R848 M849	M835-N845 HydrophobicContact CE-CB 3.95Å; M835-N845 VanDerWaalsContact SD-CA 3.6Å; M835-N845 HydrophobicContact SD-CB 4.05Å; I843-N845 PolarHBondContact O-N 2.81Å; N845-E847 VanDerWaalsContact C-N 3.28Å; N845-E847 PolarHBondContact O-N 2.7Å; N845-E847 PolarHBondContact OD1-N 2.84Å; N845-R848 WeakPolarHBondContact OD1-CB 3.3Å; N845-R848 PolarHBondContact OD1-N 3.49Å; N845-M849 VanDerWaalsContact O-CG 3.3Å; N845-M849 WeakPolarHBondContact O-CG 3.44Å; N845-M849 PolarHBondContact O-N 3.37Å
846	E	91.4	Very high	92.4	Very high	86 Å²	86	45.6 Å²	45.6	40%	0.402	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-34.7	-179.5	-166	-179.1	140.7	0	0	113.3	R850	E846-R850 VanDerWaalsContact O-CG 3.29Å; E846-R850 WeakPolarHBondContact O-CG 3.33Å; E846-R850 PolarHBondContact O-N 3.22Å; E846-R850 VanDerWaalsContact O-N 3.09Å; E846-R850 IonicContact OE1-CZ 3.32Å; E846-R850 VanDerWaalsContact OE1-CZ 3.32Å; E846-R850 IonicContact OE1-NE 2.66Å; E846-R850 PolarHBondContact OE1-NE 3.44Å; E846-R850 VanDerWaalsContact OE1-NE 3.1Å; E846-R850 IonicContact OE1-NH2 2.69Å; E846-R850 PolarHBondContact OE1-NH2 3.44Å
847	E	91.4	Very high	92.3	Very high	120 Å²	120	46.8 Å²	46.8	56%	0.561	23%	0.23	S	C	*	.	H	α-helix	trans	-66.4	-52.1	178.2	-178.6	172.4	-163.4	0	0	112.2	N845 M849 R850 Q851	N845-E847 VanDerWaalsContact C-N 3.28Å; N845-E847 PolarHBondContact O-N 2.7Å; N845-E847 PolarHBondContact OD1-N 2.84Å; E847-M849 VanDerWaalsContact C-N 3.28Å; E847-M849 PolarHBondContact O-N 3.34Å; E847-R850 CarbonylContact O-C 3.45Å; E847-R850 WeakPolarHBondContact O-CA 3.35Å; E847-R850 WeakPolarHBondContact O-CB 3.46Å; E847-R850 PolarHBondContact O-N 3.41Å; E847-Q851 WeakPolarHBondContact O-CG 3.19Å; E847-Q851 PolarHBondContact O-N 2.89Å
848	R	91.9	Very high	92.4	Very high	26 Å²	26	45.4 Å²	45.4	10%	0.098	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-32	177.1	-171.2	173.3	-75.2	-170.6	1.7	112.3	Y763 N765 D769 L774 F844 N845 Q851 S852	Y763-R848 VanDerWaalsContact CE1-NH1 3.32Å; N765-R848 PolarHBondContact OD1-NH1 3.34Å; N765-R848 PolarHBondContact OD1-NH2 2.93Å; D769-R848 VanDerWaalsContact CG-NE 3.25Å; D769-R848 IonicContact OD1-CZ 2.63Å; D769-R848 IonicContact OD1-NE 3.35Å; D769-R848 PolarHBondContact OD1-NE 2.77Å; D769-R848 IonicContact OD1-NH2 2.75Å; D769-R848 PolarHBondContact OD1-NH2 3Å; D769-R848 IonicContact OD2-CZ 2.72Å; D769-R848 IonicContact OD2-NE 2.72Å; D769-R848 PolarHBondContact OD2-NE 2.99Å; D769-R848 IonicContact OD2-NH2 3.11Å; D769-R848 PolarHBondContact OD2-NH2 2.83Å; L774-R848 HydrophobicContact CD1-CG 4.04Å; L774-R848 HydrophobicContact CD2-CG 3.78Å; F844-R848 HydrophobicContact CD1-CG 3.96Å; F844-R848 HydrophobicContact CD2-CG 4.26Å; F844-R848 HydrophobicContact CE1-CG 4.04Å; F844-R848 HydrophobicContact CE2-CG 4.34Å; F844-R848 HydrophobicContact CG-CG 4.07Å; F844-R848 HydrophobicContact CZ-CG 4.23Å; N845-R848 WeakPolarHBondContact OD1-CB 3.3Å; N845-R848 PolarHBondContact OD1-N 3.49Å; R848-Q851 PolarHBondContact O-N 2.99Å; R848-S852 PolarHBondContact O-N 3.08Å; R848-S852 VanDerWaalsContact O-N 3.11Å
849	M	93.7	Very high	92.5	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-44.9	168.4	-71.5	-172.3	-15.4	0	0	111.9	L836 F844 N845 E847 Q851 S852 Y855 C858 L859 R862	L836-M849 HydrophobicContact CD1-SD 4.01Å; L836-M849 HydrophobicContact CG-SD 4.33Å; F844-M849 HydrophobicContact CB-CG 3.99Å; F844-M849 HydrophobicContact CD2-CG 4.05Å; N845-M849 VanDerWaalsContact O-CG 3.3Å; N845-M849 WeakPolarHBondContact O-CG 3.44Å; N845-M849 PolarHBondContact O-N 3.37Å; E847-M849 VanDerWaalsContact C-N 3.28Å; E847-M849 PolarHBondContact O-N 3.34Å; M849-Q851 VanDerWaalsContact C-N 3.33Å; M849-S852 PolarHBondContact O-N 2.66Å; M849-S852 PolarHBondContact O-OG 3.5Å; M849-Y855 HydrophobicContact CB-CD2 3.93Å; M849-Y855 HydrophobicContact CB-CE2 4.31Å; M849-Y855 HydrophobicContact CE-CD2 4.4Å; M849-Y855 HydrophobicContact CE-CE2 4.02Å; M849-C858 HydrophobicContact CB-CB 4.24Å; M849-C858 HydrophobicContact CE-CB 4.5Å; M849-C858 HydrophobicContact CG-CB 3.77Å; M849-C858 HydrophobicContact SD-CB 3.64Å; M849-L859 HydrophobicContact CE-CD2 3.83Å; M849-R862 VanDerWaalsContact CE-CZ 3.41Å; M849-R862 VanDerWaalsContact SD-CZ 3.53Å; M849-R862 PolarHBondContact SD-NE 2.81Å; M849-R862 PolarHBondContact SD-NH2 3.11Å
850	R	92.3	Very high	92.6	Very high	156 Å²	156	48 Å²	48	59%	0.589	24%	0.244	S	C	*	.	H	α-helix	trans	-68.5	-29.3	179	-70.7	167	179	-110.5	7	112.8	E846 E847 Y855	E846-R850 VanDerWaalsContact O-CG 3.29Å; E846-R850 WeakPolarHBondContact O-CG 3.33Å; E846-R850 PolarHBondContact O-N 3.22Å; E846-R850 VanDerWaalsContact O-N 3.09Å; E846-R850 IonicContact OE1-CZ 3.32Å; E846-R850 VanDerWaalsContact OE1-CZ 3.32Å; E846-R850 IonicContact OE1-NE 2.66Å; E846-R850 PolarHBondContact OE1-NE 3.44Å; E846-R850 VanDerWaalsContact OE1-NE 3.1Å; E846-R850 IonicContact OE1-NH2 2.69Å; E846-R850 PolarHBondContact OE1-NH2 3.44Å; E847-R850 CarbonylContact O-C 3.45Å; E847-R850 WeakPolarHBondContact O-CA 3.35Å; E847-R850 WeakPolarHBondContact O-CB 3.46Å; E847-R850 PolarHBondContact O-N 3.41Å; R850-Y855 HydrophobicContact CB-CD2 4.38Å; R850-Y855 HydrophobicContact CB-CE2 4.47Å; R850-Y855 HydrophobicContact CG-CD2 3.86Å; R850-Y855 HydrophobicContact CG-CE2 3.49Å; R850-Y855 VanDerWaalsContact CG-CE2 3.49Å
851	Q	90.2	Very high	93	Very high	73 Å²	73	46.6 Å²	46.6	34%	0.341	23%	0.234	S	C	.	.	H	α-helix	trans	-74.5	-25.7	173.7	-70	162.2	-16.1	0	0	112.4	D769 T771 L774 E847 R848 M849	D769-Q851 VanDerWaalsContact CB-OE1 3.27Å; D769-Q851 PolarHBondContact OD2-OE1 3.19Å; T771-Q851 PolarHBondContact OG1-O 2.95Å; L774-Q851 HydrophobicContact CD1-CB 4.44Å; E847-Q851 WeakPolarHBondContact O-CG 3.19Å; E847-Q851 PolarHBondContact O-N 2.89Å; R848-Q851 PolarHBondContact O-N 2.99Å; M849-Q851 VanDerWaalsContact C-N 3.33Å
852	S	89.8	Confident	93.4	Very high	7 Å²	7	46.1 Å²	46.1	5%	0.049	23%	0.23	C	C	.	.	S	Bend	trans	-78.2	142.5	175.6	82	0	0	0	0	112.7	R848 M849 M854 Y855	R848-S852 PolarHBondContact O-N 3.08Å; R848-S852 VanDerWaalsContact O-N 3.11Å; M849-S852 PolarHBondContact O-N 2.66Å; M849-S852 PolarHBondContact O-OG 3.5Å; S852-M854 PolarHBondContact O-N 2.91Å; S852-M854 WeakPolarHBondContact OG-CG 3.17Å; S852-M854 PolarHBondContact OG-N 3.35Å; S852-Y855 PolarHBondContact O-N 2.93Å
853	A	89.9	Confident	93.7	Very high	59 Å²	59	50.8 Å²	50.8	49%	0.488	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	1.3	170.4	0	0	0	0	0	114.3	T771 F950	T771-A853 HydrophobicContact CG2-CB 3.51Å; A853-F950 HydrophobicContact CB-CZ 4.42Å; A853-F950 WeakPolarHBondContact O-CE2 3.18Å
854	M	93.1	Very high	93.9	Very high	22 Å²	22	48.1 Å²	48.1	11%	0.108	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	26.7	179.4	59.3	159.5	53.7	0	0	113	L775 L778 S852 D856 L857 C858 M861 F950	L775-M854 HydrophobicContact CD2-CE 3.77Å; L778-M854 HydrophobicContact CD1-CE 4.02Å; L778-M854 HydrophobicContact CD1-SD 3.7Å; S852-M854 PolarHBondContact O-N 2.91Å; S852-M854 WeakPolarHBondContact OG-CG 3.17Å; S852-M854 PolarHBondContact OG-N 3.35Å; M854-D856 PolarHBondContact O-N 3Å; M854-L857 HydrophobicContact CB-CB 4.27Å; M854-L857 HydrophobicContact CB-CD1 4.02Å; M854-L857 WeakPolarHBondContact O-CB 3.3Å; M854-L857 PolarHBondContact O-N 2.8Å; M854-L857 VanDerWaalsContact O-N 3.15Å; M854-C858 WeakPolarHBondContact O-CB 3.18Å; M854-C858 PolarHBondContact O-N 2.91Å; M854-C858 PolarHBondContact O-SG 2.87Å; M854-M861 HydrophobicContact SD-CE 4.4Å; M854-F950 HydrophobicContact CB-CE1 4.02Å; M854-F950 HydrophobicContact CB-CE2 4.48Å; M854-F950 HydrophobicContact CB-CZ 3.93Å; M854-F950 HydrophobicContact CE-CD1 4.27Å; M854-F950 HydrophobicContact CE-CE1 3.76Å
855	Y	94.6	Very high	94	Very high	66 Å²	66	48.1 Å²	48.1	26%	0.259	24%	0.239	S	C	.	.	H	α-helix	trans	-50.1	-50.4	-177.5	179.1	-112	0	0	0	113.9	M849 R850 S852 L857 C858 L859	M849-Y855 HydrophobicContact CB-CD2 3.93Å; M849-Y855 HydrophobicContact CB-CE2 4.31Å; M849-Y855 HydrophobicContact CE-CD2 4.4Å; M849-Y855 HydrophobicContact CE-CE2 4.02Å; R850-Y855 HydrophobicContact CB-CD2 4.38Å; R850-Y855 HydrophobicContact CB-CE2 4.47Å; R850-Y855 HydrophobicContact CG-CD2 3.86Å; R850-Y855 HydrophobicContact CG-CE2 3.49Å; R850-Y855 VanDerWaalsContact CG-CE2 3.49Å; S852-Y855 PolarHBondContact O-N 2.93Å; Y855-L857 VanDerWaalsContact C-N 3.34Å; Y855-L857 PolarHBondContact O-N 3.34Å; Y855-C858 WeakPolarHBondContact O-CB 3.47Å; Y855-C858 PolarHBondContact O-N 3.07Å; Y855-L859 HydrophobicContact CD1-CD1 4.2Å; Y855-L859 HydrophobicContact CE1-CD1 3.64Å; Y855-L859 HydrophobicContact CE1-CG 4.31Å; Y855-L859 HydrophobicContact CE2-CD2 4.39Å; Y855-L859 HydrophobicContact CE2-CG 4.4Å; Y855-L859 PolarHBondContact O-N 3.26Å
856	D	95.4	Very high	94.3	Very high	93 Å²	93	48.9 Å²	48.9	50%	0.497	24%	0.24	S	C	.	.	H	α-helix	trans	-67.2	-34.7	-178.4	-69.5	-40.9	0	0	0	112.8	R548 M854 L859 G860	R548-D856 IonicContact CZ-OD1 2.67Å; R548-D856 IonicContact NH1-OD1 3.1Å; R548-D856 PolarHBondContact NH1-OD1 2.93Å; R548-D856 IonicContact NH2-OD1 2.75Å; R548-D856 PolarHBondContact NH2-OD1 3.22Å; M854-D856 PolarHBondContact O-N 3Å; D856-L859 PolarHBondContact O-N 2.95Å; D856-G860 PolarHBondContact O-N 3.33Å; D856-G860 VanDerWaalsContact O-N 3.09Å
857	L	96	Very high	94.6	Very high	24 Å²	24	47.2 Å²	47.2	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-69	-37.6	173.9	-60	166.9	0	0	0	110.8	M854 Y855 G860 M861 N946 L947 F950	M854-L857 HydrophobicContact CB-CB 4.27Å; M854-L857 HydrophobicContact CB-CD1 4.02Å; M854-L857 WeakPolarHBondContact O-CB 3.3Å; M854-L857 PolarHBondContact O-N 2.8Å; M854-L857 VanDerWaalsContact O-N 3.15Å; Y855-L857 VanDerWaalsContact C-N 3.34Å; Y855-L857 PolarHBondContact O-N 3.34Å; L857-G860 WeakPolarHBondContact O-CA 3.37Å; L857-G860 PolarHBondContact O-N 3.04Å; L857-G860 VanDerWaalsContact O-N 3.17Å; L857-M861 WeakPolarHBondContact O-CG 3.4Å; L857-M861 PolarHBondContact O-N 3.34Å; L857-N946 HydrophobicContact CD2-CB 3.72Å; L857-L947 HydrophobicContact CB-CD2 3.87Å; L857-L947 HydrophobicContact CD1-CD2 4.25Å; L857-L947 HydrophobicContact CD2-CD2 4.22Å; L857-L947 HydrophobicContact CD2-CG 4.36Å; L857-L947 HydrophobicContact CG-CD2 4.33Å; L857-F950 HydrophobicContact CD1-CB 3.52Å; L857-F950 HydrophobicContact CD1-CD1 3.84Å; L857-F950 HydrophobicContact CD1-CD2 3.78Å; L857-F950 HydrophobicContact CD1-CE2 4.46Å; L857-F950 HydrophobicContact CD1-CG 3.43Å; L857-F950 VanDerWaalsContact CD1-CG 3.43Å
858	C	96.8	Very high	94.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-39.2	173	-69.9	0	0	0	0	112.1	L836 M849 M854 Y855 G860 M861 R862	L836-C858 HydrophobicContact CD1-CB 3.66Å; M849-C858 HydrophobicContact CB-CB 4.24Å; M849-C858 HydrophobicContact CE-CB 4.5Å; M849-C858 HydrophobicContact CG-CB 3.77Å; M849-C858 HydrophobicContact SD-CB 3.64Å; M854-C858 WeakPolarHBondContact O-CB 3.18Å; M854-C858 PolarHBondContact O-N 2.91Å; M854-C858 PolarHBondContact O-SG 2.87Å; Y855-C858 WeakPolarHBondContact O-CB 3.47Å; Y855-C858 PolarHBondContact O-N 3.07Å; C858-G860 VanDerWaalsContact C-N 3.31Å; C858-G860 PolarHBondContact O-N 2.79Å; C858-M861 HydrophobicContact CB-CE 4.48Å; C858-M861 PolarHBondContact O-N 3.22Å; C858-R862 VanDerWaalsContact O-CB 3.26Å; C858-R862 WeakPolarHBondContact O-CB 3.48Å; C858-R862 PolarHBondContact O-N 2.59Å
859	L	96.1	Very high	95.1	Very high	53 Å²	53	42.4 Å²	42.4	28%	0.277	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-40.9	170.6	-67.3	177.9	0	0	0	111.4	M849 Y855 D856 R862 Q863	M849-L859 HydrophobicContact CE-CD2 3.83Å; Y855-L859 HydrophobicContact CD1-CD1 4.2Å; Y855-L859 HydrophobicContact CE1-CD1 3.64Å; Y855-L859 HydrophobicContact CE1-CG 4.31Å; Y855-L859 HydrophobicContact CE2-CD2 4.39Å; Y855-L859 HydrophobicContact CE2-CG 4.4Å; Y855-L859 PolarHBondContact O-N 3.26Å; D856-L859 PolarHBondContact O-N 2.95Å; L859-R862 PolarHBondContact O-N 3.21Å; L859-Q863 WeakPolarHBondContact O-CB 3.17Å; L859-Q863 PolarHBondContact O-N 3.26Å
860	G	95.9	Very high	95.3	Very high	22 Å²	22	48.9 Å²	48.9	23%	0.227	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-49	173.7	0	0	0	0	0	113.6	D856 L857 C858 R862 Q863 V864	D856-G860 PolarHBondContact O-N 3.33Å; D856-G860 VanDerWaalsContact O-N 3.09Å; L857-G860 WeakPolarHBondContact O-CA 3.37Å; L857-G860 PolarHBondContact O-N 3.04Å; L857-G860 VanDerWaalsContact O-N 3.17Å; C858-G860 VanDerWaalsContact C-N 3.31Å; C858-G860 PolarHBondContact O-N 2.79Å; G860-R862 VanDerWaalsContact C-N 3.31Å; G860-R862 PolarHBondContact O-N 3.38Å; G860-Q863 WeakPolarHBondContact O-CB 3.49Å; G860-Q863 PolarHBondContact O-N 3.44Å; G860-V864 PolarHBondContact O-N 2.69Å
861	M	96.7	Very high	95.4	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.03	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-35.7	176	-66.9	-177.8	-70.3	0	0	112.2	L823 L836 F838 M854 L857 C858 V864 S865 L943 L947	L823-M861 HydrophobicContact CD2-CB 4.1Å; L823-M861 HydrophobicContact CD2-CE 4.36Å; L823-M861 HydrophobicContact CD2-CG 4.21Å; L823-M861 HydrophobicContact CD2-SD 3.42Å; L823-M861 WeakPolarHBondContact CD2-SD 3.43Å; L836-M861 HydrophobicContact CD1-CB 4.23Å; L836-M861 HydrophobicContact CD1-CE 4.3Å; L836-M861 HydrophobicContact CD2-CB 3.91Å; F838-M861 HydrophobicContact CE1-CE 4.5Å; F838-M861 HydrophobicContact CZ-CE 3.99Å; M854-M861 HydrophobicContact SD-CE 4.4Å; L857-M861 WeakPolarHBondContact O-CG 3.4Å; L857-M861 PolarHBondContact O-N 3.34Å; C858-M861 HydrophobicContact CB-CE 4.48Å; C858-M861 PolarHBondContact O-N 3.22Å; M861-V864 PolarHBondContact O-N 2.85Å; M861-S865 PolarHBondContact O-N 3.46Å; M861-S865 PolarHBondContact O-OG 3.27Å; M861-L943 HydrophobicContact CG-CD1 4.5Å; M861-L943 HydrophobicContact CG-CD2 4.04Å; M861-L947 HydrophobicContact CE-CD2 4.14Å; M861-L947 HydrophobicContact CG-CD1 4.19Å; M861-L947 HydrophobicContact SD-CD1 4.07Å; M861-L947 HydrophobicContact SD-CD2 4Å
862	R	96.7	Very high	95.6	Very high	26 Å²	26	45.2 Å²	45.2	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-67.4	-39	174.7	-169.7	-176.7	-74.7	-155.8	-9.9	110.9	Q834 L836 M849 C858 L859 G860 V864 S865 Q866	Q834-R862 PolarHBondContact O-NE 2.68Å; Q834-R862 PolarHBondContact O-NH1 2.75Å; Q834-R862 PolarHBondContact O-NH2 3.14Å; L836-R862 HydrophobicContact CD2-CB 4.26Å; L836-R862 HydrophobicContact CG-CB 4.47Å; M849-R862 VanDerWaalsContact CE-CZ 3.41Å; M849-R862 VanDerWaalsContact SD-CZ 3.53Å; M849-R862 PolarHBondContact SD-NE 2.81Å; M849-R862 PolarHBondContact SD-NH2 3.11Å; C858-R862 VanDerWaalsContact O-CB 3.26Å; C858-R862 WeakPolarHBondContact O-CB 3.48Å; C858-R862 PolarHBondContact O-N 2.59Å; L859-R862 PolarHBondContact O-N 3.21Å; G860-R862 VanDerWaalsContact C-N 3.31Å; G860-R862 PolarHBondContact O-N 3.38Å; R862-V864 PolarHBondContact O-N 2.86Å; R862-S865 VanDerWaalsContact O-CB 3.28Å; R862-S865 WeakPolarHBondContact O-CB 3.33Å; R862-S865 PolarHBondContact O-N 2.95Å; R862-S865 VanDerWaalsContact O-N 3.14Å; R862-Q866 WeakPolarHBondContact O-CG 3.4Å; R862-Q866 PolarHBondContact O-N 3.11Å
863	Q	96.9	Very high	95.9	Very high	98 Å²	98	45 Å²	45	46%	0.458	23%	0.226	S	C	.	.	H	α-helix	trans	-62.2	-40.1	176.7	-173.5	61.3	72.3	0	0	112.6	L859 G860 S865 Q866 E867	L859-Q863 WeakPolarHBondContact O-CB 3.17Å; L859-Q863 PolarHBondContact O-N 3.26Å; G860-Q863 WeakPolarHBondContact O-CB 3.49Å; G860-Q863 PolarHBondContact O-N 3.44Å; Q863-S865 VanDerWaalsContact C-N 3.34Å; Q863-Q866 PolarHBondContact O-N 3.02Å; Q863-E867 PolarHBondContact O-N 3.23Å
864	V	97.3	Very high	96.1	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-43.3	172.7	175.7	0	0	0	0	110.9	S824 G860 M861 R862 Q866 E867 F868 M940 L943	S824-V864 WeakPolarHBondContact OG-CG1 3.46Å; G860-V864 PolarHBondContact O-N 2.69Å; M861-V864 PolarHBondContact O-N 2.85Å; R862-V864 PolarHBondContact O-N 2.86Å; V864-Q866 VanDerWaalsContact C-N 3.26Å; V864-Q866 PolarHBondContact O-N 3.36Å; V864-E867 WeakPolarHBondContact O-CB 3.39Å; V864-E867 PolarHBondContact O-N 3.26Å; V864-E867 VanDerWaalsContact O-N 3.14Å; V864-F868 HydrophobicContact CG1-CD1 4.26Å; V864-F868 HydrophobicContact CG1-CE1 3.58Å; V864-F868 HydrophobicContact CG1-CZ 4.07Å; V864-F868 WeakPolarHBondContact O-CD1 3.44Å; V864-F868 PolarHBondContact O-N 3.44Å; V864-F868 VanDerWaalsContact O-N 3.13Å; V864-M940 HydrophobicContact CB-SD 4.3Å; V864-M940 HydrophobicContact CG1-SD 3.53Å; V864-M940 VanDerWaalsContact CG1-SD 3.53Å; V864-M940 HydrophobicContact CG2-SD 3.8Å; V864-L943 HydrophobicContact CG2-CD2 3.65Å
865	S	97.4	Very high	96.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-37.1	176.1	-50.3	0	0	0	0	112	S824 S827 M861 R862 Q863 F868 V869	S824-S865 WeakPolarHBondContact CA-OG 2.94Å; S827-S865 WeakPolarHBondContact CB-OG 3.26Å; M861-S865 PolarHBondContact O-N 3.46Å; M861-S865 PolarHBondContact O-OG 3.27Å; R862-S865 VanDerWaalsContact O-CB 3.28Å; R862-S865 WeakPolarHBondContact O-CB 3.33Å; R862-S865 PolarHBondContact O-N 2.95Å; R862-S865 VanDerWaalsContact O-N 3.14Å; Q863-S865 VanDerWaalsContact C-N 3.34Å; S865-F868 WeakPolarHBondContact O-CB 3.23Å; S865-F868 PolarHBondContact O-N 3.46Å; S865-V869 PolarHBondContact O-N 2.8Å
866	Q	97.1	Very high	96.2	Very high	77 Å²	77	46 Å²	46	36%	0.36	23%	0.225	S	C	.	.	H	α-helix	trans	-73.5	-33.1	175.7	-68.5	172.8	3.6	0	0	112.8	G833 R862 Q863 V864 F868 V869 R870	G833-Q866 VanDerWaalsContact O-CG 3.31Å; G833-Q866 WeakPolarHBondContact O-CG 3.42Å; G833-Q866 PolarHBondContact O-NE2 3.1Å; R862-Q866 WeakPolarHBondContact O-CG 3.4Å; R862-Q866 PolarHBondContact O-N 3.11Å; Q863-Q866 PolarHBondContact O-N 3.02Å; V864-Q866 VanDerWaalsContact C-N 3.26Å; V864-Q866 PolarHBondContact O-N 3.36Å; Q866-F868 VanDerWaalsContact C-N 3.27Å; Q866-F868 PolarHBondContact O-N 3.28Å; Q866-V869 WeakPolarHBondContact O-CB 3.18Å; Q866-V869 PolarHBondContact O-N 3.31Å; Q866-R870 WeakPolarHBondContact O-CB 3.43Å; Q866-R870 PolarHBondContact O-N 3.48Å
867	E	97.7	Very high	96.3	Very high	51 Å²	51	41.6 Å²	41.6	24%	0.238	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-32.8	171.5	-75.7	-66.6	103	0	0	111.9	Q863 V864 V869 R870 L871 L936	Q863-E867 PolarHBondContact O-N 3.23Å; V864-E867 WeakPolarHBondContact O-CB 3.39Å; V864-E867 PolarHBondContact O-N 3.26Å; V864-E867 VanDerWaalsContact O-N 3.14Å; E867-V869 VanDerWaalsContact C-N 3.35Å; E867-R870 VanDerWaalsContact CD-NE 3.34Å; E867-R870 PolarHBondContact O-N 3.29Å; E867-R870 WeakPolarHBondContact OE1-CD 3.45Å; E867-R870 IonicContact OE1-CZ 2.75Å; E867-R870 IonicContact OE1-NE 3.17Å; E867-R870 PolarHBondContact OE1-NE 3.38Å; E867-R870 IonicContact OE1-NH2 2.72Å; E867-R870 IonicContact OE2-CZ 3.21Å; E867-R870 IonicContact OE2-NE 3.68Å; E867-R870 PolarHBondContact OE2-NE 3.02Å; E867-R870 IonicContact OE2-NH2 3.16Å; E867-R870 PolarHBondContact OE2-NH2 3.06Å; E867-L871 VanDerWaalsContact O-CB 3.27Å; E867-L871 WeakPolarHBondContact O-CB 3.43Å; E867-L871 VanDerWaalsContact O-CG 3.29Å; E867-L871 WeakPolarHBondContact O-CG 3.21Å; E867-L871 PolarHBondContact O-N 2.83Å; E867-L936 HydrophobicContact CB-CD1 4.06Å; E867-L936 HydrophobicContact CB-CD2 4.25Å; E867-L936 HydrophobicContact CG-CD1 4.42Å
868	F	97.8	Very high	96.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-38.6	173.4	-68.9	16.5	0	0	0	111.7	F821 W825 Y828 V864 S865 Q866 Q872 L873 F878 L936	F821-F868 HydrophobicContact CD2-CE1 4.24Å; F821-F868 AromaticContact CD2-CZ 3.66Å; F821-F868 HydrophobicContact CD2-CZ 3.66Å; F821-F868 AromaticContact CE2-CE1 3.78Å; F821-F868 HydrophobicContact CE2-CE1 3.78Å; F821-F868 HydrophobicContact CE2-CE2 4.5Å; F821-F868 AromaticContact CE2-CZ 3.41Å; F821-F868 HydrophobicContact CE2-CZ 3.41Å; F821-F868 VanDerWaalsContact CE2-CZ 3.41Å; F821-F868 HydrophobicContact CG-CZ 4.33Å; F821-F868 HydrophobicContact CZ-CE1 4.47Å; F821-F868 AromaticContact CZ-CZ 3.91Å; F821-F868 HydrophobicContact CZ-CZ 3.91Å; W825-F868 HydrophobicContact CB-CE2 4Å; W825-F868 AromaticContact CE3-CD2 3.96Å; W825-F868 HydrophobicContact CE3-CD2 3.96Å; W825-F868 HydrophobicContact CE3-CE2 4.14Å; Y828-F868 HydrophobicContact CD1-CB 3.92Å; Y828-F868 HydrophobicContact CD1-CD2 4.14Å; Y828-F868 HydrophobicContact CD2-CB 4.19Å; Y828-F868 HydrophobicContact CE1-CB 4.48Å; Y828-F868 HydrophobicContact CG-CB 3.76Å; Y828-F868 HydrophobicContact CG-CD2 4.33Å; V864-F868 HydrophobicContact CG1-CD1 4.26Å; V864-F868 HydrophobicContact CG1-CE1 3.58Å; V864-F868 HydrophobicContact CG1-CZ 4.07Å; V864-F868 WeakPolarHBondContact O-CD1 3.44Å; V864-F868 PolarHBondContact O-N 3.44Å; V864-F868 VanDerWaalsContact O-N 3.13Å; S865-F868 WeakPolarHBondContact O-CB 3.23Å; S865-F868 PolarHBondContact O-N 3.46Å; Q866-F868 VanDerWaalsContact C-N 3.27Å; Q866-F868 PolarHBondContact O-N 3.28Å; F868-Q872 WeakPolarHBondContact O-CA 3.23Å; F868-Q872 PolarHBondContact O-N 3.49Å; F868-L873 HydrophobicContact CB-CB 4.24Å; F868-L873 HydrophobicContact CB-CD2 4.48Å; F868-L873 HydrophobicContact CD1-CD2 3.95Å; F868-L873 HydrophobicContact CD2-CD2 3.77Å; F868-L873 HydrophobicContact CE1-CD2 4.1Å; F868-L873 HydrophobicContact CE2-CD2 3.89Å; F868-L873 HydrophobicContact CG-CB 4.44Å; F868-L873 HydrophobicContact CG-CD2 3.8Å; F868-L873 HydrophobicContact CZ-CD2 4.07Å; F868-L873 PolarHBondContact O-N 2.76Å; F868-F878 HydrophobicContact CE2-CD2 4.43Å; F868-L936 HydrophobicContact CD1-CD2 3.8Å; F868-L936 HydrophobicContact CE1-CD2 3.77Å
869	V	96.6	Very high	96.4	Very high	44 Å²	44	40.6 Å²	40.6	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-63.4	-51.6	172.2	-177.3	0	0	0	0	110.1	Y828 N832 S865 Q866 E867 L871 Q872	Y828-V869 HydrophobicContact CD2-CB 4.42Å; Y828-V869 HydrophobicContact CD2-CG2 3.6Å; Y828-V869 HydrophobicContact CE2-CB 4.44Å; Y828-V869 HydrophobicContact CE2-CG2 4.02Å; N832-V869 WeakPolarHBondContact O-CG2 3.46Å; N832-V869 WeakPolarHBondContact OD1-CG2 3.27Å; S865-V869 PolarHBondContact O-N 2.8Å; Q866-V869 WeakPolarHBondContact O-CB 3.18Å; Q866-V869 PolarHBondContact O-N 3.31Å; E867-V869 VanDerWaalsContact C-N 3.35Å; V869-L871 VanDerWaalsContact C-N 3.28Å; V869-L871 PolarHBondContact O-N 3.42Å; V869-Q872 PolarHBondContact O-N 3.46Å; V869-Q872 VanDerWaalsContact O-N 3.07Å
870	R	96.6	Very high	96.5	Very high	137 Å²	137	38 Å²	38	52%	0.517	18%	0.183	S	C	.	.	H	α-helix	trans	-62.3	-33.4	-176.7	-164	-165.6	58.3	61	-0.4	112.9	Q866 E867	Q866-R870 WeakPolarHBondContact O-CB 3.43Å; Q866-R870 PolarHBondContact O-N 3.48Å; E867-R870 VanDerWaalsContact CD-NE 3.34Å; E867-R870 PolarHBondContact O-N 3.29Å; E867-R870 WeakPolarHBondContact OE1-CD 3.45Å; E867-R870 IonicContact OE1-CZ 2.75Å; E867-R870 IonicContact OE1-NE 3.17Å; E867-R870 PolarHBondContact OE1-NE 3.38Å; E867-R870 IonicContact OE1-NH2 2.72Å; E867-R870 IonicContact OE2-CZ 3.21Å; E867-R870 IonicContact OE2-NE 3.68Å; E867-R870 PolarHBondContact OE2-NE 3.02Å; E867-R870 IonicContact OE2-NH2 3.16Å; E867-R870 PolarHBondContact OE2-NH2 3.06Å
871	L	94.9	Very high	96.6	Very high	6 Å²	6	37 Å²	37	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-88.9	-12.8	177	-68.5	167.3	0	0	0	113.3	E867 V869 R929 Q932 L933 L936	E867-L871 VanDerWaalsContact O-CB 3.27Å; E867-L871 WeakPolarHBondContact O-CB 3.43Å; E867-L871 VanDerWaalsContact O-CG 3.29Å; E867-L871 WeakPolarHBondContact O-CG 3.21Å; E867-L871 PolarHBondContact O-N 2.83Å; V869-L871 VanDerWaalsContact C-N 3.28Å; V869-L871 PolarHBondContact O-N 3.42Å; L871-R929 PolarHBondContact O-NH1 2.9Å; L871-R929 PolarHBondContact O-NH2 3.42Å; L871-Q932 HydrophobicContact CD2-CB 3.82Å; L871-Q932 HydrophobicContact CD2-CG 4.29Å; L871-L933 HydrophobicContact CD1-CD2 4.28Å; L871-L936 HydrophobicContact CD1-CD2 3.83Å
872	Q	94.2	Very high	96.7	Very high	145 Å²	145	37.1 Å²	37.1	68%	0.678	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	63.8	-168.8	-58.8	-179.1	7	0	0	110.5	F868 V869 T874 R929	F868-Q872 WeakPolarHBondContact O-CA 3.23Å; F868-Q872 PolarHBondContact O-N 3.49Å; V869-Q872 PolarHBondContact O-N 3.46Å; V869-Q872 VanDerWaalsContact O-N 3.07Å; Q872-T874 PolarHBondContact O-N 2.73Å; Q872-R929 PolarHBondContact O-NH2 2.8Å
873	L	95.9	Very high	96.7	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.168	C	C	.	.			trans	-65.4	120	-174.6	-176	62.4	0	0	0	111.2	W825 F868 E877 F878 M881 L933	W825-L873 HydrophobicContact CE3-CD2 4.11Å; W825-L873 HydrophobicContact CZ3-CB 4.2Å; W825-L873 HydrophobicContact CZ3-CD2 3.99Å; W825-L873 HydrophobicContact CZ3-CG 3.94Å; W825-L873 WeakPolarHBondContact CZ3-O 3.41Å; F868-L873 HydrophobicContact CB-CB 4.24Å; F868-L873 HydrophobicContact CB-CD2 4.48Å; F868-L873 HydrophobicContact CD1-CD2 3.95Å; F868-L873 HydrophobicContact CD2-CD2 3.77Å; F868-L873 HydrophobicContact CE1-CD2 4.1Å; F868-L873 HydrophobicContact CE2-CD2 3.89Å; F868-L873 HydrophobicContact CG-CB 4.44Å; F868-L873 HydrophobicContact CG-CD2 3.8Å; F868-L873 HydrophobicContact CZ-CD2 4.07Å; F868-L873 PolarHBondContact O-N 2.76Å; L873-E877 HydrophobicContact CD1-CB 3.66Å; L873-F878 HydrophobicContact CD2-CB 4.03Å; L873-F878 HydrophobicContact CD2-CD2 4.46Å; L873-F878 HydrophobicContact CG-CB 4.25Å; L873-M881 HydrophobicContact CD1-SD 3.74Å; L873-L933 HydrophobicContact CD1-CD1 4.44Å; L873-L933 HydrophobicContact CD1-CD2 3.68Å
874	T	95	Very high	96.8	Very high	54 Å²	54	31.2 Å²	31.2	33%	0.331	15%	0.146	S	C	.	.			trans	-79.6	160.2	176.6	69.8	0	0	0	0	111.1	Q872 E877 F878	Q872-T874 PolarHBondContact O-N 2.73Å; T874-E877 WeakPolarHBondContact CB-OE2 3.49Å; T874-E877 WeakPolarHBondContact CG2-OE2 3.32Å; T874-E877 PolarHBondContact N-OE2 2.87Å; T874-E877 PolarHBondContact O-N 2.91Å; T874-E877 VanDerWaalsContact OG1-CG 3.24Å; T874-E877 WeakPolarHBondContact OG1-CG 3.39Å; T874-E877 PolarHBondContact OG1-OE2 3.48Å; T874-F878 PolarHBondContact O-N 2.98Å
875	Y	95.3	Very high	96.8	Very high	74 Å²	74	30.7 Å²	30.7	29%	0.29	14%	0.143	S	C	.	.	H	α-helix	trans	-68.7	-41.9	-176.8	-168.6	-145.6	0	0	0	112.4	E752 W825 E877 F878 L879	E752-Y875 HydrophobicContact CB-CE1 4.42Å; E752-Y875 HydrophobicContact CG-CE1 3.94Å; W825-Y875 AromaticContact CE2-CD2 3.88Å; W825-Y875 HydrophobicContact CH2-CD2 4.13Å; W825-Y875 AromaticContact CZ2-CD2 3.33Å; W825-Y875 HydrophobicContact CZ2-CD2 3.33Å; W825-Y875 HydrophobicContact CZ2-CE2 4.12Å; W825-Y875 AromaticContact CZ2-CG 4Å; W825-Y875 HydrophobicContact CZ2-CG 4Å; Y875-E877 PolarHBondContact O-N 3.22Å; Y875-F878 AromaticContact CD2-CD1 3.83Å; Y875-F878 HydrophobicContact CD2-CD1 3.83Å; Y875-F878 AromaticContact CE2-CD1 3.89Å; Y875-F878 HydrophobicContact CE2-CD1 3.89Å; Y875-F878 HydrophobicContact CE2-CE1 4.25Å; Y875-F878 PolarHBondContact O-N 3.45Å; Y875-L879 HydrophobicContact CD1-CD1 4.09Å; Y875-L879 HydrophobicContact CD2-CD1 4.12Å; Y875-L879 HydrophobicContact CD2-CD2 4.43Å; Y875-L879 HydrophobicContact CD2-CG 3.93Å; Y875-L879 HydrophobicContact CE1-CD1 4Å; Y875-L879 HydrophobicContact CE2-CD1 4.03Å; Y875-L879 HydrophobicContact CE2-CD2 3.81Å; Y875-L879 HydrophobicContact CE2-CG 3.8Å; Y875-L879 HydrophobicContact CG-CD1 4.16Å; Y875-L879 HydrophobicContact CG-CG 4.42Å; Y875-L879 WeakPolarHBondContact O-CB 3.44Å; Y875-L879 VanDerWaalsContact O-CG 3.32Å; Y875-L879 WeakPolarHBondContact O-CG 3.36Å; Y875-L879 PolarHBondContact O-N 3.37Å
876	D	94.9	Very high	96.8	Very high	41 Å²	41	30.7 Å²	30.7	22%	0.219	14%	0.143	C	C	.	.	H	α-helix	trans	-50.4	-40	169.5	-90.1	5.9	0	0	0	113.2	C748 S880 K918	C748-D876 WeakPolarHBondContact CB-OD1 3.33Å; D876-S880 WeakPolarHBondContact O-CB 3.49Å; D876-S880 PolarHBondContact O-N 3.42Å; D876-S880 PolarHBondContact O-OG 3.3Å; D876-K918 IonicContact OD1-NZ 2.73Å; D876-K918 WeakPolarHBondContact OD2-CD 3.44Å; D876-K918 WeakPolarHBondContact OD2-CE 3.34Å; D876-K918 IonicContact OD2-NZ 2.69Å; D876-K918 PolarHBondContact OD2-NZ 2.92Å
877	E	96.6	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-76.4	-45.6	178.6	-70.4	164.2	146.6	0	0	111.2	L873 T874 Y875 L879 S880 M881 L912 V916 R929 L933	L873-E877 HydrophobicContact CD1-CB 3.66Å; T874-E877 WeakPolarHBondContact CB-OE2 3.49Å; T874-E877 WeakPolarHBondContact CG2-OE2 3.32Å; T874-E877 PolarHBondContact N-OE2 2.87Å; T874-E877 PolarHBondContact O-N 2.91Å; T874-E877 VanDerWaalsContact OG1-CG 3.24Å; T874-E877 WeakPolarHBondContact OG1-CG 3.39Å; T874-E877 PolarHBondContact OG1-OE2 3.48Å; Y875-E877 PolarHBondContact O-N 3.22Å; E877-L879 PolarHBondContact O-N 3.32Å; E877-S880 PolarHBondContact O-N 2.77Å; E877-M881 VanDerWaalsContact O-CB 3.27Å; E877-M881 WeakPolarHBondContact O-CB 3.33Å; E877-M881 WeakPolarHBondContact O-CG 3.29Å; E877-M881 PolarHBondContact O-N 3.4Å; E877-L912 HydrophobicContact CB-CD1 4.22Å; E877-L912 HydrophobicContact CG-CD1 4.27Å; E877-V916 HydrophobicContact CG-CG2 4.22Å; E877-V916 WeakPolarHBondContact OE1-CG2 3.38Å; E877-R929 IonicContact OE1-CZ 2.61Å; E877-R929 IonicContact OE1-NE 2.73Å; E877-R929 PolarHBondContact OE1-NE 2.77Å; E877-R929 IonicContact OE1-NH2 4Å; E877-R929 PolarHBondContact OE1-NH2 2.96Å; E877-R929 IonicContact OE2-CZ 2.78Å; E877-R929 IonicContact OE2-NE 3.17Å; E877-R929 IonicContact OE2-NH2 3.2Å; E877-R929 PolarHBondContact OE2-NH2 2.82Å; E877-L933 HydrophobicContact CB-CD1 3.95Å; E877-L933 HydrophobicContact CG-CD1 3.84Å
878	F	97.9	Very high	96.5	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-54.9	-50.5	174.2	165.8	-99.1	0	0	0	112	F821 W825 F868 L873 T874 Y875 S880 M881 K882	F821-F878 AromaticContact CD1-CD2 3.87Å; F821-F878 HydrophobicContact CD1-CD2 3.87Å; F821-F878 AromaticContact CD1-CE2 3.44Å; F821-F878 HydrophobicContact CD1-CE2 3.44Å; F821-F878 VanDerWaalsContact CD1-CE2 3.44Å; F821-F878 HydrophobicContact CD1-CZ 4.39Å; F821-F878 AromaticContact CE1-CD2 3.27Å; F821-F878 HydrophobicContact CE1-CD2 3.27Å; F821-F878 AromaticContact CE1-CE2 3.38Å; F821-F878 HydrophobicContact CE1-CE2 3.38Å; F821-F878 HydrophobicContact CE1-CG 4.29Å; F821-F878 HydrophobicContact CE1-CZ 4.46Å; F821-F878 HydrophobicContact CG-CE2 4.44Å; F821-F878 AromaticContact CZ-CD2 3.91Å; F821-F878 HydrophobicContact CZ-CD2 3.91Å; F821-F878 HydrophobicContact CZ-CE2 4.33Å; W825-F878 HydrophobicContact CB-CD2 3.82Å; W825-F878 HydrophobicContact CB-CE1 4.46Å; W825-F878 HydrophobicContact CB-CE2 3.36Å; W825-F878 HydrophobicContact CB-CZ 3.72Å; W825-F878 AromaticContact CD1-CE1 3.83Å; W825-F878 AromaticContact CD1-CZ 3.86Å; W825-F878 HydrophobicContact CD2-CB 4.14Å; W825-F878 AromaticContact CD2-CD1 3.87Å; W825-F878 HydrophobicContact CD2-CD1 3.87Å; W825-F878 AromaticContact CD2-CD2 3.65Å; W825-F878 HydrophobicContact CD2-CD2 3.65Å; W825-F878 HydrophobicContact CD2-CE1 4.2Å; W825-F878 HydrophobicContact CD2-CE2 4.02Å; W825-F878 AromaticContact CD2-CG 3.58Å; W825-F878 HydrophobicContact CD2-CG 3.58Å; W825-F878 HydrophobicContact CD2-CZ 4.27Å; W825-F878 AromaticContact CE2-CD1 3.86Å; W825-F878 AromaticContact CE2-CG 3.96Å; W825-F878 HydrophobicContact CE3-CB 3.72Å; W825-F878 HydrophobicContact CE3-CD1 4.33Å; W825-F878 AromaticContact CE3-CD2 3.6Å; W825-F878 HydrophobicContact CE3-CD2 3.6Å; W825-F878 HydrophobicContact CE3-CE2 4.36Å; W825-F878 AromaticContact CE3-CG 3.59Å; W825-F878 HydrophobicContact CE3-CG 3.59Å; W825-F878 HydrophobicContact CG-CD1 4.1Å; W825-F878 AromaticContact CG-CD2 3.76Å; W825-F878 HydrophobicContact CG-CD2 3.76Å; W825-F878 AromaticContact CG-CE1 3.93Å; W825-F878 HydrophobicContact CG-CE1 3.93Å; W825-F878 AromaticContact CG-CE2 3.6Å; W825-F878 HydrophobicContact CG-CE2 3.6Å; W825-F878 HydrophobicContact CG-CG 4.02Å; W825-F878 AromaticContact CG-CZ 3.68Å; W825-F878 HydrophobicContact CG-CZ 3.68Å; W825-F878 HydrophobicContact CH2-CB 3.9Å; W825-F878 HydrophobicContact CH2-CG 4.34Å; W825-F878 HydrophobicContact CZ2-CB 4.3Å; W825-F878 HydrophobicContact CZ2-CD1 4.31Å; W825-F878 HydrophobicContact CZ2-CG 4.33Å; W825-F878 HydrophobicContact CZ3-CB 3.6Å; W825-F878 HydrophobicContact CZ3-CD2 4.38Å; W825-F878 HydrophobicContact CZ3-CG 4Å; F868-F878 HydrophobicContact CE2-CD2 4.43Å; L873-F878 HydrophobicContact CD2-CB 4.03Å; L873-F878 HydrophobicContact CD2-CD2 4.46Å; L873-F878 HydrophobicContact CG-CB 4.25Å; T874-F878 PolarHBondContact O-N 2.98Å; Y875-F878 AromaticContact CD2-CD1 3.83Å; Y875-F878 HydrophobicContact CD2-CD1 3.83Å; Y875-F878 AromaticContact CE2-CD1 3.89Å; Y875-F878 HydrophobicContact CE2-CD1 3.89Å; Y875-F878 HydrophobicContact CE2-CE1 4.25Å; Y875-F878 PolarHBondContact O-N 3.45Å; F878-S880 VanDerWaalsContact C-N 3.33Å; F878-S880 PolarHBondContact O-N 3.28Å; F878-M881 PolarHBondContact O-N 2.85Å; F878-K882 HydrophobicContact CE1-CD 4.21Å; F878-K882 HydrophobicContact CZ-CD 4.06Å; F878-K882 VanDerWaalsContact O-CB 3.32Å; F878-K882 WeakPolarHBondContact O-CB 3.21Å; F878-K882 PolarHBondContact O-N 2.87Å
879	L	97.6	Very high	96.2	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-60	-44	179.6	-70.2	169.7	0	0	0	111.3	L751 E752 E755 Y875 E877 K882 V883	L751-L879 HydrophobicContact CB-CB 4.01Å; L751-L879 HydrophobicContact CB-CD1 4.19Å; L751-L879 HydrophobicContact CB-CD2 4.4Å; L751-L879 HydrophobicContact CB-CG 4.44Å; L751-L879 HydrophobicContact CD1-CB 4.06Å; E752-L879 HydrophobicContact CB-CD1 3.95Å; E755-L879 HydrophobicContact CB-CD2 4.48Å; E755-L879 HydrophobicContact CG-CD2 4.42Å; Y875-L879 HydrophobicContact CD1-CD1 4.09Å; Y875-L879 HydrophobicContact CD2-CD1 4.12Å; Y875-L879 HydrophobicContact CD2-CD2 4.43Å; Y875-L879 HydrophobicContact CD2-CG 3.93Å; Y875-L879 HydrophobicContact CE1-CD1 4Å; Y875-L879 HydrophobicContact CE2-CD1 4.03Å; Y875-L879 HydrophobicContact CE2-CD2 3.81Å; Y875-L879 HydrophobicContact CE2-CG 3.8Å; Y875-L879 HydrophobicContact CG-CD1 4.16Å; Y875-L879 HydrophobicContact CG-CG 4.42Å; Y875-L879 WeakPolarHBondContact O-CB 3.44Å; Y875-L879 VanDerWaalsContact O-CG 3.32Å; Y875-L879 WeakPolarHBondContact O-CG 3.36Å; Y875-L879 PolarHBondContact O-N 3.37Å; E877-L879 PolarHBondContact O-N 3.32Å; L879-K882 PolarHBondContact O-N 2.95Å; L879-V883 PolarHBondContact O-N 2.91Å
880	S	97.4	Very high	96.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-42	176.6	-57.5	0	0	0	0	112.2	D876 E877 F878 L884	D876-S880 WeakPolarHBondContact O-CB 3.49Å; D876-S880 PolarHBondContact O-N 3.42Å; D876-S880 PolarHBondContact O-OG 3.3Å; E877-S880 PolarHBondContact O-N 2.77Å; F878-S880 VanDerWaalsContact C-N 3.33Å; F878-S880 PolarHBondContact O-N 3.28Å; S880-L884 WeakPolarHBondContact O-CG 3.27Å; S880-L884 PolarHBondContact O-N 3.35Å
881	M	98.2	Very high	95.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.6	-42.6	177.5	-78.7	174.3	74.3	0	0	112.1	F821 L873 E877 F878 V883 L884 L885 L912 L933 L936 L937	F821-M881 HydrophobicContact CE1-CB 3.9Å; F821-M881 HydrophobicContact CE2-CE 3.98Å; F821-M881 HydrophobicContact CZ-CB 3.54Å; F821-M881 HydrophobicContact CZ-CE 3.88Å; F821-M881 HydrophobicContact CZ-CG 4.5Å; F821-M881 HydrophobicContact CZ-SD 4.33Å; L873-M881 HydrophobicContact CD1-SD 3.74Å; E877-M881 VanDerWaalsContact O-CB 3.27Å; E877-M881 WeakPolarHBondContact O-CB 3.33Å; E877-M881 WeakPolarHBondContact O-CG 3.29Å; E877-M881 PolarHBondContact O-N 3.4Å; F878-M881 PolarHBondContact O-N 2.85Å; M881-V883 VanDerWaalsContact C-N 3.34Å; M881-V883 PolarHBondContact O-N 2.72Å; M881-L884 WeakPolarHBondContact O-CA 3.41Å; M881-L884 WeakPolarHBondContact O-CB 3.27Å; M881-L884 PolarHBondContact O-N 3.01Å; M881-L885 PolarHBondContact O-N 3.13Å; M881-L885 VanDerWaalsContact O-N 3.08Å; M881-L912 HydrophobicContact CG-CD1 3.95Å; M881-L912 HydrophobicContact CG-CD2 4.05Å; M881-L933 HydrophobicContact CE-CB 4.23Å; M881-L933 HydrophobicContact CE-CD2 4.4Å; M881-L933 WeakPolarHBondContact CE-O 3.28Å; M881-L933 HydrophobicContact SD-CB 3.88Å; M881-L933 HydrophobicContact SD-CD1 4.09Å; M881-L933 HydrophobicContact SD-CD2 3.9Å; M881-L933 HydrophobicContact SD-CG 4.17Å; M881-L936 HydrophobicContact CE-CB 4.4Å; M881-L936 HydrophobicContact CE-CD2 4.37Å; M881-L937 HydrophobicContact CB-CD2 3.89Å; M881-L937 HydrophobicContact CE-CD2 3.67Å; M881-L937 HydrophobicContact CE-CG 3.97Å; M881-L937 HydrophobicContact CG-CD1 4.4Å; M881-L937 HydrophobicContact CG-CD2 4.06Å; M881-L937 HydrophobicContact CG-CG 4.48Å
882	K	97.9	Very high	95.5	Very high	8 Å²	8	24.6 Å²	24.6	4%	0.035	12%	0.119	C	C	.	.	H	α-helix	trans	-55.9	-46	176.3	-175.5	-174.5	173.4	-178.2	0	111.2	E755 W792 L818 F821 C822 F878 L879 L884 L885 L886	E755-K882 IonicContact OE1-NZ 3.77Å; E755-K882 PolarHBondContact OE1-NZ 2.73Å; E755-K882 IonicContact OE2-NZ 2.66Å; E755-K882 PolarHBondContact OE2-NZ 2.72Å; W792-K882 HydrophobicContact CH2-CD 4.04Å; W792-K882 HydrophobicContact CH2-CG 3.76Å; W792-K882 HydrophobicContact CZ2-CD 3.64Å; W792-K882 VanDerWaalsContact CZ2-CE 3.5Å; W792-K882 HydrophobicContact CZ2-CG 3.81Å; L818-K882 HydrophobicContact CD2-CG 3.86Å; L818-K882 WeakPolarHBondContact CD2-O 3.42Å; F821-K882 HydrophobicContact CD1-CB 4.13Å; F821-K882 HydrophobicContact CE1-CB 4.09Å; C822-K882 VanDerWaalsContact SG-CE 3.58Å; F878-K882 HydrophobicContact CE1-CD 4.21Å; F878-K882 HydrophobicContact CZ-CD 4.06Å; F878-K882 VanDerWaalsContact O-CB 3.32Å; F878-K882 WeakPolarHBondContact O-CB 3.21Å; F878-K882 PolarHBondContact O-N 2.87Å; L879-K882 PolarHBondContact O-N 2.95Å; K882-L884 VanDerWaalsContact C-N 3.33Å; K882-L884 PolarHBondContact O-N 3.16Å; K882-L885 PolarHBondContact O-N 2.86Å; K882-L886 PolarHBondContact O-N 2.91Å
883	V	98.1	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67	-33.1	176	-176.3	0	0	0	0	112.2	L751 W792 L796 L879 M881 L885 L886 L887 M904 Y908	L751-V883 HydrophobicContact CD1-CG2 4.15Å; L751-V883 HydrophobicContact CD2-CG2 3.81Å; W792-V883 HydrophobicContact CH2-CG2 4.04Å; W792-V883 HydrophobicContact CZ2-CG2 3.75Å; L796-V883 HydrophobicContact CD1-CG1 4.29Å; L796-V883 HydrophobicContact CD1-CG2 4.35Å; L796-V883 HydrophobicContact CD2-CG1 4.46Å; L796-V883 HydrophobicContact CD2-CG2 3.59Å; L879-V883 PolarHBondContact O-N 2.91Å; M881-V883 VanDerWaalsContact C-N 3.34Å; M881-V883 PolarHBondContact O-N 2.72Å; V883-L885 VanDerWaalsContact C-N 3.26Å; V883-L885 PolarHBondContact O-N 3.13Å; V883-L886 WeakPolarHBondContact O-CB 3.26Å; V883-L886 PolarHBondContact O-N 3.27Å; V883-L887 HydrophobicContact CG1-CD1 4.11Å; V883-L887 WeakPolarHBondContact O-CG 3.38Å; V883-L887 PolarHBondContact O-N 3.27Å; V883-L887 VanDerWaalsContact O-N 3.17Å; V883-M904 HydrophobicContact CG1-CE 4.42Å; V883-Y908 HydrophobicContact CB-CD1 3.97Å; V883-Y908 HydrophobicContact CB-CE1 4.25Å; V883-Y908 HydrophobicContact CB-CG 4.15Å; V883-Y908 HydrophobicContact CG1-CD1 3.75Å; V883-Y908 HydrophobicContact CG1-CD2 3.54Å; V883-Y908 HydrophobicContact CG1-CE1 3.86Å; V883-Y908 HydrophobicContact CG1-CE2 3.69Å; V883-Y908 HydrophobicContact CG1-CG 3.6Å; V883-Y908 HydrophobicContact CG2-CD1 4.34Å; V883-Y908 HydrophobicContact CG2-CE1 4.2Å
884	L	98.1	Very high	94.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-70	-20.7	175.9	-68	169.6	0	0	0	113.8	S880 M881 K882 L887 S888 R905 I909 L912 L937 F990	S880-L884 WeakPolarHBondContact O-CG 3.27Å; S880-L884 PolarHBondContact O-N 3.35Å; M881-L884 WeakPolarHBondContact O-CA 3.41Å; M881-L884 WeakPolarHBondContact O-CB 3.27Å; M881-L884 PolarHBondContact O-N 3.01Å; K882-L884 VanDerWaalsContact C-N 3.33Å; K882-L884 PolarHBondContact O-N 3.16Å; L884-L887 CarbonylContact O-C 3.41Å; L884-S888 PolarHBondContact O-N 3.48Å; L884-R905 HydrophobicContact CD2-CG 4.3Å; L884-R905 PolarHBondContact O-NH1 2.89Å; L884-I909 HydrophobicContact CD1-CG1 4.33Å; L884-I909 HydrophobicContact CD2-CG1 3.66Å; L884-L912 HydrophobicContact CD1-CB 4.17Å; L884-L912 HydrophobicContact CD1-CD2 3.76Å; L884-L937 HydrophobicContact CB-CD1 4.16Å; L884-L937 HydrophobicContact CD1-CD1 4.3Å; L884-F990 HydrophobicContact CB-CZ 4.29Å; L884-F990 HydrophobicContact CD1-CZ 4.12Å; L884-F990 HydrophobicContact CD2-CZ 4.38Å; L884-F990 HydrophobicContact CG-CZ 4.5Å
885	L	97.6	Very high	94.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-83.2	-27.1	170.1	-63.5	178.7	0	0	0	113.4	S814 L818 F821 M881 K882 V883 L887 S888 L937 M940	S814-L885 WeakPolarHBondContact CB-O 3.44Å; L818-L885 HydrophobicContact CD2-CB 4.14Å; F821-L885 HydrophobicContact CB-CD1 3.69Å; F821-L885 HydrophobicContact CD1-CD1 3.91Å; F821-L885 HydrophobicContact CD2-CD1 3.58Å; F821-L885 HydrophobicContact CE1-CD1 4.45Å; F821-L885 HydrophobicContact CE2-CD1 4.17Å; F821-L885 HydrophobicContact CG-CD1 3.46Å; F821-L885 VanDerWaalsContact CG-CD1 3.46Å; M881-L885 PolarHBondContact O-N 3.13Å; M881-L885 VanDerWaalsContact O-N 3.08Å; K882-L885 PolarHBondContact O-N 2.86Å; V883-L885 VanDerWaalsContact C-N 3.26Å; V883-L885 PolarHBondContact O-N 3.13Å; L885-L887 PolarHBondContact O-N 2.97Å; L885-S888 PolarHBondContact O-OG 3.43Å; L885-L937 HydrophobicContact CD1-CD2 4.14Å; L885-L937 HydrophobicContact CD2-CB 4.25Å; L885-L937 HydrophobicContact CD2-CD2 3.63Å; L885-L937 HydrophobicContact CG-CD2 3.76Å; L885-M940 HydrophobicContact CD1-CG 4.45Å
886	L	97.3	Very high	94.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-33.9	164.6	174.3	61.2	0	0	0	110.7	W792 A793 L796 F799 L810 I811 S814 L818 K882 V883	W792-L886 HydrophobicContact CH2-CD2 4.49Å; W792-L886 HydrophobicContact CZ3-CB 4.45Å; W792-L886 HydrophobicContact CZ3-CD2 4.05Å; A793-L886 HydrophobicContact CB-CD2 4.21Å; L796-L886 HydrophobicContact CD1-CD2 3.32Å; F799-L886 HydrophobicContact CD2-CD2 4.03Å; F799-L886 HydrophobicContact CE2-CD1 4.35Å; F799-L886 HydrophobicContact CE2-CD2 3.87Å; F799-L886 HydrophobicContact CE2-CG 4.3Å; L810-L886 HydrophobicContact CB-CD1 4.27Å; I811-L886 HydrophobicContact CG1-CD1 3.9Å; S814-L886 WeakPolarHBondContact OG-CD1 3.26Å; L818-L886 HydrophobicContact CD1-CB 4.13Å; L818-L886 HydrophobicContact CD1-CD1 4.18Å; L818-L886 HydrophobicContact CD2-CB 4.39Å; K882-L886 PolarHBondContact O-N 2.91Å; V883-L886 WeakPolarHBondContact O-CB 3.26Å; V883-L886 PolarHBondContact O-N 3.27Å
887	L	96.4	Very high	94.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	21.3	-175	-57.7	175	0	0	0	113.5	L810 V883 L884 L885 F901 M904 R905 Y908	L810-L887 HydrophobicContact CD1-CD2 4.15Å; V883-L887 HydrophobicContact CG1-CD1 4.11Å; V883-L887 WeakPolarHBondContact O-CG 3.38Å; V883-L887 PolarHBondContact O-N 3.27Å; V883-L887 VanDerWaalsContact O-N 3.17Å; L884-L887 CarbonylContact O-C 3.41Å; L885-L887 PolarHBondContact O-N 2.97Å; L887-F901 HydrophobicContact CB-CE2 3.89Å; L887-F901 HydrophobicContact CB-CZ 4.47Å; L887-F901 HydrophobicContact CD2-CD2 3.93Å; L887-F901 HydrophobicContact CD2-CE2 3.81Å; L887-F901 HydrophobicContact CG-CE2 4.44Å; L887-F901 WeakPolarHBondContact O-CZ 3.4Å; L887-M904 HydrophobicContact CD1-CE 4.11Å; L887-M904 HydrophobicContact CD1-CG 3.92Å; L887-M904 HydrophobicContact CD1-SD 4.15Å; L887-M904 HydrophobicContact CD2-CE 4.26Å; L887-M904 HydrophobicContact CD2-SD 3.97Å; L887-R905 HydrophobicContact CB-CB 4.33Å; L887-R905 HydrophobicContact CB-CG 4.31Å; L887-R905 HydrophobicContact CD1-CB 4.13Å; L887-R905 WeakPolarHBondContact O-CD 3.42Å; L887-R905 PolarHBondContact O-NH1 3.43Å; L887-Y908 HydrophobicContact CD1-CD2 4.01Å
888	S	92.9	Very high	94.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	16%	0.16	C	C	.	.	S	Bend	trans	-97.5	-25.8	-173.6	62.1	0	0	0	0	115.7	L884 L885 H941 I988	L884-S888 PolarHBondContact O-N 3.48Å; L885-S888 PolarHBondContact O-OG 3.43Å; S888-H941 VanDerWaalsContact CB-CE1 3.47Å; S888-H941 WeakPolarHBondContact CB-CE1 3.44Å; S888-H941 PolarHBondContact OG-CE1 3.2Å; S888-H941 VanDerWaalsContact OG-CE1 3.22Å; S888-I988 PolarHBondContact O-N 2.69Å
889	T	91.7	Very high	94.4	Very high	15 Å²	15	35.7 Å²	35.7	9%	0.092	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.3	-167.3	-41.2	0	0	0	0	109.7	Y813	Y813-T889 HydrophobicContact CG-CG2 4.34Å
890	V	92.8	Very high	94.2	Very high	5 Å²	5	37 Å²	37	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	164.5	-171.7	-63	0	0	0	0	111	L810 L895 F901 H986 I988	L810-V890 HydrophobicContact CD2-CG1 4.16Å; V890-L895 HydrophobicContact CB-CG 4.38Å; V890-L895 HydrophobicContact CG1-CD1 3.86Å; V890-L895 HydrophobicContact CG1-CG 4.14Å; V890-F901 HydrophobicContact CG1-CE1 3.97Å; V890-F901 HydrophobicContact CG1-CE2 4.09Å; V890-F901 HydrophobicContact CG1-CZ 3.59Å; V890-H986 HydrophobicContact CG2-CB 4.31Å; V890-H986 PolarHBondContact N-O 2.98Å; V890-H986 PolarHBondContact O-N 2.88Å; V890-I988 HydrophobicContact CG1-CD1 4.09Å; V890-I988 HydrophobicContact CG2-CD1 4Å; V890-I988 HydrophobicContact CG2-CG1 4.2Å
891	P	91.5	Very high	94.2	Very high	26 Å²	26	37 Å²	37	17%	0.169	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	151.3	167.5	-17.1	30.3	0	0	0	111.7	T809 Y813 E893 G894 L895	T809-P891 HydrophobicContact CG2-CG 3.74Å; Y813-P891 HydrophobicContact CE2-CG 4.07Å; P891-E893 PolarHBondContact O-N 3.35Å; P891-G894 WeakPolarHBondContact CB-O 3.46Å; P891-G894 WeakPolarHBondContact CG-O 3.22Å; P891-G894 PolarHBondContact O-N 3.06Å; P891-L895 HydrophobicContact CG-CD2 4.29Å
892	K	88.2	Confident	94.1	Very high	140 Å²	140	41.9 Å²	41.9	61%	0.609	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.7	169.2	-86.1	-175.1	173.9	164.5	0	113.2	G894 G983 L984 H986	K892-G894 PolarHBondContact O-N 3.47Å; K892-G983 VanDerWaalsContact CD-O 3.26Å; K892-G983 WeakPolarHBondContact CD-O 3.3Å; K892-G983 WeakPolarHBondContact CE-O 3.16Å; K892-G983 PolarHBondContact NZ-O 2.67Å; K892-L984 WeakPolarHBondContact CB-O 3.46Å; K892-L984 PolarHBondContact N-O 3.41Å; K892-H986 HydrophobicContact CG-CB 4.25Å
893	E	88.5	Confident	94	Very high	182 Å²	182	47.5 Å²	47.5	85%	0.85	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-6.7	174.8	-63	176.5	-170.7	0	0	112.7	P891	P891-E893 PolarHBondContact O-N 3.35Å
894	G	89.4	Confident	93.9	Very high	25 Å²	25	48 Å²	48	26%	0.258	25%	0.25	S	C	.	.			trans	85.9	-173.7	-172.9	0	0	0	0	0	113.1	P891 K892	P891-G894 WeakPolarHBondContact CB-O 3.46Å; P891-G894 WeakPolarHBondContact CG-O 3.22Å; P891-G894 PolarHBondContact O-N 3.06Å; K892-G894 PolarHBondContact O-N 3.47Å
895	L	92.6	Very high	93.8	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.073	25%	0.252	C	S	.	.			trans	-103	152.5	172.1	-67.5	172.8	0	0	0	110.6	D806 T809 L810 V890 P891 N897 Q898 F901	D806-L895 HydrophobicContact CB-CD2 4.17Å; T809-L895 HydrophobicContact CG2-CD2 4.21Å; L810-L895 HydrophobicContact CD1-CD1 4.12Å; L810-L895 HydrophobicContact CD2-CD1 4.07Å; L810-L895 HydrophobicContact CG-CD1 4.17Å; V890-L895 HydrophobicContact CB-CG 4.38Å; V890-L895 HydrophobicContact CG1-CD1 3.86Å; V890-L895 HydrophobicContact CG1-CG 4.14Å; P891-L895 HydrophobicContact CG-CD2 4.29Å; L895-N897 PolarHBondContact O-N 3.36Å; L895-Q898 PolarHBondContact O-N 2.93Å; L895-Q898 VanDerWaalsContact O-N 3.13Å; L895-F901 HydrophobicContact CD1-CB 3.79Å; L895-F901 HydrophobicContact CD1-CD1 3.97Å; L895-F901 HydrophobicContact CD1-CD2 3.51Å; L895-F901 HydrophobicContact CD1-CE1 4.44Å; L895-F901 HydrophobicContact CD1-CE2 4.03Å; L895-F901 HydrophobicContact CD1-CG 3.47Å; L895-F901 VanDerWaalsContact CD1-CG 3.47Å; L895-F901 HydrophobicContact CD1-CZ 4.46Å
896	K	92.9	Very high	93.8	Very high	138 Å²	138	52 Å²	52	60%	0.6	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-37.4	-178.6	-66.8	-175.8	176.4	-167.7	0	112.4	P803 E805 D806	P803-K896 HydrophobicContact CB-CB 4.3Å; P803-K896 HydrophobicContact CB-CD 4.21Å; P803-K896 HydrophobicContact CG-CB 4.03Å; E805-K896 IonicContact OE1-NZ 3.46Å; E805-K896 PolarHBondContact OE1-NZ 3.12Å; E805-K896 IonicContact OE2-NZ 2.73Å; E805-K896 PolarHBondContact OE2-NZ 3.23Å; D806-K896 WeakPolarHBondContact OD1-CB 3.16Å; D806-K896 PolarHBondContact OD1-N 3.45Å; D806-K896 PolarHBondContact OD2-N 3.03Å; D806-K896 VanDerWaalsContact OD2-N 3.17Å
897	N	93.1	Very high	93.7	Very high	61 Å²	61	54.2 Å²	54.2	33%	0.326	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	63.4	170.6	-166.1	-9.7	0	0	0	111.3	P803 D806 L895 A899 A900 F901	P803-N897 HydrophobicContact CG-CB 3.73Å; D806-N897 PolarHBondContact OD2-N 3.23Å; L895-N897 PolarHBondContact O-N 3.36Å; N897-A899 PolarHBondContact O-N 3.48Å; N897-A899 VanDerWaalsContact O-N 3.13Å; N897-A900 HydrophobicContact CB-CB 4.34Å; N897-A900 VanDerWaalsContact CG-CB 3.48Å; N897-A900 WeakPolarHBondContact ND2-CB 3.29Å; N897-A900 PolarHBondContact O-N 3.49Å; N897-A900 VanDerWaalsContact O-N 3.14Å; N897-A900 WeakPolarHBondContact OD1-CB 3.4Å; N897-A900 PolarHBondContact OD1-N 3.45Å; N897-A900 VanDerWaalsContact OD1-N 3.11Å; N897-F901 PolarHBondContact O-N 3.14Å; N897-F901 VanDerWaalsContact O-N 3.12Å
898	Q	94.8	Very high	93.7	Very high	58 Å²	58	54.4 Å²	54.4	27%	0.271	29%	0.285	S	S	.	.	H	α-helix	trans	-46.6	-38.7	173.9	-173.3	63.5	24.5	0	0	113.3	L895 F901 E902	L895-Q898 PolarHBondContact O-N 2.93Å; L895-Q898 VanDerWaalsContact O-N 3.13Å; Q898-F901 PolarHBondContact O-N 2.69Å; Q898-E902 WeakPolarHBondContact CG-OE1 3.14Å; Q898-E902 PolarHBondContact NE2-OE1 3.31Å; Q898-E902 WeakPolarHBondContact O-CB 3.45Å; Q898-E902 WeakPolarHBondContact O-CG 3.36Å; Q898-E902 PolarHBondContact O-N 3.34Å
899	A	94.8	Very high	93.9	Very high	72 Å²	72	55.5 Å²	55.5	60%	0.595	29%	0.291	S	S	*	.	H	α-helix	trans	-65.9	-44.2	-179.4	0	0	0	0	0	113.1	N897 E902 E903	N897-A899 PolarHBondContact O-N 3.48Å; N897-A899 VanDerWaalsContact O-N 3.13Å; A899-E902 PolarHBondContact O-N 3.33Å; A899-E903 PolarHBondContact O-N 3.07Å
900	A	95.2	Very high	94.1	Very high	28 Å²	28	59.6 Å²	59.6	23%	0.231	31%	0.307	C	S	.	.	H	α-helix	trans	-68.7	-35.9	176.2	0	0	0	0	0	112	L802 N897 E903 M904	L802-A900 HydrophobicContact CD2-CB 3.77Å; N897-A900 HydrophobicContact CB-CB 4.34Å; N897-A900 VanDerWaalsContact CG-CB 3.48Å; N897-A900 WeakPolarHBondContact ND2-CB 3.29Å; N897-A900 PolarHBondContact O-N 3.49Å; N897-A900 VanDerWaalsContact O-N 3.14Å; N897-A900 WeakPolarHBondContact OD1-CB 3.4Å; N897-A900 PolarHBondContact OD1-N 3.45Å; N897-A900 VanDerWaalsContact OD1-N 3.11Å; A900-E903 PolarHBondContact O-N 3.28Å; A900-M904 WeakPolarHBondContact O-CB 3.31Å; A900-M904 PolarHBondContact O-N 3.44Å
901	F	96.5	Very high	94.2	Very high	1 Å²	1	59.6 Å²	59.6	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-47.1	172.2	164.7	-100.2	0	0	0	111.9	L802 L810 L887 V890 L895 N897 Q898 M904 R905 I988	L802-F901 HydrophobicContact CD2-CB 4.25Å; L810-F901 HydrophobicContact CD1-CD2 3.98Å; L810-F901 HydrophobicContact CD1-CE2 4.33Å; L810-F901 HydrophobicContact CD2-CD2 4.1Å; L810-F901 HydrophobicContact CD2-CE2 3.66Å; L887-F901 HydrophobicContact CB-CE2 3.89Å; L887-F901 HydrophobicContact CB-CZ 4.47Å; L887-F901 HydrophobicContact CD2-CD2 3.93Å; L887-F901 HydrophobicContact CD2-CE2 3.81Å; L887-F901 HydrophobicContact CG-CE2 4.44Å; L887-F901 WeakPolarHBondContact O-CZ 3.4Å; V890-F901 HydrophobicContact CG1-CE1 3.97Å; V890-F901 HydrophobicContact CG1-CE2 4.09Å; V890-F901 HydrophobicContact CG1-CZ 3.59Å; L895-F901 HydrophobicContact CD1-CB 3.79Å; L895-F901 HydrophobicContact CD1-CD1 3.97Å; L895-F901 HydrophobicContact CD1-CD2 3.51Å; L895-F901 HydrophobicContact CD1-CE1 4.44Å; L895-F901 HydrophobicContact CD1-CE2 4.03Å; L895-F901 HydrophobicContact CD1-CG 3.47Å; L895-F901 VanDerWaalsContact CD1-CG 3.47Å; L895-F901 HydrophobicContact CD1-CZ 4.46Å; N897-F901 PolarHBondContact O-N 3.14Å; N897-F901 VanDerWaalsContact O-N 3.12Å; Q898-F901 PolarHBondContact O-N 2.69Å; F901-M904 PolarHBondContact O-N 3.11Å; F901-R905 WeakPolarHBondContact O-CB 3.33Å; F901-R905 PolarHBondContact O-N 2.75Å; F901-I988 HydrophobicContact CE1-CD1 3.69Å; F901-I988 HydrophobicContact CZ-CD1 3.7Å
902	E	95.4	Very high	94.4	Very high	103 Å²	103	58.4 Å²	58.4	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-40.7	178	-77.6	179.8	-159.3	0	0	112	Q898 A899 M904 R905 V906	Q898-E902 WeakPolarHBondContact CG-OE1 3.14Å; Q898-E902 PolarHBondContact NE2-OE1 3.31Å; Q898-E902 WeakPolarHBondContact O-CB 3.45Å; Q898-E902 WeakPolarHBondContact O-CG 3.36Å; Q898-E902 PolarHBondContact O-N 3.34Å; A899-E902 PolarHBondContact O-N 3.33Å; E902-M904 PolarHBondContact O-N 3.08Å; E902-R905 PolarHBondContact O-N 2.87Å; E902-V906 WeakPolarHBondContact O-CB 3.31Å; E902-V906 VanDerWaalsContact O-CG2 3.23Å; E902-V906 WeakPolarHBondContact O-CG2 3.12Å; E902-V906 PolarHBondContact O-N 2.99Å
903	E	96.3	Very high	94.7	Very high	126 Å²	126	58.3 Å²	58.3	59%	0.589	30%	0.295	S	S	*	.	H	α-helix	trans	-60.7	-46.2	174.1	-156.6	-152.7	135.5	0	0	111.2	A899 A900 V906 N907	A899-E903 PolarHBondContact O-N 3.07Å; A900-E903 PolarHBondContact O-N 3.28Å; E903-V906 PolarHBondContact O-N 3.39Å; E903-N907 WeakPolarHBondContact O-CB 3.42Å; E903-N907 PolarHBondContact O-N 3.29Å; E903-N907 PolarHBondContact O-ND2 3.19Å; E903-N907 PolarHBondContact OE1-ND2 3.46Å; E903-N907 VanDerWaalsContact OE1-ND2 3.08Å
904	M	96	Very high	94.9	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.044	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-52.3	176.9	-171.9	-175.8	172.1	0	0	111.1	L796 F799 L802 V883 L887 A900 F901 E902 V906 N907 Y908	L796-M904 HydrophobicContact CB-CE 4.3Å; F799-M904 HydrophobicContact CB-CE 3.78Å; F799-M904 HydrophobicContact CB-SD 4.3Å; F799-M904 HydrophobicContact CD2-CE 4.04Å; F799-M904 HydrophobicContact CD2-SD 4.31Å; F799-M904 HydrophobicContact CG-CE 4.41Å; L802-M904 HydrophobicContact CD1-SD 4.23Å; V883-M904 HydrophobicContact CG1-CE 4.42Å; L887-M904 HydrophobicContact CD1-CE 4.11Å; L887-M904 HydrophobicContact CD1-CG 3.92Å; L887-M904 HydrophobicContact CD1-SD 4.15Å; L887-M904 HydrophobicContact CD2-CE 4.26Å; L887-M904 HydrophobicContact CD2-SD 3.97Å; A900-M904 WeakPolarHBondContact O-CB 3.31Å; A900-M904 PolarHBondContact O-N 3.44Å; F901-M904 PolarHBondContact O-N 3.11Å; E902-M904 PolarHBondContact O-N 3.08Å; M904-V906 PolarHBondContact O-N 3.15Å; M904-N907 PolarHBondContact O-N 3.44Å; M904-N907 VanDerWaalsContact O-N 3.08Å; M904-Y908 HydrophobicContact CE-CD2 4.32Å; M904-Y908 HydrophobicContact CE-CE2 3.59Å; M904-Y908 HydrophobicContact CG-CD2 3.96Å; M904-Y908 HydrophobicContact CG-CE2 3.71Å; M904-Y908 VanDerWaalsContact O-CD2 3.23Å; M904-Y908 WeakPolarHBondContact O-CD2 3.46Å; M904-Y908 PolarHBondContact O-N 2.99Å
905	R	96.7	Very high	95	Very high	16 Å²	16	54.8 Å²	54.8	6%	0.06	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-45.1	178.7	-175.6	174.2	169.1	82.6	-1.1	111.2	L884 L887 F901 E902 N907 Y908 I909 I988	L884-R905 HydrophobicContact CD2-CG 4.3Å; L884-R905 PolarHBondContact O-NH1 2.89Å; L887-R905 HydrophobicContact CB-CB 4.33Å; L887-R905 HydrophobicContact CB-CG 4.31Å; L887-R905 HydrophobicContact CD1-CB 4.13Å; L887-R905 WeakPolarHBondContact O-CD 3.42Å; L887-R905 PolarHBondContact O-NH1 3.43Å; F901-R905 WeakPolarHBondContact O-CB 3.33Å; F901-R905 PolarHBondContact O-N 2.75Å; E902-R905 PolarHBondContact O-N 2.87Å; R905-N907 VanDerWaalsContact C-N 3.29Å; R905-N907 PolarHBondContact O-N 3.1Å; R905-Y908 PolarHBondContact O-N 3.13Å; R905-I909 HydrophobicContact CG-CD1 4.18Å; R905-I909 VanDerWaalsContact O-CG1 3.28Å; R905-I909 WeakPolarHBondContact O-CG1 3.48Å; R905-I909 PolarHBondContact O-N 2.85Å; R905-I988 PolarHBondContact NH2-O 3.36Å
906	V	96.4	Very high	95	Very high	70 Å²	70	54.1 Å²	54.1	42%	0.424	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-34.3	175.9	164.9	0	0	0	0	111.9	E902 E903 M904 I909 K910	E902-V906 WeakPolarHBondContact O-CB 3.31Å; E902-V906 VanDerWaalsContact O-CG2 3.23Å; E902-V906 WeakPolarHBondContact O-CG2 3.12Å; E902-V906 PolarHBondContact O-N 2.99Å; E903-V906 PolarHBondContact O-N 3.39Å; M904-V906 PolarHBondContact O-N 3.15Å; V906-I909 PolarHBondContact O-N 2.76Å; V906-K910 VanDerWaalsContact O-CG 3.31Å; V906-K910 WeakPolarHBondContact O-CG 3.49Å; V906-K910 PolarHBondContact O-N 2.99Å
907	N	95.8	Very high	94.8	Very high	48 Å²	48	49.4 Å²	49.4	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-69.6	-41.2	175.9	-72.4	-25.8	0	0	0	112.4	E903 M904 R905 K910 E911	E903-N907 WeakPolarHBondContact O-CB 3.42Å; E903-N907 PolarHBondContact O-N 3.29Å; E903-N907 PolarHBondContact O-ND2 3.19Å; E903-N907 PolarHBondContact OE1-ND2 3.46Å; E903-N907 VanDerWaalsContact OE1-ND2 3.08Å; M904-N907 PolarHBondContact O-N 3.44Å; M904-N907 VanDerWaalsContact O-N 3.08Å; R905-N907 VanDerWaalsContact C-N 3.29Å; R905-N907 PolarHBondContact O-N 3.1Å; N907-K910 WeakPolarHBondContact O-CB 3.44Å; N907-K910 PolarHBondContact O-N 3.27Å; N907-K910 PolarHBondContact OD1-NZ 3.41Å; N907-E911 PolarHBondContact O-N 3.14Å
908	Y	97.4	Very high	94.3	Very high	5 Å²	5	51.6 Å²	51.6	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-70.8	-28.9	172.5	-71.6	-74.9	0	0	0	113.3	I747 L751 P797 V883 L887 M904 R905 K910 E911 L912	I747-Y908 HydrophobicContact CG2-CD1 4.47Å; I747-Y908 HydrophobicContact CG2-CE1 3.72Å; L751-Y908 HydrophobicContact CD1-CD1 4.44Å; L751-Y908 HydrophobicContact CD1-CE1 4.11Å; L751-Y908 HydrophobicContact CD2-CE1 4.11Å; P797-Y908 WeakPolarHBondContact CB-OH 3.38Å; P797-Y908 WeakPolarHBondContact CD-OH 3.34Å; P797-Y908 PolarHBondContact O-OH 3.14Å; V883-Y908 HydrophobicContact CB-CD1 3.97Å; V883-Y908 HydrophobicContact CB-CE1 4.25Å; V883-Y908 HydrophobicContact CB-CG 4.15Å; V883-Y908 HydrophobicContact CG1-CD1 3.75Å; V883-Y908 HydrophobicContact CG1-CD2 3.54Å; V883-Y908 HydrophobicContact CG1-CE1 3.86Å; V883-Y908 HydrophobicContact CG1-CE2 3.69Å; V883-Y908 HydrophobicContact CG1-CG 3.6Å; V883-Y908 HydrophobicContact CG2-CD1 4.34Å; V883-Y908 HydrophobicContact CG2-CE1 4.2Å; L887-Y908 HydrophobicContact CD1-CD2 4.01Å; M904-Y908 HydrophobicContact CE-CD2 4.32Å; M904-Y908 HydrophobicContact CE-CE2 3.59Å; M904-Y908 HydrophobicContact CG-CD2 3.96Å; M904-Y908 HydrophobicContact CG-CE2 3.71Å; M904-Y908 VanDerWaalsContact O-CD2 3.23Å; M904-Y908 WeakPolarHBondContact O-CD2 3.46Å; M904-Y908 PolarHBondContact O-N 2.99Å; R905-Y908 PolarHBondContact O-N 3.13Å; Y908-K910 VanDerWaalsContact C-N 3.33Å; Y908-E911 PolarHBondContact O-N 2.9Å; Y908-E911 VanDerWaalsContact O-N 3.16Å; Y908-L912 PolarHBondContact O-N 2.79Å
909	I	96.9	Very high	93.5	Very high	23 Å²	23	51.1 Å²	51.1	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-37.8	169	-69.7	172.6	0	0	0	111.2	L884 R905 V906 E911 R913 F930 F990	L884-I909 HydrophobicContact CD1-CG1 4.33Å; L884-I909 HydrophobicContact CD2-CG1 3.66Å; R905-I909 HydrophobicContact CG-CD1 4.18Å; R905-I909 VanDerWaalsContact O-CG1 3.28Å; R905-I909 WeakPolarHBondContact O-CG1 3.48Å; R905-I909 PolarHBondContact O-N 2.85Å; V906-I909 PolarHBondContact O-N 2.76Å; I909-E911 VanDerWaalsContact C-N 3.32Å; I909-R913 VanDerWaalsContact CG2-CZ 3.46Å; I909-R913 VanDerWaalsContact O-CG 3.29Å; I909-R913 WeakPolarHBondContact O-CG 3.22Å; I909-R913 PolarHBondContact O-N 2.93Å; I909-F930 HydrophobicContact CG2-CZ 4.26Å; I909-F990 HydrophobicContact CD1-CE1 3.82Å; I909-F990 HydrophobicContact CD1-CZ 4.44Å; I909-F990 HydrophobicContact CG1-CE1 3.94Å; I909-F990 HydrophobicContact CG1-CZ 4.42Å
910	K	95.1	Very high	92.8	Very high	102 Å²	102	48.5 Å²	48.5	44%	0.443	24%	0.242	S	C	.	.	H	α-helix	trans	-65	-37.1	171.8	-65.7	162.4	-163.6	158.7	0	111.1	V906 N907 Y908 R914	V906-K910 VanDerWaalsContact O-CG 3.31Å; V906-K910 WeakPolarHBondContact O-CG 3.49Å; V906-K910 PolarHBondContact O-N 2.99Å; N907-K910 WeakPolarHBondContact O-CB 3.44Å; N907-K910 PolarHBondContact O-N 3.27Å; N907-K910 PolarHBondContact OD1-NZ 3.41Å; Y908-K910 VanDerWaalsContact C-N 3.33Å; K910-R914 PolarHBondContact O-N 2.89Å
911	E	95	Very high	91.7	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.023	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-51	177.5	-158.5	60.4	-116.2	0	0	112.1	I747 C748 N907 Y908 I909 R913 R914 S915	I747-E911 HydrophobicContact CB-CG 4.22Å; I747-E911 WeakPolarHBondContact CB-OE2 3.3Å; I747-E911 HydrophobicContact CG2-CG 4.38Å; C748-E911 PolarHBondContact SG-OE1 3.08Å; C748-E911 VanDerWaalsContact SG-OE1 3.38Å; N907-E911 PolarHBondContact O-N 3.14Å; Y908-E911 PolarHBondContact O-N 2.9Å; Y908-E911 VanDerWaalsContact O-N 3.16Å; I909-E911 VanDerWaalsContact C-N 3.32Å; E911-R913 VanDerWaalsContact C-N 3.26Å; E911-R913 PolarHBondContact O-N 3.2Å; E911-R914 CarbonylContact O-C 3.51Å; E911-R914 WeakPolarHBondContact O-CA 3.14Å; E911-R914 WeakPolarHBondContact O-CB 3.35Å; E911-R914 PolarHBondContact O-N 2.97Å; E911-R914 IonicContact OE1-CZ 3.84Å; E911-R914 IonicContact OE1-NH1 2.67Å; E911-R914 PolarHBondContact OE1-NH1 2.69Å; E911-R914 IonicContact OE2-CZ 2.67Å; E911-R914 IonicContact OE2-NH1 3.68Å; E911-R914 PolarHBondContact OE2-NH1 2.87Å; E911-S915 PolarHBondContact O-N 3.42Å; E911-S915 PolarHBondContact O-OG 3.01Å
912	L	96.1	Very high	90.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-55.8	-41	176.1	-178.8	58.7	0	0	0	111.8	E877 M881 L884 Y908 R914 S915 V916 F930 L933 T934	E877-L912 HydrophobicContact CB-CD1 4.22Å; E877-L912 HydrophobicContact CG-CD1 4.27Å; M881-L912 HydrophobicContact CG-CD1 3.95Å; M881-L912 HydrophobicContact CG-CD2 4.05Å; L884-L912 HydrophobicContact CD1-CB 4.17Å; L884-L912 HydrophobicContact CD1-CD2 3.76Å; Y908-L912 PolarHBondContact O-N 2.79Å; L912-R914 VanDerWaalsContact C-N 3.32Å; L912-R914 PolarHBondContact O-N 3.09Å; L912-S915 PolarHBondContact O-N 3.44Å; L912-V916 HydrophobicContact CD1-CG2 4.24Å; L912-V916 WeakPolarHBondContact O-CB 3.48Å; L912-V916 VanDerWaalsContact O-CG2 3.26Å; L912-V916 WeakPolarHBondContact O-CG2 3.23Å; L912-V916 PolarHBondContact O-N 3.38Å; L912-F930 HydrophobicContact CB-CE2 4.28Å; L912-F930 HydrophobicContact CD2-CD2 4.28Å; L912-F930 HydrophobicContact CD2-CE2 3.87Å; L912-F930 HydrophobicContact CG-CD2 4.09Å; L912-F930 HydrophobicContact CG-CE2 3.94Å; L912-L933 HydrophobicContact CD1-CD1 3.93Å; L912-T934 HydrophobicContact CD2-CG2 4.26Å
913	R	94.3	Very high	89.2	Confident	138 Å²	138	59.3 Å²	59.3	52%	0.521	31%	0.307	S	S	.	.	H	α-helix	trans	-63.8	-34.5	174.2	-71.6	173.1	-176.1	161.5	3.2	113	I909 E911 G917 F930	I909-R913 VanDerWaalsContact CG2-CZ 3.46Å; I909-R913 VanDerWaalsContact O-CG 3.29Å; I909-R913 WeakPolarHBondContact O-CG 3.22Å; I909-R913 PolarHBondContact O-N 2.93Å; E911-R913 VanDerWaalsContact C-N 3.26Å; E911-R913 PolarHBondContact O-N 3.2Å; R913-G917 PolarHBondContact O-N 3.31Å; R913-F930 HydrophobicContact CG-CD2 3.55Å; R913-F930 HydrophobicContact CG-CE2 3.38Å; R913-F930 HydrophobicContact CG-CG 4.25Å; R913-F930 HydrophobicContact CG-CZ 3.95Å
914	R	91.7	Very high	88	Confident	132 Å²	132	55.3 Å²	55.3	50%	0.498	30%	0.3	S	S	.	.	H	α-helix	trans	-70.2	-45.6	175.3	-168	-171.7	-67.6	96.6	-11.4	110.7	K910 E911 L912 G917 K918	K910-R914 PolarHBondContact O-N 2.89Å; E911-R914 CarbonylContact O-C 3.51Å; E911-R914 WeakPolarHBondContact O-CA 3.14Å; E911-R914 WeakPolarHBondContact O-CB 3.35Å; E911-R914 PolarHBondContact O-N 2.97Å; E911-R914 IonicContact OE1-CZ 3.84Å; E911-R914 IonicContact OE1-NH1 2.67Å; E911-R914 PolarHBondContact OE1-NH1 2.69Å; E911-R914 IonicContact OE2-CZ 2.67Å; E911-R914 IonicContact OE2-NH1 3.68Å; E911-R914 PolarHBondContact OE2-NH1 2.87Å; L912-R914 VanDerWaalsContact C-N 3.32Å; L912-R914 PolarHBondContact O-N 3.09Å; R914-G917 CarbonylContact O-C 3.31Å; R914-G917 WeakPolarHBondContact O-CA 3.36Å; R914-G917 PolarHBondContact O-N 2.89Å; R914-G917 VanDerWaalsContact O-N 3.08Å; R914-K918 PolarHBondContact O-N 2.77Å
915	S	91.4	Very high	87.3	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.007	32%	0.32	C	S	.	.	H	α-helix	trans	-59.3	-50.1	177	-58.8	0	0	0	0	112	C748 E911 L912 G917 K918 A919	C748-S915 PolarHBondContact SG-OG 3.36Å; E911-S915 PolarHBondContact O-N 3.42Å; E911-S915 PolarHBondContact O-OG 3.01Å; L912-S915 PolarHBondContact O-N 3.44Å; S915-G917 PolarHBondContact O-N 2.89Å; S915-K918 WeakPolarHBondContact O-CB 3.44Å; S915-K918 PolarHBondContact O-N 3.01Å; S915-A919 PolarHBondContact O-N 3.19Å; S915-A919 VanDerWaalsContact O-N 3.11Å
916	V	92.9	Very high	86.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.6	-38.1	172.4	175.5	0	0	0	0	111.1	E877 L912 K918 A919 T920 T926 R929 F930 L933	E877-V916 HydrophobicContact CG-CG2 4.22Å; E877-V916 WeakPolarHBondContact OE1-CG2 3.38Å; L912-V916 HydrophobicContact CD1-CG2 4.24Å; L912-V916 WeakPolarHBondContact O-CB 3.48Å; L912-V916 VanDerWaalsContact O-CG2 3.26Å; L912-V916 WeakPolarHBondContact O-CG2 3.23Å; L912-V916 PolarHBondContact O-N 3.38Å; V916-K918 VanDerWaalsContact C-N 3.31Å; V916-K918 PolarHBondContact O-N 3.18Å; V916-A919 PolarHBondContact O-N 3.33Å; V916-A919 VanDerWaalsContact O-N 3.14Å; V916-T920 HydrophobicContact CG1-CG2 4.39Å; V916-T920 PolarHBondContact O-N 3.34Å; V916-T920 PolarHBondContact O-OG1 3.07Å; V916-T920 VanDerWaalsContact O-OG1 3.06Å; V916-T926 HydrophobicContact CG1-CG2 3.91Å; V916-T926 VanDerWaalsContact CG1-O 3.26Å; V916-T926 WeakPolarHBondContact CG1-O 3.42Å; V916-R929 HydrophobicContact CG1-CB 3.78Å; V916-R929 HydrophobicContact CG1-CG 3.93Å; V916-R929 HydrophobicContact CG2-CG 4.47Å; V916-F930 HydrophobicContact CG1-CB 4.32Å; V916-L933 HydrophobicContact CG2-CD1 3.64Å
917	G	88.1	Confident	86.6	Confident	39 Å²	39	65.4 Å²	65.4	40%	0.402	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-25.9	173.7	0	0	0	0	0	115.2	R913 R914 S915	R913-G917 PolarHBondContact O-N 3.31Å; R914-G917 CarbonylContact O-C 3.31Å; R914-G917 WeakPolarHBondContact O-CA 3.36Å; R914-G917 PolarHBondContact O-N 2.89Å; R914-G917 VanDerWaalsContact O-N 3.08Å; S915-G917 PolarHBondContact O-N 2.89Å
918	K	84.6	Confident	86.4	Confident	108 Å²	108	68.4 Å²	68.4	47%	0.47	35%	0.351	S	S	.	.	H	α-helix	trans	-73.9	-41.2	168.3	-57.2	173.7	-165.8	171.8	0	110.8	D876 R914 S915 V916	D876-K918 IonicContact OD1-NZ 2.73Å; D876-K918 WeakPolarHBondContact OD2-CD 3.44Å; D876-K918 WeakPolarHBondContact OD2-CE 3.34Å; D876-K918 IonicContact OD2-NZ 2.69Å; D876-K918 PolarHBondContact OD2-NZ 2.92Å; R914-K918 PolarHBondContact O-N 2.77Å; S915-K918 WeakPolarHBondContact O-CB 3.44Å; S915-K918 PolarHBondContact O-N 3.01Å; V916-K918 VanDerWaalsContact C-N 3.31Å; V916-K918 PolarHBondContact O-N 3.18Å
919	A	76.9	Confident	86.3	Confident	48 Å²	48	70.1 Å²	70.1	40%	0.397	36%	0.357	S	S	.	.	H	α-helix	trans	-72.9	-25.9	-175	0	0	0	0	0	113.9	S915 V916	S915-A919 PolarHBondContact O-N 3.19Å; S915-A919 VanDerWaalsContact O-N 3.11Å; V916-A919 PolarHBondContact O-N 3.33Å; V916-A919 VanDerWaalsContact O-N 3.14Å
920	T	80.9	Confident	86.3	Confident	16 Å²	16	70.2 Å²	70.2	10%	0.098	36%	0.357	C	S	.	.			trans	-114.8	120.2	-176.6	64.1	0	0	0	0	112.8	V916 N922 Q925 T926 R929	V916-T920 HydrophobicContact CG1-CG2 4.39Å; V916-T920 PolarHBondContact O-N 3.34Å; V916-T920 PolarHBondContact O-OG1 3.07Å; V916-T920 VanDerWaalsContact O-OG1 3.06Å; T920-N922 PolarHBondContact O-N 2.96Å; T920-Q925 HydrophobicContact CG2-CB 4.12Å; T920-T926 VanDerWaalsContact OG1-CA 3.27Å; T920-T926 WeakPolarHBondContact OG1-CA 3.47Å; T920-T926 WeakPolarHBondContact OG1-CB 3.28Å; T920-T926 PolarHBondContact OG1-N 3.42Å; T920-T926 PolarHBondContact OG1-OG1 3.27Å; T920-R929 HydrophobicContact CG2-CB 4.15Å
921	N	71.9	Confident	86.3	Confident	171 Å²	171	68.9 Å²	68.9	91%	0.914	35%	0.351	S	S	*	.	S	Bend	trans	-73.6	-0.4	177.5	-70.9	-45.4	0	0	0	114.7
922	N	72.3	Confident	86.3	Confident	90 Å²	90	72.5 Å²	72.5	48%	0.481	37%	0.368	S	S	.	.	S	Bend	trans	-142.4	129.5	-174.8	-177.2	-13.4	0	0	0	111.1	T920 G924 Q925 T926	T920-N922 PolarHBondContact O-N 2.96Å; N922-G924 PolarHBondContact O-N 3.49Å; N922-G924 VanDerWaalsContact O-N 3.17Å; N922-G924 PolarHBondContact OD1-N 3.14Å; N922-Q925 WeakPolarHBondContact O-CB 3.4Å; N922-Q925 PolarHBondContact O-N 3.2Å; N922-T926 PolarHBondContact O-N 2.94Å; N922-T926 PolarHBondContact O-OG1 3.1Å; N922-T926 VanDerWaalsContact O-OG1 3.07Å
923	S	67.6	Low	86.4	Confident	98 Å²	98	72.5 Å²	72.5	69%	0.685	37%	0.368	S	S	*	.	H	α-helix	trans	-57.7	-30.4	-176	54.4	0	0	0	0	114.6	T926 W927	S923-T926 WeakPolarHBondContact CA-OG1 3.25Å; S923-T926 WeakPolarHBondContact O-CB 3.44Å; S923-T926 PolarHBondContact O-N 3.15Å; S923-W927 PolarHBondContact O-N 3.49Å
924	G	71	Confident	86.5	Confident	42 Å²	42	66 Å²	66	43%	0.433	34%	0.344	S	S	.	.	H	α-helix	trans	-65.8	-38.8	174.4	0	0	0	0	0	112.7	N922 Q928	N922-G924 PolarHBondContact O-N 3.49Å; N922-G924 VanDerWaalsContact O-N 3.17Å; N922-G924 PolarHBondContact OD1-N 3.14Å; G924-Q928 WeakPolarHBondContact O-CG 3.37Å; G924-Q928 PolarHBondContact O-N 2.88Å
925	Q	81.3	Confident	86.7	Confident	102 Å²	102	65.8 Å²	65.8	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-74.3	-33.8	175.5	-67.4	172.5	-27.8	0	0	111.3	T920 N922 W927 Q928 R929	T920-Q925 HydrophobicContact CG2-CB 4.12Å; N922-Q925 WeakPolarHBondContact O-CB 3.4Å; N922-Q925 PolarHBondContact O-N 3.2Å; Q925-W927 VanDerWaalsContact C-N 3.34Å; Q925-W927 PolarHBondContact O-N 3.14Å; Q925-Q928 PolarHBondContact O-N 3.13Å; Q925-R929 WeakPolarHBondContact O-CB 3.27Å; Q925-R929 PolarHBondContact O-N 2.66Å
926	T	87.6	Confident	87	Confident	34 Å²	34	66.3 Å²	66.3	21%	0.209	35%	0.349	C	S	.	.	H	α-helix	trans	-55.6	-46.9	176.1	-43.4	0	0	0	0	111.9	V916 T920 N922 S923 F930	V916-T926 HydrophobicContact CG1-CG2 3.91Å; V916-T926 VanDerWaalsContact CG1-O 3.26Å; V916-T926 WeakPolarHBondContact CG1-O 3.42Å; T920-T926 VanDerWaalsContact OG1-CA 3.27Å; T920-T926 WeakPolarHBondContact OG1-CA 3.47Å; T920-T926 WeakPolarHBondContact OG1-CB 3.28Å; T920-T926 PolarHBondContact OG1-N 3.42Å; T920-T926 PolarHBondContact OG1-OG1 3.27Å; N922-T926 PolarHBondContact O-N 2.94Å; N922-T926 PolarHBondContact O-OG1 3.1Å; N922-T926 VanDerWaalsContact O-OG1 3.07Å; S923-T926 WeakPolarHBondContact CA-OG1 3.25Å; S923-T926 WeakPolarHBondContact O-CB 3.44Å; S923-T926 PolarHBondContact O-N 3.15Å; T926-F930 WeakPolarHBondContact O-CB 3.41Å; T926-F930 PolarHBondContact O-N 2.75Å
927	W	89.2	Confident	87.2	Confident	171 Å²	171	66.3 Å²	66.3	65%	0.648	35%	0.349	S	S	*	.	H	α-helix	trans	-68.2	-43.4	178.7	-179.8	82.9	0	0	0	112.2	S923 Q925 R929 F930 F931	S923-W927 PolarHBondContact O-N 3.49Å; Q925-W927 VanDerWaalsContact C-N 3.34Å; Q925-W927 PolarHBondContact O-N 3.14Å; W927-R929 PolarHBondContact O-N 3.34Å; W927-F930 PolarHBondContact O-N 3.08Å; W927-F931 WeakPolarHBondContact O-CB 3.49Å; W927-F931 PolarHBondContact O-N 3.39Å
928	Q	92.6	Very high	87.5	Confident	112 Å²	112	65.1 Å²	65.1	52%	0.523	33%	0.333	S	S	.	.	H	α-helix	trans	-61.1	-44.4	178.2	-72	177.6	-26.8	0	0	112.2	G924 Q925 F931 Q932	G924-Q928 WeakPolarHBondContact O-CG 3.37Å; G924-Q928 PolarHBondContact O-N 2.88Å; Q925-Q928 PolarHBondContact O-N 3.13Å; Q928-F931 PolarHBondContact O-N 3.16Å; Q928-Q932 VanDerWaalsContact O-CG 3.29Å; Q928-Q932 WeakPolarHBondContact O-CG 3.36Å; Q928-Q932 PolarHBondContact O-N 3.37Å
929	R	94.7	Very high	88	Confident	41 Å²	41	62.3 Å²	62.3	16%	0.155	33%	0.33	C	S	.	.	H	α-helix	trans	-67.4	-43.5	177.1	-175.3	171.5	-179.5	90.4	-1.1	111.3	L871 Q872 E877 V916 T920 Q925 W927 F931 Q932 L933	L871-R929 PolarHBondContact O-NH1 2.9Å; L871-R929 PolarHBondContact O-NH2 3.42Å; Q872-R929 PolarHBondContact O-NH2 2.8Å; E877-R929 IonicContact OE1-CZ 2.61Å; E877-R929 IonicContact OE1-NE 2.73Å; E877-R929 PolarHBondContact OE1-NE 2.77Å; E877-R929 IonicContact OE1-NH2 4Å; E877-R929 PolarHBondContact OE1-NH2 2.96Å; E877-R929 IonicContact OE2-CZ 2.78Å; E877-R929 IonicContact OE2-NE 3.17Å; E877-R929 IonicContact OE2-NH2 3.2Å; E877-R929 PolarHBondContact OE2-NH2 2.82Å; V916-R929 HydrophobicContact CG1-CB 3.78Å; V916-R929 HydrophobicContact CG1-CG 3.93Å; V916-R929 HydrophobicContact CG2-CG 4.47Å; T920-R929 HydrophobicContact CG2-CB 4.15Å; Q925-R929 WeakPolarHBondContact O-CB 3.27Å; Q925-R929 PolarHBondContact O-N 2.66Å; W927-R929 PolarHBondContact O-N 3.34Å; R929-F931 VanDerWaalsContact C-N 3.34Å; R929-F931 PolarHBondContact O-N 3.21Å; R929-Q932 PolarHBondContact O-N 3.2Å; R929-L933 WeakPolarHBondContact O-CG 3.26Å; R929-L933 PolarHBondContact O-N 3.39Å
930	F	96.2	Very high	88.9	Confident	24 Å²	24	60 Å²	60	11%	0.105	31%	0.311	C	S	.	.	H	α-helix	trans	-57.5	-46.7	175	-179.8	-95.8	0	0	0	111.6	I909 L912 R913 V916 T926 W927 Q932 L933 T934	I909-F930 HydrophobicContact CG2-CZ 4.26Å; L912-F930 HydrophobicContact CB-CE2 4.28Å; L912-F930 HydrophobicContact CD2-CD2 4.28Å; L912-F930 HydrophobicContact CD2-CE2 3.87Å; L912-F930 HydrophobicContact CG-CD2 4.09Å; L912-F930 HydrophobicContact CG-CE2 3.94Å; R913-F930 HydrophobicContact CG-CD2 3.55Å; R913-F930 HydrophobicContact CG-CE2 3.38Å; R913-F930 HydrophobicContact CG-CG 4.25Å; R913-F930 HydrophobicContact CG-CZ 3.95Å; V916-F930 HydrophobicContact CG1-CB 4.32Å; T926-F930 WeakPolarHBondContact O-CB 3.41Å; T926-F930 PolarHBondContact O-N 2.75Å; W927-F930 PolarHBondContact O-N 3.08Å; F930-Q932 PolarHBondContact O-N 3.08Å; F930-L933 PolarHBondContact O-N 2.98Å; F930-T934 HydrophobicContact CD1-CG2 4.34Å; F930-T934 HydrophobicContact CE1-CG2 3.78Å; F930-T934 HydrophobicContact CE2-CG2 4Å; F930-T934 HydrophobicContact CZ-CG2 3.58Å; F930-T934 PolarHBondContact O-N 2.9Å; F930-T934 PolarHBondContact O-OG1 3.48Å; F930-T934 VanDerWaalsContact O-OG1 3.06Å
931	F	95.6	Very high	89.5	Confident	75 Å²	75	60 Å²	60	33%	0.329	31%	0.31	S	S	.	.	H	α-helix	trans	-60.6	-41.6	175.8	174.6	-96.7	0	0	0	112.9	W927 Q928 R929 T934 K935 H991	W927-F931 WeakPolarHBondContact O-CB 3.49Å; W927-F931 PolarHBondContact O-N 3.39Å; Q928-F931 PolarHBondContact O-N 3.16Å; R929-F931 VanDerWaalsContact C-N 3.34Å; R929-F931 PolarHBondContact O-N 3.21Å; F931-T934 PolarHBondContact O-OG1 2.89Å; F931-K935 HydrophobicContact CE1-CD 4.42Å; F931-K935 HydrophobicContact CZ-CD 4.5Å; F931-K935 WeakPolarHBondContact O-CB 3.48Å; F931-K935 PolarHBondContact O-N 2.99Å; F931-H991 AromaticContact CD2-CD2 3.85Å; F931-H991 AromaticContact CD2-CE1 3.77Å; F931-H991 AromaticContact CD2-NE2 3.22Å; F931-H991 WeakPolarHBondContact CD2-NE2 3.43Å; F931-H991 AromaticContact CE2-CD2 3.67Å; F931-H991 AromaticContact CE2-CE1 3.83Å; F931-H991 AromaticContact CE2-NE2 3.46Å; F931-H991 WeakPolarHBondContact CE2-NE2 3.16Å
932	Q	96.4	Very high	90.4	Very high	81 Å²	81	55.6 Å²	55.6	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-42.9	175.7	-75.6	169.8	-5.7	0	0	112	L871 Q928 R929 F930 L936	L871-Q932 HydrophobicContact CD2-CB 3.82Å; L871-Q932 HydrophobicContact CD2-CG 4.29Å; Q928-Q932 VanDerWaalsContact O-CG 3.29Å; Q928-Q932 WeakPolarHBondContact O-CG 3.36Å; Q928-Q932 PolarHBondContact O-N 3.37Å; R929-Q932 PolarHBondContact O-N 3.2Å; F930-Q932 PolarHBondContact O-N 3.08Å; Q932-L936 PolarHBondContact O-N 3.36Å; Q932-L936 VanDerWaalsContact O-N 3.13Å
933	L	97.4	Very high	91.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.9	-45.4	177.5	-64.6	-173.8	0	0	0	111.9	L871 L873 E877 M881 L912 V916 R929 F930 K935 L936 L937	L871-L933 HydrophobicContact CD1-CD2 4.28Å; L873-L933 HydrophobicContact CD1-CD1 4.44Å; L873-L933 HydrophobicContact CD1-CD2 3.68Å; E877-L933 HydrophobicContact CB-CD1 3.95Å; E877-L933 HydrophobicContact CG-CD1 3.84Å; M881-L933 HydrophobicContact CE-CB 4.23Å; M881-L933 HydrophobicContact CE-CD2 4.4Å; M881-L933 WeakPolarHBondContact CE-O 3.28Å; M881-L933 HydrophobicContact SD-CB 3.88Å; M881-L933 HydrophobicContact SD-CD1 4.09Å; M881-L933 HydrophobicContact SD-CD2 3.9Å; M881-L933 HydrophobicContact SD-CG 4.17Å; L912-L933 HydrophobicContact CD1-CD1 3.93Å; V916-L933 HydrophobicContact CG2-CD1 3.64Å; R929-L933 WeakPolarHBondContact O-CG 3.26Å; R929-L933 PolarHBondContact O-N 3.39Å; F930-L933 PolarHBondContact O-N 2.98Å; L933-K935 VanDerWaalsContact C-N 3.31Å; L933-K935 PolarHBondContact O-N 3.37Å; L933-L936 WeakPolarHBondContact O-CB 3.4Å; L933-L936 PolarHBondContact O-N 3.46Å; L933-L936 VanDerWaalsContact O-N 3.16Å; L933-L937 PolarHBondContact O-N 3.36Å; L933-L937 VanDerWaalsContact O-N 3.13Å
934	T	96.8	Very high	92.8	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-68.7	-29.3	177.3	51.7	0	0	0	0	112.7	L912 F930 F931 L936 L937 D938 F990 H991	L912-T934 HydrophobicContact CD2-CG2 4.26Å; F930-T934 HydrophobicContact CD1-CG2 4.34Å; F930-T934 HydrophobicContact CE1-CG2 3.78Å; F930-T934 HydrophobicContact CE2-CG2 4Å; F930-T934 HydrophobicContact CZ-CG2 3.58Å; F930-T934 PolarHBondContact O-N 2.9Å; F930-T934 PolarHBondContact O-OG1 3.48Å; F930-T934 VanDerWaalsContact O-OG1 3.06Å; F931-T934 PolarHBondContact O-OG1 2.89Å; T934-L936 VanDerWaalsContact C-N 3.31Å; T934-L937 HydrophobicContact CG2-CD1 4.41Å; T934-L937 WeakPolarHBondContact O-CB 3.46Å; T934-L937 PolarHBondContact O-N 3.03Å; T934-D938 PolarHBondContact O-N 2.97Å; T934-D938 VanDerWaalsContact O-N 3.07Å; T934-F990 HydrophobicContact CG2-CB 4.32Å; T934-F990 HydrophobicContact CG2-CD1 3.53Å; T934-F990 HydrophobicContact CG2-CD2 4.34Å; T934-F990 HydrophobicContact CG2-CE1 3.87Å; T934-F990 HydrophobicContact CG2-CG 3.79Å; T934-F990 HydrophobicContact CG2-CZ 4.41Å; T934-H991 PolarHBondContact OG1-CE1 3.48Å; T934-H991 PolarHBondContact OG1-NE2 2.91Å
935	K	96.3	Very high	93.8	Very high	128 Å²	128	47.5 Å²	47.5	56%	0.557	23%	0.232	S	C	*	.	H	α-helix	trans	-67.9	-32.5	172.1	-177	175.6	178.6	-178.5	0	111.7	F931 L933 D938 A939 H991	F931-K935 HydrophobicContact CE1-CD 4.42Å; F931-K935 HydrophobicContact CZ-CD 4.5Å; F931-K935 WeakPolarHBondContact O-CB 3.48Å; F931-K935 PolarHBondContact O-N 2.99Å; L933-K935 VanDerWaalsContact C-N 3.31Å; L933-K935 PolarHBondContact O-N 3.37Å; K935-D938 PolarHBondContact O-N 2.92Å; K935-A939 WeakPolarHBondContact O-CB 3.33Å; K935-A939 PolarHBondContact O-N 3.11Å; K935-H991 PolarHBondContact N-CE1 3.03Å
936	L	96.9	Very high	94.5	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-68.9	-36	173	-174.4	56.9	0	0	0	111.7	E867 F868 L871 M881 Q932 L933 T934 A939 M940	E867-L936 HydrophobicContact CB-CD1 4.06Å; E867-L936 HydrophobicContact CB-CD2 4.25Å; E867-L936 HydrophobicContact CG-CD1 4.42Å; F868-L936 HydrophobicContact CD1-CD2 3.8Å; F868-L936 HydrophobicContact CE1-CD2 3.77Å; L871-L936 HydrophobicContact CD1-CD2 3.83Å; M881-L936 HydrophobicContact CE-CB 4.4Å; M881-L936 HydrophobicContact CE-CD2 4.37Å; Q932-L936 PolarHBondContact O-N 3.36Å; Q932-L936 VanDerWaalsContact O-N 3.13Å; L933-L936 WeakPolarHBondContact O-CB 3.4Å; L933-L936 PolarHBondContact O-N 3.46Å; L933-L936 VanDerWaalsContact O-N 3.16Å; T934-L936 VanDerWaalsContact C-N 3.31Å; L936-A939 PolarHBondContact O-N 2.79Å; L936-M940 WeakPolarHBondContact O-CG 3.33Å; L936-M940 PolarHBondContact O-N 3.44Å
937	L	96.9	Very high	94.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-44.7	170.3	-59.6	176.5	0	0	0	111.5	M881 L884 L885 L933 T934 A939 M940 H941 F990	M881-L937 HydrophobicContact CB-CD2 3.89Å; M881-L937 HydrophobicContact CE-CD2 3.67Å; M881-L937 HydrophobicContact CE-CG 3.97Å; M881-L937 HydrophobicContact CG-CD1 4.4Å; M881-L937 HydrophobicContact CG-CD2 4.06Å; M881-L937 HydrophobicContact CG-CG 4.48Å; L884-L937 HydrophobicContact CB-CD1 4.16Å; L884-L937 HydrophobicContact CD1-CD1 4.3Å; L885-L937 HydrophobicContact CD1-CD2 4.14Å; L885-L937 HydrophobicContact CD2-CB 4.25Å; L885-L937 HydrophobicContact CD2-CD2 3.63Å; L885-L937 HydrophobicContact CG-CD2 3.76Å; L933-L937 PolarHBondContact O-N 3.36Å; L933-L937 VanDerWaalsContact O-N 3.13Å; T934-L937 HydrophobicContact CG2-CD1 4.41Å; T934-L937 WeakPolarHBondContact O-CB 3.46Å; T934-L937 PolarHBondContact O-N 3.03Å; L937-A939 VanDerWaalsContact C-N 3.34Å; L937-A939 PolarHBondContact O-N 2.93Å; L937-M940 WeakPolarHBondContact O-CB 3.42Å; L937-M940 PolarHBondContact O-N 3.24Å; L937-H941 PolarHBondContact O-CD2 3.25Å; L937-F990 HydrophobicContact CB-CD2 4.09Å; L937-F990 HydrophobicContact CB-CE2 4.06Å; L937-F990 HydrophobicContact CD1-CD2 4.01Å; L937-F990 HydrophobicContact CD1-CE2 3.38Å; L937-F990 HydrophobicContact CD1-CZ 3.8Å; L937-F990 HydrophobicContact CG-CE2 4.35Å
938	D	95.7	Very high	95.1	Very high	14 Å²	14	38.9 Å²	38.9	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-41.2	177.1	-66.1	-27	0	0	0	112.1	T934 K935 M940 H941 Y989 F990 H991	T934-D938 PolarHBondContact O-N 2.97Å; T934-D938 VanDerWaalsContact O-N 3.07Å; K935-D938 PolarHBondContact O-N 2.92Å; D938-M940 VanDerWaalsContact C-N 3.35Å; D938-M940 PolarHBondContact O-N 2.89Å; D938-H941 PolarHBondContact O-N 3.21Å; D938-Y989 HydrophobicContact CB-CD1 3.96Å; D938-Y989 VanDerWaalsContact OD1-CA 3.31Å; D938-Y989 WeakPolarHBondContact OD1-CA 3.25Å; D938-F990 PolarHBondContact OD1-N 2.9Å; D938-H991 IonicContact OD2-CE1 2.84Å; D938-H991 IonicContact OD2-CG 2.8Å; D938-H991 PolarHBondContact OD2-N 2.63Å; D938-H991 VanDerWaalsContact OD2-N 3.14Å; D938-H991 IonicContact OD2-ND1 3.34Å; D938-H991 PolarHBondContact OD2-ND1 2.78Å
939	A	94.2	Very high	95.1	Very high	49 Å²	49	38.1 Å²	38.1	41%	0.405	20%	0.2	S	C	.	.	H	α-helix	trans	-69.8	-26.9	178.4	0	0	0	0	0	113.7	K935 L936 L937 H941 D942 L943	K935-A939 WeakPolarHBondContact O-CB 3.33Å; K935-A939 PolarHBondContact O-N 3.11Å; L936-A939 PolarHBondContact O-N 2.79Å; L937-A939 VanDerWaalsContact C-N 3.34Å; L937-A939 PolarHBondContact O-N 2.93Å; A939-H941 PolarHBondContact O-N 2.87Å; A939-D942 PolarHBondContact O-N 2.8Å; A939-L943 PolarHBondContact O-N 2.84Å
940	M	95.4	Very high	95.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-36.1	172.7	-77.2	-63.2	-56.6	0	0	111.7	F821 V864 L885 L936 L937 D938 D942 L943 V944	F821-M940 HydrophobicContact CB-CE 4.06Å; F821-M940 HydrophobicContact CD2-CE 4.37Å; F821-M940 HydrophobicContact CD2-CG 4.18Å; F821-M940 HydrophobicContact CD2-SD 4.1Å; V864-M940 HydrophobicContact CB-SD 4.3Å; V864-M940 HydrophobicContact CG1-SD 3.53Å; V864-M940 VanDerWaalsContact CG1-SD 3.53Å; V864-M940 HydrophobicContact CG2-SD 3.8Å; L885-M940 HydrophobicContact CD1-CG 4.45Å; L936-M940 WeakPolarHBondContact O-CG 3.33Å; L936-M940 PolarHBondContact O-N 3.44Å; L937-M940 WeakPolarHBondContact O-CB 3.42Å; L937-M940 PolarHBondContact O-N 3.24Å; D938-M940 VanDerWaalsContact C-N 3.35Å; D938-M940 PolarHBondContact O-N 2.89Å; M940-D942 VanDerWaalsContact C-N 3.34Å; M940-D942 PolarHBondContact O-N 2.64Å; M940-L943 PolarHBondContact O-N 3.37Å; M940-V944 HydrophobicContact CE-CG2 4.28Å; M940-V944 VanDerWaalsContact O-CB 3.31Å; M940-V944 WeakPolarHBondContact O-CB 3.29Å; M940-V944 WeakPolarHBondContact O-CG2 3.26Å; M940-V944 PolarHBondContact O-N 2.9Å
941	H	93.7	Very high	95.1	Very high	15 Å²	15	37.1 Å²	37.1	7%	0.069	20%	0.198	C	C	.	.	H	α-helix	trans	-66.7	-34.4	-177.3	-64.6	-49.9	0	0	0	113.1	S888 L937 D938 A939 V944 G945 T987 Y989	S888-H941 VanDerWaalsContact CB-CE1 3.47Å; S888-H941 WeakPolarHBondContact CB-CE1 3.44Å; S888-H941 PolarHBondContact OG-CE1 3.2Å; S888-H941 VanDerWaalsContact OG-CE1 3.22Å; L937-H941 PolarHBondContact O-CD2 3.25Å; D938-H941 PolarHBondContact O-N 3.21Å; A939-H941 PolarHBondContact O-N 2.87Å; H941-V944 PolarHBondContact O-N 3.34Å; H941-G945 PolarHBondContact O-N 2.74Å; H941-T987 HydrophobicContact CB-CG2 4.06Å; H941-T987 VanDerWaalsContact CD2-CG2 3.48Å; H941-T987 WeakPolarHBondContact CD2-CG2 3.2Å; H941-T987 VanDerWaalsContact CG-CG2 3.47Å; H941-Y989 HydrophobicContact CB-CE1 4Å
942	D	91.9	Very high	95	Very high	79 Å²	79	34 Å²	34	42%	0.422	18%	0.184	S	C	.	.	H	α-helix	trans	-70.7	-38.8	177.1	-67.6	-42.4	0	0	0	111.6	A939 M940 N946 K993	A939-D942 PolarHBondContact O-N 2.8Å; M940-D942 VanDerWaalsContact C-N 3.34Å; M940-D942 PolarHBondContact O-N 2.64Å; D942-N946 PolarHBondContact O-ND2 3.23Å; D942-K993 IonicContact OD1-NZ 3.7Å; D942-K993 PolarHBondContact OD1-NZ 2.91Å; D942-K993 WeakPolarHBondContact OD2-CE 3.48Å; D942-K993 IonicContact OD2-NZ 3.63Å; D942-K993 PolarHBondContact OD2-NZ 3.12Å
943	L	94.4	Very high	94.9	Very high	22 Å²	22	36.2 Å²	36.2	12%	0.115	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-42.5	170.5	174.8	60.7	0	0	0	111.8	M861 V864 A939 M940 N946 L947	M861-L943 HydrophobicContact CG-CD1 4.5Å; M861-L943 HydrophobicContact CG-CD2 4.04Å; V864-L943 HydrophobicContact CG2-CD2 3.65Å; A939-L943 PolarHBondContact O-N 2.84Å; M940-L943 PolarHBondContact O-N 3.37Å; L943-N946 PolarHBondContact O-N 3.48Å; L943-L947 HydrophobicContact CD1-CD1 4.2Å; L943-L947 HydrophobicContact CD1-CG 4.39Å; L943-L947 HydrophobicContact CG-CD1 3.91Å; L943-L947 WeakPolarHBondContact O-CG 3.46Å; L943-L947 PolarHBondContact O-N 3.22Å; L943-L947 VanDerWaalsContact O-N 3.08Å
944	V	94.3	Very high	94.8	Very high	10 Å²	10	36.5 Å²	36.5	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-70.2	-31.4	-175.7	168	0	0	0	0	112.7	M816 C817 M940 H941 L947 L948	M816-V944 HydrophobicContact CB-CG1 4.02Å; M816-V944 HydrophobicContact CG-CG1 4Å; C817-V944 HydrophobicContact CB-CG1 4.17Å; C817-V944 HydrophobicContact CB-CG2 3.88Å; M940-V944 HydrophobicContact CE-CG2 4.28Å; M940-V944 VanDerWaalsContact O-CB 3.31Å; M940-V944 WeakPolarHBondContact O-CB 3.29Å; M940-V944 WeakPolarHBondContact O-CG2 3.26Å; M940-V944 PolarHBondContact O-N 2.9Å; H941-V944 PolarHBondContact O-N 3.34Å; V944-L947 PolarHBondContact O-N 3.14Å; V944-L948 HydrophobicContact CG1-CD1 3.99Å; V944-L948 HydrophobicContact CG1-CG 4.28Å; V944-L948 WeakPolarHBondContact O-CB 3.27Å; V944-L948 WeakPolarHBondContact O-CG 3.25Å; V944-L948 PolarHBondContact O-N 2.96Å
945	G	93.1	Very high	94.7	Very high	27 Å²	27	38.1 Å²	38.1	28%	0.278	20%	0.199	S	C	.	.	H	α-helix	trans	-56.2	-57.4	169.6	0	0	0	0	0	111.3	H941 L947 L948 D949	H941-G945 PolarHBondContact O-N 2.74Å; G945-L947 VanDerWaalsContact C-N 3.25Å; G945-L947 PolarHBondContact O-N 3.25Å; G945-L948 PolarHBondContact O-N 3.13Å; G945-D949 VanDerWaalsContact O-CG 3.28Å; G945-D949 PolarHBondContact O-N 3.32Å
946	N	94.7	Very high	94.6	Very high	97 Å²	97	39.3 Å²	39.3	52%	0.519	20%	0.2	S	C	.	.	H	α-helix	trans	-57.6	-35	178.2	-68.6	-90.1	0	0	0	113.2	L857 D942 L943 F950	L857-N946 HydrophobicContact CD2-CB 3.72Å; D942-N946 PolarHBondContact O-ND2 3.23Å; L943-N946 PolarHBondContact O-N 3.48Å; N946-F950 WeakPolarHBondContact O-CB 3.47Å; N946-F950 PolarHBondContact O-N 3.21Å; N946-F950 VanDerWaalsContact O-N 3.16Å
947	L	95.3	Very high	94.4	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-70.3	-38.2	174.3	-75.1	167.3	0	0	0	113	M816 S820 L857 M861 L943 V944 G945 C951	M816-L947 HydrophobicContact CE-CB 4.34Å; M816-L947 HydrophobicContact CG-CB 3.85Å; M816-L947 HydrophobicContact CG-CD1 4.45Å; M816-L947 HydrophobicContact SD-CB 3.94Å; M816-L947 HydrophobicContact SD-CD1 4.41Å; S820-L947 VanDerWaalsContact OG-CD1 3.26Å; S820-L947 WeakPolarHBondContact OG-CD1 3.41Å; L857-L947 HydrophobicContact CB-CD2 3.87Å; L857-L947 HydrophobicContact CD1-CD2 4.25Å; L857-L947 HydrophobicContact CD2-CD2 4.22Å; L857-L947 HydrophobicContact CD2-CG 4.36Å; L857-L947 HydrophobicContact CG-CD2 4.33Å; M861-L947 HydrophobicContact CE-CD2 4.14Å; M861-L947 HydrophobicContact CG-CD1 4.19Å; M861-L947 HydrophobicContact SD-CD1 4.07Å; M861-L947 HydrophobicContact SD-CD2 4Å; L943-L947 HydrophobicContact CD1-CD1 4.2Å; L943-L947 HydrophobicContact CD1-CG 4.39Å; L943-L947 HydrophobicContact CG-CD1 3.91Å; L943-L947 WeakPolarHBondContact O-CG 3.46Å; L943-L947 PolarHBondContact O-N 3.22Å; L943-L947 VanDerWaalsContact O-N 3.08Å; V944-L947 PolarHBondContact O-N 3.14Å; G945-L947 VanDerWaalsContact C-N 3.25Å; G945-L947 PolarHBondContact O-N 3.25Å; L947-C951 VanDerWaalsContact O-CB 3.23Å; L947-C951 WeakPolarHBondContact O-CB 3.2Å; L947-C951 PolarHBondContact O-N 2.83Å
948	L	94.1	Very high	94.2	Very high	20 Å²	20	44.1 Å²	44.1	11%	0.105	23%	0.225	C	C	.	.	H	α-helix	trans	-68.5	-44.2	175.2	-74.7	170.6	0	0	0	111	W815 M816 V944 G945 F950 C951 F952	W815-L948 HydrophobicContact CZ2-CD2 4.29Å; M816-L948 HydrophobicContact CB-CD2 3.77Å; M816-L948 HydrophobicContact CB-CG 4.11Å; M816-L948 HydrophobicContact CE-CD2 4.31Å; M816-L948 HydrophobicContact CG-CD2 4.14Å; M816-L948 HydrophobicContact CG-CG 4.14Å; V944-L948 HydrophobicContact CG1-CD1 3.99Å; V944-L948 HydrophobicContact CG1-CG 4.28Å; V944-L948 WeakPolarHBondContact O-CB 3.27Å; V944-L948 WeakPolarHBondContact O-CG 3.25Å; V944-L948 PolarHBondContact O-N 2.96Å; G945-L948 PolarHBondContact O-N 3.13Å; L948-F950 VanDerWaalsContact C-N 3.33Å; L948-F950 PolarHBondContact O-N 3.08Å; L948-C951 CarbonylContact O-C 3.57Å; L948-C951 WeakPolarHBondContact O-CA 3.48Å; L948-C951 WeakPolarHBondContact O-CB 3.25Å; L948-C951 PolarHBondContact O-N 3.26Å; L948-C951 VanDerWaalsContact O-N 3.08Å; L948-F952 HydrophobicContact CB-CE2 4.19Å; L948-F952 HydrophobicContact CB-CZ 4.2Å; L948-F952 HydrophobicContact CD2-CE1 4.3Å; L948-F952 HydrophobicContact CD2-CZ 4.18Å; L948-F952 WeakPolarHBondContact O-CB 3.45Å; L948-F952 WeakPolarHBondContact O-CD1 3.38Å; L948-F952 WeakPolarHBondContact O-CD2 3.49Å; L948-F952 WeakPolarHBondContact O-CG 3.23Å; L948-F952 PolarHBondContact O-N 2.95Å
949	D	94.1	Very high	94	Very high	97 Å²	97	52.2 Å²	52.2	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-58.5	-44.8	177.1	-62.3	-32.3	0	0	0	111.3	G945 F952 Y953	G945-D949 VanDerWaalsContact O-CG 3.28Å; G945-D949 PolarHBondContact O-N 3.32Å; D949-F952 PolarHBondContact O-N 3.34Å; D949-Y953 WeakPolarHBondContact O-CB 3.39Å; D949-Y953 PolarHBondContact O-N 3.39Å
950	F	95.1	Very high	93.8	Very high	37 Å²	37	53.5 Å²	53.5	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-38.2	173.9	-179.4	-91	0	0	0	112.9	L775 A853 M854 L857 N946 L948 Y953 T954	L775-F950 HydrophobicContact CD1-CZ 4.5Å; L775-F950 HydrophobicContact CD2-CE1 3.9Å; L775-F950 HydrophobicContact CD2-CZ 4.15Å; A853-F950 HydrophobicContact CB-CZ 4.42Å; A853-F950 WeakPolarHBondContact O-CE2 3.18Å; M854-F950 HydrophobicContact CB-CE1 4.02Å; M854-F950 HydrophobicContact CB-CE2 4.48Å; M854-F950 HydrophobicContact CB-CZ 3.93Å; M854-F950 HydrophobicContact CE-CD1 4.27Å; M854-F950 HydrophobicContact CE-CE1 3.76Å; L857-F950 HydrophobicContact CD1-CB 3.52Å; L857-F950 HydrophobicContact CD1-CD1 3.84Å; L857-F950 HydrophobicContact CD1-CD2 3.78Å; L857-F950 HydrophobicContact CD1-CE2 4.46Å; L857-F950 HydrophobicContact CD1-CG 3.43Å; L857-F950 VanDerWaalsContact CD1-CG 3.43Å; N946-F950 WeakPolarHBondContact O-CB 3.47Å; N946-F950 PolarHBondContact O-N 3.21Å; N946-F950 VanDerWaalsContact O-N 3.16Å; L948-F950 VanDerWaalsContact C-N 3.33Å; L948-F950 PolarHBondContact O-N 3.08Å; F950-Y953 PolarHBondContact O-N 3.09Å; F950-T954 HydrophobicContact CD1-CG2 4.13Å; F950-T954 HydrophobicContact CE1-CG2 3.64Å; F950-T954 HydrophobicContact CE2-CG2 4.08Å; F950-T954 HydrophobicContact CZ-CG2 3.62Å; F950-T954 WeakPolarHBondContact O-CB 3.43Å; F950-T954 WeakPolarHBondContact O-CG2 3.45Å; F950-T954 PolarHBondContact O-N 2.9Å; F950-T954 PolarHBondContact O-OG1 3.35Å
951	C	94.8	Very high	93.6	Very high	7 Å²	7	56.4 Å²	56.4	5%	0.047	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-42.2	175.5	-169.8	0	0	0	0	111.3	M816 L947 L948 T954 F955	M816-C951 HydrophobicContact CE-CB 3.83Å; L947-C951 VanDerWaalsContact O-CB 3.23Å; L947-C951 WeakPolarHBondContact O-CB 3.2Å; L947-C951 PolarHBondContact O-N 2.83Å; L948-C951 CarbonylContact O-C 3.57Å; L948-C951 WeakPolarHBondContact O-CA 3.48Å; L948-C951 WeakPolarHBondContact O-CB 3.25Å; L948-C951 PolarHBondContact O-N 3.26Å; L948-C951 VanDerWaalsContact O-N 3.08Å; C951-T954 PolarHBondContact O-OG1 3.41Å; C951-F955 WeakPolarHBondContact O-CB 3.45Å; C951-F955 PolarHBondContact O-N 3.22Å
952	F	94.4	Very high	93.5	Very high	8 Å²	8	63.2 Å²	63.2	4%	0.035	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-40.4	176.9	-60.2	-20.5	0	0	0	111.9	L948 D949 R956 I973 Q976 I977 V980	L948-F952 HydrophobicContact CB-CE2 4.19Å; L948-F952 HydrophobicContact CB-CZ 4.2Å; L948-F952 HydrophobicContact CD2-CE1 4.3Å; L948-F952 HydrophobicContact CD2-CZ 4.18Å; L948-F952 WeakPolarHBondContact O-CB 3.45Å; L948-F952 WeakPolarHBondContact O-CD1 3.38Å; L948-F952 WeakPolarHBondContact O-CD2 3.49Å; L948-F952 WeakPolarHBondContact O-CG 3.23Å; L948-F952 PolarHBondContact O-N 2.95Å; D949-F952 PolarHBondContact O-N 3.34Å; F952-R956 WeakPolarHBondContact O-CB 3.38Å; F952-R956 WeakPolarHBondContact O-CD 3.2Å; F952-R956 WeakPolarHBondContact O-CG 3.41Å; F952-R956 PolarHBondContact O-N 2.88Å; F952-I973 HydrophobicContact CD1-CG2 3.89Å; F952-I973 HydrophobicContact CE1-CG2 4.17Å; F952-Q976 HydrophobicContact CZ-CB 4.45Å; F952-I977 HydrophobicContact CB-CD1 4.23Å; F952-I977 HydrophobicContact CB-CG1 4.12Å; F952-I977 HydrophobicContact CD1-CD1 3.99Å; F952-I977 HydrophobicContact CD1-CG1 3.45Å; F952-I977 VanDerWaalsContact CD1-CG1 3.45Å; F952-I977 HydrophobicContact CD2-CG1 4.1Å; F952-I977 HydrophobicContact CE1-CG1 3.76Å; F952-I977 HydrophobicContact CE2-CG1 4.37Å; F952-I977 HydrophobicContact CG-CD1 4.21Å; F952-I977 HydrophobicContact CG-CG1 3.63Å; F952-I977 HydrophobicContact CZ-CG1 4.21Å; F952-V980 HydrophobicContact CE2-CB 3.99Å; F952-V980 HydrophobicContact CE2-CG1 3.98Å; F952-V980 HydrophobicContact CE2-CG2 4.35Å; F952-V980 HydrophobicContact CZ-CB 4.38Å; F952-V980 HydrophobicContact CZ-CG2 4.27Å
953	Y	94.4	Very high	93.6	Very high	128 Å²	128	59.9 Å²	59.9	50%	0.502	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-52.8	172.4	173.3	-107.1	0	0	0	111.8	D949 F950 F955 R956 E957 L961	D949-Y953 WeakPolarHBondContact O-CB 3.39Å; D949-Y953 PolarHBondContact O-N 3.39Å; F950-Y953 PolarHBondContact O-N 3.09Å; Y953-F955 VanDerWaalsContact C-N 3.28Å; Y953-F955 PolarHBondContact O-N 3.49Å; Y953-R956 PolarHBondContact O-N 2.92Å; Y953-E957 HydrophobicContact CD2-CG 4.08Å; Y953-E957 HydrophobicContact CE2-CG 3.59Å; Y953-E957 PolarHBondContact O-N 3.26Å; Y953-L961 HydrophobicContact CE1-CD1 4.31Å
954	T	94.4	Very high	93.5	Very high	6 Å²	6	65.1 Å²	65.1	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-67.4	-26.3	-179.6	50.8	0	0	0	0	113.6	L775 F950 C951 S958 L961 F965	L775-T954 HydrophobicContact CD1-CG2 4.36Å; F950-T954 HydrophobicContact CD1-CG2 4.13Å; F950-T954 HydrophobicContact CE1-CG2 3.64Å; F950-T954 HydrophobicContact CE2-CG2 4.08Å; F950-T954 HydrophobicContact CZ-CG2 3.62Å; F950-T954 WeakPolarHBondContact O-CB 3.43Å; F950-T954 WeakPolarHBondContact O-CG2 3.45Å; F950-T954 PolarHBondContact O-N 2.9Å; F950-T954 PolarHBondContact O-OG1 3.35Å; C951-T954 PolarHBondContact O-OG1 3.41Å; T954-S958 VanDerWaalsContact O-CA 3.25Å; T954-S958 WeakPolarHBondContact O-CA 3.49Å; T954-S958 PolarHBondContact O-N 3.36Å; T954-S958 VanDerWaalsContact O-N 3.1Å; T954-L961 HydrophobicContact CG2-CD1 3.93Å; T954-F965 WeakPolarHBondContact O-CE2 3.3Å
955	F	95.1	Very high	93.6	Very high	35 Å²	35	66.1 Å²	66.1	15%	0.154	33%	0.328	C	S	.	.	H	α-helix	trans	-70.4	-47.8	170.5	178.5	-104.3	0	0	0	112.1	C951 Y953 E957 S958 F965 V970 I973 S974 I977	C951-F955 WeakPolarHBondContact O-CB 3.45Å; C951-F955 PolarHBondContact O-N 3.22Å; Y953-F955 VanDerWaalsContact C-N 3.28Å; Y953-F955 PolarHBondContact O-N 3.49Å; F955-E957 PolarHBondContact O-N 3.28Å; F955-S958 WeakPolarHBondContact O-CB 3.42Å; F955-S958 PolarHBondContact O-N 2.86Å; F955-S958 PolarHBondContact O-OG 3.43Å; F955-F965 HydrophobicContact CB-CE1 4.12Å; F955-F965 HydrophobicContact CB-CE2 4.26Å; F955-F965 HydrophobicContact CB-CZ 3.84Å; F955-F965 AromaticContact CD2-CD1 3.98Å; F955-F965 HydrophobicContact CD2-CD1 3.98Å; F955-F965 HydrophobicContact CD2-CD2 4.17Å; F955-F965 HydrophobicContact CD2-CE1 4.16Å; F955-F965 HydrophobicContact CD2-CE2 4.35Å; F955-F965 AromaticContact CD2-CG 3.99Å; F955-F965 HydrophobicContact CD2-CG 3.99Å; F955-F965 HydrophobicContact CD2-CZ 4.34Å; F955-V970 HydrophobicContact CE2-CB 4.24Å; F955-V970 HydrophobicContact CE2-CG1 4.01Å; F955-V970 HydrophobicContact CE2-CG2 4.19Å; F955-V970 HydrophobicContact CZ-CG1 4.04Å; F955-I973 HydrophobicContact CB-CG2 4.09Å; F955-I973 HydrophobicContact CD1-CG2 3.56Å; F955-I973 HydrophobicContact CD2-CD1 4.35Å; F955-I973 HydrophobicContact CD2-CG2 4.07Å; F955-I973 HydrophobicContact CE1-CG2 3.93Å; F955-I973 HydrophobicContact CE2-CG2 4.41Å; F955-I973 HydrophobicContact CG-CG2 3.63Å; F955-I973 HydrophobicContact CZ-CG2 4.35Å; F955-S974 WeakPolarHBondContact CZ-OG 3.49Å; F955-I977 HydrophobicContact CD1-CD1 3.69Å; F955-I977 HydrophobicContact CE1-CD1 4.08Å
956	R	93.3	Very high	93.6	Very high	154 Å²	154	66.9 Å²	66.9	58%	0.581	33%	0.328	S	S	*	.	H	α-helix	trans	-62.9	-41.2	178.2	-72.8	165.6	63.8	148.5	1.8	112	F952 Y953 E981	F952-R956 WeakPolarHBondContact O-CB 3.38Å; F952-R956 WeakPolarHBondContact O-CD 3.2Å; F952-R956 WeakPolarHBondContact O-CG 3.41Å; F952-R956 PolarHBondContact O-N 2.88Å; Y953-R956 PolarHBondContact O-N 2.92Å; R956-E981 IonicContact NH1-OE1 2.74Å; R956-E981 PolarHBondContact NH1-OE1 3.38Å
957	E	93.8	Very high	93.5	Very high	83 Å²	83	70.2 Å²	70.2	39%	0.388	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	14.4	178.4	-59.8	-56.6	144.7	0	0	113.6	Y953 F955 Q959 A960 L961	Y953-E957 HydrophobicContact CD2-CG 4.08Å; Y953-E957 HydrophobicContact CE2-CG 3.59Å; Y953-E957 PolarHBondContact O-N 3.26Å; F955-E957 PolarHBondContact O-N 3.28Å; E957-Q959 VanDerWaalsContact C-N 3.29Å; E957-Q959 PolarHBondContact O-N 2.89Å; E957-Q959 VanDerWaalsContact O-N 3.15Å; E957-A960 PolarHBondContact O-N 3.4Å; E957-L961 HydrophobicContact CB-CD1 3.83Å; E957-L961 HydrophobicContact CB-CG 3.99Å; E957-L961 WeakPolarHBondContact O-CG 3.46Å; E957-L961 PolarHBondContact O-N 3.47Å
958	S	92.5	Very high	93.2	Very high	30 Å²	30	70.9 Å²	70.9	21%	0.21	34%	0.344	C	S	.	.	H	α-helix	trans	-51.8	-40.8	-172.6	48.1	0	0	0	0	114.2	T954 F955 K962 V963	T954-S958 VanDerWaalsContact O-CA 3.25Å; T954-S958 WeakPolarHBondContact O-CA 3.49Å; T954-S958 PolarHBondContact O-N 3.36Å; T954-S958 VanDerWaalsContact O-N 3.1Å; F955-S958 WeakPolarHBondContact O-CB 3.42Å; F955-S958 PolarHBondContact O-N 2.86Å; F955-S958 PolarHBondContact O-OG 3.43Å; S958-K962 CarbonylContact O-C 3.57Å; S958-K962 WeakPolarHBondContact O-CA 3.27Å; S958-K962 PolarHBondContact O-N 3.45Å; S958-V963 WeakPolarHBondContact CB-O 3.49Å; S958-V963 PolarHBondContact O-N 3.2Å
959	Q	90.2	Very high	93.2	Very high	183 Å²	183	70 Å²	70	86%	0.855	34%	0.339	S	S	*	.	H	α-helix	trans	-68	-39.8	176.6	-64	-175.2	2.7	0	0	113	E957	E957-Q959 VanDerWaalsContact C-N 3.29Å; E957-Q959 PolarHBondContact O-N 2.89Å; E957-Q959 VanDerWaalsContact O-N 3.15Å
960	A	91.8	Very high	93.2	Very high	77 Å²	77	67.8 Å²	67.8	64%	0.636	33%	0.329	S	S	*	.	H	α-helix	trans	-73.1	-36.8	179.8	0	0	0	0	0	111.8	E957	E957-A960 PolarHBondContact O-N 3.4Å
961	L	90.6	Very high	93.1	Very high	61 Å²	61	68.2 Å²	68.2	32%	0.319	33%	0.331	S	S	.	.	H	α-helix	trans	-84.7	-8.2	178.3	-61	175.6	0	0	0	113.6	D772 Y953 T954 E957 V963	D772-L961 WeakPolarHBondContact CB-O 3.2Å; Y953-L961 HydrophobicContact CE1-CD1 4.31Å; T954-L961 HydrophobicContact CG2-CD1 3.93Å; E957-L961 HydrophobicContact CB-CD1 3.83Å; E957-L961 HydrophobicContact CB-CG 3.99Å; E957-L961 WeakPolarHBondContact O-CG 3.46Å; E957-L961 PolarHBondContact O-N 3.47Å; L961-V963 VanDerWaalsContact C-N 3.28Å; L961-V963 HydrophobicContact CB-CG2 3.8Å; L961-V963 PolarHBondContact O-N 2.96Å
962	K	92.1	Very high	93	Very high	158 Å²	158	67.9 Å²	67.9	69%	0.687	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	38	-173	-53.7	179.4	-176.6	176.2	0	113.6	D772 S958	D772-K962 HydrophobicContact CB-CB 4.32Å; S958-K962 CarbonylContact O-C 3.57Å; S958-K962 WeakPolarHBondContact O-CA 3.27Å; S958-K962 PolarHBondContact O-N 3.45Å
963	V	93.4	Very high	93	Very high	8 Å²	8	67.5 Å²	67.5	5%	0.048	33%	0.327	C	S	.	.			trans	-100.4	121.6	-177.4	177.3	0	0	0	0	110.6	L775 S776 N779 S958 L961 F965	L775-V963 HydrophobicContact CB-CG1 3.9Å; L775-V963 HydrophobicContact CB-CG2 3.85Å; L775-V963 HydrophobicContact CD1-CG2 3.82Å; S776-V963 WeakPolarHBondContact OG-CA 3.4Å; N779-V963 VanDerWaalsContact ND2-CG1 3.26Å; N779-V963 WeakPolarHBondContact ND2-CG1 3.46Å; S958-V963 WeakPolarHBondContact CB-O 3.49Å; S958-V963 PolarHBondContact O-N 3.2Å; L961-V963 VanDerWaalsContact C-N 3.28Å; L961-V963 HydrophobicContact CB-CG2 3.8Å; L961-V963 PolarHBondContact O-N 2.96Å; V963-F965 HydrophobicContact CB-CE2 4.29Å; V963-F965 HydrophobicContact CG1-CD2 4.19Å; V963-F965 HydrophobicContact CG1-CE2 3.64Å; V963-F965 HydrophobicContact CG1-CZ 4.27Å
964	E	92.9	Very high	92.9	Very high	133 Å²	133	64.1 Å²	64.1	62%	0.621	32%	0.323	S	S	*	.			trans	-81.6	145.7	176.7	-61.4	-176.1	155.9	0	0	112.2	S776 N779	S776-E964 PolarHBondContact OG-N 3.38Å; N779-E964 VanDerWaalsContact CB-O 3.27Å; N779-E964 WeakPolarHBondContact CB-O 3.4Å; N779-E964 PolarHBondContact ND2-O 3.21Å
965	F	95	Very high	92.7	Very high	31 Å²	31	64.4 Å²	64.4	14%	0.136	32%	0.324	C	S	.	.			trans	-130.2	124.3	174.6	-76.2	-99.2	0	0	0	109.9	N779 T954 F955 V963 V970 I973	N779-F965 WeakPolarHBondContact ND2-CD1 3.34Å; N779-F965 VanDerWaalsContact ND2-CE1 3.27Å; N779-F965 WeakPolarHBondContact ND2-CE1 3.46Å; N779-F965 WeakPolarHBondContact ND2-CE2 3.35Å; N779-F965 WeakPolarHBondContact ND2-CZ 3.43Å; T954-F965 WeakPolarHBondContact O-CE2 3.3Å; F955-F965 HydrophobicContact CB-CE1 4.12Å; F955-F965 HydrophobicContact CB-CE2 4.26Å; F955-F965 HydrophobicContact CB-CZ 3.84Å; F955-F965 AromaticContact CD2-CD1 3.98Å; F955-F965 HydrophobicContact CD2-CD1 3.98Å; F955-F965 HydrophobicContact CD2-CD2 4.17Å; F955-F965 HydrophobicContact CD2-CE1 4.16Å; F955-F965 HydrophobicContact CD2-CE2 4.35Å; F955-F965 AromaticContact CD2-CG 3.99Å; F955-F965 HydrophobicContact CD2-CG 3.99Å; F955-F965 HydrophobicContact CD2-CZ 4.34Å; V963-F965 HydrophobicContact CB-CE2 4.29Å; V963-F965 HydrophobicContact CG1-CD2 4.19Å; V963-F965 HydrophobicContact CG1-CE2 3.64Å; V963-F965 HydrophobicContact CG1-CZ 4.27Å; F965-V970 HydrophobicContact CB-CG2 3.82Å; F965-I973 HydrophobicContact CD1-CD1 3.88Å; F965-I973 HydrophobicContact CE1-CD1 3.82Å
966	P	94.1	Very high	92.4	Very high	43 Å²	43	62.8 Å²	62.8	28%	0.279	32%	0.317	S	S	.	.			trans	-63	145	172.6	-22.2	33.1	0	0	0	112.3	M968 L969 V970	P966-M968 VanDerWaalsContact C-N 3.3Å; P966-M968 PolarHBondContact O-N 3.18Å; P966-M968 VanDerWaalsContact O-N 3.12Å; P966-L969 WeakPolarHBondContact O-CA 3.37Å; P966-L969 WeakPolarHBondContact O-CB 3.36Å; P966-L969 PolarHBondContact O-N 3.21Å; P966-V970 PolarHBondContact O-N 2.75Å
967	E	91.2	Very high	92.2	Very high	166 Å²	166	56.4 Å²	56.4	78%	0.776	29%	0.294	S	S	*	.	H	α-helix	trans	-45.3	-47.5	-175.8	-60.9	171.7	149.5	0	0	113.7	L969 V970 E971	E967-L969 VanDerWaalsContact C-N 3.28Å; E967-L969 PolarHBondContact O-N 3.17Å; E967-V970 WeakPolarHBondContact O-CA 3.2Å; E967-V970 WeakPolarHBondContact O-CB 3.31Å; E967-V970 PolarHBondContact O-N 2.94Å; E967-E971 PolarHBondContact O-N 2.83Å
968	M	90.4	Very high	91.8	Very high	24 Å²	24	55.9 Å²	55.9	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-34.5	177.2	177.6	173.9	-71	0	0	113.7	S109 M786 V787 P966 I972	S109-M968 WeakPolarHBondContact O-CE 3.47Å; M786-M968 HydrophobicContact CB-CG 4.43Å; M786-M968 HydrophobicContact CB-SD 3.68Å; M786-M968 HydrophobicContact CG-CG 3.94Å; M786-M968 HydrophobicContact CG-SD 3.41Å; M786-M968 WeakPolarHBondContact CG-SD 3.39Å; V787-M968 HydrophobicContact CG2-CE 3.76Å; V787-M968 HydrophobicContact CG2-SD 3.73Å; P966-M968 VanDerWaalsContact C-N 3.3Å; P966-M968 PolarHBondContact O-N 3.18Å; P966-M968 VanDerWaalsContact O-N 3.12Å; M968-I972 HydrophobicContact CG-CD1 3.92Å; M968-I972 WeakPolarHBondContact O-CB 3.31Å; M968-I972 WeakPolarHBondContact O-CD1 3.38Å; M968-I972 WeakPolarHBondContact O-CG1 3.31Å; M968-I972 PolarHBondContact O-N 2.9Å
969	L	93.5	Very high	91.6	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-77.6	-36.7	172.6	-63.5	-171	0	0	0	111.3	N779 A782 M786 W815 P966 E967 E971 I972 I973	N779-L969 WeakPolarHBondContact O-CD1 3.25Å; A782-L969 HydrophobicContact CB-CD1 3.87Å; M786-L969 HydrophobicContact CE-CD2 3.76Å; W815-L969 HydrophobicContact CE3-CD2 4.16Å; W815-L969 HydrophobicContact CH2-CD2 4.3Å; W815-L969 HydrophobicContact CZ3-CD1 4.48Å; W815-L969 HydrophobicContact CZ3-CD2 3.81Å; P966-L969 WeakPolarHBondContact O-CA 3.37Å; P966-L969 WeakPolarHBondContact O-CB 3.36Å; P966-L969 PolarHBondContact O-N 3.21Å; E967-L969 VanDerWaalsContact C-N 3.28Å; E967-L969 PolarHBondContact O-N 3.17Å; L969-E971 VanDerWaalsContact C-N 3.34Å; L969-E971 PolarHBondContact O-N 3.31Å; L969-I972 PolarHBondContact O-N 3.09Å; L969-I973 HydrophobicContact CB-CD1 4.14Å; L969-I973 WeakPolarHBondContact O-CB 3.48Å; L969-I973 WeakPolarHBondContact O-CD1 3.39Å; L969-I973 WeakPolarHBondContact O-CG1 3.45Å; L969-I973 PolarHBondContact O-N 2.9Å
970	V	94.7	Very high	91.3	Very high	52 Å²	52	50.1 Å²	50.1	32%	0.315	27%	0.269	S	S	.	.	H	α-helix	trans	-56.1	-48.8	175.3	179.9	0	0	0	0	110.5	F955 F965 P966 E967 S974	F955-V970 HydrophobicContact CE2-CB 4.24Å; F955-V970 HydrophobicContact CE2-CG1 4.01Å; F955-V970 HydrophobicContact CE2-CG2 4.19Å; F955-V970 HydrophobicContact CZ-CG1 4.04Å; F965-V970 HydrophobicContact CB-CG2 3.82Å; P966-V970 PolarHBondContact O-N 2.75Å; E967-V970 WeakPolarHBondContact O-CA 3.2Å; E967-V970 WeakPolarHBondContact O-CB 3.31Å; E967-V970 PolarHBondContact O-N 2.94Å; V970-S974 WeakPolarHBondContact O-CB 3.37Å; V970-S974 PolarHBondContact O-N 3.15Å; V970-S974 PolarHBondContact O-OG 3.43Å
971	E	93	Very high	90.7	Very high	45 Å²	45	52.2 Å²	52.2	21%	0.21	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-53	176	-68.7	175.8	-164.1	0	0	112.3	V106 S109 E967 L969 I973 S974 D975	V106-E971 WeakPolarHBondContact CA-OE2 3.48Å; V106-E971 HydrophobicContact CG2-CB 4.13Å; S109-E971 WeakPolarHBondContact CB-OE2 3.23Å; S109-E971 PolarHBondContact OG-OE2 2.97Å; E967-E971 PolarHBondContact O-N 2.83Å; L969-E971 VanDerWaalsContact C-N 3.34Å; L969-E971 PolarHBondContact O-N 3.31Å; E971-I973 VanDerWaalsContact C-N 3.31Å; E971-I973 PolarHBondContact O-N 3.5Å; E971-S974 PolarHBondContact O-N 2.88Å; E971-D975 WeakPolarHBondContact O-CB 3.4Å; E971-D975 PolarHBondContact O-N 3.34Å
972	I	93	Very high	90.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.4	-30.7	-174	-71.8	173.2	0	0	0	112.2	V106 M110 M786 Q812 M968 L969 Q976	V106-I972 HydrophobicContact CG1-CG1 4.46Å; M110-I972 HydrophobicContact CG-CD1 4.42Å; M110-I972 HydrophobicContact SD-CD1 4.39Å; M786-I972 HydrophobicContact CE-CD1 3.63Å; M786-I972 HydrophobicContact CE-CG2 4.03Å; M786-I972 HydrophobicContact CG-CD1 3.9Å; M786-I972 HydrophobicContact SD-CD1 3.85Å; Q812-I972 HydrophobicContact CG-CG1 4.47Å; Q812-I972 HydrophobicContact CG-CG2 4.48Å; M968-I972 HydrophobicContact CG-CD1 3.92Å; M968-I972 WeakPolarHBondContact O-CB 3.31Å; M968-I972 WeakPolarHBondContact O-CD1 3.38Å; M968-I972 WeakPolarHBondContact O-CG1 3.31Å; M968-I972 PolarHBondContact O-N 2.9Å; L969-I972 PolarHBondContact O-N 3.09Å; I972-Q976 WeakPolarHBondContact O-CB 3.49Å; I972-Q976 VanDerWaalsContact O-CG 3.3Å; I972-Q976 WeakPolarHBondContact O-CG 3.26Å; I972-Q976 PolarHBondContact O-N 2.96Å; I972-Q976 PolarHBondContact O-NE2 3.38Å
973	I	93.6	Very high	90	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-77.6	-47.4	174.6	-69.1	166.9	0	0	0	110.3	W815 F952 F955 F965 L969 E971 D975 Q976 I977	W815-I973 HydrophobicContact CH2-CD1 4.46Å; W815-I973 HydrophobicContact CZ2-CD1 4.47Å; W815-I973 HydrophobicContact CZ2-CG1 4.17Å; F952-I973 HydrophobicContact CD1-CG2 3.89Å; F952-I973 HydrophobicContact CE1-CG2 4.17Å; F955-I973 HydrophobicContact CB-CG2 4.09Å; F955-I973 HydrophobicContact CD1-CG2 3.56Å; F955-I973 HydrophobicContact CD2-CD1 4.35Å; F955-I973 HydrophobicContact CD2-CG2 4.07Å; F955-I973 HydrophobicContact CE1-CG2 3.93Å; F955-I973 HydrophobicContact CE2-CG2 4.41Å; F955-I973 HydrophobicContact CG-CG2 3.63Å; F955-I973 HydrophobicContact CZ-CG2 4.35Å; F965-I973 HydrophobicContact CD1-CD1 3.88Å; F965-I973 HydrophobicContact CE1-CD1 3.82Å; L969-I973 HydrophobicContact CB-CD1 4.14Å; L969-I973 WeakPolarHBondContact O-CB 3.48Å; L969-I973 WeakPolarHBondContact O-CD1 3.39Å; L969-I973 WeakPolarHBondContact O-CG1 3.45Å; L969-I973 PolarHBondContact O-N 2.9Å; E971-I973 VanDerWaalsContact C-N 3.31Å; E971-I973 PolarHBondContact O-N 3.5Å; I973-D975 VanDerWaalsContact C-N 3.31Å; I973-D975 PolarHBondContact O-N 3.05Å; I973-Q976 PolarHBondContact O-N 2.8Å; I973-Q976 VanDerWaalsContact O-N 3.07Å; I973-I977 HydrophobicContact CG2-CD1 3.54Å; I973-I977 HydrophobicContact CG2-CG1 4.01Å; I973-I977 WeakPolarHBondContact O-CG1 3.47Å; I973-I977 PolarHBondContact O-N 3.27Å
974	S	92.3	Very high	89.7	Confident	58 Å²	58	49.8 Å²	49.8	41%	0.406	27%	0.271	S	S	.	.	H	α-helix	trans	-61.8	-37.5	-177.5	-59.2	0	0	0	0	112.9	F955 V970 E971 P978	F955-S974 WeakPolarHBondContact CZ-OG 3.49Å; V970-S974 WeakPolarHBondContact O-CB 3.37Å; V970-S974 PolarHBondContact O-N 3.15Å; V970-S974 PolarHBondContact O-OG 3.43Å; E971-S974 PolarHBondContact O-N 2.88Å; S974-P978 WeakPolarHBondContact O-CD 3.46Å
975	D	90.1	Very high	89.4	Confident	11 Å²	11	45 Å²	45	6%	0.059	25%	0.251	C	S	.	.	H	α-helix	trans	-73.6	-29.3	175.4	176.2	77.2	0	0	0	112.9	L102 Q812 E971 I973 K979	L102-D975 HydrophobicContact CD2-CB 4.05Å; L102-D975 WeakPolarHBondContact CD2-OD1 3.37Å; Q812-D975 PolarHBondContact NE2-OD2 3.5Å; Q812-D975 PolarHBondContact OE1-OD2 2.9Å; E971-D975 WeakPolarHBondContact O-CB 3.4Å; E971-D975 PolarHBondContact O-N 3.34Å; I973-D975 VanDerWaalsContact C-N 3.31Å; I973-D975 PolarHBondContact O-N 3.05Å; D975-K979 VanDerWaalsContact O-CD 3.32Å; D975-K979 WeakPolarHBondContact O-CD 3.34Å; D975-K979 WeakPolarHBondContact O-CE 3.42Å; D975-K979 WeakPolarHBondContact O-CG 3.45Å; D975-K979 VanDerWaalsContact OD1-CE 3.31Å; D975-K979 WeakPolarHBondContact OD1-CE 3.49Å; D975-K979 IonicContact OD1-NZ 2.9Å; D975-K979 PolarHBondContact OD1-NZ 3.11Å; D975-K979 IonicContact OD2-NZ 2.63Å; D975-K979 PolarHBondContact OD2-NZ 2.97Å
976	Q	89.6	Confident	89.1	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-84.5	-40.2	-179	-82.2	-176.8	88.4	0	0	114.6	Q812 Y813 F952 I972 I973 K979 V980	Q812-Q976 HydrophobicContact CB-CG 4.49Å; Q812-Q976 PolarHBondContact O-NE2 3.36Å; Q812-Q976 PolarHBondContact O-OE1 3.47Å; Y813-Q976 HydrophobicContact CD1-CG 4.02Å; Y813-Q976 HydrophobicContact CE1-CG 4.1Å; F952-Q976 HydrophobicContact CZ-CB 4.45Å; I972-Q976 WeakPolarHBondContact O-CB 3.49Å; I972-Q976 VanDerWaalsContact O-CG 3.3Å; I972-Q976 WeakPolarHBondContact O-CG 3.26Å; I972-Q976 PolarHBondContact O-N 2.96Å; I972-Q976 PolarHBondContact O-NE2 3.38Å; I973-Q976 PolarHBondContact O-N 2.8Å; I973-Q976 VanDerWaalsContact O-N 3.07Å; Q976-K979 CarbonylContact O-C 3.57Å; Q976-K979 WeakPolarHBondContact O-CA 3.48Å; Q976-K979 PolarHBondContact O-N 3.04Å; Q976-V980 WeakPolarHBondContact O-CG2 3.41Å; Q976-V980 PolarHBondContact O-N 3.33Å
977	I	87.4	Confident	89	Confident	20 Å²	20	47.8 Å²	47.8	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-43.6	-57.2	-179.1	-77.3	169.9	0	0	0	112.1	F952 F955 I973 K979 V980 E981	F952-I977 HydrophobicContact CB-CD1 4.23Å; F952-I977 HydrophobicContact CB-CG1 4.12Å; F952-I977 HydrophobicContact CD1-CD1 3.99Å; F952-I977 HydrophobicContact CD1-CG1 3.45Å; F952-I977 VanDerWaalsContact CD1-CG1 3.45Å; F952-I977 HydrophobicContact CD2-CG1 4.1Å; F952-I977 HydrophobicContact CE1-CG1 3.76Å; F952-I977 HydrophobicContact CE2-CG1 4.37Å; F952-I977 HydrophobicContact CG-CD1 4.21Å; F952-I977 HydrophobicContact CG-CG1 3.63Å; F952-I977 HydrophobicContact CZ-CG1 4.21Å; F955-I977 HydrophobicContact CD1-CD1 3.69Å; F955-I977 HydrophobicContact CE1-CD1 4.08Å; I973-I977 HydrophobicContact CG2-CD1 3.54Å; I973-I977 HydrophobicContact CG2-CG1 4.01Å; I973-I977 WeakPolarHBondContact O-CG1 3.47Å; I973-I977 PolarHBondContact O-N 3.27Å; I977-K979 VanDerWaalsContact C-N 3.27Å; I977-K979 PolarHBondContact O-N 3.18Å; I977-V980 PolarHBondContact O-N 2.76Å; I977-E981 HydrophobicContact CG2-CG 4.29Å; I977-E981 WeakPolarHBondContact O-CB 3.3Å; I977-E981 WeakPolarHBondContact O-CG 3.13Å; I977-E981 PolarHBondContact O-N 3.01Å
978	P	86	Confident	89.1	Confident	72 Å²	72	41.7 Å²	41.7	47%	0.468	24%	0.236	S	C	.	.	H	α-helix	trans	-65.8	-28.7	-177.5	25.6	-34.7	0	0	0	113.1	S974 S982	S974-P978 WeakPolarHBondContact O-CD 3.46Å; P978-S982 VanDerWaalsContact O-CB 3.23Å; P978-S982 WeakPolarHBondContact O-CB 3.38Å; P978-S982 PolarHBondContact O-N 3.15Å; P978-S982 PolarHBondContact O-OG 2.93Å
979	K	87.6	Confident	89.2	Confident	53 Å²	53	44.4 Å²	44.4	23%	0.23	25%	0.245	C	C	.	.	H	α-helix	trans	-78.5	-30.5	179.5	-57.9	177.2	-167.3	171.4	0	112.5	Y813 D975 Q976 I977 S982 L984	Y813-K979 HydrophobicContact CE1-CB 4.43Å; Y813-K979 HydrophobicContact CE1-CD 4.42Å; Y813-K979 WeakPolarHBondContact OH-CD 3.45Å; D975-K979 VanDerWaalsContact O-CD 3.32Å; D975-K979 WeakPolarHBondContact O-CD 3.34Å; D975-K979 WeakPolarHBondContact O-CE 3.42Å; D975-K979 WeakPolarHBondContact O-CG 3.45Å; D975-K979 VanDerWaalsContact OD1-CE 3.31Å; D975-K979 WeakPolarHBondContact OD1-CE 3.49Å; D975-K979 IonicContact OD1-NZ 2.9Å; D975-K979 PolarHBondContact OD1-NZ 3.11Å; D975-K979 IonicContact OD2-NZ 2.63Å; D975-K979 PolarHBondContact OD2-NZ 2.97Å; Q976-K979 CarbonylContact O-C 3.57Å; Q976-K979 WeakPolarHBondContact O-CA 3.48Å; Q976-K979 PolarHBondContact O-N 3.04Å; I977-K979 VanDerWaalsContact C-N 3.27Å; I977-K979 PolarHBondContact O-N 3.18Å; K979-S982 PolarHBondContact O-OG 3.48Å; K979-L984 PolarHBondContact O-N 2.62Å
980	V	83.8	Confident	89.2	Confident	39 Å²	39	46.6 Å²	46.6	24%	0.236	26%	0.255	C	S	.	.	H	α-helix	trans	-83.3	-45.2	175.5	179.9	0	0	0	0	111	F952 Q976 I977 S982 G983 T985	F952-V980 HydrophobicContact CE2-CB 3.99Å; F952-V980 HydrophobicContact CE2-CG1 3.98Å; F952-V980 HydrophobicContact CE2-CG2 4.35Å; F952-V980 HydrophobicContact CZ-CB 4.38Å; F952-V980 HydrophobicContact CZ-CG2 4.27Å; Q976-V980 WeakPolarHBondContact O-CG2 3.41Å; Q976-V980 PolarHBondContact O-N 3.33Å; I977-V980 PolarHBondContact O-N 2.76Å; V980-S982 PolarHBondContact O-N 3.44Å; V980-G983 WeakPolarHBondContact O-CA 3.45Å; V980-G983 PolarHBondContact O-N 3.42Å; V980-T985 HydrophobicContact CG2-CG2 4.17Å
981	E	80.8	Confident	89.1	Confident	120 Å²	120	46.9 Å²	46.9	56%	0.561	25%	0.252	S	S	*	.	H	α-helix	trans	-63.2	-37.8	178.4	-72.4	-175.4	165.1	0	0	112.2	R956 I977 G983	R956-E981 IonicContact NH1-OE1 2.74Å; R956-E981 PolarHBondContact NH1-OE1 3.38Å; I977-E981 HydrophobicContact CG2-CG 4.29Å; I977-E981 WeakPolarHBondContact O-CB 3.3Å; I977-E981 WeakPolarHBondContact O-CG 3.13Å; I977-E981 PolarHBondContact O-N 3.01Å; E981-G983 PolarHBondContact O-N 3.26Å
982	S	84.8	Confident	88.4	Confident	70 Å²	70	54.7 Å²	54.7	49%	0.49	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.5	170.9	61.1	0	0	0	0	114	P978 K979 V980 L984	P978-S982 VanDerWaalsContact O-CB 3.23Å; P978-S982 WeakPolarHBondContact O-CB 3.38Å; P978-S982 PolarHBondContact O-N 3.15Å; P978-S982 PolarHBondContact O-OG 2.93Å; K979-S982 PolarHBondContact O-OG 3.48Å; V980-S982 PolarHBondContact O-N 3.44Å; S982-L984 VanDerWaalsContact C-N 3.29Å; S982-L984 PolarHBondContact O-N 2.75Å; S982-L984 WeakPolarHBondContact OG-CD1 3.29Å; S982-L984 WeakPolarHBondContact OG-CG 3.5Å
983	G	83.4	Confident	86.6	Confident	25 Å²	25	63.4 Å²	63.4	26%	0.258	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	31.8	-176.6	0	0	0	0	0	113.6	K892 V980 E981 T985	K892-G983 VanDerWaalsContact CD-O 3.26Å; K892-G983 WeakPolarHBondContact CD-O 3.3Å; K892-G983 WeakPolarHBondContact CE-O 3.16Å; K892-G983 PolarHBondContact NZ-O 2.67Å; V980-G983 WeakPolarHBondContact O-CA 3.45Å; V980-G983 PolarHBondContact O-N 3.42Å; E981-G983 PolarHBondContact O-N 3.26Å; G983-T985 PolarHBondContact O-N 3.1Å
984	L	85.4	Confident	86.3	Confident	81 Å²	81	66.6 Å²	66.6	42%	0.424	34%	0.34	S	S	.	.			trans	-75.5	0	175.9	-72.2	172.3	0	0	0	113.5	K892 K979 S982	K892-L984 WeakPolarHBondContact CB-O 3.46Å; K892-L984 PolarHBondContact N-O 3.41Å; K979-L984 PolarHBondContact O-N 2.62Å; S982-L984 VanDerWaalsContact C-N 3.29Å; S982-L984 PolarHBondContact O-N 2.75Å; S982-L984 WeakPolarHBondContact OG-CD1 3.29Å; S982-L984 WeakPolarHBondContact OG-CG 3.5Å
985	T	87.4	Confident	85.9	Confident	32 Å²	32	67.1 Å²	67.1	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	153.6	173.9	54.5	0	0	0	0	112.8	Y813 V980 G983	Y813-T985 HydrophobicContact CD1-CG2 3.88Å; Y813-T985 HydrophobicContact CD2-CG2 4.44Å; Y813-T985 HydrophobicContact CE1-CG2 3.48Å; Y813-T985 VanDerWaalsContact CE1-CG2 3.48Å; Y813-T985 HydrophobicContact CE2-CG2 4.06Å; Y813-T985 HydrophobicContact CG-CG2 4.36Å; V980-T985 HydrophobicContact CG2-CG2 4.17Å; G983-T985 PolarHBondContact O-N 3.1Å
986	H	89.5	Confident	85.7	Confident	99 Å²	99	70.2 Å²	70.2	46%	0.458	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.3	173.6	178	65.3	0	0	0	110.8	V890 K892	V890-H986 HydrophobicContact CG2-CB 4.31Å; V890-H986 PolarHBondContact N-O 2.98Å; V890-H986 PolarHBondContact O-N 2.88Å; K892-H986 HydrophobicContact CG-CB 4.25Å
987	T	91.8	Very high	85.5	Confident	34 Å²	34	74.2 Å²	74.2	21%	0.209	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.5	178.7	-53.4	0	0	0	0	110.6	H941 Y989	H941-T987 HydrophobicContact CB-CG2 4.06Å; H941-T987 VanDerWaalsContact CD2-CG2 3.48Å; H941-T987 WeakPolarHBondContact CD2-CG2 3.2Å; H941-T987 VanDerWaalsContact CG-CG2 3.47Å; T987-Y989 HydrophobicContact CG2-CD2 4.33Å; T987-Y989 HydrophobicContact CG2-CE1 4.4Å; T987-Y989 HydrophobicContact CG2-CE2 3.98Å; T987-Y989 VanDerWaalsContact O-CD2 3.23Å; T987-Y989 WeakPolarHBondContact O-CD2 3.41Å; T987-Y989 PolarHBondContact O-N 3.09Å
988	I	92.8	Very high	85.4	Confident	39 Å²	39	77.6 Å²	77.6	20%	0.2	39%	0.389	C	S	.	.			trans	-89.6	83.6	-176.5	-48.4	173.3	0	0	0	109.7	S888 V890 F901 R905	S888-I988 PolarHBondContact O-N 2.69Å; V890-I988 HydrophobicContact CG1-CD1 4.09Å; V890-I988 HydrophobicContact CG2-CD1 4Å; V890-I988 HydrophobicContact CG2-CG1 4.2Å; F901-I988 HydrophobicContact CE1-CD1 3.69Å; F901-I988 HydrophobicContact CZ-CD1 3.7Å; R905-I988 PolarHBondContact NH2-O 3.36Å
989	Y	93.5	Very high	85.3	Confident	80 Å²	80	77.9 Å²	77.9	31%	0.314	38%	0.384	S	S	.	.			trans	-63.6	153.4	172.4	-62.5	-86.9	0	0	0	112.5	D938 H941 T987 H991 K993	D938-Y989 HydrophobicContact CB-CD1 3.96Å; D938-Y989 VanDerWaalsContact OD1-CA 3.31Å; D938-Y989 WeakPolarHBondContact OD1-CA 3.25Å; H941-Y989 HydrophobicContact CB-CE1 4Å; T987-Y989 HydrophobicContact CG2-CD2 4.33Å; T987-Y989 HydrophobicContact CG2-CE1 4.4Å; T987-Y989 HydrophobicContact CG2-CE2 3.98Å; T987-Y989 VanDerWaalsContact O-CD2 3.23Å; T987-Y989 WeakPolarHBondContact O-CD2 3.41Å; T987-Y989 PolarHBondContact O-N 3.09Å; Y989-H991 WeakPolarHBondContact CB-O 3.44Å; Y989-K993 HydrophobicContact CE1-CD 4.45Å; Y989-K993 PolarHBondContact OH-NZ 3.21Å; Y989-K993 VanDerWaalsContact OH-NZ 3.08Å
990	F	93.1	Very high	85.2	Confident	47 Å²	47	79.7 Å²	79.7	21%	0.206	40%	0.395	C	S	.	.	S	Bend	trans	-82.8	-31	172.8	-75.4	-89.7	0	0	0	112.8	L884 I909 T934 L937 D938	L884-F990 HydrophobicContact CB-CZ 4.29Å; L884-F990 HydrophobicContact CD1-CZ 4.12Å; L884-F990 HydrophobicContact CD2-CZ 4.38Å; L884-F990 HydrophobicContact CG-CZ 4.5Å; I909-F990 HydrophobicContact CD1-CE1 3.82Å; I909-F990 HydrophobicContact CD1-CZ 4.44Å; I909-F990 HydrophobicContact CG1-CE1 3.94Å; I909-F990 HydrophobicContact CG1-CZ 4.42Å; T934-F990 HydrophobicContact CG2-CB 4.32Å; T934-F990 HydrophobicContact CG2-CD1 3.53Å; T934-F990 HydrophobicContact CG2-CD2 4.34Å; T934-F990 HydrophobicContact CG2-CE1 3.87Å; T934-F990 HydrophobicContact CG2-CG 3.79Å; T934-F990 HydrophobicContact CG2-CZ 4.41Å; L937-F990 HydrophobicContact CB-CD2 4.09Å; L937-F990 HydrophobicContact CB-CE2 4.06Å; L937-F990 HydrophobicContact CD1-CD2 4.01Å; L937-F990 HydrophobicContact CD1-CE2 3.38Å; L937-F990 HydrophobicContact CD1-CZ 3.8Å; L937-F990 HydrophobicContact CG-CE2 4.35Å; D938-F990 PolarHBondContact OD1-N 2.9Å
991	H	92	Very high	85.3	Confident	57 Å²	57	82.8 Å²	82.8	26%	0.264	41%	0.407	S	S	.	.	S	Bend	trans	-120.5	152.4	176.3	-45.3	105	0	0	0	110.3	F931 T934 K935 D938 Y989	F931-H991 AromaticContact CD2-CD2 3.85Å; F931-H991 AromaticContact CD2-CE1 3.77Å; F931-H991 AromaticContact CD2-NE2 3.22Å; F931-H991 WeakPolarHBondContact CD2-NE2 3.43Å; F931-H991 AromaticContact CE2-CD2 3.67Å; F931-H991 AromaticContact CE2-CE1 3.83Å; F931-H991 AromaticContact CE2-NE2 3.46Å; F931-H991 WeakPolarHBondContact CE2-NE2 3.16Å; T934-H991 PolarHBondContact OG1-CE1 3.48Å; T934-H991 PolarHBondContact OG1-NE2 2.91Å; K935-H991 PolarHBondContact N-CE1 3.03Å; D938-H991 IonicContact OD2-CE1 2.84Å; D938-H991 IonicContact OD2-CG 2.8Å; D938-H991 PolarHBondContact OD2-N 2.63Å; D938-H991 VanDerWaalsContact OD2-N 3.14Å; D938-H991 IonicContact OD2-ND1 3.34Å; D938-H991 PolarHBondContact OD2-ND1 2.78Å; Y989-H991 WeakPolarHBondContact CB-O 3.44Å
992	K	79.4	Confident	85.6	Confident	209 Å²	209	79.8 Å²	79.8	91%	0.909	39%	0.394	S	S	*	.			trans	-71.6	135	167.4	-63.1	-171.2	177	-170.1	0	108.5
993	K	54.6	Low	85.7	Confident	184 Å²	184	80.6 Å²	80.6	80%	0.8	39%	0.385	S	S	*	.			trans	-69.8	0	164.8	-72.7	-179.2	166.9	177.6	0	109.8	D942 Y989	D942-K993 IonicContact OD1-NZ 3.7Å; D942-K993 PolarHBondContact OD1-NZ 2.91Å; D942-K993 WeakPolarHBondContact OD2-CE 3.48Å; D942-K993 IonicContact OD2-NZ 3.63Å; D942-K993 PolarHBondContact OD2-NZ 3.12Å; Y989-K993 HydrophobicContact CE1-CD 4.45Å; Y989-K993 PolarHBondContact OH-NZ 3.21Å; Y989-K993 VanDerWaalsContact OH-NZ 3.08Å

Retrieved 993 of 993 residues in 257.9 ms (Link to these results)

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