A0A076VAC5_HUMAN Loading...

Dicer1e

AlphaFold DB , UniProt , Accession A0A076VAC5, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 820 aa.

						>A0A076VAC5_HUMAN|A0A076VAC5
MLAWESDHFLRILAENDNYCKHSTIVPENAAHQGANRTSSLENHDQMSVNCRTLLSESPGKLHVEVSADLTAINGLSYNQNLANGSYDLANRDFCQGNQLNYYKQEIPVQPTTSYSIQNLYSYENQPQPSDECTLLSNKYLDGNANKSTSDGSPVMAVMPGTTDTIQVLKGRMDSEQSPSIGYSSRTLGPNPGLILQALTLSNASDGFNLERLEMLGDSFLKHAITTYLFCTYPDAHEGRLSYMRSKKVSNCNLYRLGKKKGLPSRMVVSIFDPPVNWLPPGYVVNQDKSNTDKWEKDEMTKDCMLANGKLDEDYEEEDEEEESLMWRAPKEEADYEDDFLEYDQEHIRFIDNMLMGSGAFVKKISLSPFSTTDSAYEWKMPKKSSLGSMPFSSDFEDFDYSSWDAMCYLDPSKAVEEDDFVVGFWNPSEENCGVDTGKQSISYDLHTEQCIADKSIADCVEALLGCYLTSCGERAAQLFLCSLGLKVLPVIKRTDREKALCPTRENFNSQQKNLSVSCAAASVASSRSSVLKDSEYGCLKIPPRCMFDHPDADKTLNHLISGFENFEKKINYRFKNKAYLLQAFTHASYHYNTITDCYQRLEFLGDAILDYLITKHLYEDPRQHSPGVLTDLRSALVNNTIFASLAVKYDYHKYFKAVSPELFHVIDDFVQFQLEKNEMQGMDSELRRSEEDEEKEEDIEVPKAMGDIFESLAGAIYMDSGMSLETVWQVYYPMMRPLIEKFSANVPRSPVRELLEMEPETAKFSPAERTYDGKVRVTVEVVGKGKFKGVGRSYRIAKSAAARRALRSLKANQPQVPNS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.8	Very low	29	Very low	225 Å²	225	181.5 Å²	181.5	100%	1.108	89%	0.89	S	S	*	*				0	117.2	0	-70.3	147.8	-179.1	0	0	105.1
2	L	24.8	Very low	29.1	Very low	162 Å²	162	180.8 Å²	180.8	85%	0.848	89%	0.89	S	S	*	*				54.2	87.2	80.2	-58.8	174.8	0	0	0	107.6
3	A	29.5	Very low	29	Very low	90 Å²	90	180.5 Å²	180.5	74%	0.744	89%	0.893	S	S	*	*				57.8	78.7	61.4	0	0	0	0	0	110.9
4	W	28.1	Very low	29.2	Very low	252 Å²	252	174.2 Å²	174.2	96%	0.955	88%	0.884	S	S	*	*			trans	-168.2	105.7	164.1	-104.9	24	0	0	0	106.7
5	E	31.2	Very low	29.1	Very low	193 Å²	193	175 Å²	175	90%	0.902	88%	0.883	S	S	*	*			trans	166.5	73	153.7	-96.9	173.1	-163	0	0	108.9
6	S	31.3	Very low	28.9	Very low	127 Å²	127	174.9 Å²	174.9	89%	0.888	89%	0.886	S	S	*	*			trans	-152.1	36.1	175.3	-57.5	0	0	0	0	110.6
7	D	29.1	Very low	28.8	Very low	154 Å²	154	173.2 Å²	173.2	82%	0.824	88%	0.879	S	S	*	*			trans	-143.9	42.8	-167.1	-158.4	13.2	0	0	0	112.1
8	H	30.3	Very low	28.7	Very low	176 Å²	176	170.3 Å²	170.3	82%	0.815	87%	0.867	S	S	*	*	S	Bend	trans	-137.2	17.6	-178.3	-144.6	-67	0	0	0	115
9	F	29.4	Very low	28.6	Very low	207 Å²	207	173.4 Å²	173.4	91%	0.908	87%	0.868	S	S	*	*	S	Bend	trans	-123.9	7.1	178.4	-116.1	-87.7	0	0	0	115.2
10	L	28.7	Very low	28.4	Very low	173 Å²	173	169.9 Å²	169.9	91%	0.906	86%	0.859	S	S	*	*	S	Bend	trans	-119.2	45.5	177.2	-81.1	170.6	0	0	0	112.3
11	R	28.5	Very low	28.3	Very low	237 Å²	237	171.5 Å²	171.5	89%	0.894	86%	0.861	S	S	*	*			trans	-144.9	22.8	-177.9	-127.5	175.8	-170.7	173.9	4.2	117.7
12	I	30.2	Very low	28.3	Very low	174 Å²	174	169 Å²	169	89%	0.892	85%	0.846	S	S	*	*	S	Bend	trans	-131.7	65.2	170.6	-46.2	-180	0	0	0	110.1
13	L	28.3	Very low	28.3	Very low	177 Å²	177	166.4 Å²	166.4	93%	0.927	84%	0.842	S	S	*	*	S	Bend	trans	-156	19.5	167.3	-115.8	-178.3	0	0	0	114.1
14	A	32.1	Very low	28.1	Very low	92 Å²	92	168.2 Å²	168.2	76%	0.76	84%	0.843	S	S	*	*	S	Bend	trans	-152.9	69	-176.1	0	0	0	0	0	112.5
15	E	27.4	Very low	28	Very low	186 Å²	186	163.9 Å²	163.9	87%	0.869	84%	0.837	S	S	*	*			trans	-178.9	109.7	151.6	-107.5	166	-151.9	0	0	110.5
16	N	25.8	Very low	27.8	Very low	174 Å²	174	161.4 Å²	161.4	93%	0.93	84%	0.835	S	S	*	*			trans	171.8	100.1	138.3	-94.8	-50.7	0	0	0	109.5
17	D	26.6	Very low	28.3	Very low	146 Å²	146	160.2 Å²	160.2	78%	0.781	82%	0.824	S	S	*	*			trans	-136.6	140.8	173.5	-160.8	0	0	0	0	109.1
18	N	27.3	Very low	28.3	Very low	121 Å²	121	160.6 Å²	160.6	65%	0.647	82%	0.821	S	S	*	*			trans	70.1	119	-175.2	-50.3	-88.8	0	0	0	118
19	Y	26.7	Very low	28.2	Very low	229 Å²	229	158.6 Å²	158.6	90%	0.898	82%	0.816	S	S	*	*				-162.6	157	92.5	-118.5	-88.1	0	0	0	112.9
20	C	25.3	Very low	28.2	Very low	102 Å²	102	153.3 Å²	153.3	69%	0.689	81%	0.811	S	S	*	*			trans	-96.1	162.9	-164.5	-41.1	0	0	0	0	115.7
21	K	25.7	Very low	28.2	Very low	204 Å²	204	149.2 Å²	149.2	89%	0.887	80%	0.802	S	S	*	*				-166.8	161.4	129.6	-104.9	151.5	-169.3	173	0	115.6
22	H	27.3	Very low	28.4	Very low	173 Å²	173	145.8 Å²	145.8	80%	0.801	80%	0.796	S	S	*	*			trans	-78.7	151.9	-164.7	-52.4	-98.1	0	0	0	116.6
23	S	26	Very low	28.4	Very low	108 Å²	108	146 Å²	146	76%	0.755	79%	0.793	S	S	*	*				169.9	113.2	113.5	-71.2	0	0	0	0	110
24	T	25.3	Very low	28.3	Very low	127 Å²	127	141 Å²	141	78%	0.779	78%	0.784	S	S	*	*				67.3	106.9	81.2	-54.7	0	0	0	0	114.8
25	I	25.9	Very low	28.2	Very low	161 Å²	161	141 Å²	141	83%	0.826	78%	0.784	S	S	*	*			trans	-170.6	145.2	136.5	-98.1	153	0	0	0	109.4
26	V	26.8	Very low	28.2	Very low	141 Å²	141	138.2 Å²	138.2	86%	0.855	78%	0.775	S	S	*	*			trans	-141.7	125.9	176.6	167.4	0	0	0	0	107.7
27	P	42.4	Very low	28.4	Very low	102 Å²	102	140.7 Å²	140.7	66%	0.662	77%	0.772	S	S	*	*				-148.3	173.2	118	35.2	-16	0	0	0	112.8
28	E	27.6	Very low	28.5	Very low	162 Å²	162	139.6 Å²	139.6	76%	0.757	77%	0.77	S	S	*	*			cis	-154.8	165.1	-4.8	-126.3	-176	123.4	0	0	114
29	N	28.8	Very low	28.6	Very low	135 Å²	135	138.7 Å²	138.7	72%	0.722	77%	0.773	S	S	*	*			trans	-12.3	142.4	161.1	-59.9	-46.2	0	0	0	121.5
30	A	29.1	Very low	28.6	Very low	95 Å²	95	132.6 Å²	132.6	79%	0.785	76%	0.764	S	S	*	*				174.9	140	100	0	0	0	0	0	116
31	A	30	Very low	28.8	Very low	88 Å²	88	134.4 Å²	134.4	73%	0.727	77%	0.766	S	S	*	*			trans	54.9	153.1	143.9	0	0	0	0	0	122.1
32	H	31.3	Very low	29	Very low	164 Å²	164	131.8 Å²	131.8	76%	0.759	76%	0.757	S	S	*	*			cis	-169.2	143.2	-22.1	-107	-42.4	0	0	0	110.6
33	Q	30.1	Very low	29.2	Very low	180 Å²	180	128.5 Å²	128.5	84%	0.841	75%	0.746	S	S	*	*			trans	63.5	162.8	153	-58.5	169.6	20.5	0	0	117.7
34	G	27	Very low	29.4	Very low	72 Å²	72	130.1 Å²	130.1	74%	0.742	74%	0.741	S	S	*	*			cis	176.1	108.7	-12	0	0	0	0	0	115.9
35	A	29.3	Very low	29.4	Very low	91 Å²	91	129.3 Å²	129.3	75%	0.752	73%	0.732	S	S	*	*			trans	44.1	149.6	142.7	0	0	0	0	0	125.8
36	N	28.3	Very low	29.6	Very low	127 Å²	127	128.7 Å²	128.7	68%	0.679	73%	0.725	S	S	*	*			trans	88.7	114.6	156.9	-63.6	-48.1	0	0	0	119.1
37	R	30.3	Very low	29.6	Very low	227 Å²	227	130.3 Å²	130.3	86%	0.857	73%	0.726	S	S	*	*				83.3	144.3	89	-71.3	177.6	-178	-154.8	-1.9	112.7
38	T	27.9	Very low	28.8	Very low	122 Å²	122	130.4 Å²	130.4	75%	0.748	73%	0.729	S	S	*	*			cis	-145.3	164	26.5	44.4	0	0	0	0	115.2
39	S	29.4	Very low	28.8	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	73%	0.729	S	S	*	*			trans	-7.2	156.5	154.7	58.5	0	0	0	0	121.3
40	S	25.9	Very low	28.6	Very low	100 Å²	100	128.8 Å²	128.8	70%	0.699	73%	0.73	S	S	*	*			cis	-163	154.7	44	54.8	0	0	0	0	117.3
41	L	30	Very low	28.4	Very low	141 Å²	141	129.3 Å²	129.3	74%	0.738	73%	0.726	S	S	*	*			trans	27.1	136.2	139.8	-70.2	78.2	0	0	0	118.7
42	E	31.2	Very low	28.1	Very low	148 Å²	148	136.2 Å²	136.2	69%	0.692	73%	0.734	S	S	*	*			cis	-176.7	178.3	11.5	-121.1	178	-140.8	0	0	109.3
43	N	29.8	Very low	27.8	Very low	105 Å²	105	134.1 Å²	134.1	56%	0.561	73%	0.733	S	S	*	*			cis	-158.1	-169.9	-2.5	-143.5	-25.9	0	0	0	112.8
44	H	30.2	Very low	27.5	Very low	142 Å²	142	132.6 Å²	132.6	66%	0.657	73%	0.729	S	S	*	*			trans	5	146.6	156.1	-68.1	-65.3	0	0	0	122.2
45	D	26.5	Very low	27.4	Very low	110 Å²	110	135.9 Å²	135.9	59%	0.588	73%	0.729	S	S	*	*			cis	-159.4	155.8	1.9	-124.1	-19.2	0	0	0	116.2
46	Q	29.3	Very low	27.2	Very low	147 Å²	147	136.1 Å²	136.1	69%	0.687	73%	0.725	S	S	*	*			trans	30.5	125.5	146.7	-75.1	165.7	74.1	0	0	122.5
47	M	27.1	Very low	27	Very low	175 Å²	175	139 Å²	139	86%	0.862	74%	0.735	S	S	*	*				69.3	149.4	81	-70.2	-174.8	175.6	0	0	115.1
48	S	26.2	Very low	26.8	Very low	105 Å²	105	133.2 Å²	133.2	73%	0.734	73%	0.729	S	S	*	*			cis	-156.2	141.6	7	23.4	0	0	0	0	109.5
49	V	26.8	Very low	27.5	Very low	124 Å²	124	133.6 Å²	133.6	75%	0.752	73%	0.734	S	S	*	*				80	113.9	71.7	177.6	0	0	0	0	116.5
50	N	25.1	Very low	27.3	Very low	138 Å²	138	132.4 Å²	132.4	74%	0.738	74%	0.738	S	S	*	*			trans	83.2	115.4	146.9	-74.4	0.2	0	0	0	126.5
51	C	24.2	Very low	27.5	Very low	106 Å²	106	137.7 Å²	137.7	72%	0.716	75%	0.748	S	S	*	*				88.9	148.8	112.3	-69.3	0	0	0	0	125.9
52	R	25.3	Very low	27.4	Very low	234 Å²	234	139.4 Å²	139.4	88%	0.883	76%	0.757	S	S	*	*			trans	74.7	120.2	159.8	-72	171	-179.7	-177.2	-0.9	117.3
53	T	24	Very low	27.1	Very low	120 Å²	120	140.3 Å²	140.3	74%	0.736	76%	0.761	S	S	*	*				82.7	114.5	51.3	-53.4	0	0	0	0	113.2
54	L	24.3	Very low	27	Very low	147 Å²	147	140.8 Å²	140.8	77%	0.77	77%	0.767	S	S	*	*				169	137.9	124.3	-87.2	173.2	0	0	0	113.8
55	L	24.7	Very low	26.6	Very low	142 Å²	142	142.6 Å²	142.6	74%	0.743	78%	0.776	S	S	*	*			trans	60.2	127.6	140.3	-68	168.8	0	0	0	124.8
56	S	23.9	Very low	26.7	Very low	96 Å²	96	143.4 Å²	143.4	67%	0.671	78%	0.784	S	S	*	*			trans	46.5	134	133.9	67.8	0	0	0	0	121
57	E	24.7	Very low	26.5	Very low	187 Å²	187	142.3 Å²	142.3	87%	0.874	79%	0.793	S	S	*	*				-166.3	176	63.6	-84.3	-170.4	141.9	0	0	113.7
58	S	27	Very low	26.6	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	79%	0.786	S	S	*	*			trans	-137.4	167.1	161.9	71.2	0	0	0	0	107.3
59	P	41.8	Very low	26.5	Very low	131 Å²	131	140.4 Å²	140.4	85%	0.851	79%	0.79	S	S	*	*			cis	-141.2	-167.6	21.4	43.4	-24.1	0	0	0	114.9
60	G	24.8	Very low	26.7	Very low	78 Å²	78	141.8 Å²	141.8	80%	0.804	79%	0.792	S	S	*	*			trans	174.9	122.5	163.3	0	0	0	0	0	115.5
61	K	31.5	Very low	26.9	Very low	211 Å²	211	141.5 Å²	141.5	92%	0.917	80%	0.796	S	S	*	*			trans	-99.7	145	164.7	-76.1	-178.3	175.9	179.1	0	109.7
62	L	26.1	Very low	27.1	Very low	177 Å²	177	140 Å²	140	93%	0.927	79%	0.791	S	S	*	*			trans	-155	170.5	148.3	-109.7	168.8	0	0	0	110
63	H	25.2	Very low	27.4	Very low	167 Å²	167	136.2 Å²	136.2	77%	0.773	79%	0.787	S	S	*	*			trans	-154.8	157.8	-160.1	-157.4	-79.1	0	0	0	110.5
64	V	27.6	Very low	27.6	Very low	114 Å²	114	137.6 Å²	137.6	69%	0.691	79%	0.79	S	S	*	*			trans	73.6	145.8	179.1	-159.8	0	0	0	0	110.9
65	E	23.6	Very low	27.8	Very low	181 Å²	181	133.3 Å²	133.3	85%	0.846	78%	0.781	S	S	*	*			cis	-144.1	-178.8	29.3	-157.2	141.7	-124.4	0	0	116.2
66	V	27	Very low	27.9	Very low	126 Å²	126	135.2 Å²	135.2	76%	0.764	79%	0.791	S	S	*	*			trans	-87.3	152.4	-165.6	172.9	0	0	0	0	114.5
67	S	25.3	Very low	27.9	Very low	125 Å²	125	135.3 Å²	135.3	87%	0.874	79%	0.792	S	S	*	*			trans	-162	154.9	143	-81.2	0	0	0	0	111.3
68	A	29.6	Very low	28	Very low	86 Å²	86	137 Å²	137	71%	0.711	79%	0.792	S	S	*	*			trans	-156.2	157.5	-173.1	0	0	0	0	0	113.5
69	D	25	Very low	27.9	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	79%	0.792	S	S	*	*			trans	-165.8	135.1	157.4	-92.7	-35.2	0	0	0	106.4
70	L	29.3	Very low	27.2	Very low	152 Å²	152	140.4 Å²	140.4	80%	0.796	79%	0.789	S	S	*	*			cis	69.2	123.5	37.2	-69.4	166.9	0	0	0	112.4
71	T	29.5	Very low	27.3	Very low	132 Å²	132	143 Å²	143	81%	0.81	79%	0.785	S	S	*	*			cis	-150	-173.5	32.2	55.9	0	0	0	0	110.4
72	A	28.8	Very low	27	Very low	75 Å²	75	140.8 Å²	140.8	62%	0.62	78%	0.782	S	S	*	*			cis	-161	155	16.4	0	0	0	0	0	114.6
73	I	31.3	Very low	27	Very low	154 Å²	154	137 Å²	137	79%	0.79	78%	0.776	S	S	*	*			trans	45	130.4	132.6	-65.1	171.8	0	0	0	118.6
74	N	29.7	Very low	27	Very low	150 Å²	150	136.9 Å²	136.9	80%	0.802	78%	0.781	S	S	*	*			cis	-160.7	-177.1	7.2	-124.4	1.2	0	0	0	109.2
75	G	27.8	Very low	26.9	Very low	57 Å²	57	135.2 Å²	135.2	59%	0.588	79%	0.787	S	S	*	*			cis	149.2	138.4	-8.4	0	0	0	0	0	115.1
76	L	26	Very low	26.8	Very low	181 Å²	181	132 Å²	132	95%	0.948	78%	0.784	S	S	*	*			trans	74.8	160.3	167.4	-66.3	172.6	0	0	0	121.2
77	S	25	Very low	26.8	Very low	99 Å²	99	135.9 Å²	135.9	69%	0.692	79%	0.787	S	S	*	*			trans	-135.5	164.1	-162.8	55.9	0	0	0	0	113
78	Y	25.4	Very low	26.7	Very low	223 Å²	223	136.9 Å²	136.9	88%	0.875	78%	0.783	S	S	*	*			trans	-168.1	-168.5	144.3	-114.6	-75	0	0	0	113
79	N	25.6	Very low	26.6	Very low	135 Å²	135	139.7 Å²	139.7	72%	0.722	79%	0.785	S	S	*	*			trans	-110.5	177.6	-155.9	-79.3	-78	0	0	0	116.3
80	Q	28.2	Very low	26.6	Very low	171 Å²	171	137.2 Å²	137.2	80%	0.799	79%	0.786	S	S	*	*			trans	93.5	106.8	147.8	-83.9	174.7	-16.1	0	0	122.6
81	N	25.3	Very low	26.5	Very low	134 Å²	134	137 Å²	137	72%	0.717	79%	0.785	S	S	*	*				52.5	133.3	114.2	-64.5	3.7	0	0	0	124.4
82	L	25.7	Very low	26.4	Very low	164 Å²	164	142.2 Å²	142.2	86%	0.859	79%	0.79	S	S	*	*			trans	63.5	119.6	139	-69.4	165.7	0	0	0	120.7
83	A	26.5	Very low	26.3	Very low	97 Å²	97	144.3 Å²	144.3	80%	0.802	79%	0.791	S	S	*	*				167.3	165.9	106	0	0	0	0	0	114.2
84	N	25.3	Very low	25.9	Very low	165 Å²	165	146.3 Å²	146.3	88%	0.882	79%	0.794	S	S	*	*			trans	-59.9	160.8	169.4	-50.9	-24.2	0	0	0	111.7
85	G	24.6	Very low	25.7	Very low	78 Å²	78	143.2 Å²	143.2	80%	0.804	78%	0.784	S	S	*	*			cis	119.3	128.3	7.9	0	0	0	0	0	112.1
86	S	23	Very low	25.9	Very low	114 Å²	114	149.3 Å²	149.3	80%	0.797	80%	0.796	S	S	*	*			trans	-168.8	157.2	169.9	-174.5	0	0	0	0	113.7
87	Y	25.2	Very low	25.8	Very low	207 Å²	207	143.9 Å²	143.9	81%	0.812	78%	0.784	S	S	*	*			trans	-51	161.1	159.9	-52	-90.8	0	0	0	112.1
88	D	25.2	Very low	26	Very low	147 Å²	147	145.1 Å²	145.1	79%	0.786	78%	0.783	S	S	*	*				-161.5	-179	55.1	-141.4	-30.2	0	0	0	115.7
89	L	27.4	Very low	26	Very low	145 Å²	145	142.1 Å²	142.1	76%	0.759	78%	0.777	S	S	*	*			trans	-79.6	151.4	-172.5	-75.4	81.1	0	0	0	116.2
90	A	25	Very low	26	Very low	102 Å²	102	142.3 Å²	142.3	84%	0.843	78%	0.778	S	S	*	*			trans	-153	132.8	145.2	0	0	0	0	0	111.7
91	N	26.9	Very low	25.8	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	77%	0.773	S	S	*	*			trans	-93.8	154.6	178.6	-89.1	-17	0	0	0	112.9
92	R	26.3	Very low	25.7	Very low	243 Å²	243	143.1 Å²	143.1	92%	0.917	77%	0.774	S	S	*	*			trans	-153.8	146.2	139.3	-124.8	179.5	-177	-163.2	-0.3	113.5
93	D	26.4	Very low	25.5	Very low	119 Å²	119	144.4 Å²	144.4	64%	0.636	77%	0.769	S	S	*	*			trans	-90.8	160.2	-155.8	-40.9	-94.7	0	0	0	115.1
94	F	23.5	Very low	25.3	Very low	195 Å²	195	148.5 Å²	148.5	86%	0.855	77%	0.769	S	S	*	*				174.9	111.3	116.6	-105.9	-92.2	0	0	0	107.4
95	C	26.3	Very low	25.1	Very low	86 Å²	86	147.5 Å²	147.5	58%	0.581	76%	0.759	S	S	*	*				65.9	129.7	71.9	-71.3	0	0	0	0	113.2
96	Q	30.3	Very low	24.9	Very low	184 Å²	184	150.8 Å²	150.8	86%	0.86	75%	0.753	S	S	*	*			cis	-154.6	170.3	5.3	-94.7	145.7	-1.8	0	0	108.2
97	G	25.3	Very low	25	Very low	67 Å²	67	152.3 Å²	152.3	69%	0.691	75%	0.751	S	S	*	*			cis	158.1	164.2	4.7	0	0	0	0	0	107.6
98	N	27.8	Very low	24.9	Very low	126 Å²	126	148 Å²	148	67%	0.674	75%	0.748	S	S	*	*			cis	-158.1	139.2	-1.6	-113.8	14.8	0	0	0	108
99	Q	26.5	Very low	24.9	Very low	159 Å²	159	147.1 Å²	147.1	74%	0.743	75%	0.748	S	S	*	*				63.6	156.8	98.6	-64.1	-175.6	-11.7	0	0	117.7
100	L	25.8	Very low	24.6	Very low	140 Å²	140	148.1 Å²	148.1	73%	0.733	75%	0.749	S	S	*	*			cis	-176	136.5	-45.8	-116.2	169	0	0	0	110.2
101	N	23.9	Very low	24.9	Very low	130 Å²	130	148.1 Å²	148.1	70%	0.695	74%	0.74	S	S	*	*			trans	43.1	124.6	149.9	-75.6	2	0	0	0	125.6
102	Y	22.9	Very low	24.7	Very low	191 Å²	191	146.2 Å²	146.2	75%	0.749	73%	0.734	S	S	*	*			trans	85.1	141.1	130.2	-94.9	-86.8	0	0	0	126.1
103	Y	20.7	Very low	24.5	Very low	191 Å²	191	140.8 Å²	140.8	75%	0.749	73%	0.728	S	S	*	*			trans	83.7	120.8	153	-80.5	-61	0	0	0	124.9
104	K	22.6	Very low	24.5	Very low	183 Å²	183	139.6 Å²	139.6	80%	0.796	73%	0.729	S	S	*	*			trans	49	153.6	147	-79.7	-178.7	174.3	-173.9	0	119.9
105	Q	21.7	Very low	24.5	Very low	145 Å²	145	140.7 Å²	140.7	68%	0.678	73%	0.729	S	S	*	*			cis	-161.1	151.5	28.7	-157.3	164.6	-23.7	0	0	114.1
106	E	21.1	Very low	24.3	Very low	146 Å²	146	140.5 Å²	140.5	68%	0.682	73%	0.729	S	S	*	*			trans	48.2	118.4	152.7	-75.4	156.4	-132.7	0	0	127.1
107	I	25	Very low	24.1	Very low	146 Å²	146	138.2 Å²	138.2	75%	0.749	72%	0.721	S	S	*	*				55.2	119.6	123.2	-59.8	175	0	0	0	120.1
108	P	23.4	Very low	24	Very low	117 Å²	117	142.8 Å²	142.8	76%	0.76	73%	0.725	S	S	*	*				-150.8	140.5	95.4	37.2	-18.2	0	0	0	120
109	V	23.7	Very low	23.8	Very low	128 Å²	128	143.2 Å²	143.2	78%	0.776	73%	0.727	S	S	*	*			trans	46.7	120.9	137.3	-167.3	0	0	0	0	123.1
110	Q	22.1	Very low	23.7	Very low	166 Å²	166	141 Å²	141	78%	0.776	72%	0.72	S	S	*	*			trans	4.6	157.2	137.7	-65.4	-78.9	-15.9	0	0	120.5
111	P	30	Very low	23.7	Very low	102 Å²	102	144.5 Å²	144.5	66%	0.662	73%	0.725	S	S	*	*			cis	-153.8	170.2	33.7	42.8	-20.8	0	0	0	121.6
112	T	23.2	Very low	23.7	Very low	107 Å²	107	143.1 Å²	143.1	66%	0.656	73%	0.725	S	S	*	*			trans	66.1	146.9	140.8	46.6	0	0	0	0	126.5
113	T	23.5	Very low	23.9	Very low	129 Å²	129	143.4 Å²	143.4	79%	0.791	73%	0.726	S	S	*	*			trans	68.2	150.7	148.9	46.3	0	0	0	0	120.4
114	S	25.3	Very low	24.3	Very low	94 Å²	94	140.6 Å²	140.6	66%	0.657	72%	0.72	S	S	*	*			cis	-173	158.9	-16	51.1	0	0	0	0	112.4
115	Y	22.9	Very low	24.5	Very low	217 Å²	217	138.7 Å²	138.7	85%	0.851	72%	0.718	S	S	*	*			trans	17.4	150.3	142.8	-68.6	-66.6	0	0	0	121.8
116	S	23.1	Very low	24.7	Very low	83 Å²	83	138.7 Å²	138.7	58%	0.58	72%	0.718	S	S	*	*			cis	-176.4	167.7	17.2	-126.4	0	0	0	0	114.9
117	I	25.3	Very low	25	Very low	136 Å²	136	138 Å²	138	70%	0.697	73%	0.726	S	S	*	*			trans	71.4	148.4	144.3	-71.5	165	0	0	0	117.2
118	Q	24	Very low	25	Very low	163 Å²	163	138.7 Å²	138.7	76%	0.762	73%	0.726	S	S	*	*			cis	-138.6	142	16.4	-136.5	133	13.1	0	0	109.3
119	N	23.8	Very low	25.6	Very low	135 Å²	135	138.7 Å²	138.7	72%	0.722	73%	0.726	S	S	*	*				64.8	138.5	65.7	-104.5	8.2	0	0	0	114
120	L	24	Very low	25.6	Very low	113 Å²	113	136.7 Å²	136.7	59%	0.592	72%	0.718	S	S	*	*			cis	-139.9	-179.5	14.7	-65.3	98	0	0	0	110.2
121	Y	25.3	Very low	25.9	Very low	213 Å²	213	135.5 Å²	135.5	84%	0.835	72%	0.717	S	S	*	*			cis	-145.7	170.1	24.6	-90.8	-80.8	0	0	0	113.4
122	S	23.3	Very low	25.7	Very low	100 Å²	100	139.2 Å²	139.2	70%	0.699	73%	0.726	S	S	*	*			trans	-138.4	-166.4	-166.9	-42.6	0	0	0	0	113.4
123	Y	28.4	Very low	25.6	Very low	198 Å²	198	138.7 Å²	138.7	78%	0.776	73%	0.725	S	S	*	*			trans	94.1	140.6	168.4	-72.1	-100.9	0	0	0	118.3
124	E	29.1	Very low	25.7	Very low	132 Å²	132	137.5 Å²	137.5	62%	0.617	72%	0.718	S	S	*	*			cis	-179.3	145.6	-34	-125.4	175.3	-146.2	0	0	111.5
125	N	26.6	Very low	25.6	Very low	142 Å²	142	140.3 Å²	140.3	76%	0.759	73%	0.725	S	S	*	*				166.8	147.9	116.3	-95.1	-76.4	0	0	0	113.4
126	Q	26.6	Very low	25.7	Very low	145 Å²	145	136.9 Å²	136.9	68%	0.678	72%	0.721	S	S	*	*			trans	-127.3	-167.6	167.6	-70.2	-170.3	-14.4	0	0	109.5
127	P	27.5	Very low	25.8	Very low	131 Å²	131	136.9 Å²	136.9	85%	0.851	72%	0.72	S	S	*	*				-142.3	159.3	90.9	33.6	-16.2	0	0	0	117
128	Q	23.4	Very low	25.9	Very low	161 Å²	161	138 Å²	138	75%	0.752	73%	0.728	S	S	*	*			trans	-102.7	-169.6	168.5	-98.8	-170.4	2	0	0	109.7
129	P	36.5	Very low	26	Very low	117 Å²	117	138.9 Å²	138.9	76%	0.76	73%	0.729	S	S	*	*			cis	-132.6	-160.2	13.9	40.5	-16.7	0	0	0	113.1
130	S	24.1	Very low	26	Very low	87 Å²	87	142.7 Å²	142.7	61%	0.608	74%	0.735	S	S	*	*			cis	-157.3	174.5	19.2	55.4	0	0	0	0	116.4
131	D	28.2	Very low	26.2	Very low	141 Å²	141	144.2 Å²	144.2	75%	0.754	74%	0.743	S	S	*	*			trans	84	83.8	154	-49.6	-43.4	0	0	0	121.6
132	E	25.2	Very low	26.2	Very low	180 Å²	180	141.3 Å²	141.3	84%	0.841	74%	0.742	S	S	*	*				20.2	153.9	114.2	-66.3	-159.9	-174.1	0	0	121.1
133	C	22.5	Very low	26.2	Very low	96 Å²	96	140.4 Å²	140.4	65%	0.649	75%	0.748	S	S	*	*			cis	-172.1	176.4	-0	-107.8	0	0	0	0	109.5
134	T	24.2	Very low	26	Very low	104 Å²	104	138.8 Å²	138.8	64%	0.638	75%	0.753	S	S	*	*			cis	177.4	127.3	-32.7	-85.4	0	0	0	0	111.4
135	L	24.6	Very low	25.8	Very low	152 Å²	152	135.7 Å²	135.7	80%	0.796	75%	0.75	S	S	*	*			trans	67.3	168.6	162.5	-64.3	172.2	0	0	0	118.9
136	L	24.5	Very low	25.9	Very low	146 Å²	146	136 Å²	136	76%	0.764	75%	0.751	S	S	*	*			cis	-156.5	165.1	-1.1	-126.6	163.8	0	0	0	114.2
137	S	25.1	Very low	26	Very low	82 Å²	82	139.1 Å²	139.1	57%	0.573	76%	0.763	S	S	*	*			trans	-34.1	151.2	170.2	-176.2	0	0	0	0	121.6
138	N	26.5	Very low	25.9	Very low	161 Å²	161	138.8 Å²	138.8	86%	0.861	76%	0.764	S	S	*	*				-176.1	169.7	112.1	-91.4	-22.8	0	0	0	116.7
139	K	26.8	Very low	26.1	Very low	181 Å²	181	137 Å²	137	79%	0.787	76%	0.764	S	S	*	*			trans	-111.8	163.6	-177.2	-72.9	-175.3	175.7	-178.7	0	113.5
140	Y	24.2	Very low	25.6	Very low	215 Å²	215	136.5 Å²	136.5	84%	0.843	76%	0.763	S	S	*	*			trans	100	147.1	155.5	-78	-73.4	0	0	0	121.1
141	L	28	Very low	25.9	Very low	145 Å²	145	139.8 Å²	139.8	76%	0.759	77%	0.774	S	S	*	*			trans	81.6	98.6	168.7	-68.2	167.6	0	0	0	119.5
142	D	24.5	Very low	25.8	Very low	152 Å²	152	137 Å²	137	81%	0.813	78%	0.778	S	S	*	*				43.9	120.1	127.3	-58.5	-14.7	0	0	0	121.8
143	G	23.8	Very low	25.8	Very low	81 Å²	81	133.6 Å²	133.6	84%	0.835	77%	0.774	S	S	*	*				86	96.8	126.3	0	0	0	0	0	118.5
144	N	24.4	Very low	26.7	Very low	164 Å²	164	134.3 Å²	134.3	88%	0.877	78%	0.778	S	S	*	*				-158.3	150.7	104.8	-157.6	6.4	0	0	0	111.2
145	A	25	Very low	26.9	Very low	67 Å²	67	135.5 Å²	135.5	55%	0.554	79%	0.785	S	S	*	*			trans	-99.6	173.5	174.2	0	0	0	0	0	112
146	N	28.3	Very low	27	Very low	147 Å²	147	136.4 Å²	136.4	79%	0.786	79%	0.787	S	S	*	*			trans	98.8	101.7	159.7	-52.2	-32.9	0	0	0	118.1
147	K	27.9	Very low	27.1	Very low	212 Å²	212	133.1 Å²	133.1	92%	0.922	78%	0.78	S	S	*	*				-157.3	103.8	117.2	-106.7	167.2	-174.3	178.6	0	110.7
148	S	26.2	Very low	27.1	Very low	124 Å²	124	135.4 Å²	135.4	87%	0.867	79%	0.791	S	S	*	*			trans	-112.2	159.6	156.8	-174	0	0	0	0	107.8
149	T	26.7	Very low	26.9	Very low	122 Å²	122	135.7 Å²	135.7	75%	0.748	79%	0.789	S	S	*	*			trans	-131.4	123.7	-170.1	50.5	0	0	0	0	112.9
150	S	26.3	Very low	27.6	Very low	107 Å²	107	133 Å²	133	75%	0.748	79%	0.79	S	S	*	*			trans	62.5	104.5	166.7	-159	0	0	0	0	115.7
151	D	31.3	Very low	27.5	Very low	157 Å²	157	125.9 Å²	125.9	84%	0.84	78%	0.782	S	S	*	*				75.6	127.1	58.3	-68.5	-57.6	0	0	0	115.1
152	G	25.7	Very low	27.2	Very low	81 Å²	81	125.2 Å²	125.2	84%	0.835	78%	0.784	S	S	*	*			trans	-174.6	31.7	-175.2	0	0	0	0	0	115.8
153	S	25.2	Very low	27.3	Very low	109 Å²	109	124 Å²	124	76%	0.762	78%	0.782	S	S	*	*			trans	-41.7	157.7	175.3	-104.4	0	0	0	0	116.3
154	P	41	Very low	27.3	Very low	112 Å²	112	127.5 Å²	127.5	73%	0.727	78%	0.782	S	S	*	*				-156.5	146.4	67.9	40.7	-19.4	0	0	0	121.5
155	V	28.9	Very low	27.2	Very low	129 Å²	129	125.2 Å²	125.2	78%	0.782	77%	0.774	S	S	*	*				57.7	137.4	125.5	-176.7	0	0	0	0	119.2
156	M	26.7	Very low	27.3	Very low	171 Å²	171	130.3 Å²	130.3	84%	0.842	79%	0.79	S	S	*	*			cis	-150.1	-170.6	18.2	-123.5	-137.3	-174.7	0	0	109.4
157	A	25.8	Very low	27.1	Very low	76 Å²	76	131.7 Å²	131.7	63%	0.628	79%	0.792	S	S	*	*				-173.1	-179.7	-67.7	0	0	0	0	0	110.9
158	V	26.1	Very low	27	Very low	131 Å²	131	127.6 Å²	127.6	79%	0.794	79%	0.785	S	S	*	*			trans	81.8	150.6	164.3	-174.3	0	0	0	0	118.3
159	M	22.4	Very low	26.8	Very low	166 Å²	166	130 Å²	130	82%	0.818	79%	0.787	S	S	*	*			trans	-127.8	-165.3	-163.1	-64	-100.3	90.3	0	0	109.8
160	P	40.4	Very low	26.9	Very low	125 Å²	125	133.6 Å²	133.6	81%	0.812	79%	0.792	S	S	*	*			cis	-127	-175.6	-45.5	29.1	-10	0	0	0	112.2
161	G	22.2	Very low	26.7	Very low	66 Å²	66	132.4 Å²	132.4	68%	0.68	80%	0.797	S	S	*	*			trans	146.4	116.7	146.1	0	0	0	0	0	119.5
162	T	23.1	Very low	26.4	Very low	130 Å²	130	134.8 Å²	134.8	80%	0.798	79%	0.794	S	S	*	*			trans	24.2	126.1	142.5	44.6	0	0	0	0	122.6
163	T	25.4	Very low	26.3	Very low	126 Å²	126	139.6 Å²	139.6	77%	0.773	80%	0.797	S	S	*	*			trans	50.7	119.9	140.4	58.7	0	0	0	0	120.2
164	D	24	Very low	26.3	Very low	155 Å²	155	139.9 Å²	139.9	83%	0.829	79%	0.79	S	S	*	*				-158.2	176.9	96	-135.3	-38.3	0	0	0	113.4
165	T	23.4	Very low	25.5	Very low	117 Å²	117	140 Å²	140	72%	0.718	79%	0.793	S	S	*	*			trans	-85.3	155.3	-175	56.3	0	0	0	0	114.8
166	I	26.4	Very low	25.4	Very low	173 Å²	173	143.2 Å²	143.2	89%	0.887	80%	0.8	S	S	*	*				-168.3	162.1	127.4	-103	163.4	0	0	0	111.2
167	Q	23.4	Very low	25.3	Very low	177 Å²	177	144 Å²	144	83%	0.827	80%	0.802	S	S	*	*			trans	-99	148.1	-164.9	-64.7	174.5	-21.9	0	0	114.9
168	V	26.5	Very low	25.3	Very low	126 Å²	126	145.4 Å²	145.4	76%	0.764	81%	0.806	S	S	*	*			trans	34.8	121.3	133.5	-175.3	0	0	0	0	118.9
169	L	23	Very low	25.4	Very low	175 Å²	175	145.3 Å²	145.3	92%	0.916	81%	0.808	S	S	*	*			trans	-137.5	143.8	130.3	-152.3	72.4	0	0	0	111.6
170	K	28.1	Very low	25.5	Very low	197 Å²	197	142.6 Å²	142.6	86%	0.857	81%	0.806	S	S	*	*			trans	-106.3	104.3	-175.4	-178.5	175.5	-179.1	174.1	0	109.4
171	G	22.5	Very low	25.3	Very low	82 Å²	82	143.2 Å²	143.2	85%	0.845	80%	0.801	S	S	*	*			trans	-110.1	112	178.4	0	0	0	0	0	111.8
172	R	24.2	Very low	25.6	Very low	206 Å²	206	143.4 Å²	143.4	78%	0.777	80%	0.803	S	S	*	*			trans	-99.7	128.9	171.6	173.3	-165.3	174.4	-174.3	0.5	108.7	D174	R172-D174 IonicContact CZ-OD2 3.02Å; R172-D174 IonicContact NE-OD1 3.57Å; R172-D174 IonicContact NE-OD2 3.5Å; R172-D174 PolarHBondContact NE-OD2 3.35Å; R172-D174 VanDerWaalsContact NE-OD2 3.09Å; R172-D174 IonicContact NH2-OD2 3.97Å; R172-D174 PolarHBondContact NH2-OD2 2.94Å
173	M	24.6	Very low	26.4	Very low	183 Å²	183	143.9 Å²	143.9	90%	0.901	79%	0.791	S	S	*	*			trans	-155	145.3	141.2	-109.7	178.6	81.5	0	0	109.9
174	D	23.8	Very low	27	Very low	114 Å²	114	143.2 Å²	143.2	61%	0.61	79%	0.792	S	S	*	*			trans	-96.9	139.9	-168.3	-51.3	-71.6	0	0	0	110	R172	R172-D174 IonicContact CZ-OD2 3.02Å; R172-D174 IonicContact NE-OD1 3.57Å; R172-D174 IonicContact NE-OD2 3.5Å; R172-D174 PolarHBondContact NE-OD2 3.35Å; R172-D174 VanDerWaalsContact NE-OD2 3.09Å; R172-D174 IonicContact NH2-OD2 3.97Å; R172-D174 PolarHBondContact NH2-OD2 2.94Å
175	S	24.9	Very low	27.9	Very low	114 Å²	114	141 Å²	141	80%	0.797	79%	0.789	S	S	*	*			trans	-151.4	111.8	162.3	60.7	0	0	0	0	109.8
176	E	26.5	Very low	29.3	Very low	198 Å²	198	146 Å²	146	93%	0.925	80%	0.795	S	S	*	*			trans	-75.5	134.7	-178.9	-60.8	173.9	135.6	0	0	110.4
177	Q	25.3	Very low	30.5	Very low	188 Å²	188	143.2 Å²	143.2	88%	0.879	79%	0.786	S	S	*	*			trans	-118.7	131.5	161.7	-75.3	-171.7	-16.9	0	0	108.7
178	S	25.1	Very low	32.3	Very low	104 Å²	104	138.8 Å²	138.8	73%	0.727	77%	0.767	S	S	*	*			trans	-62.1	140.2	178.7	49.6	0	0	0	0	111.5	S180	S178-S180 PolarHBondContact O-N 3.33Å; S178-S180 VanDerWaalsContact O-N 3.1Å
179	P	28.5	Very low	34.3	Very low	129 Å²	129	133 Å²	133	84%	0.838	73%	0.733	S	S	*	*			trans	-65.1	112.7	169.5	28.3	-32.8	0	0	0	109.2
180	S	25.3	Very low	37.1	Very low	110 Å²	110	124.9 Å²	124.9	77%	0.769	69%	0.691	S	S	*	*			trans	-68.8	147.1	171.4	45.6	0	0	0	0	110.5	S178 G182	S178-S180 PolarHBondContact O-N 3.33Å; S178-S180 VanDerWaalsContact O-N 3.1Å; S180-G182 PolarHBondContact O-N 3.24Å
181	I	35.7	Very low	39.7	Very low	137 Å²	137	120.2 Å²	120.2	70%	0.703	68%	0.675	S	S	*	*			trans	-71.4	95.8	176.2	-62.4	173	0	0	0	108	Y183	I181-Y183 HydrophobicContact CB-CE2 4.26Å; I181-Y183 HydrophobicContact CG2-CD2 4.08Å; I181-Y183 HydrophobicContact CG2-CE2 3.63Å; I181-Y183 WeakPolarHBondContact O-CD2 3.47Å; I181-Y183 PolarHBondContact O-N 2.96Å
182	G	27.8	Very low	42.6	Very low	71 Å²	71	121.1 Å²	121.1	73%	0.732	67%	0.666	S	S	*	*			trans	-75.7	100.9	173.7	0	0	0	0	0	110.6	S180 S184	S180-G182 PolarHBondContact O-N 3.24Å; G182-S184 PolarHBondContact O-N 3.22Å
183	Y	40.9	Very low	45.4	Very low	139 Å²	139	113.2 Å²	113.2	55%	0.545	65%	0.649	S	S	.	*			trans	-65.1	125.1	175.2	-74	-95.9	0	0	0	110.5	I181 S185 F340	I181-Y183 HydrophobicContact CB-CE2 4.26Å; I181-Y183 HydrophobicContact CG2-CD2 4.08Å; I181-Y183 HydrophobicContact CG2-CE2 3.63Å; I181-Y183 WeakPolarHBondContact O-CD2 3.47Å; I181-Y183 PolarHBondContact O-N 2.96Å; Y183-S185 PolarHBondContact O-N 2.66Å; Y183-F340 HydrophobicContact CD2-CZ 4.26Å; Y183-F340 HydrophobicContact CE1-CE1 4.31Å; Y183-F340 HydrophobicContact CE1-CZ 4.42Å; Y183-F340 HydrophobicContact CE2-CE1 4.12Å; Y183-F340 HydrophobicContact CE2-CE2 4.2Å; Y183-F340 AromaticContact CE2-CZ 3.44Å; Y183-F340 HydrophobicContact CE2-CZ 3.44Å; Y183-F340 VanDerWaalsContact CE2-CZ 3.44Å; Y183-F340 AromaticContact CZ-CE1 3.74Å; Y183-F340 AromaticContact CZ-CZ 3.54Å; Y183-F340 WeakPolarHBondContact OH-CZ 3.42Å
184	S	37.4	Very low	48.3	Very low	113 Å²	113	106.6 Å²	106.6	79%	0.79	62%	0.617	S	S	*	*			trans	-75.9	89.6	178.9	172.5	0	0	0	0	110.9	G182 R186	G182-S184 PolarHBondContact O-N 3.22Å; S184-R186 PolarHBondContact O-N 2.93Å
185	S	43.4	Very low	51.3	Low	109 Å²	109	102.1 Å²	102.1	76%	0.762	59%	0.593	S	S	*	*			trans	-64	94.2	169.3	179.6	0	0	0	0	111.8	Y183	Y183-S185 PolarHBondContact O-N 2.66Å
186	R	52.4	Low	54.2	Low	221 Å²	221	100.5 Å²	100.5	83%	0.834	58%	0.575	S	S	*	*			trans	-167.3	148.7	153.4	-92.9	126.5	-149.3	-121.3	-0.1	110.3	S184	S184-R186 PolarHBondContact O-N 2.93Å
187	T	50.7	Low	57.1	Low	115 Å²	115	92.9 Å²	92.9	71%	0.706	54%	0.539	S	S	*	.			trans	56.9	102	-178.7	54.9	0	0	0	0	116.3
188	L	61.3	Low	60.2	Low	84 Å²	84	83.9 Å²	83.9	44%	0.44	50%	0.497	S	S	.	.	S	Bend	trans	-70.6	124.2	161.8	-72.6	164.1	0	0	0	109.6	Y343 E346	L188-Y343 HydrophobicContact CD2-CD2 4.45Å; L188-E346 VanDerWaalsContact CD1-OE2 3.29Å; L188-E346 WeakPolarHBondContact CD1-OE2 3.49Å; L188-E346 HydrophobicContact CD2-CB 4.01Å
189	G	69	Low	63.1	Low	3 Å²	3	80 Å²	80	3%	0.031	47%	0.468	C	S	.	.	S	Bend	trans	72.6	171.1	178	0	0	0	0	0	115.7	H347	G189-H347 PolarHBondContact N-CE1 3.27Å; G189-H347 PolarHBondContact N-NE2 2.92Å
190	P	82.3	Confident	65.8	Low	6 Å²	6	73.9 Å²	73.9	4%	0.039	43%	0.428	C	S	.	.			trans	-77.3	161.6	-174.1	-15.3	32.1	0	0	0	113.7	I195 C467 Y468	P190-I195 HydrophobicContact CB-CD1 4.09Å; P190-I195 HydrophobicContact CB-CG1 3.97Å; P190-I195 HydrophobicContact CG-CD1 4.46Å; P190-I195 HydrophobicContact CG-CG1 4.45Å; P190-I195 WeakPolarHBondContact O-CD1 3.41Å; P190-C467 WeakPolarHBondContact CB-SG 2.99Å; P190-Y468 VanDerWaalsContact CD-CZ 3.48Å; P190-Y468 HydrophobicContact CG-CD1 3.7Å; P190-Y468 HydrophobicContact CG-CD2 3.75Å; P190-Y468 HydrophobicContact CG-CE1 3.63Å; P190-Y468 HydrophobicContact CG-CE2 3.66Å; P190-Y468 HydrophobicContact CG-CG 3.75Å
191	N	82.9	Confident	68.7	Low	99 Å²	99	69.2 Å²	69.2	53%	0.529	40%	0.395	S	S	.	.			trans	-61.8	128.7	174.6	-176.8	-32.4	0	0	0	110.8	G193 L194 I195	N191-G193 PolarHBondContact O-N 2.76Å; N191-G193 VanDerWaalsContact O-N 3.08Å; N191-G193 PolarHBondContact OD1-N 2.96Å; N191-L194 HydrophobicContact CB-CB 4.47Å; N191-L194 HydrophobicContact CB-CD1 4.16Å; N191-L194 HydrophobicContact CB-CG 4.22Å; N191-L194 PolarHBondContact O-N 3.33Å; N191-I195 PolarHBondContact O-N 3.44Å
192	P	82.6	Confident	70.9	Confident	100 Å²	100	65.3 Å²	65.3	65%	0.649	38%	0.379	S	S	*	.	H	α-helix	trans	-50.4	-32.7	176.6	-30.7	36.9	0	0	0	115.3	I195 L196	P192-I195 PolarHBondContact O-N 3.25Å; P192-L196 WeakPolarHBondContact O-CB 3.39Å; P192-L196 PolarHBondContact O-N 2.92Å
193	G	82.9	Confident	73.4	Confident	41 Å²	41	66.1 Å²	66.1	42%	0.423	37%	0.367	S	S	.	.	H	α-helix	trans	-68.2	-35.4	175.1	0	0	0	0	0	113.6	N191 Q197	N191-G193 PolarHBondContact O-N 2.76Å; N191-G193 VanDerWaalsContact O-N 3.08Å; N191-G193 PolarHBondContact OD1-N 2.96Å; G193-Q197 WeakPolarHBondContact O-CB 3.34Å; G193-Q197 PolarHBondContact O-N 2.97Å
194	L	85.9	Confident	75.2	Confident	44 Å²	44	59.7 Å²	59.7	23%	0.23	34%	0.343	C	S	.	.	H	α-helix	trans	-75.3	-31.6	174.4	-64.6	175.8	0	0	0	111.6	N191 Q197 A198 C467 S471	N191-L194 HydrophobicContact CB-CB 4.47Å; N191-L194 HydrophobicContact CB-CD1 4.16Å; N191-L194 HydrophobicContact CB-CG 4.22Å; N191-L194 PolarHBondContact O-N 3.33Å; L194-Q197 PolarHBondContact O-N 3.17Å; L194-A198 WeakPolarHBondContact O-CB 3.23Å; L194-A198 PolarHBondContact O-N 3.14Å; L194-C467 VanDerWaalsContact C-SG 3.52Å; L194-C467 WeakPolarHBondContact CB-SG 3.26Å; L194-S471 WeakPolarHBondContact CD1-OG 3.36Å
195	I	86.3	Confident	77.1	Confident	20 Å²	20	58.2 Å²	58.2	10%	0.103	33%	0.333	C	S	.	.	H	α-helix	trans	-65.9	-45.2	172.3	-63.4	161.7	0	0	0	109.9	P190 N191 P192 A198 L199 M354 L464	P190-I195 HydrophobicContact CB-CD1 4.09Å; P190-I195 HydrophobicContact CB-CG1 3.97Å; P190-I195 HydrophobicContact CG-CD1 4.46Å; P190-I195 HydrophobicContact CG-CG1 4.45Å; P190-I195 WeakPolarHBondContact O-CD1 3.41Å; N191-I195 PolarHBondContact O-N 3.44Å; P192-I195 PolarHBondContact O-N 3.25Å; I195-A198 PolarHBondContact O-N 2.99Å; I195-L199 HydrophobicContact CG2-CD1 4.07Å; I195-L199 WeakPolarHBondContact O-CG 3.21Å; I195-L199 PolarHBondContact O-N 3.33Å; I195-L199 VanDerWaalsContact O-N 3.16Å; I195-M354 HydrophobicContact CD1-CG 4.41Å; I195-M354 HydrophobicContact CD1-SD 3.55Å; I195-M354 VanDerWaalsContact CD1-SD 3.55Å; I195-M354 HydrophobicContact CG1-SD 3.94Å; I195-M354 HydrophobicContact CG2-CE 4.24Å; I195-M354 HydrophobicContact CG2-SD 3.95Å; I195-L464 HydrophobicContact CG2-CD2 4.45Å
196	L	85.3	Confident	78.7	Confident	80 Å²	80	57.4 Å²	57.4	42%	0.419	32%	0.32	S	S	.	.	H	α-helix	trans	-60	-45.5	173.2	-178.7	60.5	0	0	0	111	P192 A198 L199 T200 F208 V268	P192-L196 WeakPolarHBondContact O-CB 3.39Å; P192-L196 PolarHBondContact O-N 2.92Å; L196-A198 VanDerWaalsContact C-N 3.31Å; L196-A198 PolarHBondContact O-N 3.2Å; L196-L199 PolarHBondContact O-N 3.47Å; L196-T200 PolarHBondContact O-N 3.36Å; L196-T200 PolarHBondContact O-OG1 3.44Å; L196-F208 HydrophobicContact CD2-CE2 4.41Å; L196-F208 HydrophobicContact CD2-CZ 3.86Å; L196-F208 HydrophobicContact CG-CE2 4Å; L196-F208 HydrophobicContact CG-CZ 3.96Å; L196-V268 HydrophobicContact CD1-CG2 4.47Å
197	Q	88.1	Confident	79.9	Confident	37 Å²	37	50.7 Å²	50.7	17%	0.173	32%	0.32	C	S	.	.	H	α-helix	trans	-57.2	-42.3	175.4	-178.5	-179.2	-2	0	0	112.8	G193 L194 L199 T200 F208 N209 L210 L213	G193-Q197 WeakPolarHBondContact O-CB 3.34Å; G193-Q197 PolarHBondContact O-N 2.97Å; L194-Q197 PolarHBondContact O-N 3.17Å; Q197-L199 PolarHBondContact O-N 3.07Å; Q197-T200 PolarHBondContact O-N 3.48Å; Q197-F208 HydrophobicContact CB-CD2 3.81Å; Q197-F208 HydrophobicContact CB-CE2 4.38Å; Q197-F208 HydrophobicContact CG-CB 4.21Å; Q197-F208 HydrophobicContact CG-CD2 3.95Å; Q197-F208 HydrophobicContact CG-CG 4.46Å; Q197-N209 WeakPolarHBondContact CG-O 3.31Å; Q197-N209 PolarHBondContact NE2-O 3.25Å; Q197-N209 CarbonylContact O-C 3.59Å; Q197-L210 WeakPolarHBondContact O-CA 3.47Å; Q197-L210 WeakPolarHBondContact O-CB 3.46Å; Q197-L210 PolarHBondContact O-N 2.88Å; Q197-L213 HydrophobicContact CB-CD1 4.2Å; Q197-L213 HydrophobicContact CG-CD1 3.9Å
198	A	90.1	Very high	81.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70	-16.3	177.4	0	0	0	0	0	114.1	L194 I195 L196 L210 L213 C460 A463 L464 C467	L194-A198 WeakPolarHBondContact O-CB 3.23Å; L194-A198 PolarHBondContact O-N 3.14Å; I195-A198 PolarHBondContact O-N 2.99Å; L196-A198 VanDerWaalsContact C-N 3.31Å; L196-A198 PolarHBondContact O-N 3.2Å; A198-L210 WeakPolarHBondContact O-CD2 3.37Å; A198-L213 HydrophobicContact CB-CD1 4.11Å; A198-C460 PolarHBondContact O-SG 2.91Å; A198-A463 HydrophobicContact CB-CB 3.9Å; A198-L464 HydrophobicContact CB-CD2 3.76Å; A198-L464 HydrophobicContact CB-CG 4.04Å; A198-C467 HydrophobicContact CB-CB 4.31Å
199	L	86.5	Confident	82.8	Confident	22 Å²	22	46.3 Å²	46.3	12%	0.115	29%	0.289	C	S	.	.	H	α-helix	trans	-95.3	-16.9	176.1	-69	167.9	0	0	0	113.1	I195 L196 Q197 R266 M267 V268	I195-L199 HydrophobicContact CG2-CD1 4.07Å; I195-L199 WeakPolarHBondContact O-CG 3.21Å; I195-L199 PolarHBondContact O-N 3.33Å; I195-L199 VanDerWaalsContact O-N 3.16Å; L196-L199 PolarHBondContact O-N 3.47Å; Q197-L199 PolarHBondContact O-N 3.07Å; L199-R266 HydrophobicContact CD1-CB 4.49Å; L199-R266 HydrophobicContact CD2-CB 4.21Å; L199-M267 HydrophobicContact CD2-CG 4.35Å; L199-M267 WeakPolarHBondContact O-CA 3.32Å; L199-V268 PolarHBondContact O-N 3.3Å
200	T	84.6	Confident	83.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-90.6	116.4	-179.5	-61.9	0	0	0	0	112.3	L196 Q197 A204 D206 F208 L210 V268	L196-T200 PolarHBondContact O-N 3.36Å; L196-T200 PolarHBondContact O-OG1 3.44Å; Q197-T200 PolarHBondContact O-N 3.48Å; T200-A204 HydrophobicContact CG2-CB 3.92Å; T200-D206 HydrophobicContact CG2-CB 3.99Å; T200-F208 HydrophobicContact CG2-CE2 4.32Å; T200-L210 WeakPolarHBondContact O-CB 3.19Å; T200-L210 PolarHBondContact O-N 3.45Å; T200-V268 HydrophobicContact CG2-CB 4.45Å
201	L	85.6	Confident	84.4	Confident	11 Å²	11	48.8 Å²	48.8	6%	0.058	30%	0.299	C	S	.	.			trans	-76.7	154.8	173.4	-72.9	171.2	0	0	0	111.8	N203 A204 L210 M267 V268 V269	L201-N203 WeakPolarHBondContact CB-OD1 3.44Å; L201-N203 PolarHBondContact O-N 3.24Å; L201-A204 VanDerWaalsContact O-CB 3.3Å; L201-A204 WeakPolarHBondContact O-CB 3.41Å; L201-A204 PolarHBondContact O-N 3.02Å; L201-L210 HydrophobicContact CD2-CD2 3.6Å; L201-L210 HydrophobicContact CD2-CG 4.24Å; L201-L210 HydrophobicContact CG-CD2 4.22Å; L201-M267 HydrophobicContact CD1-CE 3.82Å; L201-M267 HydrophobicContact CD2-CE 4.16Å; L201-M267 HydrophobicContact CG-CE 3.93Å; L201-V268 PolarHBondContact N-O 2.88Å; L201-V269 HydrophobicContact CD1-CB 4.18Å; L201-V269 HydrophobicContact CD1-CG1 3.89Å; L201-V269 HydrophobicContact CD1-CG2 3.68Å
202	S	83.6	Confident	84.8	Confident	55 Å²	55	45.6 Å²	45.6	39%	0.385	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-65.6	-20.6	-179.7	47.2	0	0	0	0	114.7	A204 S205 N209 E211	S202-A204 VanDerWaalsContact C-N 3.33Å; S202-S205 PolarHBondContact O-N 2.61Å; S202-N209 WeakPolarHBondContact CB-ND2 3.34Å; S202-E211 WeakPolarHBondContact CB-OE1 3.16Å; S202-E211 PolarHBondContact OG-OE1 3.32Å
203	N	79.8	Confident	85.4	Confident	88 Å²	88	40.9 Å²	40.9	47%	0.471	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-74.9	-18.5	173.1	70.1	-35	0	0	0	113.7	L201 S205 V269 I271	L201-N203 WeakPolarHBondContact CB-OD1 3.44Å; L201-N203 PolarHBondContact O-N 3.24Å; N203-S205 PolarHBondContact O-N 3.42Å; N203-S205 PolarHBondContact O-OG 3.28Å; N203-V269 PolarHBondContact ND2-O 3.47Å; N203-V269 PolarHBondContact OD1-O 2.94Å; N203-I271 WeakPolarHBondContact O-CG1 3.47Å
204	A	78.3	Confident	86	Confident	5 Å²	5	40.9 Å²	40.9	4%	0.041	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-67.1	-12.2	171.7	0	0	0	0	0	113.1	T200 L201 S202 D206 V268 I271	T200-A204 HydrophobicContact CG2-CB 3.92Å; L201-A204 VanDerWaalsContact O-CB 3.3Å; L201-A204 WeakPolarHBondContact O-CB 3.41Å; L201-A204 PolarHBondContact O-N 3.02Å; S202-A204 VanDerWaalsContact C-N 3.33Å; A204-D206 PolarHBondContact O-N 3.41Å; A204-D206 VanDerWaalsContact O-N 3.15Å; A204-V268 HydrophobicContact CB-CG1 4.07Å; A204-I271 WeakPolarHBondContact O-CA 3.43Å
205	S	76.6	Confident	86.4	Confident	82 Å²	82	39.4 Å²	39.4	57%	0.573	23%	0.23	S	C	*	.			trans	58	26.1	172.9	-47.4	0	0	0	0	115.2	S202 N203	S202-S205 PolarHBondContact O-N 2.61Å; N203-S205 PolarHBondContact O-N 3.42Å; N203-S205 PolarHBondContact O-OG 3.28Å
206	D	77.8	Confident	86.9	Confident	91 Å²	91	38.8 Å²	38.8	49%	0.487	23%	0.227	S	C	.	.			trans	-76.8	168.3	174.9	-155.4	-18.2	0	0	0	111.3	T200 A204 F208	T200-D206 HydrophobicContact CG2-CB 3.99Å; A204-D206 PolarHBondContact O-N 3.41Å; A204-D206 VanDerWaalsContact O-N 3.15Å; D206-F208 PolarHBondContact O-N 2.9Å; D206-F208 VanDerWaalsContact O-N 3.11Å; D206-F208 WeakPolarHBondContact OD2-CZ 3.35Å
207	G	78.3	Confident	87.4	Confident	81 Å²	81	35 Å²	35	84%	0.835	21%	0.207	S	C	*	.	S	Bend	trans	-68.1	-3.9	178.9	0	0	0	0	0	115
208	F	83.3	Confident	87.8	Confident	71 Å²	71	34.5 Å²	34.5	31%	0.311	21%	0.206	S	C	.	.			trans	-146.3	155.3	176.8	56.1	-96.7	0	0	0	110	L196 Q197 T200 D206	L196-F208 HydrophobicContact CD2-CE2 4.41Å; L196-F208 HydrophobicContact CD2-CZ 3.86Å; L196-F208 HydrophobicContact CG-CE2 4Å; L196-F208 HydrophobicContact CG-CZ 3.96Å; Q197-F208 HydrophobicContact CB-CD2 3.81Å; Q197-F208 HydrophobicContact CB-CE2 4.38Å; Q197-F208 HydrophobicContact CG-CB 4.21Å; Q197-F208 HydrophobicContact CG-CD2 3.95Å; Q197-F208 HydrophobicContact CG-CG 4.46Å; T200-F208 HydrophobicContact CG2-CE2 4.32Å; D206-F208 PolarHBondContact O-N 2.9Å; D206-F208 VanDerWaalsContact O-N 3.11Å; D206-F208 WeakPolarHBondContact OD2-CZ 3.35Å
209	N	88.8	Confident	88.1	Confident	35 Å²	35	34.5 Å²	34.5	19%	0.187	21%	0.206	C	C	.	.			trans	-146.8	168.3	177.4	73.7	20.9	0	0	0	112.1	Q197 S202 E211	Q197-N209 WeakPolarHBondContact CG-O 3.31Å; Q197-N209 PolarHBondContact NE2-O 3.25Å; Q197-N209 CarbonylContact O-C 3.59Å; S202-N209 WeakPolarHBondContact CB-ND2 3.34Å; N209-E211 VanDerWaalsContact C-N 3.34Å; N209-E211 VanDerWaalsContact ND2-CD 3.29Å; N209-E211 PolarHBondContact ND2-OE2 3.02Å; N209-E211 PolarHBondContact O-N 3.49Å; N209-E211 WeakPolarHBondContact OD1-CB 3.26Å; N209-E211 PolarHBondContact OD1-N 2.7Å; N209-E211 VanDerWaalsContact OD1-N 3.17Å
210	L	92.1	Very high	88.6	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.8	-177.8	71.3	75.3	0	0	0	114.9	Q197 A198 T200 L201 R212 L213 E214 D459 C460 A463	Q197-L210 WeakPolarHBondContact O-CA 3.47Å; Q197-L210 WeakPolarHBondContact O-CB 3.46Å; Q197-L210 PolarHBondContact O-N 2.88Å; A198-L210 WeakPolarHBondContact O-CD2 3.37Å; T200-L210 WeakPolarHBondContact O-CB 3.19Å; T200-L210 PolarHBondContact O-N 3.45Å; L201-L210 HydrophobicContact CD2-CD2 3.6Å; L201-L210 HydrophobicContact CD2-CG 4.24Å; L201-L210 HydrophobicContact CG-CD2 4.22Å; L210-R212 VanDerWaalsContact C-N 3.29Å; L210-R212 PolarHBondContact O-N 3.27Å; L210-R212 VanDerWaalsContact O-N 3.13Å; L210-L213 CarbonylContact O-C 3.55Å; L210-L213 WeakPolarHBondContact O-CA 3.27Å; L210-L213 PolarHBondContact O-N 2.6Å; L210-E214 HydrophobicContact CD1-CB 3.92Å; L210-E214 HydrophobicContact CD1-CG 4.5Å; L210-E214 PolarHBondContact O-N 2.92Å; L210-D459 HydrophobicContact CD1-CB 4.08Å; L210-C460 HydrophobicContact CD2-CB 4.08Å; L210-A463 HydrophobicContact CB-CB 3.67Å; L210-A463 HydrophobicContact CD1-CB 4.2Å; L210-A463 HydrophobicContact CG-CB 4.38Å
211	E	92.4	Very high	89.2	Confident	60 Å²	60	33.5 Å²	33.5	28%	0.28	20%	0.201	S	C	.	.	H	α-helix	trans	-60.3	-32.3	-165.6	-57.2	176.3	150.9	0	0	113.7	S202 N209 M215 P627	S202-E211 WeakPolarHBondContact CB-OE1 3.16Å; S202-E211 PolarHBondContact OG-OE1 3.32Å; N209-E211 VanDerWaalsContact C-N 3.34Å; N209-E211 VanDerWaalsContact ND2-CD 3.29Å; N209-E211 PolarHBondContact ND2-OE2 3.02Å; N209-E211 PolarHBondContact O-N 3.49Å; N209-E211 WeakPolarHBondContact OD1-CB 3.26Å; N209-E211 PolarHBondContact OD1-N 2.7Å; N209-E211 VanDerWaalsContact OD1-N 3.17Å; E211-M215 PolarHBondContact O-N 2.89Å; E211-P627 HydrophobicContact CB-CB 3.64Å; E211-P627 HydrophobicContact CB-CG 3.65Å; E211-P627 WeakPolarHBondContact OE2-CG 2.91Å
212	R	93	Very high	89.7	Confident	32 Å²	32	35.4 Å²	35.4	12%	0.121	21%	0.208	C	C	.	.	H	α-helix	trans	-71.3	-36.6	174.5	-72.5	-157.6	53.4	174.2	-19.6	112.9	L210 L216 Y619 H625 P627 L630	L210-R212 VanDerWaalsContact C-N 3.29Å; L210-R212 PolarHBondContact O-N 3.27Å; L210-R212 VanDerWaalsContact O-N 3.13Å; R212-L216 PolarHBondContact O-N 2.9Å; R212-Y619 HydrophobicContact CB-CD2 4.42Å; R212-Y619 HydrophobicContact CB-CE2 3.96Å; R212-Y619 PolarHBondContact NH2-O 3.15Å; R212-Y619 WeakPolarHBondContact O-CD2 3.37Å; R212-Y619 WeakPolarHBondContact O-CE2 3.42Å; R212-H625 PolarHBondContact NH1-O 3.45Å; R212-P627 HydrophobicContact CG-CG 3.72Å; R212-L630 HydrophobicContact CG-CD1 4.11Å
213	L	94.4	Very high	90.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-78.6	-37.2	178.9	-67.2	169.7	0	0	0	110.7	Q197 A198 L210 L216 G217 A463 C467 Y619	Q197-L213 HydrophobicContact CB-CD1 4.2Å; Q197-L213 HydrophobicContact CG-CD1 3.9Å; A198-L213 HydrophobicContact CB-CD1 4.11Å; L210-L213 CarbonylContact O-C 3.55Å; L210-L213 WeakPolarHBondContact O-CA 3.27Å; L210-L213 PolarHBondContact O-N 2.6Å; L213-L216 PolarHBondContact O-N 3.3Å; L213-G217 PolarHBondContact O-N 3.2Å; L213-A463 HydrophobicContact CB-CB 3.87Å; L213-C467 HydrophobicContact CD1-CB 4.42Å; L213-Y619 HydrophobicContact CD2-CE2 4.4Å; L213-Y619 VanDerWaalsContact CD2-OH 3.31Å; L213-Y619 WeakPolarHBondContact CD2-OH 3.23Å
214	E	95.9	Very high	91.1	Very high	42 Å²	42	29 Å²	29	20%	0.196	17%	0.17	C	C	.	.	H	α-helix	trans	-50.9	-55.9	170.1	175.8	-167.7	172.2	0	0	109.9	L210 L216 G217 D218 K455 D459 E462 A463	L210-E214 HydrophobicContact CD1-CB 3.92Å; L210-E214 HydrophobicContact CD1-CG 4.5Å; L210-E214 PolarHBondContact O-N 2.92Å; E214-L216 VanDerWaalsContact C-N 3.35Å; E214-L216 PolarHBondContact O-N 3.27Å; E214-G217 PolarHBondContact O-N 3.5Å; E214-G217 VanDerWaalsContact O-N 3.12Å; E214-D218 WeakPolarHBondContact O-CB 3.36Å; E214-D218 PolarHBondContact O-N 3.08Å; E214-K455 IonicContact OE1-NZ 2.85Å; E214-K455 PolarHBondContact OE1-NZ 3.44Å; E214-D459 HydrophobicContact CG-CB 4.07Å; E214-E462 HydrophobicContact CG-CB 4.44Å; E214-A463 HydrophobicContact CB-CB 4.4Å
215	M	94.2	Very high	92	Very high	13 Å²	13	29 Å²	29	6%	0.064	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-41.4	-178	174.8	167.3	158.8	0	0	113.2	E211 S219 T615 L630 R634	E211-M215 PolarHBondContact O-N 2.89Å; M215-S219 PolarHBondContact O-N 3.18Å; M215-T615 HydrophobicContact CE-CG2 3.89Å; M215-T615 HydrophobicContact CG-CG2 3.95Å; M215-L630 HydrophobicContact CE-CB 3.75Å; M215-L630 WeakPolarHBondContact CE-O 3.42Å; M215-L630 HydrophobicContact SD-CB 3.62Å; M215-R634 HydrophobicContact CE-CB 3.72Å; M215-R634 HydrophobicContact CE-CG 4.37Å
216	L	95.6	Very high	92.9	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.037	14%	0.142	C	C	.	.	H	α-helix	trans	-67.5	-43.7	175.4	-178.4	62.7	0	0	0	111.3	R212 L213 E214 S219 F220 L469 Y612 T615 K616 Y619	R212-L216 PolarHBondContact O-N 2.9Å; L213-L216 PolarHBondContact O-N 3.3Å; E214-L216 VanDerWaalsContact C-N 3.35Å; E214-L216 PolarHBondContact O-N 3.27Å; L216-S219 PolarHBondContact O-N 3.08Å; L216-S219 PolarHBondContact O-OG 3.2Å; L216-F220 PolarHBondContact O-N 3.46Å; L216-F220 VanDerWaalsContact O-N 3.16Å; L216-L469 HydrophobicContact CD1-CD2 4.4Å; L216-L469 HydrophobicContact CD2-CD2 4.44Å; L216-L469 HydrophobicContact CG-CD2 4.12Å; L216-Y612 HydrophobicContact CD1-CE2 4.09Å; L216-T615 HydrophobicContact CD1-CG2 4.43Å; L216-K616 HydrophobicContact CD1-CB 4.33Å; L216-Y619 HydrophobicContact CB-CD2 4.17Å; L216-Y619 HydrophobicContact CB-CE2 4.47Å; L216-Y619 HydrophobicContact CD2-CD1 4Å; L216-Y619 HydrophobicContact CD2-CD2 4.29Å; L216-Y619 HydrophobicContact CD2-CE1 4.01Å; L216-Y619 HydrophobicContact CD2-CE2 4.3Å; L216-Y619 HydrophobicContact CD2-CG 4.16Å
217	G	96.6	Very high	93.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-50.2	177.6	0	0	0	0	0	113.6	L213 E214 S219 F220 L221 E462 L465	L213-G217 PolarHBondContact O-N 3.2Å; E214-G217 PolarHBondContact O-N 3.5Å; E214-G217 VanDerWaalsContact O-N 3.12Å; G217-S219 VanDerWaalsContact C-N 3.31Å; G217-S219 PolarHBondContact O-N 3.18Å; G217-F220 PolarHBondContact O-N 2.84Å; G217-F220 VanDerWaalsContact O-N 3.13Å; G217-L221 VanDerWaalsContact O-CB 3.26Å; G217-L221 WeakPolarHBondContact O-CB 3.38Å; G217-L221 PolarHBondContact O-N 3.17Å; G217-E462 WeakPolarHBondContact CA-O 3.47Å; G217-L465 WeakPolarHBondContact O-CD2 3.33Å
218	D	96.3	Very high	94.5	Very high	26 Å²	26	18.5 Å²	18.5	14%	0.139	9%	0.086	C	C	.	.	H	α-helix	trans	-47	-52.3	174	159.1	52.2	0	0	0	111.5	E214 F220 L221 K222 R634	E214-D218 WeakPolarHBondContact O-CB 3.36Å; E214-D218 PolarHBondContact O-N 3.08Å; D218-F220 PolarHBondContact O-N 3.2Å; D218-L221 PolarHBondContact O-N 3.39Å; D218-K222 WeakPolarHBondContact O-CD 3.09Å; D218-K222 WeakPolarHBondContact O-CG 3.28Å; D218-K222 PolarHBondContact O-N 3.49Å; D218-K222 WeakPolarHBondContact OD1-CE 2.98Å; D218-K222 IonicContact OD1-NZ 3.5Å; D218-K222 PolarHBondContact OD1-NZ 3.5Å; D218-K222 IonicContact OD2-NZ 3.37Å; D218-K222 PolarHBondContact OD2-NZ 2.85Å; D218-R634 IonicContact OD2-CZ 3.25Å; D218-R634 VanDerWaalsContact OD2-CZ 3.29Å; D218-R634 IonicContact OD2-NH1 3.79Å; D218-R634 PolarHBondContact OD2-NH1 2.81Å; D218-R634 IonicContact OD2-NH2 3.72Å; D218-R634 PolarHBondContact OD2-NH2 2.97Å
219	S	96.8	Very high	95	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.2	-40.5	180	72.3	0	0	0	0	113.2	M215 L216 G217 H223 T615	M215-S219 PolarHBondContact O-N 3.18Å; L216-S219 PolarHBondContact O-N 3.08Å; L216-S219 PolarHBondContact O-OG 3.2Å; G217-S219 VanDerWaalsContact C-N 3.31Å; G217-S219 PolarHBondContact O-N 3.18Å; S219-H223 PolarHBondContact O-N 2.95Å; S219-H223 VanDerWaalsContact O-N 3.07Å; S219-T615 WeakPolarHBondContact OG-CG2 3.38Å
220	F	97.3	Very high	95.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-73.7	-34.6	176.9	-174.3	-101.8	0	0	0	113.2	L216 G217 D218 H223 A224 L465 L469 E474 A477 Q478 Y612	L216-F220 PolarHBondContact O-N 3.46Å; L216-F220 VanDerWaalsContact O-N 3.16Å; G217-F220 PolarHBondContact O-N 2.84Å; G217-F220 VanDerWaalsContact O-N 3.13Å; D218-F220 PolarHBondContact O-N 3.2Å; F220-H223 PolarHBondContact O-N 3.23Å; F220-A224 HydrophobicContact CE1-CB 4.34Å; F220-A224 WeakPolarHBondContact O-CB 3.06Å; F220-A224 PolarHBondContact O-N 3.27Å; F220-L465 HydrophobicContact CD1-CD1 4.15Å; F220-L465 HydrophobicContact CD1-CD2 4.16Å; F220-L465 HydrophobicContact CD1-CG 4.19Å; F220-L465 HydrophobicContact CE1-CD1 4.45Å; F220-L469 HydrophobicContact CB-CD2 3.55Å; F220-L469 HydrophobicContact CD1-CD1 4.41Å; F220-L469 HydrophobicContact CD1-CD2 4.14Å; F220-L469 HydrophobicContact CD2-CD1 4Å; F220-L469 HydrophobicContact CD2-CD2 3.87Å; F220-L469 HydrophobicContact CE1-CD1 4.38Å; F220-L469 HydrophobicContact CE2-CD1 3.96Å; F220-L469 HydrophobicContact CG-CD1 4.22Å; F220-L469 HydrophobicContact CG-CD2 3.57Å; F220-L469 HydrophobicContact CZ-CD1 4.15Å; F220-E474 HydrophobicContact CE2-CB 3.96Å; F220-E474 HydrophobicContact CE2-CG 3.72Å; F220-E474 HydrophobicContact CZ-CB 3.92Å; F220-E474 HydrophobicContact CZ-CG 4.15Å; F220-A477 HydrophobicContact CD1-CB 4.05Å; F220-A477 HydrophobicContact CE1-CB 3.43Å; F220-A477 VanDerWaalsContact CE1-CB 3.43Å; F220-A477 HydrophobicContact CZ-CB 4.09Å; F220-Q478 HydrophobicContact CE1-CG 4.4Å; F220-Q478 HydrophobicContact CZ-CG 4.14Å; F220-Y612 HydrophobicContact CB-CD2 3.89Å; F220-Y612 HydrophobicContact CB-CE2 3.86Å; F220-Y612 HydrophobicContact CD2-CD1 4.36Å; F220-Y612 HydrophobicContact CD2-CD2 4.15Å; F220-Y612 HydrophobicContact CD2-CE1 4Å; F220-Y612 AromaticContact CD2-CE2 3.81Å; F220-Y612 HydrophobicContact CD2-CE2 3.81Å; F220-Y612 HydrophobicContact CD2-CG 4.44Å; F220-Y612 AromaticContact CD2-CZ 3.73Å; F220-Y612 HydrophobicContact CG-CE2 4.28Å
221	L	97.2	Very high	95.3	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.016	7%	0.07	C	C	.	.	H	α-helix	trans	-59.9	-48.2	174.4	175.9	67.1	0	0	0	110.3	G217 D218 I225 V249 L254 E462 L465 L481 L486	G217-L221 VanDerWaalsContact O-CB 3.26Å; G217-L221 WeakPolarHBondContact O-CB 3.38Å; G217-L221 PolarHBondContact O-N 3.17Å; D218-L221 PolarHBondContact O-N 3.39Å; L221-I225 HydrophobicContact CD1-CD1 3.54Å; L221-I225 HydrophobicContact CD1-CG1 4.48Å; L221-I225 HydrophobicContact CG-CD1 4.04Å; L221-I225 WeakPolarHBondContact O-CB 3.14Å; L221-I225 PolarHBondContact O-N 3.13Å; L221-I225 VanDerWaalsContact O-N 3.1Å; L221-V249 HydrophobicContact CD2-CB 4.37Å; L221-V249 HydrophobicContact CD2-CG1 4.42Å; L221-V249 HydrophobicContact CG-CG1 4.22Å; L221-L254 HydrophobicContact CD2-CD1 3.7Å; L221-L254 HydrophobicContact CD2-CD2 3.91Å; L221-L254 HydrophobicContact CD2-CG 4.4Å; L221-E462 HydrophobicContact CD2-CG 4.14Å; L221-L465 HydrophobicContact CB-CD2 3.66Å; L221-L465 HydrophobicContact CD1-CD2 4.33Å; L221-L481 HydrophobicContact CD1-CD1 4.26Å; L221-L481 HydrophobicContact CD1-CD2 3.6Å; L221-L486 HydrophobicContact CD1-CD1 4.06Å
222	K	96.4	Very high	95.2	Very high	51 Å²	51	14.5 Å²	14.5	22%	0.222	7%	0.072	C	C	.	.	H	α-helix	trans	-56.8	-51.7	172.2	-72.2	159.9	174.7	157.5	0	110.7	D218 T226 D611	D218-K222 WeakPolarHBondContact O-CD 3.09Å; D218-K222 WeakPolarHBondContact O-CG 3.28Å; D218-K222 PolarHBondContact O-N 3.49Å; D218-K222 WeakPolarHBondContact OD1-CE 2.98Å; D218-K222 IonicContact OD1-NZ 3.5Å; D218-K222 PolarHBondContact OD1-NZ 3.5Å; D218-K222 IonicContact OD2-NZ 3.37Å; D218-K222 PolarHBondContact OD2-NZ 2.85Å; K222-T226 WeakPolarHBondContact O-CB 3.44Å; K222-T226 PolarHBondContact O-N 2.97Å; K222-T226 PolarHBondContact O-OG1 3.34Å; K222-D611 WeakPolarHBondContact CD-OD2 3.45Å; K222-D611 IonicContact NZ-OD2 2.66Å; K222-D611 PolarHBondContact NZ-OD2 3.27Å
223	H	96.9	Very high	95.1	Very high	3 Å²	3	16.5 Å²	16.5	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-55.8	-56.6	179.1	175.6	64.4	0	0	0	112.2	S219 F220 I225 T226 T227 I609 Y612 Y718	S219-H223 PolarHBondContact O-N 2.95Å; S219-H223 VanDerWaalsContact O-N 3.07Å; F220-H223 PolarHBondContact O-N 3.23Å; H223-I225 VanDerWaalsContact C-N 3.34Å; H223-I225 PolarHBondContact O-N 3.24Å; H223-T226 PolarHBondContact O-N 3.32Å; H223-T226 VanDerWaalsContact O-N 3.12Å; H223-T227 PolarHBondContact CE1-OG1 3.18Å; H223-T227 PolarHBondContact O-N 3.4Å; H223-T227 PolarHBondContact O-OG1 2.92Å; H223-I609 WeakPolarHBondContact ND1-CG1 3.47Å; H223-Y612 HydrophobicContact CB-CG 4.5Å; H223-Y718 AromaticContact CE1-CZ 3.73Å; H223-Y718 PolarHBondContact CE1-OH 3.38Å; H223-Y718 PolarHBondContact NE2-OH 3.37Å
224	A	95.9	Very high	94.8	Very high	5 Å²	5	18.5 Å²	18.5	4%	0.041	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-41.3	-175.9	0	0	0	0	0	112.9	F220 Y228 L481 V488	F220-A224 HydrophobicContact CE1-CB 4.34Å; F220-A224 WeakPolarHBondContact O-CB 3.06Å; F220-A224 PolarHBondContact O-N 3.27Å; A224-Y228 WeakPolarHBondContact O-CB 3.38Å; A224-Y228 PolarHBondContact O-N 2.9Å; A224-L481 HydrophobicContact CB-CD1 3.93Å; A224-V488 HydrophobicContact CB-CG1 4.43Å
225	I	95.9	Very high	94.4	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-70.7	-40	176.1	-73.4	165.7	0	0	0	111.4	L221 H223 Y228 L229 K248 V249 V488	L221-I225 HydrophobicContact CD1-CD1 3.54Å; L221-I225 HydrophobicContact CD1-CG1 4.48Å; L221-I225 HydrophobicContact CG-CD1 4.04Å; L221-I225 WeakPolarHBondContact O-CB 3.14Å; L221-I225 PolarHBondContact O-N 3.13Å; L221-I225 VanDerWaalsContact O-N 3.1Å; H223-I225 VanDerWaalsContact C-N 3.34Å; H223-I225 PolarHBondContact O-N 3.24Å; I225-Y228 PolarHBondContact O-N 3.13Å; I225-L229 HydrophobicContact CG2-CD1 3.74Å; I225-L229 HydrophobicContact CG2-CG 4.27Å; I225-L229 WeakPolarHBondContact O-CB 3.44Å; I225-L229 WeakPolarHBondContact O-CG 3.13Å; I225-L229 PolarHBondContact O-N 2.94Å; I225-K248 HydrophobicContact CD1-CB 3.98Å; I225-K248 HydrophobicContact CG2-CB 4.09Å; I225-V249 HydrophobicContact CD1-CG1 3.8Å; I225-V488 HydrophobicContact CG1-CG1 3.79Å
226	T	96.5	Very high	94.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-49.8	178.4	-59.4	0	0	0	0	110.7	K222 H223 L229 F230 R245 F604 L605 A608	K222-T226 WeakPolarHBondContact O-CB 3.44Å; K222-T226 PolarHBondContact O-N 2.97Å; K222-T226 PolarHBondContact O-OG1 3.34Å; H223-T226 PolarHBondContact O-N 3.32Å; H223-T226 VanDerWaalsContact O-N 3.12Å; T226-L229 PolarHBondContact O-N 2.9Å; T226-F230 WeakPolarHBondContact O-CB 3.05Å; T226-F230 PolarHBondContact O-N 3.43Å; T226-R245 WeakPolarHBondContact OG1-CD 3.37Å; T226-F604 HydrophobicContact CG2-CD1 3.8Å; T226-F604 HydrophobicContact CG2-CE1 3.44Å; T226-F604 VanDerWaalsContact CG2-CE1 3.44Å; T226-F604 HydrophobicContact CG2-CE2 4.39Å; T226-F604 HydrophobicContact CG2-CG 4.41Å; T226-F604 HydrophobicContact CG2-CZ 3.77Å; T226-F604 VanDerWaalsContact CG2-O 3.24Å; T226-F604 WeakPolarHBondContact CG2-O 3.48Å; T226-L605 HydrophobicContact CG2-CD1 4.09Å; T226-A608 HydrophobicContact CG2-CB 3.82Å; T226-A608 WeakPolarHBondContact OG1-CB 3.42Å
227	T	95.1	Very high	94.1	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-44.5	176.9	-56.5	0	0	0	0	111.8	H223 L229 F230 C231 L540 Y718 M723	H223-T227 PolarHBondContact CE1-OG1 3.18Å; H223-T227 PolarHBondContact O-N 3.4Å; H223-T227 PolarHBondContact O-OG1 2.92Å; T227-L229 PolarHBondContact O-N 3.17Å; T227-F230 PolarHBondContact O-N 3.4Å; T227-C231 WeakPolarHBondContact O-CB 3.44Å; T227-C231 PolarHBondContact O-N 3Å; T227-C231 PolarHBondContact O-SG 3.1Å; T227-L540 HydrophobicContact CG2-CD1 4.05Å; T227-Y718 HydrophobicContact CG2-CE1 3.88Å; T227-M723 HydrophobicContact CG2-SD 4.26Å
228	Y	94.4	Very high	94	Very high	30 Å²	30	30.5 Å²	30.5	12%	0.118	15%	0.154	C	C	.	.	H	α-helix	trans	-59.4	-46.6	175.7	174.2	-95.6	0	0	0	112	A224 I225 T232 K487 V488 L540	A224-Y228 WeakPolarHBondContact O-CB 3.38Å; A224-Y228 PolarHBondContact O-N 2.9Å; I225-Y228 PolarHBondContact O-N 3.13Å; Y228-T232 WeakPolarHBondContact CE2-OG1 3.34Å; Y228-T232 WeakPolarHBondContact O-CB 3.3Å; Y228-T232 PolarHBondContact O-N 3.42Å; Y228-T232 PolarHBondContact O-OG1 3.28Å; Y228-K487 WeakPolarHBondContact CD1-O 3.35Å; Y228-K487 HydrophobicContact CE1-CB 3.97Å; Y228-K487 WeakPolarHBondContact CE1-O 3.39Å; Y228-K487 HydrophobicContact CE2-CB 4.41Å; Y228-V488 WeakPolarHBondContact CD2-O 3.3Å; Y228-L540 HydrophobicContact CD2-CD2 4.05Å
229	L	94.3	Very high	93.8	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-66.5	-45	-179.9	-71.7	173.5	0	0	0	111.9	I225 T226 T227 C231 T232 Y233 L241 M244 R245	I225-L229 HydrophobicContact CG2-CD1 3.74Å; I225-L229 HydrophobicContact CG2-CG 4.27Å; I225-L229 WeakPolarHBondContact O-CB 3.44Å; I225-L229 WeakPolarHBondContact O-CG 3.13Å; I225-L229 PolarHBondContact O-N 2.94Å; T226-L229 PolarHBondContact O-N 2.9Å; T227-L229 PolarHBondContact O-N 3.17Å; L229-C231 VanDerWaalsContact C-N 3.33Å; L229-C231 PolarHBondContact O-N 2.9Å; L229-T232 PolarHBondContact O-N 3.24Å; L229-Y233 HydrophobicContact CD2-CD2 4Å; L229-Y233 HydrophobicContact CD2-CE2 3.83Å; L229-Y233 WeakPolarHBondContact O-CD2 3.43Å; L229-Y233 PolarHBondContact O-N 2.83Å; L229-L241 HydrophobicContact CB-CD2 4.07Å; L229-M244 HydrophobicContact CD1-CB 3.91Å; L229-M244 HydrophobicContact CD2-CB 4.09Å; L229-M244 HydrophobicContact CD2-CE 3.9Å; L229-R245 HydrophobicContact CD1-CB 4.04Å
230	F	93.8	Very high	93.7	Very high	9 Å²	9	36.9 Å²	36.9	4%	0.039	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-42.8	178.3	179.4	-84.2	0	0	0	112.3	T226 T227 R601 L602 L605 M719	T226-F230 WeakPolarHBondContact O-CB 3.05Å; T226-F230 PolarHBondContact O-N 3.43Å; T227-F230 PolarHBondContact O-N 3.4Å; F230-R601 HydrophobicContact CD2-CB 4.47Å; F230-R601 WeakPolarHBondContact CD2-O 3.25Å; F230-R601 HydrophobicContact CE2-CB 3.92Å; F230-R601 WeakPolarHBondContact CE2-O 3.45Å; F230-R601 PolarHBondContact O-NH2 3.38Å; F230-L602 HydrophobicContact CE2-CD2 4.12Å; F230-L602 HydrophobicContact CZ-CD2 3.8Å; F230-L605 HydrophobicContact CB-CD1 4.41Å; F230-L605 HydrophobicContact CD1-CD2 3.93Å; F230-L605 HydrophobicContact CD2-CB 4.17Å; F230-L605 HydrophobicContact CD2-CD2 4.16Å; F230-L605 HydrophobicContact CE1-CD2 4.03Å; F230-L605 HydrophobicContact CE2-CD2 4.24Å; F230-L605 HydrophobicContact CG-CD2 4.01Å; F230-L605 HydrophobicContact CZ-CD2 4.18Å; F230-M719 HydrophobicContact CD1-CE 4.46Å; F230-M719 HydrophobicContact CD1-SD 4.16Å; F230-M719 HydrophobicContact CE1-CE 3.81Å; F230-M719 HydrophobicContact CE1-CG 4.16Å; F230-M719 HydrophobicContact CE1-SD 3.69Å; F230-M719 HydrophobicContact CZ-CG 4.46Å
231	C	91.4	Very high	93.5	Very high	15 Å²	15	36.9 Å²	36.9	10%	0.101	18%	0.184	C	C	.	.	H	α-helix	trans	-78.5	-31.3	179.4	-68.8	0	0	0	0	113.5	T227 L229 L540 P543	T227-C231 WeakPolarHBondContact O-CB 3.44Å; T227-C231 PolarHBondContact O-N 3Å; T227-C231 PolarHBondContact O-SG 3.1Å; L229-C231 VanDerWaalsContact C-N 3.33Å; L229-C231 PolarHBondContact O-N 2.9Å; C231-L540 HydrophobicContact CB-CD2 4.25Å; C231-P543 HydrophobicContact CB-CG 4.39Å
232	T	90.9	Very high	93.4	Very high	53 Å²	53	37.8 Å²	37.8	33%	0.325	19%	0.191	S	C	.	.	H	α-helix	trans	-80.4	-31.6	-179.4	-55.2	0	0	0	0	112.5	Y228 L229 P234	Y228-T232 WeakPolarHBondContact CE2-OG1 3.34Å; Y228-T232 WeakPolarHBondContact O-CB 3.3Å; Y228-T232 PolarHBondContact O-N 3.42Å; Y228-T232 PolarHBondContact O-OG1 3.28Å; L229-T232 PolarHBondContact O-N 3.24Å; T232-P234 VanDerWaalsContact C-CD 3.48Å; T232-P234 VanDerWaalsContact O-CD 3.29Å; T232-P234 WeakPolarHBondContact O-CD 3.29Å
233	Y	90.9	Very high	93.4	Very high	74 Å²	74	41.1 Å²	41.1	29%	0.29	20%	0.203	S	C	.	.			trans	-121.2	72.9	-176.4	-55.9	-83.7	0	0	0	110.8	L229 D235 A236 M244 R601	L229-Y233 HydrophobicContact CD2-CD2 4Å; L229-Y233 HydrophobicContact CD2-CE2 3.83Å; L229-Y233 WeakPolarHBondContact O-CD2 3.43Å; L229-Y233 PolarHBondContact O-N 2.83Å; Y233-D235 VanDerWaalsContact C-N 3.27Å; Y233-D235 PolarHBondContact O-N 2.78Å; Y233-A236 PolarHBondContact O-N 2.64Å; Y233-M244 HydrophobicContact CD2-CE 4.06Å; Y233-M244 HydrophobicContact CE1-CE 4.22Å; Y233-M244 HydrophobicContact CE2-CE 3.63Å; Y233-R601 PolarHBondContact O-NH2 2.84Å
234	P	88.3	Confident	93.2	Very high	41 Å²	41	43 Å²	43	27%	0.266	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.4	-177.9	25.4	-34.6	0	0	0	112.7	T232 A236 P543 R601	T232-P234 VanDerWaalsContact C-CD 3.48Å; T232-P234 VanDerWaalsContact O-CD 3.29Å; T232-P234 WeakPolarHBondContact O-CD 3.29Å; P234-A236 VanDerWaalsContact C-N 3.31Å; P234-A236 PolarHBondContact O-N 2.85Å; P234-P543 HydrophobicContact CB-CB 4.16Å; P234-P543 HydrophobicContact CB-CG 4.47Å; P234-R601 PolarHBondContact O-NE 3.23Å; P234-R601 PolarHBondContact O-NH2 2.75Å
235	D	87.2	Confident	93.2	Very high	126 Å²	126	44.8 Å²	44.8	67%	0.674	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	11	-176.6	-49.2	-43	0	0	0	112.8	Y233 R545	Y233-D235 VanDerWaalsContact C-N 3.27Å; Y233-D235 PolarHBondContact O-N 2.78Å; D235-R545 IonicContact OD1-CZ 3.58Å; D235-R545 IonicContact OD1-NH1 3.61Å; D235-R545 PolarHBondContact OD1-NH1 2.97Å; D235-R545 IonicContact OD2-NH1 2.89Å; D235-R545 PolarHBondContact OD2-NH1 2.98Å; D235-R545 VanDerWaalsContact OD2-NH1 3.16Å
236	A	91.3	Very high	93.2	Very high	5 Å²	5	47.8 Å²	47.8	4%	0.041	24%	0.24	C	C	.	.			trans	-98.1	127.6	176.3	0	0	0	0	0	111.9	Y233 P234 R240 L241 R601	Y233-A236 PolarHBondContact O-N 2.64Å; P234-A236 VanDerWaalsContact C-N 3.31Å; P234-A236 PolarHBondContact O-N 2.85Å; A236-R240 HydrophobicContact CB-CG 4.41Å; A236-L241 HydrophobicContact CB-CD2 3.95Å; A236-L241 HydrophobicContact CB-CG 4.09Å; A236-L241 WeakPolarHBondContact O-CD1 3.11Å; A236-R601 WeakPolarHBondContact O-CD 3.1Å; A236-R601 PolarHBondContact O-NE 2.84Å
237	H	92.5	Very high	93	Very high	122 Å²	122	52.8 Å²	52.8	57%	0.565	26%	0.261	S	S	*	.			trans	-70.3	164	174.4	67.9	-94.6	0	0	0	112.5	G239 R240 L241	H237-G239 PolarHBondContact CD2-N 2.84Å; H237-G239 PolarHBondContact O-N 3.05Å; H237-R240 PolarHBondContact NE2-N 3.35Å; H237-R240 PolarHBondContact O-N 2.74Å; H237-L241 PolarHBondContact O-N 3.41Å
238	E	93.7	Very high	92.9	Very high	61 Å²	61	57.2 Å²	57.2	29%	0.285	28%	0.28	S	S	.	.	H	α-helix	trans	-44.8	-62.4	-178.3	176.3	-73.8	127.5	0	0	112.8	R240 L241 S242 Q600 F604	E238-R240 VanDerWaalsContact C-N 3.27Å; E238-R240 PolarHBondContact O-N 3.08Å; E238-R240 VanDerWaalsContact O-N 3.11Å; E238-L241 CarbonylContact O-C 3.48Å; E238-L241 WeakPolarHBondContact O-CA 3.38Å; E238-L241 WeakPolarHBondContact O-CB 3.44Å; E238-L241 PolarHBondContact O-N 3.13Å; E238-S242 PolarHBondContact O-N 3.34Å; E238-S242 WeakPolarHBondContact OE1-CB 3.47Å; E238-S242 PolarHBondContact OE1-OG 2.83Å; E238-Q600 HydrophobicContact CB-CB 4.12Å; E238-F604 HydrophobicContact CG-CB 4.15Å
239	G	92.3	Very high	92.9	Very high	28 Å²	28	57.1 Å²	57.1	29%	0.289	28%	0.283	S	S	.	.	H	α-helix	trans	-54.3	-36.7	-175.6	0	0	0	0	0	115.1	H237 Y243	H237-G239 PolarHBondContact CD2-N 2.84Å; H237-G239 PolarHBondContact O-N 3.05Å; G239-Y243 WeakPolarHBondContact O-CB 3.24Å; G239-Y243 PolarHBondContact O-N 3.08Å
240	R	94.5	Very high	92.8	Very high	132 Å²	132	58.9 Å²	58.9	50%	0.498	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-43.2	172.5	-178.2	175.4	178.4	178.4	2.8	111.5	A236 H237 E238 M244	A236-R240 HydrophobicContact CB-CG 4.41Å; H237-R240 PolarHBondContact NE2-N 3.35Å; H237-R240 PolarHBondContact O-N 2.74Å; E238-R240 VanDerWaalsContact C-N 3.27Å; E238-R240 PolarHBondContact O-N 3.08Å; E238-R240 VanDerWaalsContact O-N 3.11Å; R240-M244 HydrophobicContact CG-SD 4.08Å; R240-M244 WeakPolarHBondContact O-CB 3.31Å; R240-M244 VanDerWaalsContact O-CG 3.25Å; R240-M244 WeakPolarHBondContact O-CG 3.27Å; R240-M244 PolarHBondContact O-N 3.29Å
241	L	94.7	Very high	92.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.6	-42.7	176.2	-63	169.6	0	0	0	111.3	L229 A236 H237 E238 M244 R245 F604	L229-L241 HydrophobicContact CB-CD2 4.07Å; A236-L241 HydrophobicContact CB-CD2 3.95Å; A236-L241 HydrophobicContact CB-CG 4.09Å; A236-L241 WeakPolarHBondContact O-CD1 3.11Å; H237-L241 PolarHBondContact O-N 3.41Å; E238-L241 CarbonylContact O-C 3.48Å; E238-L241 WeakPolarHBondContact O-CA 3.38Å; E238-L241 WeakPolarHBondContact O-CB 3.44Å; E238-L241 PolarHBondContact O-N 3.13Å; L241-M244 PolarHBondContact O-N 3.42Å; L241-R245 VanDerWaalsContact O-CB 3.31Å; L241-R245 WeakPolarHBondContact O-CB 3.35Å; L241-R245 PolarHBondContact O-N 3.13Å; L241-F604 HydrophobicContact CB-CD1 4.06Å; L241-F604 HydrophobicContact CB-CD2 4.47Å; L241-F604 HydrophobicContact CB-CE1 3.56Å; L241-F604 HydrophobicContact CB-CE2 4.02Å; L241-F604 HydrophobicContact CB-CG 4.49Å; L241-F604 HydrophobicContact CB-CZ 3.54Å; L241-F604 HydrophobicContact CD1-CD1 4.02Å; L241-F604 HydrophobicContact CD1-CE1 4.04Å; L241-F604 HydrophobicContact CG-CE1 4.31Å
242	S	95.2	Very high	92.6	Very high	22 Å²	22	64.3 Å²	64.3	15%	0.154	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-42	174.6	-79.3	0	0	0	0	113.1	E238 S246 F604	E238-S242 PolarHBondContact O-N 3.34Å; E238-S242 WeakPolarHBondContact OE1-CB 3.47Å; E238-S242 PolarHBondContact OE1-OG 2.83Å; S242-S246 WeakPolarHBondContact O-CB 3.25Å; S242-S246 PolarHBondContact O-N 3.21Å; S242-S246 PolarHBondContact O-OG 3.14Å; S242-F604 WeakPolarHBondContact OG-CD2 3.22Å
243	Y	94.9	Very high	92.7	Very high	122 Å²	122	63.4 Å²	63.4	48%	0.478	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-46.8	171.2	175.9	-96.3	0	0	0	111.9	G239 S246 K247	G239-Y243 WeakPolarHBondContact O-CB 3.24Å; G239-Y243 PolarHBondContact O-N 3.08Å; Y243-S246 PolarHBondContact O-N 2.85Å; Y243-K247 HydrophobicContact CE1-CD 4.14Å; Y243-K247 PolarHBondContact O-N 3.34Å; Y243-K247 PolarHBondContact OH-NZ 3.08Å
244	M	94.4	Very high	92.7	Very high	43 Å²	43	59.9 Å²	59.9	21%	0.212	31%	0.308	C	S	.	.	H	α-helix	trans	-64.6	-40.3	179.3	-71.4	175.4	73.2	0	0	112.2	L229 Y233 R240 L241 K248	L229-M244 HydrophobicContact CD1-CB 3.91Å; L229-M244 HydrophobicContact CD2-CB 4.09Å; L229-M244 HydrophobicContact CD2-CE 3.9Å; Y233-M244 HydrophobicContact CD2-CE 4.06Å; Y233-M244 HydrophobicContact CE1-CE 4.22Å; Y233-M244 HydrophobicContact CE2-CE 3.63Å; R240-M244 HydrophobicContact CG-SD 4.08Å; R240-M244 WeakPolarHBondContact O-CB 3.31Å; R240-M244 VanDerWaalsContact O-CG 3.25Å; R240-M244 WeakPolarHBondContact O-CG 3.27Å; R240-M244 PolarHBondContact O-N 3.29Å; L241-M244 PolarHBondContact O-N 3.42Å; M244-K248 WeakPolarHBondContact O-CG 3.47Å; M244-K248 PolarHBondContact O-N 3.06Å
245	R	95.7	Very high	92.8	Very high	41 Å²	41	59.6 Å²	59.6	16%	0.155	30%	0.302	C	S	.	.	H	α-helix	trans	-56.6	-56.3	171.7	177.6	168.9	78	164.2	4.4	110.2	T226 L229 L241 K247 K248 V249 F604 D607	T226-R245 WeakPolarHBondContact OG1-CD 3.37Å; L229-R245 HydrophobicContact CD1-CB 4.04Å; L241-R245 VanDerWaalsContact O-CB 3.31Å; L241-R245 WeakPolarHBondContact O-CB 3.35Å; L241-R245 PolarHBondContact O-N 3.13Å; R245-K247 VanDerWaalsContact C-N 3.32Å; R245-K247 PolarHBondContact O-N 2.83Å; R245-K248 PolarHBondContact O-N 3.42Å; R245-V249 HydrophobicContact CG-CG1 4.4Å; R245-V249 WeakPolarHBondContact O-CG2 3.4Å; R245-V249 PolarHBondContact O-N 3.39Å; R245-F604 HydrophobicContact CB-CE2 4.19Å; R245-F604 HydrophobicContact CB-CZ 4.15Å; R245-D607 IonicContact CZ-OD2 3.89Å; R245-D607 VanDerWaalsContact CZ-OD2 3.22Å; R245-D607 IonicContact NH1-OD2 2.69Å; R245-D607 PolarHBondContact NH1-OD2 3.15Å; R245-D607 IonicContact NH2-OD2 2.61Å; R245-D607 PolarHBondContact NH2-OD2 3.26Å
246	S	94.3	Very high	92.9	Very high	69 Å²	69	61.2 Å²	61.2	48%	0.483	30%	0.298	S	S	.	.	H	α-helix	trans	-56.2	-43.7	-178	-57.1	0	0	0	0	112.3	S242 Y243 K248 S250	S242-S246 WeakPolarHBondContact O-CB 3.25Å; S242-S246 PolarHBondContact O-N 3.21Å; S242-S246 PolarHBondContact O-OG 3.14Å; Y243-S246 PolarHBondContact O-N 2.85Å; S246-K248 VanDerWaalsContact C-N 3.29Å; S246-K248 PolarHBondContact O-N 2.81Å; S246-S250 WeakPolarHBondContact O-CB 3.38Å; S246-S250 PolarHBondContact O-N 2.83Å
247	K	93.5	Very high	92.8	Very high	105 Å²	105	62 Å²	62	46%	0.457	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-32.5	177.3	-164.5	168.1	-170.1	165.6	0	112.9	Y243 R245 S250 Y409	Y243-K247 HydrophobicContact CE1-CD 4.14Å; Y243-K247 PolarHBondContact O-N 3.34Å; Y243-K247 PolarHBondContact OH-NZ 3.08Å; R245-K247 VanDerWaalsContact C-N 3.32Å; R245-K247 PolarHBondContact O-N 2.83Å; K247-S250 PolarHBondContact O-OG 3.47Å; K247-Y409 PolarHBondContact NZ-OH 2.75Å
248	K	92.5	Very high	92.4	Very high	96 Å²	96	56.2 Å²	56.2	42%	0.417	28%	0.275	S	S	.	.	H	α-helix	trans	-83.9	-40.9	179.3	-65.9	-66.6	-178.8	-175.2	0	113.5	I225 M244 R245 S246 N253 L486	I225-K248 HydrophobicContact CD1-CB 3.98Å; I225-K248 HydrophobicContact CG2-CB 4.09Å; M244-K248 WeakPolarHBondContact O-CG 3.47Å; M244-K248 PolarHBondContact O-N 3.06Å; R245-K248 PolarHBondContact O-N 3.42Å; S246-K248 VanDerWaalsContact C-N 3.29Å; S246-K248 PolarHBondContact O-N 2.81Å; K248-N253 PolarHBondContact O-ND2 3.06Å; K248-L486 HydrophobicContact CD-CD2 4.25Å
249	V	93.9	Very high	92	Very high	29 Å²	29	59 Å²	59	18%	0.176	29%	0.286	C	S	.	.	H	α-helix	trans	-81.1	-14.7	-180	-53.6	0	0	0	0	113.7	L221 I225 R245 N251 L254	L221-V249 HydrophobicContact CD2-CB 4.37Å; L221-V249 HydrophobicContact CD2-CG1 4.42Å; L221-V249 HydrophobicContact CG-CG1 4.22Å; I225-V249 HydrophobicContact CD1-CG1 3.8Å; R245-V249 HydrophobicContact CG-CG1 4.4Å; R245-V249 WeakPolarHBondContact O-CG2 3.4Å; R245-V249 PolarHBondContact O-N 3.39Å; V249-N251 PolarHBondContact O-N 3.4Å; V249-L254 WeakPolarHBondContact O-CD1 3.04Å
250	S	93.3	Very high	91.6	Very high	44 Å²	44	65.7 Å²	65.7	31%	0.308	31%	0.308	S	S	.	.			trans	-52.3	135.5	-177.6	64.4	0	0	0	0	113.6	S246 K247 C252 N253 L254	S246-S250 WeakPolarHBondContact O-CB 3.38Å; S246-S250 PolarHBondContact O-N 2.83Å; K247-S250 PolarHBondContact O-OG 3.47Å; S250-C252 PolarHBondContact O-N 3.38Å; S250-C252 VanDerWaalsContact O-N 3.08Å; S250-N253 WeakPolarHBondContact O-CA 3.24Å; S250-N253 WeakPolarHBondContact O-CB 3.44Å; S250-N253 PolarHBondContact O-N 3.41Å; S250-N253 WeakPolarHBondContact OG-CB 3.43Å; S250-L254 PolarHBondContact O-N 3.19Å
251	N	91.4	Very high	91	Very high	70 Å²	70	60.7 Å²	60.7	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-56.5	-31.1	-179.6	-52	74.5	0	0	0	112	V249 N253 L254 Y255 A458	V249-N251 PolarHBondContact O-N 3.4Å; N251-N253 PolarHBondContact O-N 2.84Å; N251-L254 PolarHBondContact O-N 3.08Å; N251-Y255 WeakPolarHBondContact O-CB 3.27Å; N251-Y255 PolarHBondContact O-N 2.94Å; N251-A458 HydrophobicContact CB-CB 3.73Å
252	C	90.3	Very high	90.2	Very high	67 Å²	67	61.8 Å²	61.8	45%	0.453	30%	0.301	S	S	.	.	H	α-helix	trans	-64	-36	173.4	-174.2	0	0	0	0	113	S250 R256	S250-C252 PolarHBondContact O-N 3.38Å; S250-C252 VanDerWaalsContact O-N 3.08Å; C252-R256 WeakPolarHBondContact O-CD 3.25Å; C252-R256 VanDerWaalsContact O-CG 3.26Å; C252-R256 WeakPolarHBondContact O-CG 3.25Å; C252-R256 PolarHBondContact O-N 3.41Å; C252-R256 VanDerWaalsContact SG-CZ 3.5Å
253	N	92.1	Very high	89.6	Confident	35 Å²	35	60.9 Å²	60.9	19%	0.187	30%	0.295	C	S	.	.	H	α-helix	trans	-71.3	-48.1	172.6	-176.2	60	0	0	0	110.9	K248 S250 N251 Y255 R256 L257	K248-N253 PolarHBondContact O-ND2 3.06Å; S250-N253 WeakPolarHBondContact O-CA 3.24Å; S250-N253 WeakPolarHBondContact O-CB 3.44Å; S250-N253 PolarHBondContact O-N 3.41Å; S250-N253 WeakPolarHBondContact OG-CB 3.43Å; N251-N253 PolarHBondContact O-N 2.84Å; N253-Y255 PolarHBondContact O-N 3Å; N253-R256 WeakPolarHBondContact O-CB 3.37Å; N253-R256 PolarHBondContact O-N 2.75Å; N253-R256 VanDerWaalsContact O-N 3.1Å; N253-L257 WeakPolarHBondContact O-CG 3.47Å; N253-L257 PolarHBondContact O-N 3.22Å; N253-L257 VanDerWaalsContact O-N 3.13Å
254	L	91.7	Very high	88.8	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-43.6	179.3	-61.3	178.5	0	0	0	112.3	L221 V249 S250 N251 R256 L257 G258 A458 V461 E462 L486	L221-L254 HydrophobicContact CD2-CD1 3.7Å; L221-L254 HydrophobicContact CD2-CD2 3.91Å; L221-L254 HydrophobicContact CD2-CG 4.4Å; V249-L254 WeakPolarHBondContact O-CD1 3.04Å; S250-L254 PolarHBondContact O-N 3.19Å; N251-L254 PolarHBondContact O-N 3.08Å; L254-R256 PolarHBondContact O-N 3.07Å; L254-L257 PolarHBondContact O-N 3.39Å; L254-L257 VanDerWaalsContact O-N 3.13Å; L254-G258 PolarHBondContact O-N 3.18Å; L254-A458 HydrophobicContact CB-CB 3.72Å; L254-A458 HydrophobicContact CD1-CB 4.41Å; L254-V461 HydrophobicContact CD2-CG1 4.29Å; L254-E462 HydrophobicContact CD1-CG 3.85Å; L254-E462 WeakPolarHBondContact CD1-OE1 3.29Å; L254-L486 HydrophobicContact CD2-CD1 4.4Å
255	Y	90.5	Very high	87.9	Confident	35 Å²	35	59.7 Å²	59.7	14%	0.137	31%	0.307	C	S	.	.	H	α-helix	trans	-50.9	-50.2	170	165.3	-104.3	0	0	0	112.4	N251 N253 L257 G258 K259 D454 I457	N251-Y255 WeakPolarHBondContact O-CB 3.27Å; N251-Y255 PolarHBondContact O-N 2.94Å; N253-Y255 PolarHBondContact O-N 3Å; Y255-L257 VanDerWaalsContact C-N 3.27Å; Y255-L257 PolarHBondContact O-N 3.15Å; Y255-G258 PolarHBondContact O-N 2.92Å; Y255-K259 HydrophobicContact CE1-CD 4.07Å; Y255-K259 HydrophobicContact CE2-CD 4.2Å; Y255-K259 WeakPolarHBondContact O-CB 3.42Å; Y255-K259 PolarHBondContact O-N 2.95Å; Y255-K259 PolarHBondContact OH-NZ 3.33Å; Y255-D454 HydrophobicContact CD2-CB 3.73Å; Y255-D454 HydrophobicContact CE2-CB 3.82Å; Y255-D454 WeakPolarHBondContact CE2-OD1 3.32Å; Y255-D454 HydrophobicContact CG-CB 4.11Å; Y255-D454 PolarHBondContact OH-OD1 2.88Å; Y255-I457 HydrophobicContact CD2-CB 4.04Å; Y255-I457 HydrophobicContact CD2-CD1 3.84Å; Y255-I457 HydrophobicContact CD2-CG2 4.11Å; Y255-I457 HydrophobicContact CE2-CD1 3.66Å
256	R	88.4	Confident	87	Confident	159 Å²	159	61.5 Å²	61.5	60%	0.6	31%	0.314	S	S	*	.	H	α-helix	trans	-61.4	-36.2	179.8	-72.7	165.5	178.8	160.6	-0.3	111.8	C252 N253 L254 K260	C252-R256 WeakPolarHBondContact O-CD 3.25Å; C252-R256 VanDerWaalsContact O-CG 3.26Å; C252-R256 WeakPolarHBondContact O-CG 3.25Å; C252-R256 PolarHBondContact O-N 3.41Å; C252-R256 VanDerWaalsContact SG-CZ 3.5Å; N253-R256 WeakPolarHBondContact O-CB 3.37Å; N253-R256 PolarHBondContact O-N 2.75Å; N253-R256 VanDerWaalsContact O-N 3.1Å; L254-R256 PolarHBondContact O-N 3.07Å; R256-K260 WeakPolarHBondContact O-CB 3.49Å; R256-K260 PolarHBondContact O-N 3.22Å
257	L	89.1	Confident	86.4	Confident	23 Å²	23	58.5 Å²	58.5	12%	0.12	29%	0.292	C	S	.	.	H	α-helix	trans	-73	-46.9	176.6	-58.1	179.7	0	0	0	112	N253 L254 Y255 K259 K260 K261 L486	N253-L257 WeakPolarHBondContact O-CG 3.47Å; N253-L257 PolarHBondContact O-N 3.22Å; N253-L257 VanDerWaalsContact O-N 3.13Å; L254-L257 PolarHBondContact O-N 3.39Å; L254-L257 VanDerWaalsContact O-N 3.13Å; Y255-L257 VanDerWaalsContact C-N 3.27Å; Y255-L257 PolarHBondContact O-N 3.15Å; L257-K259 PolarHBondContact O-N 2.77Å; L257-K260 WeakPolarHBondContact O-CB 3.34Å; L257-K260 PolarHBondContact O-N 2.83Å; L257-K261 PolarHBondContact O-N 2.8Å; L257-K261 VanDerWaalsContact O-N 3.14Å; L257-L486 HydrophobicContact CD1-CD1 3.95Å; L257-L486 HydrophobicContact CD1-CD2 3.91Å; L257-L486 HydrophobicContact CD1-CG 3.64Å
258	G	85.1	Confident	85.7	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-42	177.4	0	0	0	0	0	113	L254 Y255 K260 K261 G262 L263	L254-G258 PolarHBondContact O-N 3.18Å; Y255-G258 PolarHBondContact O-N 2.92Å; G258-K260 VanDerWaalsContact C-N 3.34Å; G258-K260 PolarHBondContact O-N 2.79Å; G258-K261 CarbonylContact O-C 2.99Å; G258-K261 PolarHBondContact O-N 2.85Å; G258-G262 PolarHBondContact O-N 2.9Å; G258-L263 PolarHBondContact O-N 3.17Å; G258-L263 VanDerWaalsContact O-N 3.08Å
259	K	84.1	Confident	85	Confident	119 Å²	119	52.2 Å²	52.2	52%	0.517	27%	0.27	S	S	.	.	H	α-helix	trans	-60.2	-41.4	172.5	-170.6	171.4	-168.8	167.7	0	111.8	Y255 L257 K261 G262	Y255-K259 HydrophobicContact CE1-CD 4.07Å; Y255-K259 HydrophobicContact CE2-CD 4.2Å; Y255-K259 WeakPolarHBondContact O-CB 3.42Å; Y255-K259 PolarHBondContact O-N 2.95Å; Y255-K259 PolarHBondContact OH-NZ 3.33Å; L257-K259 PolarHBondContact O-N 2.77Å; K259-K261 VanDerWaalsContact C-N 3.3Å; K259-K261 PolarHBondContact O-N 2.91Å; K259-G262 PolarHBondContact O-N 2.91Å; K259-G262 VanDerWaalsContact O-N 3.13Å
260	K	85.1	Confident	84	Confident	169 Å²	169	53.1 Å²	53.1	74%	0.735	28%	0.278	S	S	*	.	H	α-helix	trans	-65.8	-27.4	177	-173.7	-178.9	177.4	-173.4	0	113.5	R256 L257 G258	R256-K260 WeakPolarHBondContact O-CB 3.49Å; R256-K260 PolarHBondContact O-N 3.22Å; L257-K260 WeakPolarHBondContact O-CB 3.34Å; L257-K260 PolarHBondContact O-N 2.83Å; G258-K260 VanDerWaalsContact C-N 3.34Å; G258-K260 PolarHBondContact O-N 2.79Å
261	K	81.1	Confident	83.2	Confident	26 Å²	26	56 Å²	56	11%	0.113	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5.9	173.3	-71.4	-74.1	-163.6	-179.2	0	114	L257 G258 K259 L263 R266 D352 L355 M356 S483 L484	L257-K261 PolarHBondContact O-N 2.8Å; L257-K261 VanDerWaalsContact O-N 3.14Å; G258-K261 CarbonylContact O-C 2.99Å; G258-K261 PolarHBondContact O-N 2.85Å; K259-K261 VanDerWaalsContact C-N 3.3Å; K259-K261 PolarHBondContact O-N 2.91Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-L263 PolarHBondContact O-N 3.27Å; K261-R266 PolarHBondContact O-NH1 3.32Å; K261-D352 IonicContact NZ-OD1 3.16Å; K261-D352 PolarHBondContact NZ-OD1 2.82Å; K261-D352 IonicContact NZ-OD2 3.55Å; K261-L355 HydrophobicContact CB-CD1 4.26Å; K261-L355 HydrophobicContact CD-CB 4.38Å; K261-L355 HydrophobicContact CD-CD1 3.97Å; K261-L355 HydrophobicContact CG-CD1 4.15Å; K261-M356 HydrophobicContact CD-SD 4.47Å; K261-S483 WeakPolarHBondContact CE-O 3.47Å; K261-S483 PolarHBondContact NZ-O 2.88Å; K261-L484 HydrophobicContact CG-CD2 3.86Å
262	G	77.7	Confident	82.1	Confident	24 Å²	24	58.9 Å²	58.9	25%	0.247	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	31.4	178.3	0	0	0	0	0	114.4	G258 K259 P264 S265 R266	G258-G262 PolarHBondContact O-N 2.9Å; K259-G262 PolarHBondContact O-N 2.91Å; K259-G262 VanDerWaalsContact O-N 3.13Å; G262-P264 VanDerWaalsContact C-CD 3.48Å; G262-S265 PolarHBondContact O-OG 3Å; G262-R266 PolarHBondContact O-NH1 3.38Å
263	L	81.6	Confident	81.1	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.016	30%	0.296	C	S	.	.			trans	-60.4	-40.5	173.7	-66.6	-175.1	0	0	0	114.3	G258 K261 S265 R266 M267 L355 V461 L464	G258-L263 PolarHBondContact O-N 3.17Å; G258-L263 VanDerWaalsContact O-N 3.08Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-L263 PolarHBondContact O-N 3.27Å; L263-S265 PolarHBondContact O-N 2.88Å; L263-S265 VanDerWaalsContact O-N 3.13Å; L263-R266 PolarHBondContact O-N 3.24Å; L263-M267 PolarHBondContact O-N 2.56Å; L263-L355 HydrophobicContact CD2-CD2 3.61Å; L263-V461 HydrophobicContact CD1-CG2 3.49Å; L263-V461 VanDerWaalsContact CD1-CG2 3.49Å; L263-L464 HydrophobicContact CD1-CD1 3.89Å; L263-L464 HydrophobicContact CD2-CD1 3.6Å; L263-L464 HydrophobicContact CG-CD1 4.44Å
264	P	78.3	Confident	80.1	Confident	39 Å²	39	60.9 Å²	60.9	25%	0.253	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-56	-36.1	-175.8	-28.2	36.3	0	0	0	114	G262 R266 I452 I457	G262-P264 VanDerWaalsContact C-CD 3.48Å; P264-R266 PolarHBondContact O-N 2.94Å; P264-I452 HydrophobicContact CB-CD1 4.19Å; P264-I452 VanDerWaalsContact O-CD1 3.27Å; P264-I452 WeakPolarHBondContact O-CD1 3.42Å; P264-I457 HydrophobicContact CB-CD1 4.39Å; P264-I457 HydrophobicContact CG-CD1 3.77Å; P264-I457 HydrophobicContact CG-CG1 4.11Å; P264-I457 HydrophobicContact CG-CG2 4.44Å
265	S	75.8	Confident	78.9	Confident	100 Å²	100	66.1 Å²	66.1	70%	0.699	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-75.3	7.9	176.9	43	0	0	0	0	115.1	G262 L263	G262-S265 PolarHBondContact O-OG 3Å; L263-S265 PolarHBondContact O-N 2.88Å; L263-S265 VanDerWaalsContact O-N 3.13Å
266	R	77.9	Confident	77.7	Confident	80 Å²	80	67.6 Å²	67.6	30%	0.302	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-131.5	-3.9	179.5	-60.9	-167.3	-175.8	97.3	-4.9	114.6	L199 K261 G262 L263 P264 L355	L199-R266 HydrophobicContact CD1-CB 4.49Å; L199-R266 HydrophobicContact CD2-CB 4.21Å; K261-R266 PolarHBondContact O-NH1 3.32Å; G262-R266 PolarHBondContact O-NH1 3.38Å; L263-R266 PolarHBondContact O-N 3.24Å; P264-R266 PolarHBondContact O-N 2.94Å; R266-L355 PolarHBondContact NH1-O 3.06Å; R266-L355 PolarHBondContact NH2-O 2.86Å
267	M	80.2	Confident	76.6	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.03	34%	0.342	C	S	.	.			trans	-78.7	150.1	-179.8	-68.8	171.9	65.7	0	0	110.8	L199 L201 L263 V269 Q450 I452 S456 I457 C460	L199-M267 HydrophobicContact CD2-CG 4.35Å; L199-M267 WeakPolarHBondContact O-CA 3.32Å; L201-M267 HydrophobicContact CD1-CE 3.82Å; L201-M267 HydrophobicContact CD2-CE 4.16Å; L201-M267 HydrophobicContact CG-CE 3.93Å; L263-M267 PolarHBondContact O-N 2.56Å; M267-V269 HydrophobicContact CB-CG2 3.85Å; M267-Q450 PolarHBondContact O-OE1 2.93Å; M267-I452 HydrophobicContact CB-CD1 4.15Å; M267-I452 HydrophobicContact CE-CG2 3.94Å; M267-I452 HydrophobicContact SD-CD1 4.34Å; M267-I452 HydrophobicContact SD-CG2 4.2Å; M267-S456 WeakPolarHBondContact CE-O 3.5Å; M267-I457 HydrophobicContact SD-CG1 3.89Å; M267-C460 HydrophobicContact CE-CB 3.87Å; M267-C460 HydrophobicContact SD-CB 4.08Å
268	V	79.6	Confident	75.5	Confident	53 Å²	53	68.5 Å²	68.5	32%	0.321	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-104.1	109.5	172.1	-175.3	0	0	0	0	107.6	L196 L199 T200 L201 A204	L196-V268 HydrophobicContact CD1-CG2 4.47Å; L199-V268 PolarHBondContact O-N 3.3Å; T200-V268 HydrophobicContact CG2-CB 4.45Å; L201-V268 PolarHBondContact N-O 2.88Å; A204-V268 HydrophobicContact CB-CG1 4.07Å
269	V	77.7	Confident	74.3	Confident	15 Å²	15	73.1 Å²	73.1	9%	0.091	39%	0.385	C	S	.	.			trans	-119.9	-24	-167.8	-176.5	0	0	0	0	112.9	L201 N203 M267 I452	L201-V269 HydrophobicContact CD1-CB 4.18Å; L201-V269 HydrophobicContact CD1-CG1 3.89Å; L201-V269 HydrophobicContact CD1-CG2 3.68Å; N203-V269 PolarHBondContact ND2-O 3.47Å; N203-V269 PolarHBondContact OD1-O 2.94Å; M267-V269 HydrophobicContact CB-CG2 3.85Å; V269-I452 HydrophobicContact CG2-CD1 3.73Å; V269-I452 HydrophobicContact CG2-CG1 3.88Å; V269-I452 HydrophobicContact CG2-CG2 4.39Å
270	S	73.4	Confident	73.3	Confident	49 Å²	49	69.8 Å²	69.8	34%	0.343	38%	0.376	S	S	.	.	S	Bend	trans	-100.2	151.5	176.9	52.4	0	0	0	0	111.5	N277	S270-N277 WeakPolarHBondContact CB-ND2 3.33Å; S270-N277 PolarHBondContact OG-ND2 2.61Å
271	I	75.8	Confident	71.7	Confident	103 Å²	103	67.9 Å²	67.9	53%	0.528	38%	0.381	S	S	.	.			trans	-59.8	135.9	167.9	-57.9	177.3	0	0	0	108.7	N203 A204 D273 N277	N203-I271 WeakPolarHBondContact O-CG1 3.47Å; A204-I271 WeakPolarHBondContact O-CA 3.43Å; I271-D273 PolarHBondContact O-N 2.73Å; I271-N277 PolarHBondContact O-ND2 2.95Å
272	F	69.3	Low	69.9	Low	131 Å²	131	70.7 Å²	70.7	58%	0.575	42%	0.417	S	S	*	.			trans	-69.4	97.5	178.5	179.8	-107	0	0	0	111.6	P274 W278	F272-P274 HydrophobicContact CD1-CG 4.43Å; F272-P274 HydrophobicContact CE1-CG 3.77Å; F272-P274 HydrophobicContact CZ-CG 4.12Å; F272-W278 HydrophobicContact CE2-CB 3.91Å; F272-W278 AromaticContact CE2-CD1 3.85Å; F272-W278 HydrophobicContact CE2-CG 4.28Å; F272-W278 HydrophobicContact CZ-CB 4.06Å; F272-W278 AromaticContact CZ-CD1 3.72Å; F272-W278 HydrophobicContact CZ-CG 4.18Å
273	D	68.8	Low	68.8	Low	76 Å²	76	76.8 Å²	76.8	41%	0.406	43%	0.434	S	S	.	.			trans	-108.9	107.5	172.9	-171.6	22.2	0	0	0	110	I271 P275 V276 N277	I271-D273 PolarHBondContact O-N 2.73Å; D273-P275 VanDerWaalsContact OD1-CD 3.28Å; D273-P275 WeakPolarHBondContact OD1-CD 3.41Å; D273-P275 WeakPolarHBondContact OD1-CG 3.29Å; D273-V276 PolarHBondContact O-N 3.17Å; D273-V276 VanDerWaalsContact O-N 3.08Å; D273-V276 WeakPolarHBondContact OD2-CG2 3.29Å; D273-N277 PolarHBondContact O-N 2.84Å
274	P	70.9	Confident	67.5	Low	69 Å²	69	81.4 Å²	81.4	45%	0.448	46%	0.462	S	S	.	.	H	α-helix	trans	-50.7	-46	-175.4	-27.2	33.5	0	0	0	116.6	F272 V276 W278	F272-P274 HydrophobicContact CD1-CG 4.43Å; F272-P274 HydrophobicContact CE1-CG 3.77Å; F272-P274 HydrophobicContact CZ-CG 4.12Å; P274-V276 PolarHBondContact O-N 3.37Å; P274-W278 HydrophobicContact CB-CB 4.48Å; P274-W278 WeakPolarHBondContact O-CB 3.46Å; P274-W278 PolarHBondContact O-N 2.97Å
275	P	65.9	Low	66.5	Low	109 Å²	109	83 Å²	83	71%	0.708	47%	0.471	S	S	*	.	H	α-helix	trans	-67	-12.9	178.4	25.5	-36.8	0	0	0	115.7	D273	D273-P275 VanDerWaalsContact OD1-CD 3.28Å; D273-P275 WeakPolarHBondContact OD1-CD 3.41Å; D273-P275 WeakPolarHBondContact OD1-CG 3.29Å
276	V	64.9	Low	65	Low	66 Å²	66	84.6 Å²	84.6	40%	0.4	47%	0.471	S	S	.	.	H	α-helix	trans	-117.7	-36.9	-175.4	-172.5	0	0	0	0	112.3	D273 P274	D273-V276 PolarHBondContact O-N 3.17Å; D273-V276 VanDerWaalsContact O-N 3.08Å; D273-V276 WeakPolarHBondContact OD2-CG2 3.29Å; P274-V276 PolarHBondContact O-N 3.37Å
277	N	65.8	Low	63.4	Low	60 Å²	60	87.8 Å²	87.8	32%	0.321	49%	0.49	S	S	.	.	H	α-helix	trans	-115.2	-9.4	-167.2	-59.6	11.6	0	0	0	114.1	S270 I271 D273	S270-N277 WeakPolarHBondContact CB-ND2 3.33Å; S270-N277 PolarHBondContact OG-ND2 2.61Å; I271-N277 PolarHBondContact O-ND2 2.95Å; D273-N277 PolarHBondContact O-N 2.84Å
278	W	67	Low	61.3	Low	141 Å²	141	94 Å²	94	53%	0.534	52%	0.523	S	S	.	.			trans	-97.1	124.4	-177.1	-175.9	84.9	0	0	0	111.9	F272 P274 P280	F272-W278 HydrophobicContact CE2-CB 3.91Å; F272-W278 AromaticContact CE2-CD1 3.85Å; F272-W278 HydrophobicContact CE2-CG 4.28Å; F272-W278 HydrophobicContact CZ-CB 4.06Å; F272-W278 AromaticContact CZ-CD1 3.72Å; F272-W278 HydrophobicContact CZ-CG 4.18Å; P274-W278 HydrophobicContact CB-CB 4.48Å; P274-W278 WeakPolarHBondContact O-CB 3.46Å; P274-W278 PolarHBondContact O-N 2.97Å; W278-P280 HydrophobicContact CH2-CB 3.61Å; W278-P280 HydrophobicContact CH2-CG 3.94Å; W278-P280 HydrophobicContact CZ2-CB 4.17Å; W278-P280 HydrophobicContact CZ3-CB 3.97Å; W278-P280 HydrophobicContact CZ3-CG 3.75Å
279	L	59.5	Low	59.6	Low	97 Å²	97	100.9 Å²	100.9	51%	0.508	55%	0.549	S	S	.	.			trans	-113.7	131.4	169	-63.4	176.4	0	0	0	109.1	Y283 V285	L279-Y283 HydrophobicContact CD2-CD1 4.28Å; L279-V285 HydrophobicContact CD1-CG2 4.31Å; L279-V285 HydrophobicContact CD2-CG2 3.94Å
280	P	63.3	Low	57.7	Low	49 Å²	49	104.4 Å²	104.4	32%	0.318	57%	0.574	S	S	.	*			trans	-62.3	142.1	175.2	5.6	-5.8	0	0	0	111.1	W278 G282 Y283	W278-P280 HydrophobicContact CH2-CB 3.61Å; W278-P280 HydrophobicContact CH2-CG 3.94Å; W278-P280 HydrophobicContact CZ2-CB 4.17Å; W278-P280 HydrophobicContact CZ3-CB 3.97Å; W278-P280 HydrophobicContact CZ3-CG 3.75Å; P280-G282 PolarHBondContact O-N 3.25Å; P280-Y283 HydrophobicContact CG-CG 4.2Å; P280-Y283 WeakPolarHBondContact O-CB 3.34Å; P280-Y283 PolarHBondContact O-N 3.32Å
281	P	51.3	Low	56	Low	130 Å²	130	107.3 Å²	107.3	84%	0.844	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	128.2	176	-28	35.8	0	0	0	112.4	Y283	P281-Y283 VanDerWaalsContact C-N 3.33Å
282	G	43.9	Very low	54	Low	84 Å²	84	108.4 Å²	108.4	87%	0.866	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.8	-12.8	-175.5	0	0	0	0	0	115.2	P280 V284	P280-G282 PolarHBondContact O-N 3.25Å; G282-V284 PolarHBondContact O-N 3.4Å
283	Y	53.5	Low	52.4	Low	152 Å²	152	109.3 Å²	109.3	60%	0.596	61%	0.608	S	S	*	*			trans	-78.1	122.3	174.1	-164.3	-96	0	0	0	110.7	L279 P280 P281 V285	L279-Y283 HydrophobicContact CD2-CD1 4.28Å; P280-Y283 HydrophobicContact CG-CG 4.2Å; P280-Y283 WeakPolarHBondContact O-CB 3.34Å; P280-Y283 PolarHBondContact O-N 3.32Å; P281-Y283 VanDerWaalsContact C-N 3.33Å; Y283-V285 HydrophobicContact CE1-CG2 4.34Å
284	V	54.1	Low	50.8	Low	101 Å²	101	112.8 Å²	112.8	61%	0.612	62%	0.62	S	S	*	*			trans	-110.6	124.5	173	179	0	0	0	0	107.7	G282 N286	G282-V284 PolarHBondContact O-N 3.4Å; V284-N286 PolarHBondContact O-N 3.02Å
285	V	58.3	Low	48.9	Very low	73 Å²	73	121.2 Å²	121.2	44%	0.442	64%	0.643	S	S	.	*			trans	-66.9	104.2	166.7	-178.6	0	0	0	0	107.1	L279 Y283 Q287	L279-V285 HydrophobicContact CD1-CG2 4.31Å; L279-V285 HydrophobicContact CD2-CG2 3.94Å; Y283-V285 HydrophobicContact CE1-CG2 4.34Å; V285-Q287 PolarHBondContact O-N 2.7Å
286	N	44.1	Very low	47.4	Very low	132 Å²	132	125.4 Å²	125.4	71%	0.706	65%	0.653	S	S	*	*			trans	-62.3	123.3	174.7	-79.2	-34.6	0	0	0	108.9	V284 D288	V284-N286 PolarHBondContact O-N 3.02Å; N286-D288 VanDerWaalsContact C-N 3.26Å; N286-D288 PolarHBondContact O-N 2.91Å
287	Q	44.3	Very low	45.7	Very low	147 Å²	147	131.2 Å²	131.2	69%	0.687	67%	0.673	S	S	*	*			trans	-72.9	83.5	173.2	-71	-175.5	-16.2	0	0	109.6	V285 K289	V285-Q287 PolarHBondContact O-N 2.7Å; Q287-K289 PolarHBondContact O-N 3.43Å
288	D	36.4	Very low	44.1	Very low	137 Å²	137	136.2 Å²	136.2	73%	0.733	70%	0.699	S	S	*	*			trans	-60.5	103.6	166.5	-89.4	-15.7	0	0	0	108.9	N286 S290	N286-D288 VanDerWaalsContact C-N 3.26Å; N286-D288 PolarHBondContact O-N 2.91Å; D288-S290 PolarHBondContact O-N 3.32Å; D288-S290 PolarHBondContact O-OG 2.83Å
289	K	42.9	Very low	42.7	Very low	197 Å²	197	138.7 Å²	138.7	86%	0.857	72%	0.717	S	S	*	*			trans	-65.3	79.3	172.1	-67.8	-175	178.1	-176.4	0	109.5	Q287 N291	Q287-K289 PolarHBondContact O-N 3.43Å; K289-N291 PolarHBondContact O-N 2.78Å
290	S	37.6	Very low	41.6	Very low	89 Å²	89	142.3 Å²	142.3	62%	0.622	73%	0.734	S	S	*	*			trans	-82.8	81.8	-161.2	27.8	0	0	0	0	112.5	D288 T292	D288-S290 PolarHBondContact O-N 3.32Å; D288-S290 PolarHBondContact O-OG 2.83Å; S290-T292 PolarHBondContact O-N 3.24Å
291	N	39.3	Very low	40	Very low	110 Å²	110	146.8 Å²	146.8	59%	0.588	76%	0.76	S	S	*	*	S	Bend	trans	58.6	41	152.7	-58.5	-65.7	0	0	0	117.9	K289 K294	K289-N291 PolarHBondContact O-N 2.78Å; N291-K294 PolarHBondContact OD1-NZ 3.35Å
292	T	33.9	Very low	39.1	Very low	127 Å²	127	150.6 Å²	150.6	78%	0.779	76%	0.763	S	S	*	*	S	Bend	trans	-85.7	-36.2	161	41	0	0	0	0	113.1	S290 K294	S290-T292 PolarHBondContact O-N 3.24Å; T292-K294 PolarHBondContact O-N 3.03Å
293	D	35.3	Very low	38.3	Very low	149 Å²	149	153.7 Å²	153.7	80%	0.797	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	16.4	-175.5	-66.3	-24.5	0	0	0	115.5
294	K	34.3	Very low	37.1	Very low	149 Å²	149	152 Å²	152	65%	0.648	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.2	7.7	-168.7	-101.1	-177.7	-175.2	166.3	0	116.9	N291 T292	N291-K294 PolarHBondContact OD1-NZ 3.35Å; T292-K294 PolarHBondContact O-N 3.03Å
295	W	31.1	Very low	35.8	Very low	246 Å²	246	156 Å²	156	93%	0.932	78%	0.784	S	S	*	*	S	Bend	trans	-124.9	-1.3	177.5	-82.8	-35.5	0	0	0	116.8
296	E	34.5	Very low	34.4	Very low	197 Å²	197	160.8 Å²	160.8	92%	0.921	81%	0.806	S	S	*	*	S	Bend	trans	-111.8	23.6	179.9	-62.3	-163.1	149.7	0	0	114.5
297	K	30.6	Very low	33.6	Very low	189 Å²	189	157.9 Å²	157.9	82%	0.822	80%	0.8	S	S	*	*	S	Bend	trans	-131.1	1.7	-175.1	-120.3	173.7	-174	170.8	0	118.5
298	D	31.1	Very low	32.9	Very low	164 Å²	164	158.8 Å²	158.8	88%	0.877	81%	0.81	S	S	*	*	S	Bend	trans	-98.9	-3.1	-178.6	-81	-20.6	0	0	0	115.2
299	E	38.3	Very low	32.4	Very low	193 Å²	193	155.5 Å²	155.5	90%	0.902	81%	0.808	S	S	*	*	S	Bend	trans	-117.3	12.1	-175.9	-144	177.1	-155.3	0	0	116.4
300	M	35.7	Very low	31.7	Very low	174 Å²	174	155.3 Å²	155.3	86%	0.857	81%	0.807	S	S	*	*	S	Bend	trans	-151	63.1	174.8	-162.5	121.6	145.1	0	0	116.5
301	T	30.7	Very low	31.3	Very low	142 Å²	142	156.5 Å²	156.5	87%	0.871	81%	0.806	S	S	*	*			trans	-171.2	97.4	130.5	27.3	0	0	0	0	111.4
302	K	31.9	Very low	30.7	Very low	210 Å²	210	157.1 Å²	157.1	91%	0.913	81%	0.809	S	S	*	*			trans	-89.9	98.7	146.4	-86.2	178	176.6	169.2	0	107.6
303	D	26.8	Very low	30.5	Very low	150 Å²	150	158.9 Å²	158.9	80%	0.802	81%	0.808	S	S	*	*			trans	-168	165.8	133.9	-123.1	-35.1	0	0	0	113.3
304	C	27	Very low	30.2	Very low	116 Å²	116	157.9 Å²	157.9	78%	0.784	80%	0.803	S	S	*	*			trans	59.2	72.8	166.1	-64.2	0	0	0	0	117.8
305	M	28.3	Very low	30	Very low	186 Å²	186	160.9 Å²	160.9	92%	0.916	81%	0.812	S	S	*	*			trans	-63.6	142	137	-73.4	-177.6	168.4	0	0	109.4
306	L	28.3	Very low	30	Very low	173 Å²	173	157.8 Å²	157.8	91%	0.906	81%	0.808	S	S	*	*				179.8	157.3	129.2	-101.1	169.4	0	0	0	114
307	A	27.9	Very low	29.7	Very low	71 Å²	71	158 Å²	158	59%	0.587	81%	0.809	S	S	*	*			trans	71	105.6	159.5	0	0	0	0	0	120.6
308	N	29	Very low	29.5	Very low	166 Å²	166	157.6 Å²	157.6	89%	0.888	81%	0.81	S	S	*	*			trans	57.4	132.1	132.4	-47.7	-16.9	0	0	0	120.3
309	G	26.6	Very low	29.3	Very low	68 Å²	68	156.9 Å²	156.9	70%	0.701	81%	0.806	S	S	*	*			cis	126.8	143	-4.9	0	0	0	0	0	113.7
310	K	28.5	Very low	28.9	Very low	193 Å²	193	155.8 Å²	155.8	84%	0.839	80%	0.801	S	S	*	*			trans	70.6	151	-176.6	-61.8	-167.3	138.7	-130.9	0	114.4
311	L	27.3	Very low	28.5	Very low	113 Å²	113	155.8 Å²	155.8	59%	0.592	80%	0.799	S	S	*	*			cis	-153.1	161.5	-7.7	-142.4	75.3	0	0	0	108.6
312	D	28.6	Very low	28.3	Very low	123 Å²	123	157.2 Å²	157.2	66%	0.658	80%	0.796	S	S	*	*			trans	24.3	157.9	141.5	-49.3	-9.6	0	0	0	120.8
313	E	29.2	Very low	28.3	Very low	164 Å²	164	154.6 Å²	154.6	77%	0.766	79%	0.787	S	S	*	*			cis	-154.3	170.1	16.8	-144.9	153.8	-144.4	0	0	110.2
314	D	29	Very low	28.2	Very low	129 Å²	129	152.8 Å²	152.8	69%	0.69	79%	0.786	S	S	*	*			trans	-79.2	169.1	-174.9	-51.6	-73.3	0	0	0	114.1
315	Y	29	Very low	28.3	Very low	211 Å²	211	154.6 Å²	154.6	83%	0.827	79%	0.787	S	S	*	*				173.4	152.4	107	-91.5	-65.4	0	0	0	113.2
316	E	31.3	Very low	28.1	Very low	181 Å²	181	153.7 Å²	153.7	85%	0.846	78%	0.782	S	S	*	*			trans	-92.7	164.1	179	-57.9	168.3	144	0	0	111
317	E	28	Very low	27.8	Very low	201 Å²	201	157 Å²	157	94%	0.939	78%	0.783	S	S	*	*				-167.5	162.9	125.5	-108.2	170.6	-166.6	0	0	110.6
318	E	27.1	Very low	27.6	Very low	181 Å²	181	164.8 Å²	164.8	85%	0.846	80%	0.797	S	S	*	*			trans	-109.7	-156.4	-163.4	-58.8	-176.9	105.1	0	0	112.9
319	D	27.2	Very low	27.4	Very low	150 Å²	150	160.8 Å²	160.8	80%	0.802	79%	0.787	S	S	*	*			trans	98.8	161.9	157.1	-61.1	-12	0	0	0	121.2
320	E	29.6	Very low	27.4	Very low	169 Å²	169	163.3 Å²	163.3	79%	0.79	79%	0.791	S	S	*	*			trans	-123.2	-161.4	-131.7	-49.6	-171.2	105.6	0	0	115.1
321	E	27.9	Very low	27.4	Very low	174 Å²	174	163.7 Å²	163.7	81%	0.813	79%	0.793	S	S	*	*			trans	71.5	147.7	162.5	-65	-178.5	173.7	0	0	117.9
322	E	25.7	Very low	27.6	Very low	173 Å²	173	167.5 Å²	167.5	81%	0.808	81%	0.808	S	S	*	*			cis	-151.6	-165.3	-11.1	-136.2	-167.6	172.8	0	0	111.8
323	E	31.4	Very low	27.6	Very low	155 Å²	155	170.9 Å²	170.9	72%	0.724	82%	0.82	S	S	*	*			trans	-66.2	158.7	-172.3	-63.5	-165.1	118.2	0	0	117.7
324	S	24.6	Very low	27.9	Very low	111 Å²	111	166.8 Å²	166.8	78%	0.776	81%	0.813	S	S	*	*			trans	-153.4	104.5	139.4	-159.2	0	0	0	0	113.5
325	L	29.6	Very low	27.9	Very low	154 Å²	154	167 Å²	167	81%	0.806	81%	0.814	S	S	*	*			trans	-91.6	117.6	170	-79.6	167.6	0	0	0	110.9
326	M	23.7	Very low	28.5	Very low	167 Å²	167	166.2 Å²	166.2	82%	0.823	81%	0.812	S	S	*	*			trans	-132.4	94.2	178.6	-86.1	-80	-90.1	0	0	112
327	W	22.2	Very low	28.7	Very low	243 Å²	243	164.7 Å²	164.7	92%	0.92	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.8	128	174.9	-170.1	-86.7	0	0	0	110.9
328	R	24.7	Very low	29.1	Very low	234 Å²	234	160 Å²	160	88%	0.883	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-99.2	133	170.5	-78.4	-169.4	174.8	-172.6	0.8	110.7
329	A	23.9	Very low	30	Very low	82 Å²	82	156.4 Å²	156.4	68%	0.678	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-74.6	156.1	174.4	0	0	0	0	0	111.8
330	P	27.6	Very low	30.7	Very low	122 Å²	122	153.6 Å²	153.6	79%	0.792	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-62.2	157.5	174.9	-19.8	32.7	0	0	0	112.7
331	K	27.5	Very low	31.6	Very low	201 Å²	201	147.2 Å²	147.2	87%	0.874	72%	0.724	S	S	*	*			trans	-115.5	130.9	160.9	-79	-172	168.5	-165.9	0	108.9
332	E	32.5	Very low	33	Very low	193 Å²	193	144.9 Å²	144.9	90%	0.902	71%	0.713	S	S	*	*			trans	-91.8	99.1	172.5	-62.5	175.5	139.9	0	0	109.6
333	E	28.1	Very low	34.5	Very low	194 Å²	194	140.4 Å²	140.4	91%	0.907	69%	0.69	S	S	*	*			trans	-136.7	133.8	152	-69.2	-169.7	153.7	0	0	106.4
334	A	36.2	Very low	35.3	Very low	77 Å²	77	133.9 Å²	133.9	64%	0.636	66%	0.66	S	S	*	*			trans	-114.9	99.7	-160.8	0	0	0	0	0	113.1	Y336	A334-Y336 HydrophobicContact CB-CE2 4.26Å
335	D	29	Very low	36.8	Very low	133 Å²	133	133.2 Å²	133.2	71%	0.711	64%	0.644	S	S	*	*			trans	-107.5	90.1	170	-85.1	-44.1	0	0	0	110.3	E337 D338	D335-E337 PolarHBondContact O-N 3Å; D335-D338 PolarHBondContact O-N 2.99Å; D335-D338 VanDerWaalsContact O-N 3.08Å
336	Y	40.3	Very low	38.2	Very low	196 Å²	196	129 Å²	129	77%	0.769	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	5.4	-171.5	-75.6	-76.8	0	0	0	117.3	A334	A334-Y336 HydrophobicContact CB-CE2 4.26Å
337	E	36.8	Very low	39.7	Very low	148 Å²	148	121 Å²	121	69%	0.692	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	-22.9	171.3	-71.5	-162.8	178.3	0	0	114.1	D335	D335-E337 PolarHBondContact O-N 3Å
338	D	36.2	Very low	41.5	Very low	102 Å²	102	111.4 Å²	111.4	55%	0.545	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-26.9	-178.6	-101.3	2.1	0	0	0	112.6	D335 F340 L341 E342	D335-D338 PolarHBondContact O-N 2.99Å; D335-D338 VanDerWaalsContact O-N 3.08Å; D338-F340 PolarHBondContact O-N 3.27Å; D338-F340 VanDerWaalsContact O-N 3.14Å; D338-L341 WeakPolarHBondContact O-CB 3.49Å; D338-L341 PolarHBondContact O-N 3.3Å; D338-E342 PolarHBondContact O-N 2.93Å; D338-E342 VanDerWaalsContact O-N 3.13Å
339	D	46.2	Very low	43.1	Very low	106 Å²	106	106.6 Å²	106.6	57%	0.567	53%	0.529	S	S	*	.	H	α-helix	trans	-50.7	-38.3	174.7	-75.1	-15	0	0	0	112.8	Y343	D339-Y343 WeakPolarHBondContact O-CB 3.31Å; D339-Y343 PolarHBondContact O-N 3.04Å; D339-Y343 VanDerWaalsContact O-N 3.08Å
340	F	40.8	Very low	44.8	Very low	91 Å²	91	105.8 Å²	105.8	40%	0.399	51%	0.511	S	S	.	.	H	α-helix	trans	-65.6	-37.7	176.7	-91.5	-89.6	0	0	0	112.6	Y183 D338 D344	Y183-F340 HydrophobicContact CD2-CZ 4.26Å; Y183-F340 HydrophobicContact CE1-CE1 4.31Å; Y183-F340 HydrophobicContact CE1-CZ 4.42Å; Y183-F340 HydrophobicContact CE2-CE1 4.12Å; Y183-F340 HydrophobicContact CE2-CE2 4.2Å; Y183-F340 AromaticContact CE2-CZ 3.44Å; Y183-F340 HydrophobicContact CE2-CZ 3.44Å; Y183-F340 VanDerWaalsContact CE2-CZ 3.44Å; Y183-F340 AromaticContact CZ-CE1 3.74Å; Y183-F340 AromaticContact CZ-CZ 3.54Å; Y183-F340 WeakPolarHBondContact OH-CZ 3.42Å; D338-F340 PolarHBondContact O-N 3.27Å; D338-F340 VanDerWaalsContact O-N 3.14Å; F340-D344 PolarHBondContact O-N 3.34Å; F340-D344 VanDerWaalsContact O-N 3.15Å
341	L	49.6	Very low	46.2	Very low	35 Å²	35	100 Å²	100	18%	0.183	47%	0.473	C	S	.	.	H	α-helix	trans	-77.3	-31.7	-175.7	-63.8	179.4	0	0	0	111.5	D338 Q345 E536	D338-L341 WeakPolarHBondContact O-CB 3.49Å; D338-L341 PolarHBondContact O-N 3.3Å; L341-Q345 WeakPolarHBondContact O-CB 3.48Å; L341-Q345 VanDerWaalsContact O-CG 3.26Å; L341-Q345 WeakPolarHBondContact O-CG 3.36Å; L341-Q345 PolarHBondContact O-NE2 2.9Å; L341-E536 HydrophobicContact CD2-CG 4.12Å
342	E	57	Low	47.7	Very low	125 Å²	125	93 Å²	93	58%	0.584	45%	0.445	S	S	*	.	H	α-helix	trans	-70.1	-50.7	169.9	-170.3	153.9	-122	0	0	110.5	D338 D344 Q345 E346	D338-E342 PolarHBondContact O-N 2.93Å; D338-E342 VanDerWaalsContact O-N 3.13Å; E342-D344 PolarHBondContact O-N 3.33Å; E342-Q345 PolarHBondContact O-N 2.94Å; E342-Q345 VanDerWaalsContact O-N 3.15Å; E342-E346 HydrophobicContact CG-CG 3.96Å; E342-E346 WeakPolarHBondContact O-CB 3.48Å; E342-E346 WeakPolarHBondContact O-CG 3.47Å; E342-E346 PolarHBondContact O-N 3.42Å
343	Y	55.8	Low	48.9	Very low	80 Å²	80	87.9 Å²	87.9	31%	0.314	42%	0.424	S	S	.	.	H	α-helix	trans	-54.2	-50.8	-179.3	179.7	-97	0	0	0	113.8	L188 D339 Q345 E346 H347	L188-Y343 HydrophobicContact CD2-CD2 4.45Å; D339-Y343 WeakPolarHBondContact O-CB 3.31Å; D339-Y343 PolarHBondContact O-N 3.04Å; D339-Y343 VanDerWaalsContact O-N 3.08Å; Y343-Q345 VanDerWaalsContact C-N 3.32Å; Y343-Q345 PolarHBondContact O-N 3.21Å; Y343-E346 PolarHBondContact O-N 3.16Å; Y343-H347 AromaticContact CD2-CD2 3.89Å; Y343-H347 AromaticContact CE2-CD2 3.35Å; Y343-H347 WeakPolarHBondContact CE2-CD2 3.4Å; Y343-H347 AromaticContact CE2-NE2 3.4Å; Y343-H347 WeakPolarHBondContact CE2-NE2 3.37Å; Y343-H347 AromaticContact CZ-CD2 3.42Å; Y343-H347 VanDerWaalsContact CZ-CD2 3.42Å; Y343-H347 AromaticContact CZ-NE2 3.47Å; Y343-H347 WeakPolarHBondContact O-CB 3.26Å; Y343-H347 PolarHBondContact O-N 3.35Å; Y343-H347 PolarHBondContact OH-NE2 2.72Å
344	D	48.3	Very low	50.3	Low	18 Å²	18	80.1 Å²	80.1	10%	0.096	39%	0.388	C	S	.	.	H	α-helix	trans	-63.5	-37.5	-179.5	-87.5	23.2	0	0	0	111.8	F340 E342 I348 R475 L479	F340-D344 PolarHBondContact O-N 3.34Å; F340-D344 VanDerWaalsContact O-N 3.15Å; E342-D344 PolarHBondContact O-N 3.33Å; D344-I348 VanDerWaalsContact O-CG1 3.31Å; D344-I348 WeakPolarHBondContact O-CG1 3.26Å; D344-I348 PolarHBondContact O-N 2.95Å; D344-I348 VanDerWaalsContact O-N 3.12Å; D344-R475 IonicContact OD1-NE 2.77Å; D344-R475 IonicContact OD2-CZ 2.64Å; D344-R475 IonicContact OD2-NE 2.7Å; D344-R475 IonicContact OD2-NH2 3.17Å; D344-R475 PolarHBondContact OD2-NH2 3.06Å; D344-L479 HydrophobicContact CB-CD1 4.25Å; D344-L479 VanDerWaalsContact CG-CD1 3.49Å; D344-L479 VanDerWaalsContact OD1-CD1 3.23Å; D344-L479 WeakPolarHBondContact OD1-CD1 3.34Å
345	Q	57.4	Low	51.1	Low	97 Å²	97	76.7 Å²	76.7	45%	0.453	36%	0.359	S	S	.	.	H	α-helix	trans	-72.8	-40.8	177.5	-75.4	178.4	74.6	0	0	112.4	L341 E342 Y343 I348 R349	L341-Q345 WeakPolarHBondContact O-CB 3.48Å; L341-Q345 VanDerWaalsContact O-CG 3.26Å; L341-Q345 WeakPolarHBondContact O-CG 3.36Å; L341-Q345 PolarHBondContact O-NE2 2.9Å; E342-Q345 PolarHBondContact O-N 2.94Å; E342-Q345 VanDerWaalsContact O-N 3.15Å; Y343-Q345 VanDerWaalsContact C-N 3.32Å; Y343-Q345 PolarHBondContact O-N 3.21Å; Q345-I348 PolarHBondContact O-N 3.02Å; Q345-R349 VanDerWaalsContact O-CB 3.24Å; Q345-R349 WeakPolarHBondContact O-CB 3.47Å; Q345-R349 PolarHBondContact O-N 2.83Å
346	E	58.9	Low	52	Low	64 Å²	64	76.3 Å²	76.3	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-67.9	-37.2	176.4	-69	-141.9	120.5	0	0	111.7	L188 E342 Y343 R349 F350	L188-E346 VanDerWaalsContact CD1-OE2 3.29Å; L188-E346 WeakPolarHBondContact CD1-OE2 3.49Å; L188-E346 HydrophobicContact CD2-CB 4.01Å; E342-E346 HydrophobicContact CG-CG 3.96Å; E342-E346 WeakPolarHBondContact O-CB 3.48Å; E342-E346 WeakPolarHBondContact O-CG 3.47Å; E342-E346 PolarHBondContact O-N 3.42Å; Y343-E346 PolarHBondContact O-N 3.16Å; E346-R349 PolarHBondContact O-N 2.96Å; E346-R349 IonicContact OE1-NH1 2.75Å; E346-F350 VanDerWaalsContact O-CB 3.3Å; E346-F350 WeakPolarHBondContact O-CB 3.05Å; E346-F350 PolarHBondContact O-N 3.06Å
347	H	55.5	Low	52	Low	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.5	-44.4	172.5	-100.7	-100.8	0	0	0	112.2	G189 Y343 R349 F350 I351	G189-H347 PolarHBondContact N-CE1 3.27Å; G189-H347 PolarHBondContact N-NE2 2.92Å; Y343-H347 AromaticContact CD2-CD2 3.89Å; Y343-H347 AromaticContact CE2-CD2 3.35Å; Y343-H347 WeakPolarHBondContact CE2-CD2 3.4Å; Y343-H347 AromaticContact CE2-NE2 3.4Å; Y343-H347 WeakPolarHBondContact CE2-NE2 3.37Å; Y343-H347 AromaticContact CZ-CD2 3.42Å; Y343-H347 VanDerWaalsContact CZ-CD2 3.42Å; Y343-H347 AromaticContact CZ-NE2 3.47Å; Y343-H347 WeakPolarHBondContact O-CB 3.26Å; Y343-H347 PolarHBondContact O-N 3.35Å; Y343-H347 PolarHBondContact OH-NE2 2.72Å; H347-R349 VanDerWaalsContact C-N 3.35Å; H347-R349 PolarHBondContact O-N 3.36Å; H347-F350 PolarHBondContact O-N 3.26Å; H347-I351 WeakPolarHBondContact O-CB 3.18Å; H347-I351 WeakPolarHBondContact O-CD1 3.46Å; H347-I351 WeakPolarHBondContact O-CG1 3.44Å; H347-I351 PolarHBondContact O-N 3.02Å
348	I	60.3	Low	51.9	Low	42 Å²	42	65.6 Å²	65.6	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-63.8	-41.3	174.9	-68.5	167.1	0	0	0	110.9	D344 Q345 I351 D352 Y537	D344-I348 VanDerWaalsContact O-CG1 3.31Å; D344-I348 WeakPolarHBondContact O-CG1 3.26Å; D344-I348 PolarHBondContact O-N 2.95Å; D344-I348 VanDerWaalsContact O-N 3.12Å; Q345-I348 PolarHBondContact O-N 3.02Å; I348-I351 PolarHBondContact O-N 3.28Å; I348-D352 PolarHBondContact O-N 2.66Å; I348-Y537 HydrophobicContact CD1-CD2 4.15Å; I348-Y537 HydrophobicContact CD1-CE2 3.8Å
349	R	57.6	Low	51.9	Low	133 Å²	133	63.9 Å²	63.9	50%	0.502	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-38	175.5	-167.7	-172.1	-61.2	151.8	2.2	111.9	Q345 E346 H347 N353	Q345-R349 VanDerWaalsContact O-CB 3.24Å; Q345-R349 WeakPolarHBondContact O-CB 3.47Å; Q345-R349 PolarHBondContact O-N 2.83Å; E346-R349 PolarHBondContact O-N 2.96Å; E346-R349 IonicContact OE1-NH1 2.75Å; H347-R349 VanDerWaalsContact C-N 3.35Å; H347-R349 PolarHBondContact O-N 3.36Å; R349-N353 VanDerWaalsContact O-CB 3.24Å; R349-N353 WeakPolarHBondContact O-CB 3.26Å; R349-N353 PolarHBondContact O-N 3.11Å; R349-N353 PolarHBondContact O-ND2 3.45Å
350	F	58.7	Low	51.5	Low	64 Å²	64	62.9 Å²	62.9	28%	0.281	34%	0.344	S	S	.	.	H	α-helix	trans	-65.2	-47.5	172.8	179.5	-80.8	0	0	0	110.7	E346 H347 D352 N353 M354 Y468	E346-F350 VanDerWaalsContact O-CB 3.3Å; E346-F350 WeakPolarHBondContact O-CB 3.05Å; E346-F350 PolarHBondContact O-N 3.06Å; H347-F350 PolarHBondContact O-N 3.26Å; F350-D352 VanDerWaalsContact C-N 3.34Å; F350-D352 PolarHBondContact O-N 3.22Å; F350-N353 CarbonylContact O-C 3.57Å; F350-N353 PolarHBondContact O-N 2.64Å; F350-N353 VanDerWaalsContact O-N 3.17Å; F350-M354 HydrophobicContact CE1-CB 4.22Å; F350-M354 HydrophobicContact CE1-CG 4.42Å; F350-M354 HydrophobicContact CE1-SD 4.06Å; F350-M354 VanDerWaalsContact O-CB 3.32Å; F350-M354 WeakPolarHBondContact O-CB 3.3Å; F350-M354 PolarHBondContact O-N 3.29Å; F350-Y468 WeakPolarHBondContact CD1-OH 3.41Å; F350-Y468 WeakPolarHBondContact CE1-OH 3.45Å
351	I	58.7	Low	51.2	Low	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-57.7	-48.1	177.8	-68.6	156.1	0	0	0	110.2	H347 I348 M354 L355 Y468 F480 S483	H347-I351 WeakPolarHBondContact O-CB 3.18Å; H347-I351 WeakPolarHBondContact O-CD1 3.46Å; H347-I351 WeakPolarHBondContact O-CG1 3.44Å; H347-I351 PolarHBondContact O-N 3.02Å; I348-I351 PolarHBondContact O-N 3.28Å; I351-M354 PolarHBondContact O-N 3.34Å; I351-L355 HydrophobicContact CG2-CD1 3.73Å; I351-L355 HydrophobicContact CG2-CG 4.33Å; I351-L355 VanDerWaalsContact O-CB 3.27Å; I351-L355 WeakPolarHBondContact O-CB 3.48Å; I351-L355 VanDerWaalsContact O-CG 3.29Å; I351-L355 WeakPolarHBondContact O-CG 3.42Å; I351-L355 PolarHBondContact O-N 2.94Å; I351-Y468 HydrophobicContact CD1-CE1 4.06Å; I351-Y468 HydrophobicContact CG1-CE1 3.56Å; I351-Y468 HydrophobicContact CG1-CE2 4.43Å; I351-Y468 VanDerWaalsContact CG1-OH 3.29Å; I351-Y468 WeakPolarHBondContact CG1-OH 3.48Å; I351-F480 HydrophobicContact CD1-CB 4.08Å; I351-F480 HydrophobicContact CD1-CD2 4.27Å; I351-F480 HydrophobicContact CG1-CD2 4.22Å; I351-F480 HydrophobicContact CG2-CD2 3.95Å; I351-F480 HydrophobicContact CG2-CE2 4.34Å; I351-S483 WeakPolarHBondContact CG2-OG 3.47Å
352	D	58.2	Low	50.3	Low	55 Å²	55	71.9 Å²	71.9	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-73.1	-25.9	178.3	-80.9	-24.6	0	0	0	113	K261 I348 F350 M356 G357	K261-D352 IonicContact NZ-OD1 3.16Å; K261-D352 PolarHBondContact NZ-OD1 2.82Å; K261-D352 IonicContact NZ-OD2 3.55Å; I348-D352 PolarHBondContact O-N 2.66Å; F350-D352 VanDerWaalsContact C-N 3.34Å; F350-D352 PolarHBondContact O-N 3.22Å; D352-M356 HydrophobicContact CB-CG 4.45Å; D352-M356 VanDerWaalsContact O-CA 3.25Å; D352-M356 WeakPolarHBondContact O-CA 3.5Å; D352-M356 WeakPolarHBondContact O-CB 3.5Å; D352-M356 WeakPolarHBondContact O-CG 3.11Å; D352-M356 PolarHBondContact O-N 3.37Å; D352-G357 PolarHBondContact O-N 2.87Å
353	N	58	Low	49	Very low	85 Å²	85	74.7 Å²	74.7	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-72	-36.8	168.9	-74.9	-15.6	0	0	0	112.2	R349 F350 G357 S358	R349-N353 VanDerWaalsContact O-CB 3.24Å; R349-N353 WeakPolarHBondContact O-CB 3.26Å; R349-N353 PolarHBondContact O-N 3.11Å; R349-N353 PolarHBondContact O-ND2 3.45Å; F350-N353 CarbonylContact O-C 3.57Å; F350-N353 PolarHBondContact O-N 2.64Å; F350-N353 VanDerWaalsContact O-N 3.17Å; N353-G357 CarbonylContact O-C 3.49Å; N353-G357 WeakPolarHBondContact O-CA 3.31Å; N353-G357 PolarHBondContact O-N 3.34Å; N353-S358 PolarHBondContact O-N 3.49Å
354	M	58	Low	47.6	Very low	32 Å²	32	79.9 Å²	79.9	16%	0.158	43%	0.427	C	S	.	.	H	α-helix	trans	-67.9	-40	173.8	-166	-164.6	90.7	0	0	111.3	I195 F350 I351 L464 Y468	I195-M354 HydrophobicContact CD1-CG 4.41Å; I195-M354 HydrophobicContact CD1-SD 3.55Å; I195-M354 VanDerWaalsContact CD1-SD 3.55Å; I195-M354 HydrophobicContact CG1-SD 3.94Å; I195-M354 HydrophobicContact CG2-CE 4.24Å; I195-M354 HydrophobicContact CG2-SD 3.95Å; F350-M354 HydrophobicContact CE1-CB 4.22Å; F350-M354 HydrophobicContact CE1-CG 4.42Å; F350-M354 HydrophobicContact CE1-SD 4.06Å; F350-M354 VanDerWaalsContact O-CB 3.32Å; F350-M354 WeakPolarHBondContact O-CB 3.3Å; F350-M354 PolarHBondContact O-N 3.29Å; I351-M354 PolarHBondContact O-N 3.34Å; M354-L464 HydrophobicContact CE-CD2 4.07Å; M354-Y468 HydrophobicContact CE-CE2 4.19Å; M354-Y468 HydrophobicContact SD-CE2 4.3Å; M354-Y468 PolarHBondContact SD-OH 2.75Å
355	L	51.1	Low	46.6	Very low	4 Å²	4	85.1 Å²	85.1	2%	0.021	45%	0.454	C	S	.	.	H	α-helix	trans	-94.8	-11.7	-176.3	-63.2	-178.1	0	0	0	114.9	K261 L263 R266 I351 F480 L484	K261-L355 HydrophobicContact CB-CD1 4.26Å; K261-L355 HydrophobicContact CD-CB 4.38Å; K261-L355 HydrophobicContact CD-CD1 3.97Å; K261-L355 HydrophobicContact CG-CD1 4.15Å; L263-L355 HydrophobicContact CD2-CD2 3.61Å; R266-L355 PolarHBondContact NH1-O 3.06Å; R266-L355 PolarHBondContact NH2-O 2.86Å; I351-L355 HydrophobicContact CG2-CD1 3.73Å; I351-L355 HydrophobicContact CG2-CG 4.33Å; I351-L355 VanDerWaalsContact O-CB 3.27Å; I351-L355 WeakPolarHBondContact O-CB 3.48Å; I351-L355 VanDerWaalsContact O-CG 3.29Å; I351-L355 WeakPolarHBondContact O-CG 3.42Å; I351-L355 PolarHBondContact O-N 2.94Å; L355-F480 HydrophobicContact CD1-CE2 4.26Å; L355-L484 HydrophobicContact CD1-CD2 4.45Å
356	M	49.3	Very low	45	Very low	126 Å²	126	85.3 Å²	85.3	62%	0.621	47%	0.466	S	S	*	.	H	α-helix	trans	-138.5	-21.8	-179	-45.2	-69.3	-65.5	0	0	114.1	K261 D352	K261-M356 HydrophobicContact CD-SD 4.47Å; D352-M356 HydrophobicContact CB-CG 4.45Å; D352-M356 VanDerWaalsContact O-CA 3.25Å; D352-M356 WeakPolarHBondContact O-CA 3.5Å; D352-M356 WeakPolarHBondContact O-CB 3.5Å; D352-M356 WeakPolarHBondContact O-CG 3.11Å; D352-M356 PolarHBondContact O-N 3.37Å
357	G	38.9	Very low	43.5	Very low	45 Å²	45	89.7 Å²	89.7	46%	0.464	49%	0.49	S	S	.	.			trans	-126.3	45.3	-160.4	0	0	0	0	0	115.8	D352 N353	D352-G357 PolarHBondContact O-N 2.87Å; N353-G357 CarbonylContact O-C 3.49Å; N353-G357 WeakPolarHBondContact O-CA 3.31Å; N353-G357 PolarHBondContact O-N 3.34Å
358	S	35.1	Very low	42	Very low	74 Å²	74	94.5 Å²	94.5	52%	0.517	52%	0.524	S	S	.	.			trans	-138.6	94.5	169.4	-79.3	0	0	0	0	111.3	N353 A360	N353-S358 PolarHBondContact O-N 3.49Å; S358-A360 PolarHBondContact O-N 3.04Å; S358-A360 VanDerWaalsContact O-N 3.08Å
359	G	37.2	Very low	40.5	Very low	66 Å²	66	98.2 Å²	98.2	68%	0.68	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	16.8	174.2	0	0	0	0	0	114.7
360	A	36.8	Very low	39	Very low	84 Å²	84	101.4 Å²	101.4	69%	0.694	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-22.3	-179.5	0	0	0	0	0	113.2	S358	S358-A360 PolarHBondContact O-N 3.04Å; S358-A360 VanDerWaalsContact O-N 3.08Å
361	F	34.3	Very low	37.4	Very low	191 Å²	191	103.2 Å²	103.2	84%	0.838	59%	0.589	S	S	*	*	S	Bend	trans	-122.7	105.6	171	-71.9	-83.3	0	0	0	109.2
362	V	30.9	Very low	36.1	Very low	125 Å²	125	110 Å²	110	76%	0.758	63%	0.631	S	S	*	*	S	Bend	trans	58.1	116.4	179.2	-170.4	0	0	0	0	115.5	K364	V362-K364 PolarHBondContact O-N 3.5Å; V362-K364 VanDerWaalsContact O-N 3.08Å
363	K	30.3	Very low	34.6	Very low	183 Å²	183	112.6 Å²	112.6	80%	0.796	65%	0.649	S	S	*	*			trans	-68.1	107.3	171.9	-86.1	-177.6	176.3	174.2	0	111.1	I365	K363-I365 PolarHBondContact O-N 3.16Å
364	K	26.7	Very low	33.1	Very low	189 Å²	189	116.7 Å²	116.7	82%	0.822	67%	0.671	S	S	*	*			trans	8.3	96.7	149.5	-172.1	-177.7	-176.8	-179.8	0	115.6	V362 S366	V362-K364 PolarHBondContact O-N 3.5Å; V362-K364 VanDerWaalsContact O-N 3.08Å; K364-S366 PolarHBondContact O-N 3.45Å
365	I	27	Very low	31.7	Very low	129 Å²	129	120.6 Å²	120.6	66%	0.662	70%	0.701	S	S	*	*			trans	-64	121.4	162.3	-60.6	176.7	0	0	0	107.9	K363 L367	K363-I365 PolarHBondContact O-N 3.16Å; I365-L367 PolarHBondContact O-N 2.88Å
366	S	23.1	Very low	30.8	Very low	101 Å²	101	125.1 Å²	125.1	71%	0.706	74%	0.739	S	S	*	*			trans	-88.6	87.5	-176.3	-173.8	0	0	0	0	111.4	K364 S368	K364-S366 PolarHBondContact O-N 3.45Å; S366-S368 PolarHBondContact O-N 3.15Å
367	L	27.8	Very low	29.6	Very low	156 Å²	156	129.1 Å²	129.1	82%	0.817	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-59.9	132.7	162.2	-67.5	175.9	0	0	0	109.5	I365	I365-L367 PolarHBondContact O-N 2.88Å
368	S	24.4	Very low	29	Very low	100 Å²	100	134 Å²	134	70%	0.699	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-65.9	138	-178.1	43.7	0	0	0	0	111.5	S366	S366-S368 PolarHBondContact O-N 3.15Å
369	P	27.6	Very low	28.5	Very low	121 Å²	121	140.8 Å²	140.8	79%	0.786	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-67.5	135.3	170.9	29	-33.5	0	0	0	109.9	S371	P369-S371 PolarHBondContact O-N 2.89Å
370	F	26.3	Very low	27.8	Very low	200 Å²	200	144.3 Å²	144.3	88%	0.877	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-62	131.2	170.3	-77.9	-93.7	0	0	0	110.1	T372	F370-T372 PolarHBondContact O-N 3.34Å
371	S	26.4	Very low	27.2	Very low	102 Å²	102	148.7 Å²	148.7	71%	0.713	78%	0.779	S	S	*	*			trans	-73.4	106.2	177	51.4	0	0	0	0	111.1	P369 T373	P369-S371 PolarHBondContact O-N 2.89Å; S371-T373 PolarHBondContact O-N 3.25Å
372	T	30.3	Very low	26.8	Very low	142 Å²	142	144.4 Å²	144.4	87%	0.871	77%	0.77	S	S	*	*			trans	-76.3	72.4	173.3	54.8	0	0	0	0	111.4	F370	F370-T372 PolarHBondContact O-N 3.34Å
373	T	27.6	Very low	26.6	Very low	110 Å²	110	148 Å²	148	68%	0.675	78%	0.776	S	S	*	*			trans	-137.7	79.5	174.1	52.7	0	0	0	0	110.7	S371	S371-T373 PolarHBondContact O-N 3.25Å
374	D	25.6	Very low	26.4	Very low	171 Å²	171	149.6 Å²	149.6	91%	0.914	78%	0.783	S	S	*	*			trans	-161.3	120.5	131.9	-106.5	-17.8	0	0	0	109.9
375	S	29.1	Very low	26.3	Very low	114 Å²	114	146.4 Å²	146.4	80%	0.797	78%	0.784	S	S	*	*			trans	-120.8	140.7	170.5	57.7	0	0	0	0	107.7
376	A	31.2	Very low	26.3	Very low	99 Å²	99	145.7 Å²	145.7	82%	0.818	79%	0.79	S	S	*	*			trans	80.7	87.4	-171.1	0	0	0	0	0	116.4
377	Y	25.9	Very low	26.4	Very low	210 Å²	210	149.7 Å²	149.7	82%	0.824	80%	0.803	S	S	*	*			trans	-131.5	112.6	140.7	-121.6	-79.3	0	0	0	110.4	W379	Y377-W379 AromaticContact CD1-CD1 3.97Å
378	E	25.9	Very low	26.2	Very low	148 Å²	148	145.2 Å²	145.2	69%	0.692	79%	0.794	S	S	*	*			trans	-87.5	113.1	175.7	-174.1	-161.8	-178	0	0	108.9	K380	E378-K380 WeakPolarHBondContact OE1-CE 3.19Å; E378-K380 IonicContact OE1-NZ 2.66Å; E378-K380 PolarHBondContact OE1-NZ 3.15Å; E378-K380 IonicContact OE2-NZ 2.93Å; E378-K380 PolarHBondContact OE2-NZ 3Å
379	W	24.1	Very low	26.1	Very low	215 Å²	215	145.8 Å²	145.8	81%	0.814	80%	0.798	S	S	*	*			trans	-110.2	135.7	177.6	-113.1	89	0	0	0	112.3	Y377	Y377-W379 AromaticContact CD1-CD1 3.97Å
380	K	22.9	Very low	25.8	Very low	140 Å²	140	148.5 Å²	148.5	61%	0.609	80%	0.803	S	S	*	*			trans	-111.3	146.1	-170.4	-76.5	176	170.2	122.8	0	112.6	E378 P382	E378-K380 WeakPolarHBondContact OE1-CE 3.19Å; E378-K380 IonicContact OE1-NZ 2.66Å; E378-K380 PolarHBondContact OE1-NZ 3.15Å; E378-K380 IonicContact OE2-NZ 2.93Å; E378-K380 PolarHBondContact OE2-NZ 3Å; K380-P382 WeakPolarHBondContact O-CD 3.24Å
381	M	23.5	Very low	26.1	Very low	176 Å²	176	143.4 Å²	143.4	87%	0.867	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-66.1	125	-170.2	-164.7	-177	81.5	0	0	113.4
382	P	26	Very low	25.9	Very low	102 Å²	102	148.1 Å²	148.1	66%	0.662	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-66.1	158	168.3	-21.7	35	0	0	0	112.9	K380	K380-P382 WeakPolarHBondContact O-CD 3.24Å
383	K	26.1	Very low	25.6	Very low	200 Å²	200	146.6 Å²	146.6	87%	0.87	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-94.4	149.3	-173.3	-64.4	176.6	-177.9	174.8	0	112.5
384	K	27.4	Very low	25.4	Very low	217 Å²	217	145.5 Å²	145.5	94%	0.943	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-59.7	143.1	166.5	-67.2	-177.7	175.4	-177.4	0	111.2
385	S	24.6	Very low	25.3	Very low	122 Å²	122	143.4 Å²	143.4	85%	0.853	78%	0.779	S	S	*	*			trans	-120.4	156.4	161.2	56.5	0	0	0	0	109.4
386	S	25.8	Very low	25.1	Very low	113 Å²	113	146.4 Å²	146.4	79%	0.79	78%	0.778	S	S	*	*			trans	-139.9	116.4	-166.8	56.4	0	0	0	0	113
387	L	26.7	Very low	24.9	Very low	186 Å²	186	149.5 Å²	149.5	97%	0.974	78%	0.775	S	S	*	*			trans	-163.9	157.1	166	-117.6	90.4	0	0	0	106.2
388	G	23.8	Very low	25	Very low	61 Å²	61	147.6 Å²	147.6	63%	0.629	78%	0.779	S	S	*	*			cis	169	75.2	-3	0	0	0	0	0	113.8
389	S	22	Very low	25	Very low	112 Å²	112	150 Å²	150	78%	0.783	79%	0.788	S	S	*	*			trans	46.2	115.9	156.9	62	0	0	0	0	123.4
390	M	21.4	Very low	25.2	Very low	178 Å²	178	145.5 Å²	145.5	88%	0.877	78%	0.78	S	S	*	*			trans	68.5	162.7	133.2	-77.9	-74.6	170.4	0	0	120.6
391	P	31.9	Very low	25.6	Very low	94 Å²	94	149.2 Å²	149.2	61%	0.61	79%	0.791	S	S	*	*			cis	-135.4	171.5	-1.6	41.9	-25.3	0	0	0	118.6
392	F	22.6	Very low	25.8	Very low	201 Å²	201	144.9 Å²	144.9	88%	0.882	78%	0.778	S	S	*	*			trans	63.9	158.3	160.4	-69.5	-65.3	0	0	0	119.2
393	S	24.2	Very low	25.9	Very low	110 Å²	110	145.2 Å²	145.2	77%	0.769	78%	0.783	S	S	*	*			cis	-126.8	175.3	5	70.6	0	0	0	0	114.2
394	S	23.2	Very low	25.9	Very low	86 Å²	86	146.8 Å²	146.8	60%	0.601	78%	0.784	S	S	*	*			trans	-85.1	157.9	165.6	56.1	0	0	0	0	111.8
395	D	23.1	Very low	26.1	Very low	128 Å²	128	142.6 Å²	142.6	68%	0.684	77%	0.772	S	S	*	*				162	157.5	121	-77.5	-1.9	0	0	0	109.7
396	F	24.4	Very low	26.3	Very low	177 Å²	177	139.4 Å²	139.4	78%	0.776	75%	0.752	S	S	*	*			trans	65.7	141	-179.4	-66.2	-93.3	0	0	0	117
397	E	27.8	Very low	26.5	Very low	164 Å²	164	140.9 Å²	140.9	77%	0.766	75%	0.749	S	S	*	*			cis	-158.4	165.6	-26.5	-141.9	168.5	-152.7	0	0	107.7	F399	E397-F399 PolarHBondContact O-N 2.55Å
398	D	28.7	Very low	26.7	Very low	170 Å²	170	135.8 Å²	135.8	91%	0.909	73%	0.728	S	S	*	*			trans	-64.7	132.9	-178	-70.5	-60.2	0	0	0	112.5
399	F	25.8	Very low	27.5	Very low	198 Å²	198	136.8 Å²	136.8	87%	0.868	71%	0.713	S	S	*	*			trans	-121.6	137.7	170.6	-162.3	-95.6	0	0	0	110.9	E397 Y401	E397-F399 PolarHBondContact O-N 2.55Å; F399-Y401 PolarHBondContact O-N 2.88Å
400	D	27.2	Very low	28.2	Very low	121 Å²	121	134.3 Å²	134.3	65%	0.647	69%	0.691	S	S	*	*			trans	-71.7	126	-157.7	-171.1	14.7	0	0	0	114	S402	D400-S402 VanDerWaalsContact C-N 3.3Å; D400-S402 PolarHBondContact O-N 2.84Å; D400-S402 PolarHBondContact OD1-OG 2.95Å; D400-S402 PolarHBondContact OD2-OG 2.91Å
401	Y	30.4	Very low	28.9	Very low	217 Å²	217	128.8 Å²	128.8	85%	0.851	67%	0.665	S	S	*	*			trans	-93.9	50.9	-173.8	-148.6	-86.9	0	0	0	111.8	F399	F399-Y401 PolarHBondContact O-N 2.88Å
402	S	28.5	Very low	29.2	Very low	85 Å²	85	129.4 Å²	129.4	59%	0.594	67%	0.669	S	S	*	*			trans	-116.8	8.9	-171.7	61.8	0	0	0	0	114.8	D400	D400-S402 VanDerWaalsContact C-N 3.3Å; D400-S402 PolarHBondContact O-N 2.84Å; D400-S402 PolarHBondContact OD1-OG 2.95Å; D400-S402 PolarHBondContact OD2-OG 2.91Å
403	S	28	Very low	29.9	Very low	110 Å²	110	124.6 Å²	124.6	77%	0.769	66%	0.66	S	S	*	*			trans	-102.8	89.2	178.3	-165.7	0	0	0	0	112.7	D405	S403-D405 PolarHBondContact O-N 2.84Å
404	W	26.4	Very low	30.6	Very low	233 Å²	233	126.7 Å²	126.7	88%	0.883	66%	0.655	S	S	*	*			trans	-85.7	81.3	169.1	-87.1	81.1	0	0	0	111.1
405	D	32	Very low	31.4	Very low	129 Å²	129	124.7 Å²	124.7	69%	0.69	64%	0.644	S	S	*	*			trans	-128.4	52.6	163.6	-156.9	3	0	0	0	110.5	S403 M407	S403-D405 PolarHBondContact O-N 2.84Å; D405-M407 PolarHBondContact O-N 2.71Å
406	A	28.3	Very low	32.3	Very low	54 Å²	54	125.3 Å²	125.3	45%	0.446	65%	0.652	S	S	.	*			trans	-77	68.4	-175.7	0	0	0	0	0	112	C408 F425	A406-C408 PolarHBondContact O-N 3.31Å; A406-F425 HydrophobicContact CB-CE1 4.13Å
407	M	29.8	Very low	33.1	Very low	145 Å²	145	124.6 Å²	124.6	71%	0.714	65%	0.651	S	S	*	*			trans	-57.9	101.9	173.5	-88.7	178.3	39.1	0	0	111.7	D405	D405-M407 PolarHBondContact O-N 2.71Å
408	C	31.1	Very low	34	Very low	78 Å²	78	124.9 Å²	124.9	53%	0.527	65%	0.652	S	S	.	*			trans	-66.9	135.2	167.8	-71.1	0	0	0	0	110.3	A406 V423	A406-C408 PolarHBondContact O-N 3.31Å; C408-V423 HydrophobicContact CB-CG1 3.75Å
409	Y	41.5	Very low	34.7	Very low	83 Å²	83	122.8 Å²	122.8	33%	0.325	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.1	176.6	172.9	-160.8	-105.6	0	0	0	111.1	K247 G424 W426	K247-Y409 PolarHBondContact NZ-OH 2.75Å; Y409-G424 PolarHBondContact N-O 3.09Å; Y409-G424 PolarHBondContact O-N 3.5Å; Y409-W426 HydrophobicContact CD1-CZ2 4.49Å; Y409-W426 AromaticContact CD1-NE1 3.61Å; Y409-W426 AromaticContact CG-NE1 3.54Å
410	L	35.4	Very low	35.1	Very low	60 Å²	60	119.8 Å²	119.8	31%	0.314	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.5	127	-168.8	-58.8	169.9	0	0	0	109.5	P412 F421 V422 V423	L410-P412 VanDerWaalsContact O-CD 3.23Å; L410-P412 WeakPolarHBondContact O-CD 3.49Å; L410-F421 HydrophobicContact CB-CD1 4.09Å; L410-F421 HydrophobicContact CD1-CB 3.9Å; L410-F421 HydrophobicContact CD1-CD1 3.71Å; L410-F421 HydrophobicContact CD1-CD2 4.44Å; L410-F421 HydrophobicContact CD1-CE1 4.36Å; L410-F421 HydrophobicContact CD1-CG 3.76Å; L410-F421 HydrophobicContact CD2-CB 4.02Å; L410-F421 HydrophobicContact CG-CB 4.44Å; L410-F421 HydrophobicContact CG-CD1 4.38Å; L410-V422 WeakPolarHBondContact CD2-O 3.32Å; L410-V423 HydrophobicContact CD2-CG2 4.09Å
411	D	36.8	Very low	35.7	Very low	61 Å²	61	119.5 Å²	119.5	33%	0.326	63%	0.628	S	S	.	*			trans	-73.2	110.2	-178.3	174.7	1.7	0	0	0	110.8	S413 K414	D411-S413 VanDerWaalsContact CG-OG 3.29Å; D411-S413 PolarHBondContact O-N 3.5Å; D411-S413 VanDerWaalsContact OD1-CB 3.31Å; D411-S413 WeakPolarHBondContact OD1-CB 3.33Å; D411-S413 PolarHBondContact OD1-N 3.38Å; D411-S413 PolarHBondContact OD1-OG 2.87Å; D411-S413 PolarHBondContact OD2-OG 3.31Å; D411-K414 PolarHBondContact O-N 2.9Å; D411-K414 WeakPolarHBondContact OD2-CD 3.3Å; D411-K414 WeakPolarHBondContact OD2-CE 3.45Å; D411-K414 IonicContact OD2-NZ 3.65Å; D411-K414 PolarHBondContact OD2-NZ 2.86Å
412	P	37.7	Very low	35.9	Very low	108 Å²	108	115 Å²	115	70%	0.701	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-67.7	-17.2	-177.7	-18.3	33.1	0	0	0	113.6	L410 K414	L410-P412 VanDerWaalsContact O-CD 3.23Å; L410-P412 WeakPolarHBondContact O-CD 3.49Å; P412-K414 PolarHBondContact O-N 3.44Å
413	S	38.2	Very low	36.2	Very low	99 Å²	99	115.5 Å²	115.5	69%	0.692	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-76.8	-5.8	-176.7	74.3	0	0	0	0	114.1	D411	D411-S413 VanDerWaalsContact CG-OG 3.29Å; D411-S413 PolarHBondContact O-N 3.5Å; D411-S413 VanDerWaalsContact OD1-CB 3.31Å; D411-S413 WeakPolarHBondContact OD1-CB 3.33Å; D411-S413 PolarHBondContact OD1-N 3.38Å; D411-S413 PolarHBondContact OD1-OG 2.87Å; D411-S413 PolarHBondContact OD2-OG 3.31Å
414	K	38	Very low	36.4	Very low	154 Å²	154	111.7 Å²	111.7	67%	0.67	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-118.6	1.9	-178.1	-64.5	-177.2	-174.5	117.9	0	114.5	D411 P412 V416	D411-K414 PolarHBondContact O-N 2.9Å; D411-K414 WeakPolarHBondContact OD2-CD 3.3Å; D411-K414 WeakPolarHBondContact OD2-CE 3.45Å; D411-K414 IonicContact OD2-NZ 3.65Å; D411-K414 PolarHBondContact OD2-NZ 2.86Å; P412-K414 PolarHBondContact O-N 3.44Å; K414-V416 PolarHBondContact O-N 3.12Å
415	A	40.8	Very low	36.6	Very low	44 Å²	44	108.6 Å²	108.6	36%	0.364	59%	0.593	S	S	.	*			trans	-71.2	105.5	169.9	0	0	0	0	0	109.2
416	V	42.1	Very low	36.6	Very low	141 Å²	141	111.4 Å²	111.4	86%	0.855	59%	0.594	S	S	*	*	S	Bend	trans	-80.4	-27.5	-179.7	-178.6	0	0	0	0	111.5	K414	K414-V416 PolarHBondContact O-N 3.12Å
417	E	41	Very low	36.8	Very low	162 Å²	162	113.9 Å²	113.9	76%	0.757	60%	0.599	S	S	*	*	S	Bend	trans	-134.5	169.1	164.5	-64.4	-166.5	-173.2	0	0	109.3	D419	E417-D419 PolarHBondContact O-N 3.06Å
418	E	45.7	Very low	36.7	Very low	170 Å²	170	113 Å²	113	79%	0.794	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-12.3	-164.6	-67.5	-164.1	144.8	0	0	116.4
419	D	44.3	Very low	36.8	Very low	126 Å²	126	112.6 Å²	112.6	67%	0.674	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	5.6	-163.3	-76.5	-56.7	0	0	0	116.4	E417	E417-D419 PolarHBondContact O-N 3.06Å
420	D	34.8	Very low	36.4	Very low	135 Å²	135	117.3 Å²	117.3	72%	0.722	63%	0.628	S	S	*	*			trans	-118.2	140.2	-175.5	-129	-12.5	0	0	0	114
421	F	39.2	Very low	36.4	Very low	116 Å²	116	123.9 Å²	123.9	51%	0.509	66%	0.657	S	S	.	*			trans	-145.4	140.7	-157.7	-66.3	-66.6	0	0	0	116.9	L410	L410-F421 HydrophobicContact CB-CD1 4.09Å; L410-F421 HydrophobicContact CD1-CB 3.9Å; L410-F421 HydrophobicContact CD1-CD1 3.71Å; L410-F421 HydrophobicContact CD1-CD2 4.44Å; L410-F421 HydrophobicContact CD1-CE1 4.36Å; L410-F421 HydrophobicContact CD1-CG 3.76Å; L410-F421 HydrophobicContact CD2-CB 4.02Å; L410-F421 HydrophobicContact CG-CB 4.44Å; L410-F421 HydrophobicContact CG-CD1 4.38Å
422	V	34.6	Very low	36	Very low	123 Å²	123	128 Å²	128	75%	0.745	68%	0.679	S	S	*	*			trans	-136.2	147.5	174.7	-178.6	0	0	0	0	111.1	L410	L410-V422 WeakPolarHBondContact CD2-O 3.32Å
423	V	34.6	Very low	35.8	Very low	95 Å²	95	128.2 Å²	128.2	58%	0.576	68%	0.682	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.2	143.8	-165.7	178.5	0	0	0	0	114.5	C408 L410	C408-V423 HydrophobicContact CB-CG1 3.75Å; L410-V423 HydrophobicContact CD2-CG2 4.09Å
424	G	32.2	Very low	35.3	Very low	30 Å²	30	127.5 Å²	127.5	31%	0.309	69%	0.69	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.9	167.8	168.7	0	0	0	0	0	113.9	Y409	Y409-G424 PolarHBondContact N-O 3.09Å; Y409-G424 PolarHBondContact O-N 3.5Å
425	F	31.2	Very low	35.3	Very low	168 Å²	168	126.2 Å²	126.2	74%	0.737	70%	0.695	S	S	*	*			trans	-96.4	145.9	178.8	-85.2	-104	0	0	0	112	A406	A406-F425 HydrophobicContact CB-CE1 4.13Å
426	W	31.9	Very low	34.9	Very low	187 Å²	187	131.4 Å²	131.4	71%	0.708	72%	0.717	S	S	*	*			trans	-83.9	155.2	176.1	-92.3	74.2	0	0	0	113.2	Y409	Y409-W426 HydrophobicContact CD1-CZ2 4.49Å; Y409-W426 AromaticContact CD1-NE1 3.61Å; Y409-W426 AromaticContact CG-NE1 3.54Å
427	N	31.4	Very low	34.4	Very low	106 Å²	106	131.6 Å²	131.6	57%	0.567	72%	0.718	S	S	*	*			trans	-137.8	123.4	168.6	-177.1	27.5	0	0	0	110.2	S429	N427-S429 PolarHBondContact ND2-OG 2.85Å; N427-S429 VanDerWaalsContact ND2-OG 3.07Å; N427-S429 PolarHBondContact O-N 3.21Å; N427-S429 PolarHBondContact OD1-OG 3.03Å
428	P	28.6	Very low	33.8	Very low	127 Å²	127	127.2 Å²	127.2	83%	0.825	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	18.7	-171.6	-21.4	34.5	0	0	0	117.6
429	S	32.4	Very low	33.4	Very low	70 Å²	70	129.2 Å²	129.2	49%	0.49	72%	0.723	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.1	-12.4	-166.4	-48.2	0	0	0	0	116	N427	N427-S429 PolarHBondContact ND2-OG 2.85Å; N427-S429 VanDerWaalsContact ND2-OG 3.07Å; N427-S429 PolarHBondContact O-N 3.21Å; N427-S429 PolarHBondContact OD1-OG 3.03Å
430	E	34.3	Very low	32.6	Very low	182 Å²	182	131.9 Å²	131.9	85%	0.85	73%	0.731	S	S	*	*	S	Bend	trans	-97.1	-14	-161.7	-61.3	-166.7	153	0	0	115.8	N432	E430-N432 PolarHBondContact O-N 3.36Å
431	E	33.7	Very low	32.3	Very low	198 Å²	198	131.2 Å²	131.2	93%	0.925	74%	0.737	S	S	*	*			trans	-92.5	75.4	168	-74	-163.4	141.5	0	0	111.4
432	N	28.7	Very low	31.9	Very low	146 Å²	146	131.3 Å²	131.3	78%	0.781	74%	0.741	S	S	*	*			trans	-111.3	132.3	162.1	-102.1	-59.6	0	0	0	110.2	E430 G434	E430-N432 PolarHBondContact O-N 3.36Å; N432-G434 PolarHBondContact O-N 3.38Å
433	C	33.7	Very low	31.5	Very low	114 Å²	114	130.6 Å²	130.6	77%	0.77	74%	0.742	S	S	*	*			trans	-57.5	123.7	-166.3	-59.4	0	0	0	0	113.9	V435	C433-V435 HydrophobicContact CB-CG2 4.43Å; C433-V435 PolarHBondContact O-N 3.22Å
434	G	27.8	Very low	31.5	Very low	84 Å²	84	135.3 Å²	135.3	87%	0.866	75%	0.751	S	S	*	*			trans	-69.3	91	163.2	0	0	0	0	0	110.9	N432 D436	N432-G434 PolarHBondContact O-N 3.38Å; G434-D436 PolarHBondContact O-N 2.91Å; G434-D436 VanDerWaalsContact O-N 3.17Å
435	V	38.3	Very low	31.8	Very low	126 Å²	126	136.6 Å²	136.6	76%	0.764	75%	0.75	S	S	*	*			trans	-77.9	92.9	173.9	-179	0	0	0	0	109.3	C433	C433-V435 HydrophobicContact CB-CG2 4.43Å; C433-V435 PolarHBondContact O-N 3.22Å
436	D	32.1	Very low	32.2	Very low	154 Å²	154	136.3 Å²	136.3	82%	0.824	76%	0.756	S	S	*	*			trans	-171.3	94	150.9	-103.1	-28.3	0	0	0	112.5	G434	G434-D436 PolarHBondContact O-N 2.91Å; G434-D436 VanDerWaalsContact O-N 3.17Å
437	T	32.4	Very low	32.8	Very low	144 Å²	144	133.3 Å²	133.3	88%	0.883	75%	0.75	S	S	*	*			trans	-133.9	94.8	159.3	40.1	0	0	0	0	109.7	K439	T437-K439 PolarHBondContact O-N 3.35Å
438	G	26.9	Very low	33.8	Very low	71 Å²	71	132.1 Å²	132.1	73%	0.732	75%	0.746	S	S	*	*			trans	-68.6	114.1	-177.5	0	0	0	0	0	113.1	Q440	G438-Q440 PolarHBondContact O-N 3.46Å
439	K	38.1	Very low	35	Very low	211 Å²	211	131.6 Å²	131.6	92%	0.917	73%	0.733	S	S	*	*			trans	23.5	79.9	154.7	-62	-179.5	-178.3	177.4	0	116.3	T437	T437-K439 PolarHBondContact O-N 3.35Å
440	Q	26.8	Very low	36.3	Very low	183 Å²	183	132.9 Å²	132.9	86%	0.855	73%	0.731	S	S	*	*			trans	-101.3	111.9	150.5	-73	-175.3	-18.3	0	0	108	G438 I442	G438-Q440 PolarHBondContact O-N 3.46Å; Q440-I442 PolarHBondContact O-N 3.08Å; Q440-I442 VanDerWaalsContact O-N 3.14Å
441	S	29.7	Very low	37.9	Very low	120 Å²	120	130.5 Å²	130.5	84%	0.839	73%	0.733	S	S	*	*			trans	-74.6	98.8	174	50.6	0	0	0	0	109.1	S443	S441-S443 PolarHBondContact O-N 3.37Å
442	I	29.7	Very low	39.7	Very low	118 Å²	118	122.6 Å²	122.6	61%	0.605	70%	0.697	S	S	*	*			trans	-60	131.7	172.4	-59	172.8	0	0	0	108.1	Q440 Y444	Q440-I442 PolarHBondContact O-N 3.08Å; Q440-I442 VanDerWaalsContact O-N 3.14Å; I442-Y444 PolarHBondContact O-N 3.31Å
443	S	27.6	Very low	42.1	Very low	108 Å²	108	118.3 Å²	118.3	76%	0.755	68%	0.681	S	S	*	*			trans	-79.7	102.2	178.3	-176.2	0	0	0	0	109.6	S441 D445	S441-S443 PolarHBondContact O-N 3.37Å; S443-D445 PolarHBondContact O-N 3.2Å
444	Y	35	Very low	44.5	Very low	194 Å²	194	117.1 Å²	117.1	76%	0.761	67%	0.667	S	S	*	*			trans	-63.4	127.1	-179.9	-55.9	-80.7	0	0	0	112.3	I442	I442-Y444 PolarHBondContact O-N 3.31Å
445	D	36.9	Very low	47.4	Very low	57 Å²	57	118.4 Å²	118.4	31%	0.305	65%	0.649	S	S	.	*			trans	-119.3	112	164.1	174.9	26.6	0	0	0	110.9	S443 H447 T448 E449	S443-D445 PolarHBondContact O-N 3.2Å; D445-H447 PolarHBondContact O-N 2.83Å; D445-H447 PolarHBondContact OD1-N 3.24Å; D445-H447 IonicContact OD1-ND1 3.51Å; D445-T448 WeakPolarHBondContact OD2-CB 3.43Å; D445-T448 WeakPolarHBondContact OD2-CG2 3.5Å; D445-T448 PolarHBondContact OD2-N 3.11Å; D445-T448 PolarHBondContact OD2-OG1 3.41Å; D445-E449 PolarHBondContact O-N 2.78Å
446	L	40.3	Very low	49.8	Very low	162 Å²	162	113.6 Å²	113.6	85%	0.848	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-13.1	-178.3	-76.3	152.5	0	0	0	114.2
447	H	44.4	Very low	52.4	Low	125 Å²	125	106.6 Å²	106.6	58%	0.579	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-12.4	-175.2	-60.8	88.4	0	0	0	114.5	D445	D445-H447 PolarHBondContact O-N 2.83Å; D445-H447 PolarHBondContact OD1-N 3.24Å; D445-H447 IonicContact OD1-ND1 3.51Å
448	T	51.6	Low	55.2	Low	80 Å²	80	99.7 Å²	99.7	49%	0.491	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-16.3	-178.7	63.1	0	0	0	0	115.2	D445	D445-T448 WeakPolarHBondContact OD2-CB 3.43Å; D445-T448 WeakPolarHBondContact OD2-CG2 3.5Å; D445-T448 PolarHBondContact OD2-N 3.11Å; D445-T448 PolarHBondContact OD2-OG1 3.41Å
449	E	54.6	Low	58.4	Low	117 Å²	117	96.9 Å²	96.9	55%	0.547	51%	0.509	S	S	.	.			trans	-88.5	120.2	176.9	-62.4	-166.2	135.6	0	0	112.4	D445	D445-E449 PolarHBondContact O-N 2.78Å
450	Q	60.7	Low	61	Low	96 Å²	96	86.8 Å²	86.8	45%	0.449	47%	0.466	S	S	.	.			trans	-104.1	123.6	172.9	-64.9	-172.5	15.3	0	0	111.5	M267 I452	M267-Q450 PolarHBondContact O-OE1 2.93Å; Q450-I452 HydrophobicContact CB-CD1 4.36Å; Q450-I452 HydrophobicContact CB-CG1 4.04Å; Q450-I452 PolarHBondContact O-N 2.78Å
451	C	66.1	Low	64.2	Low	133 Å²	133	78.2 Å²	78.2	90%	0.899	43%	0.426	S	S	*	.			trans	-80.1	92.9	172.1	-71.2	0	0	0	0	110.9
452	I	72.5	Confident	67.3	Low	31 Å²	31	73 Å²	73	16%	0.159	39%	0.388	C	S	.	.			trans	-101.5	130.4	178.7	-42.6	-172.6	0	0	0	110	P264 M267 V269 Q450 I457	P264-I452 HydrophobicContact CB-CD1 4.19Å; P264-I452 VanDerWaalsContact O-CD1 3.27Å; P264-I452 WeakPolarHBondContact O-CD1 3.42Å; M267-I452 HydrophobicContact CB-CD1 4.15Å; M267-I452 HydrophobicContact CE-CG2 3.94Å; M267-I452 HydrophobicContact SD-CD1 4.34Å; M267-I452 HydrophobicContact SD-CG2 4.2Å; V269-I452 HydrophobicContact CG2-CD1 3.73Å; V269-I452 HydrophobicContact CG2-CG1 3.88Å; V269-I452 HydrophobicContact CG2-CG2 4.39Å; Q450-I452 HydrophobicContact CB-CD1 4.36Å; Q450-I452 HydrophobicContact CB-CG1 4.04Å; Q450-I452 PolarHBondContact O-N 2.78Å; I452-I457 HydrophobicContact CB-CD1 4.4Å; I452-I457 HydrophobicContact CG2-CD1 4.11Å; I452-I457 HydrophobicContact CG2-CG1 3.79Å
453	A	79.8	Confident	70.5	Confident	56 Å²	56	67.4 Å²	67.4	46%	0.463	36%	0.36	S	S	.	.			trans	-74.3	144.7	176.2	0	0	0	0	0	111.9	K455 S456 I457	A453-K455 PolarHBondContact O-N 3.3Å; A453-S456 WeakPolarHBondContact O-CB 3.46Å; A453-S456 PolarHBondContact O-N 3.03Å; A453-I457 PolarHBondContact O-N 3.1Å
454	D	83.1	Confident	73.6	Confident	89 Å²	89	62.3 Å²	62.3	48%	0.476	32%	0.324	S	S	.	.	H	α-helix	trans	-55	-36.1	178.6	-75.9	6.8	0	0	0	112.8	Y255 A458	Y255-D454 HydrophobicContact CD2-CB 3.73Å; Y255-D454 HydrophobicContact CE2-CB 3.82Å; Y255-D454 WeakPolarHBondContact CE2-OD1 3.32Å; Y255-D454 HydrophobicContact CG-CB 4.11Å; Y255-D454 PolarHBondContact OH-OD1 2.88Å; D454-A458 PolarHBondContact O-N 2.91Å
455	K	88.3	Confident	76.4	Confident	112 Å²	112	53.2 Å²	53.2	49%	0.487	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-50.2	173.2	166.3	157.4	165.3	48.4	0	111.3	E214 A453 I457 A458 D459	E214-K455 IonicContact OE1-NZ 2.85Å; E214-K455 PolarHBondContact OE1-NZ 3.44Å; A453-K455 PolarHBondContact O-N 3.3Å; K455-I457 PolarHBondContact O-N 3.21Å; K455-A458 WeakPolarHBondContact O-CA 3.29Å; K455-A458 VanDerWaalsContact O-CB 3.3Å; K455-A458 WeakPolarHBondContact O-CB 3.45Å; K455-A458 PolarHBondContact O-N 2.91Å; K455-D459 WeakPolarHBondContact CE-OD2 3.37Å; K455-D459 VanDerWaalsContact CG-OD1 3.31Å; K455-D459 WeakPolarHBondContact CG-OD1 3.47Å; K455-D459 WeakPolarHBondContact CG-OD2 3.37Å; K455-D459 IonicContact NZ-OD1 3.95Å; K455-D459 PolarHBondContact NZ-OD1 3.41Å; K455-D459 IonicContact NZ-OD2 2.67Å; K455-D459 PolarHBondContact NZ-OD2 2.94Å; K455-D459 PolarHBondContact O-N 3.15Å
456	S	88.7	Confident	79.2	Confident	25 Å²	25	50.5 Å²	50.5	18%	0.175	27%	0.274	C	S	.	.	H	α-helix	trans	-56.1	-30.5	-178	-55.5	0	0	0	0	113.8	M267 A453 C460	M267-S456 WeakPolarHBondContact CE-O 3.5Å; A453-S456 WeakPolarHBondContact O-CB 3.46Å; A453-S456 PolarHBondContact O-N 3.03Å; S456-C460 VanDerWaalsContact O-CB 3.29Å; S456-C460 WeakPolarHBondContact O-CB 3.22Å; S456-C460 PolarHBondContact O-N 2.98Å; S456-C460 VanDerWaalsContact O-N 3.08Å
457	I	87.1	Confident	81.6	Confident	6 Å²	6	42.8 Å²	42.8	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-74.5	-34.4	175.4	-63.9	156	0	0	0	111.5	Y255 P264 M267 I452 A453 K455 V461	Y255-I457 HydrophobicContact CD2-CB 4.04Å; Y255-I457 HydrophobicContact CD2-CD1 3.84Å; Y255-I457 HydrophobicContact CD2-CG2 4.11Å; Y255-I457 HydrophobicContact CE2-CD1 3.66Å; P264-I457 HydrophobicContact CB-CD1 4.39Å; P264-I457 HydrophobicContact CG-CD1 3.77Å; P264-I457 HydrophobicContact CG-CG1 4.11Å; P264-I457 HydrophobicContact CG-CG2 4.44Å; M267-I457 HydrophobicContact SD-CG1 3.89Å; I452-I457 HydrophobicContact CB-CD1 4.4Å; I452-I457 HydrophobicContact CG2-CD1 4.11Å; I452-I457 HydrophobicContact CG2-CG1 3.79Å; A453-I457 PolarHBondContact O-N 3.1Å; K455-I457 PolarHBondContact O-N 3.21Å; I457-V461 WeakPolarHBondContact O-CG2 3.48Å; I457-V461 PolarHBondContact O-N 2.9Å
458	A	91.1	Very high	83.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-46.3	171.9	0	0	0	0	0	111.3	N251 L254 D454 K455 C460 V461 E462	N251-A458 HydrophobicContact CB-CB 3.73Å; L254-A458 HydrophobicContact CB-CB 3.72Å; L254-A458 HydrophobicContact CD1-CB 4.41Å; D454-A458 PolarHBondContact O-N 2.91Å; K455-A458 WeakPolarHBondContact O-CA 3.29Å; K455-A458 VanDerWaalsContact O-CB 3.3Å; K455-A458 WeakPolarHBondContact O-CB 3.45Å; K455-A458 PolarHBondContact O-N 2.91Å; A458-C460 PolarHBondContact O-N 3.4Å; A458-V461 WeakPolarHBondContact O-CA 3.17Å; A458-V461 VanDerWaalsContact O-CB 3.32Å; A458-V461 WeakPolarHBondContact O-CB 3.44Å; A458-V461 PolarHBondContact O-N 3.08Å; A458-E462 PolarHBondContact O-N 2.8Å
459	D	94	Very high	85.8	Confident	11 Å²	11	33.7 Å²	33.7	6%	0.059	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-36.8	178.7	-51	-13.9	0	0	0	111.2	L210 E214 K455 E462 A463	L210-D459 HydrophobicContact CD1-CB 4.08Å; E214-D459 HydrophobicContact CG-CB 4.07Å; K455-D459 WeakPolarHBondContact CE-OD2 3.37Å; K455-D459 VanDerWaalsContact CG-OD1 3.31Å; K455-D459 WeakPolarHBondContact CG-OD1 3.47Å; K455-D459 WeakPolarHBondContact CG-OD2 3.37Å; K455-D459 IonicContact NZ-OD1 3.95Å; K455-D459 PolarHBondContact NZ-OD1 3.41Å; K455-D459 IonicContact NZ-OD2 2.67Å; K455-D459 PolarHBondContact NZ-OD2 2.94Å; K455-D459 PolarHBondContact O-N 3.15Å; D459-E462 PolarHBondContact O-N 2.76Å; D459-A463 WeakPolarHBondContact O-CB 3.41Å; D459-A463 PolarHBondContact O-N 3.05Å
460	C	92.9	Very high	87.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-35.7	172.4	-178.1	0	0	0	0	113.3	A198 L210 M267 S456 A458 E462 A463 L464	A198-C460 PolarHBondContact O-SG 2.91Å; L210-C460 HydrophobicContact CD2-CB 4.08Å; M267-C460 HydrophobicContact CE-CB 3.87Å; M267-C460 HydrophobicContact SD-CB 4.08Å; S456-C460 VanDerWaalsContact O-CB 3.29Å; S456-C460 WeakPolarHBondContact O-CB 3.22Å; S456-C460 PolarHBondContact O-N 2.98Å; S456-C460 VanDerWaalsContact O-N 3.08Å; A458-C460 PolarHBondContact O-N 3.4Å; C460-E462 VanDerWaalsContact C-N 3.31Å; C460-A463 PolarHBondContact O-N 2.9Å; C460-L464 WeakPolarHBondContact O-CB 3.47Å; C460-L464 VanDerWaalsContact O-CG 3.29Å; C460-L464 WeakPolarHBondContact O-CG 3.36Å; C460-L464 PolarHBondContact O-N 2.95Å
461	V	93.9	Very high	88.9	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-40.5	171.5	169.4	0	0	0	0	110.7	L254 L263 I457 A458 L465 L484	L254-V461 HydrophobicContact CD2-CG1 4.29Å; L263-V461 HydrophobicContact CD1-CG2 3.49Å; L263-V461 VanDerWaalsContact CD1-CG2 3.49Å; I457-V461 WeakPolarHBondContact O-CG2 3.48Å; I457-V461 PolarHBondContact O-N 2.9Å; A458-V461 WeakPolarHBondContact O-CA 3.17Å; A458-V461 VanDerWaalsContact O-CB 3.32Å; A458-V461 WeakPolarHBondContact O-CB 3.44Å; A458-V461 PolarHBondContact O-N 3.08Å; V461-L465 PolarHBondContact O-N 2.57Å; V461-L484 HydrophobicContact CG1-CD1 3.67Å
462	E	96.1	Very high	89.9	Confident	11 Å²	11	23.4 Å²	23.4	5%	0.051	14%	0.136	C	C	.	.	H	α-helix	trans	-68.8	-42.5	176.9	-67.5	170.4	140.2	0	0	110.9	E214 G217 L221 L254 A458 D459 C460 L464 L465 G466	E214-E462 HydrophobicContact CG-CB 4.44Å; G217-E462 WeakPolarHBondContact CA-O 3.47Å; L221-E462 HydrophobicContact CD2-CG 4.14Å; L254-E462 HydrophobicContact CD1-CG 3.85Å; L254-E462 WeakPolarHBondContact CD1-OE1 3.29Å; A458-E462 PolarHBondContact O-N 2.8Å; D459-E462 PolarHBondContact O-N 2.76Å; C460-E462 VanDerWaalsContact C-N 3.31Å; E462-L464 PolarHBondContact O-N 3.48Å; E462-L465 WeakPolarHBondContact O-CB 3.42Å; E462-L465 PolarHBondContact O-N 3.12Å; E462-L465 VanDerWaalsContact O-N 3.15Å; E462-G466 PolarHBondContact O-N 2.85Å
463	A	95.3	Very high	90.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64	-38.2	175.1	0	0	0	0	0	113.6	A198 L210 L213 E214 D459 C460 L465 G466 C467	A198-A463 HydrophobicContact CB-CB 3.9Å; L210-A463 HydrophobicContact CB-CB 3.67Å; L210-A463 HydrophobicContact CD1-CB 4.2Å; L210-A463 HydrophobicContact CG-CB 4.38Å; L213-A463 HydrophobicContact CB-CB 3.87Å; E214-A463 HydrophobicContact CB-CB 4.4Å; D459-A463 WeakPolarHBondContact O-CB 3.41Å; D459-A463 PolarHBondContact O-N 3.05Å; C460-A463 PolarHBondContact O-N 2.9Å; A463-L465 VanDerWaalsContact C-N 3.34Å; A463-G466 PolarHBondContact O-N 3.36Å; A463-C467 WeakPolarHBondContact O-CB 3.42Å; A463-C467 PolarHBondContact O-N 2.8Å
464	L	93	Very high	91.2	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-39.6	172.7	-73.8	168.6	0	0	0	111.1	I195 A198 L263 M354 C460 E462 C467 Y468 F480	I195-L464 HydrophobicContact CG2-CD2 4.45Å; A198-L464 HydrophobicContact CB-CD2 3.76Å; A198-L464 HydrophobicContact CB-CG 4.04Å; L263-L464 HydrophobicContact CD1-CD1 3.89Å; L263-L464 HydrophobicContact CD2-CD1 3.6Å; L263-L464 HydrophobicContact CG-CD1 4.44Å; M354-L464 HydrophobicContact CE-CD2 4.07Å; C460-L464 WeakPolarHBondContact O-CB 3.47Å; C460-L464 VanDerWaalsContact O-CG 3.29Å; C460-L464 WeakPolarHBondContact O-CG 3.36Å; C460-L464 PolarHBondContact O-N 2.95Å; E462-L464 PolarHBondContact O-N 3.48Å; L464-C467 WeakPolarHBondContact O-CB 3.44Å; L464-C467 PolarHBondContact O-N 3.13Å; L464-Y468 WeakPolarHBondContact O-CD2 3.36Å; L464-Y468 PolarHBondContact O-N 3.33Å; L464-F480 HydrophobicContact CB-CE1 4.26Å; L464-F480 HydrophobicContact CB-CE2 4.46Å; L464-F480 HydrophobicContact CB-CZ 3.69Å
465	L	94.8	Very high	91.4	Very high	2 Å²	2	21 Å²	21	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-60.4	-44.9	172.5	-179.2	68.5	0	0	0	111.9	G217 F220 L221 V461 E462 A463 C467 Y468 L469 A477 F480 L481	G217-L465 WeakPolarHBondContact O-CD2 3.33Å; F220-L465 HydrophobicContact CD1-CD1 4.15Å; F220-L465 HydrophobicContact CD1-CD2 4.16Å; F220-L465 HydrophobicContact CD1-CG 4.19Å; F220-L465 HydrophobicContact CE1-CD1 4.45Å; L221-L465 HydrophobicContact CB-CD2 3.66Å; L221-L465 HydrophobicContact CD1-CD2 4.33Å; V461-L465 PolarHBondContact O-N 2.57Å; E462-L465 WeakPolarHBondContact O-CB 3.42Å; E462-L465 PolarHBondContact O-N 3.12Å; E462-L465 VanDerWaalsContact O-N 3.15Å; A463-L465 VanDerWaalsContact C-N 3.34Å; L465-C467 VanDerWaalsContact C-N 3.29Å; L465-C467 PolarHBondContact O-N 3.34Å; L465-Y468 PolarHBondContact O-N 2.82Å; L465-L469 VanDerWaalsContact O-CB 3.29Å; L465-L469 WeakPolarHBondContact O-CB 3.47Å; L465-L469 PolarHBondContact O-N 3.21Å; L465-A477 HydrophobicContact CD1-CB 3.84Å; L465-A477 WeakPolarHBondContact CD1-O 3.31Å; L465-F480 HydrophobicContact CB-CD1 4.26Å; L465-F480 HydrophobicContact CB-CE1 4.08Å; L465-F480 HydrophobicContact CD1-CD1 3.84Å; L465-F480 HydrophobicContact CD1-CE1 4.48Å; L465-L481 HydrophobicContact CD1-CD1 4.08Å; L465-L481 HydrophobicContact CD1-CD2 3.83Å; L465-L481 HydrophobicContact CD1-CG 3.7Å; L465-L481 HydrophobicContact CD2-CD1 4.37Å; L465-L481 HydrophobicContact CD2-CD2 3.96Å; L465-L481 HydrophobicContact CD2-CG 4.45Å; L465-L481 HydrophobicContact CG-CD2 4.48Å
466	G	93.9	Very high	91.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.8	-36	174.3	0	0	0	0	0	113	E462 A463 L469 T470	E462-G466 PolarHBondContact O-N 2.85Å; A463-G466 PolarHBondContact O-N 3.36Å; G466-L469 PolarHBondContact O-N 3.17Å; G466-T470 WeakPolarHBondContact O-CB 3.34Å; G466-T470 PolarHBondContact O-N 2.9Å; G466-T470 PolarHBondContact O-OG1 3.46Å
467	C	92.6	Very high	91.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.7	-45.8	175.2	178.3	0	0	0	0	112.3	P190 L194 A198 L213 A463 L464 L465 S471	P190-C467 WeakPolarHBondContact CB-SG 2.99Å; L194-C467 VanDerWaalsContact C-SG 3.52Å; L194-C467 WeakPolarHBondContact CB-SG 3.26Å; A198-C467 HydrophobicContact CB-CB 4.31Å; L213-C467 HydrophobicContact CD1-CB 4.42Å; A463-C467 WeakPolarHBondContact O-CB 3.42Å; A463-C467 PolarHBondContact O-N 2.8Å; L464-C467 WeakPolarHBondContact O-CB 3.44Å; L464-C467 PolarHBondContact O-N 3.13Å; L465-C467 VanDerWaalsContact C-N 3.29Å; L465-C467 PolarHBondContact O-N 3.34Å; C467-S471 WeakPolarHBondContact O-CB 3.19Å; C467-S471 PolarHBondContact O-N 3.13Å; C467-S471 VanDerWaalsContact O-N 3.12Å; C467-S471 PolarHBondContact O-OG 2.9Å
468	Y	91.1	Very high	91.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.6	-41.6	173.2	-88.3	-89	0	0	0	112	P190 F350 I351 M354 L464 L465 S471 C472 G473 F480	P190-Y468 VanDerWaalsContact CD-CZ 3.48Å; P190-Y468 HydrophobicContact CG-CD1 3.7Å; P190-Y468 HydrophobicContact CG-CD2 3.75Å; P190-Y468 HydrophobicContact CG-CE1 3.63Å; P190-Y468 HydrophobicContact CG-CE2 3.66Å; P190-Y468 HydrophobicContact CG-CG 3.75Å; F350-Y468 WeakPolarHBondContact CD1-OH 3.41Å; F350-Y468 WeakPolarHBondContact CE1-OH 3.45Å; I351-Y468 HydrophobicContact CD1-CE1 4.06Å; I351-Y468 HydrophobicContact CG1-CE1 3.56Å; I351-Y468 HydrophobicContact CG1-CE2 4.43Å; I351-Y468 VanDerWaalsContact CG1-OH 3.29Å; I351-Y468 WeakPolarHBondContact CG1-OH 3.48Å; M354-Y468 HydrophobicContact CE-CE2 4.19Å; M354-Y468 HydrophobicContact SD-CE2 4.3Å; M354-Y468 PolarHBondContact SD-OH 2.75Å; L464-Y468 WeakPolarHBondContact O-CD2 3.36Å; L464-Y468 PolarHBondContact O-N 3.33Å; L465-Y468 PolarHBondContact O-N 2.82Å; Y468-S471 PolarHBondContact O-N 3.2Å; Y468-C472 WeakPolarHBondContact O-CA 3.34Å; Y468-C472 WeakPolarHBondContact O-CB 3.38Å; Y468-C472 PolarHBondContact O-N 2.85Å; Y468-G473 PolarHBondContact O-N 2.88Å; Y468-F480 HydrophobicContact CD1-CB 4.46Å; Y468-F480 HydrophobicContact CD2-CB 4.48Å; Y468-F480 AromaticContact CD2-CD2 3.71Å; Y468-F480 HydrophobicContact CD2-CD2 3.71Å; Y468-F480 HydrophobicContact CD2-CE2 4.01Å; Y468-F480 HydrophobicContact CD2-CG 4.02Å; Y468-F480 AromaticContact CE2-CD2 3.68Å; Y468-F480 HydrophobicContact CE2-CD2 3.68Å; Y468-F480 AromaticContact CE2-CE2 3.85Å; Y468-F480 HydrophobicContact CE2-CE2 3.85Å; Y468-F480 HydrophobicContact CE2-CG 4.43Å; Y468-F480 HydrophobicContact CG-CB 4.24Å; Y468-F480 HydrophobicContact CG-CD2 4.29Å; Y468-F480 HydrophobicContact CG-CG 4.26Å
469	L	92.7	Very high	91.6	Very high	14 Å²	14	16 Å²	16	7%	0.073	9%	0.093	C	C	.	.	H	α-helix	trans	-63.5	-46.3	179.3	-178.5	61.2	0	0	0	112.4	L216 F220 L465 G466 G473 E474 A477 Y612	L216-L469 HydrophobicContact CD1-CD2 4.4Å; L216-L469 HydrophobicContact CD2-CD2 4.44Å; L216-L469 HydrophobicContact CG-CD2 4.12Å; F220-L469 HydrophobicContact CB-CD2 3.55Å; F220-L469 HydrophobicContact CD1-CD1 4.41Å; F220-L469 HydrophobicContact CD1-CD2 4.14Å; F220-L469 HydrophobicContact CD2-CD1 4Å; F220-L469 HydrophobicContact CD2-CD2 3.87Å; F220-L469 HydrophobicContact CE1-CD1 4.38Å; F220-L469 HydrophobicContact CE2-CD1 3.96Å; F220-L469 HydrophobicContact CG-CD1 4.22Å; F220-L469 HydrophobicContact CG-CD2 3.57Å; F220-L469 HydrophobicContact CZ-CD1 4.15Å; L465-L469 VanDerWaalsContact O-CB 3.29Å; L465-L469 WeakPolarHBondContact O-CB 3.47Å; L465-L469 PolarHBondContact O-N 3.21Å; G466-L469 PolarHBondContact O-N 3.17Å; L469-G473 WeakPolarHBondContact O-CA 2.92Å; L469-G473 PolarHBondContact O-N 2.82Å; L469-G473 VanDerWaalsContact O-N 3.11Å; L469-E474 HydrophobicContact CD1-CB 4.28Å; L469-E474 HydrophobicContact CD1-CG 3.52Å; L469-A477 HydrophobicContact CB-CB 4.07Å; L469-A477 HydrophobicContact CD1-CB 4.18Å; L469-Y612 HydrophobicContact CD2-CE2 3.75Å
470	T	91	Very high	91.4	Very high	67 Å²	67	15.6 Å²	15.6	41%	0.411	9%	0.09	S	C	.	.	H	α-helix	trans	-68.3	-33.4	179.6	-51.3	0	0	0	0	112.2	G466	G466-T470 WeakPolarHBondContact O-CB 3.34Å; G466-T470 PolarHBondContact O-N 2.9Å; G466-T470 PolarHBondContact O-OG1 3.46Å
471	S	88.5	Confident	91.3	Very high	39 Å²	39	15.6 Å²	15.6	27%	0.273	9%	0.091	S	C	.	.	H	α-helix	trans	-94.6	-32.9	-173.4	-49.5	0	0	0	0	114.2	L194 C467 Y468	L194-S471 WeakPolarHBondContact CD1-OG 3.36Å; C467-S471 WeakPolarHBondContact O-CB 3.19Å; C467-S471 PolarHBondContact O-N 3.13Å; C467-S471 VanDerWaalsContact O-N 3.12Å; C467-S471 PolarHBondContact O-OG 2.9Å; Y468-S471 PolarHBondContact O-N 3.2Å
472	C	87.1	Confident	91.1	Very high	24 Å²	24	16 Å²	16	16%	0.162	9%	0.093	C	C	.	.	H	α-helix	trans	-131.4	-1.6	-166.4	-50.3	0	0	0	0	113.2	Y468 A476	Y468-C472 WeakPolarHBondContact O-CA 3.34Å; Y468-C472 WeakPolarHBondContact O-CB 3.38Å; Y468-C472 PolarHBondContact O-N 2.85Å; C472-A476 HydrophobicContact CB-CB 3.4Å; C472-A476 WeakPolarHBondContact O-CB 3.46Å
473	G	89.5	Confident	90.7	Very high	29 Å²	29	16.3 Å²	16.3	30%	0.299	10%	0.097	S	C	.	.	H	α-helix	trans	78.5	-179.4	175.8	0	0	0	0	0	115.6	Y468 L469 R475 A476 A477	Y468-G473 PolarHBondContact O-N 2.88Å; L469-G473 WeakPolarHBondContact O-CA 2.92Å; L469-G473 PolarHBondContact O-N 2.82Å; L469-G473 VanDerWaalsContact O-N 3.11Å; G473-R475 PolarHBondContact O-N 3.45Å; G473-A476 PolarHBondContact O-N 2.83Å; G473-A477 PolarHBondContact O-N 2.81Å; G473-A477 VanDerWaalsContact O-N 3.08Å
474	E	90.9	Very high	90.2	Very high	45 Å²	45	16.7 Å²	16.7	21%	0.21	10%	0.099	C	C	.	.	H	α-helix	trans	-67.9	-37.1	-164.5	-66.1	175.7	-165.1	0	0	113.3	F220 L469 A477 Q478 Y612 K616 L725	F220-E474 HydrophobicContact CE2-CB 3.96Å; F220-E474 HydrophobicContact CE2-CG 3.72Å; F220-E474 HydrophobicContact CZ-CB 3.92Å; F220-E474 HydrophobicContact CZ-CG 4.15Å; L469-E474 HydrophobicContact CD1-CB 4.28Å; L469-E474 HydrophobicContact CD1-CG 3.52Å; E474-A477 PolarHBondContact O-N 3.04Å; E474-Q478 VanDerWaalsContact O-CG 3.28Å; E474-Q478 WeakPolarHBondContact O-CG 3.38Å; E474-Q478 PolarHBondContact O-N 3.3Å; E474-Y612 PolarHBondContact OE1-OH 3.11Å; E474-K616 IonicContact OE1-NZ 3.17Å; E474-K616 PolarHBondContact OE1-NZ 2.93Å; E474-L725 WeakPolarHBondContact OE2-CD1 3.4Å
475	R	86.8	Confident	89.8	Confident	52 Å²	52	19.3 Å²	19.3	20%	0.196	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-46.4	175	176.6	61	176.6	-162.5	0.2	111.7	D344 G473 A477 Q478 L479 Y537 G538	D344-R475 IonicContact OD1-NE 2.77Å; D344-R475 IonicContact OD2-CZ 2.64Å; D344-R475 IonicContact OD2-NE 2.7Å; D344-R475 IonicContact OD2-NH2 3.17Å; D344-R475 PolarHBondContact OD2-NH2 3.06Å; G473-R475 PolarHBondContact O-N 3.45Å; R475-A477 VanDerWaalsContact C-N 3.32Å; R475-A477 PolarHBondContact O-N 3.44Å; R475-Q478 PolarHBondContact O-N 3.17Å; R475-L479 HydrophobicContact CG-CD1 4.13Å; R475-L479 WeakPolarHBondContact O-CG 3.47Å; R475-L479 PolarHBondContact O-N 3.18Å; R475-Y537 PolarHBondContact NH2-O 2.77Å; R475-G538 PolarHBondContact NH1-O 3.4Å; R475-G538 VanDerWaalsContact NH1-O 3.11Å
476	A	88.1	Confident	89.5	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-37.9	177.8	0	0	0	0	0	111.9	C472 G473 L479 F480	C472-A476 HydrophobicContact CB-CB 3.4Å; C472-A476 WeakPolarHBondContact O-CB 3.46Å; G473-A476 PolarHBondContact O-N 2.83Å; A476-L479 PolarHBondContact O-N 2.87Å; A476-F480 PolarHBondContact O-N 3.1Å
477	A	91.8	Very high	89.2	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.1	-39.5	173.4	0	0	0	0	0	112.6	F220 L465 L469 G473 E474 R475 F480 L481	F220-A477 HydrophobicContact CD1-CB 4.05Å; F220-A477 HydrophobicContact CE1-CB 3.43Å; F220-A477 VanDerWaalsContact CE1-CB 3.43Å; F220-A477 HydrophobicContact CZ-CB 4.09Å; L465-A477 HydrophobicContact CD1-CB 3.84Å; L465-A477 WeakPolarHBondContact CD1-O 3.31Å; L469-A477 HydrophobicContact CB-CB 4.07Å; L469-A477 HydrophobicContact CD1-CB 4.18Å; G473-A477 PolarHBondContact O-N 2.81Å; G473-A477 VanDerWaalsContact O-N 3.08Å; E474-A477 PolarHBondContact O-N 3.04Å; R475-A477 VanDerWaalsContact C-N 3.32Å; R475-A477 PolarHBondContact O-N 3.44Å; A477-F480 WeakPolarHBondContact O-CB 3.17Å; A477-F480 PolarHBondContact O-N 2.91Å; A477-L481 WeakPolarHBondContact O-CG 3.35Å; A477-L481 PolarHBondContact O-N 2.77Å; A477-L481 VanDerWaalsContact O-N 3.08Å
478	Q	91.3	Very high	89	Confident	39 Å²	39	26.2 Å²	26.2	18%	0.182	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-38.7	172.8	-70.8	164.2	5.5	0	0	112.5	F220 E474 R475 L481 C482 V488 L489	F220-Q478 HydrophobicContact CE1-CG 4.4Å; F220-Q478 HydrophobicContact CZ-CG 4.14Å; E474-Q478 VanDerWaalsContact O-CG 3.28Å; E474-Q478 WeakPolarHBondContact O-CG 3.38Å; E474-Q478 PolarHBondContact O-N 3.3Å; R475-Q478 PolarHBondContact O-N 3.17Å; Q478-L481 PolarHBondContact O-N 3.49Å; Q478-C482 PolarHBondContact O-N 2.73Å; Q478-C482 PolarHBondContact O-SG 2.85Å; Q478-V488 HydrophobicContact CB-CG2 4.27Å; Q478-V488 WeakPolarHBondContact O-CG2 3.35Å; Q478-L489 HydrophobicContact CB-CD1 3.96Å; Q478-L489 HydrophobicContact CB-CG 4.22Å
479	L	87.5	Confident	88.8	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68	-37.5	174.8	-67.7	164.7	0	0	0	111.9	D344 R475 A476 C482 S483 L489 Y537	D344-L479 HydrophobicContact CB-CD1 4.25Å; D344-L479 VanDerWaalsContact CG-CD1 3.49Å; D344-L479 VanDerWaalsContact OD1-CD1 3.23Å; D344-L479 WeakPolarHBondContact OD1-CD1 3.34Å; R475-L479 HydrophobicContact CG-CD1 4.13Å; R475-L479 WeakPolarHBondContact O-CG 3.47Å; R475-L479 PolarHBondContact O-N 3.18Å; A476-L479 PolarHBondContact O-N 2.87Å; L479-C482 WeakPolarHBondContact O-CB 3.42Å; L479-C482 PolarHBondContact O-N 2.93Å; L479-S483 WeakPolarHBondContact O-CB 3.28Å; L479-S483 PolarHBondContact O-N 3.09Å; L479-L489 HydrophobicContact CD2-CD1 4.16Å; L479-Y537 HydrophobicContact CD2-CD2 3.81Å; L479-Y537 HydrophobicContact CD2-CG 4.06Å
480	F	90.4	Very high	88.1	Confident	1 Å²	1	28.1 Å²	28.1	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-49.1	170.5	174.9	-100.9	0	0	0	111.3	I351 L355 L464 L465 Y468 A476 A477 C482 S483 L484	I351-F480 HydrophobicContact CD1-CB 4.08Å; I351-F480 HydrophobicContact CD1-CD2 4.27Å; I351-F480 HydrophobicContact CG1-CD2 4.22Å; I351-F480 HydrophobicContact CG2-CD2 3.95Å; I351-F480 HydrophobicContact CG2-CE2 4.34Å; L355-F480 HydrophobicContact CD1-CE2 4.26Å; L464-F480 HydrophobicContact CB-CE1 4.26Å; L464-F480 HydrophobicContact CB-CE2 4.46Å; L464-F480 HydrophobicContact CB-CZ 3.69Å; L465-F480 HydrophobicContact CB-CD1 4.26Å; L465-F480 HydrophobicContact CB-CE1 4.08Å; L465-F480 HydrophobicContact CD1-CD1 3.84Å; L465-F480 HydrophobicContact CD1-CE1 4.48Å; Y468-F480 HydrophobicContact CD1-CB 4.46Å; Y468-F480 HydrophobicContact CD2-CB 4.48Å; Y468-F480 AromaticContact CD2-CD2 3.71Å; Y468-F480 HydrophobicContact CD2-CD2 3.71Å; Y468-F480 HydrophobicContact CD2-CE2 4.01Å; Y468-F480 HydrophobicContact CD2-CG 4.02Å; Y468-F480 AromaticContact CE2-CD2 3.68Å; Y468-F480 HydrophobicContact CE2-CD2 3.68Å; Y468-F480 AromaticContact CE2-CE2 3.85Å; Y468-F480 HydrophobicContact CE2-CE2 3.85Å; Y468-F480 HydrophobicContact CE2-CG 4.43Å; Y468-F480 HydrophobicContact CG-CB 4.24Å; Y468-F480 HydrophobicContact CG-CD2 4.29Å; Y468-F480 HydrophobicContact CG-CG 4.26Å; A476-F480 PolarHBondContact O-N 3.1Å; A477-F480 WeakPolarHBondContact O-CB 3.17Å; A477-F480 PolarHBondContact O-N 2.91Å; F480-C482 VanDerWaalsContact C-N 3.32Å; F480-C482 PolarHBondContact O-N 2.68Å; F480-S483 PolarHBondContact O-N 3.11Å; F480-S483 VanDerWaalsContact O-N 3.09Å; F480-S483 PolarHBondContact O-OG 3.3Å; F480-L484 HydrophobicContact CD1-CD1 4.2Å; F480-L484 HydrophobicContact CE1-CD1 3.69Å; F480-L484 HydrophobicContact CE1-CG 4.3Å; F480-L484 HydrophobicContact CE2-CD2 4.46Å; F480-L484 HydrophobicContact CZ-CD1 4.01Å; F480-L484 HydrophobicContact CZ-CD2 4.26Å; F480-L484 HydrophobicContact CZ-CG 4.32Å; F480-L484 WeakPolarHBondContact O-CG 3.43Å; F480-L484 PolarHBondContact O-N 3.13Å
481	L	91.5	Very high	87.4	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-57.3	-42.4	174.1	-66.4	175.1	0	0	0	112.7	L221 A224 L465 A477 Q478 S483 L484 G485 L486 V488	L221-L481 HydrophobicContact CD1-CD1 4.26Å; L221-L481 HydrophobicContact CD1-CD2 3.6Å; A224-L481 HydrophobicContact CB-CD1 3.93Å; L465-L481 HydrophobicContact CD1-CD1 4.08Å; L465-L481 HydrophobicContact CD1-CD2 3.83Å; L465-L481 HydrophobicContact CD1-CG 3.7Å; L465-L481 HydrophobicContact CD2-CD1 4.37Å; L465-L481 HydrophobicContact CD2-CD2 3.96Å; L465-L481 HydrophobicContact CD2-CG 4.45Å; L465-L481 HydrophobicContact CG-CD2 4.48Å; A477-L481 WeakPolarHBondContact O-CG 3.35Å; A477-L481 PolarHBondContact O-N 2.77Å; A477-L481 VanDerWaalsContact O-N 3.08Å; Q478-L481 PolarHBondContact O-N 3.49Å; L481-S483 PolarHBondContact O-N 3.44Å; L481-L484 PolarHBondContact O-N 3.31Å; L481-G485 PolarHBondContact O-N 3.22Å; L481-L486 HydrophobicContact CB-CB 4.32Å; L481-L486 HydrophobicContact CD2-CD1 3.79Å; L481-L486 WeakPolarHBondContact O-CB 3.39Å; L481-L486 PolarHBondContact O-N 3.13Å; L481-V488 HydrophobicContact CB-CG1 4.38Å; L481-V488 HydrophobicContact CB-CG2 3.72Å; L481-V488 HydrophobicContact CD1-CG1 4.12Å; L481-V488 HydrophobicContact CD1-CG2 4.19Å
482	C	89.8	Confident	86.5	Confident	11 Å²	11	30.3 Å²	30.3	7%	0.074	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-41.5	175	-64.9	0	0	0	0	112.1	Q478 L479 F480 L484 G485 L486 V488 Y537	Q478-C482 PolarHBondContact O-N 2.73Å; Q478-C482 PolarHBondContact O-SG 2.85Å; L479-C482 WeakPolarHBondContact O-CB 3.42Å; L479-C482 PolarHBondContact O-N 2.93Å; F480-C482 VanDerWaalsContact C-N 3.32Å; F480-C482 PolarHBondContact O-N 2.68Å; C482-L484 VanDerWaalsContact C-N 3.31Å; C482-L484 PolarHBondContact O-N 3.42Å; C482-G485 WeakPolarHBondContact O-CA 3.44Å; C482-G485 PolarHBondContact O-N 3.39Å; C482-L486 WeakPolarHBondContact CA-O 3.46Å; C482-V488 VanDerWaalsContact SG-CG2 3.58Å; C482-Y537 HydrophobicContact CB-CD1 4.2Å; C482-Y537 HydrophobicContact CB-CE1 3.59Å; C482-Y537 HydrophobicContact CB-CE2 4.31Å
483	S	86.2	Confident	84.9	Confident	18 Å²	18	36.3 Å²	36.3	13%	0.126	20%	0.2	C	C	.	.	H	α-helix	trans	-67.2	-27	177.9	82.5	0	0	0	0	113.9	K261 I351 L479 F480 L481 G485	K261-S483 WeakPolarHBondContact CE-O 3.47Å; K261-S483 PolarHBondContact NZ-O 2.88Å; I351-S483 WeakPolarHBondContact CG2-OG 3.47Å; L479-S483 WeakPolarHBondContact O-CB 3.28Å; L479-S483 PolarHBondContact O-N 3.09Å; F480-S483 PolarHBondContact O-N 3.11Å; F480-S483 VanDerWaalsContact O-N 3.09Å; F480-S483 PolarHBondContact O-OG 3.3Å; L481-S483 PolarHBondContact O-N 3.44Å; S483-G485 VanDerWaalsContact C-N 3.31Å
484	L	86.4	Confident	82.9	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-72.1	-26.3	169.3	-64.9	-178.8	0	0	0	111.9	K261 L355 V461 F480 L481 C482	K261-L484 HydrophobicContact CG-CD2 3.86Å; L355-L484 HydrophobicContact CD1-CD2 4.45Å; V461-L484 HydrophobicContact CG1-CD1 3.67Å; F480-L484 HydrophobicContact CD1-CD1 4.2Å; F480-L484 HydrophobicContact CE1-CD1 3.69Å; F480-L484 HydrophobicContact CE1-CG 4.3Å; F480-L484 HydrophobicContact CE2-CD2 4.46Å; F480-L484 HydrophobicContact CZ-CD1 4.01Å; F480-L484 HydrophobicContact CZ-CD2 4.26Å; F480-L484 HydrophobicContact CZ-CG 4.32Å; F480-L484 WeakPolarHBondContact O-CG 3.43Å; F480-L484 PolarHBondContact O-N 3.13Å; L481-L484 PolarHBondContact O-N 3.31Å; C482-L484 VanDerWaalsContact C-N 3.31Å; C482-L484 PolarHBondContact O-N 3.42Å
485	G	84.4	Confident	80.6	Confident	55 Å²	55	43.5 Å²	43.5	57%	0.567	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	110	14	-177.7	0	0	0	0	0	114.9	L481 C482 S483	L481-G485 PolarHBondContact O-N 3.22Å; C482-G485 WeakPolarHBondContact O-CA 3.44Å; C482-G485 PolarHBondContact O-N 3.39Å; S483-G485 VanDerWaalsContact C-N 3.31Å
486	L	88.7	Confident	78.4	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.031	24%	0.241	C	C	.	.			trans	-87	121.7	171.8	-69.5	165.3	0	0	0	109.9	L221 K248 L254 L257 L481 C482 V488	L221-L486 HydrophobicContact CD1-CD1 4.06Å; K248-L486 HydrophobicContact CD-CD2 4.25Å; L254-L486 HydrophobicContact CD2-CD1 4.4Å; L257-L486 HydrophobicContact CD1-CD1 3.95Å; L257-L486 HydrophobicContact CD1-CD2 3.91Å; L257-L486 HydrophobicContact CD1-CG 3.64Å; L481-L486 HydrophobicContact CB-CB 4.32Å; L481-L486 HydrophobicContact CD2-CD1 3.79Å; L481-L486 WeakPolarHBondContact O-CB 3.39Å; L481-L486 PolarHBondContact O-N 3.13Å; C482-L486 WeakPolarHBondContact CA-O 3.46Å; L486-V488 HydrophobicContact CB-CG1 4.48Å; L486-V488 PolarHBondContact O-N 2.85Å
487	K	87.4	Confident	76	Confident	139 Å²	139	51.7 Å²	51.7	60%	0.604	27%	0.265	S	S	*	.			trans	-68.6	102.3	170	-62.3	-177.8	-178.5	177.6	0	108.3	Y228	Y228-K487 WeakPolarHBondContact CD1-O 3.35Å; Y228-K487 HydrophobicContact CE1-CB 3.97Å; Y228-K487 WeakPolarHBondContact CE1-O 3.39Å; Y228-K487 HydrophobicContact CE2-CB 4.41Å
488	V	88	Confident	73.4	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.012	31%	0.305	C	S	.	.			trans	-125.5	-11.8	170.2	-62.4	0	0	0	0	113.6	A224 I225 Y228 Q478 L481 C482 L486	A224-V488 HydrophobicContact CB-CG1 4.43Å; I225-V488 HydrophobicContact CG1-CG1 3.79Å; Y228-V488 WeakPolarHBondContact CD2-O 3.3Å; Q478-V488 HydrophobicContact CB-CG2 4.27Å; Q478-V488 WeakPolarHBondContact O-CG2 3.35Å; L481-V488 HydrophobicContact CB-CG1 4.38Å; L481-V488 HydrophobicContact CB-CG2 3.72Å; L481-V488 HydrophobicContact CD1-CG1 4.12Å; L481-V488 HydrophobicContact CD1-CG2 4.19Å; C482-V488 VanDerWaalsContact SG-CG2 3.58Å; L486-V488 HydrophobicContact CB-CG1 4.48Å; L486-V488 PolarHBondContact O-N 2.85Å
489	L	85.9	Confident	70.9	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.031	33%	0.332	C	S	.	.	S	Bend	trans	-126.3	151.5	172.1	-69.2	173.9	0	0	0	110.1	Q478 L479 Y537	Q478-L489 HydrophobicContact CB-CD1 3.96Å; Q478-L489 HydrophobicContact CB-CG 4.22Å; L479-L489 HydrophobicContact CD2-CD1 4.16Å; L489-Y537 HydrophobicContact CB-CD1 4.07Å
490	P	79.9	Confident	68.7	Low	48 Å²	48	70.3 Å²	70.3	31%	0.312	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-72.4	133.8	174.1	29.8	-32.6	0	0	0	110.7	G538 C539	P490-G538 PolarHBondContact O-N 2.82Å; P490-C539 WeakPolarHBondContact CG-O 3.45Å
491	V	75.5	Confident	66.2	Low	78 Å²	78	77.6 Å²	77.6	47%	0.473	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118	175.8	-178	0	0	0	0	109.7	Y537	V491-Y537 HydrophobicContact CG2-CD1 4.12Å; V491-Y537 HydrophobicContact CG2-CE1 3.77Å
492	I	68.9	Low	63.1	Low	74 Å²	74	83.1 Å²	83.1	38%	0.379	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	129.4	172.3	-59.4	174.5	0	0	0	108.2	E536	I492-E536 HydrophobicContact CB-CB 4.19Å; I492-E536 PolarHBondContact N-O 2.92Å
493	K	54	Low	60.2	Low	150 Å²	150	87.9 Å²	87.9	65%	0.652	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-97.9	130.4	169.2	-66.7	178.7	-177.8	174	0	108.2	T495 D496	K493-T495 PolarHBondContact O-N 3.3Å; K493-D496 PolarHBondContact O-N 3.15Å
494	R	46.7	Very low	57.5	Low	125 Å²	125	93.3 Å²	93.3	47%	0.472	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-57.9	-15.5	-173.6	-78.7	179.8	162.7	178.5	-14.9	115.3	D496 R497 D534 E536	R494-D496 PolarHBondContact O-N 3.18Å; R494-D496 VanDerWaalsContact O-N 3.14Å; R494-R497 PolarHBondContact O-N 3.25Å; R494-D534 IonicContact CZ-OD2 2.78Å; R494-D534 IonicContact NH1-OD2 2.7Å; R494-D534 PolarHBondContact NH1-OD2 3.36Å; R494-E536 IonicContact NE-OE2 3.83Å
495	T	42.7	Very low	54.7	Low	100 Å²	100	103.3 Å²	103.3	61%	0.613	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-58.6	-18.7	176.4	42	0	0	0	0	115.8	K493	K493-T495 PolarHBondContact O-N 3.3Å
496	D	40.9	Very low	51.9	Low	91 Å²	91	109.1 Å²	109.1	49%	0.487	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-95	-12.1	-179.8	-66	-54.2	0	0	0	113.9	K493 R494 E498 K499 A500	K493-D496 PolarHBondContact O-N 3.15Å; R494-D496 PolarHBondContact O-N 3.18Å; R494-D496 VanDerWaalsContact O-N 3.14Å; D496-E498 VanDerWaalsContact C-N 3.28Å; D496-E498 PolarHBondContact O-N 3.48Å; D496-K499 PolarHBondContact O-N 2.88Å; D496-K499 VanDerWaalsContact O-N 3.1Å; D496-A500 PolarHBondContact O-N 3.11Å
497	R	38.2	Very low	49	Very low	133 Å²	133	115.1 Å²	115.1	50%	0.502	58%	0.584	S	S	.	*	H	α-helix	trans	-64.9	-33	179.6	-139.9	175.1	-172.8	-168.6	1.3	111.5	R494 K499 A500 L501	R494-R497 PolarHBondContact O-N 3.25Å; R497-K499 VanDerWaalsContact C-N 3.28Å; R497-K499 PolarHBondContact O-N 3.48Å; R497-A500 PolarHBondContact O-N 3.48Å; R497-L501 PolarHBondContact O-N 3.41Å
498	E	37.7	Very low	46	Very low	179 Å²	179	118.3 Å²	118.3	84%	0.836	60%	0.598	S	S	*	*	H	α-helix	trans	-69	-18.9	175.2	-64.1	-172.6	150.2	0	0	114.3	D496	D496-E498 VanDerWaalsContact C-N 3.28Å; D496-E498 PolarHBondContact O-N 3.48Å
499	K	38.3	Very low	43	Very low	172 Å²	172	124.9 Å²	124.9	75%	0.748	63%	0.633	S	S	*	*	H	α-helix	trans	-94.5	-22.8	174.9	-68.5	177	-174	161.9	0	113.1	D496 R497	D496-K499 PolarHBondContact O-N 2.88Å; D496-K499 VanDerWaalsContact O-N 3.1Å; R497-K499 VanDerWaalsContact C-N 3.28Å; R497-K499 PolarHBondContact O-N 3.48Å
500	A	40.8	Very low	40.2	Very low	79 Å²	79	129.1 Å²	129.1	65%	0.653	66%	0.663	S	S	*	*	H	α-helix	trans	-76.3	-31	179.8	0	0	0	0	0	112.9	D496 R497 C502	D496-A500 PolarHBondContact O-N 3.11Å; R497-A500 PolarHBondContact O-N 3.48Å; A500-C502 PolarHBondContact O-N 3.26Å
501	L	38.5	Very low	37.8	Very low	155 Å²	155	135.2 Å²	135.2	81%	0.812	69%	0.688	S	S	*	*	S	Bend	trans	-99.5	41.1	-169.2	-157.2	71.9	0	0	0	114.6	R497	R497-L501 PolarHBondContact O-N 3.41Å
502	C	26.2	Very low	35.5	Very low	117 Å²	117	138.6 Å²	138.6	79%	0.791	70%	0.698	S	S	*	*			trans	-158.5	69.6	166.6	-122.5	0	0	0	0	116.8	A500	A500-C502 PolarHBondContact O-N 3.26Å
503	P	29.8	Very low	33.5	Very low	111 Å²	111	143 Å²	143	72%	0.721	72%	0.715	S	S	*	*			trans	-78.9	117.2	145.1	32.4	-26.9	0	0	0	107.5
504	T	28.1	Very low	32.2	Very low	132 Å²	132	143 Å²	143	81%	0.81	72%	0.722	S	S	*	*				-178.6	171.2	69.6	-53.8	0	0	0	0	108.6
505	R	27.2	Very low	31.2	Very low	217 Å²	217	145.1 Å²	145.1	82%	0.819	74%	0.742	S	S	*	*			trans	104.2	70	147.3	-156.1	-174.7	-162.9	166.2	5.6	117.8
506	E	25.9	Very low	30.3	Very low	178 Å²	178	145.6 Å²	145.6	83%	0.832	75%	0.749	S	S	*	*			trans	-72.7	162.5	140	-67.6	-161.5	145.8	0	0	111
507	N	27.5	Very low	29.6	Very low	132 Å²	132	148.2 Å²	148.2	71%	0.706	77%	0.768	S	S	*	*			trans	58.8	88	173.7	-65.6	-43.4	0	0	0	117.3
508	F	25.9	Very low	28.9	Very low	206 Å²	206	147.2 Å²	147.2	90%	0.904	78%	0.782	S	S	*	*				-147.8	151.9	102.4	-115.4	-79.9	0	0	0	110.7
509	N	25.3	Very low	28.4	Very low	140 Å²	140	144.3 Å²	144.3	75%	0.749	78%	0.779	S	S	*	*			trans	-95.7	159.2	-161.7	-112.1	-41.7	0	0	0	115.1
510	S	26.7	Very low	27.6	Very low	95 Å²	95	141 Å²	141	66%	0.664	78%	0.784	S	S	*	*			trans	87.1	146.8	153.6	83	0	0	0	0	120.6
511	Q	27.9	Very low	26.8	Very low	176 Å²	176	141.8 Å²	141.8	82%	0.822	79%	0.791	S	S	*	*			trans	70.1	137.3	171.1	-51.5	-174.8	27.7	0	0	116.9
512	Q	28.9	Very low	26.2	Very low	149 Å²	149	139.6 Å²	139.6	70%	0.696	80%	0.795	S	S	*	*			cis	-168	134	-27.8	-127.2	-170.3	41.7	0	0	109.4
513	K	26.2	Very low	26.2	Very low	165 Å²	165	139.4 Å²	139.4	72%	0.717	80%	0.795	S	S	*	*			trans	65.9	156.7	153	-66.6	175	174.5	173.1	0	121.4
514	N	25.9	Very low	26	Very low	152 Å²	152	141 Å²	141	81%	0.813	80%	0.802	S	S	*	*			trans	73.9	116.6	166.3	-49.4	-26.1	0	0	0	115.5
515	L	27	Very low	25.8	Very low	169 Å²	169	139.6 Å²	139.6	89%	0.885	80%	0.804	S	S	*	*			cis	90.3	68.3	14.9	-149.2	112.3	0	0	0	117.5
516	S	24.4	Very low	25.9	Very low	110 Å²	110	135.1 Å²	135.1	77%	0.769	81%	0.806	S	S	*	*			trans	-168.4	113.7	152.3	52.8	0	0	0	0	108
517	V	25.7	Very low	25.9	Very low	146 Å²	146	132 Å²	132	89%	0.885	80%	0.804	S	S	*	*				62.6	95.3	67.4	-175.5	0	0	0	0	113.5
518	S	24	Very low	26	Very low	112 Å²	112	137.7 Å²	137.7	78%	0.783	82%	0.816	S	S	*	*				-161.3	156.2	123.4	-163.4	0	0	0	0	110.3
519	C	25.2	Very low	26	Very low	117 Å²	117	133.4 Å²	133.4	79%	0.791	81%	0.811	S	S	*	*			trans	-129.6	178.2	177	-60.5	0	0	0	0	110.1
520	A	23.5	Very low	26.1	Very low	102 Å²	102	131.3 Å²	131.3	84%	0.843	81%	0.807	S	S	*	*			trans	71.6	150.4	168	0	0	0	0	0	117
521	A	23.5	Very low	26.4	Very low	97 Å²	97	133.7 Å²	133.7	80%	0.802	82%	0.817	S	S	*	*			cis	-167.1	147.6	-23.5	0	0	0	0	0	110.1
522	A	24.8	Very low	26.8	Very low	108 Å²	108	132.1 Å²	132.1	89%	0.893	81%	0.814	S	S	*	*			trans	-160.7	116.9	153	0	0	0	0	0	109.2
523	S	26.3	Very low	27.3	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	82%	0.819	S	S	*	*			trans	-127.7	171.6	172	59.5	0	0	0	0	109.9
524	V	26.8	Very low	28.1	Very low	144 Å²	144	131.2 Å²	131.2	87%	0.873	81%	0.813	S	S	*	*			trans	81.6	86	176	-166	0	0	0	0	116
525	A	23.8	Very low	29.3	Very low	102 Å²	102	126.3 Å²	126.3	84%	0.843	79%	0.791	S	S	*	*				-143.5	133.1	125.6	0	0	0	0	0	107.7
526	S	28.8	Very low	31.1	Very low	124 Å²	124	120.3 Å²	120.3	87%	0.867	76%	0.758	S	S	*	*			trans	-143.5	118.7	178.4	-179.1	0	0	0	0	110.6
527	S	25.6	Very low	33.5	Very low	112 Å²	112	117.3 Å²	117.3	78%	0.783	73%	0.73	S	S	*	*			trans	-152.5	81.4	179.8	56	0	0	0	0	111.1
528	R	28.9	Very low	35.7	Very low	252 Å²	252	110.8 Å²	110.8	95%	0.951	69%	0.693	S	S	*	*			trans	33.8	86	153.5	-63.9	176.5	174.3	165.6	-2.7	116.8
529	S	26.7	Very low	38	Very low	116 Å²	116	110 Å²	110	81%	0.811	69%	0.686	S	S	*	*			trans	-85.6	149.7	147.5	-167.7	0	0	0	0	109.5
530	S	28	Very low	40.5	Very low	95 Å²	95	106 Å²	106	66%	0.664	66%	0.657	S	S	*	*			trans	-76.7	144.1	178.4	48.1	0	0	0	0	111.5	L532	S530-L532 VanDerWaalsContact C-N 3.26Å; S530-L532 PolarHBondContact O-N 3.49Å
531	V	32.8	Very low	43	Very low	145 Å²	145	109.6 Å²	109.6	88%	0.879	65%	0.653	S	S	*	*			trans	-78	77.6	178.7	-173.2	0	0	0	0	110
532	L	35.8	Very low	45.7	Very low	143 Å²	143	107.9 Å²	107.9	75%	0.749	63%	0.63	S	S	*	*			trans	-67.6	142.9	155.2	-74.1	166.6	0	0	0	108.4	S530 D534	S530-L532 VanDerWaalsContact C-N 3.26Å; S530-L532 PolarHBondContact O-N 3.49Å; L532-D534 PolarHBondContact O-N 3.14Å
533	K	40.7	Very low	48	Very low	183 Å²	183	103.5 Å²	103.5	80%	0.796	59%	0.593	S	S	*	*			trans	-83.8	101.7	179.5	-74.1	-176.8	175.4	-178.8	0	109.7	S535	K533-S535 PolarHBondContact O-N 2.79Å; K533-S535 PolarHBondContact O-OG 3.25Å
534	D	42	Very low	49.6	Very low	112 Å²	112	104.1 Å²	104.1	60%	0.599	59%	0.594	S	S	*	*			trans	-50.5	105.9	160.8	-83.2	21.7	0	0	0	108.9	R494 L532	R494-D534 IonicContact CZ-OD2 2.78Å; R494-D534 IonicContact NH1-OD2 2.7Å; R494-D534 PolarHBondContact NH1-OD2 3.36Å; L532-D534 PolarHBondContact O-N 3.14Å
535	S	50.5	Low	51.4	Low	49 Å²	49	104.5 Å²	104.5	34%	0.343	58%	0.58	S	S	.	*			trans	-144.7	98.1	-177.5	-68.9	0	0	0	0	107.6	K533	K533-S535 PolarHBondContact O-N 2.79Å; K533-S535 PolarHBondContact O-OG 3.25Å
536	E	65.4	Low	53.5	Low	43 Å²	43	100.7 Å²	100.7	20%	0.201	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.8	-173	-170.7	178.6	129.8	0	0	108.8	L341 I492 R494	L341-E536 HydrophobicContact CD2-CG 4.12Å; I492-E536 HydrophobicContact CB-CB 4.19Å; I492-E536 PolarHBondContact N-O 2.92Å; R494-E536 IonicContact NE-OE2 3.83Å
537	Y	74.5	Confident	55.7	Low	47 Å²	47	96.9 Å²	96.9	18%	0.184	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.4	-176.5	-69	-77.6	0	0	0	110.7	I348 R475 L479 C482 L489 V491	I348-Y537 HydrophobicContact CD1-CD2 4.15Å; I348-Y537 HydrophobicContact CD1-CE2 3.8Å; R475-Y537 PolarHBondContact NH2-O 2.77Å; L479-Y537 HydrophobicContact CD2-CD2 3.81Å; L479-Y537 HydrophobicContact CD2-CG 4.06Å; C482-Y537 HydrophobicContact CB-CD1 4.2Å; C482-Y537 HydrophobicContact CB-CE1 3.59Å; C482-Y537 HydrophobicContact CB-CE2 4.31Å; L489-Y537 HydrophobicContact CB-CD1 4.07Å; V491-Y537 HydrophobicContact CG2-CD1 4.12Å; V491-Y537 HydrophobicContact CG2-CE1 3.77Å
538	G	72.7	Confident	58.3	Low	9 Å²	9	96.9 Å²	96.9	9%	0.093	50%	0.502	C	S	.	.			trans	-71.3	-180	177.3	0	0	0	0	0	113.2	R475 P490	R475-G538 PolarHBondContact NH1-O 3.4Å; R475-G538 VanDerWaalsContact NH1-O 3.11Å; P490-G538 PolarHBondContact O-N 2.82Å
539	C	71.9	Confident	60.5	Low	97 Å²	97	93 Å²	93	66%	0.655	50%	0.5	S	S	*	.			trans	-87.4	149	162.1	-64.3	0	0	0	0	110	P490	P490-C539 WeakPolarHBondContact CG-O 3.45Å
540	L	78.7	Confident	62.9	Low	31 Å²	31	90.4 Å²	90.4	16%	0.162	48%	0.475	C	S	.	.			trans	-60.7	147.5	168.4	-80.6	169.6	0	0	0	110.3	T227 Y228 C231 M723	T227-L540 HydrophobicContact CG2-CD1 4.05Å; Y228-L540 HydrophobicContact CD2-CD2 4.05Å; C231-L540 HydrophobicContact CB-CD2 4.25Å; L540-M723 HydrophobicContact CB-CE 4Å; L540-M723 HydrophobicContact CB-SD 4.28Å; L540-M723 WeakPolarHBondContact O-CE 3.33Å
541	K	75.9	Confident	65.3	Low	179 Å²	179	91.8 Å²	91.8	78%	0.778	48%	0.482	S	S	*	.			trans	-114.9	134.5	175	-66.5	-175.9	179.5	-179.7	0	108.9
542	I	79.9	Confident	67.7	Low	61 Å²	61	88.4 Å²	88.4	31%	0.313	46%	0.458	S	S	.	.			trans	-62.3	130.2	173.8	-72	166.8	0	0	0	108.9	M719 M723	I542-M719 HydrophobicContact CB-CE 4.04Å; I542-M719 HydrophobicContact CG1-CE 3.75Å; I542-M719 HydrophobicContact CG2-CE 3.56Å; I542-M723 HydrophobicContact CD1-CG 4.24Å; I542-M723 HydrophobicContact CG1-CE 4.33Å; I542-M723 HydrophobicContact CG1-CG 4.04Å; I542-M723 HydrophobicContact CG1-SD 4.17Å
543	P	72.7	Confident	70.1	Confident	16 Å²	16	82.4 Å²	82.4	10%	0.104	43%	0.43	C	S	.	.			trans	-59.1	135.8	173.8	-25.5	35.1	0	0	0	111.4	C231 P234 R545	C231-P543 HydrophobicContact CB-CG 4.39Å; P234-P543 HydrophobicContact CB-CB 4.16Å; P234-P543 HydrophobicContact CB-CG 4.47Å; P543-R545 PolarHBondContact O-N 2.81Å
544	P	60.3	Low	72.3	Confident	127 Å²	127	79.1 Å²	79.1	83%	0.825	42%	0.421	S	S	*	.	S	Bend	trans	-70.3	-17.7	-178.9	27.9	-35	0	0	0	113.5	C546	P544-C546 PolarHBondContact O-N 3.15Å; P544-C546 VanDerWaalsContact O-N 3.09Å
545	R	63.1	Low	74.5	Confident	151 Å²	151	80.8 Å²	80.8	57%	0.57	42%	0.423	S	S	*	.			trans	-83.5	76.3	-178.4	-70.1	-177	176.1	154.4	1.2	112.2	D235 P543	D235-R545 IonicContact OD1-CZ 3.58Å; D235-R545 IonicContact OD1-NH1 3.61Å; D235-R545 PolarHBondContact OD1-NH1 2.97Å; D235-R545 IonicContact OD2-NH1 2.89Å; D235-R545 PolarHBondContact OD2-NH1 2.98Å; D235-R545 VanDerWaalsContact OD2-NH1 3.16Å; P543-R545 PolarHBondContact O-N 2.81Å
546	C	68.8	Low	76.4	Confident	23 Å²	23	79.9 Å²	79.9	16%	0.155	42%	0.415	C	S	.	.	S	Bend	trans	-84.8	-18.3	161	59.1	0	0	0	0	112.6	P544 N577 A579 Y580	P544-C546 PolarHBondContact O-N 3.15Å; P544-C546 VanDerWaalsContact O-N 3.09Å; C546-N577 PolarHBondContact SG-ND2 2.88Å; C546-A579 HydrophobicContact CB-CB 4.29Å; C546-Y580 HydrophobicContact CB-CD1 4.1Å; C546-Y580 HydrophobicContact CB-CE1 3.49Å; C546-Y580 VanDerWaalsContact CB-CE1 3.49Å; C546-Y580 HydrophobicContact CB-CE2 4.43Å
547	M	75.8	Confident	77.7	Confident	43 Å²	43	78.5 Å²	78.5	21%	0.212	41%	0.409	C	S	.	.	S	Bend	trans	-138.1	157	-178.8	-66.2	172.1	69.7	0	0	110.4	A553 L557 A579 I595 T596	M547-A553 HydrophobicContact CE-CB 3.77Å; M547-L557 HydrophobicContact CE-CB 4.39Å; M547-L557 HydrophobicContact CE-CD2 4.08Å; M547-L557 HydrophobicContact SD-CD2 4.12Å; M547-A579 HydrophobicContact CG-CB 3.41Å; M547-A579 VanDerWaalsContact CG-CB 3.41Å; M547-A579 HydrophobicContact SD-CB 3.76Å; M547-I595 CarbonylContact C-O 3.55Å; M547-I595 WeakPolarHBondContact CA-O 3.37Å; M547-I595 WeakPolarHBondContact CB-O 3.37Å; M547-I595 HydrophobicContact CE-CB 4.48Å; M547-I595 HydrophobicContact CE-CD1 4.36Å; M547-T596 HydrophobicContact CG-CG2 4.22Å
548	F	79.4	Confident	78.5	Confident	113 Å²	113	81.4 Å²	81.4	50%	0.496	43%	0.428	S	S	.	.			trans	-87	156.2	172.2	-55.2	-48.3	0	0	0	112	H550 I595 T596 D597	F548-H550 PolarHBondContact O-N 3.38Å; F548-I595 PolarHBondContact N-O 3.48Å; F548-T596 VanDerWaalsContact CE2-O 3.31Å; F548-T596 WeakPolarHBondContact CE2-O 3.19Å; F548-D597 HydrophobicContact CZ-CB 4.08Å
549	D	74.9	Confident	79.5	Confident	171 Å²	171	87.9 Å²	87.9	91%	0.914	46%	0.456	S	S	*	.			trans	-68.1	93.1	176.5	-64.7	-56.1	0	0	0	111
550	H	78.1	Confident	80.5	Confident	61 Å²	61	83.8 Å²	83.8	28%	0.282	43%	0.427	S	S	.	.			trans	-125.7	131.9	-175.5	-176.9	-85.6	0	0	0	111.3	F548 D552 A553 T556 T594 I595	F548-H550 PolarHBondContact O-N 3.38Å; H550-D552 VanDerWaalsContact C-N 3.26Å; H550-D552 PolarHBondContact ND1-N 2.88Å; H550-D552 PolarHBondContact O-N 3.36Å; H550-D552 VanDerWaalsContact O-N 3.15Å; H550-A553 HydrophobicContact CB-CB 4.08Å; H550-A553 PolarHBondContact ND1-N 2.92Å; H550-A553 WeakPolarHBondContact O-CB 3.23Å; H550-A553 PolarHBondContact O-N 2.86Å; H550-A553 VanDerWaalsContact O-N 3.13Å; H550-T556 PolarHBondContact CE1-OG1 2.77Å; H550-T594 PolarHBondContact NE2-OG1 2.67Å; H550-I595 HydrophobicContact CB-CG2 3.92Å
551	P	76.6	Confident	81.2	Confident	124 Å²	124	83 Å²	83	81%	0.805	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.4	-168.4	25.4	-35.5	0	0	0	114.8
552	D	84.5	Confident	82	Confident	73 Å²	73	78.5 Å²	78.5	39%	0.39	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	28.3	177.4	-82.6	-57.4	0	0	0	112.2	H550 D554 K555 T556	H550-D552 VanDerWaalsContact C-N 3.26Å; H550-D552 PolarHBondContact ND1-N 2.88Å; H550-D552 PolarHBondContact O-N 3.36Å; H550-D552 VanDerWaalsContact O-N 3.15Å; D552-D554 PolarHBondContact O-N 3.16Å; D552-K555 HydrophobicContact CB-CB 4.49Å; D552-K555 HydrophobicContact CB-CD 4.34Å; D552-K555 WeakPolarHBondContact O-CB 3.46Å; D552-K555 PolarHBondContact O-N 2.78Å; D552-K555 WeakPolarHBondContact OD1-CD 3.33Å; D552-K555 VanDerWaalsContact OD1-CE 3.26Å; D552-K555 WeakPolarHBondContact OD1-CE 3.48Å; D552-K555 IonicContact OD1-NZ 2.76Å; D552-K555 PolarHBondContact OD1-NZ 3.36Å; D552-T556 PolarHBondContact O-N 2.69Å; D552-T556 VanDerWaalsContact O-N 3.11Å
553	A	84.8	Confident	82.6	Confident	18 Å²	18	76.9 Å²	76.9	15%	0.149	41%	0.412	C	S	.	.	H	α-helix	trans	-44.8	-51.2	-170.5	0	0	0	0	0	114.5	M547 H550 K555 T556 L557	M547-A553 HydrophobicContact CE-CB 3.77Å; H550-A553 HydrophobicContact CB-CB 4.08Å; H550-A553 PolarHBondContact ND1-N 2.92Å; H550-A553 WeakPolarHBondContact O-CB 3.23Å; H550-A553 PolarHBondContact O-N 2.86Å; H550-A553 VanDerWaalsContact O-N 3.13Å; A553-K555 VanDerWaalsContact C-N 3.33Å; A553-K555 PolarHBondContact O-N 3.39Å; A553-T556 PolarHBondContact O-N 3.36Å; A553-L557 WeakPolarHBondContact O-CB 3.44Å; A553-L557 PolarHBondContact O-N 2.97Å
554	D	86.9	Confident	83.6	Confident	113 Å²	113	76.3 Å²	76.3	60%	0.604	41%	0.408	S	S	*	.	H	α-helix	trans	-64	-34.2	-179.6	-62.5	-51.9	0	0	0	113.2	D552 L557 N558	D552-D554 PolarHBondContact O-N 3.16Å; D554-L557 PolarHBondContact O-N 3.44Å; D554-N558 WeakPolarHBondContact O-CB 3.47Å; D554-N558 PolarHBondContact O-N 3.22Å; D554-N558 PolarHBondContact O-ND2 3.25Å
555	K	89.8	Confident	85.2	Confident	147 Å²	147	74.6 Å²	74.6	64%	0.639	39%	0.389	S	S	*	.	H	α-helix	trans	-71.5	-44.1	179.3	-60.2	178	-167.2	156.1	0	110.3	D552 A553 L557 N558 H559	D552-K555 HydrophobicContact CB-CB 4.49Å; D552-K555 HydrophobicContact CB-CD 4.34Å; D552-K555 WeakPolarHBondContact O-CB 3.46Å; D552-K555 PolarHBondContact O-N 2.78Å; D552-K555 WeakPolarHBondContact OD1-CD 3.33Å; D552-K555 VanDerWaalsContact OD1-CE 3.26Å; D552-K555 WeakPolarHBondContact OD1-CE 3.48Å; D552-K555 IonicContact OD1-NZ 2.76Å; D552-K555 PolarHBondContact OD1-NZ 3.36Å; A553-K555 VanDerWaalsContact C-N 3.33Å; A553-K555 PolarHBondContact O-N 3.39Å; K555-L557 VanDerWaalsContact C-N 3.32Å; K555-N558 PolarHBondContact O-N 3.33Å; K555-H559 WeakPolarHBondContact O-CB 3.26Å; K555-H559 PolarHBondContact O-N 3.45Å
556	T	90.8	Very high	86.7	Confident	31 Å²	31	71.8 Å²	71.8	19%	0.19	39%	0.385	C	S	.	.	H	α-helix	trans	-60.6	-43.3	173.3	-55.9	0	0	0	0	110.7	H550 D552 A553 H559 L560 I595	H550-T556 PolarHBondContact CE1-OG1 2.77Å; D552-T556 PolarHBondContact O-N 2.69Å; D552-T556 VanDerWaalsContact O-N 3.11Å; A553-T556 PolarHBondContact O-N 3.36Å; T556-H559 PolarHBondContact O-N 3.27Å; T556-L560 HydrophobicContact CG2-CD1 3.82Å; T556-L560 HydrophobicContact CG2-CG 4.31Å; T556-L560 WeakPolarHBondContact O-CG 3.43Å; T556-L560 PolarHBondContact O-N 3.37Å; T556-I595 HydrophobicContact CG2-CD1 3.97Å; T556-I595 HydrophobicContact CG2-CG1 4.09Å; T556-I595 HydrophobicContact CG2-CG2 3.85Å
557	L	92	Very high	88	Confident	13 Å²	13	70.7 Å²	70.7	7%	0.068	38%	0.378	C	S	.	.	H	α-helix	trans	-59.5	-54.3	178	-177.1	61.6	0	0	0	111	M547 A553 D554 K555 H559 L560 I561 K578 L582 I595	M547-L557 HydrophobicContact CE-CB 4.39Å; M547-L557 HydrophobicContact CE-CD2 4.08Å; M547-L557 HydrophobicContact SD-CD2 4.12Å; A553-L557 WeakPolarHBondContact O-CB 3.44Å; A553-L557 PolarHBondContact O-N 2.97Å; D554-L557 PolarHBondContact O-N 3.44Å; K555-L557 VanDerWaalsContact C-N 3.32Å; L557-H559 PolarHBondContact O-N 3.34Å; L557-L560 PolarHBondContact O-N 3.23Å; L557-I561 HydrophobicContact CD1-CG2 3.84Å; L557-I561 HydrophobicContact CG-CD1 4.36Å; L557-I561 HydrophobicContact CG-CG2 4.47Å; L557-I561 VanDerWaalsContact O-CG1 3.28Å; L557-I561 WeakPolarHBondContact O-CG1 3.36Å; L557-I561 WeakPolarHBondContact O-CG2 3.47Å; L557-I561 PolarHBondContact O-N 3.18Å; L557-K578 HydrophobicContact CD1-CB 4.4Å; L557-K578 HydrophobicContact CD2-CB 4.36Å; L557-L582 HydrophobicContact CD1-CB 4.3Å; L557-L582 HydrophobicContact CD1-CD2 3.81Å; L557-I595 VanDerWaalsContact CA-CD1 3.42Å; L557-I595 HydrophobicContact CB-CD1 3.62Å; L557-I595 HydrophobicContact CD1-CD1 3.95Å; L557-I595 HydrophobicContact CG-CD1 4.39Å
558	N	91.8	Very high	89	Confident	108 Å²	108	69.7 Å²	69.7	58%	0.578	37%	0.372	S	S	*	.	H	α-helix	trans	-59.3	-30.8	178	-77.5	-68.6	0	0	0	113.2	D554 K555	D554-N558 WeakPolarHBondContact O-CB 3.47Å; D554-N558 PolarHBondContact O-N 3.22Å; D554-N558 PolarHBondContact O-ND2 3.25Å; K555-N558 PolarHBondContact O-N 3.33Å
559	H	92.9	Very high	89.8	Confident	146 Å²	146	71.1 Å²	71.1	68%	0.676	38%	0.378	S	S	*	.	H	α-helix	trans	-70.8	-48	174.3	-178.9	55.2	0	0	0	112.3	K555 T556 L557 S562	K555-H559 WeakPolarHBondContact O-CB 3.26Å; K555-H559 PolarHBondContact O-N 3.45Å; T556-H559 PolarHBondContact O-N 3.27Å; L557-H559 PolarHBondContact O-N 3.34Å; H559-S562 WeakPolarHBondContact O-CB 3.29Å; H559-S562 PolarHBondContact O-N 3.37Å
560	L	92.8	Very high	90.7	Very high	10 Å²	10	67.4 Å²	67.4	5%	0.052	35%	0.354	C	S	.	.	H	α-helix	trans	-73.8	-29.5	-174.6	-64.8	177.4	0	0	0	113.5	T556 L557 S562 L582 Y590 N593 I595	T556-L560 HydrophobicContact CG2-CD1 3.82Å; T556-L560 HydrophobicContact CG2-CG 4.31Å; T556-L560 WeakPolarHBondContact O-CG 3.43Å; T556-L560 PolarHBondContact O-N 3.37Å; L557-L560 PolarHBondContact O-N 3.23Å; L560-S562 VanDerWaalsContact C-N 3.33Å; L560-L582 HydrophobicContact CB-CD1 3.82Å; L560-L582 HydrophobicContact CB-CD2 3.94Å; L560-L582 HydrophobicContact CD1-CD2 3.92Å; L560-Y590 HydrophobicContact CD2-CE1 4.14Å; L560-N593 HydrophobicContact CD1-CB 4.14Å; L560-I595 HydrophobicContact CD1-CD1 4.42Å; L560-I595 HydrophobicContact CD1-CG1 4.43Å
561	I	93.8	Very high	91.6	Very high	15 Å²	15	65.1 Å²	65.1	8%	0.077	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.8	176.6	74.1	-174.9	0	0	0	114.2	L557 G563 F564 K578 L582	L557-I561 HydrophobicContact CD1-CG2 3.84Å; L557-I561 HydrophobicContact CG-CD1 4.36Å; L557-I561 HydrophobicContact CG-CG2 4.47Å; L557-I561 VanDerWaalsContact O-CG1 3.28Å; L557-I561 WeakPolarHBondContact O-CG1 3.36Å; L557-I561 WeakPolarHBondContact O-CG2 3.47Å; L557-I561 PolarHBondContact O-N 3.18Å; I561-G563 PolarHBondContact O-N 3.41Å; I561-G563 VanDerWaalsContact O-N 3.15Å; I561-F564 HydrophobicContact CB-CD2 4.21Å; I561-F564 WeakPolarHBondContact O-CB 3.39Å; I561-F564 VanDerWaalsContact O-CD2 3.3Å; I561-F564 WeakPolarHBondContact O-CD2 3.19Å; I561-F564 PolarHBondContact O-N 2.95Å; I561-K578 HydrophobicContact CD1-CB 3.61Å; I561-K578 HydrophobicContact CD1-CG 3.73Å; I561-K578 HydrophobicContact CG2-CB 4.32Å; I561-L582 HydrophobicContact CG2-CB 4.02Å
562	S	93.1	Very high	92.5	Very high	85 Å²	85	66.2 Å²	66.2	59%	0.594	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	120.2	179.2	-176	0	0	0	0	111.1	H559 L560	H559-S562 WeakPolarHBondContact O-CB 3.29Å; H559-S562 PolarHBondContact O-N 3.37Å; L560-S562 VanDerWaalsContact C-N 3.33Å
563	G	91	Very high	93.1	Very high	26 Å²	26	64.1 Å²	64.1	27%	0.268	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	-17.6	-179	0	0	0	0	0	115.2	I561 E565 N566 Y655	I561-G563 PolarHBondContact O-N 3.41Å; I561-G563 VanDerWaalsContact O-N 3.15Å; G563-E565 WeakPolarHBondContact CA-OE2 3.34Å; G563-E565 PolarHBondContact N-OE2 3.3Å; G563-E565 PolarHBondContact O-N 3.47Å; G563-E565 VanDerWaalsContact O-N 3.14Å; G563-N566 PolarHBondContact O-N 3.45Å; G563-Y655 WeakPolarHBondContact O-CE1 3.14Å
564	F	94.9	Very high	93.7	Very high	4 Å²	4	73.1 Å²	73.1	2%	0.018	36%	0.36	C	S	.	.	H	α-helix	trans	-65.7	-13.5	178.3	-80.3	-100.1	0	0	0	113.3	I561 N566 F567 E568 L581 F585 Y655	I561-F564 HydrophobicContact CB-CD2 4.21Å; I561-F564 WeakPolarHBondContact O-CB 3.39Å; I561-F564 VanDerWaalsContact O-CD2 3.3Å; I561-F564 WeakPolarHBondContact O-CD2 3.19Å; I561-F564 PolarHBondContact O-N 2.95Å; F564-N566 PolarHBondContact O-N 3.06Å; F564-N566 VanDerWaalsContact O-N 3.1Å; F564-F567 HydrophobicContact CD1-CB 4.44Å; F564-F567 WeakPolarHBondContact O-CA 3.42Å; F564-F567 WeakPolarHBondContact O-CB 3.29Å; F564-F567 PolarHBondContact O-N 2.89Å; F564-E568 PolarHBondContact O-N 3.48Å; F564-L581 HydrophobicContact CB-CD2 4.01Å; F564-L581 HydrophobicContact CD1-CD1 3.95Å; F564-L581 HydrophobicContact CD1-CD2 3.79Å; F564-L581 HydrophobicContact CD1-CG 3.73Å; F564-L581 HydrophobicContact CE1-CD1 4.13Å; F564-L581 HydrophobicContact CE1-CG 4.06Å; F564-L581 HydrophobicContact CG-CD2 4.21Å; F564-L581 HydrophobicContact CG-CG 4.48Å; F564-F585 HydrophobicContact CE1-CB 3.97Å; F564-F585 HydrophobicContact CE1-CD1 4.35Å; F564-F585 AromaticContact CE1-CD2 3.7Å; F564-F585 HydrophobicContact CE1-CD2 3.7Å; F564-F585 HydrophobicContact CE1-CE2 4.27Å; F564-F585 AromaticContact CE1-CG 3.74Å; F564-F585 HydrophobicContact CE1-CG 3.74Å; F564-F585 HydrophobicContact CZ-CB 3.87Å; F564-F585 HydrophobicContact CZ-CD2 4.46Å; F564-F585 HydrophobicContact CZ-CG 4.13Å; F564-Y655 HydrophobicContact CD1-CD1 4.33Å; F564-Y655 HydrophobicContact CD1-CG 4.48Å; F564-Y655 HydrophobicContact CG-CD1 4.36Å; F564-Y655 WeakPolarHBondContact CZ-O 3.5Å
565	E	94.3	Very high	94.1	Very high	91 Å²	91	68 Å²	68	43%	0.425	33%	0.332	S	S	.	.	H	α-helix	trans	-61.3	-20	174.6	-50.4	82.9	174.5	0	0	112.3	G563 K569	G563-E565 WeakPolarHBondContact CA-OE2 3.34Å; G563-E565 PolarHBondContact N-OE2 3.3Å; G563-E565 PolarHBondContact O-N 3.47Å; G563-E565 VanDerWaalsContact O-N 3.14Å; E565-K569 WeakPolarHBondContact O-CD 3.34Å; E565-K569 WeakPolarHBondContact O-CE 3.41Å; E565-K569 VanDerWaalsContact O-CG 3.24Å; E565-K569 WeakPolarHBondContact O-CG 3.32Å; E565-K569 PolarHBondContact O-NZ 2.92Å
566	N	94.9	Very high	94.2	Very high	93 Å²	93	68.3 Å²	68.3	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-85	-31	172	-64.6	-30.5	0	0	0	112.2	G563 F564 K569 K570	G563-N566 PolarHBondContact O-N 3.45Å; F564-N566 PolarHBondContact O-N 3.06Å; F564-N566 VanDerWaalsContact O-N 3.1Å; N566-K569 PolarHBondContact OD1-NZ 3.4Å; N566-K569 VanDerWaalsContact OD1-NZ 3.14Å; N566-K570 WeakPolarHBondContact O-CB 3.28Å; N566-K570 PolarHBondContact O-N 2.83Å
567	F	96	Very high	94.3	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-67.2	-47	171.7	-173.2	-108.5	0	0	0	111.5	F564 K569 K570 I571 L581 F585 Y652 Y655 L713	F564-F567 HydrophobicContact CD1-CB 4.44Å; F564-F567 WeakPolarHBondContact O-CA 3.42Å; F564-F567 WeakPolarHBondContact O-CB 3.29Å; F564-F567 PolarHBondContact O-N 2.89Å; F567-K569 PolarHBondContact O-N 3.4Å; F567-K570 WeakPolarHBondContact O-CA 3.4Å; F567-K570 WeakPolarHBondContact O-CB 3.36Å; F567-K570 PolarHBondContact O-N 3.45Å; F567-I571 HydrophobicContact CD1-CD1 4.27Å; F567-I571 HydrophobicContact CE1-CD1 3.77Å; F567-I571 HydrophobicContact CE1-CG1 4.33Å; F567-I571 HydrophobicContact CE1-CG2 4.06Å; F567-I571 HydrophobicContact CE2-CG2 3.88Å; F567-I571 HydrophobicContact CZ-CD1 4.36Å; F567-I571 HydrophobicContact CZ-CG2 3.6Å; F567-I571 WeakPolarHBondContact O-CG1 3.41Å; F567-I571 PolarHBondContact O-N 3.07Å; F567-L581 HydrophobicContact CD1-CD1 4.04Å; F567-L581 HydrophobicContact CE1-CD1 4.15Å; F567-F585 HydrophobicContact CD1-CE2 4.23Å; F567-F585 HydrophobicContact CD1-CZ 4.26Å; F567-F585 AromaticContact CE1-CE2 3.66Å; F567-F585 HydrophobicContact CE1-CE2 3.66Å; F567-F585 AromaticContact CE1-CZ 3.63Å; F567-F585 HydrophobicContact CE1-CZ 3.63Å; F567-F585 HydrophobicContact CE2-CZ 4.05Å; F567-F585 HydrophobicContact CZ-CE2 4.03Å; F567-F585 AromaticContact CZ-CZ 3.53Å; F567-F585 HydrophobicContact CZ-CZ 3.53Å; F567-Y652 AromaticContact CE2-CD1 3.67Å; F567-Y652 HydrophobicContact CE2-CD1 3.67Å; F567-Y652 AromaticContact CE2-CE1 3.81Å; F567-Y652 HydrophobicContact CE2-CE1 3.81Å; F567-Y652 HydrophobicContact CE2-CG 4.09Å; F567-Y652 AromaticContact CZ-CD1 3.97Å; F567-Y652 HydrophobicContact CZ-CD1 3.97Å; F567-Y652 HydrophobicContact CZ-CD2 4.24Å; F567-Y652 AromaticContact CZ-CE1 3.79Å; F567-Y652 HydrophobicContact CZ-CE1 3.79Å; F567-Y652 HydrophobicContact CZ-CE2 4.09Å; F567-Y652 HydrophobicContact CZ-CG 4.2Å; F567-Y652 AromaticContact CZ-CZ 3.88Å; F567-Y655 HydrophobicContact CB-CD1 4Å; F567-Y655 HydrophobicContact CB-CD2 3.91Å; F567-Y655 HydrophobicContact CB-CE1 3.86Å; F567-Y655 HydrophobicContact CB-CE2 3.78Å; F567-Y655 HydrophobicContact CB-CG 4.02Å; F567-Y655 AromaticContact CD2-CD2 3.52Å; F567-Y655 HydrophobicContact CD2-CD2 3.52Å; F567-Y655 AromaticContact CD2-CE2 3.62Å; F567-Y655 HydrophobicContact CD2-CE2 3.62Å; F567-Y655 HydrophobicContact CD2-CG 4.28Å; F567-Y655 HydrophobicContact CE2-CD2 4.38Å; F567-Y655 AromaticContact CG-CD2 3.95Å; F567-Y655 HydrophobicContact CG-CD2 3.95Å; F567-Y655 HydrophobicContact CG-CE2 4.11Å; F567-Y655 HydrophobicContact CG-CG 4.28Å; F567-L713 HydrophobicContact CE1-CD1 4.36Å; F567-L713 HydrophobicContact CE1-CD2 3.58Å; F567-L713 HydrophobicContact CZ-CD2 3.54Å
568	E	96.1	Very high	94.4	Very high	21 Å²	21	70.5 Å²	70.5	10%	0.098	34%	0.342	C	S	.	.	H	α-helix	trans	-54.1	-40.8	176.2	-68.1	-154.5	123.8	0	0	112.6	F564 N572 Y573 R574 F575 K578 L581	F564-E568 PolarHBondContact O-N 3.48Å; E568-N572 WeakPolarHBondContact O-CA 3.32Å; E568-N572 PolarHBondContact O-N 3.49Å; E568-Y573 CarbonylContact C-O 3.59Å; E568-Y573 VanDerWaalsContact CA-O 3.3Å; E568-Y573 WeakPolarHBondContact CA-O 3.33Å; E568-Y573 VanDerWaalsContact CB-O 3.23Å; E568-Y573 WeakPolarHBondContact CB-O 3.42Å; E568-Y573 PolarHBondContact O-N 2.95Å; E568-R574 WeakPolarHBondContact OE1-CA 3.43Å; E568-F575 WeakPolarHBondContact OE1-CB 3.41Å; E568-F575 WeakPolarHBondContact OE1-CD2 3.11Å; E568-F575 PolarHBondContact OE1-N 2.61Å; E568-K578 IonicContact OE1-NZ 3.41Å; E568-K578 PolarHBondContact OE1-NZ 3.08Å; E568-K578 IonicContact OE2-NZ 3.65Å; E568-K578 PolarHBondContact OE2-NZ 3.14Å; E568-L581 HydrophobicContact CG-CD2 4.08Å
569	K	95.6	Very high	94.5	Very high	143 Å²	143	65.4 Å²	65.4	62%	0.622	32%	0.315	S	S	*	.	H	α-helix	trans	-68.8	-37.4	174	-64.7	164.4	-159.2	149.3	0	112.4	E565 N566 F567 N572	E565-K569 WeakPolarHBondContact O-CD 3.34Å; E565-K569 WeakPolarHBondContact O-CE 3.41Å; E565-K569 VanDerWaalsContact O-CG 3.24Å; E565-K569 WeakPolarHBondContact O-CG 3.32Å; E565-K569 PolarHBondContact O-NZ 2.92Å; N566-K569 PolarHBondContact OD1-NZ 3.4Å; N566-K569 VanDerWaalsContact OD1-NZ 3.14Å; F567-K569 PolarHBondContact O-N 3.4Å; K569-N572 PolarHBondContact O-N 2.79Å
570	K	95.1	Very high	94.6	Very high	93 Å²	93	59.4 Å²	59.4	40%	0.404	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-40.3	179.4	179.9	77.4	-177.1	-143.9	0	111.9	N566 F567 D651	N566-K570 WeakPolarHBondContact O-CB 3.28Å; N566-K570 PolarHBondContact O-N 2.83Å; F567-K570 WeakPolarHBondContact O-CA 3.4Å; F567-K570 WeakPolarHBondContact O-CB 3.36Å; F567-K570 PolarHBondContact O-N 3.45Å; K570-D651 WeakPolarHBondContact CE-OD2 3.33Å; K570-D651 IonicContact NZ-OD2 3.09Å; K570-D651 PolarHBondContact NZ-OD2 2.99Å
571	I	95.1	Very high	94.8	Very high	13 Å²	13	59 Å²	59	7%	0.067	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1.4	175.4	65.4	166.8	0	0	0	113.8	F567 Y573 F575 L713 I717 V731 M735	F567-I571 HydrophobicContact CD1-CD1 4.27Å; F567-I571 HydrophobicContact CE1-CD1 3.77Å; F567-I571 HydrophobicContact CE1-CG1 4.33Å; F567-I571 HydrophobicContact CE1-CG2 4.06Å; F567-I571 HydrophobicContact CE2-CG2 3.88Å; F567-I571 HydrophobicContact CZ-CD1 4.36Å; F567-I571 HydrophobicContact CZ-CG2 3.6Å; F567-I571 WeakPolarHBondContact O-CG1 3.41Å; F567-I571 PolarHBondContact O-N 3.07Å; I571-Y573 PolarHBondContact O-N 2.89Å; I571-F575 HydrophobicContact CD1-CE2 4.48Å; I571-L713 HydrophobicContact CD1-CD2 4.34Å; I571-I717 HydrophobicContact CD1-CD1 4.31Å; I571-V731 HydrophobicContact CB-CG1 4.11Å; I571-V731 HydrophobicContact CD1-CG1 4.42Å; I571-M735 HydrophobicContact CG2-SD 4.46Å
572	N	96.1	Very high	94.9	Very high	148 Å²	148	58.3 Å²	58.3	79%	0.791	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	38.6	-175.3	-167.4	57	0	0	0	113.9	E568 K569	E568-N572 WeakPolarHBondContact O-CA 3.32Å; E568-N572 PolarHBondContact O-N 3.49Å; K569-N572 PolarHBondContact O-N 2.79Å
573	Y	97.3	Very high	95.1	Very high	28 Å²	28	54.7 Å²	54.7	11%	0.11	25%	0.254	C	S	.	.			trans	-137.2	134.5	179.3	-177.9	-95.5	0	0	0	110.7	E568 I571 F575 I717 D720 T727 V731	E568-Y573 CarbonylContact C-O 3.59Å; E568-Y573 VanDerWaalsContact CA-O 3.3Å; E568-Y573 WeakPolarHBondContact CA-O 3.33Å; E568-Y573 VanDerWaalsContact CB-O 3.23Å; E568-Y573 WeakPolarHBondContact CB-O 3.42Å; E568-Y573 PolarHBondContact O-N 2.95Å; I571-Y573 PolarHBondContact O-N 2.89Å; Y573-F575 AromaticContact CD1-CD2 3.66Å; Y573-F575 HydrophobicContact CD1-CD2 3.66Å; Y573-F575 AromaticContact CD1-CE2 3.58Å; Y573-F575 HydrophobicContact CD1-CE2 3.58Å; Y573-F575 HydrophobicContact CD1-CG 4.24Å; Y573-F575 HydrophobicContact CD1-CZ 4.11Å; Y573-F575 HydrophobicContact CE1-CB 4.48Å; Y573-F575 AromaticContact CE1-CD1 3.95Å; Y573-F575 HydrophobicContact CE1-CD1 3.95Å; Y573-F575 AromaticContact CE1-CD2 3.67Å; Y573-F575 HydrophobicContact CE1-CD2 3.67Å; Y573-F575 AromaticContact CE1-CE1 3.99Å; Y573-F575 HydrophobicContact CE1-CE1 3.99Å; Y573-F575 AromaticContact CE1-CE2 3.72Å; Y573-F575 HydrophobicContact CE1-CE2 3.72Å; Y573-F575 AromaticContact CE1-CG 3.78Å; Y573-F575 HydrophobicContact CE1-CG 3.78Å; Y573-F575 AromaticContact CE1-CZ 3.88Å; Y573-F575 HydrophobicContact CE1-CZ 3.88Å; Y573-I717 HydrophobicContact CD1-CD1 4.2Å; Y573-I717 HydrophobicContact CD1-CG1 3.95Å; Y573-I717 HydrophobicContact CD2-CG2 4.43Å; Y573-I717 HydrophobicContact CE1-CB 4.41Å; Y573-I717 HydrophobicContact CE1-CG1 3.79Å; Y573-I717 HydrophobicContact CE1-CG2 4.26Å; Y573-I717 HydrophobicContact CE2-CG2 3.96Å; Y573-I717 HydrophobicContact CG-CD1 4.43Å; Y573-D720 PolarHBondContact OH-OD2 3.33Å; Y573-T727 HydrophobicContact CD2-CG2 4.36Å; Y573-T727 HydrophobicContact CE2-CG2 3.62Å; Y573-V731 HydrophobicContact CD2-CG2 3.78Å; Y573-V731 HydrophobicContact CG-CG2 4Å
574	R	96.7	Very high	95.4	Very high	208 Å²	208	53.4 Å²	53.4	79%	0.785	24%	0.242	S	C	*	.			trans	-116.8	109.9	179.7	-178.9	-176.1	175.6	-169.3	-1.6	109.6	E568	E568-R574 WeakPolarHBondContact OE1-CA 3.43Å
575	F	95.6	Very high	95.5	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.018	24%	0.241	C	C	.	.			trans	-60.5	135.2	173.5	-75.2	-97.2	0	0	0	111.2	E568 I571 Y573 K578 L581 L713 A716 I717 D720	E568-F575 WeakPolarHBondContact OE1-CB 3.41Å; E568-F575 WeakPolarHBondContact OE1-CD2 3.11Å; E568-F575 PolarHBondContact OE1-N 2.61Å; I571-F575 HydrophobicContact CD1-CE2 4.48Å; Y573-F575 AromaticContact CD1-CD2 3.66Å; Y573-F575 HydrophobicContact CD1-CD2 3.66Å; Y573-F575 AromaticContact CD1-CE2 3.58Å; Y573-F575 HydrophobicContact CD1-CE2 3.58Å; Y573-F575 HydrophobicContact CD1-CG 4.24Å; Y573-F575 HydrophobicContact CD1-CZ 4.11Å; Y573-F575 HydrophobicContact CE1-CB 4.48Å; Y573-F575 AromaticContact CE1-CD1 3.95Å; Y573-F575 HydrophobicContact CE1-CD1 3.95Å; Y573-F575 AromaticContact CE1-CD2 3.67Å; Y573-F575 HydrophobicContact CE1-CD2 3.67Å; Y573-F575 AromaticContact CE1-CE1 3.99Å; Y573-F575 HydrophobicContact CE1-CE1 3.99Å; Y573-F575 AromaticContact CE1-CE2 3.72Å; Y573-F575 HydrophobicContact CE1-CE2 3.72Å; Y573-F575 AromaticContact CE1-CG 3.78Å; Y573-F575 HydrophobicContact CE1-CG 3.78Å; Y573-F575 AromaticContact CE1-CZ 3.88Å; Y573-F575 HydrophobicContact CE1-CZ 3.88Å; F575-K578 HydrophobicContact CB-CD 3.95Å; F575-K578 PolarHBondContact O-NZ 3.12Å; F575-L581 HydrophobicContact CD1-CB 4.16Å; F575-L581 HydrophobicContact CD2-CB 3.92Å; F575-L581 HydrophobicContact CD2-CD1 4.31Å; F575-L581 HydrophobicContact CD2-CD2 3.85Å; F575-L581 HydrophobicContact CD2-CG 4.25Å; F575-L581 HydrophobicContact CE1-CB 4.22Å; F575-L581 HydrophobicContact CE2-CB 3.98Å; F575-L581 HydrophobicContact CE2-CD1 3.76Å; F575-L581 HydrophobicContact CE2-CD2 4.14Å; F575-L581 HydrophobicContact CE2-CG 4.17Å; F575-L581 HydrophobicContact CG-CB 4.02Å; F575-L581 HydrophobicContact CZ-CB 4.13Å; F575-L581 HydrophobicContact CZ-CD1 4.18Å; F575-L713 HydrophobicContact CE2-CD1 4.09Å; F575-L713 HydrophobicContact CZ-CD1 3.63Å; F575-A716 HydrophobicContact CE1-CB 3.86Å; F575-A716 HydrophobicContact CZ-CB 4.14Å; F575-I717 HydrophobicContact CE1-CG1 4.13Å; F575-I717 HydrophobicContact CE2-CG1 4.23Å; F575-I717 HydrophobicContact CZ-CD1 4.41Å; F575-I717 HydrophobicContact CZ-CG1 3.53Å; F575-D720 WeakPolarHBondContact CA-OD2 3.34Å; F575-D720 HydrophobicContact CD1-CB 3.77Å; F575-D720 HydrophobicContact CE1-CB 4.16Å
576	K	93.4	Very high	95.6	Very high	154 Å²	154	49.2 Å²	49.2	67%	0.67	22%	0.222	S	C	*	.	S	Bend	trans	-69.5	-43.9	167.4	-54.7	165.5	-162.3	160.8	0	109.4	D720 S721	K576-D720 WeakPolarHBondContact CB-OD2 3.25Å; K576-D720 WeakPolarHBondContact CD-O 3.19Å; K576-D720 WeakPolarHBondContact CE-O 3.33Å; K576-D720 WeakPolarHBondContact CG-OD2 3.49Å; K576-D720 PolarHBondContact N-OD1 2.95Å; K576-D720 PolarHBondContact N-OD2 3.36Å; K576-D720 PolarHBondContact NZ-O 3.15Å; K576-S721 PolarHBondContact NZ-O 2.99Å
577	N	92.4	Very high	95.7	Very high	43 Å²	43	46.8 Å²	46.8	23%	0.23	21%	0.208	C	C	.	.	S	Bend	trans	-115.9	114.9	178.4	-176.7	-3.6	0	0	0	111	C546 A579 Y580 D720	C546-N577 PolarHBondContact SG-ND2 2.88Å; N577-A579 PolarHBondContact O-N 3.07Å; N577-A579 VanDerWaalsContact OD1-CB 3.25Å; N577-A579 WeakPolarHBondContact OD1-CB 3.46Å; N577-A579 PolarHBondContact OD1-N 3.32Å; N577-Y580 HydrophobicContact CB-CD2 4.14Å; N577-Y580 HydrophobicContact CB-CE2 4.37Å; N577-D720 WeakPolarHBondContact CB-OD1 3.4Å; N577-D720 PolarHBondContact N-OD1 3.29Å
578	K	93.4	Very high	95.7	Very high	48 Å²	48	50 Å²	50	21%	0.209	24%	0.235	C	C	.	.	H	α-helix	trans	-72.8	-14	-177.4	-53.4	-50.7	-164	-163.5	0	113.9	L557 I561 E568 F575 Y580 L581 L582	L557-K578 HydrophobicContact CD1-CB 4.4Å; L557-K578 HydrophobicContact CD2-CB 4.36Å; I561-K578 HydrophobicContact CD1-CB 3.61Å; I561-K578 HydrophobicContact CD1-CG 3.73Å; I561-K578 HydrophobicContact CG2-CB 4.32Å; E568-K578 IonicContact OE1-NZ 3.41Å; E568-K578 PolarHBondContact OE1-NZ 3.08Å; E568-K578 IonicContact OE2-NZ 3.65Å; E568-K578 PolarHBondContact OE2-NZ 3.14Å; F575-K578 HydrophobicContact CB-CD 3.95Å; F575-K578 PolarHBondContact O-NZ 3.12Å; K578-Y580 PolarHBondContact O-N 2.76Å; K578-L581 PolarHBondContact O-N 3.32Å; K578-L582 PolarHBondContact O-N 2.84Å
579	A	94.1	Very high	95.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-41.6	177.1	0	0	0	0	0	112.4	C546 M547 N577 L581 L582 Q583 T596	C546-A579 HydrophobicContact CB-CB 4.29Å; M547-A579 HydrophobicContact CG-CB 3.41Å; M547-A579 VanDerWaalsContact CG-CB 3.41Å; M547-A579 HydrophobicContact SD-CB 3.76Å; N577-A579 PolarHBondContact O-N 3.07Å; N577-A579 VanDerWaalsContact OD1-CB 3.25Å; N577-A579 WeakPolarHBondContact OD1-CB 3.46Å; N577-A579 PolarHBondContact OD1-N 3.32Å; A579-L581 VanDerWaalsContact C-N 3.33Å; A579-L581 PolarHBondContact O-N 3.41Å; A579-L582 PolarHBondContact O-N 3.27Å; A579-Q583 WeakPolarHBondContact O-CB 3.29Å; A579-Q583 PolarHBondContact O-N 3.38Å; A579-T596 HydrophobicContact CB-CG2 3.99Å
580	Y	95.3	Very high	95.6	Very high	20 Å²	20	45.8 Å²	45.8	8%	0.078	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-37.3	177.9	-63.9	-51.9	0	0	0	112.5	C546 N577 K578 Q583 A584 A716 M719 D720	C546-Y580 HydrophobicContact CB-CD1 4.1Å; C546-Y580 HydrophobicContact CB-CE1 3.49Å; C546-Y580 VanDerWaalsContact CB-CE1 3.49Å; C546-Y580 HydrophobicContact CB-CE2 4.43Å; N577-Y580 HydrophobicContact CB-CD2 4.14Å; N577-Y580 HydrophobicContact CB-CE2 4.37Å; K578-Y580 PolarHBondContact O-N 2.76Å; Y580-Q583 PolarHBondContact O-N 2.9Å; Y580-A584 WeakPolarHBondContact O-CB 3.13Å; Y580-A584 PolarHBondContact O-N 3.45Å; Y580-A716 WeakPolarHBondContact O-CB 3.24Å; Y580-M719 HydrophobicContact CD1-CB 4.28Å; Y580-M719 HydrophobicContact CD2-CB 4.38Å; Y580-M719 HydrophobicContact CE1-CB 4.02Å; Y580-M719 HydrophobicContact CE2-CB 4.1Å; Y580-M719 HydrophobicContact CG-CB 4.46Å; Y580-D720 HydrophobicContact CD2-CB 3.97Å
581	L	96.4	Very high	95.4	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-42	174.2	178.9	58.2	0	0	0	111.6	F564 F567 E568 F575 K578 A579 F585 L713	F564-L581 HydrophobicContact CB-CD2 4.01Å; F564-L581 HydrophobicContact CD1-CD1 3.95Å; F564-L581 HydrophobicContact CD1-CD2 3.79Å; F564-L581 HydrophobicContact CD1-CG 3.73Å; F564-L581 HydrophobicContact CE1-CD1 4.13Å; F564-L581 HydrophobicContact CE1-CG 4.06Å; F564-L581 HydrophobicContact CG-CD2 4.21Å; F564-L581 HydrophobicContact CG-CG 4.48Å; F567-L581 HydrophobicContact CD1-CD1 4.04Å; F567-L581 HydrophobicContact CE1-CD1 4.15Å; E568-L581 HydrophobicContact CG-CD2 4.08Å; F575-L581 HydrophobicContact CD1-CB 4.16Å; F575-L581 HydrophobicContact CD2-CB 3.92Å; F575-L581 HydrophobicContact CD2-CD1 4.31Å; F575-L581 HydrophobicContact CD2-CD2 3.85Å; F575-L581 HydrophobicContact CD2-CG 4.25Å; F575-L581 HydrophobicContact CE1-CB 4.22Å; F575-L581 HydrophobicContact CE2-CB 3.98Å; F575-L581 HydrophobicContact CE2-CD1 3.76Å; F575-L581 HydrophobicContact CE2-CD2 4.14Å; F575-L581 HydrophobicContact CE2-CG 4.17Å; F575-L581 HydrophobicContact CG-CB 4.02Å; F575-L581 HydrophobicContact CZ-CB 4.13Å; F575-L581 HydrophobicContact CZ-CD1 4.18Å; K578-L581 PolarHBondContact O-N 3.32Å; A579-L581 VanDerWaalsContact C-N 3.33Å; A579-L581 PolarHBondContact O-N 3.41Å; L581-F585 HydrophobicContact CD1-CD2 3.87Å; L581-F585 HydrophobicContact CD1-CE2 3.76Å; L581-F585 WeakPolarHBondContact O-CD2 3.16Å; L581-F585 PolarHBondContact O-N 2.93Å; L581-L713 HydrophobicContact CD1-CD1 3.92Å
582	L	96.3	Very high	95.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.2	-43.8	174.2	179	60.4	0	0	0	111.6	L557 L560 I561 K578 A579 F585 T586 I595 T596	L557-L582 HydrophobicContact CD1-CB 4.3Å; L557-L582 HydrophobicContact CD1-CD2 3.81Å; L560-L582 HydrophobicContact CB-CD1 3.82Å; L560-L582 HydrophobicContact CB-CD2 3.94Å; L560-L582 HydrophobicContact CD1-CD2 3.92Å; I561-L582 HydrophobicContact CG2-CB 4.02Å; K578-L582 PolarHBondContact O-N 2.84Å; A579-L582 PolarHBondContact O-N 3.27Å; L582-F585 PolarHBondContact O-N 2.77Å; L582-T586 WeakPolarHBondContact O-CB 3.34Å; L582-T586 PolarHBondContact O-N 3.42Å; L582-T586 VanDerWaalsContact O-N 3.1Å; L582-T586 PolarHBondContact O-OG1 3.16Å; L582-I595 HydrophobicContact CD2-CD1 3.77Å; L582-I595 HydrophobicContact CD2-CG1 4.11Å; L582-T596 HydrophobicContact CD2-CG2 4.36Å
583	Q	96.1	Very high	94.9	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-50	178.9	-177.8	177.4	5.4	0	0	111.5	A579 Y580 F585 T586 D597 C598 Y599 L602	A579-Q583 WeakPolarHBondContact O-CB 3.29Å; A579-Q583 PolarHBondContact O-N 3.38Å; Y580-Q583 PolarHBondContact O-N 2.9Å; Q583-F585 PolarHBondContact O-N 3.12Å; Q583-T586 PolarHBondContact O-N 2.7Å; Q583-D597 WeakPolarHBondContact CG-O 3.29Å; Q583-C598 VanDerWaalsContact CG-O 3.27Å; Q583-C598 WeakPolarHBondContact CG-O 3.4Å; Q583-C598 PolarHBondContact NE2-O 2.82Å; Q583-C598 VanDerWaalsContact NE2-O 3.17Å; Q583-Y599 WeakPolarHBondContact O-CA 3.34Å; Q583-Y599 PolarHBondContact O-N 3.32Å; Q583-L602 HydrophobicContact CB-CD1 3.93Å; Q583-L602 HydrophobicContact CG-CD1 3.6Å; Q583-L602 HydrophobicContact CG-CG 4.29Å
584	A	97.4	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-26.5	179.7	0	0	0	0	0	114	Y580 Y599 L602 I709 S712 L713 A716	Y580-A584 WeakPolarHBondContact O-CB 3.13Å; Y580-A584 PolarHBondContact O-N 3.45Å; A584-Y599 WeakPolarHBondContact O-CB 3.47Å; A584-L602 HydrophobicContact CB-CD1 4.33Å; A584-I709 WeakPolarHBondContact O-CG2 3.42Å; A584-S712 PolarHBondContact O-OG 3.22Å; A584-L713 HydrophobicContact CB-CB 4.36Å; A584-L713 HydrophobicContact CB-CD1 4.45Å; A584-A716 HydrophobicContact CB-CB 3.97Å
585	F	97.7	Very high	94.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	0.9	176.8	-77.3	-93.5	0	0	0	114	F564 F567 L581 L582 Q583 Y652 K657 I709 L713	F564-F585 HydrophobicContact CE1-CB 3.97Å; F564-F585 HydrophobicContact CE1-CD1 4.35Å; F564-F585 AromaticContact CE1-CD2 3.7Å; F564-F585 HydrophobicContact CE1-CD2 3.7Å; F564-F585 HydrophobicContact CE1-CE2 4.27Å; F564-F585 AromaticContact CE1-CG 3.74Å; F564-F585 HydrophobicContact CE1-CG 3.74Å; F564-F585 HydrophobicContact CZ-CB 3.87Å; F564-F585 HydrophobicContact CZ-CD2 4.46Å; F564-F585 HydrophobicContact CZ-CG 4.13Å; F567-F585 HydrophobicContact CD1-CE2 4.23Å; F567-F585 HydrophobicContact CD1-CZ 4.26Å; F567-F585 AromaticContact CE1-CE2 3.66Å; F567-F585 HydrophobicContact CE1-CE2 3.66Å; F567-F585 AromaticContact CE1-CZ 3.63Å; F567-F585 HydrophobicContact CE1-CZ 3.63Å; F567-F585 HydrophobicContact CE2-CZ 4.05Å; F567-F585 HydrophobicContact CZ-CE2 4.03Å; F567-F585 AromaticContact CZ-CZ 3.53Å; F567-F585 HydrophobicContact CZ-CZ 3.53Å; L581-F585 HydrophobicContact CD1-CD2 3.87Å; L581-F585 HydrophobicContact CD1-CE2 3.76Å; L581-F585 WeakPolarHBondContact O-CD2 3.16Å; L581-F585 PolarHBondContact O-N 2.93Å; L582-F585 PolarHBondContact O-N 2.77Å; Q583-F585 PolarHBondContact O-N 3.12Å; F585-Y652 AromaticContact CE1-CD2 3.99Å; F585-Y652 HydrophobicContact CE1-CD2 3.99Å; F585-Y652 HydrophobicContact CE1-CG 4.18Å; F585-Y652 WeakPolarHBondContact CE1-O 3.31Å; F585-Y652 AromaticContact CZ-CD2 3.65Å; F585-Y652 HydrophobicContact CZ-CD2 3.65Å; F585-Y652 HydrophobicContact CZ-CE2 4.27Å; F585-Y652 HydrophobicContact CZ-CG 4.06Å; F585-K657 WeakPolarHBondContact O-CA 3.48Å; F585-K657 VanDerWaalsContact O-CB 3.3Å; F585-K657 WeakPolarHBondContact O-CB 3.43Å; F585-K657 PolarHBondContact O-N 3.16Å; F585-I709 HydrophobicContact CD1-CD1 4.18Å; F585-I709 HydrophobicContact CE1-CD1 4.03Å; F585-L713 HydrophobicContact CE2-CD1 4.1Å; F585-L713 HydrophobicContact CE2-CD2 4.27Å; F585-L713 HydrophobicContact CZ-CD2 4.46Å
586	T	97.1	Very high	94	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.037	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-91.3	104.9	-179.5	-65.4	0	0	0	0	111.4	L582 Q583 Y590 N593 C598 Y599	L582-T586 WeakPolarHBondContact O-CB 3.34Å; L582-T586 PolarHBondContact O-N 3.42Å; L582-T586 VanDerWaalsContact O-N 3.1Å; L582-T586 PolarHBondContact O-OG1 3.16Å; Q583-T586 PolarHBondContact O-N 2.7Å; T586-Y590 HydrophobicContact CG2-CD1 4.39Å; T586-N593 HydrophobicContact CG2-CB 3.98Å; T586-N593 PolarHBondContact OG1-ND2 2.71Å; T586-C598 HydrophobicContact CG2-CB 4.49Å; T586-C598 CarbonylContact O-C 3.56Å; T586-C598 VanDerWaalsContact O-CA 3.32Å; T586-C598 WeakPolarHBondContact O-CA 3.5Å; T586-C598 WeakPolarHBondContact O-CB 3.44Å; T586-Y599 VanDerWaalsContact O-CD1 3.28Å; T586-Y599 WeakPolarHBondContact O-CD1 3.35Å; T586-Y599 PolarHBondContact O-N 2.87Å
587	H	97.1	Very high	93.9	Very high	43 Å²	43	34.7 Å²	34.7	20%	0.199	18%	0.179	C	C	.	.			trans	-72.7	151.5	168.9	178.9	-110.6	0	0	0	111.5	S589 Y590 Y599 F656 K657 A658	H587-S589 PolarHBondContact ND1-N 3.46Å; H587-S589 PolarHBondContact ND1-OG 2.81Å; H587-S589 PolarHBondContact O-N 3.46Å; H587-Y590 WeakPolarHBondContact O-CB 3.16Å; H587-Y590 PolarHBondContact O-N 2.66Å; H587-Y599 HydrophobicContact CB-CD1 4.47Å; H587-Y599 HydrophobicContact CB-CE1 3.97Å; H587-Y599 AromaticContact CD2-CE1 3.8Å; H587-F656 HydrophobicContact CB-CE2 3.91Å; H587-F656 HydrophobicContact CB-CZ 3.77Å; H587-K657 WeakPolarHBondContact CB-O 3.33Å; H587-K657 PolarHBondContact N-O 3.15Å; H587-A658 HydrophobicContact CB-CB 3.83Å
588	A	94.8	Very high	94	Very high	68 Å²	68	33.4 Å²	33.4	56%	0.562	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-22.6	-177.3	0	0	0	0	0	115.1
589	S	95.1	Very high	94.2	Very high	36 Å²	36	31.6 Å²	31.6	25%	0.252	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.3	175	73.2	0	0	0	0	115	H587 H591 V659	H587-S589 PolarHBondContact ND1-N 3.46Å; H587-S589 PolarHBondContact ND1-OG 2.81Å; H587-S589 PolarHBondContact O-N 3.46Å; S589-H591 VanDerWaalsContact C-N 3.29Å; S589-H591 PolarHBondContact O-N 3Å; S589-H591 PolarHBondContact O-ND1 2.85Å; S589-V659 WeakPolarHBondContact CB-O 3.45Å; S589-V659 VanDerWaalsContact OG-C 3.31Å; S589-V659 PolarHBondContact OG-N 3.46Å; S589-V659 PolarHBondContact OG-O 3.25Å
590	Y	95.7	Very high	94.3	Very high	38 Å²	38	35.6 Å²	35.6	15%	0.149	18%	0.184	C	C	.	.			trans	-84.1	66.4	-175	-166.1	-104.3	0	0	0	113.2	L560 T586 H587 Y592 N593 K657 V659	L560-Y590 HydrophobicContact CD2-CE1 4.14Å; T586-Y590 HydrophobicContact CG2-CD1 4.39Å; H587-Y590 WeakPolarHBondContact O-CB 3.16Å; H587-Y590 PolarHBondContact O-N 2.66Å; Y590-Y592 HydrophobicContact CD2-CD2 4.04Å; Y590-Y592 AromaticContact CE2-CD2 3.68Å; Y590-Y592 HydrophobicContact CE2-CD2 3.68Å; Y590-Y592 HydrophobicContact CE2-CG 4.39Å; Y590-Y592 PolarHBondContact O-N 3.26Å; Y590-N593 HydrophobicContact CD1-CB 3.89Å; Y590-N593 HydrophobicContact CE1-CB 4.25Å; Y590-N593 PolarHBondContact O-N 3.17Å; Y590-K657 VanDerWaalsContact CB-O 3.31Å; Y590-K657 WeakPolarHBondContact CB-O 3.49Å; Y590-K657 HydrophobicContact CD1-CB 3.63Å; Y590-K657 HydrophobicContact CD2-CB 3.82Å; Y590-K657 HydrophobicContact CE1-CB 3.73Å; Y590-K657 HydrophobicContact CE1-CG 4.2Å; Y590-K657 HydrophobicContact CE2-CB 3.92Å; Y590-K657 HydrophobicContact CG-CB 3.67Å; Y590-V659 HydrophobicContact CD2-CG2 4.01Å
591	H	91.2	Very high	94.3	Very high	125 Å²	125	35.8 Å²	35.8	58%	0.579	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-5.1	179.4	62	-91.5	0	0	0	115.9	S589 N593	S589-H591 VanDerWaalsContact C-N 3.29Å; S589-H591 PolarHBondContact O-N 3Å; S589-H591 PolarHBondContact O-ND1 2.85Å; H591-N593 VanDerWaalsContact C-N 3.29Å
592	Y	89.2	Confident	94.3	Very high	138 Å²	138	35.7 Å²	35.7	54%	0.541	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.6	170.4	-63.2	-73.9	0	0	0	112.9	Y590 V659	Y590-Y592 HydrophobicContact CD2-CD2 4.04Å; Y590-Y592 AromaticContact CE2-CD2 3.68Å; Y590-Y592 HydrophobicContact CE2-CD2 3.68Å; Y590-Y592 HydrophobicContact CE2-CG 4.39Å; Y590-Y592 PolarHBondContact O-N 3.26Å; Y592-V659 HydrophobicContact CD2-CG2 3.97Å; Y592-V659 HydrophobicContact CE2-CG2 3.71Å
593	N	91	Very high	94.4	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.102	19%	0.194	C	C	.	.			trans	-85	112.9	172.2	-172.8	-8.8	0	0	0	110	L560 T586 Y590 H591 I595 T596	L560-N593 HydrophobicContact CD1-CB 4.14Å; T586-N593 HydrophobicContact CG2-CB 3.98Å; T586-N593 PolarHBondContact OG1-ND2 2.71Å; Y590-N593 HydrophobicContact CD1-CB 3.89Å; Y590-N593 HydrophobicContact CE1-CB 4.25Å; Y590-N593 PolarHBondContact O-N 3.17Å; H591-N593 VanDerWaalsContact C-N 3.29Å; N593-I595 WeakPolarHBondContact OD1-CG1 3.43Å; N593-I595 PolarHBondContact OD1-N 3.03Å; N593-T596 PolarHBondContact ND2-OG1 2.83Å; N593-T596 PolarHBondContact OD1-N 3.4Å
594	T	88.4	Confident	94.5	Very high	72 Å²	72	37.8 Å²	37.8	44%	0.442	19%	0.194	S	C	.	.			trans	-111.6	8.2	177.3	60	0	0	0	0	113	H550	H550-T594 PolarHBondContact NE2-OG1 2.67Å
595	I	90.8	Very high	94.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-126	-19.8	-165.9	55.7	163.5	0	0	0	114.6	M547 F548 H550 T556 L557 L560 L582 N593	M547-I595 CarbonylContact C-O 3.55Å; M547-I595 WeakPolarHBondContact CA-O 3.37Å; M547-I595 WeakPolarHBondContact CB-O 3.37Å; M547-I595 HydrophobicContact CE-CB 4.48Å; M547-I595 HydrophobicContact CE-CD1 4.36Å; F548-I595 PolarHBondContact N-O 3.48Å; H550-I595 HydrophobicContact CB-CG2 3.92Å; T556-I595 HydrophobicContact CG2-CD1 3.97Å; T556-I595 HydrophobicContact CG2-CG1 4.09Å; T556-I595 HydrophobicContact CG2-CG2 3.85Å; L557-I595 VanDerWaalsContact CA-CD1 3.42Å; L557-I595 HydrophobicContact CB-CD1 3.62Å; L557-I595 HydrophobicContact CD1-CD1 3.95Å; L557-I595 HydrophobicContact CG-CD1 4.39Å; L560-I595 HydrophobicContact CD1-CD1 4.42Å; L560-I595 HydrophobicContact CD1-CG1 4.43Å; L582-I595 HydrophobicContact CD2-CD1 3.77Å; L582-I595 HydrophobicContact CD2-CG1 4.11Å; N593-I595 WeakPolarHBondContact OD1-CG1 3.43Å; N593-I595 PolarHBondContact OD1-N 3.03Å
596	T	91.3	Very high	94.5	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.043	19%	0.194	C	C	.	.	S	Bend	trans	-130.5	163.8	169.8	75.4	0	0	0	0	110.3	M547 F548 A579 L582 N593	M547-T596 HydrophobicContact CG-CG2 4.22Å; F548-T596 VanDerWaalsContact CE2-O 3.31Å; F548-T596 WeakPolarHBondContact CE2-O 3.19Å; A579-T596 HydrophobicContact CB-CG2 3.99Å; L582-T596 HydrophobicContact CD2-CG2 4.36Å; N593-T596 PolarHBondContact ND2-OG1 2.83Å; N593-T596 PolarHBondContact OD1-N 3.4Å
597	D	91	Very high	94.5	Very high	54 Å²	54	39.7 Å²	39.7	29%	0.289	20%	0.204	S	C	.	.			trans	-64.7	176.4	163.5	-172.3	16.8	0	0	0	110.9	F548 Q583 R601	F548-D597 HydrophobicContact CZ-CB 4.08Å; Q583-D597 WeakPolarHBondContact CG-O 3.29Å; D597-R601 WeakPolarHBondContact OD2-CD 3.46Å
598	C	94.5	Very high	94.5	Very high	17 Å²	17	37.7 Å²	37.7	12%	0.115	20%	0.195	C	C	.	.			trans	-81.2	177.9	169.7	68.4	0	0	0	0	112.7	Q583 T586 Q600	Q583-C598 VanDerWaalsContact CG-O 3.27Å; Q583-C598 WeakPolarHBondContact CG-O 3.4Å; Q583-C598 PolarHBondContact NE2-O 2.82Å; Q583-C598 VanDerWaalsContact NE2-O 3.17Å; T586-C598 HydrophobicContact CG2-CB 4.49Å; T586-C598 CarbonylContact O-C 3.56Å; T586-C598 VanDerWaalsContact O-CA 3.32Å; T586-C598 WeakPolarHBondContact O-CA 3.5Å; T586-C598 WeakPolarHBondContact O-CB 3.44Å; C598-Q600 VanDerWaalsContact C-N 3.33Å; C598-Q600 PolarHBondContact O-N 3.39Å
599	Y	96.8	Very high	94.7	Very high	10 Å²	10	34.4 Å²	34.4	4%	0.039	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.2	-176	66.8	-118.8	0	0	0	115.2	Q583 A584 T586 H587 R601 L602 E603 F656 D708 I709	Q583-Y599 WeakPolarHBondContact O-CA 3.34Å; Q583-Y599 PolarHBondContact O-N 3.32Å; A584-Y599 WeakPolarHBondContact O-CB 3.47Å; T586-Y599 VanDerWaalsContact O-CD1 3.28Å; T586-Y599 WeakPolarHBondContact O-CD1 3.35Å; T586-Y599 PolarHBondContact O-N 2.87Å; H587-Y599 HydrophobicContact CB-CD1 4.47Å; H587-Y599 HydrophobicContact CB-CE1 3.97Å; H587-Y599 AromaticContact CD2-CE1 3.8Å; Y599-R601 VanDerWaalsContact C-N 3.33Å; Y599-R601 PolarHBondContact O-N 3.23Å; Y599-R601 VanDerWaalsContact O-N 3.15Å; Y599-L602 CarbonylContact O-C 3.58Å; Y599-L602 WeakPolarHBondContact O-CA 3.46Å; Y599-L602 WeakPolarHBondContact O-CB 3.37Å; Y599-L602 PolarHBondContact O-N 2.64Å; Y599-E603 HydrophobicContact CD2-CB 4.21Å; Y599-E603 WeakPolarHBondContact CD2-OE2 3.5Å; Y599-E603 WeakPolarHBondContact CE2-OE2 3.5Å; Y599-E603 PolarHBondContact O-N 2.91Å; Y599-F656 HydrophobicContact CE1-CE2 4.1Å; Y599-D708 HydrophobicContact CD2-CB 4.13Å; Y599-D708 HydrophobicContact CE2-CB 3.36Å; Y599-D708 PolarHBondContact OH-OD2 3.09Å; Y599-I709 HydrophobicContact CD1-CG2 3.77Å; Y599-I709 HydrophobicContact CE1-CG2 3.9Å; Y599-I709 HydrophobicContact CG-CG2 4.32Å
600	Q	96.9	Very high	94.8	Very high	83 Å²	83	32.7 Å²	32.7	39%	0.388	16%	0.156	S	C	.	.	H	α-helix	trans	-56.9	-37.4	-165	-65.5	-177.4	-39.1	0	0	114.8	E238 C598 L602 F604	E238-Q600 HydrophobicContact CB-CB 4.12Å; C598-Q600 VanDerWaalsContact C-N 3.33Å; C598-Q600 PolarHBondContact O-N 3.39Å; Q600-L602 VanDerWaalsContact C-N 3.34Å; Q600-F604 PolarHBondContact O-N 2.88Å; Q600-F604 VanDerWaalsContact O-N 3.16Å
601	R	95.6	Very high	94.9	Very high	25 Å²	25	31.4 Å²	31.4	9%	0.094	15%	0.152	C	C	.	.	H	α-helix	trans	-71	-31.4	177.1	-63.9	-174.7	69.1	-101.6	-5.9	112.3	F230 Y233 P234 A236 D597 Y599	F230-R601 HydrophobicContact CD2-CB 4.47Å; F230-R601 WeakPolarHBondContact CD2-O 3.25Å; F230-R601 HydrophobicContact CE2-CB 3.92Å; F230-R601 WeakPolarHBondContact CE2-O 3.45Å; F230-R601 PolarHBondContact O-NH2 3.38Å; Y233-R601 PolarHBondContact O-NH2 2.84Å; P234-R601 PolarHBondContact O-NE 3.23Å; P234-R601 PolarHBondContact O-NH2 2.75Å; A236-R601 WeakPolarHBondContact O-CD 3.1Å; A236-R601 PolarHBondContact O-NE 2.84Å; D597-R601 WeakPolarHBondContact OD2-CD 3.46Å; Y599-R601 VanDerWaalsContact C-N 3.33Å; Y599-R601 PolarHBondContact O-N 3.23Å; Y599-R601 VanDerWaalsContact O-N 3.15Å
602	L	97	Very high	95.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-80.6	-33.6	176.5	-69	178.2	0	0	0	111.8	F230 Q583 A584 Y599 Q600 L605 G606 A716 M719	F230-L602 HydrophobicContact CE2-CD2 4.12Å; F230-L602 HydrophobicContact CZ-CD2 3.8Å; Q583-L602 HydrophobicContact CB-CD1 3.93Å; Q583-L602 HydrophobicContact CG-CD1 3.6Å; Q583-L602 HydrophobicContact CG-CG 4.29Å; A584-L602 HydrophobicContact CB-CD1 4.33Å; Y599-L602 CarbonylContact O-C 3.58Å; Y599-L602 WeakPolarHBondContact O-CA 3.46Å; Y599-L602 WeakPolarHBondContact O-CB 3.37Å; Y599-L602 PolarHBondContact O-N 2.64Å; Q600-L602 VanDerWaalsContact C-N 3.34Å; L602-L605 PolarHBondContact O-N 2.89Å; L602-G606 PolarHBondContact O-N 2.7Å; L602-A716 HydrophobicContact CD1-CB 4.11Å; L602-M719 HydrophobicContact CD2-CG 4.18Å
603	E	97.9	Very high	95.6	Very high	45 Å²	45	19.4 Å²	19.4	21%	0.21	10%	0.101	C	C	.	.	H	α-helix	trans	-55.1	-54.4	170	174	-161.3	157	0	0	110.3	Y599 L605 G606 D607 D708 S712	Y599-E603 HydrophobicContact CD2-CB 4.21Å; Y599-E603 WeakPolarHBondContact CD2-OE2 3.5Å; Y599-E603 WeakPolarHBondContact CE2-OE2 3.5Å; Y599-E603 PolarHBondContact O-N 2.91Å; E603-L605 PolarHBondContact O-N 2.69Å; E603-L605 VanDerWaalsContact O-N 3.17Å; E603-G606 WeakPolarHBondContact O-CA 3.42Å; E603-G606 PolarHBondContact O-N 2.93Å; E603-D607 WeakPolarHBondContact O-CB 3.24Å; E603-D607 PolarHBondContact O-N 3.48Å; E603-D708 HydrophobicContact CG-CB 4.16Å; E603-S712 VanDerWaalsContact N-CB 3.32Å
604	F	97.4	Very high	95.8	Very high	7 Å²	7	18.6 Å²	18.6	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-51.8	-37.5	174.5	168.8	-100.6	0	0	0	114	T226 E238 L241 S242 R245 Q600	T226-F604 HydrophobicContact CG2-CD1 3.8Å; T226-F604 HydrophobicContact CG2-CE1 3.44Å; T226-F604 VanDerWaalsContact CG2-CE1 3.44Å; T226-F604 HydrophobicContact CG2-CE2 4.39Å; T226-F604 HydrophobicContact CG2-CG 4.41Å; T226-F604 HydrophobicContact CG2-CZ 3.77Å; T226-F604 VanDerWaalsContact CG2-O 3.24Å; T226-F604 WeakPolarHBondContact CG2-O 3.48Å; E238-F604 HydrophobicContact CG-CB 4.15Å; L241-F604 HydrophobicContact CB-CD1 4.06Å; L241-F604 HydrophobicContact CB-CD2 4.47Å; L241-F604 HydrophobicContact CB-CE1 3.56Å; L241-F604 HydrophobicContact CB-CE2 4.02Å; L241-F604 HydrophobicContact CB-CG 4.49Å; L241-F604 HydrophobicContact CB-CZ 3.54Å; L241-F604 HydrophobicContact CD1-CD1 4.02Å; L241-F604 HydrophobicContact CD1-CE1 4.04Å; L241-F604 HydrophobicContact CG-CE1 4.31Å; S242-F604 WeakPolarHBondContact OG-CD2 3.22Å; R245-F604 HydrophobicContact CB-CE2 4.19Å; R245-F604 HydrophobicContact CB-CZ 4.15Å; Q600-F604 PolarHBondContact O-N 2.88Å; Q600-F604 VanDerWaalsContact O-N 3.16Å
605	L	97.4	Very high	96.2	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-76.4	-40	176.4	-177.5	60.9	0	0	0	111.9	T226 F230 L602 E603 I609 Y718 M719	T226-L605 HydrophobicContact CG2-CD1 4.09Å; F230-L605 HydrophobicContact CB-CD1 4.41Å; F230-L605 HydrophobicContact CD1-CD2 3.93Å; F230-L605 HydrophobicContact CD2-CB 4.17Å; F230-L605 HydrophobicContact CD2-CD2 4.16Å; F230-L605 HydrophobicContact CE1-CD2 4.03Å; F230-L605 HydrophobicContact CE2-CD2 4.24Å; F230-L605 HydrophobicContact CG-CD2 4.01Å; F230-L605 HydrophobicContact CZ-CD2 4.18Å; L602-L605 PolarHBondContact O-N 2.89Å; E603-L605 PolarHBondContact O-N 2.69Å; E603-L605 VanDerWaalsContact O-N 3.17Å; L605-I609 HydrophobicContact CD1-CD1 4.16Å; L605-I609 HydrophobicContact CG-CD1 3.84Å; L605-I609 WeakPolarHBondContact O-CD1 3.31Å; L605-I609 VanDerWaalsContact O-CG1 3.27Å; L605-I609 WeakPolarHBondContact O-CG1 3.36Å; L605-I609 PolarHBondContact O-N 3Å; L605-Y718 HydrophobicContact CD2-CD1 4.14Å; L605-M719 HydrophobicContact CD2-CG 3.98Å; L605-M719 HydrophobicContact CD2-SD 3.76Å
606	G	97.8	Very high	96.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.6	-43.3	-180	0	0	0	0	0	114.2	L602 E603 A608 I609 L610 E711	L602-G606 PolarHBondContact O-N 2.7Å; E603-G606 WeakPolarHBondContact O-CA 3.42Å; E603-G606 PolarHBondContact O-N 2.93Å; G606-A608 PolarHBondContact O-N 3.37Å; G606-I609 PolarHBondContact O-N 3.15Å; G606-I609 VanDerWaalsContact O-N 3.11Å; G606-L610 WeakPolarHBondContact O-CG 3.23Å; G606-L610 PolarHBondContact O-N 3.21Å; G606-E711 VanDerWaalsContact CA-O 3.3Å; G606-E711 WeakPolarHBondContact CA-O 3.4Å
607	D	97.6	Very high	96.6	Very high	45 Å²	45	19.1 Å²	19.1	24%	0.241	9%	0.093	C	C	.	.	H	α-helix	trans	-45.2	-58.1	170.5	157.5	50.6	0	0	0	110.8	R245 E603 I609 L610 D611	R245-D607 IonicContact CZ-OD2 3.89Å; R245-D607 VanDerWaalsContact CZ-OD2 3.22Å; R245-D607 IonicContact NH1-OD2 2.69Å; R245-D607 PolarHBondContact NH1-OD2 3.15Å; R245-D607 IonicContact NH2-OD2 2.61Å; R245-D607 PolarHBondContact NH2-OD2 3.26Å; E603-D607 WeakPolarHBondContact O-CB 3.24Å; E603-D607 PolarHBondContact O-N 3.48Å; D607-I609 VanDerWaalsContact C-N 3.33Å; D607-I609 PolarHBondContact O-N 3.36Å; D607-L610 PolarHBondContact O-N 3.36Å; D607-D611 WeakPolarHBondContact O-CB 3.42Å; D607-D611 PolarHBondContact O-N 2.95Å
608	A	97.6	Very high	96.7	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-70	-26.5	-178.7	0	0	0	0	0	114	T226 G606 Y612	T226-A608 HydrophobicContact CG2-CB 3.82Å; T226-A608 WeakPolarHBondContact OG1-CB 3.42Å; G606-A608 PolarHBondContact O-N 3.37Å; A608-Y612 WeakPolarHBondContact O-CB 3.4Å; A608-Y612 PolarHBondContact O-N 3.49Å
609	I	98	Very high	96.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-72.9	-44.3	174.3	-73.6	165.6	0	0	0	110.9	H223 L605 G606 D607 Y612 L613 Y718 L725 V728	H223-I609 WeakPolarHBondContact ND1-CG1 3.47Å; L605-I609 HydrophobicContact CD1-CD1 4.16Å; L605-I609 HydrophobicContact CG-CD1 3.84Å; L605-I609 WeakPolarHBondContact O-CD1 3.31Å; L605-I609 VanDerWaalsContact O-CG1 3.27Å; L605-I609 WeakPolarHBondContact O-CG1 3.36Å; L605-I609 PolarHBondContact O-N 3Å; G606-I609 PolarHBondContact O-N 3.15Å; G606-I609 VanDerWaalsContact O-N 3.11Å; D607-I609 VanDerWaalsContact C-N 3.33Å; D607-I609 PolarHBondContact O-N 3.36Å; I609-Y612 PolarHBondContact O-N 3.13Å; I609-L613 HydrophobicContact CG2-CD1 3.75Å; I609-L613 HydrophobicContact CG2-CG 4.45Å; I609-L613 WeakPolarHBondContact O-CB 3.35Å; I609-L613 WeakPolarHBondContact O-CG 3.43Å; I609-L613 PolarHBondContact O-N 3.23Å; I609-Y718 HydrophobicContact CD1-CD1 3.67Å; I609-Y718 HydrophobicContact CD1-CD2 3.9Å; I609-Y718 HydrophobicContact CD1-CE1 4.19Å; I609-Y718 HydrophobicContact CD1-CE2 4.4Å; I609-Y718 HydrophobicContact CD1-CG 3.47Å; I609-Y718 VanDerWaalsContact CD1-CG 3.47Å; I609-L725 HydrophobicContact CG1-CD2 4.17Å; I609-L725 HydrophobicContact CG2-CD2 3.93Å; I609-V728 HydrophobicContact CG2-CB 4.5Å; I609-V728 HydrophobicContact CG2-CG1 3.96Å; I609-V728 HydrophobicContact CG2-CG2 4.5Å
610	L	97.8	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-73.3	-40.4	-179.8	-65.3	-177.5	0	0	0	111.3	G606 D607 Y612 L613 I614 F643 F710 E711 A714 Y732	G606-L610 WeakPolarHBondContact O-CG 3.23Å; G606-L610 PolarHBondContact O-N 3.21Å; D607-L610 PolarHBondContact O-N 3.36Å; L610-Y612 VanDerWaalsContact C-N 3.31Å; L610-Y612 PolarHBondContact O-N 2.89Å; L610-L613 PolarHBondContact O-N 3.31Å; L610-I614 HydrophobicContact CB-CD1 4.18Å; L610-I614 VanDerWaalsContact O-CB 3.24Å; L610-I614 WeakPolarHBondContact O-CB 3.21Å; L610-I614 VanDerWaalsContact O-CD1 3.32Å; L610-I614 WeakPolarHBondContact O-CD1 3.43Å; L610-I614 WeakPolarHBondContact O-CG1 3.33Å; L610-I614 PolarHBondContact O-N 3.1Å; L610-F643 HydrophobicContact CB-CZ 4.31Å; L610-F643 HydrophobicContact CD1-CE1 4.4Å; L610-F643 HydrophobicContact CD1-CZ 4.2Å; L610-F710 HydrophobicContact CD1-CD1 4.04Å; L610-F710 HydrophobicContact CD1-CE1 4.12Å; L610-E711 HydrophobicContact CD1-CG 4.07Å; L610-A714 HydrophobicContact CD1-CB 4.19Å; L610-A714 HydrophobicContact CD2-CB 3.93Å; L610-A714 HydrophobicContact CG-CB 3.98Å; L610-Y732 HydrophobicContact CD1-CD1 4.31Å; L610-Y732 HydrophobicContact CD1-CE1 4.05Å; L610-Y732 HydrophobicContact CD2-CD1 3.66Å; L610-Y732 HydrophobicContact CD2-CE1 4.07Å; L610-Y732 HydrophobicContact CD2-CG 4.19Å
611	D	97.2	Very high	96.2	Very high	11 Å²	11	19.5 Å²	19.5	6%	0.059	9%	0.09	C	C	.	.	H	α-helix	trans	-54.4	-48	170.8	-175.3	36.4	0	0	0	110.5	K222 D607 T615 R634 V638	K222-D611 WeakPolarHBondContact CD-OD2 3.45Å; K222-D611 IonicContact NZ-OD2 2.66Å; K222-D611 PolarHBondContact NZ-OD2 3.27Å; D607-D611 WeakPolarHBondContact O-CB 3.42Å; D607-D611 PolarHBondContact O-N 2.95Å; D611-T615 WeakPolarHBondContact O-CB 3.4Å; D611-T615 PolarHBondContact O-N 3.17Å; D611-T615 PolarHBondContact O-OG1 3.13Å; D611-R634 WeakPolarHBondContact OD1-CD 3.27Å; D611-R634 IonicContact OD1-NH1 3.54Å; D611-R634 PolarHBondContact OD1-NH1 3.35Å; D611-R634 IonicContact OD2-NH1 3.73Å; D611-V638 HydrophobicContact CB-CG1 4.37Å
612	Y	97.6	Very high	95.8	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-52.2	177.3	177.6	-121.5	0	0	0	113.1	L216 F220 H223 L469 E474 A608 I609 L610 I614 T615 K616 L725	L216-Y612 HydrophobicContact CD1-CE2 4.09Å; F220-Y612 HydrophobicContact CB-CD2 3.89Å; F220-Y612 HydrophobicContact CB-CE2 3.86Å; F220-Y612 HydrophobicContact CD2-CD1 4.36Å; F220-Y612 HydrophobicContact CD2-CD2 4.15Å; F220-Y612 HydrophobicContact CD2-CE1 4Å; F220-Y612 AromaticContact CD2-CE2 3.81Å; F220-Y612 HydrophobicContact CD2-CE2 3.81Å; F220-Y612 HydrophobicContact CD2-CG 4.44Å; F220-Y612 AromaticContact CD2-CZ 3.73Å; F220-Y612 HydrophobicContact CG-CE2 4.28Å; H223-Y612 HydrophobicContact CB-CG 4.5Å; L469-Y612 HydrophobicContact CD2-CE2 3.75Å; E474-Y612 PolarHBondContact OE1-OH 3.11Å; A608-Y612 WeakPolarHBondContact O-CB 3.4Å; A608-Y612 PolarHBondContact O-N 3.49Å; I609-Y612 PolarHBondContact O-N 3.13Å; L610-Y612 VanDerWaalsContact C-N 3.31Å; L610-Y612 PolarHBondContact O-N 2.89Å; Y612-I614 PolarHBondContact O-N 3.15Å; Y612-T615 PolarHBondContact O-N 3.14Å; Y612-K616 HydrophobicContact CE1-CD 4.07Å; Y612-K616 HydrophobicContact CE2-CB 4.21Å; Y612-K616 HydrophobicContact CE2-CD 4.39Å; Y612-K616 VanDerWaalsContact O-CB 3.23Å; Y612-K616 WeakPolarHBondContact O-CB 3.46Å; Y612-K616 PolarHBondContact O-N 3.08Å; Y612-K616 WeakPolarHBondContact OH-CD 3.31Å; Y612-K616 VanDerWaalsContact OH-CE 3.31Å; Y612-K616 WeakPolarHBondContact OH-CE 3.38Å; Y612-K616 PolarHBondContact OH-NZ 3.33Å; Y612-L725 HydrophobicContact CD1-CD1 3.73Å; Y612-L725 HydrophobicContact CE1-CD1 3.6Å
613	L	97.4	Very high	95.2	Very high	9 Å²	9	29.9 Å²	29.9	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-40.8	-176.2	-76.2	173.6	0	0	0	112.8	I609 L610 H617 L725 V728 W729	I609-L613 HydrophobicContact CG2-CD1 3.75Å; I609-L613 HydrophobicContact CG2-CG 4.45Å; I609-L613 WeakPolarHBondContact O-CB 3.35Å; I609-L613 WeakPolarHBondContact O-CG 3.43Å; I609-L613 PolarHBondContact O-N 3.23Å; L610-L613 PolarHBondContact O-N 3.31Å; L613-H617 WeakPolarHBondContact O-CB 3.39Å; L613-H617 PolarHBondContact O-N 3.42Å; L613-L725 HydrophobicContact CD2-CB 4.26Å; L613-V728 HydrophobicContact CD1-CB 4.09Å; L613-V728 HydrophobicContact CD1-CG1 3.84Å; L613-W729 HydrophobicContact CB-CD2 4.33Å; L613-W729 HydrophobicContact CB-CE3 3.7Å; L613-W729 HydrophobicContact CB-CZ3 3.94Å; L613-W729 HydrophobicContact CD1-CB 4.16Å; L613-W729 HydrophobicContact CD1-CE3 4.03Å; L613-W729 HydrophobicContact CD2-CB 4.05Å; L613-W729 HydrophobicContact CD2-CD2 4.44Å; L613-W729 HydrophobicContact CD2-CG 4.28Å; L613-W729 HydrophobicContact CG-CE3 4.31Å
614	I	96.1	Very high	94.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-68.8	-43.3	176.6	-64.3	161.3	0	0	0	109.9	L610 Y612 H617 L618 L637 V638 F643 W729 M736	L610-I614 HydrophobicContact CB-CD1 4.18Å; L610-I614 VanDerWaalsContact O-CB 3.24Å; L610-I614 WeakPolarHBondContact O-CB 3.21Å; L610-I614 VanDerWaalsContact O-CD1 3.32Å; L610-I614 WeakPolarHBondContact O-CD1 3.43Å; L610-I614 WeakPolarHBondContact O-CG1 3.33Å; L610-I614 PolarHBondContact O-N 3.1Å; Y612-I614 PolarHBondContact O-N 3.15Å; I614-H617 PolarHBondContact O-N 3.44Å; I614-L618 HydrophobicContact CG2-CD1 3.91Å; I614-L618 HydrophobicContact CG2-CG 4.37Å; I614-L618 WeakPolarHBondContact O-CB 3.32Å; I614-L618 VanDerWaalsContact O-CG 3.25Å; I614-L618 WeakPolarHBondContact O-CG 3.45Å; I614-L618 PolarHBondContact O-N 3.11Å; I614-L637 HydrophobicContact CG2-CB 3.92Å; I614-L637 HydrophobicContact CG2-CD1 4.28Å; I614-V638 HydrophobicContact CB-CG2 4.04Å; I614-V638 HydrophobicContact CD1-CG2 3.84Å; I614-V638 HydrophobicContact CG2-CG2 3.89Å; I614-F643 HydrophobicContact CD1-CE1 4.07Å; I614-F643 HydrophobicContact CD1-CZ 4.03Å; I614-W729 HydrophobicContact CG1-CH2 4.39Å; I614-W729 HydrophobicContact CG1-CZ3 4.29Å; I614-M736 HydrophobicContact CD1-CE 3.63Å; I614-M736 HydrophobicContact CD1-SD 3.83Å; I614-M736 HydrophobicContact CG1-CE 4.19Å; I614-M736 HydrophobicContact CG1-SD 4.09Å
615	T	95.9	Very high	94.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-44.5	177.3	-61.8	0	0	0	0	112.2	M215 L216 S219 D611 Y612 L618 Y619 R634	M215-T615 HydrophobicContact CE-CG2 3.89Å; M215-T615 HydrophobicContact CG-CG2 3.95Å; L216-T615 HydrophobicContact CD1-CG2 4.43Å; S219-T615 WeakPolarHBondContact OG-CG2 3.38Å; D611-T615 WeakPolarHBondContact O-CB 3.4Å; D611-T615 PolarHBondContact O-N 3.17Å; D611-T615 PolarHBondContact O-OG1 3.13Å; Y612-T615 PolarHBondContact O-N 3.14Å; T615-L618 PolarHBondContact O-N 2.95Å; T615-Y619 VanDerWaalsContact O-CB 3.3Å; T615-Y619 WeakPolarHBondContact O-CB 3.34Å; T615-Y619 PolarHBondContact O-N 3.37Å; T615-R634 WeakPolarHBondContact OG1-CD 3.25Å
616	K	95.4	Very high	93.7	Very high	50 Å²	50	37.6 Å²	37.6	22%	0.217	19%	0.189	C	C	.	.	H	α-helix	trans	-56.1	-51.9	174.8	-174.3	-179.6	-161.7	161.9	0	110.8	L216 E474 Y612 L618 Y619 E620	L216-K616 HydrophobicContact CD1-CB 4.33Å; E474-K616 IonicContact OE1-NZ 3.17Å; E474-K616 PolarHBondContact OE1-NZ 2.93Å; Y612-K616 HydrophobicContact CE1-CD 4.07Å; Y612-K616 HydrophobicContact CE2-CB 4.21Å; Y612-K616 HydrophobicContact CE2-CD 4.39Å; Y612-K616 VanDerWaalsContact O-CB 3.23Å; Y612-K616 WeakPolarHBondContact O-CB 3.46Å; Y612-K616 PolarHBondContact O-N 3.08Å; Y612-K616 WeakPolarHBondContact OH-CD 3.31Å; Y612-K616 VanDerWaalsContact OH-CE 3.31Å; Y612-K616 WeakPolarHBondContact OH-CE 3.38Å; Y612-K616 PolarHBondContact OH-NZ 3.33Å; K616-L618 PolarHBondContact O-N 3.3Å; K616-Y619 PolarHBondContact O-N 2.89Å; K616-E620 VanDerWaalsContact CG-OE1 3.26Å; K616-E620 WeakPolarHBondContact CG-OE1 3.47Å; K616-E620 WeakPolarHBondContact O-CB 3.49Å; K616-E620 VanDerWaalsContact O-CG 3.3Å; K616-E620 WeakPolarHBondContact O-CG 3.26Å; K616-E620 PolarHBondContact O-N 3.38Å
617	H	95	Very high	93.2	Very high	40 Å²	40	38.9 Å²	38.9	19%	0.185	20%	0.197	C	C	.	.	H	α-helix	trans	-65.5	-37	-179.5	-175.8	63.3	0	0	0	113.6	L613 I614 D621 W729 Y733	L613-H617 WeakPolarHBondContact O-CB 3.39Å; L613-H617 PolarHBondContact O-N 3.42Å; I614-H617 PolarHBondContact O-N 3.44Å; H617-D621 PolarHBondContact O-N 3.05Å; H617-W729 HydrophobicContact CB-CH2 4.25Å; H617-W729 HydrophobicContact CB-CZ2 3.66Å; H617-W729 AromaticContact CD2-CZ2 3.91Å; H617-W729 AromaticContact CG-CZ2 3.65Å; H617-Y733 AromaticContact CE1-CE2 3.73Å; H617-Y733 AromaticContact NE2-CE2 3.59Å
618	L	93.8	Very high	92.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-68.1	-35.5	173.6	-71.4	172.3	0	0	0	112.5	I614 T615 K616 D621 L630 L633 R634 L637	I614-L618 HydrophobicContact CG2-CD1 3.91Å; I614-L618 HydrophobicContact CG2-CG 4.37Å; I614-L618 WeakPolarHBondContact O-CB 3.32Å; I614-L618 VanDerWaalsContact O-CG 3.25Å; I614-L618 WeakPolarHBondContact O-CG 3.45Å; I614-L618 PolarHBondContact O-N 3.11Å; T615-L618 PolarHBondContact O-N 2.95Å; K616-L618 PolarHBondContact O-N 3.3Å; L618-D621 WeakPolarHBondContact O-CB 3.44Å; L618-L630 HydrophobicContact CB-CD2 4Å; L618-L630 VanDerWaalsContact O-CD2 3.25Å; L618-L630 WeakPolarHBondContact O-CD2 3.3Å; L618-L633 HydrophobicContact CD1-CB 3.98Å; L618-L633 HydrophobicContact CD2-CB 4.06Å; L618-L633 HydrophobicContact CD2-CD1 4.17Å; L618-R634 HydrophobicContact CD1-CB 4.31Å; L618-L637 HydrophobicContact CD1-CD1 4.09Å; L618-L637 HydrophobicContact CD2-CD1 3.91Å; L618-L637 HydrophobicContact CG-CD1 4.37Å
619	Y	93.7	Very high	92.1	Very high	37 Å²	37	39 Å²	39	15%	0.145	20%	0.204	C	C	.	.	H	α-helix	trans	-70.8	-36.6	176	177.6	-82.1	0	0	0	112.1	R212 L213 L216 T615 K616 D621	R212-Y619 HydrophobicContact CB-CD2 4.42Å; R212-Y619 HydrophobicContact CB-CE2 3.96Å; R212-Y619 PolarHBondContact NH2-O 3.15Å; R212-Y619 WeakPolarHBondContact O-CD2 3.37Å; R212-Y619 WeakPolarHBondContact O-CE2 3.42Å; L213-Y619 HydrophobicContact CD2-CE2 4.4Å; L213-Y619 VanDerWaalsContact CD2-OH 3.31Å; L213-Y619 WeakPolarHBondContact CD2-OH 3.23Å; L216-Y619 HydrophobicContact CB-CD2 4.17Å; L216-Y619 HydrophobicContact CB-CE2 4.47Å; L216-Y619 HydrophobicContact CD2-CD1 4Å; L216-Y619 HydrophobicContact CD2-CD2 4.29Å; L216-Y619 HydrophobicContact CD2-CE1 4.01Å; L216-Y619 HydrophobicContact CD2-CE2 4.3Å; L216-Y619 HydrophobicContact CD2-CG 4.16Å; T615-Y619 VanDerWaalsContact O-CB 3.3Å; T615-Y619 WeakPolarHBondContact O-CB 3.34Å; T615-Y619 PolarHBondContact O-N 3.37Å; K616-Y619 PolarHBondContact O-N 2.89Å; Y619-D621 VanDerWaalsContact C-N 3.26Å; Y619-D621 PolarHBondContact O-N 2.87Å
620	E	92.8	Very high	91.7	Very high	120 Å²	120	39.1 Å²	39.1	56%	0.561	21%	0.205	S	C	*	.	S	Bend	trans	-77.7	-3.6	177.4	-70.4	170.3	-176.1	0	0	113.5	K616 P622	K616-E620 VanDerWaalsContact CG-OE1 3.26Å; K616-E620 WeakPolarHBondContact CG-OE1 3.47Å; K616-E620 WeakPolarHBondContact O-CB 3.49Å; K616-E620 VanDerWaalsContact O-CG 3.3Å; K616-E620 WeakPolarHBondContact O-CG 3.26Å; K616-E620 PolarHBondContact O-N 3.38Å; E620-P622 WeakPolarHBondContact O-CD 3.22Å
621	D	90.2	Very high	91.3	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.07	22%	0.223	C	C	.	.			trans	-64.3	125	-177.3	-165.4	-57.5	0	0	0	112.3	H617 L618 Y619 R623 Q624	H617-D621 PolarHBondContact O-N 3.05Å; L618-D621 WeakPolarHBondContact O-CB 3.44Å; Y619-D621 VanDerWaalsContact C-N 3.26Å; Y619-D621 PolarHBondContact O-N 2.87Å; D621-R623 PolarHBondContact O-N 3.17Å; D621-R623 WeakPolarHBondContact OD1-CB 3.38Å; D621-R623 WeakPolarHBondContact OD1-CG 3.35Å; D621-R623 IonicContact OD1-CZ 2.64Å; D621-R623 PolarHBondContact OD1-N 2.85Å; D621-R623 IonicContact OD1-NE 2.73Å; D621-R623 PolarHBondContact OD1-NE 2.99Å; D621-R623 IonicContact OD1-NH2 2.93Å; D621-R623 IonicContact OD2-CZ 2.69Å; D621-R623 VanDerWaalsContact OD2-CZ 3.29Å; D621-R623 IonicContact OD2-NE 2.72Å; D621-R623 PolarHBondContact OD2-NE 2.8Å; D621-R623 VanDerWaalsContact OD2-NE 3.15Å; D621-R623 IonicContact OD2-NH2 2.73Å; D621-R623 PolarHBondContact OD2-NH2 2.82Å; D621-Q624 PolarHBondContact O-N 3.25Å
622	P	87.4	Confident	90.9	Very high	126 Å²	126	42.5 Å²	42.5	82%	0.818	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.1	178.6	-27.5	35.8	0	0	0	115.6	E620 Q624	E620-P622 WeakPolarHBondContact O-CD 3.22Å; P622-Q624 PolarHBondContact O-N 3.11Å
623	R	85.8	Confident	90.6	Very high	117 Å²	117	42.4 Å²	42.4	44%	0.442	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.7	172.7	-70.8	169.9	-83.5	-148.3	-10.2	113.5	D621 H625 S744	D621-R623 PolarHBondContact O-N 3.17Å; D621-R623 WeakPolarHBondContact OD1-CB 3.38Å; D621-R623 WeakPolarHBondContact OD1-CG 3.35Å; D621-R623 IonicContact OD1-CZ 2.64Å; D621-R623 PolarHBondContact OD1-N 2.85Å; D621-R623 IonicContact OD1-NE 2.73Å; D621-R623 PolarHBondContact OD1-NE 2.99Å; D621-R623 IonicContact OD1-NH2 2.93Å; D621-R623 IonicContact OD2-CZ 2.69Å; D621-R623 VanDerWaalsContact OD2-CZ 3.29Å; D621-R623 IonicContact OD2-NE 2.72Å; D621-R623 PolarHBondContact OD2-NE 2.8Å; D621-R623 VanDerWaalsContact OD2-NE 3.15Å; D621-R623 IonicContact OD2-NH2 2.73Å; D621-R623 PolarHBondContact OD2-NH2 2.82Å; R623-H625 VanDerWaalsContact C-N 3.32Å; R623-H625 PolarHBondContact O-N 3.18Å; R623-S744 VanDerWaalsContact CZ-CB 3.41Å; R623-S744 PolarHBondContact NH1-O 2.97Å
624	Q	85.4	Confident	90.3	Very high	125 Å²	125	43.8 Å²	43.8	58%	0.584	23%	0.229	S	C	*	.			trans	49	49.8	175.4	-70.2	-75.8	39	0	0	113.6	D621 P622	D621-Q624 PolarHBondContact O-N 3.25Å; P622-Q624 PolarHBondContact O-N 3.11Å
625	H	86.4	Confident	89.9	Confident	26 Å²	26	47.2 Å²	47.2	12%	0.12	25%	0.253	C	S	.	.			trans	-51.3	148.2	-179.4	-62.9	-64.4	0	0	0	113.2	R212 R623 V629 L630	R212-H625 PolarHBondContact NH1-O 3.45Å; R623-H625 VanDerWaalsContact C-N 3.32Å; R623-H625 PolarHBondContact O-N 3.18Å; H625-V629 HydrophobicContact CB-CB 4.24Å; H625-V629 HydrophobicContact CB-CG1 3.87Å; H625-L630 HydrophobicContact CB-CD2 3.77Å; H625-L630 HydrophobicContact CB-CG 3.83Å
626	S	88.2	Confident	89.6	Confident	65 Å²	65	47.9 Å²	47.9	46%	0.455	26%	0.259	S	S	.	.			trans	-71.7	156.6	175.5	65.2	0	0	0	0	111.6	G628 V629 L630	S626-G628 PolarHBondContact O-N 2.91Å; S626-V629 WeakPolarHBondContact O-CA 3.14Å; S626-V629 PolarHBondContact O-N 3.49Å; S626-V629 WeakPolarHBondContact OG-CG2 3.19Å; S626-L630 PolarHBondContact O-N 3.4Å
627	P	87.1	Confident	89.4	Confident	26 Å²	26	45.5 Å²	45.5	17%	0.169	25%	0.248	C	C	.	.	H	α-helix	trans	-50.4	-42.6	179.5	-27.1	32.5	0	0	0	113.8	E211 R212 V629 L630 T631	E211-P627 HydrophobicContact CB-CB 3.64Å; E211-P627 HydrophobicContact CB-CG 3.65Å; E211-P627 WeakPolarHBondContact OE2-CG 2.91Å; R212-P627 HydrophobicContact CG-CG 3.72Å; P627-V629 VanDerWaalsContact C-N 3.34Å; P627-V629 PolarHBondContact O-N 3.28Å; P627-L630 PolarHBondContact O-N 3.4Å; P627-T631 WeakPolarHBondContact O-CB 3.24Å; P627-T631 PolarHBondContact O-N 3.34Å; P627-T631 PolarHBondContact O-OG1 2.81Å
628	G	85.2	Confident	89.2	Confident	22 Å²	22	45.2 Å²	45.2	23%	0.227	25%	0.25	C	C	.	.	H	α-helix	trans	-65.3	-32.2	177	0	0	0	0	0	114	S626 D632 R753	S626-G628 PolarHBondContact O-N 2.91Å; G628-D632 PolarHBondContact O-N 3.37Å; G628-R753 PolarHBondContact O-NH1 2.85Å
629	V	87.6	Confident	89	Confident	28 Å²	28	48.1 Å²	48.1	17%	0.17	27%	0.265	C	S	.	.	H	α-helix	trans	-80.5	-40.2	176.1	169.1	0	0	0	0	111.1	H625 S626 P627 T631 D632 L633 V747	H625-V629 HydrophobicContact CB-CB 4.24Å; H625-V629 HydrophobicContact CB-CG1 3.87Å; S626-V629 WeakPolarHBondContact O-CA 3.14Å; S626-V629 PolarHBondContact O-N 3.49Å; S626-V629 WeakPolarHBondContact OG-CG2 3.19Å; P627-V629 VanDerWaalsContact C-N 3.34Å; P627-V629 PolarHBondContact O-N 3.28Å; V629-T631 VanDerWaalsContact C-N 3.26Å; V629-T631 PolarHBondContact O-N 3.43Å; V629-D632 PolarHBondContact O-N 3.27Å; V629-L633 HydrophobicContact CG1-CD1 3.86Å; V629-L633 HydrophobicContact CG1-CG 4.33Å; V629-L633 WeakPolarHBondContact O-CB 3.18Å; V629-L633 WeakPolarHBondContact O-CG 3.32Å; V629-L633 PolarHBondContact O-N 3.02Å; V629-V747 HydrophobicContact CG1-CG1 4.07Å; V629-V747 HydrophobicContact CG1-CG2 3.82Å
630	L	90.3	Very high	88.9	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-57.8	-42.2	172.4	-70.1	171.4	0	0	0	110.9	R212 M215 L618 H625 S626 P627 L633 R634	R212-L630 HydrophobicContact CG-CD1 4.11Å; M215-L630 HydrophobicContact CE-CB 3.75Å; M215-L630 WeakPolarHBondContact CE-O 3.42Å; M215-L630 HydrophobicContact SD-CB 3.62Å; L618-L630 HydrophobicContact CB-CD2 4Å; L618-L630 VanDerWaalsContact O-CD2 3.25Å; L618-L630 WeakPolarHBondContact O-CD2 3.3Å; H625-L630 HydrophobicContact CB-CD2 3.77Å; H625-L630 HydrophobicContact CB-CG 3.83Å; S626-L630 PolarHBondContact O-N 3.4Å; P627-L630 PolarHBondContact O-N 3.4Å; L630-L633 PolarHBondContact O-N 3.28Å; L630-R634 WeakPolarHBondContact O-CB 3.43Å; L630-R634 PolarHBondContact O-N 2.89Å
631	T	89.7	Confident	88.8	Confident	63 Å²	63	46 Å²	46	39%	0.387	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-43.2	176	-58.8	0	0	0	0	112.5	P627 V629 S635	P627-T631 WeakPolarHBondContact O-CB 3.24Å; P627-T631 PolarHBondContact O-N 3.34Å; P627-T631 PolarHBondContact O-OG1 2.81Å; V629-T631 VanDerWaalsContact C-N 3.26Å; V629-T631 PolarHBondContact O-N 3.43Å; T631-S635 VanDerWaalsContact O-CB 3.29Å; T631-S635 WeakPolarHBondContact O-CB 3.09Å; T631-S635 PolarHBondContact O-N 3.41Å; T631-S635 PolarHBondContact O-OG 2.9Å
632	D	87.9	Confident	88.9	Confident	19 Å²	19	46.7 Å²	46.7	10%	0.102	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-45.4	174.2	-76.2	-8.1	0	0	0	110.8	G628 V629 S635 A636 V747 R753	G628-D632 PolarHBondContact O-N 3.37Å; V629-D632 PolarHBondContact O-N 3.27Å; D632-S635 PolarHBondContact O-N 2.95Å; D632-A636 WeakPolarHBondContact O-CB 3.25Å; D632-A636 PolarHBondContact O-N 3.44Å; D632-A636 VanDerWaalsContact O-N 3.09Å; D632-V747 HydrophobicContact CB-CG1 4.24Å; D632-R753 IonicContact OD1-CZ 2.71Å; D632-R753 IonicContact OD1-NH1 2.76Å; D632-R753 PolarHBondContact OD1-NH1 2.8Å; D632-R753 IonicContact OD2-CZ 3.77Å; D632-R753 IonicContact OD2-NE 2.71Å; D632-R753 IonicContact OD2-NH1 3.2Å; D632-R753 PolarHBondContact OD2-NH1 2.93Å
633	L	90.8	Very high	89.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-47.4	178.9	-72.9	168.5	0	0	0	112.5	L618 V629 L630 S635 A636 L637 F743 V747	L618-L633 HydrophobicContact CD1-CB 3.98Å; L618-L633 HydrophobicContact CD2-CB 4.06Å; L618-L633 HydrophobicContact CD2-CD1 4.17Å; V629-L633 HydrophobicContact CG1-CD1 3.86Å; V629-L633 HydrophobicContact CG1-CG 4.33Å; V629-L633 WeakPolarHBondContact O-CB 3.18Å; V629-L633 WeakPolarHBondContact O-CG 3.32Å; V629-L633 PolarHBondContact O-N 3.02Å; L630-L633 PolarHBondContact O-N 3.28Å; L633-S635 PolarHBondContact O-N 3.2Å; L633-A636 PolarHBondContact O-N 2.96Å; L633-L637 WeakPolarHBondContact O-CB 3.43Å; L633-L637 WeakPolarHBondContact O-CG 3.42Å; L633-L637 PolarHBondContact O-N 2.81Å; L633-F743 HydrophobicContact CD2-CB 4.1Å; L633-F743 VanDerWaalsContact CD2-O 3.31Å; L633-F743 WeakPolarHBondContact CD2-O 3.5Å; L633-V747 HydrophobicContact CD2-CG1 4.33Å; L633-V747 HydrophobicContact CD2-CG2 4.35Å; L633-V747 HydrophobicContact CG-CG1 4.33Å
634	R	91.6	Very high	89.8	Confident	39 Å²	39	35.1 Å²	35.1	15%	0.147	21%	0.206	C	C	.	.	H	α-helix	trans	-57.6	-48.9	174.8	174.6	161.8	77	149.5	-8.7	110.9	M215 D218 D611 T615 L618 L630 A636 L637 V638	M215-R634 HydrophobicContact CE-CB 3.72Å; M215-R634 HydrophobicContact CE-CG 4.37Å; D218-R634 IonicContact OD2-CZ 3.25Å; D218-R634 VanDerWaalsContact OD2-CZ 3.29Å; D218-R634 IonicContact OD2-NH1 3.79Å; D218-R634 PolarHBondContact OD2-NH1 2.81Å; D218-R634 IonicContact OD2-NH2 3.72Å; D218-R634 PolarHBondContact OD2-NH2 2.97Å; D611-R634 WeakPolarHBondContact OD1-CD 3.27Å; D611-R634 IonicContact OD1-NH1 3.54Å; D611-R634 PolarHBondContact OD1-NH1 3.35Å; D611-R634 IonicContact OD2-NH1 3.73Å; T615-R634 WeakPolarHBondContact OG1-CD 3.25Å; L618-R634 HydrophobicContact CD1-CB 4.31Å; L630-R634 WeakPolarHBondContact O-CB 3.43Å; L630-R634 PolarHBondContact O-N 2.89Å; R634-A636 PolarHBondContact O-N 3.48Å; R634-A636 VanDerWaalsContact O-N 3.17Å; R634-L637 PolarHBondContact O-N 2.89Å; R634-V638 HydrophobicContact CG-CB 4.47Å; R634-V638 HydrophobicContact CG-CG2 3.96Å; R634-V638 WeakPolarHBondContact O-CB 3.3Å; R634-V638 PolarHBondContact O-N 2.91Å
635	S	88.4	Confident	90.1	Very high	72 Å²	72	30.1 Å²	30.1	50%	0.503	19%	0.185	S	C	.	.	H	α-helix	trans	-64.1	-19.7	179.9	-56.9	0	0	0	0	114.1	T631 D632 L633	T631-S635 VanDerWaalsContact O-CB 3.29Å; T631-S635 WeakPolarHBondContact O-CB 3.09Å; T631-S635 PolarHBondContact O-N 3.41Å; T631-S635 PolarHBondContact O-OG 2.9Å; D632-S635 PolarHBondContact O-N 2.95Å; L633-S635 PolarHBondContact O-N 3.2Å
636	A	88.1	Confident	90.5	Very high	15 Å²	15	29.2 Å²	29.2	12%	0.124	18%	0.181	C	C	.	.	H	α-helix	trans	-93.4	-33.9	176.7	0	0	0	0	0	113.3	D632 L633 R634 I642 F743 P748	D632-A636 WeakPolarHBondContact O-CB 3.25Å; D632-A636 PolarHBondContact O-N 3.44Å; D632-A636 VanDerWaalsContact O-N 3.09Å; L633-A636 PolarHBondContact O-N 2.96Å; R634-A636 PolarHBondContact O-N 3.48Å; R634-A636 VanDerWaalsContact O-N 3.17Å; A636-I642 WeakPolarHBondContact O-CG1 3.42Å; A636-F743 HydrophobicContact CB-CD2 3.93Å; A636-F743 HydrophobicContact CB-CE2 3.94Å; A636-P748 HydrophobicContact CB-CB 4.31Å; A636-P748 HydrophobicContact CB-CG 3.36Å
637	L	91.5	Very high	90.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-89	-40.6	-178.4	-69.9	166.1	0	0	0	113.1	I614 L618 L633 R634 N639 F643 L739 I740 F743	I614-L637 HydrophobicContact CG2-CB 3.92Å; I614-L637 HydrophobicContact CG2-CD1 4.28Å; L618-L637 HydrophobicContact CD1-CD1 4.09Å; L618-L637 HydrophobicContact CD2-CD1 3.91Å; L618-L637 HydrophobicContact CG-CD1 4.37Å; L633-L637 WeakPolarHBondContact O-CB 3.43Å; L633-L637 WeakPolarHBondContact O-CG 3.42Å; L633-L637 PolarHBondContact O-N 2.81Å; R634-L637 PolarHBondContact O-N 2.89Å; L637-N639 PolarHBondContact O-N 3.38Å; L637-N639 VanDerWaalsContact O-N 3.17Å; L637-F643 WeakPolarHBondContact O-CE1 3.4Å; L637-L739 HydrophobicContact CD2-CD2 4.13Å; L637-L739 HydrophobicContact CD2-CG 3.99Å; L637-I740 HydrophobicContact CD1-CG1 4.09Å; L637-I740 HydrophobicContact CD2-CG1 4.01Å; L637-F743 HydrophobicContact CD2-CB 4.45Å; L637-F743 HydrophobicContact CD2-CD2 3.59Å; L637-F743 HydrophobicContact CD2-CE2 4.23Å; L637-F743 HydrophobicContact CD2-CG 4.33Å; L637-F743 HydrophobicContact CG-CD2 3.92Å
638	V	92.5	Very high	91.2	Very high	35 Å²	35	25.3 Å²	25.3	21%	0.212	15%	0.154	C	C	.	.	S	Bend	trans	-85.1	82.3	174.6	-171	0	0	0	0	107.8	D611 I614 R634 F643	D611-V638 HydrophobicContact CB-CG1 4.37Å; I614-V638 HydrophobicContact CB-CG2 4.04Å; I614-V638 HydrophobicContact CD1-CG2 3.84Å; I614-V638 HydrophobicContact CG2-CG2 3.89Å; R634-V638 HydrophobicContact CG-CB 4.47Å; R634-V638 HydrophobicContact CG-CG2 3.96Å; R634-V638 WeakPolarHBondContact O-CB 3.3Å; R634-V638 PolarHBondContact O-N 2.91Å; V638-F643 HydrophobicContact CG1-CE2 4.39Å; V638-F643 HydrophobicContact CG1-CZ 4.25Å
639	N	89.5	Confident	91.6	Very high	62 Å²	62	28.6 Å²	28.6	33%	0.332	16%	0.162	S	C	.	.			trans	-154.2	122.2	-170.1	-171.5	-44.7	0	0	0	110.9	L637 T641 I642 F643	L637-N639 PolarHBondContact O-N 3.38Å; L637-N639 VanDerWaalsContact O-N 3.17Å; N639-T641 PolarHBondContact O-N 2.91Å; N639-T641 VanDerWaalsContact O-N 3.12Å; N639-T641 WeakPolarHBondContact OD1-CB 3.25Å; N639-T641 PolarHBondContact OD1-N 2.81Å; N639-I642 HydrophobicContact CB-CB 4.22Å; N639-I642 HydrophobicContact CB-CG1 4.2Å; N639-I642 WeakPolarHBondContact O-CA 3.3Å; N639-I642 WeakPolarHBondContact O-CB 3.35Å; N639-I642 PolarHBondContact O-N 2.85Å; N639-F643 WeakPolarHBondContact O-CG 3.4Å; N639-F643 PolarHBondContact O-N 3.44Å
640	N	90.6	Very high	91.9	Very high	45 Å²	45	29.3 Å²	29.3	24%	0.241	16%	0.162	C	C	.	.	H	α-helix	trans	-54.3	-32.2	-179.2	-178.1	-90.5	0	0	0	113.1	F643 A644 K704 D708	N640-F643 PolarHBondContact O-N 3.44Å; N640-A644 VanDerWaalsContact O-CB 3.28Å; N640-A644 WeakPolarHBondContact O-CB 3.45Å; N640-A644 PolarHBondContact O-N 2.73Å; N640-K704 PolarHBondContact ND2-O 3.5Å; N640-K704 WeakPolarHBondContact OD1-CA 3.35Å; N640-D708 PolarHBondContact ND2-OD1 2.87Å
641	T	90.8	Very high	92.2	Very high	66 Å²	66	30.9 Å²	30.9	41%	0.405	17%	0.17	S	C	.	.	H	α-helix	trans	-66.8	-38.3	172.3	-58.8	0	0	0	0	112.7	N639 S645 V702	N639-T641 PolarHBondContact O-N 2.91Å; N639-T641 VanDerWaalsContact O-N 3.12Å; N639-T641 WeakPolarHBondContact OD1-CB 3.25Å; N639-T641 PolarHBondContact OD1-N 2.81Å; T641-S645 WeakPolarHBondContact O-CB 3.48Å; T641-S645 PolarHBondContact O-N 2.92Å; T641-V702 HydrophobicContact CG2-CG1 4.25Å; T641-V702 HydrophobicContact CG2-CG2 3.96Å
642	I	92	Very high	92.6	Very high	28 Å²	28	27.9 Å²	27.9	14%	0.144	15%	0.152	C	C	.	.	H	α-helix	trans	-70.5	-43.9	175.6	-71.4	-60.9	0	0	0	110.5	A636 N639 S645 L646 L739 F743	A636-I642 WeakPolarHBondContact O-CG1 3.42Å; N639-I642 HydrophobicContact CB-CB 4.22Å; N639-I642 HydrophobicContact CB-CG1 4.2Å; N639-I642 WeakPolarHBondContact O-CA 3.3Å; N639-I642 WeakPolarHBondContact O-CB 3.35Å; N639-I642 PolarHBondContact O-N 2.85Å; I642-S645 WeakPolarHBondContact O-CB 3.28Å; I642-S645 PolarHBondContact O-N 2.84Å; I642-S645 VanDerWaalsContact O-N 3.12Å; I642-S645 PolarHBondContact O-OG 3.12Å; I642-L646 HydrophobicContact CG2-CD1 4.14Å; I642-L646 WeakPolarHBondContact O-CG 3.31Å; I642-L646 PolarHBondContact O-N 3.02Å; I642-L739 HydrophobicContact CB-CD2 4.4Å; I642-L739 HydrophobicContact CD1-CD2 3.92Å; I642-L739 HydrophobicContact CG1-CD2 4.35Å; I642-L739 HydrophobicContact CG2-CD2 3.27Å; I642-F743 HydrophobicContact CD1-CE2 4.4Å; I642-F743 HydrophobicContact CD1-CZ 4.29Å
643	F	96	Very high	93	Very high	1 Å²	1	28 Å²	28	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-45.4	176.1	-62.7	-27	0	0	0	111.9	L610 I614 L637 V638 N639 N640 S645 L646 A647 F710 E711 M736	L610-F643 HydrophobicContact CB-CZ 4.31Å; L610-F643 HydrophobicContact CD1-CE1 4.4Å; L610-F643 HydrophobicContact CD1-CZ 4.2Å; I614-F643 HydrophobicContact CD1-CE1 4.07Å; I614-F643 HydrophobicContact CD1-CZ 4.03Å; L637-F643 WeakPolarHBondContact O-CE1 3.4Å; V638-F643 HydrophobicContact CG1-CE2 4.39Å; V638-F643 HydrophobicContact CG1-CZ 4.25Å; N639-F643 WeakPolarHBondContact O-CG 3.4Å; N639-F643 PolarHBondContact O-N 3.44Å; N640-F643 PolarHBondContact O-N 3.44Å; F643-S645 VanDerWaalsContact C-N 3.33Å; F643-S645 PolarHBondContact O-N 2.98Å; F643-L646 PolarHBondContact O-N 3.12Å; F643-A647 WeakPolarHBondContact O-CB 3.48Å; F643-A647 PolarHBondContact O-N 2.89Å; F643-F710 HydrophobicContact CB-CB 4.02Å; F643-F710 HydrophobicContact CB-CD1 3.6Å; F643-F710 HydrophobicContact CB-CE1 4.36Å; F643-F710 HydrophobicContact CB-CG 4.03Å; F643-F710 AromaticContact CD1-CD1 3.51Å; F643-F710 HydrophobicContact CD1-CD1 3.51Å; F643-F710 AromaticContact CD1-CE1 3.47Å; F643-F710 HydrophobicContact CD1-CE1 3.47Å; F643-F710 VanDerWaalsContact CD1-CE1 3.47Å; F643-F710 HydrophobicContact CE1-CD1 4.28Å; F643-F710 HydrophobicContact CE1-CE1 4.01Å; F643-F710 AromaticContact CG-CD1 3.64Å; F643-F710 HydrophobicContact CG-CD1 3.64Å; F643-F710 HydrophobicContact CG-CE1 4.12Å; F643-E711 HydrophobicContact CD2-CG 3.84Å; F643-E711 WeakPolarHBondContact CD2-OE1 3.31Å; F643-E711 HydrophobicContact CE2-CG 4Å; F643-E711 WeakPolarHBondContact CE2-OE1 3.41Å; F643-M736 HydrophobicContact CD1-CE 4.46Å; F643-M736 HydrophobicContact CE1-CE 3.83Å; F643-M736 HydrophobicContact CE1-SD 4.49Å
644	A	95.2	Very high	93.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.6	-43.4	170.9	0	0	0	0	0	112.4	N640 L646 A647 V648 F670 V702 M706	N640-A644 VanDerWaalsContact O-CB 3.28Å; N640-A644 WeakPolarHBondContact O-CB 3.45Å; N640-A644 PolarHBondContact O-N 2.73Å; A644-L646 VanDerWaalsContact C-N 3.28Å; A644-L646 PolarHBondContact O-N 3.02Å; A644-A647 PolarHBondContact O-N 3.27Å; A644-V648 WeakPolarHBondContact O-CG2 3.47Å; A644-V648 PolarHBondContact O-N 3.39Å; A644-F670 HydrophobicContact CB-CE1 4.01Å; A644-F670 HydrophobicContact CB-CZ 4.32Å; A644-V702 HydrophobicContact CB-CG1 3.92Å; A644-M706 HydrophobicContact CB-CB 3.75Å
645	S	92.8	Very high	93.5	Very high	19 Å²	19	34.2 Å²	34.2	13%	0.133	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-34.1	178.2	85.9	0	0	0	0	113.1	T641 I642 F643 K649	T641-S645 WeakPolarHBondContact O-CB 3.48Å; T641-S645 PolarHBondContact O-N 2.92Å; I642-S645 WeakPolarHBondContact O-CB 3.28Å; I642-S645 PolarHBondContact O-N 2.84Å; I642-S645 VanDerWaalsContact O-N 3.12Å; I642-S645 PolarHBondContact O-OG 3.12Å; F643-S645 VanDerWaalsContact C-N 3.33Å; F643-S645 PolarHBondContact O-N 2.98Å; S645-K649 WeakPolarHBondContact O-CB 3.17Å; S645-K649 PolarHBondContact O-N 3.46Å
646	L	94.4	Very high	93.9	Very high	7 Å²	7	31.3 Å²	31.3	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-80	-43.2	177.2	-68.3	173.7	0	0	0	111.4	I642 F643 A644 V648 K649 Y650 F710 M736	I642-L646 HydrophobicContact CG2-CD1 4.14Å; I642-L646 WeakPolarHBondContact O-CG 3.31Å; I642-L646 PolarHBondContact O-N 3.02Å; F643-L646 PolarHBondContact O-N 3.12Å; A644-L646 VanDerWaalsContact C-N 3.28Å; A644-L646 PolarHBondContact O-N 3.02Å; L646-V648 VanDerWaalsContact C-N 3.29Å; L646-V648 PolarHBondContact O-N 3.17Å; L646-K649 WeakPolarHBondContact O-CB 3.41Å; L646-K649 PolarHBondContact O-N 3.18Å; L646-K649 VanDerWaalsContact O-N 3.08Å; L646-Y650 HydrophobicContact CD2-CE2 4.44Å; L646-Y650 VanDerWaalsContact O-CD2 3.31Å; L646-Y650 WeakPolarHBondContact O-CD2 3.39Å; L646-Y650 PolarHBondContact O-N 2.94Å; L646-F710 HydrophobicContact CB-CD2 4.31Å; L646-F710 HydrophobicContact CB-CE2 3.74Å; L646-F710 HydrophobicContact CB-CZ 4.01Å; L646-F710 HydrophobicContact CD1-CE1 4.36Å; L646-F710 HydrophobicContact CD1-CE2 4.45Å; L646-F710 HydrophobicContact CD1-CZ 3.86Å; L646-M736 HydrophobicContact CD1-CE 4.27Å; L646-M736 HydrophobicContact CD1-CG 4.03Å
647	A	96.6	Very high	94.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-55.3	-44.5	175.2	0	0	0	0	0	111.8	F643 A644 Y650 D651 Y652 M706 F710	F643-A647 WeakPolarHBondContact O-CB 3.48Å; F643-A647 PolarHBondContact O-N 2.89Å; A644-A647 PolarHBondContact O-N 3.27Å; A647-Y650 CarbonylContact O-C 3.49Å; A647-Y650 PolarHBondContact O-N 3.31Å; A647-D651 PolarHBondContact O-N 3.31Å; A647-Y652 HydrophobicContact CB-CD1 4.33Å; A647-Y652 HydrophobicContact CB-CD2 4.13Å; A647-Y652 HydrophobicContact CB-CG 3.89Å; A647-Y652 WeakPolarHBondContact O-CB 3.44Å; A647-Y652 VanDerWaalsContact O-CD1 3.28Å; A647-Y652 WeakPolarHBondContact O-CD1 3.25Å; A647-Y652 PolarHBondContact O-N 3.41Å; A647-M706 HydrophobicContact CB-CB 4.28Å; A647-M706 WeakPolarHBondContact CB-O 3.43Å; A647-F710 HydrophobicContact CB-CB 4.23Å; A647-F710 HydrophobicContact CB-CD2 4.24Å
648	V	94.8	Very high	94.5	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.055	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-52	171.9	162.7	0	0	0	0	111.6	A644 L646 Y650 D651 H653 F670 V671 Q674	A644-V648 WeakPolarHBondContact O-CG2 3.47Å; A644-V648 PolarHBondContact O-N 3.39Å; L646-V648 VanDerWaalsContact C-N 3.29Å; L646-V648 PolarHBondContact O-N 3.17Å; V648-Y650 PolarHBondContact O-N 3.35Å; V648-D651 PolarHBondContact O-N 2.94Å; V648-D651 VanDerWaalsContact O-N 3.08Å; V648-H653 PolarHBondContact O-CE1 3.46Å; V648-H653 VanDerWaalsContact O-CE1 3.29Å; V648-H653 PolarHBondContact O-ND1 3.17Å; V648-F670 HydrophobicContact CG2-CD1 3.76Å; V648-F670 HydrophobicContact CG2-CE1 3.85Å; V648-V671 HydrophobicContact CB-CG2 4.44Å; V648-V671 HydrophobicContact CG1-CB 4.3Å; V648-V671 HydrophobicContact CG1-CG1 4.46Å; V648-V671 HydrophobicContact CG1-CG2 3.88Å; V648-V671 HydrophobicContact CG2-CG2 3.8Å; V648-Q674 HydrophobicContact CG1-CB 3.92Å; V648-Q674 HydrophobicContact CG1-CG 4.45Å
649	K	92.8	Very high	94.6	Very high	92 Å²	92	34.2 Å²	34.2	40%	0.4	17%	0.171	S	C	.	.	H	α-helix	trans	-58.7	-29.9	-179.6	-177.7	-179	176.2	-174.1	0	113.7	S645 L646	S645-K649 WeakPolarHBondContact O-CB 3.17Å; S645-K649 PolarHBondContact O-N 3.46Å; L646-K649 WeakPolarHBondContact O-CB 3.41Å; L646-K649 PolarHBondContact O-N 3.18Å; L646-K649 VanDerWaalsContact O-N 3.08Å
650	Y	94.9	Very high	94.9	Very high	43 Å²	43	32.8 Å²	32.8	17%	0.169	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	23.4	179	-70	-83	0	0	0	113.6	L646 A647 V648 Y652 M735	L646-Y650 HydrophobicContact CD2-CE2 4.44Å; L646-Y650 VanDerWaalsContact O-CD2 3.31Å; L646-Y650 WeakPolarHBondContact O-CD2 3.39Å; L646-Y650 PolarHBondContact O-N 2.94Å; A647-Y650 CarbonylContact O-C 3.49Å; A647-Y650 PolarHBondContact O-N 3.31Å; V648-Y650 PolarHBondContact O-N 3.35Å; Y650-Y652 WeakPolarHBondContact O-CD1 3.36Å; Y650-Y652 PolarHBondContact O-N 3.43Å; Y650-M735 HydrophobicContact CD1-CG 4Å; Y650-M735 HydrophobicContact CD1-SD 4.17Å; Y650-M735 HydrophobicContact CD2-CB 4.07Å; Y650-M735 HydrophobicContact CD2-CG 3.96Å; Y650-M735 HydrophobicContact CD2-SD 4.05Å; Y650-M735 HydrophobicContact CE1-CG 3.91Å; Y650-M735 HydrophobicContact CE2-CB 3.71Å; Y650-M735 HydrophobicContact CE2-CG 3.89Å; Y650-M735 HydrophobicContact CG-CG 4.06Å; Y650-M735 HydrophobicContact CG-SD 3.87Å
651	D	95.7	Very high	95	Very high	33 Å²	33	35.1 Å²	35.1	18%	0.176	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	13.8	171.2	-63.9	-59.5	0	0	0	117.1	K570 A647 V648 H653 K654 Y655	K570-D651 WeakPolarHBondContact CE-OD2 3.33Å; K570-D651 IonicContact NZ-OD2 3.09Å; K570-D651 PolarHBondContact NZ-OD2 2.99Å; A647-D651 PolarHBondContact O-N 3.31Å; V648-D651 PolarHBondContact O-N 2.94Å; V648-D651 VanDerWaalsContact O-N 3.08Å; D651-H653 VanDerWaalsContact C-N 3.27Å; D651-H653 PolarHBondContact O-N 3.36Å; D651-K654 HydrophobicContact CB-CD 4.16Å; D651-K654 WeakPolarHBondContact O-CB 3.48Å; D651-K654 PolarHBondContact O-N 3.32Å; D651-K654 IonicContact OD1-NZ 3.92Å; D651-K654 PolarHBondContact OD1-NZ 3.28Å; D651-Y655 HydrophobicContact CB-CE2 4.19Å; D651-Y655 VanDerWaalsContact O-CD2 3.27Å; D651-Y655 WeakPolarHBondContact O-CD2 3.45Å
652	Y	97.3	Very high	95.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-58	-38.9	-174.1	-74.1	50.7	0	0	0	112.2	F567 F585 A647 Y650 K654 Y655 F656 I709 F710 L713 M735	F567-Y652 AromaticContact CE2-CD1 3.67Å; F567-Y652 HydrophobicContact CE2-CD1 3.67Å; F567-Y652 AromaticContact CE2-CE1 3.81Å; F567-Y652 HydrophobicContact CE2-CE1 3.81Å; F567-Y652 HydrophobicContact CE2-CG 4.09Å; F567-Y652 AromaticContact CZ-CD1 3.97Å; F567-Y652 HydrophobicContact CZ-CD1 3.97Å; F567-Y652 HydrophobicContact CZ-CD2 4.24Å; F567-Y652 AromaticContact CZ-CE1 3.79Å; F567-Y652 HydrophobicContact CZ-CE1 3.79Å; F567-Y652 HydrophobicContact CZ-CE2 4.09Å; F567-Y652 HydrophobicContact CZ-CG 4.2Å; F567-Y652 AromaticContact CZ-CZ 3.88Å; F585-Y652 AromaticContact CE1-CD2 3.99Å; F585-Y652 HydrophobicContact CE1-CD2 3.99Å; F585-Y652 HydrophobicContact CE1-CG 4.18Å; F585-Y652 WeakPolarHBondContact CE1-O 3.31Å; F585-Y652 AromaticContact CZ-CD2 3.65Å; F585-Y652 HydrophobicContact CZ-CD2 3.65Å; F585-Y652 HydrophobicContact CZ-CE2 4.27Å; F585-Y652 HydrophobicContact CZ-CG 4.06Å; A647-Y652 HydrophobicContact CB-CD1 4.33Å; A647-Y652 HydrophobicContact CB-CD2 4.13Å; A647-Y652 HydrophobicContact CB-CG 3.89Å; A647-Y652 WeakPolarHBondContact O-CB 3.44Å; A647-Y652 VanDerWaalsContact O-CD1 3.28Å; A647-Y652 WeakPolarHBondContact O-CD1 3.25Å; A647-Y652 PolarHBondContact O-N 3.41Å; Y650-Y652 WeakPolarHBondContact O-CD1 3.36Å; Y650-Y652 PolarHBondContact O-N 3.43Å; Y652-K654 PolarHBondContact O-N 3.08Å; Y652-K654 VanDerWaalsContact O-N 3.08Å; Y652-Y655 PolarHBondContact O-N 3.43Å; Y652-F656 PolarHBondContact O-N 3.12Å; Y652-F656 VanDerWaalsContact O-N 3.15Å; Y652-I709 HydrophobicContact CD2-CD1 4.4Å; Y652-I709 HydrophobicContact CD2-CG1 4.15Å; Y652-F710 HydrophobicContact CE1-CD2 4.49Å; Y652-F710 AromaticContact CE2-CD2 3.97Å; Y652-F710 HydrophobicContact CE2-CD2 3.97Å; Y652-F710 AromaticContact CZ-CD2 3.82Å; Y652-L713 HydrophobicContact CD2-CD2 4.39Å; Y652-L713 HydrophobicContact CE2-CB 4.28Å; Y652-L713 HydrophobicContact CE2-CD2 3.44Å; Y652-L713 VanDerWaalsContact CE2-CD2 3.44Å; Y652-L713 HydrophobicContact CE2-CG 4.5Å; Y652-L713 WeakPolarHBondContact OH-CD2 3.45Å; Y652-M735 HydrophobicContact CE1-SD 4.3Å; Y652-M735 WeakPolarHBondContact OH-CE 3.07Å; Y652-M735 PolarHBondContact OH-SD 2.58Å
653	H	96.2	Very high	95.2	Very high	23 Å²	23	39.8 Å²	39.8	11%	0.106	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-52.1	-29.5	175.8	59.6	-81	0	0	0	113.8	V648 D651 Y655 I667 V671 M706	V648-H653 PolarHBondContact O-CE1 3.46Å; V648-H653 VanDerWaalsContact O-CE1 3.29Å; V648-H653 PolarHBondContact O-ND1 3.17Å; D651-H653 VanDerWaalsContact C-N 3.27Å; D651-H653 PolarHBondContact O-N 3.36Å; H653-Y655 VanDerWaalsContact C-N 3.3Å; H653-Y655 PolarHBondContact O-N 3.44Å; H653-I667 HydrophobicContact CB-CG2 3.7Å; H653-V671 HydrophobicContact CB-CG2 4.37Å; H653-M706 HydrophobicContact CB-SD 3.83Å
654	K	96.1	Very high	95.1	Very high	133 Å²	133	42.7 Å²	42.7	58%	0.578	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-76.8	-14.5	179.8	-60.6	177.7	178.3	150.8	0	113.7	D651 Y652	D651-K654 HydrophobicContact CB-CD 4.16Å; D651-K654 WeakPolarHBondContact O-CB 3.48Å; D651-K654 PolarHBondContact O-N 3.32Å; D651-K654 IonicContact OD1-NZ 3.92Å; D651-K654 PolarHBondContact OD1-NZ 3.28Å; Y652-K654 PolarHBondContact O-N 3.08Å; Y652-K654 VanDerWaalsContact O-N 3.08Å
655	Y	96.9	Very high	95.1	Very high	36 Å²	36	48.6 Å²	48.6	14%	0.141	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-12	-179.1	-54.7	-80.7	0	0	0	112.8	G563 F564 F567 D651 Y652 H653 K657	G563-Y655 WeakPolarHBondContact O-CE1 3.14Å; F564-Y655 HydrophobicContact CD1-CD1 4.33Å; F564-Y655 HydrophobicContact CD1-CG 4.48Å; F564-Y655 HydrophobicContact CG-CD1 4.36Å; F564-Y655 WeakPolarHBondContact CZ-O 3.5Å; F567-Y655 HydrophobicContact CB-CD1 4Å; F567-Y655 HydrophobicContact CB-CD2 3.91Å; F567-Y655 HydrophobicContact CB-CE1 3.86Å; F567-Y655 HydrophobicContact CB-CE2 3.78Å; F567-Y655 HydrophobicContact CB-CG 4.02Å; F567-Y655 AromaticContact CD2-CD2 3.52Å; F567-Y655 HydrophobicContact CD2-CD2 3.52Å; F567-Y655 AromaticContact CD2-CE2 3.62Å; F567-Y655 HydrophobicContact CD2-CE2 3.62Å; F567-Y655 HydrophobicContact CD2-CG 4.28Å; F567-Y655 HydrophobicContact CE2-CD2 4.38Å; F567-Y655 AromaticContact CG-CD2 3.95Å; F567-Y655 HydrophobicContact CG-CD2 3.95Å; F567-Y655 HydrophobicContact CG-CE2 4.11Å; F567-Y655 HydrophobicContact CG-CG 4.28Å; D651-Y655 HydrophobicContact CB-CE2 4.19Å; D651-Y655 VanDerWaalsContact O-CD2 3.27Å; D651-Y655 WeakPolarHBondContact O-CD2 3.45Å; Y652-Y655 PolarHBondContact O-N 3.43Å; H653-Y655 VanDerWaalsContact C-N 3.3Å; H653-Y655 PolarHBondContact O-N 3.44Å; Y655-K657 WeakPolarHBondContact O-CD 3.16Å; Y655-K657 VanDerWaalsContact O-CE 3.25Å; Y655-K657 WeakPolarHBondContact O-CE 3.36Å
656	F	97.3	Very high	95.1	Very high	10 Å²	10	49.7 Å²	49.7	4%	0.044	25%	0.247	C	C	.	.			trans	-54.7	131.4	178	-174.3	-127.1	0	0	0	112.7	H587 Y599 Y652 A658 L663 F664 I667 A705 M706 I709	H587-F656 HydrophobicContact CB-CE2 3.91Å; H587-F656 HydrophobicContact CB-CZ 3.77Å; Y599-F656 HydrophobicContact CE1-CE2 4.1Å; Y652-F656 PolarHBondContact O-N 3.12Å; Y652-F656 VanDerWaalsContact O-N 3.15Å; F656-A658 HydrophobicContact CD1-CB 3.99Å; F656-A658 HydrophobicContact CE1-CB 3.47Å; F656-A658 VanDerWaalsContact CE1-CB 3.47Å; F656-A658 HydrophobicContact CZ-CB 3.87Å; F656-L663 HydrophobicContact CE1-CD2 3.8Å; F656-L663 HydrophobicContact CE1-CG 4.39Å; F656-L663 HydrophobicContact CZ-CD2 4Å; F656-F664 HydrophobicContact CD1-CE1 4.08Å; F656-F664 HydrophobicContact CD1-CZ 4.11Å; F656-I667 HydrophobicContact CD1-CD1 3.87Å; F656-I667 HydrophobicContact CE1-CD1 3.79Å; F656-A705 HydrophobicContact CE2-CB 4.34Å; F656-A705 HydrophobicContact CZ-CB 3.8Å; F656-M706 HydrophobicContact CB-CE 4.29Å; F656-M706 HydrophobicContact CD1-CE 3.75Å; F656-M706 HydrophobicContact CD2-CE 3.96Å; F656-M706 HydrophobicContact CE1-CE 3.94Å; F656-M706 HydrophobicContact CE2-CE 4.14Å; F656-M706 HydrophobicContact CG-CE 3.75Å; F656-M706 HydrophobicContact CZ-CE 4.13Å; F656-I709 HydrophobicContact CB-CD1 4.34Å; F656-I709 HydrophobicContact CD2-CD1 3.81Å; F656-I709 HydrophobicContact CD2-CG2 3.91Å; F656-I709 HydrophobicContact CE2-CD1 4.46Å; F656-I709 HydrophobicContact CE2-CG2 3.8Å; F656-I709 HydrophobicContact CG-CD1 4.33Å
657	K	96.2	Very high	95.1	Very high	39 Å²	39	49.4 Å²	49.4	17%	0.17	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-110.8	101.5	-179.3	-51.4	-58.1	-177.8	-177.6	0	108.9	F585 H587 Y590 Y655	F585-K657 WeakPolarHBondContact O-CA 3.48Å; F585-K657 VanDerWaalsContact O-CB 3.3Å; F585-K657 WeakPolarHBondContact O-CB 3.43Å; F585-K657 PolarHBondContact O-N 3.16Å; H587-K657 WeakPolarHBondContact CB-O 3.33Å; H587-K657 PolarHBondContact N-O 3.15Å; Y590-K657 VanDerWaalsContact CB-O 3.31Å; Y590-K657 WeakPolarHBondContact CB-O 3.49Å; Y590-K657 HydrophobicContact CD1-CB 3.63Å; Y590-K657 HydrophobicContact CD2-CB 3.82Å; Y590-K657 HydrophobicContact CE1-CB 3.73Å; Y590-K657 HydrophobicContact CE1-CG 4.2Å; Y590-K657 HydrophobicContact CE2-CB 3.92Å; Y590-K657 HydrophobicContact CG-CB 3.67Å; Y655-K657 WeakPolarHBondContact O-CD 3.16Å; Y655-K657 VanDerWaalsContact O-CE 3.25Å; Y655-K657 WeakPolarHBondContact O-CE 3.36Å
658	A	96.2	Very high	95	Very high	10 Å²	10	53.6 Å²	53.6	8%	0.083	27%	0.268	C	S	.	.			trans	-139.2	159.1	175.6	0	0	0	0	0	110.6	H587 F656 F664	H587-A658 HydrophobicContact CB-CB 3.83Å; F656-A658 HydrophobicContact CD1-CB 3.99Å; F656-A658 HydrophobicContact CE1-CB 3.47Å; F656-A658 VanDerWaalsContact CE1-CB 3.47Å; F656-A658 HydrophobicContact CZ-CB 3.87Å; A658-F664 HydrophobicContact CB-CE2 4.06Å; A658-F664 HydrophobicContact CB-CZ 4.26Å
659	V	95.1	Very high	94.9	Very high	62 Å²	62	58.7 Å²	58.7	38%	0.376	30%	0.295	S	S	.	.			trans	-121.3	89	163.1	-174.9	0	0	0	0	107.2	S589 Y590 Y592	S589-V659 WeakPolarHBondContact CB-O 3.45Å; S589-V659 VanDerWaalsContact OG-C 3.31Å; S589-V659 PolarHBondContact OG-N 3.46Å; S589-V659 PolarHBondContact OG-O 3.25Å; Y590-V659 HydrophobicContact CD2-CG2 4.01Å; Y592-V659 HydrophobicContact CD2-CG2 3.97Å; Y592-V659 HydrophobicContact CE2-CG2 3.71Å
660	S	94.6	Very high	94.9	Very high	33 Å²	33	54.7 Å²	54.7	23%	0.231	28%	0.277	C	S	.	.			trans	-163.1	105.9	170.4	174.2	0	0	0	0	108.5	E662 L663 F664	S660-E662 VanDerWaalsContact C-N 3.28Å; S660-E662 PolarHBondContact O-N 2.71Å; S660-L663 PolarHBondContact O-N 3.44Å; S660-L663 PolarHBondContact OG-N 3.33Å; S660-F664 VanDerWaalsContact O-CD2 3.31Å; S660-F664 WeakPolarHBondContact O-CD2 3.46Å; S660-F664 PolarHBondContact O-N 3.08Å
661	P	93.5	Very high	94.8	Very high	94 Å²	94	53.5 Å²	53.5	61%	0.61	28%	0.275	S	S	*	.	H	α-helix	trans	-61.5	-37.1	178.1	-24	35	0	0	0	112.6	L663 F664 H665	P661-L663 PolarHBondContact O-N 3.06Å; P661-F664 PolarHBondContact O-N 2.81Å; P661-H665 PolarHBondContact O-CD2 3.33Å; P661-H665 PolarHBondContact O-N 3.22Å
662	E	92.9	Very high	94.5	Very high	156 Å²	156	56.7 Å²	56.7	73%	0.729	29%	0.289	S	S	*	.	H	α-helix	trans	-59.8	-44.1	177.6	-63.6	171.4	178.1	0	0	111.5	S660 F664 H665 V666	S660-E662 VanDerWaalsContact C-N 3.28Å; S660-E662 PolarHBondContact O-N 2.71Å; E662-F664 PolarHBondContact O-N 2.95Å; E662-H665 PolarHBondContact O-N 2.91Å; E662-V666 PolarHBondContact O-N 3.35Å
663	L	93.6	Very high	94.1	Very high	35 Å²	35	58.4 Å²	58.4	18%	0.183	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-37.6	175.9	179.8	59.3	0	0	0	111.9	F656 S660 P661 V666 I667 P703 A705	F656-L663 HydrophobicContact CE1-CD2 3.8Å; F656-L663 HydrophobicContact CE1-CG 4.39Å; F656-L663 HydrophobicContact CZ-CD2 4Å; S660-L663 PolarHBondContact O-N 3.44Å; S660-L663 PolarHBondContact OG-N 3.33Å; P661-L663 PolarHBondContact O-N 3.06Å; L663-V666 PolarHBondContact O-N 3.44Å; L663-I667 HydrophobicContact CD1-CD1 4.2Å; L663-I667 HydrophobicContact CD1-CG1 4.45Å; L663-I667 HydrophobicContact CG-CD1 3.92Å; L663-I667 WeakPolarHBondContact O-CD1 3.36Å; L663-I667 WeakPolarHBondContact O-CG1 3.27Å; L663-I667 PolarHBondContact O-N 2.87Å; L663-P703 HydrophobicContact CD1-CB 4.46Å; L663-A705 HydrophobicContact CD1-CB 4.46Å; L663-A705 HydrophobicContact CD2-CB 4.36Å
664	F	95.1	Very high	93.6	Very high	63 Å²	63	58 Å²	58	28%	0.276	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-38.4	175	-82	-68.3	0	0	0	112.4	F656 A658 S660 P661 E662 V666 I667 D668	F656-F664 HydrophobicContact CD1-CE1 4.08Å; F656-F664 HydrophobicContact CD1-CZ 4.11Å; A658-F664 HydrophobicContact CB-CE2 4.06Å; A658-F664 HydrophobicContact CB-CZ 4.26Å; S660-F664 VanDerWaalsContact O-CD2 3.31Å; S660-F664 WeakPolarHBondContact O-CD2 3.46Å; S660-F664 PolarHBondContact O-N 3.08Å; P661-F664 PolarHBondContact O-N 2.81Å; E662-F664 PolarHBondContact O-N 2.95Å; F664-V666 PolarHBondContact O-N 3.27Å; F664-I667 HydrophobicContact CD1-CD1 4.44Å; F664-I667 PolarHBondContact O-N 2.81Å; F664-D668 WeakPolarHBondContact O-CB 3.21Å; F664-D668 PolarHBondContact O-N 3.09Å
665	H	93.7	Very high	93.1	Very high	124 Å²	124	55.9 Å²	55.9	57%	0.574	29%	0.289	S	S	*	.	H	α-helix	trans	-59.6	-46.9	173.2	-74.5	-59.8	0	0	0	112.4	P661 E662 I667 D668 D669	P661-H665 PolarHBondContact O-CD2 3.33Å; P661-H665 PolarHBondContact O-N 3.22Å; E662-H665 PolarHBondContact O-N 2.91Å; H665-I667 VanDerWaalsContact C-N 3.27Å; H665-I667 PolarHBondContact O-N 3.38Å; H665-D668 PolarHBondContact O-N 3.37Å; H665-D669 PolarHBondContact O-N 2.99Å
666	V	93.6	Very high	92.5	Very high	41 Å²	41	58.2 Å²	58.2	25%	0.248	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-32.8	176.3	179.7	0	0	0	0	111.9	E662 L663 F664 F670 E701 P703	E662-V666 PolarHBondContact O-N 3.35Å; L663-V666 PolarHBondContact O-N 3.44Å; F664-V666 PolarHBondContact O-N 3.27Å; V666-F670 VanDerWaalsContact O-CB 3.28Å; V666-F670 WeakPolarHBondContact O-CB 3.32Å; V666-F670 PolarHBondContact O-N 3.14Å; V666-E701 HydrophobicContact CG1-CB 4.16Å; V666-E701 HydrophobicContact CG1-CG 4.05Å; V666-P703 HydrophobicContact CG1-CB 4.1Å
667	I	94.9	Very high	91.6	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-67.4	-48.4	172.9	-69.9	163	0	0	0	111	H653 F656 L663 F664 H665 F670 V671 P703 M706	H653-I667 HydrophobicContact CB-CG2 3.7Å; F656-I667 HydrophobicContact CD1-CD1 3.87Å; F656-I667 HydrophobicContact CE1-CD1 3.79Å; L663-I667 HydrophobicContact CD1-CD1 4.2Å; L663-I667 HydrophobicContact CD1-CG1 4.45Å; L663-I667 HydrophobicContact CG-CD1 3.92Å; L663-I667 WeakPolarHBondContact O-CD1 3.36Å; L663-I667 WeakPolarHBondContact O-CG1 3.27Å; L663-I667 PolarHBondContact O-N 2.87Å; F664-I667 HydrophobicContact CD1-CD1 4.44Å; F664-I667 PolarHBondContact O-N 2.81Å; H665-I667 VanDerWaalsContact C-N 3.27Å; H665-I667 PolarHBondContact O-N 3.38Å; I667-F670 PolarHBondContact O-N 3Å; I667-V671 HydrophobicContact CG2-CG2 4.11Å; I667-V671 WeakPolarHBondContact O-CB 3.46Å; I667-V671 WeakPolarHBondContact O-CG2 3.28Å; I667-V671 PolarHBondContact O-N 2.82Å; I667-P703 HydrophobicContact CG1-CB 3.67Å; I667-P703 HydrophobicContact CG1-CG 4Å; I667-M706 HydrophobicContact CD1-CE 3.62Å; I667-M706 HydrophobicContact CD1-SD 4.22Å; I667-M706 HydrophobicContact CG1-CE 4.19Å; I667-M706 HydrophobicContact CG1-CG 4.12Å; I667-M706 HydrophobicContact CG1-SD 4.23Å; I667-M706 HydrophobicContact CG2-SD 4.19Å
668	D	94.3	Very high	90.5	Very high	89 Å²	89	62 Å²	62	48%	0.476	32%	0.321	S	S	.	.	H	α-helix	trans	-64.8	-42.6	-177.1	-71.6	-24.2	0	0	0	111.9	F664 H665 F670 V671 Q672	F664-D668 WeakPolarHBondContact O-CB 3.21Å; F664-D668 PolarHBondContact O-N 3.09Å; H665-D668 PolarHBondContact O-N 3.37Å; D668-F670 PolarHBondContact O-N 2.99Å; D668-V671 PolarHBondContact O-N 3.27Å; D668-Q672 PolarHBondContact O-N 2.86Å
669	D	91.4	Very high	89.2	Confident	116 Å²	116	68.5 Å²	68.5	62%	0.62	35%	0.35	S	S	*	.	H	α-helix	trans	-61	-44.1	174.5	-73.6	-19.7	0	0	0	111.5	H665 Q672 F673	H665-D669 PolarHBondContact O-N 2.99Å; D669-Q672 PolarHBondContact O-N 3.5Å; D669-F673 PolarHBondContact O-N 3.02Å
670	F	92.6	Very high	87.4	Confident	7 Å²	7	71 Å²	71	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-69.1	-33.7	177	-178.1	-109.4	0	0	0	112.7	A644 V648 V666 I667 D668 Q674 I700 V702 P703	A644-F670 HydrophobicContact CB-CE1 4.01Å; A644-F670 HydrophobicContact CB-CZ 4.32Å; V648-F670 HydrophobicContact CG2-CD1 3.76Å; V648-F670 HydrophobicContact CG2-CE1 3.85Å; V666-F670 VanDerWaalsContact O-CB 3.28Å; V666-F670 WeakPolarHBondContact O-CB 3.32Å; V666-F670 PolarHBondContact O-N 3.14Å; I667-F670 PolarHBondContact O-N 3Å; D668-F670 PolarHBondContact O-N 2.99Å; F670-Q674 HydrophobicContact CD1-CG 4.46Å; F670-Q674 HydrophobicContact CD2-CG 4.41Å; F670-Q674 HydrophobicContact CE1-CG 4.12Å; F670-Q674 HydrophobicContact CE2-CG 4.06Å; F670-Q674 HydrophobicContact CZ-CG 3.9Å; F670-Q674 VanDerWaalsContact O-CB 3.25Å; F670-Q674 WeakPolarHBondContact O-CB 3.38Å; F670-Q674 VanDerWaalsContact O-CG 3.24Å; F670-Q674 WeakPolarHBondContact O-CG 3.39Å; F670-Q674 PolarHBondContact O-N 2.84Å; F670-I700 HydrophobicContact CD2-CG2 4.14Å; F670-V702 HydrophobicContact CE2-CG1 4.41Å; F670-V702 HydrophobicContact CE2-CG2 4.17Å; F670-V702 HydrophobicContact CZ-CG1 4.31Å; F670-P703 HydrophobicContact CB-CG 4.05Å; F670-P703 HydrophobicContact CD1-CG 3.73Å; F670-P703 HydrophobicContact CE1-CG 4.48Å; F670-P703 HydrophobicContact CG-CG 4.05Å
671	V	93.3	Very high	85.5	Confident	19 Å²	19	74.1 Å²	74.1	12%	0.115	37%	0.37	C	S	.	.	H	α-helix	trans	-64.1	-47.7	172.7	168.5	0	0	0	0	110.5	V648 H653 I667 D668 Q674 L675	V648-V671 HydrophobicContact CB-CG2 4.44Å; V648-V671 HydrophobicContact CG1-CB 4.3Å; V648-V671 HydrophobicContact CG1-CG1 4.46Å; V648-V671 HydrophobicContact CG1-CG2 3.88Å; V648-V671 HydrophobicContact CG2-CG2 3.8Å; H653-V671 HydrophobicContact CB-CG2 4.37Å; I667-V671 HydrophobicContact CG2-CG2 4.11Å; I667-V671 WeakPolarHBondContact O-CB 3.46Å; I667-V671 WeakPolarHBondContact O-CG2 3.28Å; I667-V671 PolarHBondContact O-N 2.82Å; D668-V671 PolarHBondContact O-N 3.27Å; V671-Q674 PolarHBondContact O-N 2.93Å; V671-L675 HydrophobicContact CG1-CD1 4.25Å; V671-L675 WeakPolarHBondContact O-CG 3.37Å; V671-L675 PolarHBondContact O-N 2.69Å
672	Q	90.6	Very high	83.4	Confident	100 Å²	100	73 Å²	73	47%	0.467	38%	0.375	S	S	.	.	H	α-helix	trans	-60.6	-50.3	179.3	-179	58.5	30.3	0	0	111.4	D668 D669 Q674 L675 E676	D668-Q672 PolarHBondContact O-N 2.86Å; D669-Q672 PolarHBondContact O-N 3.5Å; Q672-Q674 VanDerWaalsContact C-N 3.29Å; Q672-Q674 PolarHBondContact O-N 2.97Å; Q672-L675 PolarHBondContact O-N 3.1Å; Q672-L675 VanDerWaalsContact O-N 3.12Å; Q672-E676 PolarHBondContact NE2-OE1 3.35Å; Q672-E676 PolarHBondContact O-N 2.99Å; Q672-E676 VanDerWaalsContact O-N 3.11Å
673	F	88.4	Confident	80.9	Confident	35 Å²	35	72.8 Å²	72.8	15%	0.154	38%	0.376	C	S	.	.	H	α-helix	trans	-56.2	-42.6	174.9	170.3	-112.1	0	0	0	112.7	D669 L675 E676 K677 E697 I700	D669-F673 PolarHBondContact O-N 3.02Å; F673-L675 VanDerWaalsContact C-N 3.33Å; F673-L675 PolarHBondContact O-N 3.03Å; F673-E676 PolarHBondContact O-N 3.32Å; F673-K677 HydrophobicContact CE1-CD 3.84Å; F673-K677 HydrophobicContact CE2-CD 4.38Å; F673-K677 HydrophobicContact CZ-CD 3.66Å; F673-K677 WeakPolarHBondContact O-CB 3.43Å; F673-K677 PolarHBondContact O-N 2.97Å; F673-E697 HydrophobicContact CZ-CB 4.21Å; F673-E697 HydrophobicContact CZ-CG 3.88Å; F673-I700 HydrophobicContact CB-CD1 3.88Å; F673-I700 HydrophobicContact CD1-CD1 3.82Å; F673-I700 HydrophobicContact CD1-CG2 4.45Å; F673-I700 HydrophobicContact CD2-CD1 3.37Å; F673-I700 HydrophobicContact CE1-CD1 4.17Å; F673-I700 HydrophobicContact CE2-CD1 3.76Å; F673-I700 HydrophobicContact CG-CD1 3.4Å; F673-I700 HydrophobicContact CZ-CD1 4.13Å
674	Q	86.6	Confident	78.5	Confident	15 Å²	15	79.3 Å²	79.3	7%	0.07	41%	0.411	C	S	.	.	H	α-helix	trans	-69.3	-27.7	179.4	-80.3	-74.6	112.1	0	0	113.2	V648 F670 V671 Q672 N678	V648-Q674 HydrophobicContact CG1-CB 3.92Å; V648-Q674 HydrophobicContact CG1-CG 4.45Å; F670-Q674 HydrophobicContact CD1-CG 4.46Å; F670-Q674 HydrophobicContact CD2-CG 4.41Å; F670-Q674 HydrophobicContact CE1-CG 4.12Å; F670-Q674 HydrophobicContact CE2-CG 4.06Å; F670-Q674 HydrophobicContact CZ-CG 3.9Å; F670-Q674 VanDerWaalsContact O-CB 3.25Å; F670-Q674 WeakPolarHBondContact O-CB 3.38Å; F670-Q674 VanDerWaalsContact O-CG 3.24Å; F670-Q674 WeakPolarHBondContact O-CG 3.39Å; F670-Q674 PolarHBondContact O-N 2.84Å; V671-Q674 PolarHBondContact O-N 2.93Å; Q672-Q674 VanDerWaalsContact C-N 3.29Å; Q672-Q674 PolarHBondContact O-N 2.97Å; Q674-N678 WeakPolarHBondContact O-CB 3.43Å; Q674-N678 PolarHBondContact O-N 2.98Å; Q674-N678 PolarHBondContact O-ND2 3.03Å
675	L	84.4	Confident	76.1	Confident	89 Å²	89	78.2 Å²	78.2	47%	0.466	41%	0.411	S	S	.	.	H	α-helix	trans	-68.8	-54.9	170.6	-69.4	169.2	0	0	0	110.3	V671 Q672 F673 K677 N678 E679	V671-L675 HydrophobicContact CG1-CD1 4.25Å; V671-L675 WeakPolarHBondContact O-CG 3.37Å; V671-L675 PolarHBondContact O-N 2.69Å; Q672-L675 PolarHBondContact O-N 3.1Å; Q672-L675 VanDerWaalsContact O-N 3.12Å; F673-L675 VanDerWaalsContact C-N 3.33Å; F673-L675 PolarHBondContact O-N 3.03Å; L675-K677 VanDerWaalsContact C-N 3.29Å; L675-K677 PolarHBondContact O-N 3.29Å; L675-N678 PolarHBondContact O-N 3.22Å; L675-E679 PolarHBondContact O-N 3.02Å
676	E	84.3	Confident	73.8	Confident	85 Å²	85	81.4 Å²	81.4	40%	0.397	43%	0.426	S	S	.	.	H	α-helix	trans	-54.9	-42.8	179.4	-67.4	173.6	-169.8	0	0	112.5	Q672 F673 N678 E679 M680	Q672-E676 PolarHBondContact NE2-OE1 3.35Å; Q672-E676 PolarHBondContact O-N 2.99Å; Q672-E676 VanDerWaalsContact O-N 3.11Å; F673-E676 PolarHBondContact O-N 3.32Å; E676-N678 VanDerWaalsContact C-N 3.34Å; E676-N678 PolarHBondContact O-N 3.21Å; E676-E679 PolarHBondContact O-N 3.18Å; E676-M680 HydrophobicContact CB-CE 4.24Å; E676-M680 WeakPolarHBondContact O-CG 3.29Å; E676-M680 PolarHBondContact O-N 3.25Å
677	K	78.8	Confident	71.4	Confident	55 Å²	55	88 Å²	88	24%	0.239	46%	0.459	C	S	.	.	H	α-helix	trans	-68	-28.6	177.7	178	170.9	167.3	-177.8	0	113.9	F673 L675 Q681 E697	F673-K677 HydrophobicContact CE1-CD 3.84Å; F673-K677 HydrophobicContact CE2-CD 4.38Å; F673-K677 HydrophobicContact CZ-CD 3.66Å; F673-K677 WeakPolarHBondContact O-CB 3.43Å; F673-K677 PolarHBondContact O-N 2.97Å; L675-K677 VanDerWaalsContact C-N 3.29Å; L675-K677 PolarHBondContact O-N 3.29Å; K677-Q681 PolarHBondContact O-NE2 3.17Å; K677-E697 WeakPolarHBondContact CE-OE1 3.3Å; K677-E697 IonicContact NZ-OE1 2.75Å; K677-E697 PolarHBondContact NZ-OE1 3.17Å
678	N	72.2	Confident	69	Low	74 Å²	74	98.2 Å²	98.2	40%	0.396	50%	0.498	S	S	.	.	H	α-helix	trans	-80	-36.1	173.5	-78.9	-55.1	0	0	0	111.4	Q674 L675 E676 Q681	Q674-N678 WeakPolarHBondContact O-CB 3.43Å; Q674-N678 PolarHBondContact O-N 2.98Å; Q674-N678 PolarHBondContact O-ND2 3.03Å; L675-N678 PolarHBondContact O-N 3.22Å; E676-N678 VanDerWaalsContact C-N 3.34Å; E676-N678 PolarHBondContact O-N 3.21Å; N678-Q681 PolarHBondContact O-N 3.31Å
679	E	69.3	Low	66.9	Low	146 Å²	146	100 Å²	100	68%	0.682	50%	0.498	S	S	*	.	H	α-helix	trans	-65.6	-45.5	175	-70.2	-179.6	179.7	0	0	111.9	L675 E676 Q681 G682	L675-E679 PolarHBondContact O-N 3.02Å; E676-E679 PolarHBondContact O-N 3.18Å; E679-Q681 VanDerWaalsContact C-N 3.29Å; E679-Q681 PolarHBondContact O-N 2.95Å; E679-G682 PolarHBondContact O-N 3.06Å
680	M	57.1	Low	65	Low	115 Å²	115	96.7 Å²	96.7	57%	0.567	48%	0.484	S	S	*	.	H	α-helix	trans	-59.6	-36.7	176.9	-77.2	-172.3	-87.2	0	0	113.2	E676 G682 M683 S685	E676-M680 HydrophobicContact CB-CE 4.24Å; E676-M680 WeakPolarHBondContact O-CG 3.29Å; E676-M680 PolarHBondContact O-N 3.25Å; M680-G682 PolarHBondContact O-N 2.91Å; M680-G682 VanDerWaalsContact O-N 3.12Å; M680-M683 PolarHBondContact O-N 2.89Å; M680-S685 WeakPolarHBondContact O-CB 3.48Å; M680-S685 PolarHBondContact O-OG 2.9Å
681	Q	54.3	Low	63	Low	97 Å²	97	102.4 Å²	102.4	45%	0.453	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-11.2	176.1	-84.8	172.8	93.3	0	0	113.9	K677 N678 E679	K677-Q681 PolarHBondContact O-NE2 3.17Å; N678-Q681 PolarHBondContact O-N 3.31Å; E679-Q681 VanDerWaalsContact C-N 3.29Å; E679-Q681 PolarHBondContact O-N 2.95Å
682	G	50	Low	60.8	Low	70 Å²	70	108.1 Å²	108.1	72%	0.722	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-7	175.3	0	0	0	0	0	115.4	E679 M680	E679-G682 PolarHBondContact O-N 3.06Å; M680-G682 PolarHBondContact O-N 2.91Å; M680-G682 VanDerWaalsContact O-N 3.12Å
683	M	41.3	Very low	59	Low	153 Å²	153	105.9 Å²	105.9	75%	0.754	53%	0.527	S	S	*	.	S	Bend	trans	-139.9	64.1	-166.3	-162.9	170.3	70.8	0	0	114	M680 S685	M680-M683 PolarHBondContact O-N 2.89Å; M683-S685 VanDerWaalsContact C-N 3.25Å; M683-S685 PolarHBondContact O-N 2.84Å
684	D	41.9	Very low	57.5	Low	171 Å²	171	107.1 Å²	107.1	91%	0.914	53%	0.534	S	S	*	.			trans	49.7	40.2	163.3	-134.9	22.8	0	0	0	114.5
685	S	45.9	Very low	55.9	Low	41 Å²	41	111.4 Å²	111.4	29%	0.287	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-92.5	3.4	-157.8	70.1	0	0	0	0	115.8	M680 M683 L687 R688	M680-S685 WeakPolarHBondContact O-CB 3.48Å; M680-S685 PolarHBondContact O-OG 2.9Å; M683-S685 VanDerWaalsContact C-N 3.25Å; M683-S685 PolarHBondContact O-N 2.84Å; S685-L687 PolarHBondContact O-N 3.01Å; S685-R688 PolarHBondContact O-N 3.5Å; S685-R688 VanDerWaalsContact O-N 3.15Å
686	E	45.5	Very low	54.4	Low	191 Å²	191	112.2 Å²	112.2	89%	0.893	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-68.4	-24.6	-174.1	-166.3	152.9	-141.6	0	0	112.6	R688	E686-R688 VanDerWaalsContact C-N 3.32Å; E686-R688 PolarHBondContact O-N 3.26Å
687	L	42.5	Very low	53.3	Low	178 Å²	178	111.2 Å²	111.2	93%	0.932	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-86.1	6.8	175.3	-149	93.1	0	0	0	114.2	S685	S685-L687 PolarHBondContact O-N 3.01Å
688	R	44.4	Very low	52.3	Low	217 Å²	217	111.3 Å²	111.3	82%	0.819	55%	0.55	S	S	*	.			trans	-132.7	9.3	-162	-134.2	177	-171.7	160.6	2.7	117.2	S685 E686	S685-R688 PolarHBondContact O-N 3.5Å; S685-R688 VanDerWaalsContact O-N 3.15Å; E686-R688 VanDerWaalsContact C-N 3.32Å; E686-R688 PolarHBondContact O-N 3.26Å
689	R	50.5	Low	51.9	Low	125 Å²	125	113.3 Å²	113.3	47%	0.472	56%	0.561	S	S	.	*			trans	-75.5	126.1	168.9	-63.7	-160.2	68	136.3	-0.8	110.4	D693 E697	R689-D693 PolarHBondContact NH2-O 2.92Å; R689-E697 IonicContact CZ-OE2 2.64Å; R689-E697 IonicContact NH1-OE2 3.2Å; R689-E697 PolarHBondContact NH1-OE2 3.21Å; R689-E697 IonicContact NH2-OE2 2.63Å; R689-E697 PolarHBondContact NH2-OE2 3.5Å
690	S	50.5	Low	52.2	Low	48 Å²	48	108.8 Å²	108.8	34%	0.336	54%	0.541	S	S	.	.			trans	-81.9	164.1	167.2	74.2	0	0	0	0	110.8	E692 D693 E694	S690-E692 PolarHBondContact O-N 3.06Å; S690-E692 PolarHBondContact OG-N 3.29Å; S690-D693 WeakPolarHBondContact CB-OD2 3.31Å; S690-D693 PolarHBondContact N-OD2 2.91Å; S690-D693 PolarHBondContact O-N 3.06Å; S690-D693 PolarHBondContact OG-N 2.98Å; S690-D693 PolarHBondContact OG-OD2 2.85Å; S690-E694 PolarHBondContact O-N 3.18Å
691	E	50.6	Low	53.3	Low	127 Å²	127	110 Å²	110	59%	0.593	55%	0.545	S	S	*	.	H	α-helix	trans	-63.2	-30.6	173.6	-59.9	-156.1	103.1	0	0	111.7	D693 E694 E695 R808	E691-D693 PolarHBondContact O-N 2.64Å; E691-E694 PolarHBondContact O-N 2.84Å; E691-E695 PolarHBondContact O-N 3.46Å; E691-E695 VanDerWaalsContact O-N 3.15Å; E691-R808 IonicContact OE1-CZ 3.65Å; E691-R808 IonicContact OE1-NH1 3.04Å; E691-R808 PolarHBondContact OE1-NH1 3.26Å; E691-R808 IonicContact OE1-NH2 2.83Å
692	E	47.7	Very low	54.9	Low	139 Å²	139	106.7 Å²	106.7	65%	0.65	53%	0.532	S	S	*	.	H	α-helix	trans	-63.1	-29.2	173.5	-55.8	178.3	-169.5	0	0	112.2	S690 K696	S690-E692 PolarHBondContact O-N 3.06Å; S690-E692 PolarHBondContact OG-N 3.29Å; E692-K696 WeakPolarHBondContact O-CD 3.3Å; E692-K696 VanDerWaalsContact O-CE 3.25Å; E692-K696 WeakPolarHBondContact O-CE 3.33Å; E692-K696 WeakPolarHBondContact O-CG 3.34Å; E692-K696 PolarHBondContact O-N 2.66Å; E692-K696 VanDerWaalsContact O-N 3.12Å
693	D	53.3	Low	56.9	Low	53 Å²	53	103.6 Å²	103.6	28%	0.283	50%	0.498	S	S	.	.	H	α-helix	trans	-83.1	-23	178.3	-51.6	-46.1	0	0	0	112.4	R689 S690 E691 K696	R689-D693 PolarHBondContact NH2-O 2.92Å; S690-D693 WeakPolarHBondContact CB-OD2 3.31Å; S690-D693 PolarHBondContact N-OD2 2.91Å; S690-D693 PolarHBondContact O-N 3.06Å; S690-D693 PolarHBondContact OG-N 2.98Å; S690-D693 PolarHBondContact OG-OD2 2.85Å; E691-D693 PolarHBondContact O-N 2.64Å; D693-K696 IonicContact OD1-NZ 2.68Å; D693-K696 PolarHBondContact OD1-NZ 3.15Å
694	E	56.1	Low	59.3	Low	61 Å²	61	103.4 Å²	103.4	29%	0.285	49%	0.493	S	S	.	.	H	α-helix	trans	-70.4	-41.5	166.2	-78.2	-168.8	-158.2	0	0	110.9	S690 E691 E697 E698 R808	S690-E694 PolarHBondContact O-N 3.18Å; E691-E694 PolarHBondContact O-N 2.84Å; E694-E697 PolarHBondContact O-N 2.87Å; E694-E698 PolarHBondContact O-N 3.43Å; E694-R808 IonicContact OE1-CZ 3.15Å; E694-R808 IonicContact OE1-NE 2.87Å; E694-R808 IonicContact OE1-NH2 3.72Å; E694-R808 IonicContact OE2-CZ 2.66Å; E694-R808 IonicContact OE2-NE 3.29Å; E694-R808 IonicContact OE2-NH2 3.7Å; E694-R808 PolarHBondContact OE2-NH2 3.39Å
695	E	53.2	Low	61.9	Low	104 Å²	104	95.5 Å²	95.5	49%	0.486	45%	0.452	S	S	.	.	H	α-helix	trans	-71.7	-37.1	-177.6	-63.8	-166.2	155.3	0	0	112.4	E691 E697 E698 D699 R805	E691-E695 PolarHBondContact O-N 3.46Å; E691-E695 VanDerWaalsContact O-N 3.15Å; E695-E697 VanDerWaalsContact C-N 3.27Å; E695-E697 PolarHBondContact O-N 2.85Å; E695-E698 PolarHBondContact O-N 3.15Å; E695-E698 VanDerWaalsContact O-N 3.17Å; E695-D699 PolarHBondContact O-N 3Å; E695-R805 IonicContact OE1-NH2 3.65Å; E695-R805 PolarHBondContact OE1-NH2 3.07Å
696	K	54.2	Low	64.3	Low	107 Å²	107	93.6 Å²	93.6	47%	0.465	44%	0.439	S	S	.	.	H	α-helix	trans	-57.1	-37	169.6	-70.4	162.1	-150.3	159.5	0	113	E692 D693 E698 I700	E692-K696 WeakPolarHBondContact O-CD 3.3Å; E692-K696 VanDerWaalsContact O-CE 3.25Å; E692-K696 WeakPolarHBondContact O-CE 3.33Å; E692-K696 WeakPolarHBondContact O-CG 3.34Å; E692-K696 PolarHBondContact O-N 2.66Å; E692-K696 VanDerWaalsContact O-N 3.12Å; D693-K696 IonicContact OD1-NZ 2.68Å; D693-K696 PolarHBondContact OD1-NZ 3.15Å; K696-E698 VanDerWaalsContact C-N 3.3Å; K696-E698 PolarHBondContact O-N 2.94Å; K696-I700 WeakPolarHBondContact O-CG1 3.45Å
697	E	59.2	Low	66.8	Low	63 Å²	63	84.5 Å²	84.5	29%	0.294	40%	0.396	S	S	.	.	H	α-helix	trans	-75	-15.3	-179.1	-179.3	159.7	-177.1	0	0	113.4	F673 K677 R689 E694 E695	F673-E697 HydrophobicContact CZ-CB 4.21Å; F673-E697 HydrophobicContact CZ-CG 3.88Å; K677-E697 WeakPolarHBondContact CE-OE1 3.3Å; K677-E697 IonicContact NZ-OE1 2.75Å; K677-E697 PolarHBondContact NZ-OE1 3.17Å; R689-E697 IonicContact CZ-OE2 2.64Å; R689-E697 IonicContact NH1-OE2 3.2Å; R689-E697 PolarHBondContact NH1-OE2 3.21Å; R689-E697 IonicContact NH2-OE2 2.63Å; R689-E697 PolarHBondContact NH2-OE2 3.5Å; E694-E697 PolarHBondContact O-N 2.87Å; E695-E697 VanDerWaalsContact C-N 3.27Å; E695-E697 PolarHBondContact O-N 2.85Å
698	E	58.6	Low	69.4	Low	57 Å²	57	77 Å²	77	27%	0.266	36%	0.357	S	S	.	.	H	α-helix	trans	-92.1	-28.1	175.2	-70.7	-168.5	-122.9	0	0	114.3	E694 E695 K696 R793 R804	E694-E698 PolarHBondContact O-N 3.43Å; E695-E698 PolarHBondContact O-N 3.15Å; E695-E698 VanDerWaalsContact O-N 3.17Å; K696-E698 VanDerWaalsContact C-N 3.3Å; K696-E698 PolarHBondContact O-N 2.94Å; E698-R793 PolarHBondContact O-NH1 3.23Å; E698-R804 IonicContact OE1-CZ 3.68Å; E698-R804 IonicContact OE1-NH1 2.84Å; E698-R804 PolarHBondContact OE1-NH1 3.19Å; E698-R804 IonicContact OE1-NH2 3.63Å; E698-R804 PolarHBondContact OE1-NH2 3.02Å; E698-R804 IonicContact OE2-CZ 3.62Å; E698-R804 IonicContact OE2-NH2 3.9Å; E698-R804 PolarHBondContact OE2-NH2 3.32Å
699	D	64.8	Low	72	Confident	117 Å²	117	66.7 Å²	66.7	63%	0.626	32%	0.318	S	S	*	.	H	α-helix	trans	-87.4	-13.5	-177.8	-87.4	-23.2	0	0	0	113.9	E695 E701 K775	E695-D699 PolarHBondContact O-N 3Å; D699-E701 PolarHBondContact O-N 3.36Å; D699-K775 IonicContact OD1-NZ 2.75Å
700	I	75.1	Confident	74.3	Confident	51 Å²	51	60.8 Å²	60.8	26%	0.262	30%	0.296	S	S	.	.	S	Bend	trans	-66.3	128.6	174.2	-70.8	170.1	0	0	0	111	F670 F673 K696	F670-I700 HydrophobicContact CD2-CG2 4.14Å; F673-I700 HydrophobicContact CB-CD1 3.88Å; F673-I700 HydrophobicContact CD1-CD1 3.82Å; F673-I700 HydrophobicContact CD1-CG2 4.45Å; F673-I700 HydrophobicContact CD2-CD1 3.37Å; F673-I700 HydrophobicContact CE1-CD1 4.17Å; F673-I700 HydrophobicContact CE2-CD1 3.76Å; F673-I700 HydrophobicContact CG-CD1 3.4Å; F673-I700 HydrophobicContact CZ-CD1 4.13Å; K696-I700 WeakPolarHBondContact O-CG1 3.45Å
701	E	80.3	Confident	76.5	Confident	139 Å²	139	59.3 Å²	59.3	65%	0.65	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-77.7	137	174.3	-174.9	155.7	-157.6	0	0	111.1	V666 D699	V666-E701 HydrophobicContact CG1-CB 4.16Å; V666-E701 HydrophobicContact CG1-CG 4.05Å; D699-E701 PolarHBondContact O-N 3.36Å
702	V	87.3	Confident	78.8	Confident	29 Å²	29	53.2 Å²	53.2	18%	0.176	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-98.8	117	179.8	179.2	0	0	0	0	108.1	T641 A644 F670 K704	T641-V702 HydrophobicContact CG2-CG1 4.25Å; T641-V702 HydrophobicContact CG2-CG2 3.96Å; A644-V702 HydrophobicContact CB-CG1 3.92Å; F670-V702 HydrophobicContact CE2-CG1 4.41Å; F670-V702 HydrophobicContact CE2-CG2 4.17Å; F670-V702 HydrophobicContact CZ-CG1 4.31Å; V702-K704 PolarHBondContact O-N 2.83Å
703	P	91.4	Very high	81.2	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.026	22%	0.224	C	C	.	.			trans	-69.3	98.2	179	28.2	-34.8	0	0	0	109.7	L663 V666 I667 F670 A705 M706	L663-P703 HydrophobicContact CD1-CB 4.46Å; V666-P703 HydrophobicContact CG1-CB 4.1Å; I667-P703 HydrophobicContact CG1-CB 3.67Å; I667-P703 HydrophobicContact CG1-CG 4Å; F670-P703 HydrophobicContact CB-CG 4.05Å; F670-P703 HydrophobicContact CD1-CG 3.73Å; F670-P703 HydrophobicContact CE1-CG 4.48Å; F670-P703 HydrophobicContact CG-CG 4.05Å; P703-A705 PolarHBondContact O-N 3.03Å; P703-A705 VanDerWaalsContact O-N 3.12Å; P703-M706 HydrophobicContact CB-CG 4.11Å; P703-M706 HydrophobicContact CG-CB 4.34Å; P703-M706 HydrophobicContact CG-CG 3.72Å; P703-M706 WeakPolarHBondContact O-CB 3.4Å; P703-M706 PolarHBondContact O-N 3.35Å
704	K	92.9	Very high	83.4	Confident	149 Å²	149	44.1 Å²	44.1	65%	0.648	21%	0.211	S	C	*	.	H	α-helix	trans	-46.9	-45.9	-177.4	-66.7	-176.9	-177.4	177	0	112.7	N640 V702 M706 G707 D708	N640-K704 PolarHBondContact ND2-O 3.5Å; N640-K704 WeakPolarHBondContact OD1-CA 3.35Å; V702-K704 PolarHBondContact O-N 2.83Å; K704-M706 PolarHBondContact O-N 3.45Å; K704-G707 WeakPolarHBondContact O-CA 3.38Å; K704-G707 PolarHBondContact O-N 3.12Å; K704-D708 VanDerWaalsContact O-CG 3.32Å; K704-D708 PolarHBondContact O-N 3.02Å
705	A	95.9	Very high	85.3	Confident	6 Å²	6	41.2 Å²	41.2	5%	0.05	20%	0.197	C	C	.	.	H	α-helix	trans	-47.6	-26.4	176.8	0	0	0	0	0	115	F656 L663 P703 D708 I709	F656-A705 HydrophobicContact CE2-CB 4.34Å; F656-A705 HydrophobicContact CZ-CB 3.8Å; L663-A705 HydrophobicContact CD1-CB 4.46Å; L663-A705 HydrophobicContact CD2-CB 4.36Å; P703-A705 PolarHBondContact O-N 3.03Å; P703-A705 VanDerWaalsContact O-N 3.12Å; A705-D708 VanDerWaalsContact CA-OD2 3.3Å; A705-D708 WeakPolarHBondContact CA-OD2 3.48Å; A705-D708 PolarHBondContact N-OD2 3.48Å; A705-I709 VanDerWaalsContact O-CG1 3.31Å; A705-I709 WeakPolarHBondContact O-CG1 3.31Å; A705-I709 WeakPolarHBondContact O-CG2 3.04Å; A705-I709 PolarHBondContact O-N 3.31Å
706	M	97.3	Very high	87.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-74.4	-31.9	173.8	-63	-61.7	93.7	0	0	113.1	A644 A647 H653 F656 I667 P703 K704 I709 F710	A644-M706 HydrophobicContact CB-CB 3.75Å; A647-M706 HydrophobicContact CB-CB 4.28Å; A647-M706 WeakPolarHBondContact CB-O 3.43Å; H653-M706 HydrophobicContact CB-SD 3.83Å; F656-M706 HydrophobicContact CB-CE 4.29Å; F656-M706 HydrophobicContact CD1-CE 3.75Å; F656-M706 HydrophobicContact CD2-CE 3.96Å; F656-M706 HydrophobicContact CE1-CE 3.94Å; F656-M706 HydrophobicContact CE2-CE 4.14Å; F656-M706 HydrophobicContact CG-CE 3.75Å; F656-M706 HydrophobicContact CZ-CE 4.13Å; I667-M706 HydrophobicContact CD1-CE 3.62Å; I667-M706 HydrophobicContact CD1-SD 4.22Å; I667-M706 HydrophobicContact CG1-CE 4.19Å; I667-M706 HydrophobicContact CG1-CG 4.12Å; I667-M706 HydrophobicContact CG1-SD 4.23Å; I667-M706 HydrophobicContact CG2-SD 4.19Å; P703-M706 HydrophobicContact CB-CG 4.11Å; P703-M706 HydrophobicContact CG-CB 4.34Å; P703-M706 HydrophobicContact CG-CG 3.72Å; P703-M706 WeakPolarHBondContact O-CB 3.4Å; P703-M706 PolarHBondContact O-N 3.35Å; K704-M706 PolarHBondContact O-N 3.45Å; M706-I709 HydrophobicContact CE-CD1 3.54Å; M706-I709 HydrophobicContact CE-CG1 4.38Å; M706-I709 HydrophobicContact SD-CD1 4.09Å; M706-F710 PolarHBondContact O-N 2.79Å
707	G	96.9	Very high	89.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-72.1	-46	166.5	0	0	0	0	0	111.5	K704 I709 F710 E711	K704-G707 WeakPolarHBondContact O-CA 3.38Å; K704-G707 PolarHBondContact O-N 3.12Å; G707-I709 VanDerWaalsContact C-N 3.3Å; G707-I709 PolarHBondContact O-N 3.06Å; G707-F710 WeakPolarHBondContact O-CA 3.38Å; G707-F710 VanDerWaalsContact O-CB 3.25Å; G707-F710 WeakPolarHBondContact O-CB 3.4Å; G707-F710 PolarHBondContact O-N 2.87Å; G707-E711 PolarHBondContact O-N 3.33Å
708	D	98	Very high	91.3	Very high	22 Å²	22	28.8 Å²	28.8	12%	0.118	14%	0.14	C	C	.	.	H	α-helix	trans	-58.8	-39.4	-178.3	-40.5	-8.6	0	0	0	111.9	Y599 E603 N640 K704 A705 E711 S712	Y599-D708 HydrophobicContact CD2-CB 4.13Å; Y599-D708 HydrophobicContact CE2-CB 3.36Å; Y599-D708 PolarHBondContact OH-OD2 3.09Å; E603-D708 HydrophobicContact CG-CB 4.16Å; N640-D708 PolarHBondContact ND2-OD1 2.87Å; K704-D708 VanDerWaalsContact O-CG 3.32Å; K704-D708 PolarHBondContact O-N 3.02Å; A705-D708 VanDerWaalsContact CA-OD2 3.3Å; A705-D708 WeakPolarHBondContact CA-OD2 3.48Å; A705-D708 PolarHBondContact N-OD2 3.48Å; D708-E711 PolarHBondContact O-N 2.66Å; D708-S712 WeakPolarHBondContact O-CB 3.21Å; D708-S712 PolarHBondContact O-N 2.98Å; D708-S712 PolarHBondContact O-OG 3.49Å
709	I	98.1	Very high	93	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-75.5	-20.1	174.2	69.7	-178.7	0	0	0	114.3	A584 F585 Y599 Y652 F656 A705 M706 G707 S712 L713	A584-I709 WeakPolarHBondContact O-CG2 3.42Å; F585-I709 HydrophobicContact CD1-CD1 4.18Å; F585-I709 HydrophobicContact CE1-CD1 4.03Å; Y599-I709 HydrophobicContact CD1-CG2 3.77Å; Y599-I709 HydrophobicContact CE1-CG2 3.9Å; Y599-I709 HydrophobicContact CG-CG2 4.32Å; Y652-I709 HydrophobicContact CD2-CD1 4.4Å; Y652-I709 HydrophobicContact CD2-CG1 4.15Å; F656-I709 HydrophobicContact CB-CD1 4.34Å; F656-I709 HydrophobicContact CD2-CD1 3.81Å; F656-I709 HydrophobicContact CD2-CG2 3.91Å; F656-I709 HydrophobicContact CE2-CD1 4.46Å; F656-I709 HydrophobicContact CE2-CG2 3.8Å; F656-I709 HydrophobicContact CG-CD1 4.33Å; A705-I709 VanDerWaalsContact O-CG1 3.31Å; A705-I709 WeakPolarHBondContact O-CG1 3.31Å; A705-I709 WeakPolarHBondContact O-CG2 3.04Å; A705-I709 PolarHBondContact O-N 3.31Å; M706-I709 HydrophobicContact CE-CD1 3.54Å; M706-I709 HydrophobicContact CE-CG1 4.38Å; M706-I709 HydrophobicContact SD-CD1 4.09Å; G707-I709 VanDerWaalsContact C-N 3.3Å; G707-I709 PolarHBondContact O-N 3.06Å; I709-S712 WeakPolarHBondContact CA-OG 3.49Å; I709-L713 VanDerWaalsContact O-CB 3.31Å; I709-L713 WeakPolarHBondContact O-CB 3.49Å; I709-L713 PolarHBondContact O-N 3.3Å
710	F	98.3	Very high	94.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-73.8	-38.5	171.8	-171	-97.1	0	0	0	110.8	L610 F643 L646 A647 Y652 M706 G707 Y732 M735 M736	L610-F710 HydrophobicContact CD1-CD1 4.04Å; L610-F710 HydrophobicContact CD1-CE1 4.12Å; F643-F710 HydrophobicContact CB-CB 4.02Å; F643-F710 HydrophobicContact CB-CD1 3.6Å; F643-F710 HydrophobicContact CB-CE1 4.36Å; F643-F710 HydrophobicContact CB-CG 4.03Å; F643-F710 AromaticContact CD1-CD1 3.51Å; F643-F710 HydrophobicContact CD1-CD1 3.51Å; F643-F710 AromaticContact CD1-CE1 3.47Å; F643-F710 HydrophobicContact CD1-CE1 3.47Å; F643-F710 VanDerWaalsContact CD1-CE1 3.47Å; F643-F710 HydrophobicContact CE1-CD1 4.28Å; F643-F710 HydrophobicContact CE1-CE1 4.01Å; F643-F710 AromaticContact CG-CD1 3.64Å; F643-F710 HydrophobicContact CG-CD1 3.64Å; F643-F710 HydrophobicContact CG-CE1 4.12Å; L646-F710 HydrophobicContact CB-CD2 4.31Å; L646-F710 HydrophobicContact CB-CE2 3.74Å; L646-F710 HydrophobicContact CB-CZ 4.01Å; L646-F710 HydrophobicContact CD1-CE1 4.36Å; L646-F710 HydrophobicContact CD1-CE2 4.45Å; L646-F710 HydrophobicContact CD1-CZ 3.86Å; A647-F710 HydrophobicContact CB-CB 4.23Å; A647-F710 HydrophobicContact CB-CD2 4.24Å; Y652-F710 HydrophobicContact CE1-CD2 4.49Å; Y652-F710 AromaticContact CE2-CD2 3.97Å; Y652-F710 HydrophobicContact CE2-CD2 3.97Å; Y652-F710 AromaticContact CZ-CD2 3.82Å; M706-F710 PolarHBondContact O-N 2.79Å; G707-F710 WeakPolarHBondContact O-CA 3.38Å; G707-F710 VanDerWaalsContact O-CB 3.25Å; G707-F710 WeakPolarHBondContact O-CB 3.4Å; G707-F710 PolarHBondContact O-N 2.87Å; F710-Y732 AromaticContact CD1-CE1 3.87Å; F710-Y732 HydrophobicContact CD1-CE1 3.87Å; F710-Y732 HydrophobicContact CD2-CE1 4.25Å; F710-Y732 AromaticContact CE1-CD1 3.78Å; F710-Y732 HydrophobicContact CE1-CD1 3.78Å; F710-Y732 AromaticContact CE1-CE1 3.52Å; F710-Y732 HydrophobicContact CE1-CE1 3.52Å; F710-Y732 HydrophobicContact CE2-CD1 4.38Å; F710-Y732 AromaticContact CE2-CE1 3.93Å; F710-Y732 HydrophobicContact CE2-CE1 3.93Å; F710-Y732 HydrophobicContact CG-CE1 4.23Å; F710-Y732 AromaticContact CZ-CD1 3.67Å; F710-Y732 HydrophobicContact CZ-CD1 3.67Å; F710-Y732 AromaticContact CZ-CE1 3.55Å; F710-Y732 HydrophobicContact CZ-CE1 3.55Å; F710-Y732 WeakPolarHBondContact O-CE1 3.37Å; F710-Y732 PolarHBondContact O-OH 2.98Å; F710-M735 HydrophobicContact CE2-CE 4.22Å; F710-M735 HydrophobicContact CE2-SD 4.4Å; F710-M736 HydrophobicContact CE1-SD 4.44Å; F710-M736 HydrophobicContact CZ-CG 4.28Å
711	E	98.4	Very high	95.4	Very high	17 Å²	17	19.6 Å²	19.6	8%	0.079	10%	0.095	C	C	.	.	H	α-helix	trans	-69.8	-51.2	172.7	-72.5	157.7	152.5	0	0	110.5	G606 L610 F643 G707 D708 L713 A714 G715	G606-E711 VanDerWaalsContact CA-O 3.3Å; G606-E711 WeakPolarHBondContact CA-O 3.4Å; L610-E711 HydrophobicContact CD1-CG 4.07Å; F643-E711 HydrophobicContact CD2-CG 3.84Å; F643-E711 WeakPolarHBondContact CD2-OE1 3.31Å; F643-E711 HydrophobicContact CE2-CG 4Å; F643-E711 WeakPolarHBondContact CE2-OE1 3.41Å; G707-E711 PolarHBondContact O-N 3.33Å; D708-E711 PolarHBondContact O-N 2.66Å; E711-L713 VanDerWaalsContact C-N 3.28Å; E711-L713 PolarHBondContact O-N 2.96Å; E711-A714 WeakPolarHBondContact O-CA 3.21Å; E711-A714 VanDerWaalsContact O-CB 3.29Å; E711-A714 WeakPolarHBondContact O-CB 3.36Å; E711-A714 PolarHBondContact O-N 3.18Å; E711-G715 PolarHBondContact O-N 2.97Å
712	S	98.3	Very high	95.9	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.7	-27.8	-176.2	73.2	0	0	0	0	114.7	A584 E603 D708 I709 G715 A716	A584-S712 PolarHBondContact O-OG 3.22Å; E603-S712 VanDerWaalsContact N-CB 3.32Å; D708-S712 WeakPolarHBondContact O-CB 3.21Å; D708-S712 PolarHBondContact O-N 2.98Å; D708-S712 PolarHBondContact O-OG 3.49Å; I709-S712 WeakPolarHBondContact CA-OG 3.49Å; S712-G715 PolarHBondContact O-N 3.23Å; S712-A716 PolarHBondContact O-N 2.64Å
713	L	98.4	Very high	96.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.1	-32.1	171.6	-180	67.1	0	0	0	112.4	F567 I571 F575 L581 A584 F585 Y652 I709 E711 G715 A716 I717 Y732	F567-L713 HydrophobicContact CE1-CD1 4.36Å; F567-L713 HydrophobicContact CE1-CD2 3.58Å; F567-L713 HydrophobicContact CZ-CD2 3.54Å; I571-L713 HydrophobicContact CD1-CD2 4.34Å; F575-L713 HydrophobicContact CE2-CD1 4.09Å; F575-L713 HydrophobicContact CZ-CD1 3.63Å; L581-L713 HydrophobicContact CD1-CD1 3.92Å; A584-L713 HydrophobicContact CB-CB 4.36Å; A584-L713 HydrophobicContact CB-CD1 4.45Å; F585-L713 HydrophobicContact CE2-CD1 4.1Å; F585-L713 HydrophobicContact CE2-CD2 4.27Å; F585-L713 HydrophobicContact CZ-CD2 4.46Å; Y652-L713 HydrophobicContact CD2-CD2 4.39Å; Y652-L713 HydrophobicContact CE2-CB 4.28Å; Y652-L713 HydrophobicContact CE2-CD2 3.44Å; Y652-L713 VanDerWaalsContact CE2-CD2 3.44Å; Y652-L713 HydrophobicContact CE2-CG 4.5Å; Y652-L713 WeakPolarHBondContact OH-CD2 3.45Å; I709-L713 VanDerWaalsContact O-CB 3.31Å; I709-L713 WeakPolarHBondContact O-CB 3.49Å; I709-L713 PolarHBondContact O-N 3.3Å; E711-L713 VanDerWaalsContact C-N 3.28Å; E711-L713 PolarHBondContact O-N 2.96Å; L713-G715 VanDerWaalsContact C-N 3.34Å; L713-A716 HydrophobicContact CD1-CB 4.37Å; L713-A716 PolarHBondContact O-N 2.74Å; L713-I717 HydrophobicContact CD1-CD1 4.38Å; L713-I717 HydrophobicContact CD1-CG1 4.4Å; L713-I717 HydrophobicContact CG-CD1 4.14Å; L713-I717 WeakPolarHBondContact O-CG1 3.36Å; L713-I717 PolarHBondContact O-N 2.59Å; L713-Y732 WeakPolarHBondContact CB-OH 3.41Å
714	A	98.3	Very high	96.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.9	-42.3	171.6	0	0	0	0	0	110.3	L610 E711 A716 I717 Y718 V728 Y732	L610-A714 HydrophobicContact CD1-CB 4.19Å; L610-A714 HydrophobicContact CD2-CB 3.93Å; L610-A714 HydrophobicContact CG-CB 3.98Å; E711-A714 WeakPolarHBondContact O-CA 3.21Å; E711-A714 VanDerWaalsContact O-CB 3.29Å; E711-A714 WeakPolarHBondContact O-CB 3.36Å; E711-A714 PolarHBondContact O-N 3.18Å; A714-A716 PolarHBondContact O-N 2.73Å; A714-I717 PolarHBondContact O-N 2.97Å; A714-Y718 WeakPolarHBondContact O-CB 3.3Å; A714-Y718 PolarHBondContact O-N 3.3Å; A714-V728 HydrophobicContact CB-CG1 3.93Å; A714-Y732 HydrophobicContact CB-CE1 4.08Å; A714-Y732 HydrophobicContact CB-CE2 4.04Å; A714-Y732 PolarHBondContact N-OH 3.05Å
715	G	97.4	Very high	96.5	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.9	-44.6	170	0	0	0	0	0	112.8	E711 S712 L713 Y718 M719	E711-G715 PolarHBondContact O-N 2.97Å; S712-G715 PolarHBondContact O-N 3.23Å; L713-G715 VanDerWaalsContact C-N 3.34Å; G715-Y718 WeakPolarHBondContact O-CB 3.23Å; G715-Y718 PolarHBondContact O-N 2.69Å; G715-M719 VanDerWaalsContact O-CG 3.32Å; G715-M719 WeakPolarHBondContact O-CG 3.28Å; G715-M719 PolarHBondContact O-N 2.72Å
716	A	97.1	Very high	96.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.1	-45	177.6	0	0	0	0	0	113	F575 Y580 A584 L602 S712 L713 A714 Y718 M719 D720	F575-A716 HydrophobicContact CE1-CB 3.86Å; F575-A716 HydrophobicContact CZ-CB 4.14Å; Y580-A716 WeakPolarHBondContact O-CB 3.24Å; A584-A716 HydrophobicContact CB-CB 3.97Å; L602-A716 HydrophobicContact CD1-CB 4.11Å; S712-A716 PolarHBondContact O-N 2.64Å; L713-A716 HydrophobicContact CD1-CB 4.37Å; L713-A716 PolarHBondContact O-N 2.74Å; A714-A716 PolarHBondContact O-N 2.73Å; A716-Y718 VanDerWaalsContact C-N 3.33Å; A716-M719 PolarHBondContact O-N 3.24Å; A716-D720 WeakPolarHBondContact O-CB 3.42Å; A716-D720 PolarHBondContact O-N 3.13Å
717	I	97.7	Very high	96.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67	-36.5	178.4	-68.8	172.8	0	0	0	110.8	I571 Y573 F575 L713 A714 S721 T727 V728 V731 Y732	I571-I717 HydrophobicContact CD1-CD1 4.31Å; Y573-I717 HydrophobicContact CD1-CD1 4.2Å; Y573-I717 HydrophobicContact CD1-CG1 3.95Å; Y573-I717 HydrophobicContact CD2-CG2 4.43Å; Y573-I717 HydrophobicContact CE1-CB 4.41Å; Y573-I717 HydrophobicContact CE1-CG1 3.79Å; Y573-I717 HydrophobicContact CE1-CG2 4.26Å; Y573-I717 HydrophobicContact CE2-CG2 3.96Å; Y573-I717 HydrophobicContact CG-CD1 4.43Å; F575-I717 HydrophobicContact CE1-CG1 4.13Å; F575-I717 HydrophobicContact CE2-CG1 4.23Å; F575-I717 HydrophobicContact CZ-CD1 4.41Å; F575-I717 HydrophobicContact CZ-CG1 3.53Å; L713-I717 HydrophobicContact CD1-CD1 4.38Å; L713-I717 HydrophobicContact CD1-CG1 4.4Å; L713-I717 HydrophobicContact CG-CD1 4.14Å; L713-I717 WeakPolarHBondContact O-CG1 3.36Å; L713-I717 PolarHBondContact O-N 2.59Å; A714-I717 PolarHBondContact O-N 2.97Å; I717-S721 WeakPolarHBondContact O-CB 3.36Å; I717-S721 PolarHBondContact O-N 3.46Å; I717-S721 PolarHBondContact O-OG 3.1Å; I717-T727 HydrophobicContact CG2-CG2 4.18Å; I717-V728 HydrophobicContact CB-CG2 4.36Å; I717-V728 HydrophobicContact CG2-CG2 4Å; I717-V731 HydrophobicContact CD1-CB 4.26Å; I717-V731 HydrophobicContact CD1-CG1 3.87Å; I717-V731 HydrophobicContact CD1-CG2 4.36Å; I717-Y732 HydrophobicContact CD1-CE2 4.11Å
718	Y	97.1	Very high	96.5	Very high	13 Å²	13	16.2 Å²	16.2	5%	0.051	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-46.8	172.9	-174.6	-107.1	0	0	0	111.8	H223 T227 L605 I609 A714 G715 A716 S721 G722 M723 L725 V728	H223-Y718 AromaticContact CE1-CZ 3.73Å; H223-Y718 PolarHBondContact CE1-OH 3.38Å; H223-Y718 PolarHBondContact NE2-OH 3.37Å; T227-Y718 HydrophobicContact CG2-CE1 3.88Å; L605-Y718 HydrophobicContact CD2-CD1 4.14Å; I609-Y718 HydrophobicContact CD1-CD1 3.67Å; I609-Y718 HydrophobicContact CD1-CD2 3.9Å; I609-Y718 HydrophobicContact CD1-CE1 4.19Å; I609-Y718 HydrophobicContact CD1-CE2 4.4Å; I609-Y718 HydrophobicContact CD1-CG 3.47Å; I609-Y718 VanDerWaalsContact CD1-CG 3.47Å; A714-Y718 WeakPolarHBondContact O-CB 3.3Å; A714-Y718 PolarHBondContact O-N 3.3Å; G715-Y718 WeakPolarHBondContact O-CB 3.23Å; G715-Y718 PolarHBondContact O-N 2.69Å; A716-Y718 VanDerWaalsContact C-N 3.33Å; Y718-S721 PolarHBondContact O-OG 3.47Å; Y718-G722 PolarHBondContact O-N 3.29Å; Y718-M723 HydrophobicContact CD1-CB 4.4Å; Y718-M723 HydrophobicContact CD1-CG 4.24Å; Y718-M723 HydrophobicContact CE1-CB 3.78Å; Y718-M723 HydrophobicContact CE1-CG 3.71Å; Y718-M723 HydrophobicContact CE2-CB 3.97Å; Y718-M723 WeakPolarHBondContact CE2-O 3.35Å; Y718-M723 WeakPolarHBondContact O-CA 3.44Å; Y718-M723 PolarHBondContact O-N 2.87Å; Y718-L725 HydrophobicContact CD2-CD2 3.83Å; Y718-L725 HydrophobicContact CD2-CG 4.45Å; Y718-L725 HydrophobicContact CE2-CD2 3.49Å; Y718-L725 VanDerWaalsContact CE2-CD2 3.49Å; Y718-L725 HydrophobicContact CE2-CG 3.85Å; Y718-V728 HydrophobicContact CD2-CG2 4.25Å
719	M	95	Very high	96.5	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.025	10%	0.098	C	C	.	.	H	α-helix	trans	-68.6	-37.1	178.9	-64.7	-52.8	-59	0	0	113	F230 I542 Y580 L602 L605 G715 A716	F230-M719 HydrophobicContact CD1-CE 4.46Å; F230-M719 HydrophobicContact CD1-SD 4.16Å; F230-M719 HydrophobicContact CE1-CE 3.81Å; F230-M719 HydrophobicContact CE1-CG 4.16Å; F230-M719 HydrophobicContact CE1-SD 3.69Å; F230-M719 HydrophobicContact CZ-CG 4.46Å; I542-M719 HydrophobicContact CB-CE 4.04Å; I542-M719 HydrophobicContact CG1-CE 3.75Å; I542-M719 HydrophobicContact CG2-CE 3.56Å; Y580-M719 HydrophobicContact CD1-CB 4.28Å; Y580-M719 HydrophobicContact CD2-CB 4.38Å; Y580-M719 HydrophobicContact CE1-CB 4.02Å; Y580-M719 HydrophobicContact CE2-CB 4.1Å; Y580-M719 HydrophobicContact CG-CB 4.46Å; L602-M719 HydrophobicContact CD2-CG 4.18Å; L605-M719 HydrophobicContact CD2-CG 3.98Å; L605-M719 HydrophobicContact CD2-SD 3.76Å; G715-M719 VanDerWaalsContact O-CG 3.32Å; G715-M719 WeakPolarHBondContact O-CG 3.28Å; G715-M719 PolarHBondContact O-N 2.72Å; A716-M719 PolarHBondContact O-N 3.24Å
720	D	95	Very high	96.5	Very high	9 Å²	9	24 Å²	24	5%	0.048	13%	0.13	C	C	.	.	H	α-helix	trans	-76.1	-36.8	178.2	-167.3	82.7	0	0	0	113	Y573 F575 K576 N577 Y580 A716 G722	Y573-D720 PolarHBondContact OH-OD2 3.33Å; F575-D720 WeakPolarHBondContact CA-OD2 3.34Å; F575-D720 HydrophobicContact CD1-CB 3.77Å; F575-D720 HydrophobicContact CE1-CB 4.16Å; K576-D720 WeakPolarHBondContact CB-OD2 3.25Å; K576-D720 WeakPolarHBondContact CD-O 3.19Å; K576-D720 WeakPolarHBondContact CE-O 3.33Å; K576-D720 WeakPolarHBondContact CG-OD2 3.49Å; K576-D720 PolarHBondContact N-OD1 2.95Å; K576-D720 PolarHBondContact N-OD2 3.36Å; K576-D720 PolarHBondContact NZ-O 3.15Å; N577-D720 WeakPolarHBondContact CB-OD1 3.4Å; N577-D720 PolarHBondContact N-OD1 3.29Å; Y580-D720 HydrophobicContact CD2-CB 3.97Å; A716-D720 WeakPolarHBondContact O-CB 3.42Å; A716-D720 PolarHBondContact O-N 3.13Å; D720-G722 VanDerWaalsContact C-N 3.29Å; D720-G722 PolarHBondContact O-N 3.39Å
721	S	94.6	Very high	96.4	Very high	19 Å²	19	24.6 Å²	24.6	13%	0.133	13%	0.133	C	C	.	.	H	α-helix	trans	-63.7	-35.6	178.9	69	0	0	0	0	112.5	K576 I717 Y718 S724	K576-S721 PolarHBondContact NZ-O 2.99Å; I717-S721 WeakPolarHBondContact O-CB 3.36Å; I717-S721 PolarHBondContact O-N 3.46Å; I717-S721 PolarHBondContact O-OG 3.1Å; Y718-S721 PolarHBondContact O-OG 3.47Å; S721-S724 PolarHBondContact OG-N 2.88Å; S721-S724 VanDerWaalsContact OG-N 3.14Å; S721-S724 PolarHBondContact OG-O 2.91Å
722	G	91.4	Very high	96.4	Very high	43 Å²	43	23.8 Å²	23.8	44%	0.443	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	116.9	31.2	-174.3	0	0	0	0	0	113.3	Y718 D720	Y718-G722 PolarHBondContact O-N 3.29Å; D720-G722 VanDerWaalsContact C-N 3.29Å; D720-G722 PolarHBondContact O-N 3.39Å
723	M	92.4	Very high	96.3	Very high	45 Å²	45	27 Å²	27	22%	0.222	14%	0.142	C	C	.	.	S	Bend	trans	66.7	31.3	-169.5	-56.1	-179.1	-62	0	0	114.1	T227 L540 I542 Y718	T227-M723 HydrophobicContact CG2-SD 4.26Å; L540-M723 HydrophobicContact CB-CE 4Å; L540-M723 HydrophobicContact CB-SD 4.28Å; L540-M723 WeakPolarHBondContact O-CE 3.33Å; I542-M723 HydrophobicContact CD1-CG 4.24Å; I542-M723 HydrophobicContact CG1-CE 4.33Å; I542-M723 HydrophobicContact CG1-CG 4.04Å; I542-M723 HydrophobicContact CG1-SD 4.17Å; Y718-M723 HydrophobicContact CD1-CB 4.4Å; Y718-M723 HydrophobicContact CD1-CG 4.24Å; Y718-M723 HydrophobicContact CE1-CB 3.78Å; Y718-M723 HydrophobicContact CE1-CG 3.71Å; Y718-M723 HydrophobicContact CE2-CB 3.97Å; Y718-M723 WeakPolarHBondContact CE2-O 3.35Å; Y718-M723 WeakPolarHBondContact O-CA 3.44Å; Y718-M723 PolarHBondContact O-N 2.87Å
724	S	95.1	Very high	96.2	Very high	26 Å²	26	30.9 Å²	30.9	18%	0.182	17%	0.167	C	C	.	.			trans	-87	118.4	173.9	164.6	0	0	0	0	111.3	S721 E726 T727	S721-S724 PolarHBondContact OG-N 2.88Å; S721-S724 VanDerWaalsContact OG-N 3.14Å; S721-S724 PolarHBondContact OG-O 2.91Å; S724-E726 WeakPolarHBondContact CB-OE2 3.42Å; S724-E726 PolarHBondContact OG-N 2.76Å; S724-E726 PolarHBondContact OG-OE2 3.43Å; S724-T727 WeakPolarHBondContact CB-OG1 3.49Å; S724-T727 WeakPolarHBondContact OG-CB 3.12Å; S724-T727 PolarHBondContact OG-N 3.49Å; S724-T727 PolarHBondContact OG-OG1 3.31Å
725	L	95.4	Very high	96	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-72.8	-31.7	173.2	-70.2	179.6	0	0	0	111.9	E474 I609 Y612 L613 Y718 T727 V728 W729	E474-L725 WeakPolarHBondContact OE2-CD1 3.4Å; I609-L725 HydrophobicContact CG1-CD2 4.17Å; I609-L725 HydrophobicContact CG2-CD2 3.93Å; Y612-L725 HydrophobicContact CD1-CD1 3.73Å; Y612-L725 HydrophobicContact CE1-CD1 3.6Å; L613-L725 HydrophobicContact CD2-CB 4.26Å; Y718-L725 HydrophobicContact CD2-CD2 3.83Å; Y718-L725 HydrophobicContact CD2-CG 4.45Å; Y718-L725 HydrophobicContact CE2-CD2 3.49Å; Y718-L725 VanDerWaalsContact CE2-CD2 3.49Å; Y718-L725 HydrophobicContact CE2-CG 3.85Å; L725-T727 VanDerWaalsContact C-N 3.29Å; L725-T727 PolarHBondContact O-N 3.25Å; L725-V728 PolarHBondContact O-N 3Å; L725-W729 PolarHBondContact O-N 3.33Å
726	E	95.8	Very high	95.9	Very high	104 Å²	104	31.2 Å²	31.2	49%	0.486	17%	0.169	S	C	.	.	H	α-helix	trans	-60.9	-41.6	176.2	-50.7	70.2	-154.3	0	0	110.4	S724 W729 Q730	S724-E726 WeakPolarHBondContact CB-OE2 3.42Å; S724-E726 PolarHBondContact OG-N 2.76Å; S724-E726 PolarHBondContact OG-OE2 3.43Å; E726-W729 PolarHBondContact O-N 3.03Å; E726-Q730 WeakPolarHBondContact O-CB 3.48Å; E726-Q730 WeakPolarHBondContact O-CG 3.44Å; E726-Q730 PolarHBondContact O-N 3.46Å
727	T	97.1	Very high	95.7	Very high	33 Å²	33	36.6 Å²	36.6	20%	0.202	19%	0.189	C	C	.	.	H	α-helix	trans	-66.9	-40.2	179.3	-54.5	0	0	0	0	111.3	Y573 I717 S724 L725 V731	Y573-T727 HydrophobicContact CD2-CG2 4.36Å; Y573-T727 HydrophobicContact CE2-CG2 3.62Å; I717-T727 HydrophobicContact CG2-CG2 4.18Å; S724-T727 WeakPolarHBondContact CB-OG1 3.49Å; S724-T727 WeakPolarHBondContact OG-CB 3.12Å; S724-T727 PolarHBondContact OG-N 3.49Å; S724-T727 PolarHBondContact OG-OG1 3.31Å; L725-T727 VanDerWaalsContact C-N 3.29Å; L725-T727 PolarHBondContact O-N 3.25Å; T727-V731 PolarHBondContact O-N 2.84Å
728	V	97.9	Very high	95.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-48.1	173	179.3	0	0	0	0	110.2	I609 L613 A714 I717 Y718 L725 Q730 V731 Y732	I609-V728 HydrophobicContact CG2-CB 4.5Å; I609-V728 HydrophobicContact CG2-CG1 3.96Å; I609-V728 HydrophobicContact CG2-CG2 4.5Å; L613-V728 HydrophobicContact CD1-CB 4.09Å; L613-V728 HydrophobicContact CD1-CG1 3.84Å; A714-V728 HydrophobicContact CB-CG1 3.93Å; I717-V728 HydrophobicContact CB-CG2 4.36Å; I717-V728 HydrophobicContact CG2-CG2 4Å; Y718-V728 HydrophobicContact CD2-CG2 4.25Å; L725-V728 PolarHBondContact O-N 3Å; V728-Q730 PolarHBondContact O-N 2.81Å; V728-V731 PolarHBondContact O-N 2.94Å; V728-V731 VanDerWaalsContact O-N 3.14Å; V728-Y732 HydrophobicContact CG1-CD2 4.1Å; V728-Y732 WeakPolarHBondContact O-CD2 3.48Å; V728-Y732 PolarHBondContact O-N 3.42Å
729	W	97.8	Very high	95	Very high	44 Å²	44	40.5 Å²	40.5	17%	0.167	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-34.5	-177.5	-162.5	-124.2	0	0	0	113.1	L613 I614 H617 L725 E726 V731 Y732 Y733 I740	L613-W729 HydrophobicContact CB-CD2 4.33Å; L613-W729 HydrophobicContact CB-CE3 3.7Å; L613-W729 HydrophobicContact CB-CZ3 3.94Å; L613-W729 HydrophobicContact CD1-CB 4.16Å; L613-W729 HydrophobicContact CD1-CE3 4.03Å; L613-W729 HydrophobicContact CD2-CB 4.05Å; L613-W729 HydrophobicContact CD2-CD2 4.44Å; L613-W729 HydrophobicContact CD2-CG 4.28Å; L613-W729 HydrophobicContact CG-CE3 4.31Å; I614-W729 HydrophobicContact CG1-CH2 4.39Å; I614-W729 HydrophobicContact CG1-CZ3 4.29Å; H617-W729 HydrophobicContact CB-CH2 4.25Å; H617-W729 HydrophobicContact CB-CZ2 3.66Å; H617-W729 AromaticContact CD2-CZ2 3.91Å; H617-W729 AromaticContact CG-CZ2 3.65Å; L725-W729 PolarHBondContact O-N 3.33Å; E726-W729 PolarHBondContact O-N 3.03Å; W729-V731 PolarHBondContact O-N 3.02Å; W729-Y732 PolarHBondContact O-N 3.43Å; W729-Y733 AromaticContact CE2-CD2 3.84Å; W729-Y733 HydrophobicContact CH2-CD2 4.34Å; W729-Y733 AromaticContact CZ2-CD2 3.57Å; W729-Y733 HydrophobicContact CZ2-CD2 3.57Å; W729-Y733 HydrophobicContact CZ2-CE2 4.38Å; W729-Y733 HydrophobicContact CZ2-CG 4.28Å; W729-Y733 AromaticContact NE1-CD2 4Å; W729-Y733 WeakPolarHBondContact O-CB 3.21Å; W729-Y733 PolarHBondContact O-N 3.29Å; W729-I740 HydrophobicContact CH2-CD1 3.97Å; W729-I740 HydrophobicContact CZ2-CD1 4.47Å
730	Q	97.4	Very high	94.7	Very high	141 Å²	141	40.4 Å²	40.4	66%	0.659	21%	0.214	S	C	*	.	H	α-helix	trans	-58.8	-32.6	172.6	-77.2	169.5	30.5	0	0	112.9	E726 V728 P734	E726-Q730 WeakPolarHBondContact O-CB 3.48Å; E726-Q730 WeakPolarHBondContact O-CG 3.44Å; E726-Q730 PolarHBondContact O-N 3.46Å; V728-Q730 PolarHBondContact O-N 2.81Å; Q730-P734 WeakPolarHBondContact O-CD 3.44Å; Q730-P734 WeakPolarHBondContact O-CG 3.42Å
731	V	97.2	Very high	94.5	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.073	23%	0.23	C	C	.	.	H	α-helix	trans	-85	-41.5	176.7	179.5	0	0	0	0	111.8	I571 Y573 I717 T727 V728 W729 M735	I571-V731 HydrophobicContact CB-CG1 4.11Å; I571-V731 HydrophobicContact CD1-CG1 4.42Å; Y573-V731 HydrophobicContact CD2-CG2 3.78Å; Y573-V731 HydrophobicContact CG-CG2 4Å; I717-V731 HydrophobicContact CD1-CB 4.26Å; I717-V731 HydrophobicContact CD1-CG1 3.87Å; I717-V731 HydrophobicContact CD1-CG2 4.36Å; T727-V731 PolarHBondContact O-N 2.84Å; V728-V731 PolarHBondContact O-N 2.94Å; V728-V731 VanDerWaalsContact O-N 3.14Å; W729-V731 PolarHBondContact O-N 3.02Å; V731-M735 HydrophobicContact CG1-CE 4.27Å
732	Y	97.7	Very high	94.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-83.7	-33.6	-173.4	-85.6	-112.1	0	0	0	114.2	L610 F710 L713 A714 I717 V728 W729 M735 M736	L610-Y732 HydrophobicContact CD1-CD1 4.31Å; L610-Y732 HydrophobicContact CD1-CE1 4.05Å; L610-Y732 HydrophobicContact CD2-CD1 3.66Å; L610-Y732 HydrophobicContact CD2-CE1 4.07Å; L610-Y732 HydrophobicContact CD2-CG 4.19Å; F710-Y732 AromaticContact CD1-CE1 3.87Å; F710-Y732 HydrophobicContact CD1-CE1 3.87Å; F710-Y732 HydrophobicContact CD2-CE1 4.25Å; F710-Y732 AromaticContact CE1-CD1 3.78Å; F710-Y732 HydrophobicContact CE1-CD1 3.78Å; F710-Y732 AromaticContact CE1-CE1 3.52Å; F710-Y732 HydrophobicContact CE1-CE1 3.52Å; F710-Y732 HydrophobicContact CE2-CD1 4.38Å; F710-Y732 AromaticContact CE2-CE1 3.93Å; F710-Y732 HydrophobicContact CE2-CE1 3.93Å; F710-Y732 HydrophobicContact CG-CE1 4.23Å; F710-Y732 AromaticContact CZ-CD1 3.67Å; F710-Y732 HydrophobicContact CZ-CD1 3.67Å; F710-Y732 AromaticContact CZ-CE1 3.55Å; F710-Y732 HydrophobicContact CZ-CE1 3.55Å; F710-Y732 WeakPolarHBondContact O-CE1 3.37Å; F710-Y732 PolarHBondContact O-OH 2.98Å; L713-Y732 WeakPolarHBondContact CB-OH 3.41Å; A714-Y732 HydrophobicContact CB-CE1 4.08Å; A714-Y732 HydrophobicContact CB-CE2 4.04Å; A714-Y732 PolarHBondContact N-OH 3.05Å; I717-Y732 HydrophobicContact CD1-CE2 4.11Å; V728-Y732 HydrophobicContact CG1-CD2 4.1Å; V728-Y732 WeakPolarHBondContact O-CD2 3.48Å; V728-Y732 PolarHBondContact O-N 3.42Å; W729-Y732 PolarHBondContact O-N 3.43Å; Y732-M735 HydrophobicContact CD1-CE 3.95Å; Y732-M735 HydrophobicContact CD2-CE 3.76Å; Y732-M735 HydrophobicContact CE1-CE 4.06Å; Y732-M735 HydrophobicContact CE2-CE 3.83Å; Y732-M735 HydrophobicContact CG-CE 3.79Å; Y732-M735 WeakPolarHBondContact O-CA 3.35Å; Y732-M735 WeakPolarHBondContact O-CB 3.31Å; Y732-M735 PolarHBondContact O-N 3.43Å; Y732-M736 PolarHBondContact O-N 3.05Å
733	Y	96.6	Very high	93.9	Very high	69 Å²	69	47.8 Å²	47.8	27%	0.271	23%	0.232	S	C	.	.	H	α-helix	trans	-58.5	-44.9	180	-179.9	-116.5	0	0	0	112.7	H617 W729 M735 M736 R737	H617-Y733 AromaticContact CE1-CE2 3.73Å; H617-Y733 AromaticContact NE2-CE2 3.59Å; W729-Y733 AromaticContact CE2-CD2 3.84Å; W729-Y733 HydrophobicContact CH2-CD2 4.34Å; W729-Y733 AromaticContact CZ2-CD2 3.57Å; W729-Y733 HydrophobicContact CZ2-CD2 3.57Å; W729-Y733 HydrophobicContact CZ2-CE2 4.38Å; W729-Y733 HydrophobicContact CZ2-CG 4.28Å; W729-Y733 AromaticContact NE1-CD2 4Å; W729-Y733 WeakPolarHBondContact O-CB 3.21Å; W729-Y733 PolarHBondContact O-N 3.29Å; Y733-M735 PolarHBondContact O-N 2.93Å; Y733-M736 PolarHBondContact O-N 3.48Å; Y733-R737 HydrophobicContact CD2-CB 4.07Å; Y733-R737 HydrophobicContact CE1-CB 4.5Å; Y733-R737 HydrophobicContact CE1-CG 4.47Å; Y733-R737 HydrophobicContact CE2-CB 3.83Å; Y733-R737 HydrophobicContact CE2-CG 4.02Å; Y733-R737 HydrophobicContact CG-CB 4.5Å; Y733-R737 WeakPolarHBondContact O-CA 3.43Å; Y733-R737 WeakPolarHBondContact O-CB 3.25Å; Y733-R737 PolarHBondContact O-N 3.29Å
734	P	96.4	Very high	93.5	Very high	81 Å²	81	45.8 Å²	45.8	53%	0.526	22%	0.223	S	C	.	.	H	α-helix	trans	-58.3	-28.8	172.5	-25.9	35.5	0	0	0	114.9	Q730	Q730-P734 WeakPolarHBondContact O-CD 3.44Å; Q730-P734 WeakPolarHBondContact O-CG 3.42Å
735	M	94.5	Very high	93	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.034	24%	0.24	C	C	.	.	H	α-helix	trans	-80	-40.8	177.3	-62.1	-170.4	-73	0	0	112.2	I571 Y650 Y652 F710 V731 Y732 Y733	I571-M735 HydrophobicContact CG2-SD 4.46Å; Y650-M735 HydrophobicContact CD1-CG 4Å; Y650-M735 HydrophobicContact CD1-SD 4.17Å; Y650-M735 HydrophobicContact CD2-CB 4.07Å; Y650-M735 HydrophobicContact CD2-CG 3.96Å; Y650-M735 HydrophobicContact CD2-SD 4.05Å; Y650-M735 HydrophobicContact CE1-CG 3.91Å; Y650-M735 HydrophobicContact CE2-CB 3.71Å; Y650-M735 HydrophobicContact CE2-CG 3.89Å; Y650-M735 HydrophobicContact CG-CG 4.06Å; Y650-M735 HydrophobicContact CG-SD 3.87Å; Y652-M735 HydrophobicContact CE1-SD 4.3Å; Y652-M735 WeakPolarHBondContact OH-CE 3.07Å; Y652-M735 PolarHBondContact OH-SD 2.58Å; F710-M735 HydrophobicContact CE2-CE 4.22Å; F710-M735 HydrophobicContact CE2-SD 4.4Å; V731-M735 HydrophobicContact CG1-CE 4.27Å; Y732-M735 HydrophobicContact CD1-CE 3.95Å; Y732-M735 HydrophobicContact CD2-CE 3.76Å; Y732-M735 HydrophobicContact CE1-CE 4.06Å; Y732-M735 HydrophobicContact CE2-CE 3.83Å; Y732-M735 HydrophobicContact CG-CE 3.79Å; Y732-M735 WeakPolarHBondContact O-CA 3.35Å; Y732-M735 WeakPolarHBondContact O-CB 3.31Å; Y732-M735 PolarHBondContact O-N 3.43Å; Y733-M735 PolarHBondContact O-N 2.93Å
736	M	93.9	Very high	92.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-89	-31.2	-174.2	-64.9	-157.9	75	0	0	114.5	I614 F643 L646 F710 Y732 Y733 P738 L739 I740	I614-M736 HydrophobicContact CD1-CE 3.63Å; I614-M736 HydrophobicContact CD1-SD 3.83Å; I614-M736 HydrophobicContact CG1-CE 4.19Å; I614-M736 HydrophobicContact CG1-SD 4.09Å; F643-M736 HydrophobicContact CD1-CE 4.46Å; F643-M736 HydrophobicContact CE1-CE 3.83Å; F643-M736 HydrophobicContact CE1-SD 4.49Å; L646-M736 HydrophobicContact CD1-CE 4.27Å; L646-M736 HydrophobicContact CD1-CG 4.03Å; F710-M736 HydrophobicContact CE1-SD 4.44Å; F710-M736 HydrophobicContact CZ-CG 4.28Å; Y732-M736 PolarHBondContact O-N 3.05Å; Y733-M736 PolarHBondContact O-N 3.48Å; M736-P738 VanDerWaalsContact C-CD 3.46Å; M736-L739 WeakPolarHBondContact O-CB 3.49Å; M736-L739 PolarHBondContact O-N 2.85Å; M736-I740 HydrophobicContact CB-CD1 3.73Å; M736-I740 HydrophobicContact CB-CG1 4.26Å; M736-I740 PolarHBondContact O-N 3.33Å
737	R	93.1	Very high	91.6	Very high	113 Å²	113	50.6 Å²	50.6	43%	0.426	26%	0.26	S	S	.	.	H	α-helix	trans	-46.2	-48.2	-172.8	173.5	-176.2	177.9	-173.5	-1.5	114.2	Y733 L739 I740 E741	Y733-R737 HydrophobicContact CD2-CB 4.07Å; Y733-R737 HydrophobicContact CE1-CB 4.5Å; Y733-R737 HydrophobicContact CE1-CG 4.47Å; Y733-R737 HydrophobicContact CE2-CB 3.83Å; Y733-R737 HydrophobicContact CE2-CG 4.02Å; Y733-R737 HydrophobicContact CG-CB 4.5Å; Y733-R737 WeakPolarHBondContact O-CA 3.43Å; Y733-R737 WeakPolarHBondContact O-CB 3.25Å; Y733-R737 PolarHBondContact O-N 3.29Å; R737-L739 PolarHBondContact O-N 3.43Å; R737-L739 VanDerWaalsContact O-N 3.17Å; R737-I740 PolarHBondContact O-N 3.45Å; R737-E741 HydrophobicContact CG-CG 4.12Å; R737-E741 IonicContact CZ-OE1 2.68Å; R737-E741 VanDerWaalsContact NE-CD 3.31Å; R737-E741 IonicContact NE-OE1 2.65Å; R737-E741 PolarHBondContact NE-OE1 2.9Å; R737-E741 IonicContact NE-OE2 3.14Å; R737-E741 PolarHBondContact NE-OE2 2.81Å; R737-E741 IonicContact NH2-OE1 2.73Å; R737-E741 PolarHBondContact NH2-OE1 3.46Å; R737-E741 WeakPolarHBondContact O-CB 3.46Å; R737-E741 WeakPolarHBondContact O-CG 3.43Å; R737-E741 PolarHBondContact O-N 3.28Å
738	P	91.1	Very high	90.5	Very high	66 Å²	66	51.3 Å²	51.3	43%	0.429	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-26	-178.1	-22.5	34.7	0	0	0	113.7	M736 K742	M736-P738 VanDerWaalsContact C-CD 3.46Å; P738-K742 VanDerWaalsContact O-CB 3.3Å; P738-K742 WeakPolarHBondContact O-CB 3.46Å; P738-K742 PolarHBondContact O-N 3.35Å
739	L	89.2	Confident	89.3	Confident	29 Å²	29	55.2 Å²	55.2	15%	0.152	28%	0.28	C	S	.	.	H	α-helix	trans	-84.7	-39.9	175.9	-171.4	67.2	0	0	0	111.7	L637 I642 M736 R737 K742 F743	L637-L739 HydrophobicContact CD2-CD2 4.13Å; L637-L739 HydrophobicContact CD2-CG 3.99Å; I642-L739 HydrophobicContact CB-CD2 4.4Å; I642-L739 HydrophobicContact CD1-CD2 3.92Å; I642-L739 HydrophobicContact CG1-CD2 4.35Å; I642-L739 HydrophobicContact CG2-CD2 3.27Å; M736-L739 WeakPolarHBondContact O-CB 3.49Å; M736-L739 PolarHBondContact O-N 2.85Å; R737-L739 PolarHBondContact O-N 3.43Å; R737-L739 VanDerWaalsContact O-N 3.17Å; L739-K742 PolarHBondContact O-N 3.14Å; L739-F743 HydrophobicContact CD1-CD1 4.06Å; L739-F743 HydrophobicContact CD1-CD2 4.46Å; L739-F743 HydrophobicContact CD1-CE1 3.63Å; L739-F743 HydrophobicContact CD1-CE2 4.07Å; L739-F743 HydrophobicContact CD1-CG 4.47Å; L739-F743 HydrophobicContact CD1-CZ 3.64Å; L739-F743 HydrophobicContact CD2-CE2 4.34Å; L739-F743 HydrophobicContact CG-CD2 4.3Å; L739-F743 HydrophobicContact CG-CE1 4.45Å; L739-F743 HydrophobicContact CG-CE2 4.14Å; L739-F743 HydrophobicContact CG-CZ 4.22Å; L739-F743 WeakPolarHBondContact O-CB 3.46Å; L739-F743 PolarHBondContact O-N 3.49Å
740	I	90.3	Very high	88.4	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-47.4	173.8	-63.5	170.2	0	0	0	110.2	L637 W729 M736 R737 F743 S744	L637-I740 HydrophobicContact CD1-CG1 4.09Å; L637-I740 HydrophobicContact CD2-CG1 4.01Å; W729-I740 HydrophobicContact CH2-CD1 3.97Å; W729-I740 HydrophobicContact CZ2-CD1 4.47Å; M736-I740 HydrophobicContact CB-CD1 3.73Å; M736-I740 HydrophobicContact CB-CG1 4.26Å; M736-I740 PolarHBondContact O-N 3.33Å; R737-I740 PolarHBondContact O-N 3.45Å; I740-F743 PolarHBondContact O-N 3Å; I740-S744 VanDerWaalsContact O-CB 3.23Å; I740-S744 WeakPolarHBondContact O-CB 3.5Å; I740-S744 PolarHBondContact O-N 3.2Å; I740-S744 PolarHBondContact O-OG 3.08Å
741	E	88.9	Confident	87.8	Confident	81 Å²	81	50.1 Å²	50.1	38%	0.379	27%	0.266	S	S	.	.	H	α-helix	trans	-62.1	-43.8	176.8	-72.6	175.7	151.8	0	0	111.3	R737 A745	R737-E741 HydrophobicContact CG-CG 4.12Å; R737-E741 IonicContact CZ-OE1 2.68Å; R737-E741 VanDerWaalsContact NE-CD 3.31Å; R737-E741 IonicContact NE-OE1 2.65Å; R737-E741 PolarHBondContact NE-OE1 2.9Å; R737-E741 IonicContact NE-OE2 3.14Å; R737-E741 PolarHBondContact NE-OE2 2.81Å; R737-E741 IonicContact NH2-OE1 2.73Å; R737-E741 PolarHBondContact NH2-OE1 3.46Å; R737-E741 WeakPolarHBondContact O-CB 3.46Å; R737-E741 WeakPolarHBondContact O-CG 3.43Å; R737-E741 PolarHBondContact O-N 3.28Å; E741-A745 VanDerWaalsContact O-CB 3.3Å; E741-A745 WeakPolarHBondContact O-CB 3.35Å; E741-A745 PolarHBondContact O-N 2.89Å
742	K	87.3	Confident	87.2	Confident	109 Å²	109	50.8 Å²	50.8	47%	0.474	27%	0.27	S	S	.	.	H	α-helix	trans	-61.8	-47.5	177.1	-176.1	174	-176.6	173.1	0	112.5	P738 L739 N746	P738-K742 VanDerWaalsContact O-CB 3.3Å; P738-K742 WeakPolarHBondContact O-CB 3.46Å; P738-K742 PolarHBondContact O-N 3.35Å; L739-K742 PolarHBondContact O-N 3.14Å; K742-N746 PolarHBondContact O-N 3.37Å
743	F	87.3	Confident	86.5	Confident	36 Å²	36	54.4 Å²	54.4	16%	0.158	28%	0.284	C	S	.	.	H	α-helix	trans	-75.6	-35.9	-178.3	-74.6	2.7	0	0	0	112.5	L633 A636 L637 I642 L739 I740 A745 N746 V747 P748	L633-F743 HydrophobicContact CD2-CB 4.1Å; L633-F743 VanDerWaalsContact CD2-O 3.31Å; L633-F743 WeakPolarHBondContact CD2-O 3.5Å; A636-F743 HydrophobicContact CB-CD2 3.93Å; A636-F743 HydrophobicContact CB-CE2 3.94Å; L637-F743 HydrophobicContact CD2-CB 4.45Å; L637-F743 HydrophobicContact CD2-CD2 3.59Å; L637-F743 HydrophobicContact CD2-CE2 4.23Å; L637-F743 HydrophobicContact CD2-CG 4.33Å; L637-F743 HydrophobicContact CG-CD2 3.92Å; I642-F743 HydrophobicContact CD1-CE2 4.4Å; I642-F743 HydrophobicContact CD1-CZ 4.29Å; L739-F743 HydrophobicContact CD1-CD1 4.06Å; L739-F743 HydrophobicContact CD1-CD2 4.46Å; L739-F743 HydrophobicContact CD1-CE1 3.63Å; L739-F743 HydrophobicContact CD1-CE2 4.07Å; L739-F743 HydrophobicContact CD1-CG 4.47Å; L739-F743 HydrophobicContact CD1-CZ 3.64Å; L739-F743 HydrophobicContact CD2-CE2 4.34Å; L739-F743 HydrophobicContact CG-CD2 4.3Å; L739-F743 HydrophobicContact CG-CE1 4.45Å; L739-F743 HydrophobicContact CG-CE2 4.14Å; L739-F743 HydrophobicContact CG-CZ 4.22Å; L739-F743 WeakPolarHBondContact O-CB 3.46Å; L739-F743 PolarHBondContact O-N 3.49Å; I740-F743 PolarHBondContact O-N 3Å; F743-A745 VanDerWaalsContact C-N 3.25Å; F743-A745 PolarHBondContact O-N 2.92Å; F743-N746 CarbonylContact O-C 3.6Å; F743-N746 PolarHBondContact O-N 3.15Å; F743-N746 VanDerWaalsContact O-O 3.14Å; F743-V747 WeakPolarHBondContact O-CA 3.28Å; F743-V747 PolarHBondContact O-N 3.44Å; F743-V747 VanDerWaalsContact O-N 3.08Å; F743-P748 HydrophobicContact CB-CG 4.25Å; F743-P748 HydrophobicContact CD1-CG 4.34Å; F743-P748 HydrophobicContact CD2-CG 3.89Å; F743-P748 HydrophobicContact CE2-CG 4.28Å; F743-P748 HydrophobicContact CG-CG 3.92Å
744	S	84.6	Confident	86	Confident	3 Å²	3	53 Å²	53	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-77.1	-13.6	177.5	-47.8	0	0	0	0	112.7	R623 I740	R623-S744 VanDerWaalsContact CZ-CB 3.41Å; R623-S744 PolarHBondContact NH1-O 2.97Å; I740-S744 VanDerWaalsContact O-CB 3.23Å; I740-S744 WeakPolarHBondContact O-CB 3.5Å; I740-S744 PolarHBondContact O-N 3.2Å; I740-S744 PolarHBondContact O-OG 3.08Å
745	A	84.5	Confident	85.6	Confident	66 Å²	66	49.1 Å²	49.1	55%	0.545	26%	0.255	S	S	.	.	H	α-helix	trans	-82.9	-52.9	164.1	0	0	0	0	0	111.3	E741 F743	E741-A745 VanDerWaalsContact O-CB 3.3Å; E741-A745 WeakPolarHBondContact O-CB 3.35Å; E741-A745 PolarHBondContact O-N 2.89Å; F743-A745 VanDerWaalsContact C-N 3.25Å; F743-A745 PolarHBondContact O-N 2.92Å
746	N	81.2	Confident	85.2	Confident	129 Å²	129	51.9 Å²	51.9	69%	0.69	27%	0.269	S	S	*	.	S	Bend	trans	-112.7	85.3	179.5	-71.1	-18.5	0	0	0	110	K742 F743 P748	K742-N746 PolarHBondContact O-N 3.37Å; F743-N746 CarbonylContact O-C 3.6Å; F743-N746 PolarHBondContact O-N 3.15Å; F743-N746 VanDerWaalsContact O-O 3.14Å; N746-P748 WeakPolarHBondContact O-CD 3.33Å; N746-P748 VanDerWaalsContact O-N 3.15Å
747	V	79.6	Confident	84.9	Confident	40 Å²	40	56.5 Å²	56.5	24%	0.242	29%	0.291	C	S	.	.			trans	-55.8	116.7	-174.9	-179.4	0	0	0	0	110.4	V629 D632 L633 F743 R749	V629-V747 HydrophobicContact CG1-CG1 4.07Å; V629-V747 HydrophobicContact CG1-CG2 3.82Å; D632-V747 HydrophobicContact CB-CG1 4.24Å; L633-V747 HydrophobicContact CD2-CG1 4.33Å; L633-V747 HydrophobicContact CD2-CG2 4.35Å; L633-V747 HydrophobicContact CG-CG1 4.33Å; F743-V747 WeakPolarHBondContact O-CA 3.28Å; F743-V747 PolarHBondContact O-N 3.44Å; F743-V747 VanDerWaalsContact O-N 3.08Å; V747-R749 VanDerWaalsContact C-N 3.3Å; V747-R749 VanDerWaalsContact O-CG 3.25Å; V747-R749 WeakPolarHBondContact O-CG 3.31Å; V747-R749 PolarHBondContact O-N 3.26Å
748	P	73.6	Confident	84.4	Confident	48 Å²	48	54.7 Å²	54.7	31%	0.312	29%	0.288	S	S	.	.			trans	-74.8	82.7	-178.9	30.8	-35.6	0	0	0	110.4	A636 F743 N746	A636-P748 HydrophobicContact CB-CB 4.31Å; A636-P748 HydrophobicContact CB-CG 3.36Å; F743-P748 HydrophobicContact CB-CG 4.25Å; F743-P748 HydrophobicContact CD1-CG 4.34Å; F743-P748 HydrophobicContact CD2-CG 3.89Å; F743-P748 HydrophobicContact CE2-CG 4.28Å; F743-P748 HydrophobicContact CG-CG 3.92Å; N746-P748 WeakPolarHBondContact O-CD 3.33Å; N746-P748 VanDerWaalsContact O-N 3.15Å
749	R	73.4	Confident	84.2	Confident	82 Å²	82	53.4 Å²	53.4	31%	0.309	28%	0.276	S	S	.	.			trans	-65	140.2	-178.2	-42.7	-155.3	72.5	-149.2	-5.8	110.4	V747 P751 E754 E757	V747-R749 VanDerWaalsContact C-N 3.3Å; V747-R749 VanDerWaalsContact O-CG 3.25Å; V747-R749 WeakPolarHBondContact O-CG 3.31Å; V747-R749 PolarHBondContact O-N 3.26Å; R749-P751 WeakPolarHBondContact O-CD 3.42Å; R749-E754 HydrophobicContact CB-CB 4.38Å; R749-E757 IonicContact CZ-OE1 3.91Å; R749-E757 IonicContact CZ-OE2 2.75Å; R749-E757 IonicContact NH1-OE2 2.84Å; R749-E757 PolarHBondContact NH1-OE2 3.27Å; R749-E757 IonicContact NH2-OE1 3.29Å; R749-E757 PolarHBondContact NH2-OE1 3.41Å; R749-E757 IonicContact NH2-OE2 2.88Å; R749-E757 PolarHBondContact NH2-OE2 3.4Å
750	S	79.6	Confident	84	Confident	52 Å²	52	56 Å²	56	36%	0.364	30%	0.295	S	S	.	.			trans	-60.4	125	169.8	171.3	0	0	0	0	109.6	V752 R753 E754	S750-V752 PolarHBondContact O-N 2.91Å; S750-V752 VanDerWaalsContact O-N 3.1Å; S750-R753 WeakPolarHBondContact O-CA 3.46Å; S750-R753 WeakPolarHBondContact O-CB 3.45Å; S750-R753 PolarHBondContact O-N 3.17Å; S750-E754 PolarHBondContact O-N 3.08Å
751	P	83.4	Confident	83.8	Confident	27 Å²	27	62.8 Å²	62.8	18%	0.175	33%	0.326	C	S	.	.	H	α-helix	trans	-57.6	-30.1	-179.1	-29.8	37.4	0	0	0	113.7	R749 L755 A803 R804 L807	R749-P751 WeakPolarHBondContact O-CD 3.42Å; P751-L755 WeakPolarHBondContact O-CB 3.46Å; P751-L755 PolarHBondContact O-N 3.34Å; P751-L755 VanDerWaalsContact O-N 3.13Å; P751-A803 HydrophobicContact CB-CB 4.14Å; P751-A803 WeakPolarHBondContact O-CB 3.36Å; P751-R804 HydrophobicContact CB-CG 3.63Å; P751-R804 HydrophobicContact CG-CG 3.6Å; P751-L807 HydrophobicContact CB-CD1 3.86Å; P751-L807 WeakPolarHBondContact O-CD1 3.05Å
752	V	85.3	Confident	83.7	Confident	25 Å²	25	60.7 Å²	60.7	15%	0.152	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-38.6	174.7	179.9	0	0	0	0	111.1	S750 L756 F765 K799 A803	S750-V752 PolarHBondContact O-N 2.91Å; S750-V752 VanDerWaalsContact O-N 3.1Å; V752-L756 HydrophobicContact CG1-CD1 4.04Å; V752-L756 WeakPolarHBondContact O-CB 3.48Å; V752-L756 WeakPolarHBondContact O-CD1 3.24Å; V752-L756 VanDerWaalsContact O-CG 3.26Å; V752-L756 WeakPolarHBondContact O-CG 3.46Å; V752-L756 PolarHBondContact O-N 3.26Å; V752-L756 VanDerWaalsContact O-N 3.16Å; V752-F765 HydrophobicContact CB-CZ 4.48Å; V752-F765 HydrophobicContact CG1-CE2 3.99Å; V752-F765 HydrophobicContact CG1-CZ 3.85Å; V752-F765 HydrophobicContact CG2-CZ 4.41Å; V752-K799 HydrophobicContact CG1-CD 4.35Å; V752-K799 HydrophobicContact CG2-CD 4.44Å; V752-K799 HydrophobicContact CG2-CG 4Å; V752-A803 HydrophobicContact CG2-CB 4.01Å
753	R	83	Confident	83.9	Confident	76 Å²	76	55.7 Å²	55.7	29%	0.287	30%	0.299	S	S	.	.	H	α-helix	trans	-71.6	-48.6	178	-179.6	-177.2	-178	160.2	8.7	111.1	G628 D632 S750 L755 L756 E757	G628-R753 PolarHBondContact O-NH1 2.85Å; D632-R753 IonicContact OD1-CZ 2.71Å; D632-R753 IonicContact OD1-NH1 2.76Å; D632-R753 PolarHBondContact OD1-NH1 2.8Å; D632-R753 IonicContact OD2-CZ 3.77Å; D632-R753 IonicContact OD2-NE 2.71Å; D632-R753 IonicContact OD2-NH1 3.2Å; D632-R753 PolarHBondContact OD2-NH1 2.93Å; S750-R753 WeakPolarHBondContact O-CA 3.46Å; S750-R753 WeakPolarHBondContact O-CB 3.45Å; S750-R753 PolarHBondContact O-N 3.17Å; R753-L755 VanDerWaalsContact C-N 3.25Å; R753-L755 PolarHBondContact O-N 3.2Å; R753-L756 PolarHBondContact O-N 3.33Å; R753-L756 VanDerWaalsContact O-N 3.15Å; R753-E757 HydrophobicContact CG-CG 4.42Å; R753-E757 VanDerWaalsContact CG-OE1 3.28Å; R753-E757 WeakPolarHBondContact CG-OE1 3.15Å; R753-E757 IonicContact CZ-OE1 3.22Å; R753-E757 IonicContact NE-OE1 2.85Å; R753-E757 PolarHBondContact NE-OE1 3.18Å; R753-E757 IonicContact NH2-OE1 2.8Å; R753-E757 WeakPolarHBondContact O-CG 3.49Å; R753-E757 PolarHBondContact O-N 2.91Å
754	E	86.1	Confident	84.1	Confident	39 Å²	39	60 Å²	60	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-58	-39.2	178.1	-170.5	-171.4	173.2	0	0	111.6	R749 S750 M758 L807 K811	R749-E754 HydrophobicContact CB-CB 4.38Å; S750-E754 PolarHBondContact O-N 3.08Å; E754-M758 PolarHBondContact O-N 2.82Å; E754-L807 HydrophobicContact CB-CD1 4.15Å; E754-L807 HydrophobicContact CB-CD2 4.25Å; E754-L807 HydrophobicContact CG-CD1 4.36Å; E754-L807 HydrophobicContact CG-CD2 3.95Å; E754-L807 WeakPolarHBondContact OE2-CD1 3.3Å; E754-K811 WeakPolarHBondContact OE1-CE 3.44Å; E754-K811 IonicContact OE1-NZ 3.69Å; E754-K811 PolarHBondContact OE1-NZ 3.05Å; E754-K811 IonicContact OE2-NZ 3.95Å
755	L	87.7	Confident	84.6	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.7	-45.6	175.2	-178.3	62.6	0	0	0	112.2	P751 R753 E757 M758 E759 A763 F765 V780 V782 A803 A806 L807 L810	P751-L755 WeakPolarHBondContact O-CB 3.46Å; P751-L755 PolarHBondContact O-N 3.34Å; P751-L755 VanDerWaalsContact O-N 3.13Å; R753-L755 VanDerWaalsContact C-N 3.25Å; R753-L755 PolarHBondContact O-N 3.2Å; L755-E757 VanDerWaalsContact C-N 3.3Å; L755-E757 PolarHBondContact O-N 3.42Å; L755-M758 PolarHBondContact O-N 3.47Å; L755-E759 WeakPolarHBondContact O-CB 3.42Å; L755-E759 PolarHBondContact O-N 3.31Å; L755-A763 HydrophobicContact CD1-CB 4.4Å; L755-A763 HydrophobicContact CD2-CB 4.15Å; L755-A763 HydrophobicContact CG-CB 3.91Å; L755-F765 HydrophobicContact CD2-CZ 4.07Å; L755-V780 HydrophobicContact CD2-CG1 4.2Å; L755-V780 HydrophobicContact CD2-CG2 3.9Å; L755-V782 HydrophobicContact CD1-CG2 4.25Å; L755-V782 HydrophobicContact CD2-CG2 4.48Å; L755-A803 HydrophobicContact CB-CB 4.45Å; L755-A803 HydrophobicContact CD2-CB 4Å; L755-A806 HydrophobicContact CD1-CB 4.02Å; L755-A806 HydrophobicContact CD2-CB 3.84Å; L755-L807 HydrophobicContact CB-CD2 4.05Å; L755-L807 HydrophobicContact CB-CG 4.26Å; L755-L807 HydrophobicContact CD1-CD2 4.28Å; L755-L810 HydrophobicContact CD1-CD1 3.44Å; L755-L810 VanDerWaalsContact CD1-CD1 3.44Å
756	L	87.3	Confident	84.9	Confident	65 Å²	65	60 Å²	60	34%	0.34	31%	0.308	S	S	.	.	H	α-helix	trans	-70.3	-23.4	179.8	-71.5	169.2	0	0	0	113.3	V752 R753 P760 A763 F765	V752-L756 HydrophobicContact CG1-CD1 4.04Å; V752-L756 WeakPolarHBondContact O-CB 3.48Å; V752-L756 WeakPolarHBondContact O-CD1 3.24Å; V752-L756 VanDerWaalsContact O-CG 3.26Å; V752-L756 WeakPolarHBondContact O-CG 3.46Å; V752-L756 PolarHBondContact O-N 3.26Å; V752-L756 VanDerWaalsContact O-N 3.16Å; R753-L756 PolarHBondContact O-N 3.33Å; R753-L756 VanDerWaalsContact O-N 3.15Å; L756-P760 WeakPolarHBondContact O-CA 3.43Å; L756-P760 VanDerWaalsContact O-CB 3.29Å; L756-P760 WeakPolarHBondContact O-CB 3.2Å; L756-A763 HydrophobicContact CD2-CB 4.37Å; L756-F765 HydrophobicContact CD1-CE2 4.4Å; L756-F765 HydrophobicContact CD2-CE2 4.3Å; L756-F765 HydrophobicContact CG-CE2 4.32Å
757	E	85.9	Confident	85.5	Confident	98 Å²	98	59.1 Å²	59.1	46%	0.458	31%	0.309	S	S	.	.	H	α-helix	trans	-80	-28	173.6	-73.7	179.1	-160	0	0	112.9	R749 R753 L755	R749-E757 IonicContact CZ-OE1 3.91Å; R749-E757 IonicContact CZ-OE2 2.75Å; R749-E757 IonicContact NH1-OE2 2.84Å; R749-E757 PolarHBondContact NH1-OE2 3.27Å; R749-E757 IonicContact NH2-OE1 3.29Å; R749-E757 PolarHBondContact NH2-OE1 3.41Å; R749-E757 IonicContact NH2-OE2 2.88Å; R749-E757 PolarHBondContact NH2-OE2 3.4Å; R753-E757 HydrophobicContact CG-CG 4.42Å; R753-E757 VanDerWaalsContact CG-OE1 3.28Å; R753-E757 WeakPolarHBondContact CG-OE1 3.15Å; R753-E757 IonicContact CZ-OE1 3.22Å; R753-E757 IonicContact NE-OE1 2.85Å; R753-E757 PolarHBondContact NE-OE1 3.18Å; R753-E757 IonicContact NH2-OE1 2.8Å; R753-E757 WeakPolarHBondContact O-CG 3.49Å; R753-E757 PolarHBondContact O-N 2.91Å; L755-E757 VanDerWaalsContact C-N 3.3Å; L755-E757 PolarHBondContact O-N 3.42Å
758	M	83.6	Confident	86	Confident	74 Å²	74	60 Å²	60	37%	0.365	32%	0.321	S	S	.	.	H	α-helix	trans	-82.9	-33.4	171.3	-71.8	-164.8	-66.1	0	0	113.3	E754 L755 L807 L810	E754-M758 PolarHBondContact O-N 2.82Å; L755-M758 PolarHBondContact O-N 3.47Å; M758-L807 HydrophobicContact CE-CD2 3.22Å; M758-L810 HydrophobicContact CE-CB 4.47Å; M758-L810 HydrophobicContact CE-CD1 3.94Å
759	E	87.6	Confident	86.9	Confident	39 Å²	39	61.8 Å²	61.8	18%	0.182	33%	0.325	C	S	.	.	S	Bend	trans	-134.7	58.4	-169.6	-65.8	-75.4	-178.2	0	0	111.3	L755 T762 A763 V782 L810	L755-E759 WeakPolarHBondContact O-CB 3.42Å; L755-E759 PolarHBondContact O-N 3.31Å; E759-T762 VanDerWaalsContact C-OG1 3.22Å; E759-T762 WeakPolarHBondContact CA-OG1 3.26Å; E759-T762 VanDerWaalsContact CB-OG1 3.24Å; E759-T762 WeakPolarHBondContact CB-OG1 3.33Å; E759-T762 PolarHBondContact O-N 3.46Å; E759-T762 PolarHBondContact O-OG1 2.99Å; E759-T762 VanDerWaalsContact OE2-CB 3.31Å; E759-T762 WeakPolarHBondContact OE2-CB 3.41Å; E759-T762 PolarHBondContact OE2-OG1 3.3Å; E759-A763 HydrophobicContact CB-CB 3.89Å; E759-A763 VanDerWaalsContact O-CB 3.25Å; E759-A763 WeakPolarHBondContact O-CB 3.25Å; E759-A763 PolarHBondContact O-N 2.72Å; E759-V782 HydrophobicContact CB-CG1 4.33Å; E759-V782 HydrophobicContact CG-CG1 3.97Å; E759-L810 HydrophobicContact CG-CD1 3.92Å; E759-L810 HydrophobicContact CG-CD2 4.36Å
760	P	84.2	Confident	87.7	Confident	83 Å²	83	68.8 Å²	68.8	54%	0.539	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-47.6	-166.8	21.5	-32.9	0	0	0	114.9	L756	L756-P760 WeakPolarHBondContact O-CA 3.43Å; L756-P760 VanDerWaalsContact O-CB 3.29Å; L756-P760 WeakPolarHBondContact O-CB 3.2Å
761	E	86.1	Confident	88.2	Confident	146 Å²	146	67.2 Å²	67.2	68%	0.682	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.5	179.4	-68.2	-57.9	147.9	0	0	113.1	K764	E761-K764 WeakPolarHBondContact O-CE 3.44Å; E761-K764 PolarHBondContact O-NZ 3.02Å
762	T	86.9	Confident	88.3	Confident	38 Å²	38	78 Å²	78	23%	0.233	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-25.2	-164.3	39.2	0	0	0	0	113.1	E759 V782 V783	E759-T762 VanDerWaalsContact C-OG1 3.22Å; E759-T762 WeakPolarHBondContact CA-OG1 3.26Å; E759-T762 VanDerWaalsContact CB-OG1 3.24Å; E759-T762 WeakPolarHBondContact CB-OG1 3.33Å; E759-T762 PolarHBondContact O-N 3.46Å; E759-T762 PolarHBondContact O-OG1 2.99Å; E759-T762 VanDerWaalsContact OE2-CB 3.31Å; E759-T762 WeakPolarHBondContact OE2-CB 3.41Å; E759-T762 PolarHBondContact OE2-OG1 3.3Å; T762-V782 WeakPolarHBondContact O-CA 3.49Å; T762-V783 HydrophobicContact CG2-CB 4Å; T762-V783 HydrophobicContact CG2-CG2 4.46Å; T762-V783 PolarHBondContact O-N 3.12Å
763	A	90.4	Very high	88.2	Confident	4 Å²	4	81.5 Å²	81.5	3%	0.033	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	105.5	175.9	0	0	0	0	0	112.6	L755 L756 E759 V780 E781 V782	L755-A763 HydrophobicContact CD1-CB 4.4Å; L755-A763 HydrophobicContact CD2-CB 4.15Å; L755-A763 HydrophobicContact CG-CB 3.91Å; L756-A763 HydrophobicContact CD2-CB 4.37Å; E759-A763 HydrophobicContact CB-CB 3.89Å; E759-A763 VanDerWaalsContact O-CB 3.25Å; E759-A763 WeakPolarHBondContact O-CB 3.25Å; E759-A763 PolarHBondContact O-N 2.72Å; A763-V780 HydrophobicContact CB-CG2 4.38Å; A763-E781 CarbonylContact C-O 3.58Å; A763-E781 WeakPolarHBondContact CA-O 3.48Å; A763-V782 HydrophobicContact CB-CG2 4.01Å
764	K	92.8	Very high	88.3	Confident	127 Å²	127	80.8 Å²	80.8	55%	0.552	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.8	-176.1	-69.4	176.2	176.6	160.3	0	111.4	E761 E781	E761-K764 WeakPolarHBondContact O-CE 3.44Å; E761-K764 PolarHBondContact O-NZ 3.02Å; K764-E781 PolarHBondContact N-O 3.11Å; K764-E781 PolarHBondContact O-N 3.25Å
765	F	93.8	Very high	88.4	Confident	41 Å²	41	82.4 Å²	82.4	18%	0.18	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	138.3	-178.8	-67.6	-91.3	0	0	0	111.5	V752 L755 L756 V778 V780 K799 A803	V752-F765 HydrophobicContact CB-CZ 4.48Å; V752-F765 HydrophobicContact CG1-CE2 3.99Å; V752-F765 HydrophobicContact CG1-CZ 3.85Å; V752-F765 HydrophobicContact CG2-CZ 4.41Å; L755-F765 HydrophobicContact CD2-CZ 4.07Å; L756-F765 HydrophobicContact CD1-CE2 4.4Å; L756-F765 HydrophobicContact CD2-CE2 4.3Å; L756-F765 HydrophobicContact CG-CE2 4.32Å; F765-V778 HydrophobicContact CD1-CG1 4.1Å; F765-V780 HydrophobicContact CD1-CB 3.64Å; F765-V780 HydrophobicContact CD1-CG2 3.79Å; F765-V780 HydrophobicContact CD2-CG2 4.13Å; F765-V780 HydrophobicContact CE1-CB 3.66Å; F765-V780 HydrophobicContact CE1-CG1 4.37Å; F765-V780 HydrophobicContact CE1-CG2 3.72Å; F765-V780 HydrophobicContact CE2-CG2 4.06Å; F765-V780 HydrophobicContact CG-CB 4.28Å; F765-V780 HydrophobicContact CG-CG2 4.01Å; F765-V780 HydrophobicContact CZ-CB 4.3Å; F765-V780 HydrophobicContact CZ-CG2 3.86Å; F765-K799 HydrophobicContact CD1-CD 4.19Å; F765-K799 HydrophobicContact CD1-CG 3.48Å; F765-K799 VanDerWaalsContact CD1-CG 3.48Å; F765-K799 VanDerWaalsContact CD2-CE 3.48Å; F765-K799 HydrophobicContact CE1-CD 4.38Å; F765-K799 HydrophobicContact CE1-CG 3.49Å; F765-K799 VanDerWaalsContact CE1-CG 3.49Å; F765-K799 HydrophobicContact CG-CD 4.37Å; F765-K799 VanDerWaalsContact CG-CE 3.4Å; F765-K799 HydrophobicContact CG-CG 4.14Å; F765-K799 HydrophobicContact CZ-CG 4.18Å; F765-A803 HydrophobicContact CE1-CB 4.24Å; F765-A803 HydrophobicContact CZ-CB 4.11Å
766	S	92.4	Very high	88.7	Confident	28 Å²	28	83.5 Å²	83.5	20%	0.196	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-70.1	164.3	173.2	74.7	0	0	0	0	112.3	T779	S766-T779 WeakPolarHBondContact CB-O 3.49Å; S766-T779 PolarHBondContact N-O 3.1Å; S766-T779 PolarHBondContact OG-N 3.31Å; S766-T779 PolarHBondContact OG-O 3.32Å
767	P	91.9	Very high	88.9	Confident	110 Å²	110	84.6 Å²	84.6	71%	0.714	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-54	166.1	156.5	-23.9	35.4	0	0	0	112.5
768	A	91.6	Very high	89.4	Confident	59 Å²	59	80 Å²	80	49%	0.488	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-75.3	121	174.4	0	0	0	0	0	111.1	V776 Y795	A768-V776 HydrophobicContact CB-CG1 3.89Å; A768-Y795 HydrophobicContact CB-CD2 3.68Å; A768-Y795 HydrophobicContact CB-CE2 4.22Å
769	E	91.8	Very high	89.9	Confident	85 Å²	85	77.1 Å²	77.1	40%	0.397	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	134.1	167.3	-68.1	169.1	-159.7	0	0	108.6	V776 R777	E769-V776 CarbonylContact O-C 3.59Å; E769-V776 WeakPolarHBondContact O-CA 3.48Å; E769-R777 HydrophobicContact CB-CB 4.13Å; E769-R777 PolarHBondContact N-O 3.44Å; E769-R777 PolarHBondContact O-N 2.92Å; E769-R777 VanDerWaalsContact OE2-CD 3.27Å; E769-R777 WeakPolarHBondContact OE2-CD 3.28Å
770	R	90.4	Very high	90.3	Very high	229 Å²	229	75.3 Å²	75.3	86%	0.864	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	136.9	164.6	-77.7	-172.5	177.8	-178.1	-0.3	109.4
771	T	89.4	Confident	90.8	Very high	18 Å²	18	75.5 Å²	75.5	11%	0.11	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-98.2	164	174.8	46.6	0	0	0	0	111.6	D773 G774 K775 R777	T771-D773 WeakPolarHBondContact CB-OD1 3.37Å; T771-D773 PolarHBondContact O-N 3.45Å; T771-D773 VanDerWaalsContact O-N 3.17Å; T771-D773 PolarHBondContact OG1-OD1 3.25Å; T771-G774 PolarHBondContact O-N 2.99Å; T771-K775 PolarHBondContact N-O 3.11Å; T771-K775 PolarHBondContact OG1-O 3.2Å; T771-R777 HydrophobicContact CG2-CB 3.78Å
772	Y	85.9	Confident	91.1	Very high	254 Å²	254	68.6 Å²	68.6	100%	0.996	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.7	-174.3	-60.7	-70.8	0	0	0	114.2	G774	Y772-G774 VanDerWaalsContact C-N 3.3Å
773	D	84.4	Confident	91.2	Very high	99 Å²	99	71.4 Å²	71.4	53%	0.529	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	10.5	173.2	65	-30.2	0	0	0	113.2	T771 K775	T771-D773 WeakPolarHBondContact CB-OD1 3.37Å; T771-D773 PolarHBondContact O-N 3.45Å; T771-D773 VanDerWaalsContact O-N 3.17Å; T771-D773 PolarHBondContact OG1-OD1 3.25Å; D773-K775 PolarHBondContact O-N 2.88Å; D773-K775 VanDerWaalsContact O-N 3.15Å; D773-K775 WeakPolarHBondContact OD2-CD 3.49Å; D773-K775 VanDerWaalsContact OD2-CG 3.23Å; D773-K775 WeakPolarHBondContact OD2-CG 3.38Å
774	G	84.1	Confident	90.9	Very high	60 Å²	60	75.1 Å²	75.1	62%	0.619	40%	0.399	S	S	*	.	S	Bend	trans	75.8	-8.5	180	0	0	0	0	0	115.2	T771 Y772	T771-G774 PolarHBondContact O-N 2.99Å; Y772-G774 VanDerWaalsContact C-N 3.3Å
775	K	89.1	Confident	90.5	Very high	74 Å²	74	73.1 Å²	73.1	32%	0.322	39%	0.39	S	S	.	.			trans	-66.8	164.9	174.7	-61.9	-171.5	-168	-169.8	0	110.9	D699 T771 D773 V791	D699-K775 IonicContact OD1-NZ 2.75Å; T771-K775 PolarHBondContact N-O 3.11Å; T771-K775 PolarHBondContact OG1-O 3.2Å; D773-K775 PolarHBondContact O-N 2.88Å; D773-K775 VanDerWaalsContact O-N 3.15Å; D773-K775 WeakPolarHBondContact OD2-CD 3.49Å; D773-K775 VanDerWaalsContact OD2-CG 3.23Å; D773-K775 WeakPolarHBondContact OD2-CG 3.38Å; K775-V791 HydrophobicContact CB-CG1 3.79Å; K775-V791 HydrophobicContact CD-CG1 4.14Å
776	V	92.6	Very high	90.3	Very high	23 Å²	23	72.8 Å²	72.8	14%	0.139	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.1	174.3	-179.2	0	0	0	0	109.1	A768 E769 V778 V791 G792 Y795 A798	A768-V776 HydrophobicContact CB-CG1 3.89Å; E769-V776 CarbonylContact O-C 3.59Å; E769-V776 WeakPolarHBondContact O-CA 3.48Å; V776-V778 HydrophobicContact CG1-CG2 4.43Å; V776-V791 CarbonylContact O-C 3.55Å; V776-V791 VanDerWaalsContact O-CA 3.26Å; V776-V791 WeakPolarHBondContact O-CA 3.43Å; V776-G792 PolarHBondContact N-O 2.77Å; V776-G792 PolarHBondContact O-N 3.15Å; V776-Y795 HydrophobicContact CG1-CD2 4.48Å; V776-A798 HydrophobicContact CB-CB 4.41Å; V776-A798 HydrophobicContact CG1-CB 4.27Å; V776-A798 VanDerWaalsContact O-CB 3.26Å; V776-A798 WeakPolarHBondContact O-CB 3.11Å
777	R	93.3	Very high	90.4	Very high	88 Å²	88	77.6 Å²	77.6	33%	0.332	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.9	172.8	176.2	-177.6	-69.2	158.2	0.6	110.4	E769 T771 G790 V791	E769-R777 HydrophobicContact CB-CB 4.13Å; E769-R777 PolarHBondContact N-O 3.44Å; E769-R777 PolarHBondContact O-N 2.92Å; E769-R777 VanDerWaalsContact OE2-CD 3.27Å; E769-R777 WeakPolarHBondContact OE2-CD 3.28Å; T771-R777 HydrophobicContact CG2-CB 3.78Å; R777-G790 CarbonylContact C-O 3.58Å; R777-G790 VanDerWaalsContact CA-O 3.3Å; R777-G790 WeakPolarHBondContact CA-O 3.44Å; R777-V791 HydrophobicContact CB-CG2 4.13Å; R777-V791 HydrophobicContact CG-CG2 4.13Å
778	V	95.7	Very high	90.5	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137	174.5	179.2	0	0	0	0	108.1	F765 V776 G790 Y795 A798 K799	F765-V778 HydrophobicContact CD1-CG1 4.1Å; V776-V778 HydrophobicContact CG1-CG2 4.43Å; V778-G790 PolarHBondContact N-O 3.22Å; V778-G790 PolarHBondContact O-N 2.81Å; V778-Y795 HydrophobicContact CG1-CE2 4.31Å; V778-Y795 HydrophobicContact CG2-CD2 3.4Å; V778-Y795 VanDerWaalsContact CG2-CD2 3.4Å; V778-Y795 HydrophobicContact CG2-CE2 3.47Å; V778-Y795 VanDerWaalsContact CG2-CE2 3.47Å; V778-A798 HydrophobicContact CB-CB 4.23Å; V778-A798 HydrophobicContact CG2-CB 3.75Å; V778-K799 HydrophobicContact CG1-CB 4.42Å; V778-K799 HydrophobicContact CG1-CG 4.45Å
779	T	94.8	Very high	90.5	Very high	15 Å²	15	76.5 Å²	76.5	9%	0.092	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.6	170.3	-53.4	0	0	0	0	108.7	S766 K787 F788 K789	S766-T779 WeakPolarHBondContact CB-O 3.49Å; S766-T779 PolarHBondContact N-O 3.1Å; S766-T779 PolarHBondContact OG-N 3.31Å; S766-T779 PolarHBondContact OG-O 3.32Å; T779-K787 HydrophobicContact CG2-CB 3.85Å; T779-K787 HydrophobicContact CG2-CD 4.5Å; T779-F788 CarbonylContact C-O 3.59Å; T779-F788 WeakPolarHBondContact CA-O 3.36Å; T779-K789 HydrophobicContact CG2-CG 4.13Å
780	V	95.5	Very high	90.5	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.2	162.8	67.2	0	0	0	0	109.1	L755 A763 F765 V782 K787 F788 A802 A806	L755-V780 HydrophobicContact CD2-CG1 4.2Å; L755-V780 HydrophobicContact CD2-CG2 3.9Å; A763-V780 HydrophobicContact CB-CG2 4.38Å; F765-V780 HydrophobicContact CD1-CB 3.64Å; F765-V780 HydrophobicContact CD1-CG2 3.79Å; F765-V780 HydrophobicContact CD2-CG2 4.13Å; F765-V780 HydrophobicContact CE1-CB 3.66Å; F765-V780 HydrophobicContact CE1-CG1 4.37Å; F765-V780 HydrophobicContact CE1-CG2 3.72Å; F765-V780 HydrophobicContact CE2-CG2 4.06Å; F765-V780 HydrophobicContact CG-CB 4.28Å; F765-V780 HydrophobicContact CG-CG2 4.01Å; F765-V780 HydrophobicContact CZ-CB 4.3Å; F765-V780 HydrophobicContact CZ-CG2 3.86Å; V780-V782 HydrophobicContact CG2-CG2 4.33Å; V780-K787 CarbonylContact O-C 3.05Å; V780-K787 WeakPolarHBondContact O-CA 3.42Å; V780-F788 HydrophobicContact CG1-CB 3.92Å; V780-F788 HydrophobicContact CG1-CD2 4.36Å; V780-F788 PolarHBondContact N-O 2.64Å; V780-F788 PolarHBondContact O-N 3.36Å; V780-A802 HydrophobicContact CB-CB 4.43Å; V780-A802 HydrophobicContact CG1-CB 4.08Å; V780-A802 WeakPolarHBondContact CG1-O 3.44Å; V780-A806 HydrophobicContact CG1-CB 3.86Å
781	E	94.8	Very high	90.4	Very high	87 Å²	87	64.1 Å²	64.1	41%	0.407	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.1	172.6	176	158.3	-148.4	0	0	108.3	A763 K764 G786 K787	A763-E781 CarbonylContact C-O 3.58Å; A763-E781 WeakPolarHBondContact CA-O 3.48Å; K764-E781 PolarHBondContact N-O 3.11Å; K764-E781 PolarHBondContact O-N 3.25Å; E781-G786 WeakPolarHBondContact CA-O 3.3Å; E781-K787 HydrophobicContact CB-CD 4.49Å; E781-K787 HydrophobicContact CB-CG 4.13Å; E781-K787 HydrophobicContact CG-CG 4.13Å; E781-K787 WeakPolarHBondContact OE1-CE 3.45Å; E781-K787 IonicContact OE1-NZ 2.64Å; E781-K787 PolarHBondContact OE1-NZ 3.48Å; E781-K787 WeakPolarHBondContact OE2-CE 3.33Å; E781-K787 IonicContact OE2-NZ 2.7Å; E781-K787 PolarHBondContact OE2-NZ 2.87Å
782	V	92.8	Very high	90.1	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.8	175.3	-177.6	0	0	0	0	107.2	L755 E759 T762 A763 V780 G784 K785 G786 F788 A806	L755-V782 HydrophobicContact CD1-CG2 4.25Å; L755-V782 HydrophobicContact CD2-CG2 4.48Å; E759-V782 HydrophobicContact CB-CG1 4.33Å; E759-V782 HydrophobicContact CG-CG1 3.97Å; T762-V782 WeakPolarHBondContact O-CA 3.49Å; A763-V782 HydrophobicContact CB-CG2 4.01Å; V780-V782 HydrophobicContact CG2-CG2 4.33Å; V782-G784 PolarHBondContact O-N 2.94Å; V782-K785 HydrophobicContact CB-CB 3.99Å; V782-K785 HydrophobicContact CG1-CB 3.87Å; V782-K785 HydrophobicContact CG1-CG 3.91Å; V782-K785 PolarHBondContact O-N 3.17Å; V782-G786 PolarHBondContact N-O 2.98Å; V782-G786 PolarHBondContact O-N 3.38Å; V782-F788 HydrophobicContact CB-CE2 4.34Å; V782-F788 HydrophobicContact CG2-CD2 4.35Å; V782-F788 HydrophobicContact CG2-CE2 4.3Å; V782-A806 HydrophobicContact CG2-CB 4.21Å
783	V	88.2	Confident	90	Very high	97 Å²	97	59.7 Å²	59.7	59%	0.588	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	129.3	-176.3	176.9	0	0	0	0	110.2	T762 K785	T762-V783 HydrophobicContact CG2-CB 4Å; T762-V783 HydrophobicContact CG2-CG2 4.46Å; T762-V783 PolarHBondContact O-N 3.12Å; V783-K785 PolarHBondContact O-N 2.75Å
784	G	82.9	Confident	89.9	Confident	82 Å²	82	57.1 Å²	57.1	85%	0.845	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	-3.8	-177.1	0	0	0	0	0	115.9	V782	V782-G784 PolarHBondContact O-N 2.94Å
785	K	85.3	Confident	90.1	Very high	86 Å²	86	58.7 Å²	58.7	37%	0.374	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-22	179.5	-58.4	-72.7	-175.9	170	0	113.9	V782 V783 F788 L810	V782-K785 HydrophobicContact CB-CB 3.99Å; V782-K785 HydrophobicContact CG1-CB 3.87Å; V782-K785 HydrophobicContact CG1-CG 3.91Å; V782-K785 PolarHBondContact O-N 3.17Å; V783-K785 PolarHBondContact O-N 2.75Å; K785-F788 HydrophobicContact CB-CE2 4.35Å; K785-F788 HydrophobicContact CB-CZ 4.48Å; K785-L810 HydrophobicContact CD-CD2 3.89Å; K785-L810 HydrophobicContact CG-CD2 3.78Å
786	G	90.2	Very high	89.7	Confident	33 Å²	33	65.4 Å²	65.4	34%	0.34	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	111.9	-156.6	171.3	0	0	0	0	0	114.2	E781 V782	E781-G786 WeakPolarHBondContact CA-O 3.3Å; V782-G786 PolarHBondContact N-O 2.98Å; V782-G786 PolarHBondContact O-N 3.38Å
787	K	93.7	Very high	89.3	Confident	129 Å²	129	66.8 Å²	66.8	56%	0.561	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.6	-174.3	-57.2	-164.9	-165.6	-134.8	0	111.3	T779 V780 E781	T779-K787 HydrophobicContact CG2-CB 3.85Å; T779-K787 HydrophobicContact CG2-CD 4.5Å; V780-K787 CarbonylContact O-C 3.05Å; V780-K787 WeakPolarHBondContact O-CA 3.42Å; E781-K787 HydrophobicContact CB-CD 4.49Å; E781-K787 HydrophobicContact CB-CG 4.13Å; E781-K787 HydrophobicContact CG-CG 4.13Å; E781-K787 WeakPolarHBondContact OE1-CE 3.45Å; E781-K787 IonicContact OE1-NZ 2.64Å; E781-K787 PolarHBondContact OE1-NZ 3.48Å; E781-K787 WeakPolarHBondContact OE2-CE 3.33Å; E781-K787 IonicContact OE2-NZ 2.7Å; E781-K787 PolarHBondContact OE2-NZ 2.87Å
788	F	93.9	Very high	89.1	Confident	31 Å²	31	62.6 Å²	62.6	14%	0.136	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.6	-177.3	-53.2	-85.3	0	0	0	109.8	T779 V780 V782 K785 R805 A806	T779-F788 CarbonylContact C-O 3.59Å; T779-F788 WeakPolarHBondContact CA-O 3.36Å; V780-F788 HydrophobicContact CG1-CB 3.92Å; V780-F788 HydrophobicContact CG1-CD2 4.36Å; V780-F788 PolarHBondContact N-O 2.64Å; V780-F788 PolarHBondContact O-N 3.36Å; V782-F788 HydrophobicContact CB-CE2 4.34Å; V782-F788 HydrophobicContact CG2-CD2 4.35Å; V782-F788 HydrophobicContact CG2-CE2 4.3Å; K785-F788 HydrophobicContact CB-CE2 4.35Å; K785-F788 HydrophobicContact CB-CZ 4.48Å; F788-R805 HydrophobicContact CB-CB 4.3Å; F788-A806 HydrophobicContact CB-CB 4.13Å; F788-A806 HydrophobicContact CD1-CB 4.5Å; F788-A806 HydrophobicContact CD2-CB 3.47Å; F788-A806 VanDerWaalsContact CD2-CB 3.47Å; F788-A806 HydrophobicContact CE2-CB 3.99Å; F788-A806 HydrophobicContact CG-CB 3.76Å
789	K	93.1	Very high	88.9	Confident	116 Å²	116	65.1 Å²	65.1	50%	0.504	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.7	-176.4	-63.7	-169.8	175.2	-172.3	0	111.1	T779 R805	T779-K789 HydrophobicContact CG2-CG 4.13Å; K789-R805 WeakPolarHBondContact O-CD 3.22Å
790	G	90	Very high	88.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.1	168	0	0	0	0	0	110.5	R777 V778 A798	R777-G790 CarbonylContact C-O 3.58Å; R777-G790 VanDerWaalsContact CA-O 3.3Å; R777-G790 WeakPolarHBondContact CA-O 3.44Å; V778-G790 PolarHBondContact N-O 3.22Å; V778-G790 PolarHBondContact O-N 2.81Å; G790-A798 WeakPolarHBondContact CA-O 3.02Å
791	V	88.3	Confident	88	Confident	53 Å²	53	66 Å²	66	32%	0.321	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.5	173.6	-177.9	0	0	0	0	107.2	K775 V776 R777	K775-V791 HydrophobicContact CB-CG1 3.79Å; K775-V791 HydrophobicContact CD-CG1 4.14Å; V776-V791 CarbonylContact O-C 3.55Å; V776-V791 VanDerWaalsContact O-CA 3.26Å; V776-V791 WeakPolarHBondContact O-CA 3.43Å; R777-V791 HydrophobicContact CB-CG2 4.13Å; R777-V791 HydrophobicContact CG-CG2 4.13Å
792	G	84.3	Confident	87.9	Confident	10 Å²	10	61.8 Å²	61.8	10%	0.103	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	170	174.8	0	0	0	0	0	112.8	V776 S794	V776-G792 PolarHBondContact N-O 2.77Å; V776-G792 PolarHBondContact O-N 3.15Å; G792-S794 PolarHBondContact O-N 3.23Å
793	R	82.9	Confident	87.8	Confident	169 Å²	169	61.8 Å²	61.8	64%	0.638	32%	0.316	S	S	*	.	S	Bend	trans	-65.8	-5.8	-179	61.7	-175.2	176.4	-111.5	3.9	115.3	E698 I797	E698-R793 PolarHBondContact O-NH1 3.23Å; R793-I797 HydrophobicContact CG-CD1 3.59Å
794	S	83.8	Confident	87.7	Confident	45 Å²	45	60.2 Å²	60.2	32%	0.315	30%	0.299	S	S	.	.	S	Bend	trans	-152.5	161.7	172.7	75.3	0	0	0	0	111.9	G792 R796 I797 A798	G792-S794 PolarHBondContact O-N 3.23Å; S794-R796 VanDerWaalsContact C-N 3.27Å; S794-R796 PolarHBondContact O-N 3.49Å; S794-I797 PolarHBondContact O-N 3Å; S794-I797 PolarHBondContact OG-N 3.03Å; S794-A798 WeakPolarHBondContact O-CB 3.27Å; S794-A798 PolarHBondContact O-N 3.24Å
795	Y	86.5	Confident	88	Confident	94 Å²	94	59.9 Å²	59.9	37%	0.369	27%	0.272	S	S	.	.	H	α-helix	trans	-55.8	-39	176.2	178	-107.6	0	0	0	112.8	A768 V776 V778 I797 A798 K799	A768-Y795 HydrophobicContact CB-CD2 3.68Å; A768-Y795 HydrophobicContact CB-CE2 4.22Å; V776-Y795 HydrophobicContact CG1-CD2 4.48Å; V778-Y795 HydrophobicContact CG1-CE2 4.31Å; V778-Y795 HydrophobicContact CG2-CD2 3.4Å; V778-Y795 VanDerWaalsContact CG2-CD2 3.4Å; V778-Y795 HydrophobicContact CG2-CE2 3.47Å; V778-Y795 VanDerWaalsContact CG2-CE2 3.47Å; Y795-I797 PolarHBondContact O-N 2.99Å; Y795-A798 PolarHBondContact O-N 2.63Å; Y795-K799 HydrophobicContact CE1-CD 4.01Å; Y795-K799 WeakPolarHBondContact O-CB 3.47Å; Y795-K799 PolarHBondContact O-N 2.99Å
796	R	82.1	Confident	88.2	Confident	215 Å²	215	55.8 Å²	55.8	81%	0.811	26%	0.255	S	S	*	.	H	α-helix	trans	-62.7	-43	178.4	-173	177.4	179.6	-176	-0.3	111.8	S794 S800	S794-R796 VanDerWaalsContact C-N 3.27Å; S794-R796 PolarHBondContact O-N 3.49Å; R796-S800 WeakPolarHBondContact O-CB 3.41Å; R796-S800 PolarHBondContact O-N 3.18Å; R796-S800 VanDerWaalsContact O-N 3.11Å
797	I	84.5	Confident	88.1	Confident	52 Å²	52	54.7 Å²	54.7	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-69.3	-49.8	178.5	-63.3	167.5	0	0	0	109.9	R793 S794 Y795 K799 S800 A801	R793-I797 HydrophobicContact CG-CD1 3.59Å; S794-I797 PolarHBondContact O-N 3Å; S794-I797 PolarHBondContact OG-N 3.03Å; Y795-I797 PolarHBondContact O-N 2.99Å; I797-K799 VanDerWaalsContact C-N 3.32Å; I797-K799 PolarHBondContact O-N 3.08Å; I797-S800 WeakPolarHBondContact O-CB 3.44Å; I797-S800 PolarHBondContact O-N 2.82Å; I797-S800 VanDerWaalsContact O-N 3.09Å; I797-A801 PolarHBondContact O-N 2.79Å
798	A	88.1	Confident	87.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.7	-41.1	178.9	0	0	0	0	0	112.6	V776 V778 G790 S794 Y795 A801 A802	V776-A798 HydrophobicContact CB-CB 4.41Å; V776-A798 HydrophobicContact CG1-CB 4.27Å; V776-A798 VanDerWaalsContact O-CB 3.26Å; V776-A798 WeakPolarHBondContact O-CB 3.11Å; V778-A798 HydrophobicContact CB-CB 4.23Å; V778-A798 HydrophobicContact CG2-CB 3.75Å; G790-A798 WeakPolarHBondContact CA-O 3.02Å; S794-A798 WeakPolarHBondContact O-CB 3.27Å; S794-A798 PolarHBondContact O-N 3.24Å; Y795-A798 PolarHBondContact O-N 2.63Å; A798-A801 PolarHBondContact O-N 2.68Å; A798-A802 WeakPolarHBondContact O-CB 3.19Å; A798-A802 PolarHBondContact O-N 3.42Å
799	K	90.6	Very high	87.3	Confident	53 Å²	53	53.1 Å²	53.1	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-41.3	174.7	-165.9	178.3	-172.5	170.9	0	112	V752 F765 V778 Y795 I797 A802 A803	V752-K799 HydrophobicContact CG1-CD 4.35Å; V752-K799 HydrophobicContact CG2-CD 4.44Å; V752-K799 HydrophobicContact CG2-CG 4Å; F765-K799 HydrophobicContact CD1-CD 4.19Å; F765-K799 HydrophobicContact CD1-CG 3.48Å; F765-K799 VanDerWaalsContact CD1-CG 3.48Å; F765-K799 VanDerWaalsContact CD2-CE 3.48Å; F765-K799 HydrophobicContact CE1-CD 4.38Å; F765-K799 HydrophobicContact CE1-CG 3.49Å; F765-K799 VanDerWaalsContact CE1-CG 3.49Å; F765-K799 HydrophobicContact CG-CD 4.37Å; F765-K799 VanDerWaalsContact CG-CE 3.4Å; F765-K799 HydrophobicContact CG-CG 4.14Å; F765-K799 HydrophobicContact CZ-CG 4.18Å; V778-K799 HydrophobicContact CG1-CB 4.42Å; V778-K799 HydrophobicContact CG1-CG 4.45Å; Y795-K799 HydrophobicContact CE1-CD 4.01Å; Y795-K799 WeakPolarHBondContact O-CB 3.47Å; Y795-K799 PolarHBondContact O-N 2.99Å; I797-K799 VanDerWaalsContact C-N 3.32Å; I797-K799 PolarHBondContact O-N 3.08Å; K799-A802 PolarHBondContact O-N 3.2Å; K799-A803 WeakPolarHBondContact O-CB 3.24Å; K799-A803 PolarHBondContact O-N 2.75Å
800	S	85.9	Confident	86.9	Confident	31 Å²	31	48 Å²	48	22%	0.217	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-41.8	175.5	-172.7	0	0	0	0	112.6	R796 I797 A803 R804	R796-S800 WeakPolarHBondContact O-CB 3.41Å; R796-S800 PolarHBondContact O-N 3.18Å; R796-S800 VanDerWaalsContact O-N 3.11Å; I797-S800 WeakPolarHBondContact O-CB 3.44Å; I797-S800 PolarHBondContact O-N 2.82Å; I797-S800 VanDerWaalsContact O-N 3.09Å; S800-A803 PolarHBondContact O-N 2.76Å; S800-R804 PolarHBondContact O-N 3.41Å
801	A	87.1	Confident	86.6	Confident	1 Å²	1	53 Å²	53	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-38.2	175.8	0	0	0	0	0	112.6	I797 A798 R805	I797-A801 PolarHBondContact O-N 2.79Å; A798-A801 PolarHBondContact O-N 2.68Å; A801-R805 PolarHBondContact O-N 3.34Å
802	A	91.2	Very high	86.2	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-44.8	173	0	0	0	0	0	110.9	V780 A798 K799 R805 A806	V780-A802 HydrophobicContact CB-CB 4.43Å; V780-A802 HydrophobicContact CG1-CB 4.08Å; V780-A802 WeakPolarHBondContact CG1-O 3.44Å; A798-A802 WeakPolarHBondContact O-CB 3.19Å; A798-A802 PolarHBondContact O-N 3.42Å; K799-A802 PolarHBondContact O-N 3.2Å; A802-R805 PolarHBondContact O-N 3.48Å; A802-A806 PolarHBondContact O-N 3.29Å; A802-A806 VanDerWaalsContact O-N 3.13Å
803	A	90.8	Very high	85.4	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.6	-43.2	178.5	0	0	0	0	0	112.7	P751 V752 L755 F765 K799 S800 R805 A806 L807	P751-A803 HydrophobicContact CB-CB 4.14Å; P751-A803 WeakPolarHBondContact O-CB 3.36Å; V752-A803 HydrophobicContact CG2-CB 4.01Å; L755-A803 HydrophobicContact CB-CB 4.45Å; L755-A803 HydrophobicContact CD2-CB 4Å; F765-A803 HydrophobicContact CE1-CB 4.24Å; F765-A803 HydrophobicContact CZ-CB 4.11Å; K799-A803 WeakPolarHBondContact O-CB 3.24Å; K799-A803 PolarHBondContact O-N 2.75Å; S800-A803 PolarHBondContact O-N 2.76Å; A803-R805 VanDerWaalsContact C-N 3.35Å; A803-R805 PolarHBondContact O-N 3.12Å; A803-A806 WeakPolarHBondContact O-CB 3.23Å; A803-A806 PolarHBondContact O-N 2.76Å; A803-L807 WeakPolarHBondContact O-CG 3.44Å; A803-L807 PolarHBondContact O-N 2.96Å
804	R	87.4	Confident	84.5	Confident	65 Å²	65	56.8 Å²	56.8	25%	0.245	27%	0.272	C	S	.	.	H	α-helix	trans	-56.2	-45.2	174.2	-79.9	-175	-74.6	129.9	-2	112.5	E698 P751 S800 A806 L807 R808	E698-R804 IonicContact OE1-CZ 3.68Å; E698-R804 IonicContact OE1-NH1 2.84Å; E698-R804 PolarHBondContact OE1-NH1 3.19Å; E698-R804 IonicContact OE1-NH2 3.63Å; E698-R804 PolarHBondContact OE1-NH2 3.02Å; E698-R804 IonicContact OE2-CZ 3.62Å; E698-R804 IonicContact OE2-NH2 3.9Å; E698-R804 PolarHBondContact OE2-NH2 3.32Å; P751-R804 HydrophobicContact CB-CG 3.63Å; P751-R804 HydrophobicContact CG-CG 3.6Å; S800-R804 PolarHBondContact O-N 3.41Å; R804-A806 PolarHBondContact O-N 2.94Å; R804-L807 PolarHBondContact O-N 3.15Å; R804-R808 WeakPolarHBondContact O-CG 3.42Å; R804-R808 PolarHBondContact O-N 2.92Å
805	R	88.1	Confident	82.5	Confident	75 Å²	75	60.2 Å²	60.2	28%	0.283	29%	0.294	S	S	.	.	H	α-helix	trans	-65.3	-36.9	177.8	-71.1	-176	175.9	96.9	-3.2	112.3	E695 F788 K789 A801 A802 A803 S809	E695-R805 IonicContact OE1-NH2 3.65Å; E695-R805 PolarHBondContact OE1-NH2 3.07Å; F788-R805 HydrophobicContact CB-CB 4.3Å; K789-R805 WeakPolarHBondContact O-CD 3.22Å; A801-R805 PolarHBondContact O-N 3.34Å; A802-R805 PolarHBondContact O-N 3.48Å; A803-R805 VanDerWaalsContact C-N 3.35Å; A803-R805 PolarHBondContact O-N 3.12Å; R805-S809 PolarHBondContact O-N 3.14Å
806	A	90.1	Very high	80.2	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.1	-45.8	171.7	0	0	0	0	0	112.4	L755 V780 V782 F788 A802 A803 R804 R808 S809 L810	L755-A806 HydrophobicContact CD1-CB 4.02Å; L755-A806 HydrophobicContact CD2-CB 3.84Å; V780-A806 HydrophobicContact CG1-CB 3.86Å; V782-A806 HydrophobicContact CG2-CB 4.21Å; F788-A806 HydrophobicContact CB-CB 4.13Å; F788-A806 HydrophobicContact CD1-CB 4.5Å; F788-A806 HydrophobicContact CD2-CB 3.47Å; F788-A806 VanDerWaalsContact CD2-CB 3.47Å; F788-A806 HydrophobicContact CE2-CB 3.99Å; F788-A806 HydrophobicContact CG-CB 3.76Å; A802-A806 PolarHBondContact O-N 3.29Å; A802-A806 VanDerWaalsContact O-N 3.13Å; A803-A806 WeakPolarHBondContact O-CB 3.23Å; A803-A806 PolarHBondContact O-N 2.76Å; R804-A806 PolarHBondContact O-N 2.94Å; A806-R808 PolarHBondContact O-N 3.24Å; A806-S809 WeakPolarHBondContact O-CB 3.33Å; A806-S809 PolarHBondContact O-N 2.91Å; A806-S809 VanDerWaalsContact O-N 3.15Å; A806-L810 WeakPolarHBondContact O-CG 3.3Å; A806-L810 PolarHBondContact O-N 2.73Å
807	L	88.5	Confident	78	Confident	9 Å²	9	60.6 Å²	60.6	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-59.6	-44.1	176.7	-72.5	172.6	0	0	0	112.7	P751 E754 L755 M758 A803 R804 S809 L810 K811	P751-L807 HydrophobicContact CB-CD1 3.86Å; P751-L807 WeakPolarHBondContact O-CD1 3.05Å; E754-L807 HydrophobicContact CB-CD1 4.15Å; E754-L807 HydrophobicContact CB-CD2 4.25Å; E754-L807 HydrophobicContact CG-CD1 4.36Å; E754-L807 HydrophobicContact CG-CD2 3.95Å; E754-L807 WeakPolarHBondContact OE2-CD1 3.3Å; L755-L807 HydrophobicContact CB-CD2 4.05Å; L755-L807 HydrophobicContact CB-CG 4.26Å; L755-L807 HydrophobicContact CD1-CD2 4.28Å; M758-L807 HydrophobicContact CE-CD2 3.22Å; A803-L807 WeakPolarHBondContact O-CG 3.44Å; A803-L807 PolarHBondContact O-N 2.96Å; R804-L807 PolarHBondContact O-N 3.15Å; L807-S809 VanDerWaalsContact C-N 3.29Å; L807-S809 PolarHBondContact O-N 3.1Å; L807-L810 PolarHBondContact O-N 3Å; L807-K811 WeakPolarHBondContact O-CB 3.43Å; L807-K811 WeakPolarHBondContact O-CG 3.43Å; L807-K811 PolarHBondContact O-N 3.06Å
808	R	85.4	Confident	75.7	Confident	91 Å²	91	63 Å²	63	34%	0.343	34%	0.336	S	S	.	.	H	α-helix	trans	-57.4	-44	174.4	-70.1	-150.2	-116.2	123.1	-12.2	110.6	E691 E694 R804 A806 A812	E691-R808 IonicContact OE1-CZ 3.65Å; E691-R808 IonicContact OE1-NH1 3.04Å; E691-R808 PolarHBondContact OE1-NH1 3.26Å; E691-R808 IonicContact OE1-NH2 2.83Å; E694-R808 IonicContact OE1-CZ 3.15Å; E694-R808 IonicContact OE1-NE 2.87Å; E694-R808 IonicContact OE1-NH2 3.72Å; E694-R808 IonicContact OE2-CZ 2.66Å; E694-R808 IonicContact OE2-NE 3.29Å; E694-R808 IonicContact OE2-NH2 3.7Å; E694-R808 PolarHBondContact OE2-NH2 3.39Å; R804-R808 WeakPolarHBondContact O-CG 3.42Å; R804-R808 PolarHBondContact O-N 2.92Å; A806-R808 PolarHBondContact O-N 3.24Å; R808-A812 VanDerWaalsContact O-CB 3.24Å; R808-A812 WeakPolarHBondContact O-CB 3.43Å; R808-A812 PolarHBondContact O-N 3.05Å
809	S	85.8	Confident	73.4	Confident	36 Å²	36	71 Å²	71	25%	0.252	38%	0.378	S	S	.	.	H	α-helix	trans	-67.6	-37.1	177.5	-169.9	0	0	0	0	113.7	R805 A806 L807 N813	R805-S809 PolarHBondContact O-N 3.14Å; A806-S809 WeakPolarHBondContact O-CB 3.33Å; A806-S809 PolarHBondContact O-N 2.91Å; A806-S809 VanDerWaalsContact O-N 3.15Å; L807-S809 VanDerWaalsContact C-N 3.29Å; L807-S809 PolarHBondContact O-N 3.1Å; S809-N813 PolarHBondContact O-N 2.93Å; S809-N813 PolarHBondContact O-ND2 3.03Å
810	L	84.8	Confident	70.6	Confident	9 Å²	9	77.4 Å²	77.4	5%	0.047	43%	0.43	C	S	.	.	H	α-helix	trans	-64.2	-51.7	174.7	-74	171	0	0	0	111.4	L755 M758 E759 K785 A806 L807 A812 N813 Q814	L755-L810 HydrophobicContact CD1-CD1 3.44Å; L755-L810 VanDerWaalsContact CD1-CD1 3.44Å; M758-L810 HydrophobicContact CE-CB 4.47Å; M758-L810 HydrophobicContact CE-CD1 3.94Å; E759-L810 HydrophobicContact CG-CD1 3.92Å; E759-L810 HydrophobicContact CG-CD2 4.36Å; K785-L810 HydrophobicContact CD-CD2 3.89Å; K785-L810 HydrophobicContact CG-CD2 3.78Å; A806-L810 WeakPolarHBondContact O-CG 3.3Å; A806-L810 PolarHBondContact O-N 2.73Å; L807-L810 PolarHBondContact O-N 3Å; L810-A812 PolarHBondContact O-N 3.29Å; L810-N813 PolarHBondContact O-N 3.23Å; L810-N813 VanDerWaalsContact O-N 3.11Å; L810-Q814 PolarHBondContact O-N 2.92Å
811	K	83.7	Confident	69.8	Low	105 Å²	105	79.8 Å²	79.8	46%	0.457	44%	0.44	S	S	.	.	H	α-helix	trans	-64.3	-39.4	-178.5	-68.9	177.8	-179.3	-179.9	0	112.3	E754 L807 N813 Q814	E754-K811 WeakPolarHBondContact OE1-CE 3.44Å; E754-K811 IonicContact OE1-NZ 3.69Å; E754-K811 PolarHBondContact OE1-NZ 3.05Å; E754-K811 IonicContact OE2-NZ 3.95Å; L807-K811 WeakPolarHBondContact O-CB 3.43Å; L807-K811 WeakPolarHBondContact O-CG 3.43Å; L807-K811 PolarHBondContact O-N 3.06Å; K811-N813 PolarHBondContact O-N 3.22Å; K811-N813 VanDerWaalsContact O-N 3.15Å; K811-Q814 PolarHBondContact O-N 2.98Å
812	A	79.8	Confident	68.9	Low	85 Å²	85	83.9 Å²	83.9	70%	0.702	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.5	175.1	0	0	0	0	0	114.4	R808 L810	R808-A812 VanDerWaalsContact O-CB 3.24Å; R808-A812 WeakPolarHBondContact O-CB 3.43Å; R808-A812 PolarHBondContact O-N 3.05Å; L810-A812 PolarHBondContact O-N 3.29Å
813	N	66.7	Low	67.7	Low	105 Å²	105	88.6 Å²	88.6	56%	0.561	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	10.2	178.6	-77	-76	0	0	0	113.5	S809 L810 K811	S809-N813 PolarHBondContact O-N 2.93Å; S809-N813 PolarHBondContact O-ND2 3.03Å; L810-N813 PolarHBondContact O-N 3.23Å; L810-N813 VanDerWaalsContact O-N 3.11Å; K811-N813 PolarHBondContact O-N 3.22Å; K811-N813 VanDerWaalsContact O-N 3.15Å
814	Q	63	Low	66.3	Low	121 Å²	121	93.8 Å²	93.8	57%	0.565	52%	0.517	S	S	*	.	S	Bend	trans	-85.1	131.4	170.4	-72.3	-178.2	-15.2	0	0	110.1	L810 K811 Q816	L810-Q814 PolarHBondContact O-N 2.92Å; K811-Q814 PolarHBondContact O-N 2.98Å; Q814-Q816 PolarHBondContact O-N 3.31Å
815	P	43.4	Very low	65	Low	117 Å²	117	95.6 Å²	95.6	76%	0.76	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-67.2	126.7	171.3	28.6	-32.7	0	0	0	109	V817	P815-V817 PolarHBondContact O-N 2.65Å; P815-V817 VanDerWaalsContact O-N 3.15Å
816	Q	37.7	Very low	63.5	Low	194 Å²	194	96.9 Å²	96.9	91%	0.907	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-64.5	118	175.4	-70.9	-169.1	-6.3	0	0	109.9	Q814 P818	Q814-Q816 PolarHBondContact O-N 3.31Å; Q816-P818 WeakPolarHBondContact O-CD 3.34Å
817	V	35.6	Very low	61.6	Low	124 Å²	124	103.9 Å²	103.9	75%	0.752	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-71.6	121.9	168.7	-177.1	0	0	0	0	107.4	P815 N819	P815-V817 PolarHBondContact O-N 2.65Å; P815-V817 VanDerWaalsContact O-N 3.15Å; V817-N819 PolarHBondContact O-N 3.14Å
818	P	37	Very low	59.5	Low	103 Å²	103	111.2 Å²	111.2	67%	0.669	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-71	119.7	178.5	28.1	-32.9	0	0	0	109.9	Q816 S820	Q816-P818 WeakPolarHBondContact O-CD 3.34Å; P818-S820 PolarHBondContact O-N 3.02Å; P818-S820 PolarHBondContact O-OG 3.09Å
819	N	37.9	Very low	57.3	Low	168 Å²	168	112.8 Å²	112.8	90%	0.898	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-55.4	133.1	170.4	-72.8	-15	0	0	0	109.7	V817	V817-N819 PolarHBondContact O-N 3.14Å
820	S	32.8	Very low	54.8	Low	187 Å²	187	119.8 Å²	119.8	100%	1.308	69%	0.693	S	S	*	*			trans	-126.5	0	-179.8	-57.8	0	0	0	0	109.8	P818	P818-S820 PolarHBondContact O-N 3.02Å; P818-S820 PolarHBondContact O-OG 3.09Å

Retrieved 820 of 820 residues in 478.3 ms (Link to these results)

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