A0A096M1F5_POEFO Loading...

Dynamin-like GTPase OPA1, mitochondrial

AlphaFold DB , UniProt , Accession A0A096M1F5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,031 aa.

						>A0A096M1F5_POEFO|A0A096M1F5
MLRVGSSAACVACRSLVSNYMGVKFRIPLQKLHPLSRAIHHRYSGNNNPHRTPHRTAARYFTSMSRLPMRPVKPPPGSGGHRHQQQRNFWVARLAARLLRLRYILLGTAVGGGYTAKKTYEEWKDMLPDFSEYNWVIPDFVWELSENIDLDKLAKALPEMEEIAKLLPDFEKIGENFTFLKGLLSSGVSLGSEVKGVSGLHLLENSGDPALKATDSSTAAAHDVSDKQYKKGLLGELIFIQQQIQRHEEEVRRAAAANSAHTSSQERAANHNPSTQTRKSSDKEKIDQLQEELLRTQLKYQRMLERLEKENKELRKVVLQKDDKGIHQRKVKKSLIDLYSEVLDILSDYDSNYNTQDHLPRVVVVGDQSAGKTSVLEMIAQARIFPRGSGEMMTRSPVKVTLSEGPHHVAMFKDSGREFDLTKDEDLAALRHEIELRMRKSVKEGQTVSSETISLSVKGPGIQRMVLVDLPGVISTVTTGMASDTKETIFSMSKAYMLNPNAIILCIQDGSVDAERSIVTDLVSQMDPQGRRTIFVLTKVDLAEKNLASPSRIQQIVEGRLFPMKALGYFAVVTGKGGTGESIDAIKDYEEDFFQNSRLLRDGMLKAHQVTTKNLSLAVSDCFWKMVRESVEQQADVFKASRFNLETEWKNNYPRLRELDRNELFEKAKNEILDEVISLSQVTPQLWESILQKKLWERVSTHVIENIYLPAAQTMDSGTFNTTVDIKLKQWTDKQLPHKALEVAWETLQEEFARFMAEYKGKDQDDIFDKLKEAVKDESIKRHKWNERAMDSLRVIQHNALEDRSITDKPQWDAAIQFMEETLQSRLKDNESVIKDMVGPDWKERWLSWVNRTPEQHIRNETKKELDRLLKLHDDHTAYLASDEVTTVRKNLEGRGVEVDPVLIKDTWHQLYRRHFLQKALTHCNLCKRGFYYYQRHFVDSELECNDVVLFWRIQRMLVITANTLRQQLTNTEVRRLEKNVKEVLDDFGEDSEKKAQLITGRRVQLAEDLKKVREIQEKLESFIEALHKEK
					

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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	30.4	Very low	28	Very low	241 Å²	241	137.3 Å²	137.3	100%	1.187	84%	0.844	S	S	*	*				0	161.9	0	-79.1	170.7	166.2	0	0	108.9
2	L	28.3	Very low	27.8	Very low	153 Å²	153	133.3 Å²	133.3	80%	0.801	84%	0.836	S	S	*	*			trans	-3.1	143.2	157.9	-56.9	169.1	0	0	0	117.1
3	R	29.6	Very low	27.7	Very low	217 Å²	217	132.7 Å²	132.7	82%	0.819	84%	0.836	S	S	*	*			cis	-172.8	173	24.8	-141.5	174	-165.8	175.4	3.8	112.8
4	V	29.9	Very low	27.6	Very low	145 Å²	145	140.2 Å²	140.2	88%	0.879	84%	0.841	S	S	*	*			trans	73.2	141.6	167.9	-166.8	0	0	0	0	115
5	G	28.8	Very low	27.5	Very low	71 Å²	71	138.1 Å²	138.1	73%	0.732	84%	0.835	S	S	*	*			cis	-177	165	-5.1	0	0	0	0	0	111.4
6	S	30.5	Very low	27.4	Very low	122 Å²	122	139.6 Å²	139.6	85%	0.853	84%	0.836	S	S	*	*			trans	-111.9	172.1	-163.3	55.7	0	0	0	0	116
7	S	28.9	Very low	27.4	Very low	124 Å²	124	139.9 Å²	139.9	87%	0.867	84%	0.839	S	S	*	*			trans	97.6	140.4	178.1	-149	0	0	0	0	113.6
8	A	26	Very low	27.4	Very low	95 Å²	95	137 Å²	137	79%	0.785	83%	0.826	S	S	*	*			cis	-137.8	172.7	12.4	0	0	0	0	0	114.8
9	A	25.4	Very low	27.4	Very low	93 Å²	93	136.4 Å²	136.4	77%	0.769	82%	0.818	S	S	*	*			trans	-68.4	160.2	-168.3	0	0	0	0	0	118.9
10	C	25	Very low	27.5	Very low	117 Å²	117	139.5 Å²	139.5	79%	0.791	82%	0.816	S	S	*	*				126.9	147.5	110.5	-134	0	0	0	0	119
11	V	25.8	Very low	27.4	Very low	132 Å²	132	141 Å²	141	80%	0.8	82%	0.817	S	S	*	*			trans	72	142.8	162.8	-169.6	0	0	0	0	118.7
12	A	25.3	Very low	27.1	Very low	90 Å²	90	133.2 Å²	133.2	74%	0.744	80%	0.799	S	S	*	*			trans	67.3	133	-179.4	0	0	0	0	0	115.7
13	C	26.7	Very low	27	Very low	125 Å²	125	132 Å²	132	85%	0.845	80%	0.797	S	S	*	*			cis	-118.7	153.1	4.6	-68.1	0	0	0	0	113.4
14	R	25.9	Very low	26.8	Very low	238 Å²	238	130 Å²	130	90%	0.898	80%	0.795	S	S	*	*			trans	-120.1	151.9	158.4	-100.2	-172.9	172.8	-171.5	-0.9	107.7
15	S	25.8	Very low	26.5	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	79%	0.789	S	S	*	*			trans	65.3	146.4	-177.3	80.2	0	0	0	0	113.9
16	L	26	Very low	26.4	Very low	163 Å²	163	138.7 Å²	138.7	85%	0.853	79%	0.794	S	S	*	*			cis	-112	169	-7.6	-65	159.1	0	0	0	107.6
17	V	27.7	Very low	26.2	Very low	145 Å²	145	140.3 Å²	140.3	88%	0.879	79%	0.792	S	S	*	*			cis	-150.1	163.1	43.8	166.3	0	0	0	0	109.5
18	S	27.4	Very low	26.9	Very low	87 Å²	87	139.7 Å²	139.7	61%	0.608	79%	0.785	S	S	*	*			trans	-120.3	126	-174.1	139.4	0	0	0	0	113.2
19	N	27.9	Very low	27	Very low	125 Å²	125	141.8 Å²	141.8	67%	0.668	78%	0.782	S	S	*	*			trans	61.7	155.5	147.3	-59.8	-31.8	0	0	0	117.7
20	Y	28.8	Very low	27.2	Very low	199 Å²	199	144.9 Å²	144.9	78%	0.78	78%	0.781	S	S	*	*			cis	-158.4	158.8	-3.3	-111.4	-31.7	0	0	0	106.3
21	M	25.3	Very low	27.3	Very low	171 Å²	171	148.1 Å²	148.1	84%	0.842	78%	0.781	S	S	*	*			cis	-135.9	178.9	0.9	-58	-173.5	-175.9	0	0	110
22	G	23.5	Very low	27.4	Very low	78 Å²	78	148.6 Å²	148.6	80%	0.804	78%	0.779	S	S	*	*			trans	-156.7	135.2	167.4	0	0	0	0	0	111.9
23	V	26.2	Very low	27.4	Very low	126 Å²	126	152.5 Å²	152.5	76%	0.764	78%	0.781	S	S	*	*			trans	-113	142.9	-170.9	-178.9	0	0	0	0	110.8
24	K	25.3	Very low	28.2	Very low	177 Å²	177	151.8 Å²	151.8	77%	0.77	78%	0.775	S	S	*	*				165.2	128.8	129.2	-89.4	163.5	-177.3	175.7	0	116.3
25	F	24.5	Very low	28.4	Very low	173 Å²	173	148.1 Å²	148.1	76%	0.759	77%	0.772	S	S	*	*			trans	72	154.9	140.2	-73.1	-142.9	0	0	0	117.2
26	R	27	Very low	28.5	Very low	225 Å²	225	148.1 Å²	148.1	85%	0.849	77%	0.772	S	S	*	*			cis	-145.2	164.1	10.8	-141.9	169.3	-159.1	176.7	6.4	113.3
27	I	26.7	Very low	28.7	Very low	155 Å²	155	152.1 Å²	152.1	80%	0.795	78%	0.776	S	S	*	*			trans	-92.5	148.6	-179.8	-76.9	161.1	0	0	0	109.8
28	P	42	Very low	28.7	Very low	112 Å²	112	149.4 Å²	149.4	73%	0.727	77%	0.769	S	S	*	*				-154.3	148.2	99.5	38	-16.6	0	0	0	121.4
29	L	28.2	Very low	28.8	Very low	138 Å²	138	153.3 Å²	153.3	72%	0.723	78%	0.781	S	S	*	*			trans	87	104.1	139.6	-73.3	164	0	0	0	124.2
30	Q	29.9	Very low	28.9	Very low	159 Å²	159	154.9 Å²	154.9	74%	0.743	78%	0.784	S	S	*	*				60.2	115.2	123.3	-83.3	-175.8	8.6	0	0	123.1
31	K	27.9	Very low	28.9	Very low	184 Å²	184	153.9 Å²	153.9	80%	0.8	79%	0.786	S	S	*	*				179.9	128.9	99.8	-98.5	165	-173.6	175.1	0	115.7
32	L	27.8	Very low	29	Very low	142 Å²	142	157.3 Å²	157.3	74%	0.743	79%	0.79	S	S	*	*			trans	29.8	119	141.5	-57.6	165.2	0	0	0	122.3
33	H	25	Very low	29.3	Very low	173 Å²	173	164.4 Å²	164.4	80%	0.801	79%	0.794	S	S	*	*				46	161.3	129.6	-66.7	-53	0	0	0	123.6
34	P	44.6	Very low	29.5	Very low	109 Å²	109	163.2 Å²	163.2	71%	0.708	79%	0.791	S	S	*	*			cis	-135.7	179.8	-27.5	36.9	-18.2	0	0	0	114.8
35	L	28.3	Very low	29.7	Very low	162 Å²	162	157.9 Å²	157.9	85%	0.848	79%	0.787	S	S	*	*			trans	1.6	130.8	156.6	-58.5	169.3	0	0	0	119.8
36	S	28.2	Very low	30	Very low	107 Å²	107	156.9 Å²	156.9	75%	0.748	79%	0.789	S	S	*	*				167.1	161	95.3	60.1	0	0	0	0	116
37	R	29.8	Very low	30.2	Very low	247 Å²	247	153.3 Å²	153.3	93%	0.932	79%	0.787	S	S	*	*			trans	67.3	144.1	162.6	-72.6	-176.4	172.3	-177.4	-2.2	119.9
38	A	29.1	Very low	30.2	Very low	89 Å²	89	152.6 Å²	152.6	74%	0.736	79%	0.785	S	S	*	*			trans	-104.1	168	171.4	0	0	0	0	0	111
39	I	29.1	Very low	30.4	Very low	168 Å²	168	152.3 Å²	152.3	86%	0.862	78%	0.783	S	S	*	*			trans	-166.6	164.8	132.5	-99.3	154.4	0	0	0	109.4
40	H	30.3	Very low	30.4	Very low	158 Å²	158	153.1 Å²	153.1	73%	0.731	78%	0.783	S	S	*	*			trans	-83.4	172	-162.2	-73	-120	0	0	0	116.7
41	H	29	Very low	30.3	Very low	179 Å²	179	155.9 Å²	155.9	83%	0.829	79%	0.786	S	S	*	*			trans	99.6	133.5	147.2	-64.2	-66.8	0	0	0	120.2
42	R	27.7	Very low	30.6	Very low	242 Å²	242	153.1 Å²	153.1	91%	0.913	79%	0.785	S	S	*	*			trans	-101.9	151.6	153.1	-81.3	-175	171.4	-176.7	-2.1	109.7
43	Y	29.9	Very low	31.6	Very low	227 Å²	227	151.6 Å²	151.6	89%	0.89	78%	0.784	S	S	*	*			trans	-46.1	159.6	164.7	-79	-110.8	0	0	0	113.8
44	S	29.4	Very low	32	Very low	101 Å²	101	152.2 Å²	152.2	71%	0.706	79%	0.787	S	S	*	*			cis	-154.6	170	2.4	-140	0	0	0	0	109.5
45	G	29.8	Very low	31.2	Very low	66 Å²	66	158.3 Å²	158.3	68%	0.68	80%	0.796	S	S	*	*			cis	106.5	111.4	-2.5	0	0	0	0	0	114.6
46	N	29.8	Very low	31.3	Very low	151 Å²	151	157 Å²	157	81%	0.807	79%	0.794	S	S	*	*			trans	-152.4	159.1	168.5	-157.2	5.4	0	0	0	112.6
47	N	32	Very low	31.4	Very low	151 Å²	151	156.2 Å²	156.2	81%	0.807	80%	0.795	S	S	*	*			trans	-33.5	142.7	-167.6	-60.5	-24.9	0	0	0	122
48	N	27	Very low	31.6	Very low	140 Å²	140	148.8 Å²	148.8	75%	0.749	79%	0.786	S	S	*	*			trans	-95.8	165.5	158.7	-137.7	-24.1	0	0	0	108.4
49	P	46.6	Very low	31.8	Very low	106 Å²	106	153.8 Å²	153.8	69%	0.688	79%	0.786	S	S	*	*				-152.8	154.2	64.2	38.9	-17.2	0	0	0	119.7
50	H	28.1	Very low	31.9	Very low	155 Å²	155	154 Å²	154	72%	0.718	78%	0.777	S	S	*	*			trans	56.6	104.5	139	-65.6	-44.6	0	0	0	125.2
51	R	27.3	Very low	32.1	Very low	217 Å²	217	154.2 Å²	154.2	82%	0.819	78%	0.776	S	S	*	*				65.6	110	111.5	-98.1	-172.3	176.7	175.9	-1.7	123.5
52	T	33.9	Very low	32.4	Very low	126 Å²	126	151.4 Å²	151.4	77%	0.773	77%	0.771	S	S	*	*				65.4	165.7	127.1	54.9	0	0	0	0	120.7
53	P	49.3	Very low	32.8	Very low	110 Å²	110	144.8 Å²	144.8	71%	0.714	76%	0.762	S	S	*	*			cis	-137.6	170	7.4	41.1	-22.1	0	0	0	119.6
54	H	32.5	Very low	33.1	Very low	186 Å²	186	141.6 Å²	141.6	86%	0.861	76%	0.757	S	S	*	*			trans	26.3	127.8	151.6	-62.6	-63.7	0	0	0	126.3
55	R	28.5	Very low	33.3	Very low	237 Å²	237	140.4 Å²	140.4	89%	0.894	75%	0.749	S	S	*	*				-166.2	125.9	123	-101	173.3	175.3	-170.8	-1.8	109.4
56	T	29.5	Very low	33.4	Very low	134 Å²	134	148.7 Å²	148.7	82%	0.822	76%	0.76	S	S	*	*				57.1	139.7	86.6	2.6	0	0	0	0	115.5
57	A	31.3	Very low	33.6	Very low	91 Å²	91	149.4 Å²	149.4	75%	0.752	76%	0.763	S	S	*	*			cis	-160	-177.5	17.7	0	0	0	0	0	115.7
58	A	32.8	Very low	34.5	Very low	90 Å²	90	147.8 Å²	147.8	74%	0.744	76%	0.76	S	S	*	*			trans	68.1	133.2	171.2	0	0	0	0	0	117.7
59	R	33.5	Very low	34.7	Very low	195 Å²	195	149.9 Å²	149.9	74%	0.736	77%	0.768	S	S	*	*			cis	75.5	136.3	42.8	-61	-173.6	-172.9	169.9	4.1	113.1
60	Y	32.1	Very low	33.9	Very low	172 Å²	172	155.3 Å²	155.3	68%	0.675	78%	0.775	S	S	*	*			cis	-140.9	137.3	34.4	-91.2	-89.2	0	0	0	113.2
61	F	35	Very low	34.3	Very low	163 Å²	163	154.1 Å²	154.1	72%	0.715	78%	0.781	S	S	*	*				64.3	144.7	102.7	-81.5	-122.5	0	0	0	117.1
62	T	35.2	Very low	34.6	Very low	119 Å²	119	150.4 Å²	150.4	73%	0.73	78%	0.782	S	S	*	*			cis	-167.5	167.7	-17	23.2	0	0	0	0	106.8
63	S	36.1	Very low	34.6	Very low	104 Å²	104	153.6 Å²	153.6	73%	0.727	79%	0.785	S	S	*	*			cis	-165.2	-173.2	36.7	70.2	0	0	0	0	109.7
64	M	35	Very low	34.5	Very low	159 Å²	159	153.9 Å²	153.9	78%	0.783	79%	0.787	S	S	*	*			cis	-156.3	174.5	-5.8	-138.9	-142.4	-54.9	0	0	111.4
65	S	34.2	Very low	35.2	Very low	77 Å²	77	151 Å²	151	54%	0.538	79%	0.785	S	S	.	*			trans	10.3	149.9	150.8	62.7	0	0	0	0	124.1
66	R	31.4	Very low	35.9	Very low	240 Å²	240	145.9 Å²	145.9	91%	0.906	78%	0.782	S	S	*	*			cis	-166.6	169.4	-2.5	-108.9	170.6	-159.6	-157.6	7.1	110.7
67	L	35.2	Very low	36	Very low	165 Å²	165	143.3 Å²	143.3	86%	0.864	78%	0.782	S	S	*	*			trans	-115.9	179.6	172	-71.8	171.4	0	0	0	110.2
68	P	50.9	Low	35.9	Very low	117 Å²	117	145 Å²	145	76%	0.76	79%	0.788	S	S	*	*			cis	-128.8	-172.5	-40.4	36.1	-19	0	0	0	112.3
69	M	30.5	Very low	35.8	Very low	185 Å²	185	144.6 Å²	144.6	91%	0.911	79%	0.793	S	S	*	*			trans	-145.6	162.4	170.3	-107.2	-61.9	-164.7	0	0	114.7
70	R	30.7	Very low	35.6	Very low	220 Å²	220	138.5 Å²	138.5	83%	0.83	79%	0.791	S	S	*	*			trans	-99.8	158	-179.6	-65.3	172.6	168.7	158.6	-6	112.7
71	P	36.2	Very low	35.6	Very low	129 Å²	129	140.2 Å²	140.2	84%	0.838	80%	0.804	S	S	*	*			trans	-73.7	161.4	153.6	33.2	-33.7	0	0	0	112
72	V	33.3	Very low	35.6	Very low	140 Å²	140	143.4 Å²	143.4	85%	0.848	81%	0.812	S	S	*	*			trans	-114.6	154.6	-161.6	169.5	0	0	0	0	112.9
73	K	34.4	Very low	35.4	Very low	192 Å²	192	147.3 Å²	147.3	84%	0.835	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-83.8	149	173.5	-71.1	-176.9	176	-177.3	0	112.1
74	P	46.5	Very low	35.2	Very low	117 Å²	117	151 Å²	151	76%	0.76	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-70.6	162.8	166.5	31.8	-35.5	0	0	0	112.7
75	P	46.1	Very low	35	Very low	125 Å²	125	151.9 Å²	151.9	81%	0.812	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.7	166.2	-174.4	33.2	-36.9	0	0	0	114.6
76	P	43.7	Very low	34.9	Very low	130 Å²	130	157 Å²	157	84%	0.844	84%	0.844	S	S	*	*			trans	-110.4	157.5	-173.2	40	-32.6	0	0	0	116
77	G	33	Very low	35.2	Very low	79 Å²	79	155.5 Å²	155.5	81%	0.814	84%	0.839	S	S	*	*			trans	103.8	141.8	168	0	0	0	0	0	114.3
78	S	28.8	Very low	35.6	Very low	127 Å²	127	154.6 Å²	154.6	89%	0.888	84%	0.835	S	S	*	*			cis	-156.5	138	-7	-174	0	0	0	0	110.8
79	G	29.2	Very low	35.5	Very low	82 Å²	82	155 Å²	155	85%	0.845	83%	0.825	S	S	*	*			trans	72.6	144.1	174.7	0	0	0	0	0	115.6
80	G	30.7	Very low	36.4	Very low	66 Å²	66	155.2 Å²	155.2	68%	0.68	82%	0.816	S	S	*	*			cis	162.2	120.3	-12.6	0	0	0	0	0	112
81	H	31.6	Very low	37.3	Very low	208 Å²	208	150.1 Å²	150.1	96%	0.963	81%	0.809	S	S	*	*			trans	173.6	153.5	144	-94.7	-66.6	0	0	0	109.4
82	R	34.1	Very low	37.8	Very low	231 Å²	231	147 Å²	147	87%	0.872	79%	0.794	S	S	*	*			trans	-78.8	144.2	178.1	-65.7	169.5	171.3	160.8	-5.6	110.1
83	H	32.1	Very low	38.6	Very low	200 Å²	200	147.3 Å²	147.3	93%	0.926	78%	0.78	S	S	*	*				-150.4	168.3	125.8	-102.7	-68	0	0	0	110.6
84	Q	31.2	Very low	39.5	Very low	182 Å²	182	142.5 Å²	142.5	85%	0.85	76%	0.763	S	S	*	*			trans	-108.9	144.3	-151	-172.2	170.5	-14	0	0	112.1	Q86	Q84-Q86 PolarHBondContact O-N 3.14Å; Q84-Q86 VanDerWaalsContact O-N 3.07Å
85	Q	32	Very low	39.7	Very low	177 Å²	177	139.2 Å²	139.2	83%	0.827	75%	0.745	S	S	*	*			trans	-65.6	106.4	-178.3	-68.9	-178.8	-10.8	0	0	112.3
86	Q	32.2	Very low	39.7	Very low	184 Å²	184	135.7 Å²	135.7	86%	0.86	73%	0.727	S	S	*	*			trans	-94.8	115.5	151.9	-79.7	-171.9	-18.9	0	0	109	Q84	Q84-Q86 PolarHBondContact O-N 3.14Å; Q84-Q86 VanDerWaalsContact O-N 3.07Å
87	R	37.9	Very low	40.1	Very low	210 Å²	210	137.7 Å²	137.7	79%	0.792	72%	0.718	S	S	*	*			trans	-82.7	125.4	175.1	-66.3	167	71.5	179.6	3.6	108.1	F89	R87-F89 PolarHBondContact O-N 3.29Å
88	N	42.2	Very low	41	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	70%	0.703	S	S	*	*			trans	-68.1	76.4	178	-82	-9.3	0	0	0	112.3	W90	N88-W90 PolarHBondContact O-N 3.47Å; N88-W90 VanDerWaalsContact O-N 3.15Å
89	F	48.4	Very low	42.1	Very low	126 Å²	126	136.7 Å²	136.7	55%	0.553	68%	0.683	S	S	*	*	H	α-helix	trans	-70	-4.9	179.8	-150.5	-96.8	0	0	0	112.9	R87 R93	R87-F89 PolarHBondContact O-N 3.29Å; F89-R93 HydrophobicContact CD1-CG 3.86Å; F89-R93 HydrophobicContact CE1-CG 4.07Å; F89-R93 WeakPolarHBondContact O-CB 3.4Å; F89-R93 WeakPolarHBondContact O-CG 3.31Å; F89-R93 PolarHBondContact O-N 2.79Å; F89-R93 VanDerWaalsContact O-N 3.15Å
90	W	49.3	Very low	42.9	Very low	189 Å²	189	141.6 Å²	141.6	72%	0.716	68%	0.676	S	S	*	*	H	α-helix	trans	-74.3	-45.9	-175.5	-119.3	89.3	0	0	0	113.4	N88 A92 R93 L94	N88-W90 PolarHBondContact O-N 3.47Å; N88-W90 VanDerWaalsContact O-N 3.15Å; W90-A92 VanDerWaalsContact C-N 3.32Å; W90-A92 PolarHBondContact O-N 2.68Å; W90-R93 CarbonylContact O-C 3.5Å; W90-R93 PolarHBondContact O-N 2.75Å; W90-R93 VanDerWaalsContact O-N 3.08Å; W90-L94 HydrophobicContact CE3-CD1 4.49Å; W90-L94 HydrophobicContact CZ3-CD1 4.07Å; W90-L94 PolarHBondContact O-N 3.17Å
91	V	51.4	Low	43.9	Very low	113 Å²	113	143 Å²	143	69%	0.685	67%	0.667	S	S	*	*	H	α-helix	trans	-61.7	-42	179.5	-177.2	0	0	0	0	110.9	L94 A95	V91-L94 PolarHBondContact O-N 3.22Å; V91-A95 WeakPolarHBondContact O-CB 3.18Å; V91-A95 PolarHBondContact O-N 3.27Å
92	A	45.5	Very low	44.7	Very low	64 Å²	64	138.1 Å²	138.1	53%	0.529	64%	0.64	S	S	.	*	H	α-helix	trans	-64.2	-38.3	174.2	0	0	0	0	0	112.6	W90 A96	W90-A92 VanDerWaalsContact C-N 3.32Å; W90-A92 PolarHBondContact O-N 2.68Å; A92-A96 VanDerWaalsContact O-CB 3.22Å; A92-A96 WeakPolarHBondContact O-CB 3.22Å; A92-A96 PolarHBondContact O-N 2.71Å
93	R	49.6	Very low	45.4	Very low	146 Å²	146	135.5 Å²	135.5	55%	0.551	63%	0.632	S	S	*	*	H	α-helix	trans	-69.1	-36.8	173.6	-86.6	-177.7	167.9	158.9	-2.6	113	F89 W90 A96 R97	F89-R93 HydrophobicContact CD1-CG 3.86Å; F89-R93 HydrophobicContact CE1-CG 4.07Å; F89-R93 WeakPolarHBondContact O-CB 3.4Å; F89-R93 WeakPolarHBondContact O-CG 3.31Å; F89-R93 PolarHBondContact O-N 2.79Å; F89-R93 VanDerWaalsContact O-N 3.15Å; W90-R93 CarbonylContact O-C 3.5Å; W90-R93 PolarHBondContact O-N 2.75Å; W90-R93 VanDerWaalsContact O-N 3.08Å; R93-A96 PolarHBondContact O-N 2.85Å; R93-R97 WeakPolarHBondContact O-CB 3.49Å; R93-R97 VanDerWaalsContact O-CG 3.3Å; R93-R97 WeakPolarHBondContact O-CG 3.43Å; R93-R97 PolarHBondContact O-N 2.9Å
94	L	54.8	Low	46.4	Very low	91 Å²	91	131.2 Å²	131.2	48%	0.476	61%	0.614	S	S	.	*	H	α-helix	trans	-66.3	-49.4	176.8	-161.6	82.2	0	0	0	110.2	W90 V91 A96 R97 L98	W90-L94 HydrophobicContact CE3-CD1 4.49Å; W90-L94 HydrophobicContact CZ3-CD1 4.07Å; W90-L94 PolarHBondContact O-N 3.17Å; V91-L94 PolarHBondContact O-N 3.22Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 3.21Å; L94-R97 PolarHBondContact O-N 3.48Å; L94-R97 VanDerWaalsContact O-N 3.08Å; L94-L98 HydrophobicContact CG-CD1 4.39Å; L94-L98 WeakPolarHBondContact O-CG 3.19Å; L94-L98 PolarHBondContact O-N 3Å
95	A	49.6	Very low	47.4	Very low	47 Å²	47	128.8 Å²	128.8	39%	0.388	61%	0.606	S	S	.	*	H	α-helix	trans	-57.9	-43.4	173.8	0	0	0	0	0	112	V91 R97 L98 L99	V91-A95 WeakPolarHBondContact O-CB 3.18Å; V91-A95 PolarHBondContact O-N 3.27Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.02Å; A95-L98 PolarHBondContact O-N 3.42Å; A95-L99 WeakPolarHBondContact O-CB 3.36Å; A95-L99 VanDerWaalsContact O-CG 3.29Å; A95-L99 WeakPolarHBondContact O-CG 3.46Å; A95-L99 PolarHBondContact O-N 2.95Å
96	A	46.3	Very low	48.1	Very low	51 Å²	51	125.2 Å²	125.2	42%	0.421	59%	0.592	S	S	.	*	H	α-helix	trans	-67.5	-25.8	176	0	0	0	0	0	114	A92 R93 L94 R100	A92-A96 VanDerWaalsContact O-CB 3.22Å; A92-A96 WeakPolarHBondContact O-CB 3.22Å; A92-A96 PolarHBondContact O-N 2.71Å; R93-A96 PolarHBondContact O-N 2.85Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 3.21Å; A96-R100 WeakPolarHBondContact O-CG 3.08Å; A96-R100 PolarHBondContact O-N 3.3Å
97	R	51.9	Low	48.7	Very low	173 Å²	173	118.6 Å²	118.6	65%	0.653	57%	0.573	S	S	*	*	H	α-helix	trans	-81.4	-40.1	174.4	-77.6	175.3	171.1	-169.5	-5.4	112.1	R93 L94 A95 L99 R100 L101	R93-R97 WeakPolarHBondContact O-CB 3.49Å; R93-R97 VanDerWaalsContact O-CG 3.3Å; R93-R97 WeakPolarHBondContact O-CG 3.43Å; R93-R97 PolarHBondContact O-N 2.9Å; L94-R97 PolarHBondContact O-N 3.48Å; L94-R97 VanDerWaalsContact O-N 3.08Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.02Å; R97-L99 VanDerWaalsContact C-N 3.3Å; R97-L99 PolarHBondContact O-N 3.19Å; R97-R100 WeakPolarHBondContact O-CA 3.49Å; R97-R100 WeakPolarHBondContact O-CB 3.26Å; R97-R100 PolarHBondContact O-N 3.01Å; R97-L101 PolarHBondContact O-N 3.25Å; R97-L101 VanDerWaalsContact O-N 3.16Å
98	L	52.8	Low	49.2	Very low	96 Å²	96	112.4 Å²	112.4	50%	0.503	56%	0.559	S	S	.	*	H	α-helix	trans	-62.2	-38.1	170.1	-69.4	167.6	0	0	0	111.4	L94 A95 R100 L101 R102	L94-L98 HydrophobicContact CG-CD1 4.39Å; L94-L98 WeakPolarHBondContact O-CG 3.19Å; L94-L98 PolarHBondContact O-N 3Å; A95-L98 PolarHBondContact O-N 3.42Å; L98-R100 PolarHBondContact O-N 3.15Å; L98-L101 HydrophobicContact CD2-CD1 4.26Å; L98-L101 PolarHBondContact O-N 3.33Å; L98-R102 PolarHBondContact O-N 2.97Å; L98-R102 VanDerWaalsContact O-N 3.15Å
99	L	50.5	Low	49.5	Very low	89 Å²	89	109.2 Å²	109.2	47%	0.466	55%	0.553	S	S	.	*	H	α-helix	trans	-66.9	-14.9	170.4	-75.2	169.7	0	0	0	114	A95 R97 Y103	A95-L99 WeakPolarHBondContact O-CB 3.36Å; A95-L99 VanDerWaalsContact O-CG 3.29Å; A95-L99 WeakPolarHBondContact O-CG 3.46Å; A95-L99 PolarHBondContact O-N 2.95Å; R97-L99 VanDerWaalsContact C-N 3.3Å; R97-L99 PolarHBondContact O-N 3.19Å; L99-Y103 WeakPolarHBondContact O-CD2 3.45Å
100	R	47.2	Very low	49.4	Very low	185 Å²	185	109.6 Å²	109.6	70%	0.698	57%	0.565	S	S	*	*	H	α-helix	trans	-84.2	-39.2	169.5	-75.9	176.6	175.9	-158.1	-3.5	112.3	A96 R97 L98 R102 Y103 I104	A96-R100 WeakPolarHBondContact O-CG 3.08Å; A96-R100 PolarHBondContact O-N 3.3Å; R97-R100 WeakPolarHBondContact O-CA 3.49Å; R97-R100 WeakPolarHBondContact O-CB 3.26Å; R97-R100 PolarHBondContact O-N 3.01Å; L98-R100 PolarHBondContact O-N 3.15Å; R100-R102 PolarHBondContact O-N 3.27Å; R100-Y103 PolarHBondContact O-N 3.02Å; R100-I104 PolarHBondContact O-N 3.3Å
101	L	52.5	Low	48.9	Very low	94 Å²	94	102.5 Å²	102.5	49%	0.492	55%	0.551	S	S	.	*	H	α-helix	trans	-54.6	-41.1	169.7	-83.6	158.4	0	0	0	111.5	R97 L98 Y103 I104 L105	R97-L101 PolarHBondContact O-N 3.25Å; R97-L101 VanDerWaalsContact O-N 3.16Å; L98-L101 HydrophobicContact CD2-CD1 4.26Å; L98-L101 PolarHBondContact O-N 3.33Å; L101-Y103 VanDerWaalsContact C-N 3.29Å; L101-Y103 PolarHBondContact O-N 3.49Å; L101-I104 PolarHBondContact O-N 2.86Å; L101-I104 VanDerWaalsContact O-N 3.12Å; L101-L105 PolarHBondContact O-N 3.17Å
102	R	46.9	Very low	48.3	Very low	106 Å²	106	100.4 Å²	100.4	40%	0.4	55%	0.552	S	S	.	*	H	α-helix	trans	-52.5	-40.4	171.1	179.8	-174.5	-174.1	-179.7	3.8	113.9	L98 R100 L106 W849	L98-R102 PolarHBondContact O-N 2.97Å; L98-R102 VanDerWaalsContact O-N 3.15Å; R100-R102 PolarHBondContact O-N 3.27Å; R102-L106 PolarHBondContact O-N 2.95Å; R102-W849 VanDerWaalsContact CD-CH2 3.49Å; R102-W849 HydrophobicContact CG-CH2 3.75Å; R102-W849 HydrophobicContact CG-CZ2 3.84Å
103	Y	48.7	Very low	48.1	Very low	177 Å²	177	100.4 Å²	100.4	69%	0.694	56%	0.558	S	S	*	*	H	α-helix	trans	-77.1	-26.7	179.4	-90.1	-77	0	0	0	113.1	L99 R100 L101 L106 G107	L99-Y103 WeakPolarHBondContact O-CD2 3.45Å; R100-Y103 PolarHBondContact O-N 3.02Å; L101-Y103 VanDerWaalsContact C-N 3.29Å; L101-Y103 PolarHBondContact O-N 3.49Å; Y103-L106 PolarHBondContact O-N 2.85Å; Y103-G107 PolarHBondContact O-N 3.14Å
104	I	53.6	Low	47.8	Very low	110 Å²	110	104.1 Å²	104.1	56%	0.564	57%	0.574	S	S	*	*	H	α-helix	trans	-68.6	-46.4	177	-64.8	168.9	0	0	0	110.1	R100 L101 L106 G107 T108	R100-I104 PolarHBondContact O-N 3.3Å; L101-I104 PolarHBondContact O-N 2.86Å; L101-I104 VanDerWaalsContact O-N 3.12Å; I104-L106 VanDerWaalsContact C-N 3.29Å; I104-L106 PolarHBondContact O-N 3.19Å; I104-G107 WeakPolarHBondContact O-CA 3.32Å; I104-G107 PolarHBondContact O-N 3.17Å; I104-T108 PolarHBondContact O-N 3.18Å; I104-T108 PolarHBondContact O-OG1 3.18Å
105	L	51.7	Low	47.5	Very low	131 Å²	131	104.5 Å²	104.5	69%	0.686	58%	0.58	S	S	*	*	H	α-helix	trans	-63.6	-31.8	175.8	-77.6	165.1	0	0	0	113.4	L101 T108	L101-L105 PolarHBondContact O-N 3.17Å; L105-T108 WeakPolarHBondContact CA-OG1 3.48Å; L105-T108 PolarHBondContact O-OG1 2.84Å
106	L	47.5	Very low	47.2	Very low	102 Å²	102	104.1 Å²	104.1	53%	0.534	58%	0.577	S	S	.	*	H	α-helix	trans	-72.6	-31.1	170.8	-94.4	159	0	0	0	112.7	R102 Y103 I104 A109	R102-L106 PolarHBondContact O-N 2.95Å; Y103-L106 PolarHBondContact O-N 2.85Å; I104-L106 VanDerWaalsContact C-N 3.29Å; I104-L106 PolarHBondContact O-N 3.19Å; L106-A109 PolarHBondContact O-N 3.38Å
107	G	45	Very low	47.1	Very low	44 Å²	44	108.6 Å²	108.6	45%	0.454	59%	0.587	S	S	.	*	H	α-helix	trans	-67.5	-41.5	173.9	0	0	0	0	0	112.9	Y103 I104 A109 V110 G111	Y103-G107 PolarHBondContact O-N 3.14Å; I104-G107 WeakPolarHBondContact O-CA 3.32Å; I104-G107 PolarHBondContact O-N 3.17Å; G107-A109 PolarHBondContact O-N 2.58Å; G107-V110 PolarHBondContact O-N 2.64Å; G107-G111 PolarHBondContact O-N 3.02Å
108	T	48.4	Very low	46.8	Very low	80 Å²	80	106.9 Å²	106.9	49%	0.491	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	-16.5	177.2	44.4	0	0	0	0	114.2	I104 L105	I104-T108 PolarHBondContact O-N 3.18Å; I104-T108 PolarHBondContact O-OG1 3.18Å; L105-T108 WeakPolarHBondContact CA-OG1 3.48Å; L105-T108 PolarHBondContact O-OG1 2.84Å
109	A	48.1	Very low	46.7	Very low	80 Å²	80	106.1 Å²	106.1	66%	0.661	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-8.5	176.3	0	0	0	0	0	114	L106 G107	L106-A109 PolarHBondContact O-N 3.38Å; G107-A109 PolarHBondContact O-N 2.58Å
110	V	45.1	Very low	46.6	Very low	134 Å²	134	108.9 Å²	108.9	81%	0.812	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.6	-16.7	-173.3	-172.6	0	0	0	0	112.8	G107	G107-V110 PolarHBondContact O-N 2.64Å
111	G	40.2	Very low	46.3	Very low	40 Å²	40	104.6 Å²	104.6	41%	0.412	58%	0.577	S	S	.	*	S	Bend	trans	-116.6	128.5	173.5	0	0	0	0	0	112.3	G107	G107-G111 PolarHBondContact O-N 3.02Å
112	G	38.1	Very low	46.2	Very low	68 Å²	68	104.9 Å²	104.9	70%	0.701	58%	0.576	S	S	*	*			trans	-59.2	142.2	-178.1	0	0	0	0	0	113.8	Y114	G112-Y114 PolarHBondContact O-N 3.25Å
113	G	41.6	Very low	46.2	Very low	65 Å²	65	106.8 Å²	106.8	67%	0.67	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	10.3	-158.8	0	0	0	0	0	119.6
114	Y	42.3	Very low	46	Very low	224 Å²	224	104.8 Å²	104.8	88%	0.878	58%	0.578	S	S	*	*	H	α-helix	trans	-73.3	-25.7	179.3	-158.6	-98.7	0	0	0	113.3	G112	G112-Y114 PolarHBondContact O-N 3.25Å
115	T	48.5	Very low	45.6	Very low	99 Å²	99	106.1 Å²	106.1	61%	0.607	59%	0.586	S	S	*	*	H	α-helix	trans	-79.3	-26.4	177	48.6	0	0	0	0	113.4	K117 K118 T119	T115-K117 PolarHBondContact O-N 3.17Å; T115-K118 PolarHBondContact O-N 3.29Å; T115-T119 PolarHBondContact O-N 2.66Å; T115-T119 PolarHBondContact O-OG1 2.75Å; T115-T119 VanDerWaalsContact O-OG1 3.13Å
116	A	45.1	Very low	45.3	Very low	39 Å²	39	107.5 Å²	107.5	32%	0.322	59%	0.591	S	S	.	*	H	α-helix	trans	-62.2	-42.9	-171.5	0	0	0	0	0	113.2	K118 T119 Y120	A116-K118 PolarHBondContact O-N 3.17Å; A116-T119 PolarHBondContact O-N 2.96Å; A116-T119 PolarHBondContact O-OG1 3.07Å; A116-Y120 PolarHBondContact O-N 2.56Å
117	K	43.2	Very low	44.9	Very low	145 Å²	145	107.1 Å²	107.1	63%	0.63	59%	0.589	S	S	*	*	H	α-helix	trans	-61.9	-46	-178.3	-174.9	173.3	177.4	177.9	0	112.2	T115 T119 Y120 E121	T115-K117 PolarHBondContact O-N 3.17Å; K117-T119 PolarHBondContact O-N 3.36Å; K117-Y120 PolarHBondContact O-N 3.47Å; K117-E121 WeakPolarHBondContact CE-OE1 3.29Å; K117-E121 IonicContact NZ-OE1 2.6Å; K117-E121 PolarHBondContact O-N 3.21Å
118	K	45	Very low	44.7	Very low	136 Å²	136	109.1 Å²	109.1	59%	0.591	59%	0.594	S	S	*	*	H	α-helix	trans	-64.2	-41.7	-179.8	-163.8	175.8	-168.6	-97.8	0	111.8	T115 A116 Y120 E121 E122	T115-K118 PolarHBondContact O-N 3.29Å; A116-K118 PolarHBondContact O-N 3.17Å; K118-Y120 VanDerWaalsContact C-N 3.27Å; K118-Y120 PolarHBondContact O-N 3.5Å; K118-E121 PolarHBondContact O-N 3.42Å; K118-E122 WeakPolarHBondContact CE-OE1 3.37Å; K118-E122 IonicContact NZ-OE1 3.56Å; K118-E122 PolarHBondContact NZ-OE1 3.39Å; K118-E122 WeakPolarHBondContact O-CB 3.33Å; K118-E122 WeakPolarHBondContact O-CG 3.43Å; K118-E122 PolarHBondContact O-N 2.81Å
119	T	50.8	Low	44.4	Very low	81 Å²	81	112.9 Å²	112.9	50%	0.497	61%	0.611	S	S	.	*	H	α-helix	trans	-70.7	-19.8	176.8	49.9	0	0	0	0	114	T115 A116 K117 W123	T115-T119 PolarHBondContact O-N 2.66Å; T115-T119 PolarHBondContact O-OG1 2.75Å; T115-T119 VanDerWaalsContact O-OG1 3.13Å; A116-T119 PolarHBondContact O-N 2.96Å; A116-T119 PolarHBondContact O-OG1 3.07Å; K117-T119 PolarHBondContact O-N 3.36Å; T119-W123 WeakPolarHBondContact O-CB 3.46Å; T119-W123 PolarHBondContact O-N 2.92Å
120	Y	48.6	Very low	44.4	Very low	147 Å²	147	115.1 Å²	115.1	58%	0.576	61%	0.606	S	S	*	*	H	α-helix	trans	-76.6	-44.4	173.1	178.7	-105	0	0	0	111.6	A116 K117 K118 W123 K124	A116-Y120 PolarHBondContact O-N 2.56Å; K117-Y120 PolarHBondContact O-N 3.47Å; K118-Y120 VanDerWaalsContact C-N 3.27Å; K118-Y120 PolarHBondContact O-N 3.5Å; Y120-W123 PolarHBondContact O-N 2.86Å; Y120-K124 WeakPolarHBondContact O-CB 3.49Å; Y120-K124 PolarHBondContact O-N 2.9Å
121	E	42.3	Very low	44.5	Very low	95 Å²	95	113 Å²	113	44%	0.444	60%	0.597	S	S	.	*	H	α-helix	trans	-65.9	-46.1	175.9	-70.4	168.6	-169	0	0	110.7	K117 K118 W123 K124 D125	K117-E121 WeakPolarHBondContact CE-OE1 3.29Å; K117-E121 IonicContact NZ-OE1 2.6Å; K117-E121 PolarHBondContact O-N 3.21Å; K118-E121 PolarHBondContact O-N 3.42Å; E121-W123 PolarHBondContact O-N 2.84Å; E121-W123 VanDerWaalsContact O-N 3.16Å; E121-K124 PolarHBondContact O-N 3.49Å; E121-D125 PolarHBondContact O-N 2.79Å
122	E	48.4	Very low	44.6	Very low	99 Å²	99	118.8 Å²	118.8	46%	0.463	61%	0.614	S	S	.	*	H	α-helix	trans	-62.1	-21.1	173	-71.4	173.6	176.7	0	0	114	K118	K118-E122 WeakPolarHBondContact CE-OE1 3.37Å; K118-E122 IonicContact NZ-OE1 3.56Å; K118-E122 PolarHBondContact NZ-OE1 3.39Å; K118-E122 WeakPolarHBondContact O-CB 3.33Å; K118-E122 WeakPolarHBondContact O-CG 3.43Å; K118-E122 PolarHBondContact O-N 2.81Å
123	W	47.7	Very low	45.1	Very low	146 Å²	146	122.2 Å²	122.2	55%	0.553	61%	0.607	S	S	*	*	H	α-helix	trans	-87.6	-37.3	174.9	-177.9	75.3	0	0	0	112.7	T119 Y120 E121 D125 M126 L127	T119-W123 WeakPolarHBondContact O-CB 3.46Å; T119-W123 PolarHBondContact O-N 2.92Å; Y120-W123 PolarHBondContact O-N 2.86Å; E121-W123 PolarHBondContact O-N 2.84Å; E121-W123 VanDerWaalsContact O-N 3.16Å; W123-D125 VanDerWaalsContact C-N 3.31Å; W123-D125 PolarHBondContact O-N 3.1Å; W123-M126 PolarHBondContact O-N 2.87Å; W123-M126 VanDerWaalsContact O-N 3.17Å; W123-L127 HydrophobicContact CH2-CD1 4.07Å; W123-L127 HydrophobicContact CZ2-CD1 4.41Å; W123-L127 HydrophobicContact CZ2-CD2 4.45Å; W123-L127 HydrophobicContact CZ3-CD1 4.13Å
124	K	44.5	Very low	44.9	Very low	135 Å²	135	125.1 Å²	125.1	59%	0.587	61%	0.607	S	S	*	*	H	α-helix	trans	-58.2	-44.8	175.3	-177	-175.4	174.8	-171.1	0	111	Y120 E121 M126 L127	Y120-K124 WeakPolarHBondContact O-CB 3.49Å; Y120-K124 PolarHBondContact O-N 2.9Å; E121-K124 PolarHBondContact O-N 3.49Å; K124-M126 PolarHBondContact O-N 3.44Å; K124-L127 PolarHBondContact O-N 3Å
125	D	45.4	Very low	44.9	Very low	138 Å²	138	124.7 Å²	124.7	74%	0.738	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-1.3	-178.9	-63.9	-7.4	0	0	0	113.6	E121 W123	E121-D125 PolarHBondContact O-N 2.79Å; W123-D125 VanDerWaalsContact C-N 3.31Å; W123-D125 PolarHBondContact O-N 3.1Å
126	M	44.7	Very low	44.8	Very low	161 Å²	161	124.5 Å²	124.5	79%	0.793	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	6.6	176	-78.3	-158.7	169.6	0	0	114.5	W123 K124	W123-M126 PolarHBondContact O-N 2.87Å; W123-M126 VanDerWaalsContact O-N 3.17Å; K124-M126 PolarHBondContact O-N 3.44Å
127	L	40.8	Very low	44.3	Very low	93 Å²	93	126.4 Å²	126.4	49%	0.487	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-91.6	122.4	171.8	-69.8	169.6	0	0	0	110.3	W123 K124	W123-L127 HydrophobicContact CH2-CD1 4.07Å; W123-L127 HydrophobicContact CZ2-CD1 4.41Å; W123-L127 HydrophobicContact CZ2-CD2 4.45Å; W123-L127 HydrophobicContact CZ3-CD1 4.13Å; K124-L127 PolarHBondContact O-N 3Å
128	P	40.8	Very low	43.9	Very low	87 Å²	87	123.7 Å²	123.7	57%	0.565	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-73.4	154.3	169.5	32.4	-34.6	0	0	0	110.7	F130	P128-F130 HydrophobicContact CG-CE2 4.1Å; P128-F130 HydrophobicContact CG-CZ 4.09Å; P128-F130 WeakPolarHBondContact O-CD2 3.37Å; P128-F130 VanDerWaalsContact O-CE2 3.31Å; P128-F130 WeakPolarHBondContact O-CE2 3.37Å; P128-F130 PolarHBondContact O-N 2.63Å
129	D	41.3	Very low	43.4	Very low	159 Å²	159	123.5 Å²	123.5	85%	0.85	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-59.6	130.5	174.8	-83.8	-51.8	0	0	0	112
130	F	48.2	Very low	42.9	Very low	126 Å²	126	125.8 Å²	125.8	55%	0.553	61%	0.612	S	S	*	*			trans	-103	23.1	-176.2	-80.2	-75.3	0	0	0	114.1	P128 E132 Y133	P128-F130 HydrophobicContact CG-CE2 4.1Å; P128-F130 HydrophobicContact CG-CZ 4.09Å; P128-F130 WeakPolarHBondContact O-CD2 3.37Å; P128-F130 VanDerWaalsContact O-CE2 3.31Å; P128-F130 WeakPolarHBondContact O-CE2 3.37Å; P128-F130 PolarHBondContact O-N 2.63Å; F130-E132 PolarHBondContact O-N 2.84Å; F130-E132 VanDerWaalsContact O-N 3.14Å; F130-Y133 HydrophobicContact CD1-CD2 4.34Å; F130-Y133 PolarHBondContact O-N 3.27Å
131	S	46.8	Very low	42.4	Very low	89 Å²	89	121.9 Å²	121.9	62%	0.622	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-23.5	-177.1	50.1	0	0	0	0	115
132	E	42.3	Very low	42.2	Very low	163 Å²	163	125.1 Å²	125.1	76%	0.762	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-2.4	-178.4	-64.9	-167	136	0	0	115.4	F130	F130-E132 PolarHBondContact O-N 2.84Å; F130-E132 VanDerWaalsContact O-N 3.14Å
133	Y	47.9	Very low	41.6	Very low	140 Å²	140	126.9 Å²	126.9	55%	0.549	62%	0.62	S	S	.	*			trans	-114.5	20.8	-170	-69.7	-84.1	0	0	0	115.5	F130 W135 V136	F130-Y133 HydrophobicContact CD1-CD2 4.34Å; F130-Y133 PolarHBondContact O-N 3.27Å; Y133-W135 PolarHBondContact O-N 3.28Å; Y133-V136 PolarHBondContact O-N 2.62Å
134	N	39	Very low	40.9	Very low	125 Å²	125	125.6 Å²	125.6	67%	0.668	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	6.6	-174.8	-72.9	-18.6	0	0	0	117.1
135	W	41.8	Very low	40.3	Very low	215 Å²	215	122.7 Å²	122.7	81%	0.814	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	4.9	-178.3	71.2	-84.6	0	0	0	114.9	Y133	Y133-W135 PolarHBondContact O-N 3.28Å
136	V	45.8	Very low	40	Very low	95 Å²	95	124.1 Å²	124.1	58%	0.576	62%	0.622	S	S	*	*	S	Bend	trans	-129.6	35.8	-176	-155.5	0	0	0	0	112.7	Y133	Y133-V136 PolarHBondContact O-N 2.62Å
137	I	35.1	Very low	39.8	Very low	80 Å²	80	122.8 Å²	122.8	41%	0.41	62%	0.618	S	S	.	*			trans	-128.3	120.4	176.9	-57	179.7	0	0	0	108.8	V141	I137-V141 HydrophobicContact CG2-CB 3.72Å; I137-V141 HydrophobicContact CG2-CG1 4.15Å; I137-V141 HydrophobicContact CG2-CG2 3.66Å
138	P	34.6	Very low	39.5	Very low	87 Å²	87	123.5 Å²	123.5	57%	0.565	62%	0.621	S	S	*	*			trans	-70.1	144.2	172.6	-18.4	32.4	0	0	0	112.2	F140 V141	P138-F140 HydrophobicContact CB-CD1 4.38Å; P138-F140 PolarHBondContact O-N 3.31Å; P138-V141 PolarHBondContact O-N 2.86Å
139	D	35.6	Very low	39.3	Very low	133 Å²	133	122.8 Å²	122.8	71%	0.711	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-21.9	-158.9	-50.3	-72.4	0	0	0	116.2	V141 W142	D139-V141 PolarHBondContact O-N 3.06Å; D139-W142 PolarHBondContact O-N 3.1Å
140	F	39.2	Very low	39	Very low	129 Å²	129	120.9 Å²	120.9	57%	0.566	60%	0.602	S	S	*	*	H	α-helix	trans	-57.7	-19.3	-179.9	92.4	-84.7	0	0	0	114.2	P138 W142 L144	P138-F140 HydrophobicContact CB-CD1 4.38Å; P138-F140 PolarHBondContact O-N 3.31Å; F140-W142 VanDerWaalsContact C-N 3.33Å; F140-L144 PolarHBondContact O-N 3.21Å
141	V	37.5	Very low	38.4	Very low	65 Å²	65	120.2 Å²	120.2	39%	0.394	60%	0.604	S	S	.	*	H	α-helix	trans	-69.8	-30.9	177.9	179.1	0	0	0	0	111.6	I137 P138 D139	I137-V141 HydrophobicContact CG2-CB 3.72Å; I137-V141 HydrophobicContact CG2-CG1 4.15Å; I137-V141 HydrophobicContact CG2-CG2 3.66Å; P138-V141 PolarHBondContact O-N 2.86Å; D139-V141 PolarHBondContact O-N 3.06Å
142	W	37.7	Very low	38.1	Very low	163 Å²	163	122.9 Å²	122.9	62%	0.617	61%	0.605	S	S	*	*	H	α-helix	trans	-85.9	-35.9	177.7	-66	111.1	0	0	0	112.4	D139 F140 L144 S145	D139-W142 PolarHBondContact O-N 3.1Å; F140-W142 VanDerWaalsContact C-N 3.33Å; W142-L144 PolarHBondContact O-N 3.27Å; W142-L144 VanDerWaalsContact O-N 3.16Å; W142-S145 PolarHBondContact O-N 2.79Å; W142-S145 PolarHBondContact O-OG 3.45Å
143	E	36.6	Very low	37.8	Very low	136 Å²	136	120.5 Å²	120.5	64%	0.636	60%	0.597	S	S	*	*	H	α-helix	trans	-57.5	-29.5	173.2	-69.1	-172.2	125.9	0	0	113.1	N147	E143-N147 PolarHBondContact O-ND2 3.49Å
144	L	32.5	Very low	37.4	Very low	119 Å²	119	117 Å²	117	62%	0.623	60%	0.596	S	S	*	*	H	α-helix	trans	-78.8	-18.4	177.8	-128.4	82.9	0	0	0	113.8	F140 W142	F140-L144 PolarHBondContact O-N 3.21Å; W142-L144 PolarHBondContact O-N 3.27Å; W142-L144 VanDerWaalsContact O-N 3.16Å
145	S	33.4	Very low	37.4	Very low	74 Å²	74	119.3 Å²	119.3	52%	0.517	60%	0.601	S	S	.	*	H	α-helix	trans	-88.1	-22.4	179.9	47.4	0	0	0	0	114.5	W142	W142-S145 PolarHBondContact O-N 2.79Å; W142-S145 PolarHBondContact O-OG 3.45Å
146	E	39	Very low	37.4	Very low	167 Å²	167	112.6 Å²	112.6	78%	0.78	59%	0.59	S	S	*	*	H	α-helix	trans	-86.9	-17.9	179.3	-65.1	-167.5	129.4	0	0	113.9
147	N	39.6	Very low	36.8	Very low	133 Å²	133	114.2 Å²	114.2	71%	0.711	60%	0.595	S	S	*	*	S	Bend	trans	-105.5	3.8	-169.2	-73.3	-72.5	0	0	0	115.5	E143	E143-N147 PolarHBondContact O-ND2 3.49Å
148	I	34.6	Very low	36.7	Very low	109 Å²	109	115.6 Å²	115.6	56%	0.559	61%	0.61	S	S	*	*			trans	-129.3	64.4	178.5	-54	-176.9	0	0	0	109.7	L150	I148-L150 HydrophobicContact CG2-CD1 4.35Å; I148-L150 HydrophobicContact CG2-CD2 4.42Å; I148-L150 HydrophobicContact CG2-CG 4.01Å; I148-L150 PolarHBondContact O-N 3.06Å
149	D	36.6	Very low	36.6	Very low	72 Å²	72	119 Å²	119	39%	0.385	62%	0.618	S	S	.	*			trans	-78.7	81.9	175.5	-169.3	-9.8	0	0	0	110.5	D151 K152 L153	D149-D151 PolarHBondContact O-N 2.98Å; D149-K152 HydrophobicContact CB-CB 4.37Å; D149-K152 HydrophobicContact CB-CG 4.44Å; D149-K152 WeakPolarHBondContact O-CB 3.32Å; D149-K152 PolarHBondContact O-N 2.95Å; D149-K152 WeakPolarHBondContact OD2-CD 3.49Å; D149-K152 WeakPolarHBondContact OD2-CG 3.49Å; D149-K152 IonicContact OD2-NZ 3.16Å; D149-K152 PolarHBondContact OD2-NZ 2.84Å; D149-L153 PolarHBondContact O-N 2.85Å; D149-L153 VanDerWaalsContact O-N 3.15Å
150	L	35.2	Very low	36.6	Very low	118 Å²	118	121.3 Å²	121.3	62%	0.618	63%	0.627	S	S	*	*	H	α-helix	trans	-61.4	-25.3	-175.6	-77.1	162	0	0	0	113.2	I148 K152 L153 A154	I148-L150 HydrophobicContact CG2-CD1 4.35Å; I148-L150 HydrophobicContact CG2-CD2 4.42Å; I148-L150 HydrophobicContact CG2-CG 4.01Å; I148-L150 PolarHBondContact O-N 3.06Å; L150-K152 VanDerWaalsContact C-N 3.32Å; L150-L153 PolarHBondContact O-N 3.18Å; L150-A154 WeakPolarHBondContact O-CB 3.29Å; L150-A154 PolarHBondContact O-N 3.22Å
151	D	35.2	Very low	36.4	Very low	113 Å²	113	122.1 Å²	122.1	60%	0.604	63%	0.632	S	S	*	*	H	α-helix	trans	-76.7	-16.9	175.1	-77.8	-23.5	0	0	0	113.1	D149 K155	D149-D151 PolarHBondContact O-N 2.98Å; D151-K155 WeakPolarHBondContact O-CD 3.25Å; D151-K155 WeakPolarHBondContact O-CE 3.25Å; D151-K155 WeakPolarHBondContact O-CG 3.07Å
152	K	40.9	Very low	36.4	Very low	145 Å²	145	126 Å²	126	63%	0.63	65%	0.646	S	S	*	*	H	α-helix	trans	-81.7	-38.8	162.5	-75.4	-170.3	-176.2	87.7	0	111.8	D149 L150 K155 A156	D149-K152 HydrophobicContact CB-CB 4.37Å; D149-K152 HydrophobicContact CB-CG 4.44Å; D149-K152 WeakPolarHBondContact O-CB 3.32Å; D149-K152 PolarHBondContact O-N 2.95Å; D149-K152 WeakPolarHBondContact OD2-CD 3.49Å; D149-K152 WeakPolarHBondContact OD2-CG 3.49Å; D149-K152 IonicContact OD2-NZ 3.16Å; D149-K152 PolarHBondContact OD2-NZ 2.84Å; L150-K152 VanDerWaalsContact C-N 3.32Å; K152-K155 CarbonylContact O-C 3.51Å; K152-K155 PolarHBondContact O-N 3.49Å; K152-K155 VanDerWaalsContact O-N 3.13Å; K152-A156 PolarHBondContact O-N 2.88Å; K152-A156 VanDerWaalsContact O-N 3.12Å
153	L	35.2	Very low	36.4	Very low	113 Å²	113	124.5 Å²	124.5	59%	0.592	65%	0.649	S	S	*	*	H	α-helix	trans	-68.6	-35.8	-178.1	-139.1	162.2	0	0	0	111.7	D149 L150 K155 A156	D149-L153 PolarHBondContact O-N 2.85Å; D149-L153 VanDerWaalsContact O-N 3.15Å; L150-L153 PolarHBondContact O-N 3.18Å; L153-K155 VanDerWaalsContact C-N 3.34Å; L153-A156 PolarHBondContact O-N 2.91Å
154	A	39.8	Very low	36.5	Very low	66 Å²	66	122.1 Å²	122.1	55%	0.545	65%	0.652	S	S	.	*	G	3₁₀ helix	trans	-65.8	-32.6	169.7	0	0	0	0	0	113.2	L150 A156	L150-A154 WeakPolarHBondContact O-CB 3.29Å; L150-A154 PolarHBondContact O-N 3.22Å; A154-A156 VanDerWaalsContact C-N 3.31Å
155	K	38.9	Very low	36.8	Very low	174 Å²	174	123.8 Å²	123.8	76%	0.757	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-84.7	1.3	177.2	-68.3	172.7	-165.3	156.6	0	114.1	D151 K152 L153	D151-K155 WeakPolarHBondContact O-CD 3.25Å; D151-K155 WeakPolarHBondContact O-CE 3.25Å; D151-K155 WeakPolarHBondContact O-CG 3.07Å; K152-K155 CarbonylContact O-C 3.51Å; K152-K155 PolarHBondContact O-N 3.49Å; K152-K155 VanDerWaalsContact O-N 3.13Å; L153-K155 VanDerWaalsContact C-N 3.34Å
156	A	42.4	Very low	36.9	Very low	73 Å²	73	127.3 Å²	127.3	60%	0.603	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-102.1	1.1	177.7	0	0	0	0	0	113.4	K152 L153 A154	K152-A156 PolarHBondContact O-N 2.88Å; K152-A156 VanDerWaalsContact O-N 3.12Å; L153-A156 PolarHBondContact O-N 2.91Å; A154-A156 VanDerWaalsContact C-N 3.31Å
157	L	32.4	Very low	36.6	Very low	130 Å²	130	127.1 Å²	127.1	68%	0.681	67%	0.67	S	S	*	*	S	Bend	trans	-94.6	119.1	169.8	-73.1	164.4	0	0	0	108.9	E159	L157-E159 PolarHBondContact O-N 2.88Å
158	P	34.3	Very low	36.2	Very low	109 Å²	109	125.9 Å²	125.9	71%	0.708	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-65	124.7	176.5	-21.7	33.6	0	0	0	111.6
159	E	31.8	Very low	35.9	Very low	158 Å²	158	127.5 Å²	127.5	74%	0.738	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-69.6	133.8	170.5	-63.3	-173.6	150.2	0	0	109.8	L157 E161	L157-E159 PolarHBondContact O-N 2.88Å; E159-E161 PolarHBondContact O-N 2.97Å
160	M	35	Very low	35.5	Very low	181 Å²	181	132.6 Å²	132.6	89%	0.892	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	8.7	-175.8	-83.3	-172	-73.2	0	0	114.8
161	E	35.3	Very low	35.4	Very low	147 Å²	147	136.1 Å²	136.1	69%	0.687	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	-5.1	-173.4	-117.7	179.5	127.6	0	0	115.4	E159 K165	E159-E161 PolarHBondContact O-N 2.97Å; E161-K165 PolarHBondContact O-NZ 3.42Å
162	E	37.8	Very low	35.4	Very low	147 Å²	147	140.3 Å²	140.3	69%	0.687	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-30.1	169.9	-65.4	-152.3	128.1	0	0	112.9	A164 K165	E162-A164 PolarHBondContact O-N 2.85Å; E162-K165 PolarHBondContact O-N 3.14Å; E162-K165 VanDerWaalsContact O-N 3.08Å
163	I	38.6	Very low	35	Very low	131 Å²	131	138.9 Å²	138.9	67%	0.672	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-63.3	-27	174.7	-59.9	178.6	0	0	0	111.1	K165	I163-K165 PolarHBondContact O-N 3.4Å
164	A	38.8	Very low	34.9	Very low	86 Å²	86	136.3 Å²	136.3	71%	0.711	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-76.8	1.7	176	0	0	0	0	0	114.9	E162	E162-A164 PolarHBondContact O-N 2.85Å
165	K	38.9	Very low	34.7	Very low	154 Å²	154	141.8 Å²	141.8	67%	0.67	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-117.5	-1.2	-176.3	-72.8	171.6	-175	143.7	0	114.9	E161 E162 I163	E161-K165 PolarHBondContact O-NZ 3.42Å; E162-K165 PolarHBondContact O-N 3.14Å; E162-K165 VanDerWaalsContact O-N 3.08Å; I163-K165 PolarHBondContact O-N 3.4Å
166	L	35.1	Very low	34.5	Very low	148 Å²	148	140.1 Å²	140.1	78%	0.775	74%	0.737	S	S	*	*	S	Bend	trans	-103.6	108.7	174.3	-82	165.5	0	0	0	111.2
167	L	31.4	Very low	33.9	Very low	163 Å²	163	143.6 Å²	143.6	85%	0.853	74%	0.739	S	S	*	*			trans	75	85.9	169.6	-61.4	167.1	0	0	0	117.9
168	P	31.9	Very low	34	Very low	107 Å²	107	142.7 Å²	142.7	70%	0.695	74%	0.739	S	S	*	*			trans	-76.3	-177.8	147	36.9	-35.4	0	0	0	112
169	D	28.6	Very low	34	Very low	143 Å²	143	145.6 Å²	145.6	77%	0.765	74%	0.741	S	S	*	*			trans	62.8	88	163.6	-66.2	2.9	0	0	0	119.1
170	F	28	Very low	34.1	Very low	179 Å²	179	142.2 Å²	142.2	79%	0.785	73%	0.727	S	S	*	*			trans	-130.1	26.1	142.5	-109.6	-64.7	0	0	0	114.6	K172 I173	F170-K172 PolarHBondContact O-N 3.02Å; F170-I173 HydrophobicContact CD1-CD1 4.19Å; F170-I173 HydrophobicContact CD1-CG1 4.2Å; F170-I173 HydrophobicContact CE1-CD1 3.67Å; F170-I173 HydrophobicContact CE1-CG1 4.08Å
171	E	33.7	Very low	33.9	Very low	192 Å²	192	142.3 Å²	142.3	90%	0.897	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	17.8	178.1	-145.1	172.9	-135.2	0	0	114
172	K	34.1	Very low	33.9	Very low	201 Å²	201	138.4 Å²	138.4	87%	0.874	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.3	26.1	-174.6	-78.6	-172.1	174.7	174	0	116.2	F170	F170-K172 PolarHBondContact O-N 3.02Å
173	I	33.4	Very low	33.7	Very low	115 Å²	115	137.3 Å²	137.3	59%	0.59	72%	0.72	S	S	*	*	S	Bend	trans	-122	28.8	157.8	-45.8	-173.8	0	0	0	110.7	F170	F170-I173 HydrophobicContact CD1-CD1 4.19Å; F170-I173 HydrophobicContact CD1-CG1 4.2Å; F170-I173 HydrophobicContact CE1-CD1 3.67Å; F170-I173 HydrophobicContact CE1-CG1 4.08Å
174	G	32.9	Very low	33.3	Very low	59 Å²	59	138.6 Å²	138.6	61%	0.608	73%	0.727	S	S	*	*	S	Bend	trans	-76.5	-30.6	176.7	0	0	0	0	0	114.9
175	E	35.9	Very low	32.9	Very low	181 Å²	181	139.9 Å²	139.9	85%	0.846	73%	0.731	S	S	*	*	S	Bend	trans	-96.7	-10.8	-160.1	-60.6	-170.7	127.9	0	0	115.6	T178	E175-T178 PolarHBondContact O-OG1 3.39Å
176	N	33.8	Very low	32.5	Very low	139 Å²	139	137.9 Å²	137.9	74%	0.743	74%	0.736	S	S	*	*	S	Bend	trans	-100	-2	-175.5	-93.5	-19.4	0	0	0	115.7
177	F	30.8	Very low	31.9	Very low	145 Å²	145	134.4 Å²	134.4	64%	0.636	74%	0.737	S	S	*	*	S	Bend	trans	-104.6	-0.3	-179.7	-102.3	-84.3	0	0	0	115.6	F179 L180	F177-F179 VanDerWaalsContact C-N 3.29Å; F177-F179 PolarHBondContact O-N 2.85Å; F177-L180 HydrophobicContact CD1-CB 4.4Å; F177-L180 HydrophobicContact CD1-CD1 4.23Å; F177-L180 HydrophobicContact CE1-CD1 3.66Å; F177-L180 HydrophobicContact CZ-CD1 4.13Å
178	T	34.7	Very low	31.7	Very low	111 Å²	111	132.5 Å²	132.5	68%	0.681	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-28.7	170.4	48.1	0	0	0	0	112.5	E175	E175-T178 PolarHBondContact O-OG1 3.39Å
179	F	34.3	Very low	31.3	Very low	171 Å²	171	133 Å²	133	75%	0.75	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-38	-178.8	-169.4	-109.8	0	0	0	113.7	F177 K181	F177-F179 VanDerWaalsContact C-N 3.29Å; F177-F179 PolarHBondContact O-N 2.85Å; F179-K181 VanDerWaalsContact C-N 3.34Å; F179-K181 PolarHBondContact O-N 2.96Å
180	L	32.8	Very low	31.2	Very low	86 Å²	86	130.2 Å²	130.2	45%	0.45	72%	0.722	S	S	.	*	G	3₁₀ helix	trans	-78.1	-16	-178.6	-76.8	171.5	0	0	0	114.1	F177 G182 L183	F177-L180 HydrophobicContact CD1-CB 4.4Å; F177-L180 HydrophobicContact CD1-CD1 4.23Å; F177-L180 HydrophobicContact CE1-CD1 3.66Å; F177-L180 HydrophobicContact CZ-CD1 4.13Å; L180-G182 PolarHBondContact O-N 2.88Å; L180-L183 PolarHBondContact O-N 3.39Å
181	K	31.8	Very low	30.9	Very low	184 Å²	184	125.2 Å²	125.2	80%	0.8	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-68.9	-16.1	178.4	-157	169.7	-175.1	176.3	0	113.3	F179	F179-K181 VanDerWaalsContact C-N 3.34Å; F179-K181 PolarHBondContact O-N 2.96Å
182	G	35.2	Very low	30.5	Very low	65 Å²	65	121.2 Å²	121.2	67%	0.67	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-84.9	-14.6	176.9	0	0	0	0	0	115.8	L180	L180-G182 PolarHBondContact O-N 2.88Å
183	L	32.6	Very low	30	Very low	124 Å²	124	119.5 Å²	119.5	65%	0.649	71%	0.71	S	S	*	*	S	Bend	trans	-106.8	-5	-168	-101	164.9	0	0	0	115.6	L180	L180-L183 PolarHBondContact O-N 3.39Å
184	L	30.8	Very low	29.6	Very low	158 Å²	158	120.1 Å²	120.1	83%	0.827	72%	0.718	S	S	*	*	S	Bend	trans	-112.3	8.5	-178.4	-67.1	172.7	0	0	0	113.9	S186	L184-S186 VanDerWaalsContact C-N 3.27Å; L184-S186 PolarHBondContact O-N 2.85Å
185	S	29.5	Very low	29.2	Very low	113 Å²	113	125.9 Å²	125.9	79%	0.79	73%	0.727	S	S	*	*	S	Bend	trans	-84.6	13.2	-177.6	-168.8	0	0	0	0	114.6
186	S	30.3	Very low	28.6	Very low	111 Å²	111	120.5 Å²	120.5	78%	0.776	72%	0.72	S	S	*	*			trans	-146.3	87.4	-175.8	59.3	0	0	0	0	112.4	L184	L184-S186 VanDerWaalsContact C-N 3.27Å; L184-S186 PolarHBondContact O-N 2.85Å
187	G	23.8	Very low	28.1	Very low	76 Å²	76	121 Å²	121	78%	0.784	73%	0.727	S	S	*	*			trans	-163.1	108.9	177.3	0	0	0	0	0	112
188	V	26	Very low	27.8	Very low	122 Å²	122	119.7 Å²	119.7	74%	0.739	74%	0.736	S	S	*	*			trans	-76	144.3	-177	172.7	0	0	0	0	111.9	L190	V188-L190 HydrophobicContact CG1-CD1 4.09Å
189	S	23.5	Very low	27.4	Very low	117 Å²	117	117.8 Å²	117.8	82%	0.818	74%	0.739	S	S	*	*			trans	-153.2	120.9	144.5	-158.4	0	0	0	0	111.7
190	L	27.1	Very low	27	Very low	85 Å²	85	118 Å²	118	45%	0.445	75%	0.747	S	S	.	*			trans	-91.3	135.7	166.5	-89.7	73.3	0	0	0	109.3	V188	V188-L190 HydrophobicContact CG1-CD1 4.09Å
191	G	21.9	Very low	26.6	Very low	74 Å²	74	122 Å²	122	76%	0.763	76%	0.763	S	S	*	*			trans	-135.7	91.7	177	0	0	0	0	0	111.9
192	S	25.3	Very low	26.3	Very low	109 Å²	109	119.7 Å²	119.7	76%	0.762	76%	0.759	S	S	*	*			trans	-4.3	137.5	166.7	59.3	0	0	0	0	119.8
193	E	23.3	Very low	25.8	Very low	165 Å²	165	124.8 Å²	124.8	77%	0.771	77%	0.77	S	S	*	*				-148.6	129.9	111.8	-125.2	-174.2	155.7	0	0	113
194	V	26.2	Very low	25.4	Very low	128 Å²	128	126.3 Å²	126.3	78%	0.776	77%	0.774	S	S	*	*			trans	-115.3	126.4	160.4	170.6	0	0	0	0	106.7
195	K	23.8	Very low	25	Very low	180 Å²	180	126.1 Å²	126.1	78%	0.783	77%	0.773	S	S	*	*			trans	-147.4	114.5	155.8	-114.8	162	-167.3	152.9	0	109.8
196	G	23.3	Very low	24.8	Very low	68 Å²	68	126 Å²	126	70%	0.701	77%	0.772	S	S	*	*			trans	-72.2	156.8	171	0	0	0	0	0	111.2
197	V	23.7	Very low	24.6	Very low	148 Å²	148	124.7 Å²	124.7	90%	0.897	78%	0.777	S	S	*	*			trans	-96.8	117.4	164.9	176.8	0	0	0	0	107.7
198	S	24.9	Very low	24.6	Very low	118 Å²	118	128.2 Å²	128.2	83%	0.825	78%	0.778	S	S	*	*			trans	-111.2	124.6	167.9	-69	0	0	0	0	108.6
199	G	26	Very low	25.1	Very low	72 Å²	72	128.1 Å²	128.1	74%	0.742	78%	0.78	S	S	*	*			trans	145.6	83.8	167.1	0	0	0	0	0	116.4
200	L	24.2	Very low	25.2	Very low	174 Å²	174	126.1 Å²	126.1	91%	0.911	77%	0.77	S	S	*	*				-151.5	165.5	127.4	-138.4	73.1	0	0	0	110.7
201	H	25.5	Very low	25.1	Very low	170 Å²	170	129.9 Å²	129.9	79%	0.787	79%	0.79	S	S	*	*			trans	-90.5	136	-163.9	-81.7	-114.6	0	0	0	114.4
202	L	24.9	Very low	25.3	Very low	136 Å²	136	136.2 Å²	136.2	71%	0.712	80%	0.796	S	S	*	*				31	112.5	115.7	-126.3	163.6	0	0	0	117.6	E204	L202-E204 HydrophobicContact CD2-CG 3.81Å
203	L	25.4	Very low	25.5	Very low	173 Å²	173	135.5 Å²	135.5	91%	0.906	80%	0.797	S	S	*	*			trans	-140.8	128.1	147.1	-114.4	170.3	0	0	0	107.8
204	E	23.7	Very low	25.7	Very low	156 Å²	156	134.4 Å²	134.4	73%	0.729	80%	0.801	S	S	*	*			trans	-85.4	146.1	-179.8	-63	174.3	101.1	0	0	111.2	L202	L202-E204 HydrophobicContact CD2-CG 3.81Å
205	N	23.9	Very low	25.7	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	81%	0.805	S	S	*	*				-166.7	133.8	120	-105.1	-28.8	0	0	0	114.7
206	S	24.8	Very low	25.8	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	81%	0.81	S	S	*	*			trans	2.9	137.5	150.1	60.4	0	0	0	0	121
207	G	24.9	Very low	25.9	Very low	85 Å²	85	135.3 Å²	135.3	88%	0.876	81%	0.813	S	S	*	*			trans	161.4	81.8	152.4	0	0	0	0	0	117.2
208	D	25	Very low	26.3	Very low	150 Å²	150	134.5 Å²	134.5	80%	0.802	81%	0.809	S	S	*	*			trans	-122.3	138.6	159.2	-147.1	-21	0	0	0	106.1	A210	D208-A210 PolarHBondContact OD1-N 3.48Å
209	P	36.6	Very low	26.5	Very low	120 Å²	120	134.1 Å²	134.1	78%	0.779	81%	0.813	S	S	*	*				-152.8	136.7	91	37.5	-17.8	0	0	0	117.6
210	A	24.3	Very low	26.6	Very low	75 Å²	75	134 Å²	134	62%	0.62	81%	0.805	S	S	*	*				66.4	134.9	124.5	0	0	0	0	0	123.9	D208	D208-A210 PolarHBondContact OD1-N 3.48Å
211	L	25	Very low	26.8	Very low	163 Å²	163	130.3 Å²	130.3	85%	0.853	80%	0.799	S	S	*	*			trans	66.2	100.9	141.7	-70.2	167.6	0	0	0	121.2
212	K	26.4	Very low	27.1	Very low	208 Å²	208	130.9 Å²	130.9	90%	0.904	80%	0.802	S	S	*	*				-174.7	164.1	95.5	-102.3	177.9	-179.3	179	0	112.6
213	A	30.7	Very low	27.4	Very low	93 Å²	93	129 Å²	129	77%	0.769	79%	0.793	S	S	*	*			trans	-135.9	147.3	174.6	0	0	0	0	0	111
214	T	27.2	Very low	27.7	Very low	142 Å²	142	124.2 Å²	124.2	87%	0.871	77%	0.771	S	S	*	*			trans	-165.1	144	157.2	22.7	0	0	0	0	108.8
215	D	25.8	Very low	28.2	Very low	158 Å²	158	120.7 Å²	120.7	85%	0.845	76%	0.763	S	S	*	*			trans	-85.9	155.3	-170.4	-53.1	-89.8	0	0	0	115.2
216	S	25.3	Very low	28.7	Very low	127 Å²	127	117.2 Å²	117.2	89%	0.888	75%	0.745	S	S	*	*			trans	-157.2	145	130.7	-2.7	0	0	0	0	110.7
217	S	27.1	Very low	29.2	Very low	111 Å²	111	117.9 Å²	117.9	78%	0.776	73%	0.734	S	S	*	*			trans	-103.7	172.3	-179.8	57.3	0	0	0	0	110.2
218	T	31	Very low	29.6	Very low	130 Å²	130	120.3 Å²	120.3	80%	0.798	72%	0.722	S	S	*	*			cis	-148.4	117.1	20.6	44.6	0	0	0	0	112.1
219	A	28.6	Very low	30.2	Very low	110 Å²	110	121.3 Å²	121.3	91%	0.909	72%	0.716	S	S	*	*	S	Bend	trans	-163.9	18.8	164.9	0	0	0	0	0	116.6
220	A	28.8	Very low	30.1	Very low	70 Å²	70	121.4 Å²	121.4	58%	0.579	70%	0.704	S	S	*	*			trans	-131.9	40.5	-164.6	0	0	0	0	0	115.6	V224	A220-V224 HydrophobicContact CB-CG2 4.45Å; A220-V224 VanDerWaalsContact O-CG2 3.31Å; A220-V224 WeakPolarHBondContact O-CG2 3.41Å
221	A	28.5	Very low	30.8	Very low	96 Å²	96	125.9 Å²	125.9	79%	0.793	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-27.1	-171	0	0	0	0	0	115.9
222	H	31.3	Very low	31.5	Very low	182 Å²	182	120 Å²	120	84%	0.843	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	-29.6	-169.6	-111	-72.7	0	0	0	115.5
223	D	32.5	Very low	32.3	Very low	97 Å²	97	114.3 Å²	114.3	52%	0.519	67%	0.667	S	S	.	*	H	α-helix	trans	-93.1	-15.8	-171.4	-166	54.4	0	0	0	113.6	K227	D223-K227 IonicContact OD1-NZ 2.74Å; D223-K227 IonicContact OD2-NZ 3.21Å; D223-K227 PolarHBondContact OD2-NZ 3.19Å
224	V	31.5	Very low	32.8	Very low	73 Å²	73	115.2 Å²	115.2	44%	0.442	66%	0.658	S	S	.	*	H	α-helix	trans	-73.3	-40.9	177.3	176.4	0	0	0	0	111.4	A220 D226 K227 Q228	A220-V224 HydrophobicContact CB-CG2 4.45Å; A220-V224 VanDerWaalsContact O-CG2 3.31Å; A220-V224 WeakPolarHBondContact O-CG2 3.41Å; V224-D226 PolarHBondContact O-N 2.99Å; V224-K227 PolarHBondContact O-N 3.09Å; V224-Q228 VanDerWaalsContact O-CB 3.23Å; V224-Q228 WeakPolarHBondContact O-CB 3.46Å; V224-Q228 PolarHBondContact O-N 2.76Å
225	S	33.8	Very low	33.5	Very low	82 Å²	82	110.3 Å²	110.3	57%	0.573	64%	0.636	S	S	*	*	H	α-helix	trans	-56.2	-50.4	-176.3	-175.8	0	0	0	0	112.4	K227 Q228 Y229	S225-K227 PolarHBondContact O-N 2.85Å; S225-Q228 PolarHBondContact O-N 2.95Å; S225-Y229 WeakPolarHBondContact O-CB 3.17Å; S225-Y229 PolarHBondContact O-N 2.84Å
226	D	34.5	Very low	34.4	Very low	80 Å²	80	108.9 Å²	108.9	43%	0.428	63%	0.625	S	S	.	*	H	α-helix	trans	-68.4	-38.4	-176.5	-175.4	62.4	0	0	0	112.4	V224 K230	V224-D226 PolarHBondContact O-N 2.99Å; D226-K230 WeakPolarHBondContact O-CB 3.44Å; D226-K230 WeakPolarHBondContact O-CD 3.09Å; D226-K230 VanDerWaalsContact O-CG 3.27Å; D226-K230 WeakPolarHBondContact O-CG 3.38Å; D226-K230 PolarHBondContact O-N 3.27Å; D226-K230 WeakPolarHBondContact OD1-CE 3.48Å; D226-K230 IonicContact OD1-NZ 3.68Å; D226-K230 PolarHBondContact OD1-NZ 2.72Å; D226-K230 WeakPolarHBondContact OD2-CE 3.33Å; D226-K230 IonicContact OD2-NZ 3.72Å; D226-K230 PolarHBondContact OD2-NZ 3.28Å
227	K	34.5	Very low	35.3	Very low	124 Å²	124	107.9 Å²	107.9	54%	0.539	61%	0.609	S	S	.	*	H	α-helix	trans	-67.4	-35	173.1	-74.9	168.2	180	161.9	0	112.5	D223 V224 S225 K231	D223-K227 IonicContact OD1-NZ 2.74Å; D223-K227 IonicContact OD2-NZ 3.21Å; D223-K227 PolarHBondContact OD2-NZ 3.19Å; V224-K227 PolarHBondContact O-N 3.09Å; S225-K227 PolarHBondContact O-N 2.85Å; K227-K231 PolarHBondContact O-N 3.26Å
228	Q	33.2	Very low	36.3	Very low	136 Å²	136	107.4 Å²	107.4	64%	0.636	60%	0.597	S	S	*	*	H	α-helix	trans	-76.3	-37.4	179	-165.6	162.9	0.8	0	0	111.7	V224 S225 K231 G232	V224-Q228 VanDerWaalsContact O-CB 3.23Å; V224-Q228 WeakPolarHBondContact O-CB 3.46Å; V224-Q228 PolarHBondContact O-N 2.76Å; S225-Q228 PolarHBondContact O-N 2.95Å; Q228-K231 PolarHBondContact O-N 3.46Å; Q228-G232 PolarHBondContact O-N 3.47Å
229	Y	37.4	Very low	37	Very low	170 Å²	170	107 Å²	107	67%	0.667	58%	0.584	S	S	*	*	H	α-helix	trans	-64.8	-44.1	172.4	-152.2	-96.6	0	0	0	111.5	S225 K231 G232 L233	S225-Y229 WeakPolarHBondContact O-CB 3.17Å; S225-Y229 PolarHBondContact O-N 2.84Å; Y229-K231 PolarHBondContact O-N 3.24Å; Y229-G232 PolarHBondContact O-N 2.9Å; Y229-L233 HydrophobicContact CD1-CD1 3.88Å; Y229-L233 HydrophobicContact CE1-CD1 3.93Å; Y229-L233 PolarHBondContact O-N 3.12Å
230	K	35.5	Very low	38	Very low	122 Å²	122	105.8 Å²	105.8	53%	0.53	56%	0.561	S	S	.	*	H	α-helix	trans	-63.7	-37.6	174.4	-74	167.3	-178.2	169.1	0	112.6	D226 L234	D226-K230 WeakPolarHBondContact O-CB 3.44Å; D226-K230 WeakPolarHBondContact O-CD 3.09Å; D226-K230 VanDerWaalsContact O-CG 3.27Å; D226-K230 WeakPolarHBondContact O-CG 3.38Å; D226-K230 PolarHBondContact O-N 3.27Å; D226-K230 WeakPolarHBondContact OD1-CE 3.48Å; D226-K230 IonicContact OD1-NZ 3.68Å; D226-K230 PolarHBondContact OD1-NZ 2.72Å; D226-K230 WeakPolarHBondContact OD2-CE 3.33Å; D226-K230 IonicContact OD2-NZ 3.72Å; D226-K230 PolarHBondContact OD2-NZ 3.28Å; K230-L234 WeakPolarHBondContact O-CB 3.34Å; K230-L234 PolarHBondContact O-N 2.84Å; K230-L234 VanDerWaalsContact O-N 3.07Å
231	K	38.3	Very low	38.5	Very low	170 Å²	170	107.8 Å²	107.8	74%	0.739	56%	0.558	S	S	*	*	H	α-helix	trans	-65.8	-37.9	170.9	-85.2	-171	172.8	-174.2	0	113.2	K227 Q228 Y229 L234 G235	K227-K231 PolarHBondContact O-N 3.26Å; Q228-K231 PolarHBondContact O-N 3.46Å; Y229-K231 PolarHBondContact O-N 3.24Å; K231-L234 PolarHBondContact O-N 3.05Å; K231-G235 PolarHBondContact O-N 2.96Å
232	G	40.6	Very low	39.4	Very low	39 Å²	39	107.4 Å²	107.4	40%	0.402	54%	0.54	S	S	.	.	H	α-helix	trans	-59.8	-54	175	0	0	0	0	0	112.1	Q228 Y229 L234 G235 E236	Q228-G232 PolarHBondContact O-N 3.47Å; Y229-G232 PolarHBondContact O-N 2.9Å; G232-L234 VanDerWaalsContact C-N 3.32Å; G232-L234 PolarHBondContact O-N 3.24Å; G232-G235 WeakPolarHBondContact O-CA 3.31Å; G232-G235 PolarHBondContact O-N 3.34Å; G232-E236 PolarHBondContact O-N 2.98Å
233	L	43.2	Very low	40.1	Very low	89 Å²	89	103 Å²	103	47%	0.466	52%	0.52	S	S	.	.	H	α-helix	trans	-58.8	-39.3	177	-82.1	162.6	0	0	0	113	Y229 G235 L237	Y229-L233 HydrophobicContact CD1-CD1 3.88Å; Y229-L233 HydrophobicContact CE1-CD1 3.93Å; Y229-L233 PolarHBondContact O-N 3.12Å; L233-G235 VanDerWaalsContact C-N 3.34Å; L233-L237 WeakPolarHBondContact O-CB 3.35Å; L233-L237 PolarHBondContact O-N 2.95Å
234	L	40.2	Very low	40.8	Very low	111 Å²	111	102.5 Å²	102.5	58%	0.581	52%	0.517	S	S	*	.	H	α-helix	trans	-65.2	-38.7	175	-136	81.8	0	0	0	111.9	K230 K231 G232 L237 I238	K230-L234 WeakPolarHBondContact O-CB 3.34Å; K230-L234 PolarHBondContact O-N 2.84Å; K230-L234 VanDerWaalsContact O-N 3.07Å; K231-L234 PolarHBondContact O-N 3.05Å; G232-L234 VanDerWaalsContact C-N 3.32Å; G232-L234 PolarHBondContact O-N 3.24Å; L234-L237 PolarHBondContact O-N 2.84Å; L234-I238 WeakPolarHBondContact O-CB 3.5Å; L234-I238 WeakPolarHBondContact O-CD1 3.45Å; L234-I238 VanDerWaalsContact O-CG1 3.23Å; L234-I238 WeakPolarHBondContact O-CG1 3.36Å; L234-I238 PolarHBondContact O-N 2.99Å
235	G	43	Very low	41.4	Very low	40 Å²	40	104.5 Å²	104.5	41%	0.412	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-44.1	176.8	0	0	0	0	0	112.9	K231 G232 L233 I238 F239	K231-G235 PolarHBondContact O-N 2.96Å; G232-G235 WeakPolarHBondContact O-CA 3.31Å; G232-G235 PolarHBondContact O-N 3.34Å; L233-G235 VanDerWaalsContact C-N 3.34Å; G235-I238 PolarHBondContact O-N 2.69Å; G235-F239 WeakPolarHBondContact O-CB 3.23Å; G235-F239 PolarHBondContact O-N 3.18Å
236	E	44.6	Very low	42	Very low	128 Å²	128	105.6 Å²	105.6	60%	0.598	51%	0.513	S	S	*	.	H	α-helix	trans	-65.2	-42.1	175	-68.4	-172.7	142.5	0	0	111.9	G232 I238 F239 I240	G232-E236 PolarHBondContact O-N 2.98Å; E236-I238 PolarHBondContact O-N 3.39Å; E236-F239 PolarHBondContact O-N 2.93Å; E236-I240 WeakPolarHBondContact O-CB 3.45Å; E236-I240 VanDerWaalsContact O-CG1 3.29Å; E236-I240 WeakPolarHBondContact O-CG1 3.46Å; E236-I240 PolarHBondContact O-N 2.79Å
237	L	44	Very low	42.7	Very low	106 Å²	106	108 Å²	108	56%	0.555	52%	0.521	S	S	*	.	H	α-helix	trans	-59.1	-45.6	173.7	-95.2	159.3	0	0	0	112.3	L233 L234 I240 Q241	L233-L237 WeakPolarHBondContact O-CB 3.35Å; L233-L237 PolarHBondContact O-N 2.95Å; L234-L237 PolarHBondContact O-N 2.84Å; L237-I240 PolarHBondContact O-N 3.37Å; L237-Q241 WeakPolarHBondContact O-CB 3.25Å; L237-Q241 PolarHBondContact O-N 3.47Å
238	I	47.9	Very low	43.3	Very low	101 Å²	101	107.1 Å²	107.1	52%	0.518	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-41	176.9	-70.6	164.1	0	0	0	111	L234 G235 E236 Q241 Q242	L234-I238 WeakPolarHBondContact O-CB 3.5Å; L234-I238 WeakPolarHBondContact O-CD1 3.45Å; L234-I238 VanDerWaalsContact O-CG1 3.23Å; L234-I238 WeakPolarHBondContact O-CG1 3.36Å; L234-I238 PolarHBondContact O-N 2.99Å; G235-I238 PolarHBondContact O-N 2.69Å; E236-I238 PolarHBondContact O-N 3.39Å; I238-Q241 PolarHBondContact O-N 2.88Å; I238-Q242 WeakPolarHBondContact O-CB 3.47Å; I238-Q242 PolarHBondContact O-N 3.42Å
239	F	45.7	Very low	44.2	Very low	120 Å²	120	105.1 Å²	105.1	53%	0.526	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-42.8	176.6	-172.4	-99.4	0	0	0	111.9	G235 E236 Q242 Q243	G235-F239 WeakPolarHBondContact O-CB 3.23Å; G235-F239 PolarHBondContact O-N 3.18Å; E236-F239 PolarHBondContact O-N 2.93Å; F239-Q242 PolarHBondContact O-N 2.8Å; F239-Q243 HydrophobicContact CD1-CG 4.31Å; F239-Q243 HydrophobicContact CE1-CG 4.15Å; F239-Q243 WeakPolarHBondContact O-CG 3.34Å; F239-Q243 PolarHBondContact O-N 2.85Å
240	I	48.9	Very low	45	Very low	86 Å²	86	101.3 Å²	101.3	44%	0.441	50%	0.498	S	S	.	.	H	α-helix	trans	-66.9	-43.9	176.9	-68.7	164.6	0	0	0	111.2	E236 L237 Q242 Q243 I244	E236-I240 WeakPolarHBondContact O-CB 3.45Å; E236-I240 VanDerWaalsContact O-CG1 3.29Å; E236-I240 WeakPolarHBondContact O-CG1 3.46Å; E236-I240 PolarHBondContact O-N 2.79Å; L237-I240 PolarHBondContact O-N 3.37Å; I240-Q242 PolarHBondContact O-N 2.88Å; I240-Q243 WeakPolarHBondContact O-CB 3.44Å; I240-Q243 PolarHBondContact O-N 2.82Å; I240-I244 HydrophobicContact CG2-CD1 3.99Å; I240-I244 WeakPolarHBondContact O-CG1 3.5Å; I240-I244 PolarHBondContact O-N 2.86Å
241	Q	40.3	Very low	45.9	Very low	111 Å²	111	100.4 Å²	100.4	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-55.7	-42.3	174.3	-165.5	80.9	17.5	0	0	111.2	L237 I238 I244 Q245	L237-Q241 WeakPolarHBondContact O-CB 3.25Å; L237-Q241 PolarHBondContact O-N 3.47Å; I238-Q241 PolarHBondContact O-N 2.88Å; Q241-I244 PolarHBondContact O-N 2.82Å; Q241-Q245 PolarHBondContact O-N 2.82Å
242	Q	46.6	Very low	46.4	Very low	89 Å²	89	99 Å²	99	42%	0.416	49%	0.492	S	S	.	.	H	α-helix	trans	-74.8	-28.5	-179.2	-162.5	179.5	82.2	0	0	113.1	I238 F239 I240 R246	I238-Q242 WeakPolarHBondContact O-CB 3.47Å; I238-Q242 PolarHBondContact O-N 3.42Å; F239-Q242 PolarHBondContact O-N 2.8Å; I240-Q242 PolarHBondContact O-N 2.88Å; Q242-R246 WeakPolarHBondContact O-CG 3.29Å; Q242-R246 PolarHBondContact O-N 2.86Å
243	Q	45.4	Very low	47.2	Very low	88 Å²	88	103.6 Å²	103.6	41%	0.411	50%	0.498	S	S	.	.	H	α-helix	trans	-65.8	-46.6	168.3	-71.3	-74.9	-8.4	0	0	111.1	F239 I240 Q245 R246 H247	F239-Q243 HydrophobicContact CD1-CG 4.31Å; F239-Q243 HydrophobicContact CE1-CG 4.15Å; F239-Q243 WeakPolarHBondContact O-CG 3.34Å; F239-Q243 PolarHBondContact O-N 2.85Å; I240-Q243 WeakPolarHBondContact O-CB 3.44Å; I240-Q243 PolarHBondContact O-N 2.82Å; Q243-Q245 PolarHBondContact O-N 3.24Å; Q243-R246 PolarHBondContact O-N 3.01Å; Q243-H247 PolarHBondContact O-N 3.09Å; Q243-H247 VanDerWaalsContact O-N 3.12Å
244	I	46.8	Very low	47.9	Very low	88 Å²	88	101.8 Å²	101.8	45%	0.451	50%	0.496	S	S	.	.	H	α-helix	trans	-60.4	-45.4	179.2	-67.1	165.5	0	0	0	110.8	I240 Q241 R246 H247 E248	I240-I244 HydrophobicContact CG2-CD1 3.99Å; I240-I244 WeakPolarHBondContact O-CG1 3.5Å; I240-I244 PolarHBondContact O-N 2.86Å; Q241-I244 PolarHBondContact O-N 2.82Å; I244-R246 VanDerWaalsContact C-N 3.34Å; I244-R246 PolarHBondContact O-N 3.17Å; I244-H247 PolarHBondContact O-N 3.03Å; I244-E248 PolarHBondContact O-N 2.86Å
245	Q	44.3	Very low	48.4	Very low	115 Å²	115	99.3 Å²	99.3	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-61.3	-38.1	177.1	-76	-177.4	-40.2	0	0	113.3	Q241 Q243 E249	Q241-Q245 PolarHBondContact O-N 2.82Å; Q243-Q245 PolarHBondContact O-N 3.24Å; Q245-E249 PolarHBondContact O-N 3.1Å
246	R	46.5	Very low	48.6	Very low	105 Å²	105	99.9 Å²	99.9	40%	0.396	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-47.2	175.5	-73.4	179.4	-167.6	122.9	8.7	112	Q242 Q243 I244 E249 E250	Q242-R246 WeakPolarHBondContact O-CG 3.29Å; Q242-R246 PolarHBondContact O-N 2.86Å; Q243-R246 PolarHBondContact O-N 3.01Å; I244-R246 VanDerWaalsContact C-N 3.34Å; I244-R246 PolarHBondContact O-N 3.17Å; R246-E249 PolarHBondContact O-N 3.28Å; R246-E250 VanDerWaalsContact O-CG 3.31Å; R246-E250 WeakPolarHBondContact O-CG 3.17Å; R246-E250 PolarHBondContact O-N 2.84Å
247	H	49.9	Very low	48.9	Very low	130 Å²	130	96.1 Å²	96.1	60%	0.602	48%	0.482	S	S	*	.	H	α-helix	trans	-66.6	-37.4	178.3	-99.9	7.2	0	0	0	112.7	Q243 I244 E249 E250 V251	Q243-H247 PolarHBondContact O-N 3.09Å; Q243-H247 VanDerWaalsContact O-N 3.12Å; I244-H247 PolarHBondContact O-N 3.03Å; H247-E249 VanDerWaalsContact C-N 3.34Å; H247-E249 PolarHBondContact O-N 2.85Å; H247-E250 IonicContact CE1-OE2 3.76Å; H247-E250 IonicContact CG-OE2 3.84Å; H247-E250 IonicContact ND1-OE2 3.39Å; H247-E250 PolarHBondContact ND1-OE2 2.65Å; H247-E250 PolarHBondContact O-N 3.3Å; H247-V251 WeakPolarHBondContact O-CG2 3.23Å; H247-V251 PolarHBondContact O-N 3.32Å
248	E	47.7	Very low	49.3	Very low	106 Å²	106	96.5 Å²	96.5	50%	0.495	49%	0.485	S	S	.	.	H	α-helix	trans	-60.8	-42.4	170.5	-80.4	-160.1	173.2	0	0	112.2	I244 R252	I244-E248 PolarHBondContact O-N 2.86Å; E248-R252 WeakPolarHBondContact O-CB 3.35Å; E248-R252 PolarHBondContact O-N 2.77Å; E248-R252 IonicContact OE2-NH2 2.59Å; E248-R252 PolarHBondContact OE2-NH2 2.97Å
249	E	50.7	Low	49.2	Very low	93 Å²	93	95.2 Å²	95.2	44%	0.435	49%	0.485	S	S	.	.	H	α-helix	trans	-65.4	-37.3	174.4	-80.7	-168.6	-172.9	0	0	113.1	Q245 R246 H247 R252 R253	Q245-E249 PolarHBondContact O-N 3.1Å; R246-E249 PolarHBondContact O-N 3.28Å; H247-E249 VanDerWaalsContact C-N 3.34Å; H247-E249 PolarHBondContact O-N 2.85Å; E249-R252 CarbonylContact O-C 3.6Å; E249-R252 PolarHBondContact O-N 2.89Å; E249-R253 WeakPolarHBondContact O-CB 3.19Å; E249-R253 VanDerWaalsContact O-CG 3.27Å; E249-R253 WeakPolarHBondContact O-CG 3.29Å; E249-R253 PolarHBondContact O-N 2.77Å; E249-R253 IonicContact OE2-CZ 3.62Å; E249-R253 IonicContact OE2-NE 3.64Å; E249-R253 IonicContact OE2-NH2 2.72Å; E249-R253 PolarHBondContact OE2-NH2 3.14Å
250	E	54.2	Low	49.1	Very low	90 Å²	90	92.3 Å²	92.3	42%	0.421	48%	0.483	S	S	.	.	H	α-helix	trans	-67.2	-42.9	178	-74.4	166.7	158.3	0	0	111.3	R246 H247 R252 R253 A254	R246-E250 VanDerWaalsContact O-CG 3.31Å; R246-E250 WeakPolarHBondContact O-CG 3.17Å; R246-E250 PolarHBondContact O-N 2.84Å; H247-E250 IonicContact CE1-OE2 3.76Å; H247-E250 IonicContact CG-OE2 3.84Å; H247-E250 IonicContact ND1-OE2 3.39Å; H247-E250 PolarHBondContact ND1-OE2 2.65Å; H247-E250 PolarHBondContact O-N 3.3Å; E250-R252 VanDerWaalsContact C-N 3.34Å; E250-R252 PolarHBondContact O-N 2.93Å; E250-R253 PolarHBondContact O-N 3.48Å; E250-A254 WeakPolarHBondContact O-CB 3.36Å; E250-A254 PolarHBondContact O-N 3.03Å
251	V	54.6	Low	49	Very low	103 Å²	103	94.9 Å²	94.9	62%	0.624	49%	0.493	S	S	*	.	H	α-helix	trans	-62.3	-41.1	170.9	171.9	0	0	0	0	111	H247 A254 A255	H247-V251 WeakPolarHBondContact O-CG2 3.23Å; H247-V251 PolarHBondContact O-N 3.32Å; V251-A254 PolarHBondContact O-N 2.68Å; V251-A255 WeakPolarHBondContact O-CB 3.49Å; V251-A255 PolarHBondContact O-N 2.86Å
252	R	49.8	Very low	49.1	Very low	140 Å²	140	95 Å²	95	53%	0.528	50%	0.502	S	S	.	.	H	α-helix	trans	-66.9	-37.4	177.5	-163.6	179.4	-60.7	124.4	2.9	112.1	E248 E249 E250 A256	E248-R252 WeakPolarHBondContact O-CB 3.35Å; E248-R252 PolarHBondContact O-N 2.77Å; E248-R252 IonicContact OE2-NH2 2.59Å; E248-R252 PolarHBondContact OE2-NH2 2.97Å; E249-R252 CarbonylContact O-C 3.6Å; E249-R252 PolarHBondContact O-N 2.89Å; E250-R252 VanDerWaalsContact C-N 3.34Å; E250-R252 PolarHBondContact O-N 2.93Å; R252-A256 WeakPolarHBondContact O-CB 3.33Å; R252-A256 PolarHBondContact O-N 2.98Å
253	R	58	Low	48.6	Very low	137 Å²	137	95.8 Å²	95.8	52%	0.517	52%	0.517	S	S	.	.	H	α-helix	trans	-69.1	-40.1	172.6	-75.3	-178.7	-121.5	131.6	-2.6	111.8	E249 E250 A256 A257	E249-R253 WeakPolarHBondContact O-CB 3.19Å; E249-R253 VanDerWaalsContact O-CG 3.27Å; E249-R253 WeakPolarHBondContact O-CG 3.29Å; E249-R253 PolarHBondContact O-N 2.77Å; E249-R253 IonicContact OE2-CZ 3.62Å; E249-R253 IonicContact OE2-NE 3.64Å; E249-R253 IonicContact OE2-NH2 2.72Å; E249-R253 PolarHBondContact OE2-NH2 3.14Å; E250-R253 PolarHBondContact O-N 3.48Å; R253-A256 PolarHBondContact O-N 2.9Å; R253-A257 WeakPolarHBondContact O-CB 2.98Å; R253-A257 PolarHBondContact O-N 3.36Å
254	A	57	Low	48.4	Very low	51 Å²	51	95.6 Å²	95.6	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-65.4	-41.8	174.9	0	0	0	0	0	112.1	E250 V251 A257 N258	E250-A254 WeakPolarHBondContact O-CB 3.36Å; E250-A254 PolarHBondContact O-N 3.03Å; V251-A254 PolarHBondContact O-N 2.68Å; A254-A257 PolarHBondContact O-N 3.43Å; A254-N258 PolarHBondContact O-N 3.1Å
255	A	49.7	Very low	48.2	Very low	58 Å²	58	99.5 Å²	99.5	48%	0.479	54%	0.542	S	S	.	.	H	α-helix	trans	-62.1	-43.5	172.7	0	0	0	0	0	111.8	V251 N258 S259	V251-A255 WeakPolarHBondContact O-CB 3.49Å; V251-A255 PolarHBondContact O-N 2.86Å; A255-N258 PolarHBondContact O-N 3.27Å; A255-S259 PolarHBondContact O-N 3.07Å
256	A	48.7	Very low	47.9	Very low	53 Å²	53	103 Å²	103	44%	0.438	56%	0.558	S	S	.	*	H	α-helix	trans	-61.3	-44.4	175.2	0	0	0	0	0	112.2	R252 R253 N258 S259 A260	R252-A256 WeakPolarHBondContact O-CB 3.33Å; R252-A256 PolarHBondContact O-N 2.98Å; R253-A256 PolarHBondContact O-N 2.9Å; A256-N258 VanDerWaalsContact C-N 3.35Å; A256-N258 PolarHBondContact O-N 3.35Å; A256-S259 PolarHBondContact O-N 2.93Å; A256-S259 VanDerWaalsContact O-N 3.11Å; A256-S259 PolarHBondContact O-OG 2.78Å; A256-A260 PolarHBondContact O-N 3.44Å
257	A	50.9	Low	47.4	Very low	48 Å²	48	109.7 Å²	109.7	40%	0.397	58%	0.583	S	S	.	*	H	α-helix	trans	-60.2	-41.7	176.4	0	0	0	0	0	112.5	R253 A254 S259 A260 H261	R253-A257 WeakPolarHBondContact O-CB 2.98Å; R253-A257 PolarHBondContact O-N 3.36Å; A254-A257 PolarHBondContact O-N 3.43Å; A257-S259 VanDerWaalsContact C-N 3.32Å; A257-S259 PolarHBondContact O-N 2.9Å; A257-A260 PolarHBondContact O-N 2.96Å; A257-H261 PolarHBondContact O-CD2 3.03Å; A257-H261 PolarHBondContact O-N 3.3Å
258	N	52	Low	46.7	Very low	115 Å²	115	108.7 Å²	108.7	62%	0.615	60%	0.597	S	S	*	*	H	α-helix	trans	-65.6	-32.7	174.6	-75	-21.6	0	0	0	112.7	A254 A255 A256 T262	A254-N258 PolarHBondContact O-N 3.1Å; A255-N258 PolarHBondContact O-N 3.27Å; A256-N258 VanDerWaalsContact C-N 3.35Å; A256-N258 PolarHBondContact O-N 3.35Å; N258-T262 PolarHBondContact O-N 2.98Å; N258-T262 PolarHBondContact O-OG1 2.92Å
259	S	44.8	Very low	46.3	Very low	73 Å²	73	107.9 Å²	107.9	51%	0.51	61%	0.609	S	S	.	*	H	α-helix	trans	-72	-28.5	173.6	74.7	0	0	0	0	113.8	A255 A256 A257 T262	A255-S259 PolarHBondContact O-N 3.07Å; A256-S259 PolarHBondContact O-N 2.93Å; A256-S259 VanDerWaalsContact O-N 3.11Å; A256-S259 PolarHBondContact O-OG 2.78Å; A257-S259 VanDerWaalsContact C-N 3.32Å; A257-S259 PolarHBondContact O-N 2.9Å; S259-T262 PolarHBondContact O-OG1 3.34Å; S259-T262 VanDerWaalsContact O-OG1 3.13Å
260	A	43.5	Very low	45.7	Very low	59 Å²	59	110.4 Å²	110.4	49%	0.488	63%	0.625	S	S	.	*	H	α-helix	trans	-74.6	-32.7	175.4	0	0	0	0	0	112.6	A256 A257 S263	A256-A260 PolarHBondContact O-N 3.44Å; A257-A260 PolarHBondContact O-N 2.96Å; A260-S263 PolarHBondContact O-OG 3.33Å
261	H	46.8	Very low	45.4	Very low	140 Å²	140	114.3 Å²	114.3	65%	0.648	64%	0.643	S	S	*	*	H	α-helix	trans	-76.4	-19.5	177.1	-80.3	-55.3	0	0	0	114.2	A257	A257-H261 PolarHBondContact O-CD2 3.03Å; A257-H261 PolarHBondContact O-N 3.3Å
262	T	42.3	Very low	44.5	Very low	115 Å²	115	115.6 Å²	115.6	71%	0.706	65%	0.646	S	S	*	*	H	α-helix	trans	-84.7	-14.2	176.4	40.3	0	0	0	0	114.4	N258 S259	N258-T262 PolarHBondContact O-N 2.98Å; N258-T262 PolarHBondContact O-OG1 2.92Å; S259-T262 PolarHBondContact O-OG1 3.34Å; S259-T262 VanDerWaalsContact O-OG1 3.13Å
263	S	37.7	Very low	44.2	Very low	105 Å²	105	115.2 Å²	115.2	73%	0.734	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	3.5	178.8	68.8	0	0	0	0	114.9	A260	A260-S263 PolarHBondContact O-OG 3.33Å
264	S	41.1	Very low	43.4	Very low	84 Å²	84	112.2 Å²	112.2	59%	0.587	66%	0.662	S	S	*	*	S	Bend	trans	-124	7.5	-170.7	46.9	0	0	0	0	115.4
265	Q	42.6	Very low	42.9	Very low	170 Å²	170	114.2 Å²	114.2	79%	0.794	67%	0.669	S	S	*	*			trans	-130.9	46.6	179.9	-70.6	-160.1	-32.4	0	0	115.3
266	E	37.8	Very low	42.7	Very low	189 Å²	189	119.6 Å²	119.6	88%	0.883	68%	0.684	S	S	*	*			trans	-122.6	72.6	158.9	-76	-152.1	138.8	0	0	112.4
267	R	36.6	Very low	42.7	Very low	245 Å²	245	122.1 Å²	122.1	93%	0.925	70%	0.695	S	S	*	*	S	Bend	trans	-166.9	149.3	152.2	-104.6	158.5	-162	-149.2	3.3	109.7
268	A	33.2	Very low	42.6	Very low	109 Å²	109	129 Å²	129	90%	0.901	71%	0.71	S	S	*	*			trans	72	121.4	-176.2	0	0	0	0	0	116.4
269	A	40.1	Very low	42.5	Very low	89 Å²	89	131.3 Å²	131.3	74%	0.736	72%	0.715	S	S	*	*			trans	-87.4	176.9	-167.3	0	0	0	0	0	115.9
270	N	39	Very low	42.6	Very low	146 Å²	146	130.5 Å²	130.5	78%	0.781	71%	0.709	S	S	*	*			trans	85.8	120.4	152.6	-77.2	-13.6	0	0	0	122
271	H	46.3	Very low	42.9	Very low	172 Å²	172	129.6 Å²	129.6	80%	0.796	70%	0.699	S	S	*	*			trans	57.9	105.4	140	-84.1	49.2	0	0	0	119.6
272	N	36.8	Very low	43.2	Very low	129 Å²	129	126.6 Å²	126.6	69%	0.69	69%	0.688	S	S	*	*			trans	-160	134.1	144.3	-108.1	-49.6	0	0	0	111.7	S274	N272-S274 VanDerWaalsContact C-N 3.28Å; N272-S274 PolarHBondContact O-N 2.97Å; N272-S274 VanDerWaalsContact O-N 3.12Å
273	P	43.1	Very low	43.9	Very low	132 Å²	132	127.2 Å²	127.2	86%	0.857	68%	0.681	S	S	*	*	S	Bend	trans	-87.9	45.4	-174.8	37.1	-37.3	0	0	0	113.5
274	S	41.8	Very low	45.1	Very low	74 Å²	74	127.4 Å²	127.4	52%	0.517	67%	0.67	S	S	.	*			trans	-119.6	8	-173.3	56.7	0	0	0	0	114.9	N272	N272-S274 VanDerWaalsContact C-N 3.28Å; N272-S274 PolarHBondContact O-N 2.97Å; N272-S274 VanDerWaalsContact O-N 3.12Å
275	T	47.1	Very low	46.2	Very low	93 Å²	93	127.8 Å²	127.8	57%	0.571	66%	0.661	S	S	*	*	S	Bend	trans	-93.7	-9.3	-170.1	45.2	0	0	0	0	115.6
276	Q	45.2	Very low	47.1	Very low	171 Å²	171	124.2 Å²	124.2	80%	0.799	65%	0.647	S	S	*	*	H	α-helix	trans	-76.5	-42.3	178.8	-75.6	-177.6	-23.2	0	0	113.1	R278 K279 S280	Q276-R278 VanDerWaalsContact C-N 3.34Å; Q276-R278 PolarHBondContact O-N 2.93Å; Q276-K279 PolarHBondContact O-N 2.86Å; Q276-S280 PolarHBondContact O-N 3.42Å; Q276-S280 VanDerWaalsContact O-N 3.16Å
277	T	48	Very low	48.3	Very low	106 Å²	106	118.8 Å²	118.8	65%	0.65	62%	0.624	S	S	*	*	H	α-helix	trans	-71.7	-21.8	-177.4	46.2	0	0	0	0	114.5	S280 S281	T277-S280 PolarHBondContact O-OG 3.36Å; T277-S280 VanDerWaalsContact O-OG 3.07Å; T277-S281 PolarHBondContact O-N 2.92Å
278	R	49.8	Very low	49.8	Very low	193 Å²	193	113 Å²	113	73%	0.728	61%	0.607	S	S	*	*	H	α-helix	trans	-75.2	-42.3	167.4	-88.2	-175.2	169.7	174.4	-3.8	112	Q276 S280 S281 D282	Q276-R278 VanDerWaalsContact C-N 3.34Å; Q276-R278 PolarHBondContact O-N 2.93Å; R278-S280 VanDerWaalsContact C-N 3.31Å; R278-S280 PolarHBondContact O-N 3.3Å; R278-S281 PolarHBondContact O-N 3.48Å; R278-S281 VanDerWaalsContact O-N 3.15Å; R278-D282 PolarHBondContact O-N 3.27Å
279	K	48.8	Very low	51.3	Low	164 Å²	164	113.2 Å²	113.2	71%	0.713	59%	0.593	S	S	*	*	H	α-helix	trans	-66	-28.8	-180	-74	-170.9	175.5	-172.9	0	113.7	Q276 K283	Q276-K279 PolarHBondContact O-N 2.86Å; K279-K283 WeakPolarHBondContact O-CB 3.32Å; K279-K283 PolarHBondContact O-N 3.37Å
280	S	46.8	Very low	51.9	Low	55 Å²	55	114.5 Å²	114.5	39%	0.385	58%	0.583	S	S	.	*	H	α-helix	trans	-67.8	-52.5	167.4	57.1	0	0	0	0	111.1	Q276 T277 R278 D282 K283 E284	Q276-S280 PolarHBondContact O-N 3.42Å; Q276-S280 VanDerWaalsContact O-N 3.16Å; T277-S280 PolarHBondContact O-OG 3.36Å; T277-S280 VanDerWaalsContact O-OG 3.07Å; R278-S280 VanDerWaalsContact C-N 3.31Å; R278-S280 PolarHBondContact O-N 3.3Å; S280-D282 VanDerWaalsContact C-N 3.32Å; S280-D282 PolarHBondContact O-N 3.3Å; S280-K283 PolarHBondContact O-N 2.95Å; S280-K283 VanDerWaalsContact O-N 3.1Å; S280-E284 WeakPolarHBondContact O-CG 3.35Å; S280-E284 PolarHBondContact O-N 2.99Å
281	S	49.4	Very low	53.2	Low	41 Å²	41	112.3 Å²	112.3	29%	0.287	57%	0.569	S	S	.	*	H	α-helix	trans	-58.1	-39.6	-178.6	-175.4	0	0	0	0	113.7	T277 R278 E284 K285	T277-S281 PolarHBondContact O-N 2.92Å; R278-S281 PolarHBondContact O-N 3.48Å; R278-S281 VanDerWaalsContact O-N 3.15Å; S281-E284 WeakPolarHBondContact CA-OE2 3.47Å; S281-K285 WeakPolarHBondContact O-CD 3.46Å; S281-K285 VanDerWaalsContact O-CE 3.26Å; S281-K285 WeakPolarHBondContact O-CE 3.49Å; S281-K285 VanDerWaalsContact O-CG 3.27Å; S281-K285 WeakPolarHBondContact O-CG 3.27Å; S281-K285 PolarHBondContact O-N 3.01Å; S281-K285 VanDerWaalsContact O-N 3.09Å; S281-K285 WeakPolarHBondContact OG-CE 3.27Å; S281-K285 PolarHBondContact OG-NZ 2.96Å
282	D	53	Low	54.1	Low	76 Å²	76	109.9 Å²	109.9	41%	0.406	56%	0.558	S	S	.	*	H	α-helix	trans	-77.6	-28.2	179.5	-62.9	-32.3	0	0	0	112.2	R278 S280 K285 I286	R278-D282 PolarHBondContact O-N 3.27Å; S280-D282 VanDerWaalsContact C-N 3.32Å; S280-D282 PolarHBondContact O-N 3.3Å; D282-K285 IonicContact OD1-NZ 2.67Å; D282-K285 PolarHBondContact OD1-NZ 2.85Å; D282-I286 WeakPolarHBondContact O-CD1 3.28Å; D282-I286 VanDerWaalsContact O-CG1 3.31Å; D282-I286 WeakPolarHBondContact O-CG1 3.48Å; D282-I286 PolarHBondContact O-N 2.87Å
283	K	57.5	Low	55.2	Low	129 Å²	129	109.4 Å²	109.4	56%	0.561	55%	0.554	S	S	*	*	H	α-helix	trans	-69.7	-45.4	168.2	-173.9	-178.8	174	-170.7	0	111.4	K279 S280 K285 I286 D287	K279-K283 WeakPolarHBondContact O-CB 3.32Å; K279-K283 PolarHBondContact O-N 3.37Å; S280-K283 PolarHBondContact O-N 2.95Å; S280-K283 VanDerWaalsContact O-N 3.1Å; K283-K285 PolarHBondContact O-N 2.97Å; K283-I286 WeakPolarHBondContact O-CA 3.25Å; K283-I286 WeakPolarHBondContact O-CB 3.43Å; K283-I286 PolarHBondContact O-N 3.14Å; K283-D287 VanDerWaalsContact CE-OD2 3.3Å; K283-D287 WeakPolarHBondContact CE-OD2 3.47Å; K283-D287 PolarHBondContact O-N 3.22Å
284	E	64.2	Low	56	Low	109 Å²	109	108 Å²	108	51%	0.509	54%	0.539	S	S	.	.	H	α-helix	trans	-57.6	-37.2	176.7	-72.4	165.2	162.2	0	0	111.8	S280 S281 Q288	S280-E284 WeakPolarHBondContact O-CG 3.35Å; S280-E284 PolarHBondContact O-N 2.99Å; S281-E284 WeakPolarHBondContact CA-OE2 3.47Å; E284-Q288 VanDerWaalsContact O-CB 3.28Å; E284-Q288 WeakPolarHBondContact O-CB 3.23Å; E284-Q288 WeakPolarHBondContact O-CG 3.42Å; E284-Q288 PolarHBondContact O-N 3.39Å
285	K	63.3	Low	57.1	Low	92 Å²	92	111.4 Å²	111.4	40%	0.4	54%	0.541	S	S	.	.	H	α-helix	trans	-66.3	-40	171.8	-70.4	162.5	-148.7	155.3	0	112.9	S281 D282 K283 L289	S281-K285 WeakPolarHBondContact O-CD 3.46Å; S281-K285 VanDerWaalsContact O-CE 3.26Å; S281-K285 WeakPolarHBondContact O-CE 3.49Å; S281-K285 VanDerWaalsContact O-CG 3.27Å; S281-K285 WeakPolarHBondContact O-CG 3.27Å; S281-K285 PolarHBondContact O-N 3.01Å; S281-K285 VanDerWaalsContact O-N 3.09Å; S281-K285 WeakPolarHBondContact OG-CE 3.27Å; S281-K285 PolarHBondContact OG-NZ 2.96Å; D282-K285 IonicContact OD1-NZ 2.67Å; D282-K285 PolarHBondContact OD1-NZ 2.85Å; K283-K285 PolarHBondContact O-N 2.97Å; K285-L289 WeakPolarHBondContact O-CB 3.28Å; K285-L289 VanDerWaalsContact O-CG 3.23Å; K285-L289 WeakPolarHBondContact O-CG 3.22Å; K285-L289 PolarHBondContact O-N 3.38Å
286	I	61.9	Low	57.8	Low	94 Å²	94	109.9 Å²	109.9	48%	0.482	53%	0.531	S	S	.	.	H	α-helix	trans	-66.1	-44.6	176.5	-70.4	164.4	0	0	0	110.2	D282 K283 L289 Q290	D282-I286 WeakPolarHBondContact O-CD1 3.28Å; D282-I286 VanDerWaalsContact O-CG1 3.31Å; D282-I286 WeakPolarHBondContact O-CG1 3.48Å; D282-I286 PolarHBondContact O-N 2.87Å; K283-I286 WeakPolarHBondContact O-CA 3.25Å; K283-I286 WeakPolarHBondContact O-CB 3.43Å; K283-I286 PolarHBondContact O-N 3.14Å; I286-L289 PolarHBondContact O-N 3.01Å; I286-Q290 WeakPolarHBondContact O-CB 3.45Å; I286-Q290 WeakPolarHBondContact O-CG 3.49Å; I286-Q290 PolarHBondContact O-N 3.02Å
287	D	62.9	Low	58.3	Low	75 Å²	75	107.7 Å²	107.7	40%	0.401	52%	0.521	S	S	.	.	H	α-helix	trans	-65.5	-38.8	178.2	-64	-14.9	0	0	0	110.6	K283 Q290 E291	K283-D287 VanDerWaalsContact CE-OD2 3.3Å; K283-D287 WeakPolarHBondContact CE-OD2 3.47Å; K283-D287 PolarHBondContact O-N 3.22Å; D287-Q290 PolarHBondContact O-N 3.09Å; D287-E291 PolarHBondContact O-N 3.01Å
288	Q	68.1	Low	58.9	Low	124 Å²	124	106.2 Å²	106.2	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-64.5	-46.2	171.7	-78	171.6	5	0	0	112.9	E284 Q290 E291 E292	E284-Q288 VanDerWaalsContact O-CB 3.28Å; E284-Q288 WeakPolarHBondContact O-CB 3.23Å; E284-Q288 WeakPolarHBondContact O-CG 3.42Å; E284-Q288 PolarHBondContact O-N 3.39Å; Q288-Q290 VanDerWaalsContact C-N 3.29Å; Q288-Q290 PolarHBondContact O-N 2.9Å; Q288-E291 PolarHBondContact O-N 3.47Å; Q288-E291 VanDerWaalsContact O-N 3.12Å; Q288-E292 PolarHBondContact O-N 3.15Å
289	L	65.1	Low	59.8	Low	114 Å²	114	104.3 Å²	104.3	60%	0.597	51%	0.506	S	S	*	.	H	α-helix	trans	-64.2	-34.3	176.5	-75.3	167.3	0	0	0	111.8	K285 I286 L293	K285-L289 WeakPolarHBondContact O-CB 3.28Å; K285-L289 VanDerWaalsContact O-CG 3.23Å; K285-L289 WeakPolarHBondContact O-CG 3.22Å; K285-L289 PolarHBondContact O-N 3.38Å; I286-L289 PolarHBondContact O-N 3.01Å; L289-L293 VanDerWaalsContact O-CB 3.25Å; L289-L293 WeakPolarHBondContact O-CB 3.26Å; L289-L293 PolarHBondContact O-N 3.26Å
290	Q	52.3	Low	60.3	Low	116 Å²	116	103.4 Å²	103.4	54%	0.542	50%	0.499	S	S	.	.	H	α-helix	trans	-65.5	-42.7	170.5	-76	-176.5	7.8	0	0	111.5	I286 D287 Q288 L293 L294	I286-Q290 WeakPolarHBondContact O-CB 3.45Å; I286-Q290 WeakPolarHBondContact O-CG 3.49Å; I286-Q290 PolarHBondContact O-N 3.02Å; D287-Q290 PolarHBondContact O-N 3.09Å; Q288-Q290 VanDerWaalsContact C-N 3.29Å; Q288-Q290 PolarHBondContact O-N 2.9Å; Q290-L293 PolarHBondContact O-N 3.33Å; Q290-L294 WeakPolarHBondContact O-CB 3.36Å; Q290-L294 PolarHBondContact O-N 3.28Å
291	E	66.6	Low	60.8	Low	100 Å²	100	105.4 Å²	105.4	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-67.5	-39.7	177.1	-150.8	-158.9	149.6	0	0	112.4	D287 Q288 L294 R295	D287-E291 PolarHBondContact O-N 3.01Å; Q288-E291 PolarHBondContact O-N 3.47Å; Q288-E291 VanDerWaalsContact O-N 3.12Å; E291-L294 PolarHBondContact O-N 3.32Å; E291-R295 WeakPolarHBondContact O-CB 3.31Å; E291-R295 WeakPolarHBondContact O-CG 3.45Å; E291-R295 PolarHBondContact O-N 2.99Å; E291-R295 IonicContact OE1-CZ 3Å; E291-R295 IonicContact OE1-NE 2.72Å; E291-R295 PolarHBondContact OE1-NE 3.41Å; E291-R295 IonicContact OE1-NH2 3.11Å; E291-R295 PolarHBondContact OE1-NH2 3.34Å; E291-R295 IonicContact OE2-NH2 3.66Å
292	E	64.6	Low	61.7	Low	121 Å²	121	111.8 Å²	111.8	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-65.5	-39.3	174.5	-71.6	-159.7	136.5	0	0	112.2	Q288 T296	Q288-E292 PolarHBondContact O-N 3.15Å; E292-T296 VanDerWaalsContact O-CB 3.23Å; E292-T296 WeakPolarHBondContact O-CB 3.43Å; E292-T296 PolarHBondContact O-N 3.27Å; E292-T296 PolarHBondContact O-OG1 3.26Å
293	L	60.6	Low	62.3	Low	119 Å²	119	113.8 Å²	113.8	62%	0.623	53%	0.528	S	S	*	.	H	α-helix	trans	-60.5	-47.2	172	-176.5	65.9	0	0	0	110.9	L289 Q290 T296 Q297	L289-L293 VanDerWaalsContact O-CB 3.25Å; L289-L293 WeakPolarHBondContact O-CB 3.26Å; L289-L293 PolarHBondContact O-N 3.26Å; Q290-L293 PolarHBondContact O-N 3.33Å; L293-T296 PolarHBondContact O-N 3.37Å; L293-Q297 WeakPolarHBondContact O-CB 3.4Å; L293-Q297 PolarHBondContact O-N 3.42Å
294	L	59.8	Low	62.2	Low	102 Å²	102	112.6 Å²	112.6	53%	0.534	53%	0.527	S	S	.	.	H	α-helix	trans	-63.4	-44.7	178.6	-123.3	152.7	0	0	0	112.2	Q290 E291 T296 Q297 L298	Q290-L294 WeakPolarHBondContact O-CB 3.36Å; Q290-L294 PolarHBondContact O-N 3.28Å; E291-L294 PolarHBondContact O-N 3.32Å; L294-T296 VanDerWaalsContact C-N 3.29Å; L294-T296 PolarHBondContact O-N 2.92Å; L294-Q297 PolarHBondContact O-N 3.38Å; L294-L298 HydrophobicContact CD2-CD1 4.19Å; L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 PolarHBondContact O-N 2.93Å
295	R	63.3	Low	62.1	Low	146 Å²	146	111.6 Å²	111.6	55%	0.551	52%	0.523	S	S	*	.	H	α-helix	trans	-61.5	-37.2	174.4	-74.2	171.3	178	-160	5.2	111.9	E291 K299	E291-R295 WeakPolarHBondContact O-CB 3.31Å; E291-R295 WeakPolarHBondContact O-CG 3.45Å; E291-R295 PolarHBondContact O-N 2.99Å; E291-R295 IonicContact OE1-CZ 3Å; E291-R295 IonicContact OE1-NE 2.72Å; E291-R295 PolarHBondContact OE1-NE 3.41Å; E291-R295 IonicContact OE1-NH2 3.11Å; E291-R295 PolarHBondContact OE1-NH2 3.34Å; E291-R295 IonicContact OE2-NH2 3.66Å; R295-K299 PolarHBondContact O-N 3.37Å
296	T	62.4	Low	62.8	Low	60 Å²	60	115 Å²	115	37%	0.368	53%	0.533	S	S	.	.	H	α-helix	trans	-73.6	-41.6	178.7	-59.5	0	0	0	0	111.3	E292 L293 L294 L298 K299 Y300	E292-T296 VanDerWaalsContact O-CB 3.23Å; E292-T296 WeakPolarHBondContact O-CB 3.43Å; E292-T296 PolarHBondContact O-N 3.27Å; E292-T296 PolarHBondContact O-OG1 3.26Å; L293-T296 PolarHBondContact O-N 3.37Å; L294-T296 VanDerWaalsContact C-N 3.29Å; L294-T296 PolarHBondContact O-N 2.92Å; T296-L298 PolarHBondContact O-N 2.95Å; T296-K299 WeakPolarHBondContact O-CB 3.25Å; T296-K299 PolarHBondContact O-N 3.47Å; T296-Y300 HydrophobicContact CG2-CD2 4Å; T296-Y300 HydrophobicContact CG2-CE2 3.55Å; T296-Y300 VanDerWaalsContact O-CD2 3.28Å; T296-Y300 WeakPolarHBondContact O-CD2 3.26Å; T296-Y300 PolarHBondContact O-N 3.08Å
297	Q	55.2	Low	62.8	Low	125 Å²	125	114.4 Å²	114.4	58%	0.584	53%	0.53	S	S	*	.	H	α-helix	trans	-61.4	-42.5	173	-164.4	173.7	14	0	0	111.5	L293 L294 K299 Y300 Q301	L293-Q297 WeakPolarHBondContact O-CB 3.4Å; L293-Q297 PolarHBondContact O-N 3.42Å; L294-Q297 PolarHBondContact O-N 3.38Å; Q297-K299 PolarHBondContact O-N 3.27Å; Q297-Y300 PolarHBondContact O-N 3.29Å; Q297-Q301 WeakPolarHBondContact O-CB 3.42Å; Q297-Q301 PolarHBondContact O-N 2.66Å
298	L	61.6	Low	62.6	Low	75 Å²	75	116.4 Å²	116.4	39%	0.393	54%	0.537	S	S	.	.	H	α-helix	trans	-62.1	-36.5	172.2	-94.6	156	0	0	0	113.5	L294 T296 R302	L294-L298 HydrophobicContact CD2-CD1 4.19Å; L294-L298 WeakPolarHBondContact O-CB 3.39Å; L294-L298 PolarHBondContact O-N 2.93Å; T296-L298 PolarHBondContact O-N 2.95Å; L298-R302 WeakPolarHBondContact O-CB 3.27Å; L298-R302 WeakPolarHBondContact O-CG 3.26Å; L298-R302 PolarHBondContact O-N 3.09Å; L298-R302 VanDerWaalsContact O-N 3.1Å
299	K	67.3	Low	62.7	Low	154 Å²	154	116.7 Å²	116.7	67%	0.67	54%	0.537	S	S	*	.	H	α-helix	trans	-63.9	-47.8	172.4	-82.8	179	175.7	176.9	0	111.3	R295 T296 Q297 R302 M303	R295-K299 PolarHBondContact O-N 3.37Å; T296-K299 WeakPolarHBondContact O-CB 3.25Å; T296-K299 PolarHBondContact O-N 3.47Å; Q297-K299 PolarHBondContact O-N 3.27Å; K299-R302 PolarHBondContact O-N 3.5Å; K299-M303 WeakPolarHBondContact O-CB 3.43Å; K299-M303 PolarHBondContact O-N 3.41Å
300	Y	59.4	Low	62.7	Low	145 Å²	145	115.1 Å²	115.1	57%	0.569	53%	0.526	S	S	*	.	H	α-helix	trans	-64.1	-41.1	178	-71.3	-54.4	0	0	0	112.3	T296 Q297 R302 M303 L304	T296-Y300 HydrophobicContact CG2-CD2 4Å; T296-Y300 HydrophobicContact CG2-CE2 3.55Å; T296-Y300 VanDerWaalsContact O-CD2 3.28Å; T296-Y300 WeakPolarHBondContact O-CD2 3.26Å; T296-Y300 PolarHBondContact O-N 3.08Å; Q297-Y300 PolarHBondContact O-N 3.29Å; Y300-R302 PolarHBondContact O-N 3.03Å; Y300-M303 PolarHBondContact O-N 2.92Å; Y300-M303 VanDerWaalsContact O-N 3.15Å; Y300-L304 PolarHBondContact O-N 3.41Å
301	Q	58.3	Low	63.1	Low	97 Å²	97	113.9 Å²	113.9	45%	0.453	52%	0.523	S	S	.	.	H	α-helix	trans	-61.2	-44.3	176.9	-170.3	172.9	5.1	0	0	111.8	Q297 M303 L304 E305	Q297-Q301 WeakPolarHBondContact O-CB 3.42Å; Q297-Q301 PolarHBondContact O-N 2.66Å; Q301-M303 VanDerWaalsContact C-N 3.31Å; Q301-M303 PolarHBondContact O-N 3.48Å; Q301-L304 PolarHBondContact O-N 2.87Å; Q301-E305 WeakPolarHBondContact O-CB 3.24Å; Q301-E305 PolarHBondContact O-N 2.98Å
302	R	68.8	Low	63.2	Low	174 Å²	174	116.1 Å²	116.1	66%	0.657	53%	0.531	S	S	*	.	H	α-helix	trans	-65.2	-32	174	-72.6	174.8	-180	-177.7	1.4	113.3	L298 K299 Y300 R306	L298-R302 WeakPolarHBondContact O-CB 3.27Å; L298-R302 WeakPolarHBondContact O-CG 3.26Å; L298-R302 PolarHBondContact O-N 3.09Å; L298-R302 VanDerWaalsContact O-N 3.1Å; K299-R302 PolarHBondContact O-N 3.5Å; Y300-R302 PolarHBondContact O-N 3.03Å; R302-R306 VanDerWaalsContact O-CB 3.31Å; R302-R306 WeakPolarHBondContact O-CB 3.48Å; R302-R306 PolarHBondContact O-N 3.44Å
303	M	65.4	Low	63.1	Low	118 Å²	118	115.3 Å²	115.3	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-75.6	-36.8	177.7	-170	161.8	174.8	0	0	111.9	K299 Y300 Q301 R306 L307	K299-M303 WeakPolarHBondContact O-CB 3.43Å; K299-M303 PolarHBondContact O-N 3.41Å; Y300-M303 PolarHBondContact O-N 2.92Å; Y300-M303 VanDerWaalsContact O-N 3.15Å; Q301-M303 VanDerWaalsContact C-N 3.31Å; Q301-M303 PolarHBondContact O-N 3.48Å; M303-R306 PolarHBondContact O-N 2.77Å; M303-L307 HydrophobicContact CG-CD1 4.36Å; M303-L307 WeakPolarHBondContact O-CB 3.4Å; M303-L307 VanDerWaalsContact O-CG 3.31Å; M303-L307 WeakPolarHBondContact O-CG 3.47Å; M303-L307 PolarHBondContact O-N 2.88Å
304	L	55	Low	63.1	Low	104 Å²	104	114.7 Å²	114.7	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-62.9	-50.8	169.1	-78.6	164.6	0	0	0	111.3	Y300 Q301 R306 L307 E308	Y300-L304 PolarHBondContact O-N 3.41Å; Q301-L304 PolarHBondContact O-N 2.87Å; L304-R306 PolarHBondContact O-N 3.34Å; L304-L307 CarbonylContact O-C 3.59Å; L304-L307 PolarHBondContact O-N 2.89Å; L304-E308 WeakPolarHBondContact O-CG 3.37Å; L304-E308 PolarHBondContact O-N 2.81Å
305	E	61.8	Low	63	Low	89 Å²	89	118.7 Å²	118.7	42%	0.416	53%	0.532	S	S	.	.	H	α-helix	trans	-58.6	-34.5	178.1	-173	175.9	-136.3	0	0	112	Q301 K309	Q301-E305 WeakPolarHBondContact O-CB 3.24Å; Q301-E305 PolarHBondContact O-N 2.98Å; E305-K309 WeakPolarHBondContact O-CB 3.31Å; E305-K309 PolarHBondContact O-N 2.9Å
306	R	77.9	Confident	62.8	Low	163 Å²	163	117.7 Å²	117.7	62%	0.615	53%	0.532	S	S	*	.	H	α-helix	trans	-66.8	-49	170.8	-172.7	-176.1	-167.2	147.9	11.2	112.5	R302 M303 L304 E308 K309 E310	R302-R306 VanDerWaalsContact O-CB 3.31Å; R302-R306 WeakPolarHBondContact O-CB 3.48Å; R302-R306 PolarHBondContact O-N 3.44Å; M303-R306 PolarHBondContact O-N 2.77Å; L304-R306 PolarHBondContact O-N 3.34Å; R306-E308 VanDerWaalsContact C-N 3.33Å; R306-E308 PolarHBondContact O-N 2.73Å; R306-K309 WeakPolarHBondContact O-CB 3.44Å; R306-K309 PolarHBondContact O-N 3.28Å; R306-E310 HydrophobicContact CG-CG 4.5Å; R306-E310 VanDerWaalsContact CG-OE1 3.25Å; R306-E310 WeakPolarHBondContact CG-OE1 3.27Å; R306-E310 IonicContact CZ-OE1 3.88Å; R306-E310 IonicContact NE-OE1 3.64Å; R306-E310 PolarHBondContact NE-OE1 2.95Å; R306-E310 WeakPolarHBondContact O-CB 3.42Å; R306-E310 WeakPolarHBondContact O-CG 3.17Å; R306-E310 PolarHBondContact O-N 2.74Å
307	L	62.5	Low	62.6	Low	81 Å²	81	118.2 Å²	118.2	42%	0.424	54%	0.535	S	S	.	.	H	α-helix	trans	-67.2	-31	179.7	-73.8	168.4	0	0	0	112.8	M303 L304 N311	M303-L307 HydrophobicContact CG-CD1 4.36Å; M303-L307 WeakPolarHBondContact O-CB 3.4Å; M303-L307 VanDerWaalsContact O-CG 3.31Å; M303-L307 WeakPolarHBondContact O-CG 3.47Å; M303-L307 PolarHBondContact O-N 2.88Å; L304-L307 CarbonylContact O-C 3.59Å; L304-L307 PolarHBondContact O-N 2.89Å; L307-N311 VanDerWaalsContact O-CB 3.29Å; L307-N311 WeakPolarHBondContact O-CB 3.2Å; L307-N311 PolarHBondContact O-N 2.71Å; L307-N311 PolarHBondContact O-ND2 2.94Å
308	E	58.3	Low	62.5	Low	118 Å²	118	116.2 Å²	116.2	55%	0.551	53%	0.531	S	S	*	.	H	α-helix	trans	-67.9	-42.7	169.5	-75	-168.3	153.3	0	0	111.4	L304 R306 N311 K312	L304-E308 WeakPolarHBondContact O-CG 3.37Å; L304-E308 PolarHBondContact O-N 2.81Å; R306-E308 VanDerWaalsContact C-N 3.33Å; R306-E308 PolarHBondContact O-N 2.73Å; E308-N311 PolarHBondContact O-N 3.19Å; E308-K312 VanDerWaalsContact O-CB 3.26Å; E308-K312 WeakPolarHBondContact O-CB 3.46Å; E308-K312 PolarHBondContact O-N 2.95Å
309	K	69.8	Low	61.8	Low	130 Å²	130	117.7 Å²	117.7	57%	0.565	54%	0.539	S	S	*	.	H	α-helix	trans	-64.8	-44.3	175.7	-171.4	179.9	177.8	-173.3	0	111.7	E305 R306 K312 E313	E305-K309 WeakPolarHBondContact O-CB 3.31Å; E305-K309 PolarHBondContact O-N 2.9Å; R306-K309 WeakPolarHBondContact O-CB 3.44Å; R306-K309 PolarHBondContact O-N 3.28Å; K309-K312 CarbonylContact O-C 3.5Å; K309-K312 WeakPolarHBondContact O-CB 3.36Å; K309-K312 PolarHBondContact O-N 3.31Å; K309-K312 VanDerWaalsContact O-N 3.13Å; K309-E313 WeakPolarHBondContact CE-OE1 3.16Å; K309-E313 WeakPolarHBondContact O-CB 3.26Å; K309-E313 WeakPolarHBondContact O-CG 3.17Å; K309-E313 PolarHBondContact O-N 2.93Å
310	E	66.5	Low	60.7	Low	81 Å²	81	115.7 Å²	115.7	38%	0.379	53%	0.532	S	S	.	.	H	α-helix	trans	-63.9	-39.4	174.7	-72.3	168.9	-168.7	0	0	110.7	R306 K312 E313 L314	R306-E310 HydrophobicContact CG-CG 4.5Å; R306-E310 VanDerWaalsContact CG-OE1 3.25Å; R306-E310 WeakPolarHBondContact CG-OE1 3.27Å; R306-E310 IonicContact CZ-OE1 3.88Å; R306-E310 IonicContact NE-OE1 3.64Å; R306-E310 PolarHBondContact NE-OE1 2.95Å; R306-E310 WeakPolarHBondContact O-CB 3.42Å; R306-E310 WeakPolarHBondContact O-CG 3.17Å; R306-E310 PolarHBondContact O-N 2.74Å; E310-K312 PolarHBondContact O-N 3.17Å; E310-E313 PolarHBondContact O-N 3.43Å; E310-L314 WeakPolarHBondContact O-CB 3.48Å; E310-L314 VanDerWaalsContact O-CG 3.24Å; E310-L314 WeakPolarHBondContact O-CG 3.49Å; E310-L314 PolarHBondContact O-N 3.27Å
311	N	60.6	Low	60.1	Low	90 Å²	90	115 Å²	115	48%	0.481	53%	0.532	S	S	.	.	H	α-helix	trans	-63.5	-37.6	169.4	-94.9	-81.2	0	0	0	113.4	L307 E308 L314 R315	L307-N311 VanDerWaalsContact O-CB 3.29Å; L307-N311 WeakPolarHBondContact O-CB 3.2Å; L307-N311 PolarHBondContact O-N 2.71Å; L307-N311 PolarHBondContact O-ND2 2.94Å; E308-N311 PolarHBondContact O-N 3.19Å; N311-L314 PolarHBondContact O-N 3.4Å; N311-R315 WeakPolarHBondContact O-CB 3.25Å; N311-R315 VanDerWaalsContact O-CG 3.31Å; N311-R315 WeakPolarHBondContact O-CG 3.21Å; N311-R315 PolarHBondContact O-N 3.44Å
312	K	68.6	Low	59.3	Low	146 Å²	146	115.3 Å²	115.3	64%	0.635	54%	0.537	S	S	*	.	H	α-helix	trans	-71.5	-33.5	178.9	-167.3	169.3	-172.7	168.8	0	111.6	E308 K309 E310 K316	E308-K312 VanDerWaalsContact O-CB 3.26Å; E308-K312 WeakPolarHBondContact O-CB 3.46Å; E308-K312 PolarHBondContact O-N 2.95Å; K309-K312 CarbonylContact O-C 3.5Å; K309-K312 WeakPolarHBondContact O-CB 3.36Å; K309-K312 PolarHBondContact O-N 3.31Å; K309-K312 VanDerWaalsContact O-N 3.13Å; E310-K312 PolarHBondContact O-N 3.17Å; K312-K316 WeakPolarHBondContact O-CG 3.47Å; K312-K316 PolarHBondContact O-N 2.91Å; K312-K316 VanDerWaalsContact O-N 3.08Å
313	E	63	Low	57.8	Low	104 Å²	104	113.7 Å²	113.7	49%	0.486	54%	0.541	S	S	.	.	H	α-helix	trans	-73.9	-41.1	171.4	-73.1	175.2	-164.7	0	0	111.3	K309 E310 K316 V317	K309-E313 WeakPolarHBondContact CE-OE1 3.16Å; K309-E313 WeakPolarHBondContact O-CB 3.26Å; K309-E313 WeakPolarHBondContact O-CG 3.17Å; K309-E313 PolarHBondContact O-N 2.93Å; E310-E313 PolarHBondContact O-N 3.43Å; E313-K316 CarbonylContact O-C 3.5Å; E313-K316 WeakPolarHBondContact O-CB 3.5Å; E313-K316 PolarHBondContact O-N 3.42Å; E313-V317 WeakPolarHBondContact O-CG2 3.4Å; E313-V317 PolarHBondContact O-N 2.88Å
314	L	59	Low	56.4	Low	107 Å²	107	116.3 Å²	116.3	56%	0.56	55%	0.549	S	S	*	.	H	α-helix	trans	-61.3	-44.2	171.5	-75.1	167.7	0	0	0	112.2	E310 N311 K316 V317 V318	E310-L314 WeakPolarHBondContact O-CB 3.48Å; E310-L314 VanDerWaalsContact O-CG 3.24Å; E310-L314 WeakPolarHBondContact O-CG 3.49Å; E310-L314 PolarHBondContact O-N 3.27Å; N311-L314 PolarHBondContact O-N 3.4Å; L314-K316 VanDerWaalsContact C-N 3.32Å; L314-K316 PolarHBondContact O-N 3.5Å; L314-V317 CarbonylContact O-C 3.6Å; L314-V317 PolarHBondContact O-N 2.96Å; L314-V317 VanDerWaalsContact O-N 3.09Å; L314-V318 WeakPolarHBondContact O-CG2 3.26Å; L314-V318 PolarHBondContact O-N 2.8Å
315	R	57.7	Low	55.6	Low	185 Å²	185	113.4 Å²	113.4	70%	0.698	55%	0.545	S	S	*	.	H	α-helix	trans	-60.3	-40.2	172.7	-77.4	179.4	-178.9	-137.1	2	111.8	N311 V318 L319	N311-R315 WeakPolarHBondContact O-CB 3.25Å; N311-R315 VanDerWaalsContact O-CG 3.31Å; N311-R315 WeakPolarHBondContact O-CG 3.21Å; N311-R315 PolarHBondContact O-N 3.44Å; R315-V318 PolarHBondContact O-N 3.43Å; R315-L319 WeakPolarHBondContact O-CB 3.32Å; R315-L319 WeakPolarHBondContact O-CG 3.47Å; R315-L319 PolarHBondContact O-N 2.91Å
316	K	60.6	Low	54.3	Low	125 Å²	125	115.1 Å²	115.1	54%	0.543	56%	0.555	S	S	.	*	H	α-helix	trans	-64.1	-37.1	171.4	-80.9	-179.5	172.9	-172.5	0	112.8	K312 E313 L314 Q320	K312-K316 WeakPolarHBondContact O-CG 3.47Å; K312-K316 PolarHBondContact O-N 2.91Å; K312-K316 VanDerWaalsContact O-N 3.08Å; E313-K316 CarbonylContact O-C 3.5Å; E313-K316 WeakPolarHBondContact O-CB 3.5Å; E313-K316 PolarHBondContact O-N 3.42Å; L314-K316 VanDerWaalsContact C-N 3.32Å; L314-K316 PolarHBondContact O-N 3.5Å; K316-Q320 WeakPolarHBondContact O-CB 3.39Å; K316-Q320 VanDerWaalsContact O-CG 3.23Å; K316-Q320 WeakPolarHBondContact O-CG 3.42Å; K316-Q320 PolarHBondContact O-N 3.34Å
317	V	57.2	Low	52.3	Low	71 Å²	71	115.8 Å²	115.8	43%	0.43	57%	0.565	S	S	.	*	H	α-helix	trans	-73.2	-30.3	177.6	168.6	0	0	0	0	112	E313 L314 K321	E313-V317 WeakPolarHBondContact O-CG2 3.4Å; E313-V317 PolarHBondContact O-N 2.88Å; L314-V317 CarbonylContact O-C 3.6Å; L314-V317 PolarHBondContact O-N 2.96Å; L314-V317 VanDerWaalsContact O-N 3.09Å; V317-K321 VanDerWaalsContact O-CG 3.3Å; V317-K321 WeakPolarHBondContact O-CG 3.22Å; V317-K321 PolarHBondContact O-N 3.09Å; V317-K321 VanDerWaalsContact O-N 3.12Å
318	V	53.4	Low	51	Low	83 Å²	83	119.6 Å²	119.6	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-68.1	-55.7	168.8	172.6	0	0	0	0	109.8	L314 R315 Q320 K321 D322	L314-V318 WeakPolarHBondContact O-CG2 3.26Å; L314-V318 PolarHBondContact O-N 2.8Å; R315-V318 PolarHBondContact O-N 3.43Å; V318-Q320 PolarHBondContact O-N 2.91Å; V318-K321 WeakPolarHBondContact O-CA 3.36Å; V318-K321 WeakPolarHBondContact O-CB 3.25Å; V318-K321 PolarHBondContact O-N 3.44Å; V318-D322 PolarHBondContact O-N 2.83Å
319	L	47.8	Very low	50	Low	106 Å²	106	125 Å²	125	56%	0.555	60%	0.596	S	S	*	*	H	α-helix	trans	-55.5	-37.6	176.6	-74.8	162.3	0	0	0	112.6	R315 D322 D323	R315-L319 WeakPolarHBondContact O-CB 3.32Å; R315-L319 WeakPolarHBondContact O-CG 3.47Å; R315-L319 PolarHBondContact O-N 2.91Å; L319-D322 PolarHBondContact O-N 3.45Å; L319-D323 WeakPolarHBondContact O-CB 3.33Å; L319-D323 PolarHBondContact O-N 3.29Å
320	Q	43.1	Very low	48.6	Very low	113 Å²	113	128.1 Å²	128.1	53%	0.528	61%	0.61	S	S	.	*	H	α-helix	trans	-75.9	-16.4	175	-74.7	-177.3	3.1	0	0	114.7	K316 V318 K324	K316-Q320 WeakPolarHBondContact O-CB 3.39Å; K316-Q320 VanDerWaalsContact O-CG 3.23Å; K316-Q320 WeakPolarHBondContact O-CG 3.42Å; K316-Q320 PolarHBondContact O-N 3.34Å; V318-Q320 PolarHBondContact O-N 2.91Å; Q320-K324 VanDerWaalsContact O-CB 3.23Å; Q320-K324 WeakPolarHBondContact O-CB 3.33Å; Q320-K324 PolarHBondContact O-N 2.86Å
321	K	46.2	Very low	47.6	Very low	130 Å²	130	130.4 Å²	130.4	57%	0.565	63%	0.629	S	S	*	*	H	α-helix	trans	-79.1	-28.9	166.7	-79.7	173.1	176.9	-176.9	0	111.7	V317 V318	V317-K321 VanDerWaalsContact O-CG 3.3Å; V317-K321 WeakPolarHBondContact O-CG 3.22Å; V317-K321 PolarHBondContact O-N 3.09Å; V317-K321 VanDerWaalsContact O-N 3.12Å; V318-K321 WeakPolarHBondContact O-CA 3.36Å; V318-K321 WeakPolarHBondContact O-CB 3.25Å; V318-K321 PolarHBondContact O-N 3.44Å
322	D	42.4	Very low	47.4	Very low	103 Å²	103	135.7 Å²	135.7	55%	0.551	65%	0.648	S	S	*	*	H	α-helix	trans	-77.1	-46.5	174	-57.5	-37.8	0	0	0	110.7	V318 L319 G325	V318-D322 PolarHBondContact O-N 2.83Å; L319-D322 PolarHBondContact O-N 3.45Å; D322-G325 WeakPolarHBondContact O-CA 3.49Å; D322-G325 PolarHBondContact O-N 2.74Å
323	D	36.3	Very low	47.4	Very low	140 Å²	140	134.1 Å²	134.1	75%	0.749	64%	0.641	S	S	*	*	H	α-helix	trans	-69.4	-41.4	177.7	-85.3	-26.7	0	0	0	113.6	L319 G325	L319-D323 WeakPolarHBondContact O-CB 3.33Å; L319-D323 PolarHBondContact O-N 3.29Å; D323-G325 PolarHBondContact O-N 2.7Å
324	K	37.9	Very low	48.2	Very low	173 Å²	173	130.6 Å²	130.6	75%	0.752	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	66.4	168.2	-67.2	-172.8	174.4	178.6	0	108.6	Q320 I326	Q320-K324 VanDerWaalsContact O-CB 3.23Å; Q320-K324 WeakPolarHBondContact O-CB 3.33Å; Q320-K324 PolarHBondContact O-N 2.86Å; K324-I326 PolarHBondContact O-N 2.95Å
325	G	36.5	Very low	49.4	Very low	44 Å²	44	126.1 Å²	126.1	45%	0.454	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-35	122.3	-162.9	0	0	0	0	0	112.9	D322 D323 H327	D322-G325 WeakPolarHBondContact O-CA 3.49Å; D322-G325 PolarHBondContact O-N 2.74Å; D323-G325 PolarHBondContact O-N 2.7Å; G325-H327 PolarHBondContact O-N 2.98Å
326	I	35.4	Very low	50.6	Low	124 Å²	124	117.3 Å²	117.3	64%	0.636	57%	0.571	S	S	*	*			trans	-52.9	100.1	159.4	-64.9	169.8	0	0	0	106	K324 Q328	K324-I326 PolarHBondContact O-N 2.95Å; I326-Q328 HydrophobicContact CG2-CG 4.31Å; I326-Q328 PolarHBondContact O-N 2.94Å
327	H	36.5	Very low	51.7	Low	178 Å²	178	113 Å²	113	82%	0.824	55%	0.554	S	S	*	*			trans	-62	81.1	153.9	-77.7	-47.9	0	0	0	106.1	G325 R329	G325-H327 PolarHBondContact O-N 2.98Å; H327-R329 PolarHBondContact O-N 3.48Å
328	Q	34.6	Very low	53	Low	161 Å²	161	111 Å²	111	75%	0.752	54%	0.541	S	S	*	.			trans	-43.4	103.3	132	-69.5	-173.3	-0.5	0	0	103.6	I326 K330	I326-Q328 HydrophobicContact CG2-CG 4.31Å; I326-Q328 PolarHBondContact O-N 2.94Å; Q328-K330 VanDerWaalsContact C-N 3.28Å; Q328-K330 PolarHBondContact O-N 2.99Å
329	R	37.3	Very low	54.5	Low	230 Å²	230	107.1 Å²	107.1	87%	0.868	52%	0.517	S	S	*	.			trans	-52	108.6	165.6	-73.9	175.8	170.7	172.2	-3.8	102.8	H327 V331	H327-R329 PolarHBondContact O-N 3.48Å; R329-V331 PolarHBondContact O-N 3.25Å
330	K	40.4	Very low	56.2	Low	197 Å²	197	102.7 Å²	102.7	86%	0.857	50%	0.495	S	S	*	.			trans	-58.3	96.2	-177.6	-76.9	-173.9	175.9	-176.7	0	105.5	Q328 K332	Q328-K330 VanDerWaalsContact C-N 3.28Å; Q328-K330 PolarHBondContact O-N 2.99Å; K330-K332 PolarHBondContact O-N 3.4Å
331	V	45.9	Very low	58.1	Low	129 Å²	129	99.2 Å²	99.2	78%	0.782	48%	0.479	S	S	*	.			trans	-55	116.8	174.4	177.3	0	0	0	0	102.6	R329 K333	R329-V331 PolarHBondContact O-N 3.25Å; V331-K333 VanDerWaalsContact C-N 3.29Å; V331-K333 PolarHBondContact O-N 3.1Å
332	K	55.1	Low	59.9	Low	200 Å²	200	93.3 Å²	93.3	87%	0.87	45%	0.453	S	S	*	.			trans	-60.6	99.1	-170.4	-70.9	-175.1	178.1	-177.2	0	106.5	K330 S334	K330-K332 PolarHBondContact O-N 3.4Å; K332-S334 PolarHBondContact O-N 2.98Å
333	K	69.6	Low	61.8	Low	114 Å²	114	88.5 Å²	88.5	50%	0.496	43%	0.428	S	S	.	.			trans	-52.5	128.3	-180	-74.8	-174.8	171.3	-176.2	0	106.1	V331 D337 L338 E341	V331-K333 VanDerWaalsContact C-N 3.29Å; V331-K333 PolarHBondContact O-N 3.1Å; K333-D337 HydrophobicContact CB-CB 4.17Å; K333-L338 HydrophobicContact CB-CD2 3.82Å; K333-L338 HydrophobicContact CB-CG 3.82Å; K333-L338 HydrophobicContact CD-CD2 3.83Å; K333-L338 HydrophobicContact CG-CD2 4.45Å; K333-E341 WeakPolarHBondContact CD-OE2 3.47Å; K333-E341 IonicContact NZ-OE1 2.68Å; K333-E341 PolarHBondContact NZ-OE1 2.83Å; K333-E341 IonicContact NZ-OE2 2.86Å; K333-E341 PolarHBondContact NZ-OE2 3.47Å
334	S	79.3	Confident	63.8	Low	30 Å²	30	82.8 Å²	82.8	21%	0.21	40%	0.397	C	S	.	.			trans	-61.7	155.9	178	70.1	0	0	0	0	108.7	K332 I336 D337 L338	K332-S334 PolarHBondContact O-N 2.98Å; S334-I336 PolarHBondContact O-N 3.47Å; S334-I336 VanDerWaalsContact O-N 3.11Å; S334-I336 VanDerWaalsContact OG-CG2 3.24Å; S334-I336 WeakPolarHBondContact OG-CG2 3.45Å; S334-D337 WeakPolarHBondContact CB-OD2 3.49Å; S334-D337 PolarHBondContact N-OD2 2.97Å; S334-D337 VanDerWaalsContact N-OD2 3.08Å; S334-D337 WeakPolarHBondContact O-CA 3.29Å; S334-D337 WeakPolarHBondContact O-CB 3.41Å; S334-D337 PolarHBondContact O-N 3.36Å; S334-D337 PolarHBondContact OG-N 3.4Å; S334-D337 PolarHBondContact OG-OD2 3.16Å; S334-L338 PolarHBondContact O-N 2.86Å
335	L	83.4	Confident	65.7	Low	13 Å²	13	76.5 Å²	76.5	7%	0.068	37%	0.372	C	S	.	.	H	α-helix	trans	-55.3	-33.6	179.4	-83.9	165.8	0	0	0	112.3	L338 Y339 W624 F1023 A1026 L1027 E1030	L335-L338 PolarHBondContact O-N 3.33Å; L335-Y339 WeakPolarHBondContact O-CB 3.38Å; L335-Y339 PolarHBondContact O-N 3.26Å; L335-W624 HydrophobicContact CB-CH2 3.95Å; L335-F1023 HydrophobicContact CB-CE2 4.29Å; L335-F1023 HydrophobicContact CD2-CD2 3.86Å; L335-F1023 HydrophobicContact CD2-CE2 3.83Å; L335-F1023 VanDerWaalsContact O-CE2 3.24Å; L335-F1023 WeakPolarHBondContact O-CE2 2.95Å; L335-A1026 HydrophobicContact CD2-CB 3.56Å; L335-L1027 HydrophobicContact CD2-CB 4.08Å; L335-E1030 HydrophobicContact CD1-CB 3.88Å; L335-E1030 VanDerWaalsContact CD1-CD 3.48Å; L335-E1030 HydrophobicContact CD1-CG 4.26Å; L335-E1030 WeakPolarHBondContact CD1-OE2 3.32Å
336	I	83.8	Confident	67.6	Low	0 Å²	0	74.8 Å²	74.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-77.1	-27.6	177.2	-168	62.2	0	0	0	113.3	S334 Y339 S340 T401 L402 R464 V466 F623 W624	S334-I336 PolarHBondContact O-N 3.47Å; S334-I336 VanDerWaalsContact O-N 3.11Å; S334-I336 VanDerWaalsContact OG-CG2 3.24Å; S334-I336 WeakPolarHBondContact OG-CG2 3.45Å; I336-Y339 HydrophobicContact CD1-CD1 4.11Å; I336-S340 WeakPolarHBondContact O-CB 3.28Å; I336-S340 PolarHBondContact O-N 2.88Å; I336-T401 HydrophobicContact CG1-CG2 4.24Å; I336-L402 WeakPolarHBondContact CG1-O 3.4Å; I336-R464 HydrophobicContact CB-CB 4.13Å; I336-R464 HydrophobicContact CG1-CB 4.39Å; I336-R464 HydrophobicContact CG2-CB 3.99Å; I336-R464 HydrophobicContact CG2-CG 4.31Å; I336-V466 HydrophobicContact CD1-CG2 3.85Å; I336-F623 HydrophobicContact CD1-CE1 3.82Å; I336-F623 HydrophobicContact CD1-CZ 3.92Å; I336-W624 HydrophobicContact CB-CH2 4.43Å; I336-W624 HydrophobicContact CB-CZ2 4.13Å; I336-W624 HydrophobicContact CD1-CH2 4.49Å; I336-W624 HydrophobicContact CD1-CZ2 4.13Å
337	D	82.8	Confident	69.4	Low	34 Å²	34	71.7 Å²	71.7	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-66.6	-45.1	168.2	-64.9	-51.8	0	0	0	110.9	K333 S334 Y339 S340 E341 K458	K333-D337 HydrophobicContact CB-CB 4.17Å; S334-D337 WeakPolarHBondContact CB-OD2 3.49Å; S334-D337 PolarHBondContact N-OD2 2.97Å; S334-D337 VanDerWaalsContact N-OD2 3.08Å; S334-D337 WeakPolarHBondContact O-CA 3.29Å; S334-D337 WeakPolarHBondContact O-CB 3.41Å; S334-D337 PolarHBondContact O-N 3.36Å; S334-D337 PolarHBondContact OG-N 3.4Å; S334-D337 PolarHBondContact OG-OD2 3.16Å; D337-Y339 VanDerWaalsContact C-N 3.35Å; D337-S340 PolarHBondContact O-N 3.34Å; D337-E341 WeakPolarHBondContact O-CB 3.46Å; D337-E341 PolarHBondContact O-N 3.32Å; D337-K458 WeakPolarHBondContact OD1-CE 3.41Å; D337-K458 IonicContact OD1-NZ 2.75Å; D337-K458 PolarHBondContact OD1-NZ 3.09Å; D337-K458 IonicContact OD2-NZ 2.78Å; D337-K458 PolarHBondContact OD2-NZ 3.12Å; D337-K458 VanDerWaalsContact OD2-NZ 3.09Å
338	L	84.6	Confident	71	Confident	30 Å²	30	68.5 Å²	68.5	16%	0.157	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-41.5	175.3	-69.3	172.9	0	0	0	111.6	K333 S334 L335 E341 V342 F1023 A1026	K333-L338 HydrophobicContact CB-CD2 3.82Å; K333-L338 HydrophobicContact CB-CG 3.82Å; K333-L338 HydrophobicContact CD-CD2 3.83Å; K333-L338 HydrophobicContact CG-CD2 4.45Å; S334-L338 PolarHBondContact O-N 2.86Å; L335-L338 PolarHBondContact O-N 3.33Å; L338-E341 PolarHBondContact O-N 3Å; L338-V342 WeakPolarHBondContact O-CG2 3.42Å; L338-V342 PolarHBondContact O-N 3.37Å; L338-F1023 HydrophobicContact CB-CB 4.48Å; L338-F1023 HydrophobicContact CB-CD2 3.98Å; L338-A1026 HydrophobicContact CD1-CB 4.18Å
339	Y	86	Confident	72.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-40	176	-173.7	-105.8	0	0	0	112.4	L335 I336 D337 V342 L343 L359 P360 V466 F623 V627 F1023	L335-Y339 WeakPolarHBondContact O-CB 3.38Å; L335-Y339 PolarHBondContact O-N 3.26Å; I336-Y339 HydrophobicContact CD1-CD1 4.11Å; D337-Y339 VanDerWaalsContact C-N 3.35Å; Y339-V342 PolarHBondContact O-N 2.9Å; Y339-L343 HydrophobicContact CD1-CD1 3.92Å; Y339-L343 HydrophobicContact CD1-CG 4.29Å; Y339-L343 HydrophobicContact CE1-CD1 3.53Å; Y339-L343 HydrophobicContact CE1-CD2 4.49Å; Y339-L343 HydrophobicContact CE1-CG 3.96Å; Y339-L343 WeakPolarHBondContact O-CG 3.49Å; Y339-L343 PolarHBondContact O-N 3.31Å; Y339-L359 HydrophobicContact CE2-CD1 4.28Å; Y339-L359 HydrophobicContact CE2-CD2 4.34Å; Y339-P360 WeakPolarHBondContact OH-CD 3.11Å; Y339-P360 VanDerWaalsContact OH-N 3.14Å; Y339-P360 PolarHBondContact OH-O 2.92Å; Y339-V466 HydrophobicContact CD1-CG2 4.05Å; Y339-V466 HydrophobicContact CE1-CG2 4.28Å; Y339-F623 AromaticContact CD1-CZ 3.86Å; Y339-F623 HydrophobicContact CD1-CZ 3.86Å; Y339-F623 AromaticContact CE1-CE2 3.96Å; Y339-F623 HydrophobicContact CE1-CE2 3.96Å; Y339-F623 AromaticContact CE1-CZ 3.52Å; Y339-F623 HydrophobicContact CE1-CZ 3.52Å; Y339-V627 HydrophobicContact CD2-CG1 4.07Å; Y339-V627 HydrophobicContact CE1-CG2 4.26Å; Y339-V627 HydrophobicContact CE2-CG1 3.77Å; Y339-V627 HydrophobicContact CE2-CG2 4.02Å; Y339-F1023 AromaticContact CD2-CE1 3.89Å; Y339-F1023 HydrophobicContact CD2-CE1 3.89Å; Y339-F1023 HydrophobicContact CD2-CE2 4.24Å; Y339-F1023 AromaticContact CD2-CZ 3.71Å; Y339-F1023 HydrophobicContact CD2-CZ 3.71Å; Y339-F1023 HydrophobicContact CG-CE2 4.45Å; Y339-F1023 HydrophobicContact CG-CZ 4.27Å
340	S	83.8	Confident	73.5	Confident	14 Å²	14	55 Å²	55	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-44.1	173.6	-166.4	0	0	0	0	111.2	I336 D337 V342 L343 D344 T401	I336-S340 WeakPolarHBondContact O-CB 3.28Å; I336-S340 PolarHBondContact O-N 2.88Å; D337-S340 PolarHBondContact O-N 3.34Å; S340-V342 VanDerWaalsContact C-N 3.32Å; S340-V342 PolarHBondContact O-N 3.49Å; S340-L343 CarbonylContact O-C 3.58Å; S340-L343 WeakPolarHBondContact O-CB 3.44Å; S340-L343 PolarHBondContact O-N 2.9Å; S340-L343 VanDerWaalsContact O-N 3.11Å; S340-D344 WeakPolarHBondContact O-CB 3.49Å; S340-D344 PolarHBondContact O-N 3.49Å; S340-D344 PolarHBondContact OG-OD2 3.42Å; S340-T401 PolarHBondContact OG-OG1 2.75Å
341	E	82.9	Confident	74	Confident	40 Å²	40	50.9 Å²	50.9	19%	0.187	27%	0.274	C	S	.	.	H	α-helix	trans	-57.8	-42.1	175.8	-179.1	175.2	-177.2	0	0	112	K333 D337 L338 D344 I345 K1019	K333-E341 WeakPolarHBondContact CD-OE2 3.47Å; K333-E341 IonicContact NZ-OE1 2.68Å; K333-E341 PolarHBondContact NZ-OE1 2.83Å; K333-E341 IonicContact NZ-OE2 2.86Å; K333-E341 PolarHBondContact NZ-OE2 3.47Å; D337-E341 WeakPolarHBondContact O-CB 3.46Å; D337-E341 PolarHBondContact O-N 3.32Å; L338-E341 PolarHBondContact O-N 3Å; E341-D344 PolarHBondContact O-N 2.82Å; E341-I345 HydrophobicContact CG-CD1 3.96Å; E341-I345 VanDerWaalsContact O-CG1 3.27Å; E341-I345 WeakPolarHBondContact O-CG1 3.2Å; E341-I345 PolarHBondContact O-N 2.91Å; E341-K1019 HydrophobicContact CG-CD 4.44Å; E341-K1019 IonicContact OE1-NZ 3.98Å; E341-K1019 PolarHBondContact OE1-NZ 3.49Å
342	V	84.2	Confident	73.9	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-47.9	171.8	168.3	0	0	0	0	111.5	L338 Y339 S340 D344 I345 L346 L359 K1019 L1020	L338-V342 WeakPolarHBondContact O-CG2 3.42Å; L338-V342 PolarHBondContact O-N 3.37Å; Y339-V342 PolarHBondContact O-N 2.9Å; S340-V342 VanDerWaalsContact C-N 3.32Å; S340-V342 PolarHBondContact O-N 3.49Å; V342-D344 PolarHBondContact O-N 2.88Å; V342-I345 PolarHBondContact O-N 3.12Å; V342-L346 HydrophobicContact CG1-CD1 3.81Å; V342-L346 WeakPolarHBondContact O-CB 3.4Å; V342-L346 WeakPolarHBondContact O-CD1 3.24Å; V342-L346 VanDerWaalsContact O-CG 3.22Å; V342-L346 WeakPolarHBondContact O-CG 3.28Å; V342-L346 PolarHBondContact O-N 3.05Å; V342-L359 HydrophobicContact CG1-CD1 3.79Å; V342-K1019 HydrophobicContact CG2-CB 3.83Å; V342-L1020 HydrophobicContact CG1-CD2 3.65Å; V342-L1020 HydrophobicContact CG1-CG 3.99Å
343	L	80.9	Confident	73.5	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-33.8	176.4	-77.3	-179.9	0	0	0	113	Y339 S340 S347 L359 R361 V466	Y339-L343 HydrophobicContact CD1-CD1 3.92Å; Y339-L343 HydrophobicContact CD1-CG 4.29Å; Y339-L343 HydrophobicContact CE1-CD1 3.53Å; Y339-L343 HydrophobicContact CE1-CD2 4.49Å; Y339-L343 HydrophobicContact CE1-CG 3.96Å; Y339-L343 WeakPolarHBondContact O-CG 3.49Å; Y339-L343 PolarHBondContact O-N 3.31Å; S340-L343 CarbonylContact O-C 3.58Å; S340-L343 WeakPolarHBondContact O-CB 3.44Å; S340-L343 PolarHBondContact O-N 2.9Å; S340-L343 VanDerWaalsContact O-N 3.11Å; L343-S347 PolarHBondContact O-N 3.22Å; L343-S347 PolarHBondContact O-OG 3.06Å; L343-L359 HydrophobicContact CD2-CB 3.64Å; L343-L359 HydrophobicContact CD2-CD1 3.91Å; L343-L359 HydrophobicContact CD2-CG 4.45Å; L343-R361 HydrophobicContact CD1-CG 4.26Å; L343-V466 HydrophobicContact CD1-CB 4.34Å; L343-V466 HydrophobicContact CD1-CG1 4.15Å; L343-V466 HydrophobicContact CD1-CG2 4.05Å
344	D	78.7	Confident	72.6	Confident	21 Å²	21	52.3 Å²	52.3	11%	0.112	28%	0.281	C	S	.	.	H	α-helix	trans	-75	-48.1	-179.5	-80.4	-59.6	0	0	0	111.9	S340 E341 V342 L346 S347 D348 K399 K413	S340-D344 WeakPolarHBondContact O-CB 3.49Å; S340-D344 PolarHBondContact O-N 3.49Å; S340-D344 PolarHBondContact OG-OD2 3.42Å; E341-D344 PolarHBondContact O-N 2.82Å; V342-D344 PolarHBondContact O-N 2.88Å; D344-L346 PolarHBondContact O-N 2.95Å; D344-S347 PolarHBondContact O-N 3.15Å; D344-S347 PolarHBondContact O-OG 2.61Å; D344-D348 VanDerWaalsContact O-CG 3.24Å; D344-D348 PolarHBondContact O-N 3.43Å; D344-K399 IonicContact OD1-NZ 2.72Å; D344-K399 PolarHBondContact OD1-NZ 3.27Å; D344-K399 IonicContact OD2-NZ 3.77Å; D344-K399 PolarHBondContact OD2-NZ 3Å; D344-K413 WeakPolarHBondContact OD1-CD 3.28Å; D344-K413 VanDerWaalsContact OD1-CE 3.31Å; D344-K413 WeakPolarHBondContact OD1-CE 3.32Å; D344-K413 IonicContact OD1-NZ 2.71Å; D344-K413 PolarHBondContact OD1-NZ 2.95Å
345	I	78.2	Confident	71.1	Confident	41 Å²	41	53 Å²	53	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-34.2	176.6	-63.3	165.1	0	0	0	110.9	E341 V342 D348 I1016 K1019	E341-I345 HydrophobicContact CG-CD1 3.96Å; E341-I345 VanDerWaalsContact O-CG1 3.27Å; E341-I345 WeakPolarHBondContact O-CG1 3.2Å; E341-I345 PolarHBondContact O-N 2.91Å; V342-I345 PolarHBondContact O-N 3.12Å; I345-D348 PolarHBondContact O-N 2.9Å; I345-I1016 HydrophobicContact CG2-CD1 4.41Å; I345-I1016 HydrophobicContact CG2-CG1 3.66Å; I345-K1019 HydrophobicContact CD1-CD 3.83Å; I345-K1019 HydrophobicContact CD1-CG 3.86Å
346	L	77.1	Confident	69.6	Low	7 Å²	7	52.8 Å²	52.8	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-52.4	173.2	-75.4	169.1	0	0	0	111.4	V342 D344 D348 Y349 Q356 L359 F638 I1016	V342-L346 HydrophobicContact CG1-CD1 3.81Å; V342-L346 WeakPolarHBondContact O-CB 3.4Å; V342-L346 WeakPolarHBondContact O-CD1 3.24Å; V342-L346 VanDerWaalsContact O-CG 3.22Å; V342-L346 WeakPolarHBondContact O-CG 3.28Å; V342-L346 PolarHBondContact O-N 3.05Å; D344-L346 PolarHBondContact O-N 2.95Å; L346-D348 PolarHBondContact O-N 2.95Å; L346-D348 VanDerWaalsContact O-N 3.07Å; L346-Y349 WeakPolarHBondContact O-CA 3.42Å; L346-Y349 WeakPolarHBondContact O-CB 3.35Å; L346-Y349 PolarHBondContact O-N 3.29Å; L346-Q356 VanDerWaalsContact O-CD 3.23Å; L346-Q356 PolarHBondContact O-NE2 2.93Å; L346-Q356 PolarHBondContact O-OE1 3.07Å; L346-L359 HydrophobicContact CD1-CD1 3.46Å; L346-L359 VanDerWaalsContact CD1-CD1 3.46Å; L346-L359 HydrophobicContact CD1-CG 4.37Å; L346-F638 HydrophobicContact CD2-CE1 4.29Å; L346-F638 HydrophobicContact CD2-CE2 3.71Å; L346-F638 HydrophobicContact CD2-CZ 3.38Å; L346-I1016 HydrophobicContact CD2-CD1 4.38Å; L346-I1016 HydrophobicContact CD2-CG2 3.92Å
347	S	71.9	Confident	68.4	Low	59 Å²	59	55.1 Å²	55.1	41%	0.413	30%	0.295	S	S	.	.	H	α-helix	trans	-56.1	-31.8	178.8	46	0	0	0	0	113.7	L343 D344 Y349 D350	L343-S347 PolarHBondContact O-N 3.22Å; L343-S347 PolarHBondContact O-OG 3.06Å; D344-S347 PolarHBondContact O-N 3.15Å; D344-S347 PolarHBondContact O-OG 2.61Å; S347-Y349 PolarHBondContact O-N 3.24Å; S347-D350 PolarHBondContact O-N 3.36Å
348	D	70	Confident	67.7	Low	112 Å²	112	56.5 Å²	56.5	60%	0.599	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-9	178.6	-56.9	-19.5	0	0	0	113	D344 I345 L346 K413	D344-D348 VanDerWaalsContact O-CG 3.24Å; D344-D348 PolarHBondContact O-N 3.43Å; I345-D348 PolarHBondContact O-N 2.9Å; L346-D348 PolarHBondContact O-N 2.95Å; L346-D348 VanDerWaalsContact O-N 3.07Å; D348-K413 IonicContact OD1-NZ 3.16Å; D348-K413 IonicContact OD2-NZ 2.73Å
349	Y	66.7	Low	67.6	Low	38 Å²	38	55.1 Å²	55.1	15%	0.149	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-9.5	176.8	-173.6	-103.8	0	0	0	113.6	L346 S347 S351 K1012 V1013 I1016	L346-Y349 WeakPolarHBondContact O-CA 3.42Å; L346-Y349 WeakPolarHBondContact O-CB 3.35Å; L346-Y349 PolarHBondContact O-N 3.29Å; S347-Y349 PolarHBondContact O-N 3.24Å; Y349-S351 PolarHBondContact O-N 2.83Å; Y349-K1012 HydrophobicContact CD2-CB 4.14Å; Y349-K1012 HydrophobicContact CD2-CD 3.94Å; Y349-K1012 HydrophobicContact CE2-CB 4.08Å; Y349-K1012 HydrophobicContact CE2-CD 4.18Å; Y349-V1013 HydrophobicContact CE2-CG2 4.26Å; Y349-V1013 WeakPolarHBondContact OH-CG2 3.49Å; Y349-I1016 HydrophobicContact CD1-CD1 4.45Å; Y349-I1016 HydrophobicContact CD2-CD1 4.15Å; Y349-I1016 HydrophobicContact CG-CD1 4.07Å
350	D	57.7	Low	67.7	Low	69 Å²	69	55.1 Å²	55.1	37%	0.369	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	15.3	-157.2	-149.4	19.9	0	0	0	118.5	S347 N352 Y353 Q356	S347-D350 PolarHBondContact O-N 3.36Å; D350-N352 PolarHBondContact O-N 3.01Å; D350-Y353 VanDerWaalsContact OD1-O 3.09Å; D350-Q356 VanDerWaalsContact CB-CD 3.49Å; D350-Q356 HydrophobicContact CB-CG 4.24Å; D350-Q356 WeakPolarHBondContact OD1-CB 3.49Å; D350-Q356 VanDerWaalsContact OD1-CD 3.31Å; D350-Q356 WeakPolarHBondContact OD1-CG 3.28Å; D350-Q356 PolarHBondContact OD1-NE2 2.9Å
351	S	51.8	Low	68	Low	110 Å²	110	55.7 Å²	55.7	77%	0.769	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.2	-177.9	45.9	0	0	0	0	114.6	Y349	Y349-S351 PolarHBondContact O-N 2.83Å
352	N	43.5	Very low	68.5	Low	143 Å²	143	53.8 Å²	53.8	77%	0.765	28%	0.284	S	S	*	.	S	Bend	trans	-135.6	-11.9	-165.9	-76	-22.8	0	0	0	117.7	D350	D350-N352 PolarHBondContact O-N 3.01Å
353	Y	47.1	Very low	69	Low	157 Å²	157	53.6 Å²	53.6	62%	0.616	28%	0.283	S	S	*	.			trans	-139	117.2	-171	-93.1	-85	0	0	0	114.3	D350 T355	D350-Y353 VanDerWaalsContact OD1-O 3.09Å; Y353-T355 PolarHBondContact O-N 3.15Å; Y353-T355 PolarHBondContact O-OG1 3.11Å
354	N	49.7	Very low	69.6	Low	174 Å²	174	53.6 Å²	53.6	93%	0.93	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	20.2	178.5	-80.4	-14.2	0	0	0	116.7
355	T	48.6	Very low	70.3	Confident	43 Å²	43	52.7 Å²	52.7	26%	0.264	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.2	-178.1	43.1	0	0	0	0	114.1	Y353 H358	Y353-T355 PolarHBondContact O-N 3.15Å; Y353-T355 PolarHBondContact O-OG1 3.11Å; T355-H358 PolarHBondContact O-ND1 2.85Å
356	Q	51.6	Low	70.9	Confident	10 Å²	10	50.8 Å²	50.8	5%	0.047	27%	0.269	C	S	.	.			trans	-87.1	-45.8	-147.4	-79.9	-138.9	33.9	0	0	119.1	L346 D350 H358	L346-Q356 VanDerWaalsContact O-CD 3.23Å; L346-Q356 PolarHBondContact O-NE2 2.93Å; L346-Q356 PolarHBondContact O-OE1 3.07Å; D350-Q356 VanDerWaalsContact CB-CD 3.49Å; D350-Q356 HydrophobicContact CB-CG 4.24Å; D350-Q356 WeakPolarHBondContact OD1-CB 3.49Å; D350-Q356 VanDerWaalsContact OD1-CD 3.31Å; D350-Q356 WeakPolarHBondContact OD1-CG 3.28Å; D350-Q356 PolarHBondContact OD1-NE2 2.9Å; Q356-H358 PolarHBondContact O-N 3.45Å
357	D	59.2	Low	71.5	Confident	48 Å²	48	51.5 Å²	51.5	26%	0.257	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	68.5	-166.7	-127.2	56.5	0	0	0	112.5	R361 N499	D357-R361 IonicContact OD1-CZ 2.74Å; D357-R361 IonicContact OD1-NH1 3.56Å; D357-R361 PolarHBondContact OD1-NH1 3.31Å; D357-R361 IonicContact OD1-NH2 2.79Å; D357-R361 PolarHBondContact OD1-NH2 2.89Å; D357-R361 IonicContact OD2-CZ 3.11Å; D357-R361 IonicContact OD2-NH1 3.39Å; D357-R361 PolarHBondContact OD2-NH1 2.91Å; D357-N499 VanDerWaalsContact C-CG 3.5Å; D357-N499 HydrophobicContact CB-CB 4.07Å; D357-N499 WeakPolarHBondContact O-CA 3.31Å; D357-N499 WeakPolarHBondContact O-CB 3.48Å; D357-N499 PolarHBondContact O-ND2 3.44Å; D357-N499 PolarHBondContact O-OD1 2.88Å; D357-N499 VanDerWaalsContact O-OD1 3.12Å; D357-N499 VanDerWaalsContact OD2-CB 3.29Å; D357-N499 WeakPolarHBondContact OD2-CB 3.43Å; D357-N499 PolarHBondContact OD2-ND2 3.44Å
358	H	68.3	Low	72.2	Confident	63 Å²	63	52.1 Å²	52.1	29%	0.292	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-10.5	177.5	-67	115.3	0	0	0	113.4	T355 Q356 N501 Q634	T355-H358 PolarHBondContact O-ND1 2.85Å; Q356-H358 PolarHBondContact O-N 3.45Å; H358-N501 VanDerWaalsContact O-CB 3.31Å; H358-N501 WeakPolarHBondContact O-CB 3.42Å; H358-N501 PolarHBondContact O-ND2 3.19Å; H358-Q634 VanDerWaalsContact CB-CD 3.49Å; H358-Q634 HydrophobicContact CB-CG 4.27Å
359	L	82.7	Confident	72.9	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	27%	0.265	C	S	.	.	S	Bend	trans	-80.4	131.6	170.7	-75.7	-172.8	0	0	0	110.3	Y339 V342 L343 L346 N499 V631 Q634	Y339-L359 HydrophobicContact CE2-CD1 4.28Å; Y339-L359 HydrophobicContact CE2-CD2 4.34Å; V342-L359 HydrophobicContact CG1-CD1 3.79Å; L343-L359 HydrophobicContact CD2-CB 3.64Å; L343-L359 HydrophobicContact CD2-CD1 3.91Å; L343-L359 HydrophobicContact CD2-CG 4.45Å; L346-L359 HydrophobicContact CD1-CD1 3.46Å; L346-L359 VanDerWaalsContact CD1-CD1 3.46Å; L346-L359 HydrophobicContact CD1-CG 4.37Å; L359-N499 PolarHBondContact O-ND2 3.47Å; L359-V631 HydrophobicContact CD2-CB 4.46Å; L359-V631 HydrophobicContact CD2-CG2 4.36Å; L359-Q634 HydrophobicContact CD2-CB 4.33Å; L359-Q634 HydrophobicContact CD2-CG 3.91Å; L359-Q634 HydrophobicContact CG-CG 4.39Å
360	P	87.2	Confident	73.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.			trans	-59.1	137.8	-179.2	-27.7	34	0	0	0	114.6	Y339 N501 F623 M626 V627 S630	Y339-P360 WeakPolarHBondContact OH-CD 3.11Å; Y339-P360 VanDerWaalsContact OH-N 3.14Å; Y339-P360 PolarHBondContact OH-O 2.92Å; P360-N501 WeakPolarHBondContact CA-O 3.43Å; P360-N501 WeakPolarHBondContact CB-O 3.41Å; P360-N501 HydrophobicContact CG-CB 4.21Å; P360-F623 HydrophobicContact CB-CD2 4.45Å; P360-M626 HydrophobicContact CB-CB 4.19Å; P360-M626 HydrophobicContact CG-CB 3.64Å; P360-V627 HydrophobicContact CB-CG2 3.98Å; P360-V627 HydrophobicContact CG-CG2 3.99Å; P360-S630 WeakPolarHBondContact CD-OG 3.36Å
361	R	90.2	Very high	75.1	Confident	25 Å²	25	45.6 Å²	45.6	9%	0.094	25%	0.245	C	C	.	.			trans	-138.2	151.2	165.9	-50.9	-170.8	-162.5	100.4	2.4	108.1	L343 D357 V363 V468 I503	L343-R361 HydrophobicContact CD1-CG 4.26Å; D357-R361 IonicContact OD1-CZ 2.74Å; D357-R361 IonicContact OD1-NH1 3.56Å; D357-R361 PolarHBondContact OD1-NH1 3.31Å; D357-R361 IonicContact OD1-NH2 2.79Å; D357-R361 PolarHBondContact OD1-NH2 2.89Å; D357-R361 IonicContact OD2-CZ 3.11Å; D357-R361 IonicContact OD2-NH1 3.39Å; D357-R361 PolarHBondContact OD2-NH1 2.91Å; R361-V363 PolarHBondContact O-N 2.82Å; R361-V468 HydrophobicContact CB-CG2 4.42Å; R361-I503 PolarHBondContact O-N 2.67Å
362	V	93.9	Very high	76.9	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	100.9	174.2	-175.4	0	0	0	0	108.5	V466 L467 V468 I503 L505 V619 F623	V362-V466 PolarHBondContact N-O 2.9Å; V362-L467 HydrophobicContact CB-CB 4.5Å; V362-L467 HydrophobicContact CB-CD2 4.22Å; V362-L467 HydrophobicContact CB-CG 4.13Å; V362-L467 HydrophobicContact CG1-CD2 3.97Å; V362-L467 HydrophobicContact CG1-CG 4.44Å; V362-L467 CarbonylContact O-C 3.59Å; V362-L467 VanDerWaalsContact O-CA 3.28Å; V362-L467 WeakPolarHBondContact O-CA 3.32Å; V362-V468 PolarHBondContact O-N 2.85Å; V362-I503 CarbonylContact C-O 3.56Å; V362-I503 HydrophobicContact CG2-CB 4.45Å; V362-L505 HydrophobicContact CG1-CB 3.97Å; V362-L505 HydrophobicContact CG1-CD2 4.29Å; V362-V619 HydrophobicContact CB-CG1 4.43Å; V362-V619 HydrophobicContact CG1-CG1 3.85Å; V362-V619 HydrophobicContact CG2-CG1 3.75Å; V362-F623 HydrophobicContact CG2-CB 4.41Å; V362-F623 HydrophobicContact CG2-CD2 4.07Å
363	V	93.8	Very high	79	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	115	-176.2	-178.1	0	0	0	0	108.8	R361 V365 L470 M497 A502 I503 L505	R361-V363 PolarHBondContact O-N 2.82Å; V363-V365 HydrophobicContact CG1-CG1 4.16Å; V363-L470 HydrophobicContact CG1-CD1 3.58Å; V363-L470 HydrophobicContact CG1-CG 4.44Å; V363-M497 HydrophobicContact CG1-CG 4.41Å; V363-A502 HydrophobicContact CG2-CB 3.9Å; V363-I503 PolarHBondContact N-O 2.59Å; V363-L505 PolarHBondContact O-N 3.18Å
364	V	93.9	Very high	80.9	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.5	-174	-171.5	0	0	0	0	109.7	K372 L467 V468 L505 I507	V364-K372 HydrophobicContact CG1-CB 4.12Å; V364-K372 HydrophobicContact CG1-CD 4.22Å; V364-K372 HydrophobicContact CG1-CG 4.02Å; V364-L467 HydrophobicContact CG2-CB 4.44Å; V364-L467 HydrophobicContact CG2-CD2 4.22Å; V364-V468 WeakPolarHBondContact CB-O 3.5Å; V364-V468 PolarHBondContact N-O 2.59Å; V364-L505 HydrophobicContact CG1-CD2 4.5Å; V364-L505 HydrophobicContact CG2-CD2 4.21Å; V364-I507 HydrophobicContact CG1-CD1 3.44Å; V364-I507 VanDerWaalsContact CG1-CD1 3.44Å; V364-I507 HydrophobicContact CG1-CG1 4.29Å
365	V	93.1	Very high	82.9	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.5	-178.6	-66.4	0	0	0	0	111.5	V363 L470 M497 I504 L505 I507 V519 V523	V363-V365 HydrophobicContact CG1-CG1 4.16Å; V365-L470 HydrophobicContact CG1-CD1 3.98Å; V365-M497 HydrophobicContact CG1-CG 4.3Å; V365-M497 HydrophobicContact CG1-SD 3.86Å; V365-M497 HydrophobicContact CG2-CE 4.41Å; V365-M497 HydrophobicContact CG2-SD 4.49Å; V365-I504 HydrophobicContact CG2-CG2 3.66Å; V365-L505 PolarHBondContact N-O 3.1Å; V365-L505 VanDerWaalsContact O-O 3.12Å; V365-I507 PolarHBondContact O-N 2.66Å; V365-V519 HydrophobicContact CB-CG2 3.93Å; V365-V519 HydrophobicContact CG2-CG2 3.91Å; V365-V523 HydrophobicContact CG2-CG2 3.95Å
366	G	91.5	Very high	84.9	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.01	10%	0.103	C	C	.	.			trans	171.5	155.8	-175	0	0	0	0	0	110.7	K372 V473 I507	G366-K372 PolarHBondContact O-NZ 3.23Å; G366-V473 PolarHBondContact O-N 2.88Å; G366-I507 VanDerWaalsContact CA-O 3.28Å; G366-I507 WeakPolarHBondContact CA-O 3.27Å
367	D	89.5	Confident	86.7	Confident	22 Å²	22	18.2 Å²	18.2	12%	0.118	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-63	164.6	174.5	-60.1	-45.1	0	0	0	111.1	A370 K372 S517 I518 V519	D367-A370 HydrophobicContact CB-CB 4.5Å; D367-A370 WeakPolarHBondContact O-CB 3.28Å; D367-A370 PolarHBondContact O-N 2.91Å; D367-K372 PolarHBondContact O-NZ 3.5Å; D367-S517 VanDerWaalsContact OD2-CA 3.23Å; D367-S517 WeakPolarHBondContact OD2-CA 3.2Å; D367-S517 VanDerWaalsContact OD2-CB 3.31Å; D367-S517 WeakPolarHBondContact OD2-CB 3.14Å; D367-S517 PolarHBondContact OD2-OG 2.85Å; D367-I518 PolarHBondContact OD1-N 3Å; D367-I518 PolarHBondContact OD2-N 3.48Å; D367-V519 PolarHBondContact OD1-N 3Å
368	Q	87.3	Confident	88.1	Confident	72 Å²	72	16.5 Å²	16.5	34%	0.336	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	141	176	-170.5	-179.5	-5.4	0	0	110.7	A370 E391 V473 I474	Q368-A370 PolarHBondContact O-N 3.22Å; Q368-E391 PolarHBondContact NE2-O 2.94Å; Q368-V473 PolarHBondContact N-O 3.2Å; Q368-I474 HydrophobicContact CB-CG2 4.32Å
369	S	83.8	Confident	89.2	Confident	72 Å²	72	13.7 Å²	13.7	50%	0.503	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	3.3	-179.6	-58.9	0	0	0	0	117.2	G371 K539	S369-G371 PolarHBondContact O-N 2.89Å; S369-K539 PolarHBondContact O-NZ 3.28Å
370	A	85	Confident	89.5	Confident	1 Å²	1	13.6 Å²	13.6	1%	0.008	8%	0.079	C	C	.	.	S	Bend	trans	-69.8	14	175	0	0	0	0	0	115.2	D367 Q368 I507 D509 T538	D367-A370 HydrophobicContact CB-CB 4.5Å; D367-A370 WeakPolarHBondContact O-CB 3.28Å; D367-A370 PolarHBondContact O-N 2.91Å; Q368-A370 PolarHBondContact O-N 3.22Å; A370-I507 VanDerWaalsContact O-CG2 3.28Å; A370-I507 WeakPolarHBondContact O-CG2 3.31Å; A370-D509 HydrophobicContact CB-CB 4.18Å; A370-T538 PolarHBondContact O-OG1 2.88Å
371	G	85.9	Confident	89.6	Confident	10 Å²	10	16.5 Å²	16.5	10%	0.103	9%	0.092	C	C	.	.	S	Bend	trans	86.9	1.9	171.3	0	0	0	0	0	117.5	S369 T373 S374 V375	S369-G371 PolarHBondContact O-N 2.89Å; G371-T373 PolarHBondContact O-N 2.89Å; G371-S374 WeakPolarHBondContact O-CA 3.28Å; G371-S374 VanDerWaalsContact O-CB 3.26Å; G371-S374 WeakPolarHBondContact O-CB 3.48Å; G371-S374 PolarHBondContact O-N 2.71Å; G371-V375 PolarHBondContact O-N 2.88Å
372	K	88.6	Confident	89.4	Confident	12 Å²	12	15.5 Å²	15.5	5%	0.052	9%	0.09	C	C	.	.	H	α-helix	trans	-37.1	-63.5	179.4	-75.6	-172.3	-66.3	-62.1	0	114.4	V364 G366 D367 S374 V375 L376 L470 I507	V364-K372 HydrophobicContact CG1-CB 4.12Å; V364-K372 HydrophobicContact CG1-CD 4.22Å; V364-K372 HydrophobicContact CG1-CG 4.02Å; G366-K372 PolarHBondContact O-NZ 3.23Å; D367-K372 PolarHBondContact O-NZ 3.5Å; K372-S374 PolarHBondContact O-N 2.91Å; K372-V375 WeakPolarHBondContact O-CB 3.18Å; K372-V375 PolarHBondContact O-N 3.08Å; K372-V375 VanDerWaalsContact O-N 3.09Å; K372-L376 PolarHBondContact O-N 2.83Å; K372-L470 WeakPolarHBondContact CE-O 3.46Å; K372-I507 HydrophobicContact CB-CD1 4.41Å; K372-I507 HydrophobicContact CG-CB 4.2Å; K372-I507 HydrophobicContact CG-CD1 4.27Å
373	T	87.3	Confident	89	Confident	25 Å²	25	16.9 Å²	16.9	15%	0.153	10%	0.095	C	C	.	.	H	α-helix	trans	-65.3	-25.7	-177.3	-40.1	0	0	0	0	112.3	G371 E377 F385 D469	G371-T373 PolarHBondContact O-N 2.89Å; T373-E377 WeakPolarHBondContact O-CB 3.48Å; T373-E377 WeakPolarHBondContact O-CG 3.1Å; T373-E377 PolarHBondContact O-N 2.96Å; T373-F385 HydrophobicContact CG2-CB 3.37Å; T373-F385 HydrophobicContact CG2-CD1 4.07Å; T373-F385 HydrophobicContact CG2-CD2 3.6Å; T373-F385 HydrophobicContact CG2-CE2 4.41Å; T373-F385 HydrophobicContact CG2-CG 3.4Å; T373-D469 PolarHBondContact OG1-OD2 2.72Å
374	S	88.7	Confident	88.6	Confident	19 Å²	19	16.8 Å²	16.8	13%	0.133	9%	0.094	C	C	.	.	H	α-helix	trans	-71.7	-39.6	171.7	-54	0	0	0	0	112.7	G371 K372 L376 M378 R387 T574	G371-S374 WeakPolarHBondContact O-CA 3.28Å; G371-S374 VanDerWaalsContact O-CB 3.26Å; G371-S374 WeakPolarHBondContact O-CB 3.48Å; G371-S374 PolarHBondContact O-N 2.71Å; K372-S374 PolarHBondContact O-N 2.91Å; S374-L376 VanDerWaalsContact C-N 3.32Å; S374-M378 VanDerWaalsContact O-CG 3.26Å; S374-M378 WeakPolarHBondContact O-CG 3.3Å; S374-M378 PolarHBondContact O-N 3.03Å; S374-M378 VanDerWaalsContact O-N 3.1Å; S374-R387 PolarHBondContact OG-NH2 3.47Å; S374-T574 VanDerWaalsContact CB-OG1 3.25Å; S374-T574 WeakPolarHBondContact CB-OG1 3.31Å
375	V	90.4	Very high	88.3	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-62.8	-43.3	172.1	176.4	0	0	0	0	109.6	G371 K372 M378 I379 I507 V536 T538 V572 T574 L615	G371-V375 PolarHBondContact O-N 2.88Å; K372-V375 WeakPolarHBondContact O-CB 3.18Å; K372-V375 PolarHBondContact O-N 3.08Å; K372-V375 VanDerWaalsContact O-N 3.09Å; V375-M378 PolarHBondContact O-N 2.88Å; V375-I379 HydrophobicContact CG1-CD1 3.8Å; V375-I379 HydrophobicContact CG1-CG1 4.45Å; V375-I379 VanDerWaalsContact O-CG1 3.32Å; V375-I379 WeakPolarHBondContact O-CG1 3.44Å; V375-I379 PolarHBondContact O-N 2.89Å; V375-I507 HydrophobicContact CB-CD1 3.83Å; V375-I507 HydrophobicContact CG1-CD1 4.02Å; V375-I507 HydrophobicContact CG2-CD1 3.97Å; V375-I507 HydrophobicContact CG2-CG2 4.2Å; V375-V536 HydrophobicContact CG2-CG1 4.39Å; V375-T538 HydrophobicContact CG2-CG2 3.84Å; V375-V572 HydrophobicContact CG2-CG2 4.36Å; V375-T574 HydrophobicContact CG2-CG2 3.9Å; V375-L615 HydrophobicContact CG1-CD2 4.01Å
376	L	90.3	Very high	87.7	Confident	2 Å²	2	17.6 Å²	17.6	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-43.9	177.8	-176.1	59.4	0	0	0	113.1	K372 S374 M378 I379 A380 F385 V400 L467 D469	K372-L376 PolarHBondContact O-N 2.83Å; S374-L376 VanDerWaalsContact C-N 3.32Å; L376-M378 VanDerWaalsContact C-N 3.3Å; L376-M378 PolarHBondContact O-N 3.42Å; L376-I379 PolarHBondContact O-N 3.24Å; L376-A380 WeakPolarHBondContact O-CB 3.44Å; L376-A380 PolarHBondContact O-N 2.65Å; L376-F385 HydrophobicContact CD2-CE2 3.59Å; L376-F385 HydrophobicContact CD2-CZ 3.6Å; L376-F385 HydrophobicContact CG-CE2 3.91Å; L376-F385 HydrophobicContact CG-CZ 4.37Å; L376-V400 HydrophobicContact CD2-CG2 4.2Å; L376-L467 HydrophobicContact CD1-CB 4.04Å; L376-L467 HydrophobicContact CD1-CD1 3.93Å; L376-L467 HydrophobicContact CD1-CD2 3.99Å; L376-L467 HydrophobicContact CD1-CG 4.21Å; L376-D469 HydrophobicContact CD2-CB 3.76Å
377	E	90	Very high	86.8	Confident	2 Å²	2	22.9 Å²	22.9	1%	0.009	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-37	173.9	-76.6	-171.9	151.5	0	0	112.6	T373 Q381 A382 R383 I384 F385 R387 I583	T373-E377 WeakPolarHBondContact O-CB 3.48Å; T373-E377 WeakPolarHBondContact O-CG 3.1Å; T373-E377 PolarHBondContact O-N 2.96Å; E377-Q381 CarbonylContact O-C 3.48Å; E377-Q381 VanDerWaalsContact O-CA 3.28Å; E377-Q381 WeakPolarHBondContact O-CA 3.32Å; E377-Q381 PolarHBondContact O-N 3.39Å; E377-A382 WeakPolarHBondContact CB-O 3.31Å; E377-A382 WeakPolarHBondContact CG-O 3.4Å; E377-A382 PolarHBondContact O-N 2.82Å; E377-R383 WeakPolarHBondContact OE1-CA 3.37Å; E377-R383 VanDerWaalsContact OE2-CD 3.27Å; E377-R383 WeakPolarHBondContact OE2-CD 3.34Å; E377-R383 IonicContact OE2-CZ 2.86Å; E377-R383 IonicContact OE2-NE 3.84Å; E377-R383 IonicContact OE2-NH1 3.67Å; E377-R383 PolarHBondContact OE2-NH1 2.96Å; E377-I384 PolarHBondContact OE1-N 2.8Å; E377-F385 HydrophobicContact CG-CD2 3.89Å; E377-F385 PolarHBondContact OE1-N 2.71Å; E377-R387 IonicContact OE1-NE 2.68Å; E377-R387 IonicContact OE2-CZ 3.64Å; E377-R387 IonicContact OE2-NE 3.16Å; E377-R387 PolarHBondContact OE2-NE 3.22Å; E377-R387 IonicContact OE2-NH2 2.65Å; E377-R387 PolarHBondContact OE2-NH2 2.8Å; E377-I583 HydrophobicContact CB-CD1 4.19Å
378	M	89.8	Confident	85.5	Confident	12 Å²	12	23.8 Å²	23.8	6%	0.059	13%	0.133	C	C	.	.	H	α-helix	trans	-70	-36.4	176.1	-70.1	-68.2	-69.7	0	0	112.4	S374 V375 L376 Q381 T574 I583 I586 K587 T612	S374-M378 VanDerWaalsContact O-CG 3.26Å; S374-M378 WeakPolarHBondContact O-CG 3.3Å; S374-M378 PolarHBondContact O-N 3.03Å; S374-M378 VanDerWaalsContact O-N 3.1Å; V375-M378 PolarHBondContact O-N 2.88Å; L376-M378 VanDerWaalsContact C-N 3.3Å; L376-M378 PolarHBondContact O-N 3.42Å; M378-Q381 PolarHBondContact O-N 3.37Å; M378-T574 HydrophobicContact CG-CG2 4.21Å; M378-I583 HydrophobicContact SD-CD1 3.87Å; M378-I583 HydrophobicContact SD-CG2 4.11Å; M378-I586 HydrophobicContact CE-CB 4.18Å; M378-I586 HydrophobicContact CE-CG2 3.66Å; M378-I586 HydrophobicContact SD-CB 3.97Å; M378-I586 HydrophobicContact SD-CG2 3.66Å; M378-K587 HydrophobicContact CE-CG 3.84Å; M378-T612 HydrophobicContact CB-CG2 3.73Å
379	I	90.9	Very high	84.1	Confident	5 Å²	5	26.4 Å²	26.4	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-72.7	-42.3	176.5	-64.4	169.3	0	0	0	111.1	V375 L376 Q381 L402 M465 L467 T612	V375-I379 HydrophobicContact CG1-CD1 3.8Å; V375-I379 HydrophobicContact CG1-CG1 4.45Å; V375-I379 VanDerWaalsContact O-CG1 3.32Å; V375-I379 WeakPolarHBondContact O-CG1 3.44Å; V375-I379 PolarHBondContact O-N 2.89Å; L376-I379 PolarHBondContact O-N 3.24Å; I379-Q381 PolarHBondContact O-N 2.72Å; I379-L402 HydrophobicContact CG2-CD1 3.61Å; I379-M465 HydrophobicContact CG2-CE 4.45Å; I379-M465 HydrophobicContact CG2-SD 4.39Å; I379-L467 HydrophobicContact CD1-CD2 4.5Å; I379-T612 HydrophobicContact CG1-CG2 4.15Å
380	A	88.8	Confident	83	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-7.4	173.1	0	0	0	0	0	113.5	L376 A382 L402 H408	L376-A380 WeakPolarHBondContact O-CB 3.44Å; L376-A380 PolarHBondContact O-N 2.65Å; A380-A382 PolarHBondContact O-N 3.32Å; A380-A382 VanDerWaalsContact O-N 3.12Å; A380-L402 HydrophobicContact CB-CD2 3.87Å; A380-H408 PolarHBondContact O-NE2 3.29Å
381	Q	88.1	Confident	82.3	Confident	60 Å²	60	32.3 Å²	32.3	28%	0.28	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	17.1	-175	-53.5	-165.8	45.9	0	0	115.6	E377 M378 I379 H408 I583	E377-Q381 CarbonylContact O-C 3.48Å; E377-Q381 VanDerWaalsContact O-CA 3.28Å; E377-Q381 WeakPolarHBondContact O-CA 3.32Å; E377-Q381 PolarHBondContact O-N 3.39Å; M378-Q381 PolarHBondContact O-N 3.37Å; I379-Q381 PolarHBondContact O-N 2.72Å; Q381-H408 PolarHBondContact O-CE1 3.12Å; Q381-I583 HydrophobicContact CB-CG2 4.48Å
382	A	86.3	Confident	81.9	Confident	5 Å²	5	32.9 Å²	32.9	4%	0.041	20%	0.196	C	C	.	.	S	Bend	trans	-139	140.8	-173.7	0	0	0	0	0	112.8	E377 A380 I384 L421	E377-A382 WeakPolarHBondContact CB-O 3.31Å; E377-A382 WeakPolarHBondContact CG-O 3.4Å; E377-A382 PolarHBondContact O-N 2.82Å; A380-A382 PolarHBondContact O-N 3.32Å; A380-A382 VanDerWaalsContact O-N 3.12Å; A382-I384 HydrophobicContact CB-CG2 3.67Å; A382-I384 PolarHBondContact O-N 2.73Å; A382-I384 VanDerWaalsContact O-N 3.08Å; A382-L421 HydrophobicContact CB-CB 4.37Å; A382-L421 HydrophobicContact CB-CD1 3.95Å; A382-L421 HydrophobicContact CB-CD2 4.42Å; A382-L421 HydrophobicContact CB-CG 4.49Å
383	R	85.7	Confident	81.4	Confident	28 Å²	28	34.7 Å²	34.7	11%	0.106	21%	0.205	C	C	.	.			trans	-79.1	76.7	176	-67.1	-61	-153.7	171.2	10.5	110.9	E377 R431 E581 I583	E377-R383 WeakPolarHBondContact OE1-CA 3.37Å; E377-R383 VanDerWaalsContact OE2-CD 3.27Å; E377-R383 WeakPolarHBondContact OE2-CD 3.34Å; E377-R383 IonicContact OE2-CZ 2.86Å; E377-R383 IonicContact OE2-NE 3.84Å; E377-R383 IonicContact OE2-NH1 3.67Å; E377-R383 PolarHBondContact OE2-NH1 2.96Å; R383-R431 VanDerWaalsContact O-CZ 3.24Å; R383-R431 PolarHBondContact O-NE 3.23Å; R383-R431 PolarHBondContact O-NH2 3.28Å; R383-E581 VanDerWaalsContact CZ-O 3.29Å; R383-E581 PolarHBondContact NE-O 2.8Å; R383-E581 PolarHBondContact NH2-O 2.88Å; R383-I583 HydrophobicContact CG-CD1 4.25Å; R383-I583 HydrophobicContact CG-CG1 4.07Å
384	I	86.3	Confident	81.2	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.			trans	-105.1	-11.8	-171.2	66.5	-174.6	0	0	0	114.8	E377 A382 L421 L427 L430 R431 I434 L455 V457	E377-I384 PolarHBondContact OE1-N 2.8Å; A382-I384 HydrophobicContact CB-CG2 3.67Å; A382-I384 PolarHBondContact O-N 2.73Å; A382-I384 VanDerWaalsContact O-N 3.08Å; I384-L421 HydrophobicContact CG2-CD2 3.74Å; I384-L427 HydrophobicContact CG2-CD2 4.23Å; I384-L430 HydrophobicContact CB-CD2 3.95Å; I384-L430 HydrophobicContact CG2-CD2 3.68Å; I384-R431 WeakPolarHBondContact O-CG 3.42Å; I384-I434 WeakPolarHBondContact O-CD1 3.4Å; I384-L455 HydrophobicContact CD1-CD2 3.81Å; I384-V457 HydrophobicContact CD1-CG2 3.99Å
385	F	86.2	Confident	81.1	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.018	21%	0.211	C	C	.	.	S	Bend	trans	-102.3	152	-173.1	-69.8	-80.1	0	0	0	113.3	T373 L376 E377 V398 V400 I434	T373-F385 HydrophobicContact CG2-CB 3.37Å; T373-F385 HydrophobicContact CG2-CD1 4.07Å; T373-F385 HydrophobicContact CG2-CD2 3.6Å; T373-F385 HydrophobicContact CG2-CE2 4.41Å; T373-F385 HydrophobicContact CG2-CG 3.4Å; L376-F385 HydrophobicContact CD2-CE2 3.59Å; L376-F385 HydrophobicContact CD2-CZ 3.6Å; L376-F385 HydrophobicContact CG-CE2 3.91Å; L376-F385 HydrophobicContact CG-CZ 4.37Å; E377-F385 HydrophobicContact CG-CD2 3.89Å; E377-F385 PolarHBondContact OE1-N 2.71Å; F385-V398 HydrophobicContact CE1-CB 4.21Å; F385-V398 HydrophobicContact CE1-CG1 4.04Å; F385-V398 HydrophobicContact CE1-CG2 4.17Å; F385-V398 HydrophobicContact CZ-CG1 4.34Å; F385-V400 HydrophobicContact CZ-CG2 4Å; F385-I434 HydrophobicContact CD1-CG2 4.45Å
386	P	80.6	Confident	81.1	Confident	17 Å²	17	37.4 Å²	37.4	11%	0.11	21%	0.211	C	C	.	.			trans	-63.3	142	170.3	27.1	-33.9	0	0	0	110.9	M393 E435 M438	P386-M393 HydrophobicContact CB-SD 4.37Å; P386-E435 HydrophobicContact CB-CB 4.42Å; P386-E435 HydrophobicContact CG-CB 4.43Å; P386-M438 HydrophobicContact CG-SD 4.45Å
387	R	73	Confident	81.1	Confident	112 Å²	112	37.3 Å²	37.3	42%	0.423	21%	0.21	S	C	.	.			trans	-133.4	133.1	-176.3	-76.5	179.1	163.7	-89.1	-8.8	111.3	S374 E377 M393	S374-R387 PolarHBondContact OG-NH2 3.47Å; E377-R387 IonicContact OE1-NE 2.68Å; E377-R387 IonicContact OE2-CZ 3.64Å; E377-R387 IonicContact OE2-NE 3.16Å; E377-R387 PolarHBondContact OE2-NE 3.22Å; E377-R387 IonicContact OE2-NH2 2.65Å; E377-R387 PolarHBondContact OE2-NH2 2.8Å; R387-M393 VanDerWaalsContact C-SD 3.56Å
388	G	63.1	Low	81.2	Confident	41 Å²	41	37.3 Å²	37.3	42%	0.423	21%	0.21	S	C	.	.			trans	-157.9	144.7	171.5	0	0	0	0	0	110.3	M393	G388-M393 PolarHBondContact N-SD 2.89Å
389	S	56.9	Low	81.3	Confident	126 Å²	126	37.6 Å²	37.6	88%	0.881	21%	0.211	S	C	*	.	S	Bend	trans	-85	118.7	-178.1	52.8	0	0	0	0	111.3
390	G	61.8	Low	81.3	Confident	62 Å²	62	37.3 Å²	37.3	64%	0.639	21%	0.21	S	C	*	.	S	Bend	trans	93	-15.3	174.2	0	0	0	0	0	115.8
391	E	69.9	Low	81.5	Confident	135 Å²	135	37.5 Å²	37.5	63%	0.631	21%	0.211	S	C	*	.	S	Bend	trans	-98.7	165.9	179.4	-67.9	-172.3	179.6	0	0	113.3	Q368 M393	Q368-E391 PolarHBondContact NE2-O 2.94Å; E391-M393 HydrophobicContact CB-CE 3.62Å; E391-M393 PolarHBondContact O-N 3.4Å
392	M	76.4	Confident	81.7	Confident	23 Å²	23	34.7 Å²	34.7	11%	0.113	20%	0.198	C	C	.	.			trans	-87.8	100.1	178	-173.1	171.1	73.2	0	0	111.3	R395 T447 V448 M481 T485 I489	M392-R395 HydrophobicContact CE-CG 4.18Å; M392-R395 PolarHBondContact O-NE 3.49Å; M392-T447 HydrophobicContact CE-CG2 3.71Å; M392-V448 HydrophobicContact CE-CG1 3.59Å; M392-V448 HydrophobicContact SD-CG1 4.08Å; M392-M481 HydrophobicContact CE-CE 3.8Å; M392-M481 HydrophobicContact SD-CE 3.83Å; M392-T485 HydrophobicContact CE-CG2 4.39Å; M392-I489 HydrophobicContact SD-CD1 4.16Å
393	M	79.9	Confident	81.8	Confident	50 Å²	50	34.4 Å²	34.4	25%	0.246	20%	0.196	C	C	.	.			trans	-76.8	-65.2	179.2	-62.4	-65.8	117.6	0	0	112.6	P386 R387 G388 E391 R395	P386-M393 HydrophobicContact CB-SD 4.37Å; R387-M393 VanDerWaalsContact C-SD 3.56Å; G388-M393 PolarHBondContact N-SD 2.89Å; E391-M393 HydrophobicContact CB-CE 3.62Å; E391-M393 PolarHBondContact O-N 3.4Å; M393-R395 PolarHBondContact O-N 2.95Å; M393-R395 VanDerWaalsContact O-N 3.14Å
394	T	82.7	Confident	81.9	Confident	11 Å²	11	38.8 Å²	38.8	7%	0.067	22%	0.217	C	C	.	.			trans	-72.7	104.4	179.9	-49.8	0	0	0	0	110.5	S396 M438 D469 P471	T394-S396 WeakPolarHBondContact CG2-O 3.34Å; T394-M438 HydrophobicContact CG2-CE 4.28Å; T394-D469 PolarHBondContact OG1-OD2 2.99Å; T394-P471 HydrophobicContact CG2-CG 4.48Å; T394-P471 WeakPolarHBondContact O-CA 3.48Å; T394-P471 WeakPolarHBondContact O-CB 3.38Å
395	R	86.4	Confident	81.9	Confident	91 Å²	91	39.4 Å²	39.4	34%	0.343	22%	0.224	S	C	.	.			trans	-104.6	-16.6	179.4	-54.6	-168.8	-175.5	-175.1	2.6	114.9	M392 M393 V442 V448 S449	M392-R395 HydrophobicContact CE-CG 4.18Å; M392-R395 PolarHBondContact O-NE 3.49Å; M393-R395 PolarHBondContact O-N 2.95Å; M393-R395 VanDerWaalsContact O-N 3.14Å; R395-V442 HydrophobicContact CB-CG2 4.31Å; R395-V448 CarbonylContact O-C 3.57Å; R395-V448 VanDerWaalsContact O-CA 3.26Å; R395-V448 WeakPolarHBondContact O-CA 3.35Å; R395-V448 WeakPolarHBondContact O-CB 3.32Å; R395-S449 PolarHBondContact O-N 3.31Å
396	S	89.6	Confident	81.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-128.4	149.1	175.7	-119.3	0	0	0	0	108.3	T394 S441 E451	T394-S396 WeakPolarHBondContact CG2-O 3.34Å; S396-S441 PolarHBondContact OG-OG 2.69Å; S396-E451 WeakPolarHBondContact CB-O 3.29Å; S396-E451 PolarHBondContact OG-O 3.19Å
397	P	91.4	Very high	82.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.284	C	S	.	.			trans	-57.3	142.7	167.8	-24.3	34.1	0	0	0	111.8	S449 T452 I453 V468 D469 L470 M492 Y496	P397-S449 WeakPolarHBondContact CD-O 3.31Å; P397-T452 HydrophobicContact CB-CG2 4.16Å; P397-I453 PolarHBondContact O-N 3.07Å; P397-V468 HydrophobicContact CB-CG1 4.28Å; P397-D469 VanDerWaalsContact CA-O 3.31Å; P397-D469 WeakPolarHBondContact CA-O 3.34Å; P397-L470 HydrophobicContact CB-CD2 3.82Å; P397-L470 HydrophobicContact CG-CD2 3.99Å; P397-M492 HydrophobicContact CG-CE 3.65Å; P397-Y496 HydrophobicContact CB-CE2 4.33Å; P397-Y496 HydrophobicContact CG-CE2 4.08Å
398	V	91.6	Very high	83	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	110.2	174	-169	0	0	0	0	110.5	F385 V400 M438 I453 V468 D469	F385-V398 HydrophobicContact CE1-CB 4.21Å; F385-V398 HydrophobicContact CE1-CG1 4.04Å; F385-V398 HydrophobicContact CE1-CG2 4.17Å; F385-V398 HydrophobicContact CZ-CG1 4.34Å; V398-V400 HydrophobicContact CG1-CG2 3.96Å; V398-V400 PolarHBondContact O-N 3.26Å; V398-M438 HydrophobicContact CG2-CE 3.36Å; V398-I453 CarbonylContact C-O 3.11Å; V398-I453 WeakPolarHBondContact CA-O 3.5Å; V398-I453 HydrophobicContact CG1-CB 4.39Å; V398-I453 HydrophobicContact CG1-CG2 4.48Å; V398-I453 HydrophobicContact CG2-CB 4.39Å; V398-V468 CarbonylContact O-C 3.59Å; V398-V468 VanDerWaalsContact O-CA 3.32Å; V398-V468 WeakPolarHBondContact O-CA 3.35Å; V398-D469 PolarHBondContact N-O 2.75Å; V398-D469 PolarHBondContact O-N 3.25Å
399	K	91.4	Very high	84.4	Confident	18 Å²	18	45.8 Å²	45.8	8%	0.078	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	114.7	170.2	173.9	-176.4	166.5	-172.6	0	108.2	D344 I453 L455 V466 L467	D344-K399 IonicContact OD1-NZ 2.72Å; D344-K399 PolarHBondContact OD1-NZ 3.27Å; D344-K399 IonicContact OD2-NZ 3.77Å; D344-K399 PolarHBondContact OD2-NZ 3Å; K399-I453 PolarHBondContact N-O 2.68Å; K399-L455 PolarHBondContact O-N 3.2Å; K399-V466 HydrophobicContact CG-CG1 4.05Å; K399-L467 CarbonylContact C-O 3.45Å; K399-L467 WeakPolarHBondContact CA-O 3.46Å
400	V	92.1	Very high	86	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	108.2	175.9	-174.3	0	0	0	0	109.4	L376 F385 V398 L402 L455 V457 L467	L376-V400 HydrophobicContact CD2-CG2 4.2Å; F385-V400 HydrophobicContact CZ-CG2 4Å; V398-V400 HydrophobicContact CG1-CG2 3.96Å; V398-V400 PolarHBondContact O-N 3.26Å; V400-L402 HydrophobicContact CG1-CD2 3.59Å; V400-L402 HydrophobicContact CG1-CG 4.2Å; V400-L455 CarbonylContact C-O 3.56Å; V400-L455 WeakPolarHBondContact CA-O 3.15Å; V400-V457 HydrophobicContact CG1-CG2 4.24Å; V400-L467 PolarHBondContact N-O 3.4Å; V400-L467 PolarHBondContact O-N 3.12Å
401	T	91.8	Very high	87.4	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.025	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	105.6	171.2	-64.2	0	0	0	0	108.9	I336 S340 L455 S456 V457 V466	I336-T401 HydrophobicContact CG1-CG2 4.24Å; S340-T401 PolarHBondContact OG-OG1 2.75Å; T401-L455 PolarHBondContact N-O 3.03Å; T401-S456 WeakPolarHBondContact O-CA 3.21Å; T401-S456 PolarHBondContact O-OG 3.44Å; T401-V457 PolarHBondContact O-N 2.78Å; T401-V466 HydrophobicContact CG2-CG2 4.34Å
402	L	91.7	Very high	88.3	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	131	175.5	-61.7	-173.6	0	0	0	111.1	I336 I379 A380 V400 V457 I462 Q463 R464 M465 L467	I336-L402 WeakPolarHBondContact CG1-O 3.4Å; I379-L402 HydrophobicContact CG2-CD1 3.61Å; A380-L402 HydrophobicContact CB-CD2 3.87Å; V400-L402 HydrophobicContact CG1-CD2 3.59Å; V400-L402 HydrophobicContact CG1-CG 4.2Å; L402-V457 WeakPolarHBondContact CA-O 3.2Å; L402-V457 HydrophobicContact CD2-CB 3.85Å; L402-V457 HydrophobicContact CD2-CG1 4.32Å; L402-I462 HydrophobicContact CB-CG2 3.91Å; L402-I462 HydrophobicContact CD1-CG2 4.07Å; L402-I462 HydrophobicContact CD2-CG2 4.33Å; L402-I462 HydrophobicContact CG-CG2 4.34Å; L402-Q463 WeakPolarHBondContact CB-O 3.32Å; L402-R464 WeakPolarHBondContact O-CA 3.36Å; L402-M465 HydrophobicContact CB-CG 4.45Å; L402-M465 HydrophobicContact CD1-CG 4.17Å; L402-M465 PolarHBondContact N-O 3.42Å; L402-M465 PolarHBondContact O-N 3.33Å; L402-L467 HydrophobicContact CD1-CD1 3.44Å; L402-L467 VanDerWaalsContact CD1-CD1 3.44Å; L402-L467 HydrophobicContact CG-CD1 3.75Å
403	S	89.7	Confident	88.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.9	173.7	64.1	0	0	0	0	113.5	V457 K458 G459	S403-V457 PolarHBondContact N-O 2.76Å; S403-K458 VanDerWaalsContact O-CA 3.28Å; S403-K458 WeakPolarHBondContact O-CA 3.27Å; S403-K458 WeakPolarHBondContact OG-CD 3.35Å; S403-K458 WeakPolarHBondContact OG-CE 3.44Å; S403-K458 WeakPolarHBondContact OG-CG 3.27Å; S403-G459 PolarHBondContact O-N 2.9Å; S403-G459 VanDerWaalsContact O-N 3.08Å
404	E	86.8	Confident	88.4	Confident	119 Å²	119	40.8 Å²	40.8	56%	0.556	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.8	176.9	-174	171.3	-152.8	0	0	110	G459 R464	E404-G459 WeakPolarHBondContact CA-O 3.24Å; E404-R464 HydrophobicContact CB-CG 4.31Å
405	G	85.9	Confident	88.3	Confident	14 Å²	14	42.4 Å²	42.4	14%	0.144	22%	0.218	C	C	.	.			trans	-159.1	161.4	-178.9	0	0	0	0	0	113.6	H407 G459 P460	G405-H407 VanDerWaalsContact C-N 3.29Å; G405-H407 PolarHBondContact O-N 2.74Å; G405-G459 PolarHBondContact N-O 3.34Å; G405-G459 CarbonylContact O-C 3.52Å; G405-P460 WeakPolarHBondContact O-CA 3.41Å
406	P	84.9	Confident	87.9	Confident	116 Å²	116	41.9 Å²	41.9	75%	0.753	24%	0.241	S	C	*	.	S	Bend	trans	-74.1	-19	-177.6	31	-36.3	0	0	0	113.7
407	H	87.9	Confident	87.8	Confident	135 Å²	135	47.6 Å²	47.6	63%	0.625	26%	0.263	S	S	*	.	S	Bend	trans	-129.1	146.8	179.7	-57.3	-48.6	0	0	0	109.2	G405 V409 K458 G459	G405-H407 VanDerWaalsContact C-N 3.29Å; G405-H407 PolarHBondContact O-N 2.74Å; H407-V409 HydrophobicContact CB-CG1 4.17Å; H407-V409 PolarHBondContact O-N 3.13Å; H407-K458 CarbonylContact O-C 3.51Å; H407-G459 WeakPolarHBondContact O-CA 3.41Å
408	H	90.8	Very high	87.7	Confident	33 Å²	33	53.7 Å²	53.7	15%	0.153	29%	0.291	C	S	.	.			trans	-87.5	99.1	179.1	-158.4	180	0	0	0	108.7	A380 Q381 L421 T422 K458	A380-H408 PolarHBondContact O-NE2 3.29Å; Q381-H408 PolarHBondContact O-CE1 3.12Å; H408-L421 HydrophobicContact CB-CB 4.24Å; H408-L421 VanDerWaalsContact CD2-CD1 3.41Å; H408-L421 WeakPolarHBondContact CD2-CD1 3.41Å; H408-L421 WeakPolarHBondContact O-CB 3.33Å; H408-L421 PolarHBondContact O-N 3.21Å; H408-T422 HydrophobicContact CB-CG2 4.36Å; H408-K458 CarbonylContact C-O 3.54Å; H408-K458 VanDerWaalsContact CA-O 3.25Å; H408-K458 WeakPolarHBondContact CA-O 3.31Å; H408-K458 PolarHBondContact CD2-O 3.34Å
409	V	92.3	Very high	87.7	Confident	24 Å²	24	53.8 Å²	53.8	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.2	-172.4	-65.5	0	0	0	0	112	H407 F419 V457 K458	H407-V409 HydrophobicContact CB-CG1 4.17Å; H407-V409 PolarHBondContact O-N 3.13Å; V409-F419 CarbonylContact C-O 3.47Å; V409-F419 VanDerWaalsContact CA-O 3.26Å; V409-F419 WeakPolarHBondContact CA-O 3.44Å; V409-V457 CarbonylContact O-C 3.6Å; V409-V457 WeakPolarHBondContact O-CA 3.21Å; V409-K458 HydrophobicContact CG2-CB 3.99Å; V409-K458 HydrophobicContact CG2-CG 4.39Å; V409-K458 PolarHBondContact N-O 3.37Å; V409-K458 PolarHBondContact O-N 2.91Å
410	A	91.4	Very high	87.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.9	170.2	0	0	0	0	0	111.6	E418 F419 L421 L430 L455 S456 V457	A410-E418 CarbonylContact O-C 3.58Å; A410-E418 WeakPolarHBondContact O-CA 3.34Å; A410-F419 PolarHBondContact N-O 3.42Å; A410-F419 PolarHBondContact O-N 2.98Å; A410-L421 HydrophobicContact CB-CD1 4.13Å; A410-L421 HydrophobicContact CB-CD2 3.95Å; A410-L421 HydrophobicContact CB-CG 4.27Å; A410-L430 HydrophobicContact CB-CD1 4.38Å; A410-L430 HydrophobicContact CB-CD2 3.58Å; A410-L455 HydrophobicContact CB-CD1 4.38Å; A410-S456 CarbonylContact C-O 3.58Å; A410-S456 VanDerWaalsContact CA-O 3.3Å; A410-S456 WeakPolarHBondContact CA-O 3.33Å; A410-V457 HydrophobicContact CB-CG2 4.08Å
411	M	90.4	Very high	87.4	Confident	64 Å²	64	55.3 Å²	55.3	32%	0.315	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	138.6	178.3	-173.2	176.6	67.3	0	0	110.2	S415 E418 S456	M411-S415 WeakPolarHBondContact CG-O 3.5Å; M411-E418 HydrophobicContact SD-CG 4.19Å; M411-S456 PolarHBondContact N-O 3.35Å; M411-S456 PolarHBondContact O-N 3.44Å
412	F	90.2	Very high	87.1	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.018	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	149.2	174.6	-64.2	-90.7	0	0	0	110.9	D414 S415 F419 L430 E433 I434 R437 I453 L455	F412-D414 PolarHBondContact O-N 3.13Å; F412-D414 VanDerWaalsContact O-N 3.13Å; F412-S415 PolarHBondContact O-N 2.95Å; F412-S415 VanDerWaalsContact O-O 3.13Å; F412-F419 AromaticContact CD2-CE2 3.93Å; F412-F419 HydrophobicContact CD2-CE2 3.93Å; F412-F419 AromaticContact CE2-CE2 3.75Å; F412-F419 HydrophobicContact CE2-CE2 3.75Å; F412-F419 HydrophobicContact CE2-CZ 4.05Å; F412-L430 HydrophobicContact CE2-CD1 3.57Å; F412-L430 HydrophobicContact CZ-CD1 3.65Å; F412-E433 HydrophobicContact CE2-CB 4.41Å; F412-E433 HydrophobicContact CE2-CG 3.69Å; F412-E433 HydrophobicContact CZ-CB 4.27Å; F412-E433 HydrophobicContact CZ-CG 3.73Å; F412-I434 HydrophobicContact CE1-CG1 3.86Å; F412-I434 HydrophobicContact CZ-CG1 3.71Å; F412-R437 VanDerWaalsContact CD2-NH1 3.34Å; F412-R437 VanDerWaalsContact CE1-NH1 3.31Å; F412-R437 VanDerWaalsContact CE2-NH1 3.26Å; F412-I453 HydrophobicContact CD1-CG2 4.4Å; F412-I453 HydrophobicContact CE1-CG2 4.26Å; F412-L455 HydrophobicContact CD1-CD1 3.78Å; F412-L455 HydrophobicContact CD2-CD1 4.25Å; F412-L455 HydrophobicContact CE1-CD1 3.86Å; F412-L455 HydrophobicContact CE2-CD1 4.31Å; F412-L455 HydrophobicContact CG-CD1 4.01Å; F412-L455 HydrophobicContact CZ-CD1 4.14Å
413	K	78.9	Confident	87	Confident	93 Å²	93	65 Å²	65	40%	0.404	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-39.7	178.3	-176.4	-179.5	175.6	179.2	0	112.4	D344 D348 S454	D344-K413 WeakPolarHBondContact OD1-CD 3.28Å; D344-K413 VanDerWaalsContact OD1-CE 3.31Å; D344-K413 WeakPolarHBondContact OD1-CE 3.32Å; D344-K413 IonicContact OD1-NZ 2.71Å; D344-K413 PolarHBondContact OD1-NZ 2.95Å; D348-K413 IonicContact OD1-NZ 3.16Å; D348-K413 IonicContact OD2-NZ 2.73Å; K413-S454 PolarHBondContact N-O 3.07Å; K413-S454 VanDerWaalsContact N-O 3.13Å
414	D	78.9	Confident	86.8	Confident	130 Å²	130	71 Å²	71	70%	0.695	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	10	-170.7	-31.2	-60.9	0	0	0	113.5	F412	F412-D414 PolarHBondContact O-N 3.13Å; F412-D414 VanDerWaalsContact O-N 3.13Å
415	S	80.2	Confident	86.9	Confident	44 Å²	44	73.1 Å²	73.1	31%	0.308	39%	0.393	S	S	.	.			trans	-143.8	126	-174.3	-168.6	0	0	0	0	113	M411 F412 R417	M411-S415 WeakPolarHBondContact CG-O 3.5Å; F412-S415 PolarHBondContact O-N 2.95Å; F412-S415 VanDerWaalsContact O-O 3.13Å; S415-R417 PolarHBondContact O-N 2.82Å; S415-R417 VanDerWaalsContact O-N 3.13Å; S415-R417 PolarHBondContact OG-N 3.17Å
416	G	78.9	Confident	87	Confident	81 Å²	81	73.9 Å²	73.9	84%	0.835	39%	0.394	S	S	*	.			trans	-74.4	13.9	170.7	0	0	0	0	0	115
417	R	87.5	Confident	87.1	Confident	120 Å²	120	69.1 Å²	69.1	45%	0.453	36%	0.362	S	S	.	.			trans	-85.8	112.2	171.1	179.2	177.2	173.7	-178.2	-1.2	109.7	S415 F419 D426	S415-R417 PolarHBondContact O-N 2.82Å; S415-R417 VanDerWaalsContact O-N 3.13Å; S415-R417 PolarHBondContact OG-N 3.17Å; R417-F419 HydrophobicContact CB-CE2 4.22Å; R417-F419 HydrophobicContact CG-CD2 4.05Å; R417-F419 HydrophobicContact CG-CE2 3.77Å; R417-F419 HydrophobicContact CG-CZ 4.18Å; R417-F419 WeakPolarHBondContact O-CD2 3.47Å; R417-D426 IonicContact CZ-OD1 3.12Å; R417-D426 IonicContact NH2-OD1 3.36Å; R417-D426 PolarHBondContact NH2-OD1 2.79Å
418	E	89	Confident	87.2	Confident	127 Å²	127	65 Å²	65	59%	0.593	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	140.9	160.2	-61.2	-177	168.7	0	0	109.7	A410 M411	A410-E418 CarbonylContact O-C 3.58Å; A410-E418 WeakPolarHBondContact O-CA 3.34Å; M411-E418 HydrophobicContact SD-CG 4.19Å
419	F	90.3	Very high	87.1	Confident	4 Å²	4	65 Å²	65	2%	0.018	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.2	173.9	-67.7	-106.5	0	0	0	108.1	V409 A410 F412 R417 L421 D426 A429 L430	V409-F419 CarbonylContact C-O 3.47Å; V409-F419 VanDerWaalsContact CA-O 3.26Å; V409-F419 WeakPolarHBondContact CA-O 3.44Å; A410-F419 PolarHBondContact N-O 3.42Å; A410-F419 PolarHBondContact O-N 2.98Å; F412-F419 AromaticContact CD2-CE2 3.93Å; F412-F419 HydrophobicContact CD2-CE2 3.93Å; F412-F419 AromaticContact CE2-CE2 3.75Å; F412-F419 HydrophobicContact CE2-CE2 3.75Å; F412-F419 HydrophobicContact CE2-CZ 4.05Å; R417-F419 HydrophobicContact CB-CE2 4.22Å; R417-F419 HydrophobicContact CG-CD2 4.05Å; R417-F419 HydrophobicContact CG-CE2 3.77Å; R417-F419 HydrophobicContact CG-CZ 4.18Å; R417-F419 WeakPolarHBondContact O-CD2 3.47Å; F419-L421 PolarHBondContact O-N 3.13Å; F419-D426 HydrophobicContact CB-CB 4.34Å; F419-A429 HydrophobicContact CD1-CB 4.47Å; F419-A429 HydrophobicContact CE1-CB 4.16Å; F419-L430 HydrophobicContact CD1-CB 3.88Å; F419-L430 HydrophobicContact CD1-CD1 4.43Å; F419-L430 HydrophobicContact CD2-CD1 4.23Å; F419-L430 HydrophobicContact CE1-CB 4.29Å; F419-L430 HydrophobicContact CE2-CD1 4.44Å; F419-L430 HydrophobicContact CG-CB 4.28Å; F419-L430 HydrophobicContact CG-CD1 4.23Å
420	D	90.6	Very high	87.1	Confident	39 Å²	39	63.9 Å²	63.9	21%	0.209	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	111.7	-179.6	-171.7	-20.8	0	0	0	111.1	T422 K423 D426	D420-T422 VanDerWaalsContact CG-OG1 3.31Å; D420-T422 PolarHBondContact O-N 3.44Å; D420-T422 WeakPolarHBondContact OD1-CB 3.29Å; D420-T422 PolarHBondContact OD1-N 3.44Å; D420-T422 PolarHBondContact OD1-OG1 2.75Å; D420-T422 PolarHBondContact OD2-OG1 2.91Å; D420-K423 HydrophobicContact CB-CD 4.3Å; D420-K423 HydrophobicContact CB-CG 4.15Å; D420-K423 PolarHBondContact O-N 2.89Å; D420-K423 VanDerWaalsContact O-N 3.15Å; D420-K423 IonicContact OD2-NZ 2.88Å; D420-K423 PolarHBondContact OD2-NZ 3.28Å; D420-D426 PolarHBondContact N-OD2 3.42Å; D420-D426 WeakPolarHBondContact O-CB 3.43Å
421	L	88	Confident	87	Confident	10 Å²	10	67.1 Å²	67.1	5%	0.052	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.3	-176.4	-58.1	174.2	0	0	0	113	A382 I384 H408 A410 F419 L427 L430 V457	A382-L421 HydrophobicContact CB-CB 4.37Å; A382-L421 HydrophobicContact CB-CD1 3.95Å; A382-L421 HydrophobicContact CB-CD2 4.42Å; A382-L421 HydrophobicContact CB-CG 4.49Å; I384-L421 HydrophobicContact CG2-CD2 3.74Å; H408-L421 HydrophobicContact CB-CB 4.24Å; H408-L421 VanDerWaalsContact CD2-CD1 3.41Å; H408-L421 WeakPolarHBondContact CD2-CD1 3.41Å; H408-L421 WeakPolarHBondContact O-CB 3.33Å; H408-L421 PolarHBondContact O-N 3.21Å; A410-L421 HydrophobicContact CB-CD1 4.13Å; A410-L421 HydrophobicContact CB-CD2 3.95Å; A410-L421 HydrophobicContact CB-CG 4.27Å; F419-L421 PolarHBondContact O-N 3.13Å; L421-L427 HydrophobicContact CB-CD2 4.17Å; L421-L427 HydrophobicContact CD2-CD2 3.55Å; L421-L427 HydrophobicContact CG-CD2 4.49Å; L421-L427 WeakPolarHBondContact O-CD1 3.5Å; L421-L430 HydrophobicContact CD2-CD2 3.56Å; L421-V457 HydrophobicContact CD1-CG1 3.7Å
422	T	85.8	Confident	86.9	Confident	107 Å²	107	69.9 Å²	69.9	66%	0.656	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.5	169.9	71.7	0	0	0	0	113.1	H408 D420	H408-T422 HydrophobicContact CB-CG2 4.36Å; D420-T422 VanDerWaalsContact CG-OG1 3.31Å; D420-T422 PolarHBondContact O-N 3.44Å; D420-T422 WeakPolarHBondContact OD1-CB 3.29Å; D420-T422 PolarHBondContact OD1-N 3.44Å; D420-T422 PolarHBondContact OD1-OG1 2.75Å; D420-T422 PolarHBondContact OD2-OG1 2.91Å
423	K	88.1	Confident	86.9	Confident	101 Å²	101	72.2 Å²	72.2	44%	0.439	39%	0.385	S	S	.	.			trans	-107.8	125.3	-179.5	-58	-170.3	-173.8	88.1	0	111.4	D420 E425 D426 L427	D420-K423 HydrophobicContact CB-CD 4.3Å; D420-K423 HydrophobicContact CB-CG 4.15Å; D420-K423 PolarHBondContact O-N 2.89Å; D420-K423 VanDerWaalsContact O-N 3.15Å; D420-K423 IonicContact OD2-NZ 2.88Å; D420-K423 PolarHBondContact OD2-NZ 3.28Å; K423-E425 PolarHBondContact O-N 3.25Å; K423-D426 HydrophobicContact CB-CB 4.4Å; K423-D426 PolarHBondContact O-N 3.31Å; K423-L427 WeakPolarHBondContact O-CB 3.43Å; K423-L427 WeakPolarHBondContact O-CG 3.03Å; K423-L427 PolarHBondContact O-N 2.84Å
424	D	85.8	Confident	87.5	Confident	125 Å²	125	67.8 Å²	67.8	67%	0.668	37%	0.366	S	S	*	.	H	α-helix	trans	-60.6	-29.4	177.1	-81	-51	0	0	0	113.7	A428	D424-A428 VanDerWaalsContact O-CB 3.24Å; D424-A428 WeakPolarHBondContact O-CB 3.23Å; D424-A428 PolarHBondContact O-N 2.99Å
425	E	89.1	Confident	88	Confident	165 Å²	165	64.7 Å²	64.7	77%	0.771	35%	0.347	S	S	*	.	H	α-helix	trans	-66.3	-49.5	176.2	-63.5	-177.6	172.6	0	0	112.4	K423 A428 A429	K423-E425 PolarHBondContact O-N 3.25Å; E425-A428 PolarHBondContact O-N 3.25Å; E425-A429 WeakPolarHBondContact O-CB 3.16Å; E425-A429 PolarHBondContact O-N 3.43Å
426	D	88.6	Confident	88.4	Confident	30 Å²	30	66.8 Å²	66.8	16%	0.16	36%	0.355	C	S	.	.	H	α-helix	trans	-69.9	-35.7	176.9	-95.7	-36	0	0	0	111.2	R417 F419 D420 K423 A429 L430	R417-D426 IonicContact CZ-OD1 3.12Å; R417-D426 IonicContact NH2-OD1 3.36Å; R417-D426 PolarHBondContact NH2-OD1 2.79Å; F419-D426 HydrophobicContact CB-CB 4.34Å; D420-D426 PolarHBondContact N-OD2 3.42Å; D420-D426 WeakPolarHBondContact O-CB 3.43Å; K423-D426 HydrophobicContact CB-CB 4.4Å; K423-D426 PolarHBondContact O-N 3.31Å; D426-A429 PolarHBondContact O-N 3.16Å; D426-L430 WeakPolarHBondContact O-CB 3.35Å; D426-L430 PolarHBondContact O-N 3.07Å
427	L	87.3	Confident	89	Confident	15 Å²	15	66.1 Å²	66.1	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-60.1	-43.9	170.6	-78.6	173	0	0	0	112.3	I384 L421 K423 L430 R431	I384-L427 HydrophobicContact CG2-CD2 4.23Å; L421-L427 HydrophobicContact CB-CD2 4.17Å; L421-L427 HydrophobicContact CD2-CD2 3.55Å; L421-L427 HydrophobicContact CG-CD2 4.49Å; L421-L427 WeakPolarHBondContact O-CD1 3.5Å; K423-L427 WeakPolarHBondContact O-CB 3.43Å; K423-L427 WeakPolarHBondContact O-CG 3.03Å; K423-L427 PolarHBondContact O-N 2.84Å; L427-L430 PolarHBondContact O-N 3.49Å; L427-R431 VanDerWaalsContact O-CG 3.28Å; L427-R431 WeakPolarHBondContact O-CG 3.41Å; L427-R431 PolarHBondContact O-N 3.22Å
428	A	88.5	Confident	89	Confident	48 Å²	48	60.6 Å²	60.6	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-67.3	-43	177	0	0	0	0	0	111.7	D424 E425 L430 R431 H432	D424-A428 VanDerWaalsContact O-CB 3.24Å; D424-A428 WeakPolarHBondContact O-CB 3.23Å; D424-A428 PolarHBondContact O-N 2.99Å; E425-A428 PolarHBondContact O-N 3.25Å; A428-L430 VanDerWaalsContact C-N 3.34Å; A428-L430 PolarHBondContact O-N 3.43Å; A428-R431 PolarHBondContact O-N 3.47Å; A428-H432 PolarHBondContact O-N 3.05Å; A428-H432 VanDerWaalsContact O-N 3.09Å
429	A	90.3	Very high	88.9	Confident	34 Å²	34	62.1 Å²	62.1	28%	0.281	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-42.2	174.7	0	0	0	0	0	111.8	F419 E425 D426 H432 E433	F419-A429 HydrophobicContact CD1-CB 4.47Å; F419-A429 HydrophobicContact CE1-CB 4.16Å; E425-A429 WeakPolarHBondContact O-CB 3.16Å; E425-A429 PolarHBondContact O-N 3.43Å; D426-A429 PolarHBondContact O-N 3.16Å; A429-H432 PolarHBondContact O-N 3.49Å; A429-E433 WeakPolarHBondContact O-CB 3.36Å; A429-E433 PolarHBondContact O-N 2.86Å
430	L	91.1	Very high	88.9	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-45	177.7	179.5	62.9	0	0	0	112.2	I384 A410 F412 F419 L421 D426 L427 A428 H432 E433 I434 L455	I384-L430 HydrophobicContact CB-CD2 3.95Å; I384-L430 HydrophobicContact CG2-CD2 3.68Å; A410-L430 HydrophobicContact CB-CD1 4.38Å; A410-L430 HydrophobicContact CB-CD2 3.58Å; F412-L430 HydrophobicContact CE2-CD1 3.57Å; F412-L430 HydrophobicContact CZ-CD1 3.65Å; F419-L430 HydrophobicContact CD1-CB 3.88Å; F419-L430 HydrophobicContact CD1-CD1 4.43Å; F419-L430 HydrophobicContact CD2-CD1 4.23Å; F419-L430 HydrophobicContact CE1-CB 4.29Å; F419-L430 HydrophobicContact CE2-CD1 4.44Å; F419-L430 HydrophobicContact CG-CB 4.28Å; F419-L430 HydrophobicContact CG-CD1 4.23Å; L421-L430 HydrophobicContact CD2-CD2 3.56Å; D426-L430 WeakPolarHBondContact O-CB 3.35Å; D426-L430 PolarHBondContact O-N 3.07Å; L427-L430 PolarHBondContact O-N 3.49Å; A428-L430 VanDerWaalsContact C-N 3.34Å; A428-L430 PolarHBondContact O-N 3.43Å; L430-H432 PolarHBondContact O-N 3.31Å; L430-E433 PolarHBondContact O-N 2.78Å; L430-I434 HydrophobicContact CD1-CD1 4.04Å; L430-I434 HydrophobicContact CD1-CG1 4.31Å; L430-I434 HydrophobicContact CG-CD1 4.01Å; L430-I434 WeakPolarHBondContact O-CB 3.36Å; L430-I434 WeakPolarHBondContact O-CG1 3.39Å; L430-I434 PolarHBondContact O-N 3.14Å; L430-L455 HydrophobicContact CD1-CD1 4.22Å
431	R	88.8	Confident	88.8	Confident	69 Å²	69	69 Å²	69	26%	0.26	34%	0.336	S	S	.	.	H	α-helix	trans	-57.9	-49.2	175.1	-70	165	-160.5	135.2	5.8	111.4	R383 I384 L427 A428 E433 I434 E435	R383-R431 VanDerWaalsContact O-CZ 3.24Å; R383-R431 PolarHBondContact O-NE 3.23Å; R383-R431 PolarHBondContact O-NH2 3.28Å; I384-R431 WeakPolarHBondContact O-CG 3.42Å; L427-R431 VanDerWaalsContact O-CG 3.28Å; L427-R431 WeakPolarHBondContact O-CG 3.41Å; L427-R431 PolarHBondContact O-N 3.22Å; A428-R431 PolarHBondContact O-N 3.47Å; R431-E433 VanDerWaalsContact C-N 3.33Å; R431-E433 PolarHBondContact O-N 3.32Å; R431-I434 PolarHBondContact O-N 2.85Å; R431-E435 PolarHBondContact O-N 3.22Å
432	H	89.4	Confident	88.8	Confident	122 Å²	122	69.9 Å²	69.9	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-61.6	-41.7	178.8	-179.8	-74.5	0	0	0	111.5	A428 A429 L430 E435 L436	A428-H432 PolarHBondContact O-N 3.05Å; A428-H432 VanDerWaalsContact O-N 3.09Å; A429-H432 PolarHBondContact O-N 3.49Å; L430-H432 PolarHBondContact O-N 3.31Å; H432-E435 PolarHBondContact O-N 3.36Å; H432-L436 VanDerWaalsContact O-CB 3.29Å; H432-L436 WeakPolarHBondContact O-CB 3.3Å; H432-L436 PolarHBondContact O-N 2.81Å
433	E	90.6	Very high	88.9	Confident	52 Å²	52	71.8 Å²	71.8	24%	0.243	34%	0.34	C	S	.	.	H	α-helix	trans	-68.8	-38	179.2	-177.6	71.1	174	0	0	112.5	F412 A429 L430 R431 L436 R437	F412-E433 HydrophobicContact CE2-CB 4.41Å; F412-E433 HydrophobicContact CE2-CG 3.69Å; F412-E433 HydrophobicContact CZ-CB 4.27Å; F412-E433 HydrophobicContact CZ-CG 3.73Å; A429-E433 WeakPolarHBondContact O-CB 3.36Å; A429-E433 PolarHBondContact O-N 2.86Å; L430-E433 PolarHBondContact O-N 2.78Å; R431-E433 VanDerWaalsContact C-N 3.33Å; R431-E433 PolarHBondContact O-N 3.32Å; E433-L436 PolarHBondContact O-N 3.11Å; E433-R437 PolarHBondContact O-N 3.38Å; E433-R437 IonicContact OE1-CZ 3.79Å; E433-R437 IonicContact OE1-NH1 2.71Å; E433-R437 PolarHBondContact OE1-NH1 3.33Å; E433-R437 IonicContact OE1-NH2 2.66Å; E433-R437 PolarHBondContact OE1-NH2 2.92Å
434	I	90.1	Very high	88.5	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.005	36%	0.364	C	S	.	.	H	α-helix	trans	-62.5	-46.8	170.9	-72.3	169.7	0	0	0	110.2	I384 F385 F412 L430 R431 L436 R437 M438 L455	I384-I434 WeakPolarHBondContact O-CD1 3.4Å; F385-I434 HydrophobicContact CD1-CG2 4.45Å; F412-I434 HydrophobicContact CE1-CG1 3.86Å; F412-I434 HydrophobicContact CZ-CG1 3.71Å; L430-I434 HydrophobicContact CD1-CD1 4.04Å; L430-I434 HydrophobicContact CD1-CG1 4.31Å; L430-I434 HydrophobicContact CG-CD1 4.01Å; L430-I434 WeakPolarHBondContact O-CB 3.36Å; L430-I434 WeakPolarHBondContact O-CG1 3.39Å; L430-I434 PolarHBondContact O-N 3.14Å; R431-I434 PolarHBondContact O-N 2.85Å; I434-L436 PolarHBondContact O-N 2.93Å; I434-R437 PolarHBondContact O-N 2.93Å; I434-M438 HydrophobicContact CG2-CE 3.92Å; I434-M438 HydrophobicContact CG2-SD 4.39Å; I434-M438 WeakPolarHBondContact O-CG 3.5Å; I434-M438 PolarHBondContact O-N 3.41Å; I434-L455 HydrophobicContact CD1-CD2 4.18Å
435	E	89.3	Confident	88.3	Confident	65 Å²	65	74 Å²	74	30%	0.304	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-40.9	178.1	-168.9	-177.7	172.5	0	0	112	P386 R431 H432 R437 M438 R439	P386-E435 HydrophobicContact CB-CB 4.42Å; P386-E435 HydrophobicContact CG-CB 4.43Å; R431-E435 PolarHBondContact O-N 3.22Å; H432-E435 PolarHBondContact O-N 3.36Å; E435-R437 PolarHBondContact O-N 3.4Å; E435-M438 PolarHBondContact O-N 2.91Å; E435-R439 HydrophobicContact CG-CG 4.46Å; E435-R439 WeakPolarHBondContact O-CB 3.41Å; E435-R439 VanDerWaalsContact O-CG 3.29Å; E435-R439 WeakPolarHBondContact O-CG 3.26Å; E435-R439 PolarHBondContact O-N 3.5Å; E435-R439 IonicContact OE1-CZ 2.89Å; E435-R439 IonicContact OE1-NE 3.98Å; E435-R439 PolarHBondContact OE1-NE 2.94Å; E435-R439 IonicContact OE1-NH2 2.63Å; E435-R439 PolarHBondContact OE1-NH2 3.11Å
436	L	90.1	Very high	88.2	Confident	88 Å²	88	69.7 Å²	69.7	46%	0.461	35%	0.348	S	S	.	.	H	α-helix	trans	-61.6	-42.8	176.1	-176.3	62.7	0	0	0	111.5	H432 E433 I434 R439 K440	H432-L436 VanDerWaalsContact O-CB 3.29Å; H432-L436 WeakPolarHBondContact O-CB 3.3Å; H432-L436 PolarHBondContact O-N 2.81Å; E433-L436 PolarHBondContact O-N 3.11Å; I434-L436 PolarHBondContact O-N 2.93Å; L436-R439 PolarHBondContact O-N 3Å; L436-K440 WeakPolarHBondContact O-CB 3.42Å; L436-K440 PolarHBondContact O-N 2.62Å
437	R	90.1	Very high	88.1	Confident	66 Å²	66	69.1 Å²	69.1	25%	0.249	35%	0.346	C	S	.	.	H	α-helix	trans	-64.4	-44.1	172.9	-75.1	-168.6	174	80.3	28.5	112.1	F412 E433 I434 E435 R439 K440 S441 I453	F412-R437 VanDerWaalsContact CD2-NH1 3.34Å; F412-R437 VanDerWaalsContact CE1-NH1 3.31Å; F412-R437 VanDerWaalsContact CE2-NH1 3.26Å; E433-R437 PolarHBondContact O-N 3.38Å; E433-R437 IonicContact OE1-CZ 3.79Å; E433-R437 IonicContact OE1-NH1 2.71Å; E433-R437 PolarHBondContact OE1-NH1 3.33Å; E433-R437 IonicContact OE1-NH2 2.66Å; E433-R437 PolarHBondContact OE1-NH2 2.92Å; I434-R437 PolarHBondContact O-N 2.93Å; E435-R437 PolarHBondContact O-N 3.4Å; R437-R439 VanDerWaalsContact C-N 3.29Å; R437-R439 PolarHBondContact O-N 3.22Å; R437-K440 PolarHBondContact O-N 3.08Å; R437-K440 VanDerWaalsContact O-N 3.16Å; R437-S441 PolarHBondContact O-N 3.22Å; R437-S441 PolarHBondContact O-OG 3.09Å; R437-I453 HydrophobicContact CB-CD1 3.82Å; R437-I453 HydrophobicContact CB-CG1 4.32Å
438	M	88.8	Confident	88.2	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.02	34%	0.343	C	S	.	.	H	α-helix	trans	-62.5	-31.9	175.7	-74.4	-173.7	177.6	0	0	113.5	P386 T394 V398 I434 E435 S441 V442 I453	P386-M438 HydrophobicContact CG-SD 4.45Å; T394-M438 HydrophobicContact CG2-CE 4.28Å; V398-M438 HydrophobicContact CG2-CE 3.36Å; I434-M438 HydrophobicContact CG2-CE 3.92Å; I434-M438 HydrophobicContact CG2-SD 4.39Å; I434-M438 WeakPolarHBondContact O-CG 3.5Å; I434-M438 PolarHBondContact O-N 3.41Å; E435-M438 PolarHBondContact O-N 2.91Å; M438-S441 PolarHBondContact O-OG 2.66Å; M438-V442 WeakPolarHBondContact O-CG2 3.25Å; M438-I453 HydrophobicContact CB-CD1 4.23Å; M438-I453 HydrophobicContact CG-CD1 3.43Å; M438-I453 VanDerWaalsContact CG-CD1 3.43Å
439	R	87.1	Confident	88.2	Confident	159 Å²	159	66.7 Å²	66.7	60%	0.6	33%	0.327	S	S	*	.	H	α-helix	trans	-75.3	-36.6	174.1	-71.8	170	176.7	-135.9	7.1	111.3	E435 L436 R437	E435-R439 HydrophobicContact CG-CG 4.46Å; E435-R439 WeakPolarHBondContact O-CB 3.41Å; E435-R439 VanDerWaalsContact O-CG 3.29Å; E435-R439 WeakPolarHBondContact O-CG 3.26Å; E435-R439 PolarHBondContact O-N 3.5Å; E435-R439 IonicContact OE1-CZ 2.89Å; E435-R439 IonicContact OE1-NE 3.98Å; E435-R439 PolarHBondContact OE1-NE 2.94Å; E435-R439 IonicContact OE1-NH2 2.63Å; E435-R439 PolarHBondContact OE1-NH2 3.11Å; L436-R439 PolarHBondContact O-N 3Å; R437-R439 VanDerWaalsContact C-N 3.29Å; R437-R439 PolarHBondContact O-N 3.22Å
440	K	89.6	Confident	88	Confident	181 Å²	181	69.2 Å²	69.2	79%	0.787	34%	0.343	S	S	*	.	H	α-helix	trans	-74	-31.4	-179.1	-171.4	-177.2	176.1	-169.1	0	113.7	L436 R437 V442	L436-K440 WeakPolarHBondContact O-CB 3.42Å; L436-K440 PolarHBondContact O-N 2.62Å; R437-K440 PolarHBondContact O-N 3.08Å; R437-K440 VanDerWaalsContact O-N 3.16Å; K440-V442 VanDerWaalsContact C-N 3.28Å; K440-V442 PolarHBondContact O-N 2.64Å
441	S	87.8	Confident	87.8	Confident	7 Å²	7	74.8 Å²	74.8	5%	0.049	37%	0.369	C	S	.	.	S	Bend	trans	-73.5	-17.1	179.7	62.9	0	0	0	0	114.1	S396 R437 M438 S449 E451	S396-S441 PolarHBondContact OG-OG 2.69Å; R437-S441 PolarHBondContact O-N 3.22Å; R437-S441 PolarHBondContact O-OG 3.09Å; M438-S441 PolarHBondContact O-OG 2.66Å; S441-S449 WeakPolarHBondContact O-CB 3.45Å; S441-S449 PolarHBondContact O-OG 2.71Å; S441-E451 WeakPolarHBondContact CA-OE2 3.47Å; S441-E451 WeakPolarHBondContact CB-OE2 2.79Å
442	V	87.8	Confident	87.8	Confident	29 Å²	29	74.6 Å²	74.6	18%	0.176	38%	0.375	C	S	.	.	S	Bend	trans	-85.4	120.4	179.8	178.9	0	0	0	0	110.1	R395 M438 K440 Q446	R395-V442 HydrophobicContact CB-CG2 4.31Å; M438-V442 WeakPolarHBondContact O-CG2 3.25Å; K440-V442 VanDerWaalsContact C-N 3.28Å; K440-V442 PolarHBondContact O-N 2.64Å; V442-Q446 HydrophobicContact CG1-CB 4.27Å; V442-Q446 VanDerWaalsContact CG1-O 3.25Å; V442-Q446 WeakPolarHBondContact CG1-O 3.5Å
443	K	87.8	Confident	87.9	Confident	146 Å²	146	69.4 Å²	69.4	64%	0.635	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-71.7	153	177.9	-64.6	172	-177.1	171.1	0	111.3	G445 Q446	K443-G445 PolarHBondContact O-N 3.48Å; K443-Q446 HydrophobicContact CB-CG 4.48Å; K443-Q446 PolarHBondContact O-N 3.36Å
444	E	81.4	Confident	87.9	Confident	199 Å²	199	67.7 Å²	67.7	93%	0.93	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	133.7	174.6	-64.5	-171.1	164	0	0	111.4	Q446	E444-Q446 VanDerWaalsContact C-N 3.28Å; E444-Q446 PolarHBondContact O-N 3.04Å
445	G	81.2	Confident	87.9	Confident	74 Å²	74	67.9 Å²	67.9	76%	0.763	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-10.7	-176.2	0	0	0	0	0	115.8	K443 A482	K443-G445 PolarHBondContact O-N 3.48Å; G445-A482 WeakPolarHBondContact O-CB 3.1Å
446	Q	86	Confident	88	Confident	75 Å²	75	65.7 Å²	65.7	35%	0.35	34%	0.338	S	S	.	.			trans	-99.8	166.7	173.3	-56.9	-162.7	-79.8	0	0	111.6	V442 K443 E444	V442-Q446 HydrophobicContact CG1-CB 4.27Å; V442-Q446 VanDerWaalsContact CG1-O 3.25Å; V442-Q446 WeakPolarHBondContact CG1-O 3.5Å; K443-Q446 HydrophobicContact CB-CG 4.48Å; K443-Q446 PolarHBondContact O-N 3.36Å; E444-Q446 VanDerWaalsContact C-N 3.28Å; E444-Q446 PolarHBondContact O-N 3.04Å
447	T	86.4	Confident	88.1	Confident	18 Å²	18	61.5 Å²	61.5	11%	0.11	32%	0.316	C	S	.	.	S	Bend	trans	-122.9	-15.4	178.8	-42.9	0	0	0	0	113.5	M392 M481 A482	M392-T447 HydrophobicContact CE-CG2 3.71Å; T447-M481 HydrophobicContact CG2-CB 4.3Å; T447-M481 HydrophobicContact CG2-CG 4.19Å; T447-A482 PolarHBondContact OG1-N 3.19Å
448	V	89.4	Confident	88.1	Confident	2 Å²	2	61 Å²	61	1%	0.012	32%	0.316	C	S	.	.			trans	-132.6	160	172.7	-67.1	0	0	0	0	109.5	M392 R395 T485 T488 I489 M492	M392-V448 HydrophobicContact CE-CG1 3.59Å; M392-V448 HydrophobicContact SD-CG1 4.08Å; R395-V448 CarbonylContact O-C 3.57Å; R395-V448 VanDerWaalsContact O-CA 3.26Å; R395-V448 WeakPolarHBondContact O-CA 3.35Å; R395-V448 WeakPolarHBondContact O-CB 3.32Å; V448-T485 HydrophobicContact CG1-CG2 3.88Å; V448-T485 HydrophobicContact CG2-CG2 4.1Å; V448-T488 HydrophobicContact CG2-CG2 3.64Å; V448-I489 HydrophobicContact CG1-CD1 4.09Å; V448-I489 HydrophobicContact CG1-CG1 4.02Å; V448-I489 HydrophobicContact CG2-CG1 4.26Å; V448-M492 HydrophobicContact CG2-SD 4.44Å
449	S	89.6	Confident	88.1	Confident	9 Å²	9	60.9 Å²	60.9	6%	0.063	32%	0.315	C	S	.	.			trans	-130.2	147.4	176.3	-173.4	0	0	0	0	111.3	R395 P397 S441 E451 M492	R395-S449 PolarHBondContact O-N 3.31Å; P397-S449 WeakPolarHBondContact CD-O 3.31Å; S441-S449 WeakPolarHBondContact O-CB 3.45Å; S441-S449 PolarHBondContact O-OG 2.71Å; S449-E451 VanDerWaalsContact C-N 3.3Å; S449-E451 PolarHBondContact OG-N 3.42Å; S449-M492 WeakPolarHBondContact O-CE 3.45Å
450	S	86.1	Confident	88.2	Confident	88 Å²	88	57 Å²	57	62%	0.615	31%	0.311	S	S	*	.			trans	-82.4	-6.2	172.8	59.1	0	0	0	0	113.3
451	E	87.6	Confident	87.9	Confident	117 Å²	117	50.7 Å²	50.7	55%	0.547	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-70.6	128.7	-179.6	-173.4	-178.4	175.4	0	0	111.3	S396 S441 S449	S396-E451 WeakPolarHBondContact CB-O 3.29Å; S396-E451 PolarHBondContact OG-O 3.19Å; S441-E451 WeakPolarHBondContact CA-OE2 3.47Å; S441-E451 WeakPolarHBondContact CB-OE2 2.79Å; S449-E451 VanDerWaalsContact C-N 3.3Å; S449-E451 PolarHBondContact OG-N 3.42Å
452	T	88.5	Confident	88	Confident	65 Å²	65	50.6 Å²	50.6	40%	0.399	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-89.8	119.9	-174.6	57.6	0	0	0	0	112.6	P397 Y496	P397-T452 HydrophobicContact CB-CG2 4.16Å; T452-Y496 WeakPolarHBondContact CG2-OH 3.45Å
453	I	90.5	Very high	88	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.5	169.1	-59.2	171.7	0	0	0	108.2	P397 V398 K399 F412 R437 M438	P397-I453 PolarHBondContact O-N 3.07Å; V398-I453 CarbonylContact C-O 3.11Å; V398-I453 WeakPolarHBondContact CA-O 3.5Å; V398-I453 HydrophobicContact CG1-CB 4.39Å; V398-I453 HydrophobicContact CG1-CG2 4.48Å; V398-I453 HydrophobicContact CG2-CB 4.39Å; K399-I453 PolarHBondContact N-O 2.68Å; F412-I453 HydrophobicContact CD1-CG2 4.4Å; F412-I453 HydrophobicContact CE1-CG2 4.26Å; R437-I453 HydrophobicContact CB-CD1 3.82Å; R437-I453 HydrophobicContact CB-CG1 4.32Å; M438-I453 HydrophobicContact CB-CD1 4.23Å; M438-I453 HydrophobicContact CG-CD1 3.43Å; M438-I453 VanDerWaalsContact CG-CD1 3.43Å
454	S	90.3	Very high	88.1	Confident	16 Å²	16	47.5 Å²	47.5	11%	0.112	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120	-178.9	-66.8	0	0	0	0	112.2	K413	K413-S454 PolarHBondContact N-O 3.07Å; K413-S454 VanDerWaalsContact N-O 3.13Å
455	L	91.3	Very high	88.6	Confident	4 Å²	4	38 Å²	38	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.6	-178.1	-170	75.3	0	0	0	110.1	I384 K399 V400 T401 A410 F412 L430 I434 V457	I384-L455 HydrophobicContact CD1-CD2 3.81Å; K399-L455 PolarHBondContact O-N 3.2Å; V400-L455 CarbonylContact C-O 3.56Å; V400-L455 WeakPolarHBondContact CA-O 3.15Å; T401-L455 PolarHBondContact N-O 3.03Å; A410-L455 HydrophobicContact CB-CD1 4.38Å; F412-L455 HydrophobicContact CD1-CD1 3.78Å; F412-L455 HydrophobicContact CD2-CD1 4.25Å; F412-L455 HydrophobicContact CE1-CD1 3.86Å; F412-L455 HydrophobicContact CE2-CD1 4.31Å; F412-L455 HydrophobicContact CG-CD1 4.01Å; F412-L455 HydrophobicContact CZ-CD1 4.14Å; L430-L455 HydrophobicContact CD1-CD1 4.22Å; I434-L455 HydrophobicContact CD1-CD2 4.18Å; L455-V457 HydrophobicContact CD2-CG2 3.88Å; L455-V457 HydrophobicContact CG-CG2 4.24Å
456	S	90.6	Very high	89.1	Confident	20 Å²	20	34.5 Å²	34.5	14%	0.14	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.7	163.6	-174	0	0	0	0	109.5	T401 A410 M411	T401-S456 WeakPolarHBondContact O-CA 3.21Å; T401-S456 PolarHBondContact O-OG 3.44Å; A410-S456 CarbonylContact C-O 3.58Å; A410-S456 VanDerWaalsContact CA-O 3.3Å; A410-S456 WeakPolarHBondContact CA-O 3.33Å; M411-S456 PolarHBondContact N-O 3.35Å; M411-S456 PolarHBondContact O-N 3.44Å
457	V	91.8	Very high	89.4	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.3	170.9	176.2	0	0	0	0	108.2	I384 V400 T401 L402 S403 V409 A410 L421 L455 I462	I384-V457 HydrophobicContact CD1-CG2 3.99Å; V400-V457 HydrophobicContact CG1-CG2 4.24Å; T401-V457 PolarHBondContact O-N 2.78Å; L402-V457 WeakPolarHBondContact CA-O 3.2Å; L402-V457 HydrophobicContact CD2-CB 3.85Å; L402-V457 HydrophobicContact CD2-CG1 4.32Å; S403-V457 PolarHBondContact N-O 2.76Å; V409-V457 CarbonylContact O-C 3.6Å; V409-V457 WeakPolarHBondContact O-CA 3.21Å; A410-V457 HydrophobicContact CB-CG2 4.08Å; L421-V457 HydrophobicContact CD1-CG1 3.7Å; L455-V457 HydrophobicContact CD2-CG2 3.88Å; L455-V457 HydrophobicContact CG-CG2 4.24Å; V457-I462 HydrophobicContact CG1-CD1 4.4Å
458	K	90.6	Very high	89.6	Confident	56 Å²	56	30.3 Å²	30.3	24%	0.243	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	144.3	179.2	-45.6	-151.2	169.3	-158.3	0	109.2	D337 S403 H407 H408 V409	D337-K458 WeakPolarHBondContact OD1-CE 3.41Å; D337-K458 IonicContact OD1-NZ 2.75Å; D337-K458 PolarHBondContact OD1-NZ 3.09Å; D337-K458 IonicContact OD2-NZ 2.78Å; D337-K458 PolarHBondContact OD2-NZ 3.12Å; D337-K458 VanDerWaalsContact OD2-NZ 3.09Å; S403-K458 VanDerWaalsContact O-CA 3.28Å; S403-K458 WeakPolarHBondContact O-CA 3.27Å; S403-K458 WeakPolarHBondContact OG-CD 3.35Å; S403-K458 WeakPolarHBondContact OG-CE 3.44Å; S403-K458 WeakPolarHBondContact OG-CG 3.27Å; H407-K458 CarbonylContact O-C 3.51Å; H408-K458 CarbonylContact C-O 3.54Å; H408-K458 VanDerWaalsContact CA-O 3.25Å; H408-K458 WeakPolarHBondContact CA-O 3.31Å; H408-K458 PolarHBondContact CD2-O 3.34Å; V409-K458 HydrophobicContact CG2-CB 3.99Å; V409-K458 HydrophobicContact CG2-CG 4.39Å; V409-K458 PolarHBondContact N-O 3.37Å; V409-K458 PolarHBondContact O-N 2.91Å
459	G	89.3	Confident	89.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	166.8	174.8	0	0	0	0	0	115.2	S403 E404 G405 H407 G461 I462	S403-G459 PolarHBondContact O-N 2.9Å; S403-G459 VanDerWaalsContact O-N 3.08Å; E404-G459 WeakPolarHBondContact CA-O 3.24Å; G405-G459 PolarHBondContact N-O 3.34Å; G405-G459 CarbonylContact O-C 3.52Å; H407-G459 WeakPolarHBondContact O-CA 3.41Å; G459-G461 PolarHBondContact O-N 2.87Å; G459-I462 PolarHBondContact O-N 2.99Å
460	P	88.4	Confident	89.9	Confident	79 Å²	79	29.8 Å²	29.8	51%	0.513	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	127.9	-175.5	27.5	-34.1	0	0	0	111	G405 I462	G405-P460 WeakPolarHBondContact O-CA 3.41Å; P460-I462 PolarHBondContact O-N 2.99Å
461	G	83.7	Confident	90.1	Very high	48 Å²	48	25.8 Å²	25.8	50%	0.495	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	11.9	179.3	0	0	0	0	0	115.5	G459	G459-G461 PolarHBondContact O-N 2.87Å
462	I	89.2	Confident	90.1	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	13%	0.125	C	C	.	.			trans	-75.9	133.8	174	-60.8	-175	0	0	0	109.7	L402 V457 G459 P460	L402-I462 HydrophobicContact CB-CG2 3.91Å; L402-I462 HydrophobicContact CD1-CG2 4.07Å; L402-I462 HydrophobicContact CD2-CG2 4.33Å; L402-I462 HydrophobicContact CG-CG2 4.34Å; V457-I462 HydrophobicContact CG1-CD1 4.4Å; G459-I462 PolarHBondContact O-N 2.99Å; P460-I462 PolarHBondContact O-N 2.99Å
463	Q	88.9	Confident	90.1	Very high	57 Å²	57	17.8 Å²	17.8	27%	0.266	11%	0.107	S	C	.	.			trans	-71.4	130.9	179.6	-70.2	-58.5	-45.8	0	0	111.7	L402 M465 S616 L617 S620	L402-Q463 WeakPolarHBondContact CB-O 3.32Å; Q463-M465 HydrophobicContact CB-CE 3.7Å; Q463-M465 PolarHBondContact O-N 3.46Å; Q463-S616 WeakPolarHBondContact CG-OG 3.37Å; Q463-L617 HydrophobicContact CG-CD2 4.47Å; Q463-S620 PolarHBondContact OE1-OG 3.41Å
464	R	90.4	Very high	90.1	Very high	53 Å²	53	17.3 Å²	17.3	20%	0.2	11%	0.105	C	C	.	.			trans	-77.8	101.3	-172.3	-54	-178.4	-55	177.1	10	110.3	I336 L402 E404 W624 E1030	I336-R464 HydrophobicContact CB-CB 4.13Å; I336-R464 HydrophobicContact CG1-CB 4.39Å; I336-R464 HydrophobicContact CG2-CB 3.99Å; I336-R464 HydrophobicContact CG2-CG 4.31Å; L402-R464 WeakPolarHBondContact O-CA 3.36Å; E404-R464 HydrophobicContact CB-CG 4.31Å; R464-W624 HydrophobicContact CB-CZ2 4.07Å; R464-W624 PolarHBondContact O-NE1 2.78Å; R464-E1030 IonicContact CZ-OE1 2.88Å; R464-E1030 IonicContact CZ-OE2 3.4Å; R464-E1030 IonicContact NH1-OE1 3.23Å; R464-E1030 PolarHBondContact NH1-OE1 3.17Å; R464-E1030 IonicContact NH1-OE2 3.72Å; R464-E1030 VanDerWaalsContact NH2-CD 3.34Å; R464-E1030 IonicContact NH2-OE1 3.92Å; R464-E1030 PolarHBondContact NH2-OE1 2.84Å; R464-E1030 IonicContact NH2-OE2 2.65Å; R464-E1030 PolarHBondContact NH2-OE2 3.3Å
465	M	90.6	Very high	89.7	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	163	-179.3	65.3	177.6	81.2	0	0	112.6	I379 L402 Q463 L467 S616 V619 F623	I379-M465 HydrophobicContact CG2-CE 4.45Å; I379-M465 HydrophobicContact CG2-SD 4.39Å; L402-M465 HydrophobicContact CB-CG 4.45Å; L402-M465 HydrophobicContact CD1-CG 4.17Å; L402-M465 PolarHBondContact N-O 3.42Å; L402-M465 PolarHBondContact O-N 3.33Å; Q463-M465 HydrophobicContact CB-CE 3.7Å; Q463-M465 PolarHBondContact O-N 3.46Å; M465-L467 HydrophobicContact CG-CD1 3.64Å; M465-L467 HydrophobicContact CG-CG 4.16Å; M465-L467 HydrophobicContact SD-CD1 3.79Å; M465-L467 HydrophobicContact SD-CD2 4.01Å; M465-L467 HydrophobicContact SD-CG 3.94Å; M465-S616 WeakPolarHBondContact CE-O 3.16Å; M465-V619 HydrophobicContact CE-CB 4.27Å; M465-V619 HydrophobicContact CE-CG1 4.01Å; M465-V619 HydrophobicContact SD-CG1 3.66Å; M465-F623 HydrophobicContact CB-CD1 4.02Å; M465-F623 HydrophobicContact CB-CE1 4.29Å; M465-F623 HydrophobicContact CB-CG 4.2Å
466	V	91.5	Very high	89.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.1	171.2	-175.4	0	0	0	0	109.7	I336 Y339 L343 V362 K399 T401 F623	I336-V466 HydrophobicContact CD1-CG2 3.85Å; Y339-V466 HydrophobicContact CD1-CG2 4.05Å; Y339-V466 HydrophobicContact CE1-CG2 4.28Å; L343-V466 HydrophobicContact CD1-CB 4.34Å; L343-V466 HydrophobicContact CD1-CG1 4.15Å; L343-V466 HydrophobicContact CD1-CG2 4.05Å; V362-V466 PolarHBondContact N-O 2.9Å; K399-V466 HydrophobicContact CG-CG1 4.05Å; T401-V466 HydrophobicContact CG2-CG2 4.34Å; V466-F623 HydrophobicContact CB-CE2 4.39Å; V466-F623 HydrophobicContact CB-CZ 4.43Å; V466-F623 HydrophobicContact CG2-CZ 4.29Å
467	L	92.3	Very high	89.1	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	157.1	174	-54.8	107.5	0	0	0	111.3	V362 V364 L376 I379 K399 V400 L402 M465	V362-L467 HydrophobicContact CB-CB 4.5Å; V362-L467 HydrophobicContact CB-CD2 4.22Å; V362-L467 HydrophobicContact CB-CG 4.13Å; V362-L467 HydrophobicContact CG1-CD2 3.97Å; V362-L467 HydrophobicContact CG1-CG 4.44Å; V362-L467 CarbonylContact O-C 3.59Å; V362-L467 VanDerWaalsContact O-CA 3.28Å; V362-L467 WeakPolarHBondContact O-CA 3.32Å; V364-L467 HydrophobicContact CG2-CB 4.44Å; V364-L467 HydrophobicContact CG2-CD2 4.22Å; L376-L467 HydrophobicContact CD1-CB 4.04Å; L376-L467 HydrophobicContact CD1-CD1 3.93Å; L376-L467 HydrophobicContact CD1-CD2 3.99Å; L376-L467 HydrophobicContact CD1-CG 4.21Å; I379-L467 HydrophobicContact CD1-CD2 4.5Å; K399-L467 CarbonylContact C-O 3.45Å; K399-L467 WeakPolarHBondContact CA-O 3.46Å; V400-L467 PolarHBondContact N-O 3.4Å; V400-L467 PolarHBondContact O-N 3.12Å; L402-L467 HydrophobicContact CD1-CD1 3.44Å; L402-L467 VanDerWaalsContact CD1-CD1 3.44Å; L402-L467 HydrophobicContact CG-CD1 3.75Å; M465-L467 HydrophobicContact CG-CD1 3.64Å; M465-L467 HydrophobicContact CG-CG 4.16Å; M465-L467 HydrophobicContact SD-CD1 3.79Å; M465-L467 HydrophobicContact SD-CD2 4.01Å; M465-L467 HydrophobicContact SD-CG 3.94Å
468	V	92	Very high	88.9	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	107.5	169.7	-174.7	0	0	0	0	108.5	R361 V362 V364 P397 V398 L470 Y496	R361-V468 HydrophobicContact CB-CG2 4.42Å; V362-V468 PolarHBondContact O-N 2.85Å; V364-V468 WeakPolarHBondContact CB-O 3.5Å; V364-V468 PolarHBondContact N-O 2.59Å; P397-V468 HydrophobicContact CB-CG1 4.28Å; V398-V468 CarbonylContact O-C 3.59Å; V398-V468 VanDerWaalsContact O-CA 3.32Å; V398-V468 WeakPolarHBondContact O-CA 3.35Å; V468-L470 HydrophobicContact CG1-CD2 3.79Å; V468-L470 HydrophobicContact CG1-CG 4.35Å; V468-Y496 HydrophobicContact CG1-CE1 4.43Å
469	D	92.4	Very high	88.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	138.3	167.6	-163.5	35.1	0	0	0	109.1	T373 L376 T394 P397 V398	T373-D469 PolarHBondContact OG1-OD2 2.72Å; L376-D469 HydrophobicContact CD2-CB 3.76Å; T394-D469 PolarHBondContact OG1-OD2 2.99Å; P397-D469 VanDerWaalsContact CA-O 3.31Å; P397-D469 WeakPolarHBondContact CA-O 3.34Å; V398-D469 PolarHBondContact N-O 2.75Å; V398-D469 PolarHBondContact O-N 3.25Å
470	L	91.6	Very high	87.9	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	26%	0.258	C	S	.	.			trans	-122.4	148.9	179.3	-64.2	-178.7	0	0	0	111.2	V363 V365 K372 P397 V468 G472 Y496	V363-L470 HydrophobicContact CG1-CD1 3.58Å; V363-L470 HydrophobicContact CG1-CG 4.44Å; V365-L470 HydrophobicContact CG1-CD1 3.98Å; K372-L470 WeakPolarHBondContact CE-O 3.46Å; P397-L470 HydrophobicContact CB-CD2 3.82Å; P397-L470 HydrophobicContact CG-CD2 3.99Å; V468-L470 HydrophobicContact CG1-CD2 3.79Å; V468-L470 HydrophobicContact CG1-CG 4.35Å; L470-G472 PolarHBondContact O-N 3.02Å; L470-Y496 HydrophobicContact CD1-CD2 3.97Å; L470-Y496 HydrophobicContact CD1-CG 4.4Å; L470-Y496 HydrophobicContact CD2-CD2 3.53Å; L470-Y496 HydrophobicContact CD2-CE2 3.68Å; L470-Y496 HydrophobicContact CD2-CG 4.36Å; L470-Y496 HydrophobicContact CG-CD2 4.41Å
471	P	90.1	Very high	87.8	Confident	4 Å²	4	36.6 Å²	36.6	3%	0.026	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-47	137.3	169.2	-29.6	36.9	0	0	0	112	T394 I489 M492	T394-P471 HydrophobicContact CG2-CG 4.48Å; T394-P471 WeakPolarHBondContact O-CA 3.48Å; T394-P471 WeakPolarHBondContact O-CB 3.38Å; P471-I489 HydrophobicContact CB-CD1 4.23Å; P471-I489 HydrophobicContact CB-CG1 3.97Å; P471-I489 HydrophobicContact CB-CG2 4.3Å; P471-M492 HydrophobicContact CG-CE 3.9Å
472	G	89.1	Confident	87.9	Confident	9 Å²	9	35.1 Å²	35.1	9%	0.093	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-68.7	137.6	-176.4	0	0	0	0	0	112.5	L470 I474	L470-G472 PolarHBondContact O-N 3.02Å; G472-I474 WeakPolarHBondContact O-CG2 3.34Å; G472-I474 PolarHBondContact O-N 3.24Å
473	V	88.9	Confident	87.8	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.024	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-61.8	128.5	176.3	179.5	0	0	0	0	109.4	G366 Q368 F490 I518	G366-V473 PolarHBondContact O-N 2.88Å; Q368-V473 PolarHBondContact N-O 3.2Å; V473-F490 HydrophobicContact CG1-CE1 3.82Å; V473-F490 HydrophobicContact CG1-CE2 3.76Å; V473-F490 HydrophobicContact CG1-CZ 3.27Å; V473-I518 HydrophobicContact CG1-CB 4.23Å; V473-I518 HydrophobicContact CG1-CG2 4.49Å
474	I	88.8	Confident	87.8	Confident	4 Å²	4	40 Å²	40	2%	0.021	26%	0.262	C	S	.	.			trans	-110.6	138.4	-178.8	63.8	178.8	0	0	0	111.7	Q368 G472 V477 M481 T485 K486 I489	Q368-I474 HydrophobicContact CB-CG2 4.32Å; G472-I474 WeakPolarHBondContact O-CG2 3.34Å; G472-I474 PolarHBondContact O-N 3.24Å; I474-V477 HydrophobicContact CD1-CG2 4.36Å; I474-M481 HydrophobicContact CD1-CE 3.68Å; I474-T485 HydrophobicContact CD1-CG2 4.32Å; I474-K486 HydrophobicContact CD1-CB 4.11Å; I474-K486 HydrophobicContact CG1-CB 3.97Å; I474-K486 HydrophobicContact CG1-CG 4.11Å; I474-K486 VanDerWaalsContact O-CE 3.32Å; I474-K486 WeakPolarHBondContact O-CE 3.37Å; I474-I489 HydrophobicContact CD1-CD1 4.17Å; I474-I489 HydrophobicContact CG1-CD1 4.32Å
475	S	82.1	Confident	87.8	Confident	70 Å²	70	37.5 Å²	37.5	49%	0.49	25%	0.253	S	S	.	.	S	Bend	trans	-77.2	-43.4	173.7	55.7	0	0	0	0	111.8	K486	S475-K486 WeakPolarHBondContact O-CE 3.22Å; S475-K486 PolarHBondContact O-NZ 2.98Å
476	T	84.4	Confident	87.7	Confident	99 Å²	99	40.8 Å²	40.8	61%	0.607	27%	0.267	S	S	*	.	S	Bend	trans	-132.9	143.1	-174.4	52.7	0	0	0	0	111.6
477	V	85.8	Confident	87.7	Confident	57 Å²	57	47.7 Å²	47.7	35%	0.345	30%	0.299	S	S	.	.			trans	-84	134.4	173.4	-178.6	0	0	0	0	109	I474 M481 K486	I474-V477 HydrophobicContact CD1-CG2 4.36Å; V477-M481 HydrophobicContact CG1-CB 3.61Å; V477-K486 HydrophobicContact CG2-CB 3.98Å
478	T	85.9	Confident	87.6	Confident	86 Å²	86	49.3 Å²	49.3	53%	0.528	31%	0.309	S	S	.	.			trans	-98.4	164.2	-179.4	65.9	0	0	0	0	112.4	G480 M481	T478-G480 PolarHBondContact O-N 3.36Å; T478-M481 HydrophobicContact CG2-SD 4.48Å; T478-M481 WeakPolarHBondContact O-CB 3.28Å; T478-M481 PolarHBondContact O-N 3.5Å; T478-M481 WeakPolarHBondContact OG1-CG 3.19Å; T478-M481 PolarHBondContact OG1-SD 3.41Å
479	T	80.8	Confident	87.6	Confident	151 Å²	151	49.2 Å²	49.2	93%	0.926	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	115.6	178.5	48.4	0	0	0	0	111.3
480	G	79	Confident	87.5	Confident	81 Å²	81	51.5 Å²	51.5	84%	0.835	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.1	-8.7	-175.7	0	0	0	0	0	114.2	T478	T478-G480 PolarHBondContact O-N 3.36Å
481	M	85.7	Confident	87.4	Confident	35 Å²	35	55 Å²	55	17%	0.172	34%	0.344	C	S	.	.	S	Bend	trans	-90.2	149.2	167.8	-57.6	-179.2	69.7	0	0	110.7	M392 T447 I474 V477 T478 T485	M392-M481 HydrophobicContact CE-CE 3.8Å; M392-M481 HydrophobicContact SD-CE 3.83Å; T447-M481 HydrophobicContact CG2-CB 4.3Å; T447-M481 HydrophobicContact CG2-CG 4.19Å; I474-M481 HydrophobicContact CD1-CE 3.68Å; V477-M481 HydrophobicContact CG1-CB 3.61Å; T478-M481 HydrophobicContact CG2-SD 4.48Å; T478-M481 WeakPolarHBondContact O-CB 3.28Å; T478-M481 PolarHBondContact O-N 3.5Å; T478-M481 WeakPolarHBondContact OG1-CG 3.19Å; T478-M481 PolarHBondContact OG1-SD 3.41Å; M481-T485 HydrophobicContact CE-CG2 3.49Å; M481-T485 VanDerWaalsContact CE-CG2 3.49Å
482	A	86.6	Confident	87.5	Confident	17 Å²	17	55.6 Å²	55.6	14%	0.14	35%	0.346	C	S	.	.			trans	-69.7	144.9	173.6	0	0	0	0	0	111	G445 T447 D484 T485	G445-A482 WeakPolarHBondContact O-CB 3.1Å; T447-A482 PolarHBondContact OG1-N 3.19Å; A482-D484 VanDerWaalsContact C-N 3.26Å; A482-D484 WeakPolarHBondContact CB-OD1 3.3Å; A482-D484 PolarHBondContact O-N 3.42Å; A482-T485 PolarHBondContact N-OG1 2.97Å; A482-T485 VanDerWaalsContact O-CB 3.25Å; A482-T485 WeakPolarHBondContact O-CB 3.26Å; A482-T485 PolarHBondContact O-N 3.33Å; A482-T485 PolarHBondContact O-OG1 3.45Å
483	S	86.9	Confident	87.6	Confident	113 Å²	113	55.3 Å²	55.3	79%	0.79	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.5	-172.1	52.5	0	0	0	0	114.2
484	D	89.8	Confident	87.6	Confident	51 Å²	51	59.9 Å²	59.9	27%	0.273	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.8	176.3	69	-48.1	0	0	0	113.1	A482 K486 E487 T488	A482-D484 VanDerWaalsContact C-N 3.26Å; A482-D484 WeakPolarHBondContact CB-OD1 3.3Å; A482-D484 PolarHBondContact O-N 3.42Å; D484-K486 CarbonylContact O-C 3.11Å; D484-K486 PolarHBondContact O-N 2.88Å; D484-E487 WeakPolarHBondContact O-CA 3.48Å; D484-E487 PolarHBondContact O-N 3.31Å; D484-T488 PolarHBondContact O-N 2.94Å; D484-T488 PolarHBondContact O-OG1 3.14Å; D484-T488 PolarHBondContact OD2-OG1 2.93Å
485	T	89.3	Confident	87.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-49.6	-39.5	-167.3	-56	0	0	0	0	113.3	M392 V448 I474 M481 A482 I489	M392-T485 HydrophobicContact CE-CG2 4.39Å; V448-T485 HydrophobicContact CG1-CG2 3.88Å; V448-T485 HydrophobicContact CG2-CG2 4.1Å; I474-T485 HydrophobicContact CD1-CG2 4.32Å; M481-T485 HydrophobicContact CE-CG2 3.49Å; M481-T485 VanDerWaalsContact CE-CG2 3.49Å; A482-T485 PolarHBondContact N-OG1 2.97Å; A482-T485 VanDerWaalsContact O-CB 3.25Å; A482-T485 WeakPolarHBondContact O-CB 3.26Å; A482-T485 PolarHBondContact O-N 3.33Å; A482-T485 PolarHBondContact O-OG1 3.45Å; T485-I489 HydrophobicContact CG2-CD1 3.88Å; T485-I489 HydrophobicContact CG2-CG1 4.41Å; T485-I489 WeakPolarHBondContact O-CB 3.32Å; T485-I489 WeakPolarHBondContact O-CG1 3.46Å; T485-I489 PolarHBondContact O-N 3.32Å
486	K	89.4	Confident	87.9	Confident	70 Å²	70	61.1 Å²	61.1	30%	0.304	37%	0.368	S	S	.	.	H	α-helix	trans	-61.2	-52.8	176	-179.9	175.2	179.2	-179.5	0	111.6	I474 S475 V477 D484 T488 I489 F490	I474-K486 HydrophobicContact CD1-CB 4.11Å; I474-K486 HydrophobicContact CG1-CB 3.97Å; I474-K486 HydrophobicContact CG1-CG 4.11Å; I474-K486 VanDerWaalsContact O-CE 3.32Å; I474-K486 WeakPolarHBondContact O-CE 3.37Å; S475-K486 WeakPolarHBondContact O-CE 3.22Å; S475-K486 PolarHBondContact O-NZ 2.98Å; V477-K486 HydrophobicContact CG2-CB 3.98Å; D484-K486 CarbonylContact O-C 3.11Å; D484-K486 PolarHBondContact O-N 2.88Å; K486-T488 VanDerWaalsContact C-N 3.32Å; K486-T488 PolarHBondContact O-N 3.38Å; K486-I489 PolarHBondContact O-N 3.08Å; K486-F490 HydrophobicContact CG-CD2 3.91Å; K486-F490 HydrophobicContact CG-CE2 3.92Å; K486-F490 VanDerWaalsContact O-CD2 3.27Å; K486-F490 WeakPolarHBondContact O-CD2 3.44Å; K486-F490 PolarHBondContact O-N 2.87Å
487	E	90.6	Very high	88.2	Confident	144 Å²	144	56.4 Å²	56.4	67%	0.673	34%	0.34	S	S	*	.	H	α-helix	trans	-65.9	-36	-178.7	-61.6	-175.5	178.7	0	0	111.7	D484 F490 S491	D484-E487 WeakPolarHBondContact O-CA 3.48Å; D484-E487 PolarHBondContact O-N 3.31Å; E487-F490 PolarHBondContact O-N 3.2Å; E487-S491 VanDerWaalsContact O-CB 3.28Å; E487-S491 WeakPolarHBondContact O-CB 3.37Å; E487-S491 PolarHBondContact O-N 2.67Å; E487-S491 PolarHBondContact O-OG 3.21Å
488	T	90.3	Very high	88.3	Confident	36 Å²	36	58.7 Å²	58.7	22%	0.221	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-45.6	174.6	-58.5	0	0	0	0	111.2	V448 D484 K486 S491 M492	V448-T488 HydrophobicContact CG2-CG2 3.64Å; D484-T488 PolarHBondContact O-N 2.94Å; D484-T488 PolarHBondContact O-OG1 3.14Å; D484-T488 PolarHBondContact OD2-OG1 2.93Å; K486-T488 VanDerWaalsContact C-N 3.32Å; K486-T488 PolarHBondContact O-N 3.38Å; T488-S491 PolarHBondContact O-N 3.49Å; T488-M492 HydrophobicContact CG2-SD 3.95Å; T488-M492 WeakPolarHBondContact O-CB 3.44Å; T488-M492 VanDerWaalsContact O-CG 3.25Å; T488-M492 WeakPolarHBondContact O-CG 3.44Å; T488-M492 PolarHBondContact O-N 2.94Å
489	I	91.6	Very high	88.3	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-60.2	-48.5	173.2	-68.1	168.2	0	0	0	111.1	M392 V448 P471 I474 T485 K486 S491 M492 S493	M392-I489 HydrophobicContact SD-CD1 4.16Å; V448-I489 HydrophobicContact CG1-CD1 4.09Å; V448-I489 HydrophobicContact CG1-CG1 4.02Å; V448-I489 HydrophobicContact CG2-CG1 4.26Å; P471-I489 HydrophobicContact CB-CD1 4.23Å; P471-I489 HydrophobicContact CB-CG1 3.97Å; P471-I489 HydrophobicContact CB-CG2 4.3Å; I474-I489 HydrophobicContact CD1-CD1 4.17Å; I474-I489 HydrophobicContact CG1-CD1 4.32Å; T485-I489 HydrophobicContact CG2-CD1 3.88Å; T485-I489 HydrophobicContact CG2-CG1 4.41Å; T485-I489 WeakPolarHBondContact O-CB 3.32Å; T485-I489 WeakPolarHBondContact O-CG1 3.46Å; T485-I489 PolarHBondContact O-N 3.32Å; K486-I489 PolarHBondContact O-N 3.08Å; I489-S491 VanDerWaalsContact C-N 3.3Å; I489-S491 PolarHBondContact O-N 3.2Å; I489-M492 PolarHBondContact O-N 3.24Å; I489-S493 PolarHBondContact O-N 2.91Å; I489-S493 PolarHBondContact O-OG 3.25Å
490	F	90.9	Very high	88.5	Confident	48 Å²	48	49.6 Å²	49.6	21%	0.211	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-41.3	176.9	-90.4	-74	0	0	0	112.5	V473 K486 E487 K494 I518 L522	V473-F490 HydrophobicContact CG1-CE1 3.82Å; V473-F490 HydrophobicContact CG1-CE2 3.76Å; V473-F490 HydrophobicContact CG1-CZ 3.27Å; K486-F490 HydrophobicContact CG-CD2 3.91Å; K486-F490 HydrophobicContact CG-CE2 3.92Å; K486-F490 VanDerWaalsContact O-CD2 3.27Å; K486-F490 WeakPolarHBondContact O-CD2 3.44Å; K486-F490 PolarHBondContact O-N 2.87Å; E487-F490 PolarHBondContact O-N 3.2Å; F490-K494 WeakPolarHBondContact O-CB 3.31Å; F490-K494 PolarHBondContact O-N 3.44Å; F490-I518 HydrophobicContact CE1-CG2 4.28Å; F490-I518 HydrophobicContact CZ-CG2 3.69Å; F490-L522 HydrophobicContact CD1-CD1 4.33Å; F490-L522 HydrophobicContact CD1-CD2 3.99Å; F490-L522 HydrophobicContact CE1-CD2 4.18Å
491	S	90.7	Very high	88.8	Confident	76 Å²	76	47.6 Å²	47.6	53%	0.531	26%	0.264	S	S	.	.	H	α-helix	trans	-67.7	-40.2	179.6	-59.8	0	0	0	0	111.8	E487 T488 I489 K494 A495	E487-S491 VanDerWaalsContact O-CB 3.28Å; E487-S491 WeakPolarHBondContact O-CB 3.37Å; E487-S491 PolarHBondContact O-N 2.67Å; E487-S491 PolarHBondContact O-OG 3.21Å; T488-S491 PolarHBondContact O-N 3.49Å; I489-S491 VanDerWaalsContact C-N 3.3Å; I489-S491 PolarHBondContact O-N 3.2Å; S491-K494 PolarHBondContact O-N 2.99Å; S491-A495 WeakPolarHBondContact O-CB 3.44Å; S491-A495 PolarHBondContact O-N 3.49Å
492	M	90.2	Very high	89	Confident	16 Å²	16	45.9 Å²	45.9	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-50.3	174	-71.3	163.5	56.1	0	0	111.8	P397 V448 S449 P471 T488 I489 K494 A495 Y496	P397-M492 HydrophobicContact CG-CE 3.65Å; V448-M492 HydrophobicContact CG2-SD 4.44Å; S449-M492 WeakPolarHBondContact O-CE 3.45Å; P471-M492 HydrophobicContact CG-CE 3.9Å; T488-M492 HydrophobicContact CG2-SD 3.95Å; T488-M492 WeakPolarHBondContact O-CB 3.44Å; T488-M492 VanDerWaalsContact O-CG 3.25Å; T488-M492 WeakPolarHBondContact O-CG 3.44Å; T488-M492 PolarHBondContact O-N 2.94Å; I489-M492 PolarHBondContact O-N 3.24Å; M492-K494 VanDerWaalsContact C-N 3.31Å; M492-K494 PolarHBondContact O-N 2.98Å; M492-A495 WeakPolarHBondContact O-CB 3.24Å; M492-A495 PolarHBondContact O-N 3Å; M492-Y496 VanDerWaalsContact O-CD2 3.28Å; M492-Y496 WeakPolarHBondContact O-CD2 3.35Å; M492-Y496 PolarHBondContact O-N 3.32Å
493	S	91.3	Very high	89.4	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.014	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-44.2	175.9	-61.5	0	0	0	0	111.5	I489 A495 Y496 M497	I489-S493 PolarHBondContact O-N 2.91Å; I489-S493 PolarHBondContact O-OG 3.25Å; S493-A495 PolarHBondContact O-N 3.25Å; S493-Y496 PolarHBondContact O-N 2.81Å; S493-M497 WeakPolarHBondContact O-CB 3.4Å; S493-M497 WeakPolarHBondContact O-CG 3.49Å; S493-M497 PolarHBondContact O-N 2.84Å
494	K	90.6	Very high	89.8	Confident	100 Å²	100	39.7 Å²	39.7	44%	0.435	21%	0.211	S	C	.	.	H	α-helix	trans	-58.4	-43.4	174.9	177	163.1	-177.3	170.2	0	112.5	F490 S491 M492 M497 L498 M526	F490-K494 WeakPolarHBondContact O-CB 3.31Å; F490-K494 PolarHBondContact O-N 3.44Å; S491-K494 PolarHBondContact O-N 2.99Å; M492-K494 VanDerWaalsContact C-N 3.31Å; M492-K494 PolarHBondContact O-N 2.98Å; K494-M497 PolarHBondContact O-N 3.35Å; K494-L498 HydrophobicContact CG-CD1 3.8Å; K494-L498 HydrophobicContact CG-CG 4.11Å; K494-L498 WeakPolarHBondContact O-CB 3.4Å; K494-L498 WeakPolarHBondContact O-CG 3.46Å; K494-L498 PolarHBondContact O-N 3.4Å; K494-M526 HydrophobicContact CB-CE 4.21Å; K494-M526 HydrophobicContact CD-CE 3.73Å; K494-M526 HydrophobicContact CG-CE 3.62Å; K494-M526 HydrophobicContact CG-SD 4.37Å
495	A	88.4	Confident	90	Very high	58 Å²	58	37.3 Å²	37.3	48%	0.479	20%	0.199	S	C	.	.	H	α-helix	trans	-57.7	-51.7	178.9	0	0	0	0	0	112.1	S491 M492 S493 M497 L498	S491-A495 WeakPolarHBondContact O-CB 3.44Å; S491-A495 PolarHBondContact O-N 3.49Å; M492-A495 WeakPolarHBondContact O-CB 3.24Å; M492-A495 PolarHBondContact O-N 3Å; S493-A495 PolarHBondContact O-N 3.25Å; A495-M497 VanDerWaalsContact C-N 3.35Å; A495-M497 PolarHBondContact O-N 3.42Å; A495-L498 PolarHBondContact O-N 3.44Å
496	Y	88.5	Confident	90.2	Very high	43 Å²	43	37.3 Å²	37.3	17%	0.169	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-31.9	177.5	-69.9	-72.4	0	0	0	113.5	P397 T452 V468 L470 M492 S493	P397-Y496 HydrophobicContact CB-CE2 4.33Å; P397-Y496 HydrophobicContact CG-CE2 4.08Å; T452-Y496 WeakPolarHBondContact CG2-OH 3.45Å; V468-Y496 HydrophobicContact CG1-CE1 4.43Å; L470-Y496 HydrophobicContact CD1-CD2 3.97Å; L470-Y496 HydrophobicContact CD1-CG 4.4Å; L470-Y496 HydrophobicContact CD2-CD2 3.53Å; L470-Y496 HydrophobicContact CD2-CE2 3.68Å; L470-Y496 HydrophobicContact CD2-CG 4.36Å; L470-Y496 HydrophobicContact CG-CD2 4.41Å; M492-Y496 VanDerWaalsContact O-CD2 3.28Å; M492-Y496 WeakPolarHBondContact O-CD2 3.35Å; M492-Y496 PolarHBondContact O-N 3.32Å; S493-Y496 PolarHBondContact O-N 2.81Å
497	M	89.7	Confident	90.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-77.8	-20.8	178.5	-66.7	166.2	78	0	0	113.3	V363 V365 S493 K494 A495 N499 I504 L522 V523 M526 R532	V363-M497 HydrophobicContact CG1-CG 4.41Å; V365-M497 HydrophobicContact CG1-CG 4.3Å; V365-M497 HydrophobicContact CG1-SD 3.86Å; V365-M497 HydrophobicContact CG2-CE 4.41Å; V365-M497 HydrophobicContact CG2-SD 4.49Å; S493-M497 WeakPolarHBondContact O-CB 3.4Å; S493-M497 WeakPolarHBondContact O-CG 3.49Å; S493-M497 PolarHBondContact O-N 2.84Å; K494-M497 PolarHBondContact O-N 3.35Å; A495-M497 VanDerWaalsContact C-N 3.35Å; A495-M497 PolarHBondContact O-N 3.42Å; M497-N499 VanDerWaalsContact C-N 3.35Å; M497-I504 HydrophobicContact CB-CD1 4.32Å; M497-I504 HydrophobicContact CE-CD1 3.99Å; M497-I504 HydrophobicContact CE-CG2 4.08Å; M497-I504 HydrophobicContact CG-CD1 4.35Å; M497-I504 HydrophobicContact CG-CG1 4.36Å; M497-L522 HydrophobicContact CE-CD2 4.47Å; M497-L522 HydrophobicContact CE-CG 4.08Å; M497-L522 HydrophobicContact SD-CD2 3.92Å; M497-L522 HydrophobicContact SD-CG 4.06Å; M497-V523 HydrophobicContact CE-CB 4.18Å; M497-V523 HydrophobicContact CE-CG2 3.57Å; M497-M526 HydrophobicContact CB-CB 4.15Å; M497-M526 HydrophobicContact CB-CG 3.83Å; M497-M526 HydrophobicContact CE-CB 4.11Å; M497-M526 HydrophobicContact CE-CG 3.9Å; M497-R532 VanDerWaalsContact O-CZ 3.3Å; M497-R532 PolarHBondContact O-NH1 2.83Å; M497-R532 PolarHBondContact O-NH2 2.96Å
498	L	88.4	Confident	90.5	Very high	105 Å²	105	27.6 Å²	27.6	55%	0.55	15%	0.154	S	C	.	.	H	α-helix	trans	-69.7	-28.2	179.7	-85.2	166.6	0	0	0	113.3	K494 A495 P500 M526	K494-L498 HydrophobicContact CG-CD1 3.8Å; K494-L498 HydrophobicContact CG-CG 4.11Å; K494-L498 WeakPolarHBondContact O-CB 3.4Å; K494-L498 WeakPolarHBondContact O-CG 3.46Å; K494-L498 PolarHBondContact O-N 3.4Å; A495-L498 PolarHBondContact O-N 3.44Å; L498-P500 WeakPolarHBondContact O-CD 3.37Å; L498-P500 VanDerWaalsContact O-N 3.13Å; L498-M526 HydrophobicContact CD2-SD 4.13Å; L498-M526 HydrophobicContact CG-SD 4.28Å
499	N	85.3	Confident	90.4	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	15%	0.148	C	C	.	.	S	Bend	trans	-51.9	115.5	170.8	172.7	-25.2	0	0	0	109.6	D357 L359 M497 N501 A502 R532	D357-N499 VanDerWaalsContact C-CG 3.5Å; D357-N499 HydrophobicContact CB-CB 4.07Å; D357-N499 WeakPolarHBondContact O-CA 3.31Å; D357-N499 WeakPolarHBondContact O-CB 3.48Å; D357-N499 PolarHBondContact O-ND2 3.44Å; D357-N499 PolarHBondContact O-OD1 2.88Å; D357-N499 VanDerWaalsContact O-OD1 3.12Å; D357-N499 VanDerWaalsContact OD2-CB 3.29Å; D357-N499 WeakPolarHBondContact OD2-CB 3.43Å; D357-N499 PolarHBondContact OD2-ND2 3.44Å; L359-N499 PolarHBondContact O-ND2 3.47Å; M497-N499 VanDerWaalsContact C-N 3.35Å; N499-N501 PolarHBondContact O-N 2.95Å; N499-N501 VanDerWaalsContact O-N 3.11Å; N499-N501 WeakPolarHBondContact OD1-CA 3.26Å; N499-N501 PolarHBondContact OD1-N 2.94Å; N499-A502 HydrophobicContact CB-CB 3.71Å; N499-A502 WeakPolarHBondContact O-CB 3.44Å; N499-A502 PolarHBondContact O-N 2.95Å; N499-A502 VanDerWaalsContact O-N 3.15Å; N499-A502 PolarHBondContact OD1-N 2.67Å; N499-R532 PolarHBondContact O-NH1 3.08Å
500	P	85.1	Confident	90.1	Very high	42 Å²	42	27.3 Å²	27.3	27%	0.273	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.3	-169.5	30.4	-36.9	0	0	0	113.6	L498 R531 R532	L498-P500 WeakPolarHBondContact O-CD 3.37Å; L498-P500 VanDerWaalsContact O-N 3.13Å; P500-R531 PolarHBondContact O-NH1 2.82Å; P500-R531 PolarHBondContact O-NH2 3.45Å; P500-R532 WeakPolarHBondContact O-CD 3.45Å
501	N	86.4	Confident	89.8	Confident	38 Å²	38	27.2 Å²	27.2	20%	0.203	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-0.3	-179.8	-62.8	-15.8	0	0	0	112.3	H358 P360 N499	H358-N501 VanDerWaalsContact O-CB 3.31Å; H358-N501 WeakPolarHBondContact O-CB 3.42Å; H358-N501 PolarHBondContact O-ND2 3.19Å; P360-N501 WeakPolarHBondContact CA-O 3.43Å; P360-N501 WeakPolarHBondContact CB-O 3.41Å; P360-N501 HydrophobicContact CG-CB 4.21Å; N499-N501 PolarHBondContact O-N 2.95Å; N499-N501 VanDerWaalsContact O-N 3.11Å; N499-N501 WeakPolarHBondContact OD1-CA 3.26Å; N499-N501 PolarHBondContact OD1-N 2.94Å
502	A	90.2	Very high	89.4	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.			trans	-72.3	134.9	171	0	0	0	0	0	110.8	V363 N499 R532	V363-A502 HydrophobicContact CG2-CB 3.9Å; N499-A502 HydrophobicContact CB-CB 3.71Å; N499-A502 WeakPolarHBondContact O-CB 3.44Å; N499-A502 PolarHBondContact O-N 2.95Å; N499-A502 VanDerWaalsContact O-N 3.15Å; N499-A502 PolarHBondContact OD1-N 2.67Å; A502-R532 WeakPolarHBondContact O-CD 3.43Å; A502-R532 PolarHBondContact O-NH1 3.08Å
503	I	93.4	Very high	88.9	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.1	178.8	-52.5	-171.9	0	0	0	107.9	R361 V362 V363 L505 R532 I534 C622 F623 M626	R361-I503 PolarHBondContact O-N 2.67Å; V362-I503 CarbonylContact C-O 3.56Å; V362-I503 HydrophobicContact CG2-CB 4.45Å; V363-I503 PolarHBondContact N-O 2.59Å; I503-L505 PolarHBondContact O-N 2.63Å; I503-R532 CarbonylContact C-O 3.49Å; I503-R532 WeakPolarHBondContact CA-O 3.49Å; I503-I534 HydrophobicContact CG2-CD1 4.16Å; I503-C622 HydrophobicContact CD1-CB 4.16Å; I503-F623 VanDerWaalsContact CD1-CA 3.44Å; I503-F623 HydrophobicContact CD1-CB 4.02Å; I503-M626 HydrophobicContact CD1-CE 3.79Å; I503-M626 HydrophobicContact CD1-SD 4.18Å; I503-M626 HydrophobicContact CG1-CE 3.64Å; I503-M626 HydrophobicContact CG1-SD 3.83Å
504	I	95	Very high	88.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	106.4	-178.1	-60	174.1	0	0	0	108	V365 M497 C506 V523 M526 D527 R532 T533 I534	V365-I504 HydrophobicContact CG2-CG2 3.66Å; M497-I504 HydrophobicContact CB-CD1 4.32Å; M497-I504 HydrophobicContact CE-CD1 3.99Å; M497-I504 HydrophobicContact CE-CG2 4.08Å; M497-I504 HydrophobicContact CG-CD1 4.35Å; M497-I504 HydrophobicContact CG-CG1 4.36Å; I504-C506 PolarHBondContact O-N 3.28Å; I504-V523 HydrophobicContact CG2-CG1 4.13Å; I504-V523 HydrophobicContact CG2-CG2 3.9Å; I504-M526 HydrophobicContact CD1-CB 4.17Å; I504-D527 HydrophobicContact CD1-CB 4.24Å; I504-R532 PolarHBondContact N-O 2.83Å; I504-T533 HydrophobicContact CB-CG2 4.33Å; I504-T533 HydrophobicContact CG2-CG2 4.29Å; I504-T533 CarbonylContact O-C 3.57Å; I504-T533 WeakPolarHBondContact O-CA 3.13Å; I504-I534 PolarHBondContact O-N 2.86Å
505	L	95.3	Very high	87.8	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	94.3	171.9	-169.7	66.6	0	0	0	108.5	V362 V363 V364 V365 I503 I507 I534 V536 L615 V619	V362-L505 HydrophobicContact CG1-CB 3.97Å; V362-L505 HydrophobicContact CG1-CD2 4.29Å; V363-L505 PolarHBondContact O-N 3.18Å; V364-L505 HydrophobicContact CG1-CD2 4.5Å; V364-L505 HydrophobicContact CG2-CD2 4.21Å; V365-L505 PolarHBondContact N-O 3.1Å; V365-L505 VanDerWaalsContact O-O 3.12Å; I503-L505 PolarHBondContact O-N 2.63Å; L505-I507 HydrophobicContact CD2-CD1 4.11Å; L505-I507 HydrophobicContact CD2-CG1 4.5Å; L505-I507 HydrophobicContact CG-CD1 4.27Å; L505-I507 HydrophobicContact CG-CG1 4.13Å; L505-I507 PolarHBondContact O-N 2.82Å; L505-I534 HydrophobicContact CD1-CB 4.04Å; L505-I534 HydrophobicContact CD1-CG2 3.89Å; L505-V536 HydrophobicContact CD1-CG2 3.6Å; L505-V536 HydrophobicContact CG-CG2 4.26Å; L505-L615 HydrophobicContact CD1-CD1 4.21Å; L505-V619 HydrophobicContact CD1-CG2 3.99Å
506	C	94.1	Very high	87.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	106.7	-178.2	-179.6	0	0	0	0	110.1	I504 V523 T533 I534 F535 V536 M564	I504-C506 PolarHBondContact O-N 3.28Å; C506-V523 HydrophobicContact CB-CG2 4.19Å; C506-T533 HydrophobicContact CB-CG2 4.28Å; C506-I534 PolarHBondContact N-O 3.31Å; C506-F535 HydrophobicContact CB-CD2 4.43Å; C506-F535 WeakPolarHBondContact O-CA 3.39Å; C506-V536 PolarHBondContact O-N 3.03Å; C506-M564 HydrophobicContact CB-CE 4.24Å
507	I	93	Very high	87.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.5	-175.9	-57.3	-176.7	0	0	0	110	V364 V365 G366 A370 K372 V375 L505 V536 T538	V364-I507 HydrophobicContact CG1-CD1 3.44Å; V364-I507 VanDerWaalsContact CG1-CD1 3.44Å; V364-I507 HydrophobicContact CG1-CG1 4.29Å; V365-I507 PolarHBondContact O-N 2.66Å; G366-I507 VanDerWaalsContact CA-O 3.28Å; G366-I507 WeakPolarHBondContact CA-O 3.27Å; A370-I507 VanDerWaalsContact O-CG2 3.28Å; A370-I507 WeakPolarHBondContact O-CG2 3.31Å; K372-I507 HydrophobicContact CB-CD1 4.41Å; K372-I507 HydrophobicContact CG-CB 4.2Å; K372-I507 HydrophobicContact CG-CD1 4.27Å; V375-I507 HydrophobicContact CB-CD1 3.83Å; V375-I507 HydrophobicContact CG1-CD1 4.02Å; V375-I507 HydrophobicContact CG2-CD1 3.97Å; V375-I507 HydrophobicContact CG2-CG2 4.2Å; L505-I507 HydrophobicContact CD2-CD1 4.11Å; L505-I507 HydrophobicContact CD2-CG1 4.5Å; L505-I507 HydrophobicContact CG-CD1 4.27Å; L505-I507 HydrophobicContact CG-CG1 4.13Å; L505-I507 PolarHBondContact O-N 2.82Å; I507-V536 HydrophobicContact CG1-CB 4.18Å; I507-V536 HydrophobicContact CG1-CG2 4.48Å; I507-T538 HydrophobicContact CG2-CG2 3.57Å
508	Q	91.3	Very high	86.8	Confident	10 Å²	10	39 Å²	39	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150	-175.1	-169.2	65.1	-76.4	0	0	111.6	S517 T520 F535 V536 L537 T538 F562	Q508-S517 PolarHBondContact NE2-OG 2.95Å; Q508-S517 PolarHBondContact OE1-OG 3.45Å; Q508-T520 VanDerWaalsContact NE2-CG2 3.33Å; Q508-F535 HydrophobicContact CB-CE1 4.29Å; Q508-F535 HydrophobicContact CB-CE2 3.93Å; Q508-F535 HydrophobicContact CB-CZ 3.54Å; Q508-F535 HydrophobicContact CG-CE2 4.36Å; Q508-F535 HydrophobicContact CG-CZ 3.87Å; Q508-V536 PolarHBondContact N-O 2.96Å; Q508-L537 HydrophobicContact CB-CD1 4.09Å; Q508-L537 HydrophobicContact CG-CD1 4.03Å; Q508-T538 PolarHBondContact O-N 3.41Å; Q508-T538 PolarHBondContact O-OG1 2.85Å; Q508-F562 HydrophobicContact CG-CE2 4.45Å; Q508-F562 HydrophobicContact CG-CZ 4.04Å
509	D	89.2	Confident	86.9	Confident	17 Å²	17	34 Å²	34	9%	0.091	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.8	170.4	-161.8	-35.1	0	0	0	110.8	A370 S511 V512 K539	A370-D509 HydrophobicContact CB-CB 4.18Å; D509-S511 VanDerWaalsContact C-N 3.28Å; D509-S511 PolarHBondContact O-N 3.36Å; D509-S511 WeakPolarHBondContact OD1-CA 3.45Å; D509-S511 WeakPolarHBondContact OD1-CB 3.27Å; D509-S511 PolarHBondContact OD1-N 3.46Å; D509-S511 PolarHBondContact OD1-OG 3.07Å; D509-V512 HydrophobicContact CB-CB 4.23Å; D509-V512 HydrophobicContact CB-CG2 4.05Å; D509-K539 WeakPolarHBondContact OD2-CE 3.44Å; D509-K539 IonicContact OD2-NZ 2.64Å; D509-K539 PolarHBondContact OD2-NZ 2.65Å
510	G	85.9	Confident	86.9	Confident	13 Å²	13	34.4 Å²	34.4	13%	0.134	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.6	176.5	0	0	0	0	0	114.5	T538 A543	G510-T538 WeakPolarHBondContact CA-O 3.43Å; G510-T538 PolarHBondContact N-O 3.32Å; G510-A543 VanDerWaalsContact O-CB 3.29Å; G510-A543 WeakPolarHBondContact O-CB 3.32Å
511	S	82.9	Confident	87	Confident	46 Å²	46	36.8 Å²	36.8	32%	0.322	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	0.2	178	70.9	0	0	0	0	114	D509	D509-S511 VanDerWaalsContact C-N 3.28Å; D509-S511 PolarHBondContact O-N 3.36Å; D509-S511 WeakPolarHBondContact OD1-CA 3.45Å; D509-S511 WeakPolarHBondContact OD1-CB 3.27Å; D509-S511 PolarHBondContact OD1-N 3.46Å; D509-S511 PolarHBondContact OD1-OG 3.07Å
512	V	83.1	Confident	87.2	Confident	72 Å²	72	35.5 Å²	35.5	44%	0.436	18%	0.184	S	C	.	.	S	Bend	trans	-121.2	148.6	-176.2	-179.8	0	0	0	0	110.4	D509 A514 R516	D509-V512 HydrophobicContact CB-CB 4.23Å; D509-V512 HydrophobicContact CB-CG2 4.05Å; V512-A514 PolarHBondContact O-N 3.49Å; V512-R516 HydrophobicContact CG1-CB 4.37Å
513	D	79.8	Confident	87.3	Confident	80 Å²	80	35.5 Å²	35.5	43%	0.428	18%	0.184	S	C	.	.			trans	-57.8	127.1	177.2	-55.5	-50.8	0	0	0	111.7	E515 R516	D513-E515 PolarHBondContact O-N 2.99Å; D513-E515 VanDerWaalsContact O-N 3.15Å; D513-R516 HydrophobicContact CB-CG 4.08Å; D513-R516 WeakPolarHBondContact O-CB 3.23Å; D513-R516 PolarHBondContact O-N 3.03Å; D513-R516 IonicContact OD2-CZ 3.2Å; D513-R516 IonicContact OD2-NE 2.75Å; D513-R516 PolarHBondContact OD2-NE 2.84Å; D513-R516 IonicContact OD2-NH2 2.79Å; D513-R516 PolarHBondContact OD2-NH2 3.27Å
514	A	77.7	Confident	87.1	Confident	11 Å²	11	37 Å²	37	9%	0.091	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-51.7	-37.7	178.5	0	0	0	0	0	113.4	V512 R516 S517 L561 F562	V512-A514 PolarHBondContact O-N 3.49Å; A514-R516 PolarHBondContact O-N 3.19Å; A514-S517 PolarHBondContact O-N 3.38Å; A514-L561 HydrophobicContact CB-CD2 3.64Å; A514-L561 HydrophobicContact CB-CG 4.45Å; A514-F562 HydrophobicContact CB-CD1 4.46Å; A514-F562 HydrophobicContact CB-CE1 3.58Å; A514-F562 HydrophobicContact CB-CE2 4.28Å; A514-F562 HydrophobicContact CB-CZ 3.47Å; A514-F562 VanDerWaalsContact CB-CZ 3.47Å; A514-F562 WeakPolarHBondContact O-CE1 3.47Å
515	E	80.7	Confident	86.9	Confident	135 Å²	135	42.2 Å²	42.2	63%	0.631	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-65.8	-13.4	-179.6	-65.5	81.6	176.1	0	0	114.1	D513 R552	D513-E515 PolarHBondContact O-N 2.99Å; D513-E515 VanDerWaalsContact O-N 3.15Å; E515-R552 IonicContact OE1-CZ 3.71Å; E515-R552 IonicContact OE1-NH1 3.83Å; E515-R552 IonicContact OE1-NH2 2.68Å; E515-R552 PolarHBondContact OE1-NH2 2.88Å; E515-R552 IonicContact OE2-CZ 3.99Å; E515-R552 IonicContact OE2-NH2 2.71Å; E515-R552 PolarHBondContact OE2-NH2 2.7Å
516	R	82.2	Confident	86.6	Confident	175 Å²	175	43.4 Å²	43.4	66%	0.66	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-89.6	-11.5	178	-63.1	177	-166.5	-124.7	6.2	113.8	V512 D513 A514	V512-R516 HydrophobicContact CG1-CB 4.37Å; D513-R516 HydrophobicContact CB-CG 4.08Å; D513-R516 WeakPolarHBondContact O-CB 3.23Å; D513-R516 PolarHBondContact O-N 3.03Å; D513-R516 IonicContact OD2-CZ 3.2Å; D513-R516 IonicContact OD2-NE 2.75Å; D513-R516 PolarHBondContact OD2-NE 2.84Å; D513-R516 IonicContact OD2-NH2 2.79Å; D513-R516 PolarHBondContact OD2-NH2 3.27Å; A514-R516 PolarHBondContact O-N 3.19Å
517	S	81.1	Confident	86.6	Confident	17 Å²	17	43.6 Å²	43.6	12%	0.119	23%	0.225	C	C	.	.			trans	-75.4	139	-173.7	-176.5	0	0	0	0	111.9	D367 Q508 A514 V519	D367-S517 VanDerWaalsContact OD2-CA 3.23Å; D367-S517 WeakPolarHBondContact OD2-CA 3.2Å; D367-S517 VanDerWaalsContact OD2-CB 3.31Å; D367-S517 WeakPolarHBondContact OD2-CB 3.14Å; D367-S517 PolarHBondContact OD2-OG 2.85Å; Q508-S517 PolarHBondContact NE2-OG 2.95Å; Q508-S517 PolarHBondContact OE1-OG 3.45Å; A514-S517 PolarHBondContact O-N 3.38Å; S517-V519 WeakPolarHBondContact OG-CG1 3.45Å
518	I	83.8	Confident	86.4	Confident	54 Å²	54	47.7 Å²	47.7	28%	0.277	25%	0.252	S	S	.	.	S	Bend	trans	-111.3	-29.8	-178	-45.1	177.4	0	0	0	110.8	D367 V473 F490 T520 D521	D367-I518 PolarHBondContact OD1-N 3Å; D367-I518 PolarHBondContact OD2-N 3.48Å; V473-I518 HydrophobicContact CG1-CB 4.23Å; V473-I518 HydrophobicContact CG1-CG2 4.49Å; F490-I518 HydrophobicContact CE1-CG2 4.28Å; F490-I518 HydrophobicContact CZ-CG2 3.69Å; I518-T520 PolarHBondContact O-N 3.41Å; I518-D521 PolarHBondContact O-N 2.95Å
519	V	88.8	Confident	86.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.7	-32.8	173	68	0	0	0	0	113.1	V365 D367 S517 D521 L522 V523	V365-V519 HydrophobicContact CB-CG2 3.93Å; V365-V519 HydrophobicContact CG2-CG2 3.91Å; D367-V519 PolarHBondContact OD1-N 3Å; S517-V519 WeakPolarHBondContact OG-CG1 3.45Å; V519-D521 PolarHBondContact O-N 3.47Å; V519-L522 PolarHBondContact O-N 3.19Å; V519-V523 HydrophobicContact CG2-CG2 3.93Å; V519-V523 WeakPolarHBondContact O-CB 3.36Å; V519-V523 VanDerWaalsContact O-CG2 3.23Å; V519-V523 WeakPolarHBondContact O-CG2 3.45Å; V519-V523 PolarHBondContact O-N 3.06Å
520	T	86.9	Confident	86.4	Confident	11 Å²	11	53.6 Å²	53.6	7%	0.067	28%	0.28	C	S	.	.	H	α-helix	trans	-69	-34.7	-174.4	50.4	0	0	0	0	113.6	Q508 I518 S524 F562 M564	Q508-T520 VanDerWaalsContact NE2-CG2 3.33Å; I518-T520 PolarHBondContact O-N 3.41Å; T520-S524 WeakPolarHBondContact O-CB 3.26Å; T520-S524 PolarHBondContact O-N 3.01Å; T520-F562 HydrophobicContact CG2-CD1 3.8Å; T520-F562 HydrophobicContact CG2-CE1 3.88Å; T520-F562 HydrophobicContact CG2-CG 4.42Å; T520-M564 HydrophobicContact CG2-SD 3.93Å
521	D	87.1	Confident	86.6	Confident	92 Å²	92	58.6 Å²	58.6	49%	0.492	30%	0.295	S	S	.	.	H	α-helix	trans	-66.2	-48.9	170.4	175.4	37.3	0	0	0	110.7	I518 V519 V523 S524 Q525	I518-D521 PolarHBondContact O-N 2.95Å; V519-D521 PolarHBondContact O-N 3.47Å; D521-V523 VanDerWaalsContact C-N 3.28Å; D521-V523 PolarHBondContact O-N 2.95Å; D521-S524 PolarHBondContact O-N 2.75Å; D521-S524 VanDerWaalsContact O-N 3.12Å; D521-Q525 WeakPolarHBondContact O-CG 3.5Å; D521-Q525 PolarHBondContact O-N 2.7Å; D521-Q525 PolarHBondContact OD1-NE2 3.41Å; D521-Q525 PolarHBondContact OD2-NE2 3.26Å
522	L	89.4	Confident	87	Confident	11 Å²	11	56.7 Å²	56.7	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-56.2	-41.6	175.8	-178.4	66.7	0	0	0	112	F490 M497 V519 M526	F490-L522 HydrophobicContact CD1-CD1 4.33Å; F490-L522 HydrophobicContact CD1-CD2 3.99Å; F490-L522 HydrophobicContact CE1-CD2 4.18Å; M497-L522 HydrophobicContact CE-CD2 4.47Å; M497-L522 HydrophobicContact CE-CG 4.08Å; M497-L522 HydrophobicContact SD-CD2 3.92Å; M497-L522 HydrophobicContact SD-CG 4.06Å; V519-L522 PolarHBondContact O-N 3.19Å; L522-M526 HydrophobicContact CD1-CE 3.8Å; L522-M526 VanDerWaalsContact O-CG 3.27Å; L522-M526 WeakPolarHBondContact O-CG 3.44Å; L522-M526 PolarHBondContact O-N 3.28Å
523	V	92	Very high	87.6	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-67.3	-44.8	176.4	172	0	0	0	0	111.3	V365 M497 I504 C506 V519 D521 Q525 M526 D527 T533 M564	V365-V523 HydrophobicContact CG2-CG2 3.95Å; M497-V523 HydrophobicContact CE-CB 4.18Å; M497-V523 HydrophobicContact CE-CG2 3.57Å; I504-V523 HydrophobicContact CG2-CG1 4.13Å; I504-V523 HydrophobicContact CG2-CG2 3.9Å; C506-V523 HydrophobicContact CB-CG2 4.19Å; V519-V523 HydrophobicContact CG2-CG2 3.93Å; V519-V523 WeakPolarHBondContact O-CB 3.36Å; V519-V523 VanDerWaalsContact O-CG2 3.23Å; V519-V523 WeakPolarHBondContact O-CG2 3.45Å; V519-V523 PolarHBondContact O-N 3.06Å; D521-V523 VanDerWaalsContact C-N 3.28Å; D521-V523 PolarHBondContact O-N 2.95Å; V523-Q525 VanDerWaalsContact C-N 3.27Å; V523-Q525 PolarHBondContact O-N 2.72Å; V523-M526 PolarHBondContact O-N 2.88Å; V523-M526 VanDerWaalsContact O-N 3.1Å; V523-D527 PolarHBondContact O-N 3.22Å; V523-T533 HydrophobicContact CG1-CG2 3.66Å; V523-M564 HydrophobicContact CG1-CE 3.64Å
524	S	89.9	Confident	88.3	Confident	30 Å²	30	49.6 Å²	49.6	21%	0.21	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-33	177.9	-160.1	0	0	0	0	112.4	T520 D521 P528 P563	T520-S524 WeakPolarHBondContact O-CB 3.26Å; T520-S524 PolarHBondContact O-N 3.01Å; D521-S524 PolarHBondContact O-N 2.75Å; D521-S524 VanDerWaalsContact O-N 3.12Å; S524-P528 VanDerWaalsContact O-CA 3.31Å; S524-P528 WeakPolarHBondContact O-CA 3.35Å; S524-P528 WeakPolarHBondContact O-CD 3.05Å; S524-P528 VanDerWaalsContact O-CG 3.24Å; S524-P528 WeakPolarHBondContact O-CG 3.48Å; S524-P563 WeakPolarHBondContact CB-O 3.39Å; S524-P563 PolarHBondContact OG-O 2.98Å
525	Q	90	Very high	89.1	Confident	110 Å²	110	49.1 Å²	49.1	51%	0.514	24%	0.236	S	C	.	.	H	α-helix	trans	-68.4	-33.4	172.9	-69.3	173.2	32.6	0	0	113.6	D521 V523	D521-Q525 WeakPolarHBondContact O-CG 3.5Å; D521-Q525 PolarHBondContact O-N 2.7Å; D521-Q525 PolarHBondContact OD1-NE2 3.41Å; D521-Q525 PolarHBondContact OD2-NE2 3.26Å; V523-Q525 VanDerWaalsContact C-N 3.27Å; V523-Q525 PolarHBondContact O-N 2.72Å
526	M	90.8	Very high	89.7	Confident	26 Å²	26	42.7 Å²	42.7	13%	0.128	21%	0.206	C	C	.	.	H	α-helix	trans	-91	-25.1	-177.7	-58.1	-61.6	154.7	0	0	113.6	K494 M497 L498 I504 L522 V523 R532	K494-M526 HydrophobicContact CB-CE 4.21Å; K494-M526 HydrophobicContact CD-CE 3.73Å; K494-M526 HydrophobicContact CG-CE 3.62Å; K494-M526 HydrophobicContact CG-SD 4.37Å; M497-M526 HydrophobicContact CB-CB 4.15Å; M497-M526 HydrophobicContact CB-CG 3.83Å; M497-M526 HydrophobicContact CE-CB 4.11Å; M497-M526 HydrophobicContact CE-CG 3.9Å; L498-M526 HydrophobicContact CD2-SD 4.13Å; L498-M526 HydrophobicContact CG-SD 4.28Å; I504-M526 HydrophobicContact CD1-CB 4.17Å; L522-M526 HydrophobicContact CD1-CE 3.8Å; L522-M526 VanDerWaalsContact O-CG 3.27Å; L522-M526 WeakPolarHBondContact O-CG 3.44Å; L522-M526 PolarHBondContact O-N 3.28Å; V523-M526 PolarHBondContact O-N 2.88Å; V523-M526 VanDerWaalsContact O-N 3.1Å; M526-R532 PolarHBondContact O-NH2 2.96Å
527	D	92.3	Very high	90.1	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	18%	0.175	C	C	.	.			trans	-141.6	71.9	175.1	-174.9	14.4	0	0	0	112.1	I504 V523 Q529 G530 R531 R532 T533	I504-D527 HydrophobicContact CD1-CB 4.24Å; V523-D527 PolarHBondContact O-N 3.22Å; D527-Q529 PolarHBondContact O-N 3.02Å; D527-G530 VanDerWaalsContact CG-CA 3.49Å; D527-G530 VanDerWaalsContact CG-N 3.35Å; D527-G530 PolarHBondContact O-N 3.37Å; D527-G530 VanDerWaalsContact O-N 3.07Å; D527-G530 WeakPolarHBondContact OD1-CA 3.26Å; D527-G530 PolarHBondContact OD1-N 2.91Å; D527-G530 WeakPolarHBondContact OD2-CA 3.31Å; D527-R531 VanDerWaalsContact CG-N 3.35Å; D527-R531 WeakPolarHBondContact OD1-CG 3.34Å; D527-R531 PolarHBondContact OD1-N 3.34Å; D527-R531 PolarHBondContact OD2-N 2.98Å; D527-R532 HydrophobicContact CB-CG 4.3Å; D527-R532 WeakPolarHBondContact OD2-CG 3.34Å; D527-R532 PolarHBondContact OD2-N 3.25Å; D527-T533 WeakPolarHBondContact CB-OG1 3.29Å; D527-T533 WeakPolarHBondContact OD2-CB 3.47Å; D527-T533 PolarHBondContact OD2-N 3.37Å; D527-T533 PolarHBondContact OD2-OG1 3.2Å
528	P	90.1	Very high	90.7	Very high	87 Å²	87	33.6 Å²	33.6	57%	0.565	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.5	-179.9	-19.5	28.5	0	0	0	114.6	S524	S524-P528 VanDerWaalsContact O-CA 3.31Å; S524-P528 WeakPolarHBondContact O-CA 3.35Å; S524-P528 WeakPolarHBondContact O-CD 3.05Å; S524-P528 VanDerWaalsContact O-CG 3.24Å; S524-P528 WeakPolarHBondContact O-CG 3.48Å
529	Q	89.8	Confident	90.9	Very high	146 Å²	146	33.6 Å²	33.6	68%	0.682	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-18.1	-179.8	-65.6	-174.5	-5.9	0	0	112.8	D527 R531 K565	D527-Q529 PolarHBondContact O-N 3.02Å; Q529-R531 VanDerWaalsContact C-N 3.3Å; Q529-K565 WeakPolarHBondContact O-CB 3.24Å; Q529-K565 WeakPolarHBondContact O-CD 3.44Å
530	G	89.9	Confident	90.8	Very high	4 Å²	4	33.6 Å²	33.6	4%	0.041	17%	0.168	C	C	.	.			trans	71.9	21.4	-173.7	0	0	0	0	0	114	D527 R532 K565 L567	D527-G530 VanDerWaalsContact CG-CA 3.49Å; D527-G530 VanDerWaalsContact CG-N 3.35Å; D527-G530 PolarHBondContact O-N 3.37Å; D527-G530 VanDerWaalsContact O-N 3.07Å; D527-G530 WeakPolarHBondContact OD1-CA 3.26Å; D527-G530 PolarHBondContact OD1-N 2.91Å; D527-G530 WeakPolarHBondContact OD2-CA 3.31Å; G530-R532 PolarHBondContact O-N 3.42Å; G530-K565 VanDerWaalsContact CA-C 3.44Å; G530-K565 WeakPolarHBondContact CA-O 3.42Å; G530-L567 WeakPolarHBondContact O-CG 3.22Å; G530-L567 PolarHBondContact O-N 3.22Å
531	R	90.6	Very high	90.9	Very high	118 Å²	118	33.3 Å²	33.3	45%	0.445	17%	0.165	S	C	.	.	S	Bend	trans	-72.9	-13.4	-171.8	69.6	173.6	178.9	78.9	5.6	114.2	P500 D527 Q529	P500-R531 PolarHBondContact O-NH1 2.82Å; P500-R531 PolarHBondContact O-NH2 3.45Å; D527-R531 VanDerWaalsContact CG-N 3.35Å; D527-R531 WeakPolarHBondContact OD1-CG 3.34Å; D527-R531 PolarHBondContact OD1-N 3.34Å; D527-R531 PolarHBondContact OD2-N 2.98Å; Q529-R531 VanDerWaalsContact C-N 3.3Å
532	R	92.1	Very high	90.8	Very high	6 Å²	6	31.9 Å²	31.9	2%	0.023	16%	0.158	C	C	.	.	S	Bend	trans	-144	12.2	-175.8	64.2	-170.3	179.8	108.3	-5.8	113	M497 N499 P500 A502 I503 I504 M526 D527 G530 M626	M497-R532 VanDerWaalsContact O-CZ 3.3Å; M497-R532 PolarHBondContact O-NH1 2.83Å; M497-R532 PolarHBondContact O-NH2 2.96Å; N499-R532 PolarHBondContact O-NH1 3.08Å; P500-R532 WeakPolarHBondContact O-CD 3.45Å; A502-R532 WeakPolarHBondContact O-CD 3.43Å; A502-R532 PolarHBondContact O-NH1 3.08Å; I503-R532 CarbonylContact C-O 3.49Å; I503-R532 WeakPolarHBondContact CA-O 3.49Å; I504-R532 PolarHBondContact N-O 2.83Å; M526-R532 PolarHBondContact O-NH2 2.96Å; D527-R532 HydrophobicContact CB-CG 4.3Å; D527-R532 WeakPolarHBondContact OD2-CG 3.34Å; D527-R532 PolarHBondContact OD2-N 3.25Å; G530-R532 PolarHBondContact O-N 3.42Å; R532-M626 HydrophobicContact CB-CE 3.97Å; R532-M626 HydrophobicContact CB-SD 4.46Å
533	T	94.3	Very high	90.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.5	-177.5	-59.4	0	0	0	0	110.2	I504 C506 V523 D527 M564 A566 L567	I504-T533 HydrophobicContact CB-CG2 4.33Å; I504-T533 HydrophobicContact CG2-CG2 4.29Å; I504-T533 CarbonylContact O-C 3.57Å; I504-T533 WeakPolarHBondContact O-CA 3.13Å; C506-T533 HydrophobicContact CB-CG2 4.28Å; V523-T533 HydrophobicContact CG1-CG2 3.66Å; D527-T533 WeakPolarHBondContact CB-OG1 3.29Å; D527-T533 WeakPolarHBondContact OD2-CB 3.47Å; D527-T533 PolarHBondContact OD2-N 3.37Å; D527-T533 PolarHBondContact OD2-OG1 3.2Å; T533-M564 HydrophobicContact CG2-CE 3.7Å; T533-A566 HydrophobicContact CG2-CB 4.26Å; T533-A566 CarbonylContact O-C 3.6Å; T533-A566 VanDerWaalsContact O-CA 3.26Å; T533-A566 WeakPolarHBondContact O-CA 3.45Å; T533-A566 WeakPolarHBondContact O-CB 3.41Å; T533-L567 PolarHBondContact O-N 3.3Å
534	I	94.4	Very high	89.9	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.4	170.3	-65.2	172.1	0	0	0	107.2	I503 I504 L505 C506 L567 F570 L615 V619 C622	I503-I534 HydrophobicContact CG2-CD1 4.16Å; I504-I534 PolarHBondContact O-N 2.86Å; L505-I534 HydrophobicContact CD1-CB 4.04Å; L505-I534 HydrophobicContact CD1-CG2 3.89Å; C506-I534 PolarHBondContact N-O 3.31Å; I534-L567 HydrophobicContact CG1-CB 4.47Å; I534-F570 HydrophobicContact CG2-CD2 3.81Å; I534-F570 HydrophobicContact CG2-CE2 3.87Å; I534-L615 HydrophobicContact CG2-CD1 3.93Å; I534-V619 HydrophobicContact CD1-CG2 3.82Å; I534-V619 HydrophobicContact CG2-CG2 4.5Å; I534-C622 HydrophobicContact CD1-CB 4.19Å
535	F	94.1	Very high	89.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.2	-177.8	-176.2	-85	0	0	0	111.1	C506 Q508 L537 I556 F562 M564 A566 G568 Y569 F570	C506-F535 HydrophobicContact CB-CD2 4.43Å; C506-F535 WeakPolarHBondContact O-CA 3.39Å; Q508-F535 HydrophobicContact CB-CE1 4.29Å; Q508-F535 HydrophobicContact CB-CE2 3.93Å; Q508-F535 HydrophobicContact CB-CZ 3.54Å; Q508-F535 HydrophobicContact CG-CE2 4.36Å; Q508-F535 HydrophobicContact CG-CZ 3.87Å; F535-L537 HydrophobicContact CE1-CB 4.12Å; F535-L537 HydrophobicContact CE1-CD1 4.24Å; F535-L537 HydrophobicContact CZ-CD1 4.42Å; F535-I556 HydrophobicContact CE1-CG2 3.54Å; F535-I556 HydrophobicContact CZ-CG2 3.88Å; F535-F562 HydrophobicContact CE2-CD2 4.08Å; F535-F562 HydrophobicContact CE2-CE2 4.05Å; F535-F562 AromaticContact CZ-CD2 3.95Å; F535-F562 HydrophobicContact CZ-CD2 3.95Å; F535-F562 AromaticContact CZ-CE2 3.61Å; F535-F562 HydrophobicContact CZ-CE2 3.61Å; F535-F562 HydrophobicContact CZ-CZ 4.41Å; F535-M564 HydrophobicContact CD2-CE 3.88Å; F535-M564 HydrophobicContact CD2-SD 3.84Å; F535-M564 HydrophobicContact CE2-SD 4.12Å; F535-A566 HydrophobicContact CB-CB 3.99Å; F535-G568 PolarHBondContact N-O 3.45Å; F535-Y569 HydrophobicContact CB-CD1 3.57Å; F535-Y569 HydrophobicContact CB-CE1 3.82Å; F535-Y569 HydrophobicContact CB-CG 4.22Å; F535-Y569 AromaticContact CD1-CD1 3.52Å; F535-Y569 HydrophobicContact CD1-CD1 3.52Å; F535-Y569 HydrophobicContact CD1-CE1 4.14Å; F535-Y569 HydrophobicContact CD1-CG 4.49Å; F535-Y569 HydrophobicContact CD2-CE1 4.44Å; F535-Y569 HydrophobicContact CE1-CD1 4.36Å; F535-Y569 AromaticContact CG-CD1 3.65Å; F535-Y569 HydrophobicContact CG-CD1 3.65Å; F535-Y569 AromaticContact CG-CE1 3.88Å; F535-Y569 HydrophobicContact CG-CE1 3.88Å; F535-Y569 WeakPolarHBondContact O-CA 3.45Å; F535-F570 PolarHBondContact O-N 3.12Å
536	V	93.9	Very high	88.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	117.4	-176.8	-176.6	0	0	0	0	109.9	V375 L505 C506 I507 Q508 T538 V572 L615	V375-V536 HydrophobicContact CG2-CG1 4.39Å; L505-V536 HydrophobicContact CD1-CG2 3.6Å; L505-V536 HydrophobicContact CG-CG2 4.26Å; C506-V536 PolarHBondContact O-N 3.03Å; I507-V536 HydrophobicContact CG1-CB 4.18Å; I507-V536 HydrophobicContact CG1-CG2 4.48Å; Q508-V536 PolarHBondContact N-O 2.96Å; V536-T538 HydrophobicContact CG1-CG2 4.34Å; V536-V572 HydrophobicContact CG1-CG1 4.26Å; V536-V572 HydrophobicContact CG1-CG2 3.49Å; V536-V572 VanDerWaalsContact CG1-CG2 3.49Å; V536-L615 HydrophobicContact CB-CD2 4.41Å; V536-L615 HydrophobicContact CG1-CD2 3.79Å; V536-L615 HydrophobicContact CG2-CD1 3.64Å; V536-L615 HydrophobicContact CG2-CD2 3.65Å; V536-L615 HydrophobicContact CG2-CG 4.31Å
537	L	91.7	Very high	87.2	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.7	173.8	-163.6	65.9	0	0	0	109.8	Q508 F535 V540 I553 I556 V557 F570 V572	Q508-L537 HydrophobicContact CB-CD1 4.09Å; Q508-L537 HydrophobicContact CG-CD1 4.03Å; F535-L537 HydrophobicContact CE1-CB 4.12Å; F535-L537 HydrophobicContact CE1-CD1 4.24Å; F535-L537 HydrophobicContact CZ-CD1 4.42Å; L537-V540 HydrophobicContact CB-CG2 4.3Å; L537-V540 HydrophobicContact CD2-CG2 4.12Å; L537-V540 HydrophobicContact CG-CG2 4.05Å; L537-V540 WeakPolarHBondContact O-CG2 3.5Å; L537-I553 HydrophobicContact CD2-CG2 4.05Å; L537-I556 HydrophobicContact CD1-CG2 4.08Å; L537-I556 HydrophobicContact CD2-CB 4.49Å; L537-I556 HydrophobicContact CD2-CG2 3.96Å; L537-I556 HydrophobicContact CG-CG2 4.5Å; L537-V557 HydrophobicContact CD2-CG2 4.47Å; L537-F570 PolarHBondContact N-O 2.98Å; L537-V572 PolarHBondContact O-N 3.49Å
538	T	91.8	Very high	85.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	167.9	178.5	68.3	0	0	0	0	111.8	A370 V375 I507 Q508 G510 V536 V540 V572	A370-T538 PolarHBondContact O-OG1 2.88Å; V375-T538 HydrophobicContact CG2-CG2 3.84Å; I507-T538 HydrophobicContact CG2-CG2 3.57Å; Q508-T538 PolarHBondContact O-N 3.41Å; Q508-T538 PolarHBondContact O-OG1 2.85Å; G510-T538 WeakPolarHBondContact CA-O 3.43Å; G510-T538 PolarHBondContact N-O 3.32Å; V536-T538 HydrophobicContact CG1-CG2 4.34Å; T538-V540 PolarHBondContact O-N 2.92Å; T538-V540 VanDerWaalsContact O-N 3.17Å; T538-V572 WeakPolarHBondContact CA-O 3.26Å; T538-V572 HydrophobicContact CG2-CG2 3.9Å
539	K	88.5	Confident	84.4	Confident	54 Å²	54	44.7 Å²	44.7	24%	0.235	23%	0.226	C	C	.	.			trans	56	32.4	173.8	-49.4	-176.7	-158.6	165.5	0	114	S369 D509 D541 L542 A543 V572	S369-K539 PolarHBondContact O-NZ 3.28Å; D509-K539 WeakPolarHBondContact OD2-CE 3.44Å; D509-K539 IonicContact OD2-NZ 2.64Å; D509-K539 PolarHBondContact OD2-NZ 2.65Å; K539-D541 WeakPolarHBondContact CA-OD1 3.23Å; K539-D541 PolarHBondContact O-N 3.44Å; K539-L542 HydrophobicContact CB-CB 4.43Å; K539-L542 HydrophobicContact CB-CD1 4.22Å; K539-L542 HydrophobicContact CB-CG 4.38Å; K539-L542 HydrophobicContact CD-CD1 4.21Å; K539-L542 WeakPolarHBondContact O-CB 3.39Å; K539-L542 PolarHBondContact O-N 2.76Å; K539-A543 PolarHBondContact O-N 2.87Å; K539-V572 PolarHBondContact N-O 2.92Å
540	V	88	Confident	83.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-26	-178.9	-175.4	0	0	0	0	111.4	L537 T538 A543 E544 I553 A571 F593 L599	L537-V540 HydrophobicContact CB-CG2 4.3Å; L537-V540 HydrophobicContact CD2-CG2 4.12Å; L537-V540 HydrophobicContact CG-CG2 4.05Å; L537-V540 WeakPolarHBondContact O-CG2 3.5Å; T538-V540 PolarHBondContact O-N 2.92Å; T538-V540 VanDerWaalsContact O-N 3.17Å; V540-A543 WeakPolarHBondContact O-CB 3.34Å; V540-A543 PolarHBondContact O-N 2.74Å; V540-E544 PolarHBondContact O-N 2.9Å; V540-I553 HydrophobicContact CG1-CG2 4.23Å; V540-A571 HydrophobicContact CG2-CB 4.11Å; V540-F593 HydrophobicContact CB-CE1 4.46Å; V540-F593 HydrophobicContact CG1-CE1 4.4Å; V540-L599 HydrophobicContact CG1-CD1 3.61Å
541	D	87.2	Confident	82.9	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-40.8	171.1	72.7	-62.6	0	0	0	112.5	K539 K545 V573 F593	K539-D541 WeakPolarHBondContact CA-OD1 3.23Å; K539-D541 PolarHBondContact O-N 3.44Å; D541-K545 WeakPolarHBondContact O-CB 3.31Å; D541-K545 WeakPolarHBondContact O-CD 3.27Å; D541-K545 WeakPolarHBondContact O-CG 3.36Å; D541-K545 PolarHBondContact O-N 3.04Å; D541-K545 IonicContact OD2-NZ 2.64Å; D541-K545 PolarHBondContact OD2-NZ 3.38Å; D541-V573 HydrophobicContact CB-CG1 4.22Å; D541-V573 HydrophobicContact CB-CG2 4.18Å; D541-F593 HydrophobicContact CB-CD2 3.95Å; D541-F593 HydrophobicContact CB-CE1 4.43Å; D541-F593 HydrophobicContact CB-CE2 3.81Å; D541-F593 HydrophobicContact CB-CG 4.35Å; D541-F593 HydrophobicContact CB-CZ 4.06Å
542	L	85.3	Confident	82.4	Confident	63 Å²	63	41.1 Å²	41.1	33%	0.33	22%	0.223	S	C	.	.	H	α-helix	trans	-70.7	-34.9	174.9	-61.3	-174.7	0	0	0	111.1	K539 K545 N546	K539-L542 HydrophobicContact CB-CB 4.43Å; K539-L542 HydrophobicContact CB-CD1 4.22Å; K539-L542 HydrophobicContact CB-CG 4.38Å; K539-L542 HydrophobicContact CD-CD1 4.21Å; K539-L542 WeakPolarHBondContact O-CB 3.39Å; K539-L542 PolarHBondContact O-N 2.76Å; L542-K545 HydrophobicContact CD2-CD 4.24Å; L542-K545 PolarHBondContact O-N 2.74Å; L542-N546 WeakPolarHBondContact O-CB 3.27Å; L542-N546 PolarHBondContact O-N 2.76Å; L542-N546 PolarHBondContact O-ND2 3.5Å
543	A	82.6	Confident	81.9	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-46.3	175.2	0	0	0	0	0	111.9	G510 K539 V540 A548 I553	G510-A543 VanDerWaalsContact O-CB 3.29Å; G510-A543 WeakPolarHBondContact O-CB 3.32Å; K539-A543 PolarHBondContact O-N 2.87Å; V540-A543 WeakPolarHBondContact O-CB 3.34Å; V540-A543 PolarHBondContact O-N 2.74Å; A543-A548 WeakPolarHBondContact O-CB 3.34Å; A543-A548 PolarHBondContact O-N 2.92Å; A543-I553 HydrophobicContact CB-CD1 3.71Å; A543-I553 HydrophobicContact CB-CG1 4.48Å
544	E	80.5	Confident	81.3	Confident	50 Å²	50	43.8 Å²	43.8	23%	0.234	24%	0.235	C	C	.	.	H	α-helix	trans	-68	-40.7	176.8	-169.7	171.1	-170.4	0	0	111.9	V540 L547 F593 S597 R598	V540-E544 PolarHBondContact O-N 2.9Å; E544-L547 PolarHBondContact O-N 2.9Å; E544-F593 VanDerWaalsContact OE2-CE2 3.32Å; E544-F593 WeakPolarHBondContact OE2-CE2 3.47Å; E544-F593 VanDerWaalsContact OE2-CZ 3.25Å; E544-F593 WeakPolarHBondContact OE2-CZ 3.42Å; E544-S597 PolarHBondContact OE1-OG 3.32Å; E544-S597 VanDerWaalsContact OE2-CB 3.29Å; E544-S597 WeakPolarHBondContact OE2-CB 3.41Å; E544-S597 PolarHBondContact OE2-OG 2.85Å; E544-R598 WeakPolarHBondContact OE1-CB 3.34Å; E544-R598 PolarHBondContact OE1-N 2.99Å
545	K	80.9	Confident	80.9	Confident	109 Å²	109	47.5 Å²	47.5	47%	0.474	25%	0.253	S	S	.	.	H	α-helix	trans	-62.9	-40.7	175.5	-71.4	160.6	-164.1	169.1	0	112.9	D541 L542 L547 Y589	D541-K545 WeakPolarHBondContact O-CB 3.31Å; D541-K545 WeakPolarHBondContact O-CD 3.27Å; D541-K545 WeakPolarHBondContact O-CG 3.36Å; D541-K545 PolarHBondContact O-N 3.04Å; D541-K545 IonicContact OD2-NZ 2.64Å; D541-K545 PolarHBondContact OD2-NZ 3.38Å; L542-K545 HydrophobicContact CD2-CD 4.24Å; L542-K545 PolarHBondContact O-N 2.74Å; K545-L547 PolarHBondContact O-N 3.4Å; K545-Y589 PolarHBondContact NZ-OH 3.09Å
546	N	72.7	Confident	80.5	Confident	115 Å²	115	48.2 Å²	48.2	62%	0.615	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	12.5	-175.6	-67	-17.5	0	0	0	113.8	L542 A548	L542-N546 WeakPolarHBondContact O-CB 3.27Å; L542-N546 PolarHBondContact O-N 2.76Å; L542-N546 PolarHBondContact O-ND2 3.5Å; N546-A548 PolarHBondContact O-N 2.63Å; N546-A548 VanDerWaalsContact O-N 3.14Å
547	L	60.4	Low	79.9	Confident	161 Å²	161	48.5 Å²	48.5	84%	0.843	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	25.6	179.5	-74.8	157.9	0	0	0	114.3	E544 K545 S549	E544-L547 PolarHBondContact O-N 2.9Å; K545-L547 PolarHBondContact O-N 3.4Å; L547-S549 PolarHBondContact O-N 2.93Å
548	A	59.7	Low	79.6	Confident	44 Å²	44	52 Å²	52	36%	0.364	27%	0.274	S	S	.	.			trans	-61.3	123.8	166.9	0	0	0	0	0	108.2	A543 N546 P550	A543-A548 WeakPolarHBondContact O-CB 3.34Å; A543-A548 PolarHBondContact O-N 2.92Å; N546-A548 PolarHBondContact O-N 2.63Å; N546-A548 VanDerWaalsContact O-N 3.14Å; A548-P550 VanDerWaalsContact O-N 3.12Å
549	S	64.1	Low	79.2	Confident	58 Å²	58	53.1 Å²	53.1	41%	0.406	29%	0.286	S	S	.	.			trans	-49.8	119	-169.6	50.9	0	0	0	0	112	L547 S551 R552	L547-S549 PolarHBondContact O-N 2.93Å; S549-S551 PolarHBondContact O-N 3.38Å; S549-S551 VanDerWaalsContact O-N 3.17Å; S549-R552 WeakPolarHBondContact O-CA 3.49Å; S549-R552 VanDerWaalsContact O-CB 3.22Å; S549-R552 WeakPolarHBondContact O-CB 3.43Å; S549-R552 PolarHBondContact O-N 3.13Å; S549-R552 WeakPolarHBondContact OG-CB 3.23Å
550	P	71.8	Confident	79	Confident	66 Å²	66	59.1 Å²	59.1	43%	0.429	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-26.5	-170.1	22.7	-33.3	0	0	0	112.8	A548 R552 I553 Q554 L599 M604	A548-P550 VanDerWaalsContact O-N 3.12Å; P550-R552 PolarHBondContact O-N 2.73Å; P550-I553 WeakPolarHBondContact O-CB 3.39Å; P550-I553 PolarHBondContact O-N 2.71Å; P550-Q554 PolarHBondContact O-N 2.97Å; P550-L599 HydrophobicContact CB-CD2 3.66Å; P550-M604 HydrophobicContact CB-CE 4.16Å; P550-M604 HydrophobicContact CB-SD 4.2Å
551	S	77.4	Confident	78.8	Confident	58 Å²	58	61.3 Å²	61.3	41%	0.406	32%	0.319	S	S	.	.	H	α-helix	trans	-58.6	-28.2	169.5	50.9	0	0	0	0	113.6	S549 Q555	S549-S551 PolarHBondContact O-N 3.38Å; S549-S551 VanDerWaalsContact O-N 3.17Å; S551-Q555 VanDerWaalsContact O-CG 3.26Å; S551-Q555 WeakPolarHBondContact O-CG 3.47Å; S551-Q555 PolarHBondContact O-N 2.72Å
552	R	79.6	Confident	78.6	Confident	69 Å²	69	61.9 Å²	61.9	26%	0.26	32%	0.321	S	S	.	.	H	α-helix	trans	-78.2	-35.6	176.1	-169.6	175.2	176	85.2	-6.4	111.9	E515 S549 P550 Q554 Q555 I556 L561	E515-R552 IonicContact OE1-CZ 3.71Å; E515-R552 IonicContact OE1-NH1 3.83Å; E515-R552 IonicContact OE1-NH2 2.68Å; E515-R552 PolarHBondContact OE1-NH2 2.88Å; E515-R552 IonicContact OE2-CZ 3.99Å; E515-R552 IonicContact OE2-NH2 2.71Å; E515-R552 PolarHBondContact OE2-NH2 2.7Å; S549-R552 WeakPolarHBondContact O-CA 3.49Å; S549-R552 VanDerWaalsContact O-CB 3.22Å; S549-R552 WeakPolarHBondContact O-CB 3.43Å; S549-R552 PolarHBondContact O-N 3.13Å; S549-R552 WeakPolarHBondContact OG-CB 3.23Å; P550-R552 PolarHBondContact O-N 2.73Å; R552-Q554 VanDerWaalsContact C-N 3.32Å; R552-Q555 PolarHBondContact O-N 2.99Å; R552-I556 WeakPolarHBondContact O-CG1 3.32Å; R552-I556 PolarHBondContact O-N 2.98Å; R552-L561 HydrophobicContact CG-CD2 3.91Å
553	I	80.9	Confident	78.4	Confident	8 Å²	8	64 Å²	64	4%	0.041	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-43.8	170.5	-56.9	175.8	0	0	0	109.4	L537 V540 A543 P550 I556 V557 L599	L537-I553 HydrophobicContact CD2-CG2 4.05Å; V540-I553 HydrophobicContact CG1-CG2 4.23Å; A543-I553 HydrophobicContact CB-CD1 3.71Å; A543-I553 HydrophobicContact CB-CG1 4.48Å; P550-I553 WeakPolarHBondContact O-CB 3.39Å; P550-I553 PolarHBondContact O-N 2.71Å; I553-I556 WeakPolarHBondContact O-CB 3.45Å; I553-I556 PolarHBondContact O-N 2.75Å; I553-V557 PolarHBondContact O-N 3.31Å; I553-L599 HydrophobicContact CB-CD2 4.39Å; I553-L599 HydrophobicContact CD1-CD1 4.09Å; I553-L599 HydrophobicContact CD1-CD2 4.32Å; I553-L599 HydrophobicContact CG2-CD1 4.19Å; I553-L599 HydrophobicContact CG2-CD2 4.45Å
554	Q	82.2	Confident	78.5	Confident	53 Å²	53	64.3 Å²	64.3	25%	0.248	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-49.1	171	-179.1	-179.8	-2.2	0	0	112	P550 R552 I556 V557 E558 M604	P550-Q554 PolarHBondContact O-N 2.97Å; R552-Q554 VanDerWaalsContact C-N 3.32Å; Q554-I556 PolarHBondContact O-N 3.01Å; Q554-V557 PolarHBondContact O-N 3.35Å; Q554-V557 VanDerWaalsContact O-N 3.1Å; Q554-E558 HydrophobicContact CG-CG 4.02Å; Q554-E558 PolarHBondContact NE2-OE1 3.07Å; Q554-E558 WeakPolarHBondContact O-CB 3.4Å; Q554-E558 WeakPolarHBondContact O-CG 3.26Å; Q554-E558 PolarHBondContact O-N 3.41Å; Q554-M604 HydrophobicContact CB-CB 4.37Å; Q554-M604 HydrophobicContact CB-CE 4.13Å; Q554-M604 HydrophobicContact CG-CB 4.48Å
555	Q	85.1	Confident	78.8	Confident	82 Å²	82	67.8 Å²	67.8	38%	0.383	35%	0.354	S	S	.	.	H	α-helix	trans	-60.4	-28.2	177.7	-75.3	169	0.6	0	0	113.9	S551 R552 R560 L561	S551-Q555 VanDerWaalsContact O-CG 3.26Å; S551-Q555 WeakPolarHBondContact O-CG 3.47Å; S551-Q555 PolarHBondContact O-N 2.72Å; R552-Q555 PolarHBondContact O-N 2.99Å; Q555-R560 PolarHBondContact O-N 2.87Å; Q555-L561 HydrophobicContact CB-CB 4.3Å; Q555-L561 PolarHBondContact O-N 3.49Å; Q555-L561 VanDerWaalsContact O-N 3.1Å
556	I	85.8	Confident	79.3	Confident	15 Å²	15	63.5 Å²	63.5	8%	0.077	34%	0.339	C	S	.	.	H	α-helix	trans	-70.2	-50.3	171.8	-70	163.9	0	0	0	110.4	F535 L537 R552 I553 Q554 E558 G559 L561 F562 Y569	F535-I556 HydrophobicContact CE1-CG2 3.54Å; F535-I556 HydrophobicContact CZ-CG2 3.88Å; L537-I556 HydrophobicContact CD1-CG2 4.08Å; L537-I556 HydrophobicContact CD2-CB 4.49Å; L537-I556 HydrophobicContact CD2-CG2 3.96Å; L537-I556 HydrophobicContact CG-CG2 4.5Å; R552-I556 WeakPolarHBondContact O-CG1 3.32Å; R552-I556 PolarHBondContact O-N 2.98Å; I553-I556 WeakPolarHBondContact O-CB 3.45Å; I553-I556 PolarHBondContact O-N 2.75Å; Q554-I556 PolarHBondContact O-N 3.01Å; I556-E558 VanDerWaalsContact C-N 3.32Å; I556-E558 PolarHBondContact O-N 2.97Å; I556-G559 PolarHBondContact O-N 3.19Å; I556-L561 HydrophobicContact CD1-CD2 3.89Å; I556-L561 HydrophobicContact CG1-CB 4.02Å; I556-L561 HydrophobicContact CG1-CD2 3.49Å; I556-L561 VanDerWaalsContact CG1-CD2 3.49Å; I556-L561 HydrophobicContact CG1-CG 4.39Å; I556-F562 HydrophobicContact CB-CE2 4.45Å; I556-F562 HydrophobicContact CD1-CE2 4.32Å; I556-F562 HydrophobicContact CG1-CD2 4.37Å; I556-F562 HydrophobicContact CG1-CE2 3.9Å; I556-F562 HydrophobicContact CG2-CD2 4.24Å; I556-F562 HydrophobicContact CG2-CE2 3.85Å; I556-Y569 WeakPolarHBondContact O-CD1 3.5Å
557	V	82.3	Confident	80	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-75.9	-18.7	-176.5	179.8	0	0	0	0	113.1	L537 I553 Q554 G559 Y569 L605 Q609	L537-V557 HydrophobicContact CD2-CG2 4.47Å; I553-V557 PolarHBondContact O-N 3.31Å; Q554-V557 PolarHBondContact O-N 3.35Å; Q554-V557 VanDerWaalsContact O-N 3.1Å; V557-G559 VanDerWaalsContact C-N 3.28Å; V557-Y569 VanDerWaalsContact O-CB 3.27Å; V557-Y569 WeakPolarHBondContact O-CB 3.43Å; V557-L605 HydrophobicContact CB-CD2 3.74Å; V557-L605 HydrophobicContact CG1-CD2 3.77Å; V557-L605 HydrophobicContact CG2-CD2 3.82Å; V557-Q609 HydrophobicContact CG1-CB 4.44Å; V557-Q609 VanDerWaalsContact CG1-NE2 3.26Å
558	E	84.1	Confident	81.4	Confident	76 Å²	76	55.8 Å²	55.8	36%	0.355	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.6	166	-70.7	-179.6	158	0	0	113.4	Q554 I556 R560	Q554-E558 HydrophobicContact CG-CG 4.02Å; Q554-E558 PolarHBondContact NE2-OE1 3.07Å; Q554-E558 WeakPolarHBondContact O-CB 3.4Å; Q554-E558 WeakPolarHBondContact O-CG 3.26Å; Q554-E558 PolarHBondContact O-N 3.41Å; I556-E558 VanDerWaalsContact C-N 3.32Å; I556-E558 PolarHBondContact O-N 2.97Å; E558-R560 VanDerWaalsContact C-N 3.33Å; E558-R560 HydrophobicContact CB-CG 4.08Å; E558-R560 PolarHBondContact O-N 3.36Å; E558-R560 IonicContact OE1-NH1 3.98Å; E558-R560 WeakPolarHBondContact OE2-CD 3.31Å; E558-R560 IonicContact OE2-CZ 3.49Å; E558-R560 IonicContact OE2-NE 2.66Å; E558-R560 PolarHBondContact OE2-NE 2.91Å; E558-R560 IonicContact OE2-NH1 3.63Å; E558-R560 PolarHBondContact OE2-NH1 3.01Å; E558-R560 IonicContact OE2-NH2 3.15Å
559	G	83.4	Confident	82.9	Confident	24 Å²	24	55 Å²	55	25%	0.247	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	29	-179.2	0	0	0	0	0	114.4	I556 V557 Y569	I556-G559 PolarHBondContact O-N 3.19Å; V557-G559 VanDerWaalsContact C-N 3.28Å; G559-Y569 WeakPolarHBondContact CA-OH 3.02Å
560	R	85	Confident	84.3	Confident	180 Å²	180	53 Å²	53	68%	0.679	28%	0.275	S	S	*	.			trans	-102	-24.3	-177	-65.4	-179.6	-178.7	159.2	-0.4	114.1	Q555 E558	Q555-R560 PolarHBondContact O-N 2.87Å; E558-R560 VanDerWaalsContact C-N 3.33Å; E558-R560 HydrophobicContact CB-CG 4.08Å; E558-R560 PolarHBondContact O-N 3.36Å; E558-R560 IonicContact OE1-NH1 3.98Å; E558-R560 WeakPolarHBondContact OE2-CD 3.31Å; E558-R560 IonicContact OE2-CZ 3.49Å; E558-R560 IonicContact OE2-NE 2.66Å; E558-R560 PolarHBondContact OE2-NE 2.91Å; E558-R560 IonicContact OE2-NH1 3.63Å; E558-R560 PolarHBondContact OE2-NH1 3.01Å; E558-R560 IonicContact OE2-NH2 3.15Å
561	L	84.6	Confident	85.2	Confident	45 Å²	45	49.9 Å²	49.9	24%	0.236	25%	0.254	C	S	.	.	S	Bend	trans	-83.7	-43.1	-176.4	-169.1	69.3	0	0	0	113.5	A514 R552 Q555 I556	A514-L561 HydrophobicContact CB-CD2 3.64Å; A514-L561 HydrophobicContact CB-CG 4.45Å; R552-L561 HydrophobicContact CG-CD2 3.91Å; Q555-L561 HydrophobicContact CB-CB 4.3Å; Q555-L561 PolarHBondContact O-N 3.49Å; Q555-L561 VanDerWaalsContact O-N 3.1Å; I556-L561 HydrophobicContact CD1-CD2 3.89Å; I556-L561 HydrophobicContact CG1-CB 4.02Å; I556-L561 HydrophobicContact CG1-CD2 3.49Å; I556-L561 VanDerWaalsContact CG1-CD2 3.49Å; I556-L561 HydrophobicContact CG1-CG 4.39Å
562	F	82.5	Confident	86	Confident	16 Å²	16	47.1 Å²	47.1	7%	0.07	24%	0.235	C	C	.	.	S	Bend	trans	-89.3	143.2	-177.4	-70.1	-75.9	0	0	0	111.9	Q508 A514 T520 F535 I556 M564	Q508-F562 HydrophobicContact CG-CE2 4.45Å; Q508-F562 HydrophobicContact CG-CZ 4.04Å; A514-F562 HydrophobicContact CB-CD1 4.46Å; A514-F562 HydrophobicContact CB-CE1 3.58Å; A514-F562 HydrophobicContact CB-CE2 4.28Å; A514-F562 HydrophobicContact CB-CZ 3.47Å; A514-F562 VanDerWaalsContact CB-CZ 3.47Å; A514-F562 WeakPolarHBondContact O-CE1 3.47Å; T520-F562 HydrophobicContact CG2-CD1 3.8Å; T520-F562 HydrophobicContact CG2-CE1 3.88Å; T520-F562 HydrophobicContact CG2-CG 4.42Å; F535-F562 HydrophobicContact CE2-CD2 4.08Å; F535-F562 HydrophobicContact CE2-CE2 4.05Å; F535-F562 AromaticContact CZ-CD2 3.95Å; F535-F562 HydrophobicContact CZ-CD2 3.95Å; F535-F562 AromaticContact CZ-CE2 3.61Å; F535-F562 HydrophobicContact CZ-CE2 3.61Å; F535-F562 HydrophobicContact CZ-CZ 4.41Å; I556-F562 HydrophobicContact CB-CE2 4.45Å; I556-F562 HydrophobicContact CD1-CE2 4.32Å; I556-F562 HydrophobicContact CG1-CD2 4.37Å; I556-F562 HydrophobicContact CG1-CE2 3.9Å; I556-F562 HydrophobicContact CG2-CD2 4.24Å; I556-F562 HydrophobicContact CG2-CE2 3.85Å; F562-M564 HydrophobicContact CB-CG 3.84Å; F562-M564 HydrophobicContact CB-SD 4.44Å; F562-M564 PolarHBondContact O-N 3.2Å
563	P	79.9	Confident	86.5	Confident	107 Å²	107	43.9 Å²	43.9	70%	0.695	22%	0.223	S	C	*	.	S	Bend	trans	-79.4	48.1	175.7	35.9	-37.5	0	0	0	112	S524	S524-P563 WeakPolarHBondContact CB-O 3.39Å; S524-P563 PolarHBondContact OG-O 2.98Å
564	M	85.4	Confident	86.8	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.039	23%	0.225	C	C	.	.			trans	-137.2	171.8	177.5	68.5	177.4	-78.3	0	0	110.1	C506 T520 V523 T533 F535 F562	C506-M564 HydrophobicContact CB-CE 4.24Å; T520-M564 HydrophobicContact CG2-SD 3.93Å; V523-M564 HydrophobicContact CG1-CE 3.64Å; T533-M564 HydrophobicContact CG2-CE 3.7Å; F535-M564 HydrophobicContact CD2-CE 3.88Å; F535-M564 HydrophobicContact CD2-SD 3.84Å; F535-M564 HydrophobicContact CE2-SD 4.12Å; F562-M564 HydrophobicContact CB-CG 3.84Å; F562-M564 HydrophobicContact CB-SD 4.44Å; F562-M564 PolarHBondContact O-N 3.2Å
565	K	87.3	Confident	86.8	Confident	123 Å²	123	42.6 Å²	42.6	54%	0.535	22%	0.223	S	C	.	.			trans	-129.5	156.5	174	-69.9	173	-177.9	170.3	0	109.7	Q529 G530	Q529-K565 WeakPolarHBondContact O-CB 3.24Å; Q529-K565 WeakPolarHBondContact O-CD 3.44Å; G530-K565 VanDerWaalsContact CA-C 3.44Å; G530-K565 WeakPolarHBondContact CA-O 3.42Å
566	A	90.1	Very high	86.2	Confident	19 Å²	19	42.6 Å²	42.6	16%	0.157	22%	0.222	C	C	.	.			trans	-148.5	153.7	176.6	0	0	0	0	0	110.2	T533 F535 G568 Y569	T533-A566 HydrophobicContact CG2-CB 4.26Å; T533-A566 CarbonylContact O-C 3.6Å; T533-A566 VanDerWaalsContact O-CA 3.26Å; T533-A566 WeakPolarHBondContact O-CA 3.45Å; T533-A566 WeakPolarHBondContact O-CB 3.41Å; F535-A566 HydrophobicContact CB-CB 3.99Å; A566-G568 PolarHBondContact O-N 3.4Å; A566-Y569 HydrophobicContact CB-CD2 4.37Å; A566-Y569 HydrophobicContact CB-CE1 4.36Å; A566-Y569 HydrophobicContact CB-CE2 3.92Å
567	L	88.8	Confident	85.3	Confident	96 Å²	96	45.6 Å²	45.6	50%	0.503	26%	0.257	S	S	.	.	S	Bend	trans	-63.6	-29.6	171.9	-64.8	176.8	0	0	0	112.2	G530 T533 I534 C622 M626	G530-L567 WeakPolarHBondContact O-CG 3.22Å; G530-L567 PolarHBondContact O-N 3.22Å; T533-L567 PolarHBondContact O-N 3.3Å; I534-L567 HydrophobicContact CG1-CB 4.47Å; L567-C622 WeakPolarHBondContact CD1-SG 3.48Å; L567-M626 HydrophobicContact CD1-CE 4.4Å
568	G	88.8	Confident	84.4	Confident	19 Å²	19	47.3 Å²	47.3	20%	0.196	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	150.8	178	0	0	0	0	0	111.2	F535 A566	F535-G568 PolarHBondContact N-O 3.45Å; A566-G568 PolarHBondContact O-N 3.4Å
569	Y	92.2	Very high	83.4	Confident	27 Å²	27	50.5 Å²	50.5	11%	0.106	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.1	176.2	-67.9	-98.8	0	0	0	108.2	F535 I556 V557 G559 A566 Q609	F535-Y569 HydrophobicContact CB-CD1 3.57Å; F535-Y569 HydrophobicContact CB-CE1 3.82Å; F535-Y569 HydrophobicContact CB-CG 4.22Å; F535-Y569 AromaticContact CD1-CD1 3.52Å; F535-Y569 HydrophobicContact CD1-CD1 3.52Å; F535-Y569 HydrophobicContact CD1-CE1 4.14Å; F535-Y569 HydrophobicContact CD1-CG 4.49Å; F535-Y569 HydrophobicContact CD2-CE1 4.44Å; F535-Y569 HydrophobicContact CE1-CD1 4.36Å; F535-Y569 AromaticContact CG-CD1 3.65Å; F535-Y569 HydrophobicContact CG-CD1 3.65Å; F535-Y569 AromaticContact CG-CE1 3.88Å; F535-Y569 HydrophobicContact CG-CE1 3.88Å; F535-Y569 WeakPolarHBondContact O-CA 3.45Å; I556-Y569 WeakPolarHBondContact O-CD1 3.5Å; V557-Y569 VanDerWaalsContact O-CB 3.27Å; V557-Y569 WeakPolarHBondContact O-CB 3.43Å; G559-Y569 WeakPolarHBondContact CA-OH 3.02Å; A566-Y569 HydrophobicContact CB-CD2 4.37Å; A566-Y569 HydrophobicContact CB-CE1 4.36Å; A566-Y569 HydrophobicContact CB-CE2 3.92Å; Y569-Q609 PolarHBondContact O-NE2 2.89Å
570	F	93.2	Very high	82.5	Confident	17 Å²	17	52.9 Å²	52.9	8%	0.075	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.8	-176.5	-65.3	-91.9	0	0	0	111.8	I534 F535 L537 H608 Q609 L615 A618	I534-F570 HydrophobicContact CG2-CD2 3.81Å; I534-F570 HydrophobicContact CG2-CE2 3.87Å; F535-F570 PolarHBondContact O-N 3.12Å; L537-F570 PolarHBondContact N-O 2.98Å; F570-H608 WeakPolarHBondContact CE1-O 3.37Å; F570-Q609 CarbonylContact C-O 3.57Å; F570-Q609 WeakPolarHBondContact CA-O 3.25Å; F570-L615 HydrophobicContact CB-CB 4.41Å; F570-L615 HydrophobicContact CB-CD1 4.11Å; F570-L615 HydrophobicContact CD1-CB 4.11Å; F570-L615 HydrophobicContact CD1-CD1 4.44Å; F570-L615 HydrophobicContact CD2-CD1 3.64Å; F570-L615 HydrophobicContact CE2-CD1 4.18Å; F570-L615 HydrophobicContact CG-CB 4.18Å; F570-L615 HydrophobicContact CG-CD1 3.8Å; F570-A618 HydrophobicContact CE1-CB 4.15Å; F570-A618 HydrophobicContact CE2-CB 4.12Å; F570-A618 HydrophobicContact CZ-CB 3.43Å; F570-A618 VanDerWaalsContact CZ-CB 3.43Å
571	A	91.5	Very high	82.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127	174	0	0	0	0	0	109.6	V540 F594 L605 Q609 V610 T611	V540-A571 HydrophobicContact CG2-CB 4.11Å; A571-F594 HydrophobicContact CB-CE1 4.29Å; A571-F594 HydrophobicContact CB-CZ 4.13Å; A571-F594 VanDerWaalsContact O-CZ 3.25Å; A571-F594 WeakPolarHBondContact O-CZ 3.39Å; A571-L605 HydrophobicContact CB-CD1 4.06Å; A571-Q609 PolarHBondContact N-O 2.76Å; A571-V610 HydrophobicContact CB-CG1 4.37Å; A571-V610 WeakPolarHBondContact O-CA 3.39Å; A571-T611 PolarHBondContact O-N 2.88Å; A571-T611 VanDerWaalsContact O-N 3.17Å
572	V	92.5	Very high	82.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	31%	0.312	C	S	.	.			trans	-138.9	154.4	-172.6	-59.7	0	0	0	0	112.8	V375 V536 L537 T538 K539 T574 E590 L615	V375-V572 HydrophobicContact CG2-CG2 4.36Å; V536-V572 HydrophobicContact CG1-CG1 4.26Å; V536-V572 HydrophobicContact CG1-CG2 3.49Å; V536-V572 VanDerWaalsContact CG1-CG2 3.49Å; L537-V572 PolarHBondContact O-N 3.49Å; T538-V572 WeakPolarHBondContact CA-O 3.26Å; T538-V572 HydrophobicContact CG2-CG2 3.9Å; K539-V572 PolarHBondContact N-O 2.92Å; V572-T574 HydrophobicContact CB-CG2 4.38Å; V572-T574 HydrophobicContact CG2-CG2 4.03Å; V572-E590 VanDerWaalsContact CA-OE1 3.31Å; V572-E590 WeakPolarHBondContact CA-OE1 3.47Å; V572-E590 WeakPolarHBondContact CB-OE1 3.39Å; V572-L615 HydrophobicContact CG1-CD2 4.08Å
573	V	91.2	Very high	82.4	Confident	0 Å²	0	47 Å²	47	0%	0	31%	0.311	C	S	.	.			trans	-128.6	105.2	177.1	-179.7	0	0	0	0	109.1	D541 Y589 E590 F593 F594	D541-V573 HydrophobicContact CB-CG1 4.22Å; D541-V573 HydrophobicContact CB-CG2 4.18Å; V573-Y589 HydrophobicContact CG1-CD1 3.84Å; V573-Y589 HydrophobicContact CG1-CE1 3.86Å; V573-E590 HydrophobicContact CB-CB 4.4Å; V573-E590 HydrophobicContact CB-CG 4.2Å; V573-E590 PolarHBondContact N-OE1 2.86Å; V573-F593 HydrophobicContact CG2-CD1 3.56Å; V573-F593 HydrophobicContact CG2-CE1 3.85Å; V573-F593 HydrophobicContact CG2-CG 4.29Å; V573-F594 HydrophobicContact CG2-CE2 4.25Å; V573-F594 HydrophobicContact CG2-CZ 4.19Å
574	T	86	Confident	82.7	Confident	13 Å²	13	46 Å²	46	8%	0.08	30%	0.3	C	S	.	.			trans	-110.7	35.6	-168.5	67	0	0	0	0	113.4	S374 V375 M378 V572	S374-T574 VanDerWaalsContact CB-OG1 3.25Å; S374-T574 WeakPolarHBondContact CB-OG1 3.31Å; V375-T574 HydrophobicContact CG2-CG2 3.9Å; M378-T574 HydrophobicContact CG-CG2 4.21Å; V572-T574 HydrophobicContact CB-CG2 4.38Å; V572-T574 HydrophobicContact CG2-CG2 4.03Å
575	G	82.8	Confident	82.8	Confident	21 Å²	21	47 Å²	47	22%	0.216	31%	0.309	C	S	.	.			trans	145	157	177.8	0	0	0	0	0	113.5
576	K	73.3	Confident	82.9	Confident	83 Å²	83	41.1 Å²	41.1	36%	0.361	28%	0.284	S	S	.	.			trans	-102.1	3.1	-174.2	-40.6	-176.2	-151.1	-170.8	0	113.8	E581 A585 Y589	K576-E581 WeakPolarHBondContact CB-OE1 3.29Å; K576-E581 WeakPolarHBondContact CB-OE2 3.24Å; K576-E581 WeakPolarHBondContact CD-OE1 3.25Å; K576-E581 WeakPolarHBondContact CE-OE1 3.43Å; K576-E581 WeakPolarHBondContact CG-OE1 3.44Å; K576-E581 WeakPolarHBondContact CG-OE2 3.27Å; K576-E581 PolarHBondContact N-OE2 2.81Å; K576-A585 WeakPolarHBondContact CE-O 3.26Å; K576-A585 PolarHBondContact NZ-O 3.43Å; K576-Y589 HydrophobicContact CB-CE1 4.37Å; K576-Y589 HydrophobicContact CD-CD1 3.96Å; K576-Y589 HydrophobicContact CD-CD2 3.74Å; K576-Y589 HydrophobicContact CD-CE1 4.34Å; K576-Y589 HydrophobicContact CD-CE2 4.16Å; K576-Y589 HydrophobicContact CD-CG 3.61Å; K576-Y589 VanDerWaalsContact CE-CB 3.45Å; K576-Y589 HydrophobicContact CG-CD1 3.59Å; K576-Y589 HydrophobicContact CG-CD2 4.28Å; K576-Y589 HydrophobicContact CG-CE1 3.85Å; K576-Y589 HydrophobicContact CG-CG 3.8Å
577	G	65.6	Low	82.8	Confident	78 Å²	78	42.7 Å²	42.7	80%	0.804	29%	0.287	S	S	*	.	S	Bend	trans	99.7	-8.7	-173.3	0	0	0	0	0	114.5
578	G	64.8	Low	82.9	Confident	42 Å²	42	42.9 Å²	42.9	43%	0.433	29%	0.289	S	S	.	.			trans	-74.4	148.5	172.6	0	0	0	0	0	112.8
579	T	61.7	Low	83	Confident	143 Å²	143	44.5 Å²	44.5	88%	0.877	29%	0.289	S	S	*	.	S	Bend	trans	-84.3	-20.2	-178.2	46.6	0	0	0	0	114.5
580	G	65.8	Low	83	Confident	73 Å²	73	43.5 Å²	43.5	75%	0.753	29%	0.286	S	S	*	.	S	Bend	trans	-125.7	20	-171.2	0	0	0	0	0	115.8
581	E	78.5	Confident	82.8	Confident	43 Å²	43	46.9 Å²	46.9	20%	0.201	30%	0.302	C	S	.	.			trans	-69.3	139.4	-179	-54.5	-175.2	109.2	0	0	111.7	R383 K576 I586	R383-E581 VanDerWaalsContact CZ-O 3.29Å; R383-E581 PolarHBondContact NE-O 2.8Å; R383-E581 PolarHBondContact NH2-O 2.88Å; K576-E581 WeakPolarHBondContact CB-OE1 3.29Å; K576-E581 WeakPolarHBondContact CB-OE2 3.24Å; K576-E581 WeakPolarHBondContact CD-OE1 3.25Å; K576-E581 WeakPolarHBondContact CE-OE1 3.43Å; K576-E581 WeakPolarHBondContact CG-OE1 3.44Å; K576-E581 WeakPolarHBondContact CG-OE2 3.27Å; K576-E581 PolarHBondContact N-OE2 2.81Å; E581-I586 HydrophobicContact CB-CD1 4.24Å; E581-I586 HydrophobicContact CB-CG1 4.23Å
582	S	84.2	Confident	82.8	Confident	66 Å²	66	51.3 Å²	51.3	46%	0.462	33%	0.326	S	S	.	.			trans	-67.1	161.5	171.3	66.5	0	0	0	0	111.4	A585 I586	S582-A585 VanDerWaalsContact OG-CB 3.29Å; S582-A585 WeakPolarHBondContact OG-CB 3.4Å; S582-A585 PolarHBondContact OG-N 2.69Å; S582-I586 WeakPolarHBondContact O-CG1 3.37Å; S582-I586 PolarHBondContact O-N 2.98Å
583	I	86	Confident	82.7	Confident	9 Å²	9	52.4 Å²	52.4	5%	0.046	33%	0.33	C	S	.	.	S	Bend	trans	-64.1	-43.5	178.6	-71.1	-68	0	0	0	110.9	E377 M378 Q381 R383 I586 K587	E377-I583 HydrophobicContact CB-CD1 4.19Å; M378-I583 HydrophobicContact SD-CD1 3.87Å; M378-I583 HydrophobicContact SD-CG2 4.11Å; Q381-I583 HydrophobicContact CB-CG2 4.48Å; R383-I583 HydrophobicContact CG-CD1 4.25Å; R383-I583 HydrophobicContact CG-CG1 4.07Å; I583-I586 WeakPolarHBondContact O-CA 3.29Å; I583-I586 WeakPolarHBondContact O-CB 3.42Å; I583-I586 PolarHBondContact O-N 2.72Å; I583-K587 HydrophobicContact CG2-CD 4.46Å; I583-K587 HydrophobicContact CG2-CG 4.47Å; I583-K587 PolarHBondContact O-N 3.28Å
584	D	86.2	Confident	82.5	Confident	85 Å²	85	52.7 Å²	52.7	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-68.2	-39.6	-176.8	-52.4	-63	0	0	0	111.8	I586 K587 D588	D584-I586 PolarHBondContact O-N 3.41Å; D584-K587 WeakPolarHBondContact O-CB 3.27Å; D584-K587 PolarHBondContact O-N 3.33Å; D584-K587 WeakPolarHBondContact OD1-CE 3.32Å; D584-K587 IonicContact OD1-NZ 3.18Å; D584-K587 PolarHBondContact OD1-NZ 2.94Å; D584-D588 PolarHBondContact O-N 3.33Å
585	A	89	Confident	82.6	Confident	29 Å²	29	57.6 Å²	57.6	24%	0.24	35%	0.353	C	S	.	.	H	α-helix	trans	-61.4	-17	172	0	0	0	0	0	113.7	K576 S582	K576-A585 WeakPolarHBondContact CE-O 3.26Å; K576-A585 PolarHBondContact NZ-O 3.43Å; S582-A585 VanDerWaalsContact OG-CB 3.29Å; S582-A585 WeakPolarHBondContact OG-CB 3.4Å; S582-A585 PolarHBondContact OG-N 2.69Å
586	I	89	Confident	82.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-88.6	-40.3	170	-64.5	172.9	0	0	0	111.3	M378 E581 S582 I583 D584 D588 Y589 E590	M378-I586 HydrophobicContact CE-CB 4.18Å; M378-I586 HydrophobicContact CE-CG2 3.66Å; M378-I586 HydrophobicContact SD-CB 3.97Å; M378-I586 HydrophobicContact SD-CG2 3.66Å; E581-I586 HydrophobicContact CB-CD1 4.24Å; E581-I586 HydrophobicContact CB-CG1 4.23Å; S582-I586 WeakPolarHBondContact O-CG1 3.37Å; S582-I586 PolarHBondContact O-N 2.98Å; I583-I586 WeakPolarHBondContact O-CA 3.29Å; I583-I586 WeakPolarHBondContact O-CB 3.42Å; I583-I586 PolarHBondContact O-N 2.72Å; D584-I586 PolarHBondContact O-N 3.41Å; I586-D588 VanDerWaalsContact C-N 3.34Å; I586-D588 PolarHBondContact O-N 2.97Å; I586-Y589 PolarHBondContact O-N 3.47Å; I586-E590 PolarHBondContact O-N 3.24Å
587	K	88.3	Confident	83.3	Confident	52 Å²	52	57.3 Å²	57.3	23%	0.226	35%	0.351	C	S	.	.	H	α-helix	trans	-55.2	-51	173	-65.4	173.3	-176.1	156.8	0	110.5	M378 I583 D584 Y589 E590 E591	M378-K587 HydrophobicContact CE-CG 3.84Å; I583-K587 HydrophobicContact CG2-CD 4.46Å; I583-K587 HydrophobicContact CG2-CG 4.47Å; I583-K587 PolarHBondContact O-N 3.28Å; D584-K587 WeakPolarHBondContact O-CB 3.27Å; D584-K587 PolarHBondContact O-N 3.33Å; D584-K587 WeakPolarHBondContact OD1-CE 3.32Å; D584-K587 IonicContact OD1-NZ 3.18Å; D584-K587 PolarHBondContact OD1-NZ 2.94Å; K587-Y589 PolarHBondContact O-N 2.67Å; K587-E590 PolarHBondContact O-N 3.24Å; K587-E590 VanDerWaalsContact O-N 3.09Å; K587-E591 PolarHBondContact O-N 3.31Å
588	D	90.5	Very high	83.9	Confident	100 Å²	100	62.1 Å²	62.1	54%	0.535	35%	0.345	S	S	.	.	H	α-helix	trans	-56.2	-41.1	178.5	-57.8	-20.8	0	0	0	111.1	D584 I586 E591 D592	D584-D588 PolarHBondContact O-N 3.33Å; I586-D588 VanDerWaalsContact C-N 3.34Å; I586-D588 PolarHBondContact O-N 2.97Å; D588-E591 PolarHBondContact O-N 3.5Å; D588-D592 WeakPolarHBondContact O-CB 3.4Å; D588-D592 PolarHBondContact O-N 3.22Å
589	Y	91.1	Very high	84.5	Confident	53 Å²	53	60.1 Å²	60.1	21%	0.208	33%	0.325	C	S	.	.	H	α-helix	trans	-73	-33.5	178.2	-174.3	-107.3	0	0	0	113.9	K545 V573 K576 I586 K587 F593	K545-Y589 PolarHBondContact NZ-OH 3.09Å; V573-Y589 HydrophobicContact CG1-CD1 3.84Å; V573-Y589 HydrophobicContact CG1-CE1 3.86Å; K576-Y589 HydrophobicContact CB-CE1 4.37Å; K576-Y589 HydrophobicContact CD-CD1 3.96Å; K576-Y589 HydrophobicContact CD-CD2 3.74Å; K576-Y589 HydrophobicContact CD-CE1 4.34Å; K576-Y589 HydrophobicContact CD-CE2 4.16Å; K576-Y589 HydrophobicContact CD-CG 3.61Å; K576-Y589 VanDerWaalsContact CE-CB 3.45Å; K576-Y589 HydrophobicContact CG-CD1 3.59Å; K576-Y589 HydrophobicContact CG-CD2 4.28Å; K576-Y589 HydrophobicContact CG-CE1 3.85Å; K576-Y589 HydrophobicContact CG-CG 3.8Å; I586-Y589 PolarHBondContact O-N 3.47Å; K587-Y589 PolarHBondContact O-N 2.67Å; Y589-F593 WeakPolarHBondContact O-CB 3.37Å; Y589-F593 PolarHBondContact O-N 2.93Å
590	E	92.1	Very high	85.4	Confident	7 Å²	7	55.9 Å²	55.9	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-42.9	173.6	-173.4	174.2	-126.2	0	0	110.2	V572 V573 I586 K587 F594 T611 T612	V572-E590 VanDerWaalsContact CA-OE1 3.31Å; V572-E590 WeakPolarHBondContact CA-OE1 3.47Å; V572-E590 WeakPolarHBondContact CB-OE1 3.39Å; V573-E590 HydrophobicContact CB-CB 4.4Å; V573-E590 HydrophobicContact CB-CG 4.2Å; V573-E590 PolarHBondContact N-OE1 2.86Å; I586-E590 PolarHBondContact O-N 3.24Å; K587-E590 PolarHBondContact O-N 3.24Å; K587-E590 VanDerWaalsContact O-N 3.09Å; E590-F594 HydrophobicContact CG-CD2 3.78Å; E590-F594 HydrophobicContact CG-CE2 3.66Å; E590-F594 WeakPolarHBondContact O-CD2 3.34Å; E590-F594 PolarHBondContact O-N 2.99Å; E590-T611 HydrophobicContact CG-CG2 4.47Å; E590-T611 WeakPolarHBondContact OE2-CA 3.31Å; E590-T612 VanDerWaalsContact CD-N 3.29Å; E590-T612 PolarHBondContact OE1-N 3.19Å; E590-T612 VanDerWaalsContact OE1-N 3.14Å; E590-T612 PolarHBondContact OE1-OG1 2.86Å; E590-T612 WeakPolarHBondContact OE2-CB 3.26Å; E590-T612 PolarHBondContact OE2-N 2.98Å; E590-T612 PolarHBondContact OE2-OG1 2.9Å
591	E	89.5	Confident	86.1	Confident	87 Å²	87	60 Å²	60	41%	0.407	29%	0.289	S	S	.	.	H	α-helix	trans	-68.1	-48	175.5	-65	-166.7	-175.5	0	0	112	K587 D588 F593 F594 Q595	K587-E591 PolarHBondContact O-N 3.31Å; D588-E591 PolarHBondContact O-N 3.5Å; E591-F593 VanDerWaalsContact C-N 3.32Å; E591-F593 PolarHBondContact O-N 3.47Å; E591-F594 PolarHBondContact O-N 2.7Å; E591-Q595 WeakPolarHBondContact O-CB 3.49Å; E591-Q595 VanDerWaalsContact O-CG 3.23Å; E591-Q595 WeakPolarHBondContact O-CG 3.49Å; E591-Q595 PolarHBondContact O-N 3.14Å
592	D	90.4	Very high	85.9	Confident	94 Å²	94	63.4 Å²	63.4	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-57.1	-42.9	174.1	-88.5	-19.1	0	0	0	112.2	D588 N596	D588-D592 WeakPolarHBondContact O-CB 3.4Å; D588-D592 PolarHBondContact O-N 3.22Å; D592-N596 WeakPolarHBondContact O-CB 3.29Å; D592-N596 PolarHBondContact O-N 3.13Å; D592-N596 PolarHBondContact O-ND2 3.2Å
593	F	89.8	Confident	85.4	Confident	23 Å²	23	63 Å²	63	10%	0.101	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-54.1	178.5	171.8	-104.2	0	0	0	110.7	V540 D541 E544 V573 Y589 E591 Q595 N596 S597	V540-F593 HydrophobicContact CB-CE1 4.46Å; V540-F593 HydrophobicContact CG1-CE1 4.4Å; D541-F593 HydrophobicContact CB-CD2 3.95Å; D541-F593 HydrophobicContact CB-CE1 4.43Å; D541-F593 HydrophobicContact CB-CE2 3.81Å; D541-F593 HydrophobicContact CB-CG 4.35Å; D541-F593 HydrophobicContact CB-CZ 4.06Å; E544-F593 VanDerWaalsContact OE2-CE2 3.32Å; E544-F593 WeakPolarHBondContact OE2-CE2 3.47Å; E544-F593 VanDerWaalsContact OE2-CZ 3.25Å; E544-F593 WeakPolarHBondContact OE2-CZ 3.42Å; V573-F593 HydrophobicContact CG2-CD1 3.56Å; V573-F593 HydrophobicContact CG2-CE1 3.85Å; V573-F593 HydrophobicContact CG2-CG 4.29Å; Y589-F593 WeakPolarHBondContact O-CB 3.37Å; Y589-F593 PolarHBondContact O-N 2.93Å; E591-F593 VanDerWaalsContact C-N 3.32Å; E591-F593 PolarHBondContact O-N 3.47Å; F593-Q595 VanDerWaalsContact C-N 3.31Å; F593-Q595 PolarHBondContact O-N 2.88Å; F593-N596 CarbonylContact O-C 3.58Å; F593-N596 PolarHBondContact O-N 3.4Å; F593-N596 VanDerWaalsContact O-N 3.07Å; F593-S597 VanDerWaalsContact O-CB 3.25Å; F593-S597 WeakPolarHBondContact O-CB 3.32Å; F593-S597 PolarHBondContact O-N 2.92Å
594	F	88.8	Confident	84.9	Confident	5 Å²	5	64.4 Å²	64.4	2%	0.022	32%	0.321	C	S	.	.	H	α-helix	trans	-68.3	-28.8	-177	-74.7	-59.5	0	0	0	113.1	A571 V573 E590 E591 N596 L600 V610 T611	A571-F594 HydrophobicContact CB-CE1 4.29Å; A571-F594 HydrophobicContact CB-CZ 4.13Å; A571-F594 VanDerWaalsContact O-CZ 3.25Å; A571-F594 WeakPolarHBondContact O-CZ 3.39Å; V573-F594 HydrophobicContact CG2-CE2 4.25Å; V573-F594 HydrophobicContact CG2-CZ 4.19Å; E590-F594 HydrophobicContact CG-CD2 3.78Å; E590-F594 HydrophobicContact CG-CE2 3.66Å; E590-F594 WeakPolarHBondContact O-CD2 3.34Å; E590-F594 PolarHBondContact O-N 2.99Å; E591-F594 PolarHBondContact O-N 2.7Å; F594-N596 VanDerWaalsContact C-N 3.3Å; F594-N596 PolarHBondContact O-N 3.05Å; F594-L600 WeakPolarHBondContact O-CB 3.31Å; F594-L600 VanDerWaalsContact O-CD2 3.29Å; F594-L600 WeakPolarHBondContact O-CD2 3.02Å; F594-V610 HydrophobicContact CB-CG2 4.48Å; F594-V610 HydrophobicContact CD1-CB 3.82Å; F594-V610 HydrophobicContact CD1-CG1 3.61Å; F594-V610 HydrophobicContact CD2-CB 3.96Å; F594-V610 HydrophobicContact CE1-CB 3.93Å; F594-V610 HydrophobicContact CE1-CG1 3.58Å; F594-V610 HydrophobicContact CE2-CB 4.05Å; F594-V610 HydrophobicContact CG-CB 3.85Å; F594-V610 HydrophobicContact CG-CG1 4.17Å; F594-V610 HydrophobicContact CG-CG2 4.3Å; F594-V610 HydrophobicContact CZ-CB 4.05Å; F594-V610 HydrophobicContact CZ-CG1 4.11Å; F594-T611 HydrophobicContact CD2-CG2 4.11Å
595	Q	87.3	Confident	84.6	Confident	116 Å²	116	60.6 Å²	60.6	54%	0.542	30%	0.301	S	S	.	.	H	α-helix	trans	-67.5	-27.5	171.5	-73.5	179.2	58.1	0	0	113.4	E591 F593 R601	E591-Q595 WeakPolarHBondContact O-CB 3.49Å; E591-Q595 VanDerWaalsContact O-CG 3.23Å; E591-Q595 WeakPolarHBondContact O-CG 3.49Å; E591-Q595 PolarHBondContact O-N 3.14Å; F593-Q595 VanDerWaalsContact C-N 3.31Å; F593-Q595 PolarHBondContact O-N 2.88Å; Q595-R601 VanDerWaalsContact O-CZ 3.26Å; Q595-R601 PolarHBondContact O-NE 3.01Å; Q595-R601 PolarHBondContact O-NH2 2.83Å
596	N	86.4	Confident	84.4	Confident	96 Å²	96	65.1 Å²	65.1	51%	0.513	32%	0.315	S	S	.	.	H	α-helix	trans	-106	-18.9	-176.5	-70.3	-69	0	0	0	115.3	D592 F593 F594 R601	D592-N596 WeakPolarHBondContact O-CB 3.29Å; D592-N596 PolarHBondContact O-N 3.13Å; D592-N596 PolarHBondContact O-ND2 3.2Å; F593-N596 CarbonylContact O-C 3.58Å; F593-N596 PolarHBondContact O-N 3.4Å; F593-N596 VanDerWaalsContact O-N 3.07Å; F594-N596 VanDerWaalsContact C-N 3.3Å; F594-N596 PolarHBondContact O-N 3.05Å; N596-R601 PolarHBondContact OD1-NH2 3.01Å
597	S	84.1	Confident	84.2	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.021	34%	0.343	C	S	.	.			trans	-60.7	141.8	178	177	0	0	0	0	112.2	E544 F593 L599 L600 R601	E544-S597 PolarHBondContact OE1-OG 3.32Å; E544-S597 VanDerWaalsContact OE2-CB 3.29Å; E544-S597 WeakPolarHBondContact OE2-CB 3.41Å; E544-S597 PolarHBondContact OE2-OG 2.85Å; F593-S597 VanDerWaalsContact O-CB 3.25Å; F593-S597 WeakPolarHBondContact O-CB 3.32Å; F593-S597 PolarHBondContact O-N 2.92Å; S597-L599 PolarHBondContact O-N 3.33Å; S597-L599 WeakPolarHBondContact OG-CB 3.27Å; S597-L599 PolarHBondContact OG-N 2.78Å; S597-L600 PolarHBondContact O-N 2.9Å; S597-R601 WeakPolarHBondContact O-CG 3.34Å; S597-R601 PolarHBondContact O-N 2.84Å
598	R	77.5	Confident	84.1	Confident	179 Å²	179	71.7 Å²	71.7	68%	0.675	36%	0.359	S	S	*	.	H	α-helix	trans	-66	-31.1	173.7	-61.1	-179.2	-173.7	-178.6	2.5	111.2	E544 L600 R601 D602	E544-R598 WeakPolarHBondContact OE1-CB 3.34Å; E544-R598 PolarHBondContact OE1-N 2.99Å; R598-L600 PolarHBondContact O-N 2.97Å; R598-R601 PolarHBondContact O-N 2.87Å; R598-D602 VanDerWaalsContact O-CB 3.31Å; R598-D602 WeakPolarHBondContact O-CB 3.25Å; R598-D602 PolarHBondContact O-N 3.48Å
599	L	77.9	Confident	84	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.3	-33.5	-178.4	-59.1	170.8	0	0	0	112.7	V540 P550 I553 S597 M604 L605	V540-L599 HydrophobicContact CG1-CD1 3.61Å; P550-L599 HydrophobicContact CB-CD2 3.66Å; I553-L599 HydrophobicContact CB-CD2 4.39Å; I553-L599 HydrophobicContact CD1-CD1 4.09Å; I553-L599 HydrophobicContact CD1-CD2 4.32Å; I553-L599 HydrophobicContact CG2-CD1 4.19Å; I553-L599 HydrophobicContact CG2-CD2 4.45Å; S597-L599 PolarHBondContact O-N 3.33Å; S597-L599 WeakPolarHBondContact OG-CB 3.27Å; S597-L599 PolarHBondContact OG-N 2.78Å; L599-M604 HydrophobicContact CD2-SD 4.37Å; L599-M604 CarbonylContact O-C 3.58Å; L599-M604 WeakPolarHBondContact O-CB 3.4Å; L599-M604 PolarHBondContact O-N 3.08Å; L599-M604 VanDerWaalsContact O-N 3.14Å; L599-L605 HydrophobicContact CB-CD1 3.71Å; L599-L605 HydrophobicContact CB-CG 3.99Å; L599-L605 HydrophobicContact CD1-CD1 4.17Å; L599-L605 HydrophobicContact CG-CD1 4.49Å; L599-L605 PolarHBondContact O-N 3.45Å
600	L	81.3	Confident	83.9	Confident	54 Å²	54	66 Å²	66	28%	0.283	33%	0.331	S	S	.	.	H	α-helix	trans	-86.1	-43.3	174.4	-159	85.9	0	0	0	112	F594 S597 R598 G603 V610	F594-L600 WeakPolarHBondContact O-CB 3.31Å; F594-L600 VanDerWaalsContact O-CD2 3.29Å; F594-L600 WeakPolarHBondContact O-CD2 3.02Å; S597-L600 PolarHBondContact O-N 2.9Å; R598-L600 PolarHBondContact O-N 2.97Å; L600-G603 PolarHBondContact O-N 3.2Å; L600-G603 VanDerWaalsContact O-N 3.17Å; L600-V610 HydrophobicContact CD1-CG1 4.14Å; L600-V610 HydrophobicContact CD1-CG2 3.85Å
601	R	79.4	Confident	83.9	Confident	160 Å²	160	66.4 Å²	66.4	60%	0.604	33%	0.334	S	S	*	.	H	α-helix	trans	-67.8	-37	-174.7	-69	179.2	176.5	-171.2	-0.1	113.3	Q595 N596 S597 R598 G603	Q595-R601 VanDerWaalsContact O-CZ 3.26Å; Q595-R601 PolarHBondContact O-NE 3.01Å; Q595-R601 PolarHBondContact O-NH2 2.83Å; N596-R601 PolarHBondContact OD1-NH2 3.01Å; S597-R601 WeakPolarHBondContact O-CG 3.34Å; S597-R601 PolarHBondContact O-N 2.84Å; R598-R601 PolarHBondContact O-N 2.87Å; R601-G603 PolarHBondContact O-N 3.09Å
602	D	75.6	Confident	84	Confident	113 Å²	113	62.5 Å²	62.5	60%	0.604	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	5.7	177.1	-58.6	-19.2	0	0	0	111.9	R598 M604	R598-D602 VanDerWaalsContact O-CB 3.31Å; R598-D602 WeakPolarHBondContact O-CB 3.25Å; R598-D602 PolarHBondContact O-N 3.48Å; D602-M604 VanDerWaalsContact C-N 3.26Å; D602-M604 HydrophobicContact CB-CG 4.07Å; D602-M604 HydrophobicContact CB-SD 4.37Å; D602-M604 PolarHBondContact O-N 2.93Å
603	G	73.4	Confident	84	Confident	57 Å²	57	64.6 Å²	64.6	59%	0.588	32%	0.321	S	S	*	.	S	Bend	trans	73	9.5	176.4	0	0	0	0	0	115.5	L600 R601 L605	L600-G603 PolarHBondContact O-N 3.2Å; L600-G603 VanDerWaalsContact O-N 3.17Å; R601-G603 PolarHBondContact O-N 3.09Å; G603-L605 VanDerWaalsContact C-N 3.34Å; G603-L605 PolarHBondContact O-N 2.7Å
604	M	74.4	Confident	84.1	Confident	39 Å²	39	65.9 Å²	65.9	19%	0.192	33%	0.329	C	S	.	.	S	Bend	trans	-70.2	-29.7	-176.3	-52.4	-179.5	80	0	0	112.6	P550 Q554 L599 D602	P550-M604 HydrophobicContact CB-CE 4.16Å; P550-M604 HydrophobicContact CB-SD 4.2Å; Q554-M604 HydrophobicContact CB-CB 4.37Å; Q554-M604 HydrophobicContact CB-CE 4.13Å; Q554-M604 HydrophobicContact CG-CB 4.48Å; L599-M604 HydrophobicContact CD2-SD 4.37Å; L599-M604 CarbonylContact O-C 3.58Å; L599-M604 WeakPolarHBondContact O-CB 3.4Å; L599-M604 PolarHBondContact O-N 3.08Å; L599-M604 VanDerWaalsContact O-N 3.14Å; D602-M604 VanDerWaalsContact C-N 3.26Å; D602-M604 HydrophobicContact CB-CG 4.07Å; D602-M604 HydrophobicContact CB-SD 4.37Å; D602-M604 PolarHBondContact O-N 2.93Å
605	L	80.4	Confident	84.3	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.026	33%	0.328	C	S	.	.	S	Bend	trans	-119.6	139.3	173	-60.4	-177.8	0	0	0	110.4	V557 A571 L599 G603 V610	V557-L605 HydrophobicContact CB-CD2 3.74Å; V557-L605 HydrophobicContact CG1-CD2 3.77Å; V557-L605 HydrophobicContact CG2-CD2 3.82Å; A571-L605 HydrophobicContact CB-CD1 4.06Å; L599-L605 HydrophobicContact CB-CD1 3.71Å; L599-L605 HydrophobicContact CB-CG 3.99Å; L599-L605 HydrophobicContact CD1-CD1 4.17Å; L599-L605 HydrophobicContact CG-CD1 4.49Å; L599-L605 PolarHBondContact O-N 3.45Å; G603-L605 VanDerWaalsContact C-N 3.34Å; G603-L605 PolarHBondContact O-N 2.7Å; L605-V610 HydrophobicContact CB-CG1 4.08Å; L605-V610 HydrophobicContact CD1-CG1 4.06Å
606	K	85.4	Confident	84.5	Confident	125 Å²	125	60.8 Å²	60.8	54%	0.543	31%	0.307	S	S	.	.			trans	-87	145.1	178.2	-55.6	177.3	-164.5	167.2	0	110.6	H608 Q609	K606-H608 PolarHBondContact O-N 3.41Å; K606-H608 VanDerWaalsContact O-N 3.09Å; K606-Q609 HydrophobicContact CB-CG 4.19Å; K606-Q609 WeakPolarHBondContact O-CA 3.26Å; K606-Q609 WeakPolarHBondContact O-CB 3.38Å; K606-Q609 PolarHBondContact O-N 3.3Å
607	A	84.9	Confident	84.7	Confident	70 Å²	70	59.5 Å²	59.5	58%	0.579	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-55	-31.5	-178	0	0	0	0	0	114.9	Q609 V610 N614	A607-Q609 VanDerWaalsContact C-N 3.33Å; A607-V610 VanDerWaalsContact O-CG2 3.26Å; A607-V610 WeakPolarHBondContact O-CG2 3.36Å; A607-N614 PolarHBondContact O-ND2 3.03Å
608	H	86.4	Confident	85	Confident	119 Å²	119	60.9 Å²	60.9	55%	0.551	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-80.3	-10.4	176.3	64.8	-102.9	0	0	0	114.2	F570 K606	F570-H608 WeakPolarHBondContact CE1-O 3.37Å; K606-H608 PolarHBondContact O-N 3.41Å; K606-H608 VanDerWaalsContact O-N 3.09Å
609	Q	87.8	Confident	85.8	Confident	26 Å²	26	52.3 Å²	52.3	12%	0.121	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-97.3	-3.7	177.7	-60.6	-172.2	-102	0	0	112.5	V557 Y569 F570 A571 K606 A607	V557-Q609 HydrophobicContact CG1-CB 4.44Å; V557-Q609 VanDerWaalsContact CG1-NE2 3.26Å; Y569-Q609 PolarHBondContact O-NE2 2.89Å; F570-Q609 CarbonylContact C-O 3.57Å; F570-Q609 WeakPolarHBondContact CA-O 3.25Å; A571-Q609 PolarHBondContact N-O 2.76Å; K606-Q609 HydrophobicContact CB-CG 4.19Å; K606-Q609 WeakPolarHBondContact O-CA 3.26Å; K606-Q609 WeakPolarHBondContact O-CB 3.38Å; K606-Q609 PolarHBondContact O-N 3.3Å; A607-Q609 VanDerWaalsContact C-N 3.33Å
610	V	89.4	Confident	86.4	Confident	7 Å²	7	52.6 Å²	52.6	4%	0.042	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-108.3	161.7	176.8	-63.9	0	0	0	0	111.2	A571 F594 L600 L605 A607 N614	A571-V610 HydrophobicContact CB-CG1 4.37Å; A571-V610 WeakPolarHBondContact O-CA 3.39Å; F594-V610 HydrophobicContact CB-CG2 4.48Å; F594-V610 HydrophobicContact CD1-CB 3.82Å; F594-V610 HydrophobicContact CD1-CG1 3.61Å; F594-V610 HydrophobicContact CD2-CB 3.96Å; F594-V610 HydrophobicContact CE1-CB 3.93Å; F594-V610 HydrophobicContact CE1-CG1 3.58Å; F594-V610 HydrophobicContact CE2-CB 4.05Å; F594-V610 HydrophobicContact CG-CB 3.85Å; F594-V610 HydrophobicContact CG-CG1 4.17Å; F594-V610 HydrophobicContact CG-CG2 4.3Å; F594-V610 HydrophobicContact CZ-CB 4.05Å; F594-V610 HydrophobicContact CZ-CG1 4.11Å; L600-V610 HydrophobicContact CD1-CG1 4.14Å; L600-V610 HydrophobicContact CD1-CG2 3.85Å; L605-V610 HydrophobicContact CB-CG1 4.08Å; L605-V610 HydrophobicContact CD1-CG1 4.06Å; A607-V610 VanDerWaalsContact O-CG2 3.26Å; A607-V610 WeakPolarHBondContact O-CG2 3.36Å; V610-N614 WeakPolarHBondContact O-CB 3.28Å; V610-N614 PolarHBondContact O-ND2 3.44Å
611	T	91.4	Very high	86.9	Confident	16 Å²	16	55.2 Å²	55.2	10%	0.098	30%	0.295	C	S	.	.	S	Bend	trans	73	144	-176.3	79.3	0	0	0	0	116	A571 E590 F594 K613 N614 L615	A571-T611 PolarHBondContact O-N 2.88Å; A571-T611 VanDerWaalsContact O-N 3.17Å; E590-T611 HydrophobicContact CG-CG2 4.47Å; E590-T611 WeakPolarHBondContact OE2-CA 3.31Å; F594-T611 HydrophobicContact CD2-CG2 4.11Å; T611-K613 PolarHBondContact O-N 3.4Å; T611-N614 PolarHBondContact O-N 2.91Å; T611-N614 PolarHBondContact OG1-N 3.29Å; T611-N614 PolarHBondContact OG1-ND2 2.98Å; T611-L615 PolarHBondContact O-N 3.49Å
612	T	91.4	Very high	87.4	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-67.7	-24	174.9	-54.9	0	0	0	0	111.7	M378 I379 E590 S616	M378-T612 HydrophobicContact CB-CG2 3.73Å; I379-T612 HydrophobicContact CG1-CG2 4.15Å; E590-T612 VanDerWaalsContact CD-N 3.29Å; E590-T612 PolarHBondContact OE1-N 3.19Å; E590-T612 VanDerWaalsContact OE1-N 3.14Å; E590-T612 PolarHBondContact OE1-OG1 2.86Å; E590-T612 WeakPolarHBondContact OE2-CB 3.26Å; E590-T612 PolarHBondContact OE2-N 2.98Å; E590-T612 PolarHBondContact OE2-OG1 2.9Å; T612-S616 WeakPolarHBondContact O-CB 3.36Å; T612-S616 PolarHBondContact O-N 3.45Å
613	K	90	Very high	88.2	Confident	138 Å²	138	43.2 Å²	43.2	60%	0.6	24%	0.244	S	C	*	.	H	α-helix	trans	-63.9	-49.2	174	-174.7	177.9	-178.1	177	0	112.1	T611 S616 L617	T611-K613 PolarHBondContact O-N 3.4Å; K613-S616 PolarHBondContact O-N 2.78Å; K613-L617 WeakPolarHBondContact O-CG 3.24Å; K613-L617 PolarHBondContact O-N 3.28Å; K613-L617 VanDerWaalsContact O-N 3.15Å
614	N	92.2	Very high	89	Confident	50 Å²	50	41.2 Å²	41.2	27%	0.267	22%	0.219	S	C	.	.	H	α-helix	trans	-66.9	-38.2	177.3	-68.8	-28.3	0	0	0	111.8	A607 V610 T611 L617 A618	A607-N614 PolarHBondContact O-ND2 3.03Å; V610-N614 WeakPolarHBondContact O-CB 3.28Å; V610-N614 PolarHBondContact O-ND2 3.44Å; T611-N614 PolarHBondContact O-N 2.91Å; T611-N614 PolarHBondContact OG1-N 3.29Å; T611-N614 PolarHBondContact OG1-ND2 2.98Å; N614-L617 PolarHBondContact O-N 3.17Å; N614-A618 WeakPolarHBondContact O-CB 3.42Å; N614-A618 PolarHBondContact O-N 3.39Å
615	L	92.6	Very high	89.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58	-49.4	171.6	173.5	63.5	0	0	0	111.8	V375 L505 I534 V536 F570 V572 T611 L617 A618 V619	V375-L615 HydrophobicContact CG1-CD2 4.01Å; L505-L615 HydrophobicContact CD1-CD1 4.21Å; I534-L615 HydrophobicContact CG2-CD1 3.93Å; V536-L615 HydrophobicContact CB-CD2 4.41Å; V536-L615 HydrophobicContact CG1-CD2 3.79Å; V536-L615 HydrophobicContact CG2-CD1 3.64Å; V536-L615 HydrophobicContact CG2-CD2 3.65Å; V536-L615 HydrophobicContact CG2-CG 4.31Å; F570-L615 HydrophobicContact CB-CB 4.41Å; F570-L615 HydrophobicContact CB-CD1 4.11Å; F570-L615 HydrophobicContact CD1-CB 4.11Å; F570-L615 HydrophobicContact CD1-CD1 4.44Å; F570-L615 HydrophobicContact CD2-CD1 3.64Å; F570-L615 HydrophobicContact CE2-CD1 4.18Å; F570-L615 HydrophobicContact CG-CB 4.18Å; F570-L615 HydrophobicContact CG-CD1 3.8Å; V572-L615 HydrophobicContact CG1-CD2 4.08Å; T611-L615 PolarHBondContact O-N 3.49Å; L615-L617 VanDerWaalsContact C-N 3.33Å; L615-L617 PolarHBondContact O-N 3.03Å; L615-A618 PolarHBondContact O-N 3.4Å; L615-V619 HydrophobicContact CD1-CG2 3.84Å; L615-V619 HydrophobicContact CG-CG2 4.35Å; L615-V619 WeakPolarHBondContact O-CB 3.29Å; L615-V619 VanDerWaalsContact O-CG2 3.28Å; L615-V619 WeakPolarHBondContact O-CG2 3.38Å; L615-V619 PolarHBondContact O-N 2.91Å
616	S	92.1	Very high	90	Very high	13 Å²	13	45.7 Å²	45.7	9%	0.091	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-42.2	-179.1	-174	0	0	0	0	112.2	Q463 M465 T612 K613 S620	Q463-S616 WeakPolarHBondContact CG-OG 3.37Å; M465-S616 WeakPolarHBondContact CE-O 3.16Å; T612-S616 WeakPolarHBondContact O-CB 3.36Å; T612-S616 PolarHBondContact O-N 3.45Å; K613-S616 PolarHBondContact O-N 2.78Å; S616-S620 VanDerWaalsContact O-CB 3.3Å; S616-S620 WeakPolarHBondContact O-CB 3.38Å; S616-S620 PolarHBondContact O-N 2.94Å
617	L	91.3	Very high	90.2	Very high	70 Å²	70	39.7 Å²	39.7	37%	0.366	21%	0.212	S	C	.	.	H	α-helix	trans	-62.7	-51	173.8	-69.7	167.6	0	0	0	111.8	Q463 K613 N614 L615 V619 S620 D621	Q463-L617 HydrophobicContact CG-CD2 4.47Å; K613-L617 WeakPolarHBondContact O-CG 3.24Å; K613-L617 PolarHBondContact O-N 3.28Å; K613-L617 VanDerWaalsContact O-N 3.15Å; N614-L617 PolarHBondContact O-N 3.17Å; L615-L617 VanDerWaalsContact C-N 3.33Å; L615-L617 PolarHBondContact O-N 3.03Å; L617-V619 VanDerWaalsContact C-N 3.32Å; L617-V619 PolarHBondContact O-N 3.18Å; L617-S620 VanDerWaalsContact O-CB 3.31Å; L617-S620 WeakPolarHBondContact O-CB 3.5Å; L617-S620 PolarHBondContact O-N 2.64Å; L617-S620 VanDerWaalsContact O-N 3.1Å; L617-D621 PolarHBondContact O-N 3.34Å
618	A	91.1	Very high	90.3	Very high	31 Å²	31	41.3 Å²	41.3	26%	0.256	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-36.6	-178.9	0	0	0	0	0	113.2	F570 N614 L615 C622	F570-A618 HydrophobicContact CE1-CB 4.15Å; F570-A618 HydrophobicContact CE2-CB 4.12Å; F570-A618 HydrophobicContact CZ-CB 3.43Å; F570-A618 VanDerWaalsContact CZ-CB 3.43Å; N614-A618 WeakPolarHBondContact O-CB 3.42Å; N614-A618 PolarHBondContact O-N 3.39Å; L615-A618 PolarHBondContact O-N 3.4Å; A618-C622 WeakPolarHBondContact O-CB 3.48Å; A618-C622 PolarHBondContact O-N 3.17Å; A618-C622 VanDerWaalsContact O-N 3.09Å
619	V	92.7	Very high	90.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-67.5	-42	173.4	173.8	0	0	0	0	110.8	V362 M465 L505 I534 L615 L617 C622 F623	V362-V619 HydrophobicContact CB-CG1 4.43Å; V362-V619 HydrophobicContact CG1-CG1 3.85Å; V362-V619 HydrophobicContact CG2-CG1 3.75Å; M465-V619 HydrophobicContact CE-CB 4.27Å; M465-V619 HydrophobicContact CE-CG1 4.01Å; M465-V619 HydrophobicContact SD-CG1 3.66Å; L505-V619 HydrophobicContact CD1-CG2 3.99Å; I534-V619 HydrophobicContact CD1-CG2 3.82Å; I534-V619 HydrophobicContact CG2-CG2 4.5Å; L615-V619 HydrophobicContact CD1-CG2 3.84Å; L615-V619 HydrophobicContact CG-CG2 4.35Å; L615-V619 WeakPolarHBondContact O-CB 3.29Å; L615-V619 VanDerWaalsContact O-CG2 3.28Å; L615-V619 WeakPolarHBondContact O-CG2 3.38Å; L615-V619 PolarHBondContact O-N 2.91Å; L617-V619 VanDerWaalsContact C-N 3.32Å; L617-V619 PolarHBondContact O-N 3.18Å; V619-C622 PolarHBondContact O-N 3.37Å; V619-F623 VanDerWaalsContact O-CB 3.23Å; V619-F623 WeakPolarHBondContact O-CB 3.41Å; V619-F623 PolarHBondContact O-N 2.95Å
620	S	91.7	Very high	90.2	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-50.7	175.9	-165.6	0	0	0	0	111.8	Q463 S616 L617 C622 F623 W624	Q463-S620 PolarHBondContact OE1-OG 3.41Å; S616-S620 VanDerWaalsContact O-CB 3.3Å; S616-S620 WeakPolarHBondContact O-CB 3.38Å; S616-S620 PolarHBondContact O-N 2.94Å; L617-S620 VanDerWaalsContact O-CB 3.31Å; L617-S620 WeakPolarHBondContact O-CB 3.5Å; L617-S620 PolarHBondContact O-N 2.64Å; L617-S620 VanDerWaalsContact O-N 3.1Å; S620-C622 PolarHBondContact O-N 3.38Å; S620-F623 WeakPolarHBondContact O-CB 3.33Å; S620-F623 PolarHBondContact O-N 2.84Å; S620-W624 VanDerWaalsContact O-CD1 3.25Å; S620-W624 PolarHBondContact O-N 2.93Å
621	D	90.7	Very high	90.1	Very high	109 Å²	109	39.3 Å²	39.3	58%	0.583	19%	0.194	S	C	*	.	H	α-helix	trans	-63.2	-41.3	179.3	-74.8	-29.7	0	0	0	112.2	L617 K625	L617-D621 PolarHBondContact O-N 3.34Å; D621-K625 VanDerWaalsContact O-CB 3.27Å; D621-K625 WeakPolarHBondContact O-CB 3.35Å; D621-K625 PolarHBondContact O-N 3.45Å
622	C	90.7	Very high	89.8	Confident	21 Å²	21	42.9 Å²	42.9	14%	0.142	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-43.3	177.3	-163.5	0	0	0	0	111.6	I503 I534 L567 A618 V619 S620 K625 M626	I503-C622 HydrophobicContact CD1-CB 4.16Å; I534-C622 HydrophobicContact CD1-CB 4.19Å; L567-C622 WeakPolarHBondContact CD1-SG 3.48Å; A618-C622 WeakPolarHBondContact O-CB 3.48Å; A618-C622 PolarHBondContact O-N 3.17Å; A618-C622 VanDerWaalsContact O-N 3.09Å; V619-C622 PolarHBondContact O-N 3.37Å; S620-C622 PolarHBondContact O-N 3.38Å; C622-K625 PolarHBondContact O-N 3.25Å; C622-M626 PolarHBondContact O-N 3.36Å; C622-M626 VanDerWaalsContact SG-CE 3.51Å
623	F	91.9	Very high	89.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59	-56.7	173.7	173.7	-97.1	0	0	0	111.4	I336 Y339 P360 V362 M465 V466 I503 V619 S620 K625 M626 V627	I336-F623 HydrophobicContact CD1-CE1 3.82Å; I336-F623 HydrophobicContact CD1-CZ 3.92Å; Y339-F623 AromaticContact CD1-CZ 3.86Å; Y339-F623 HydrophobicContact CD1-CZ 3.86Å; Y339-F623 AromaticContact CE1-CE2 3.96Å; Y339-F623 HydrophobicContact CE1-CE2 3.96Å; Y339-F623 AromaticContact CE1-CZ 3.52Å; Y339-F623 HydrophobicContact CE1-CZ 3.52Å; P360-F623 HydrophobicContact CB-CD2 4.45Å; V362-F623 HydrophobicContact CG2-CB 4.41Å; V362-F623 HydrophobicContact CG2-CD2 4.07Å; M465-F623 HydrophobicContact CB-CD1 4.02Å; M465-F623 HydrophobicContact CB-CE1 4.29Å; M465-F623 HydrophobicContact CB-CG 4.2Å; V466-F623 HydrophobicContact CB-CE2 4.39Å; V466-F623 HydrophobicContact CB-CZ 4.43Å; V466-F623 HydrophobicContact CG2-CZ 4.29Å; I503-F623 VanDerWaalsContact CD1-CA 3.44Å; I503-F623 HydrophobicContact CD1-CB 4.02Å; V619-F623 VanDerWaalsContact O-CB 3.23Å; V619-F623 WeakPolarHBondContact O-CB 3.41Å; V619-F623 PolarHBondContact O-N 2.95Å; S620-F623 WeakPolarHBondContact O-CB 3.33Å; S620-F623 PolarHBondContact O-N 2.84Å; F623-K625 VanDerWaalsContact C-N 3.26Å; F623-K625 PolarHBondContact O-N 3.13Å; F623-M626 PolarHBondContact O-N 2.84Å; F623-V627 HydrophobicContact CD1-CG2 4.31Å; F623-V627 HydrophobicContact CD2-CG2 4.29Å; F623-V627 HydrophobicContact CE1-CG2 4.02Å; F623-V627 HydrophobicContact CE2-CG2 4.02Å; F623-V627 HydrophobicContact CG-CG2 4.43Å; F623-V627 HydrophobicContact CZ-CG2 3.88Å; F623-V627 VanDerWaalsContact O-CG2 3.31Å; F623-V627 WeakPolarHBondContact O-CG2 3.38Å; F623-V627 PolarHBondContact O-N 3.18Å
624	W	89.5	Confident	89.2	Confident	14 Å²	14	42.6 Å²	42.6	5%	0.053	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-29.9	-179.7	-76.6	105.4	0	0	0	113.2	L335 I336 R464 S620 V627 R628 F1023	L335-W624 HydrophobicContact CB-CH2 3.95Å; I336-W624 HydrophobicContact CB-CH2 4.43Å; I336-W624 HydrophobicContact CB-CZ2 4.13Å; I336-W624 HydrophobicContact CD1-CH2 4.49Å; I336-W624 HydrophobicContact CD1-CZ2 4.13Å; R464-W624 HydrophobicContact CB-CZ2 4.07Å; R464-W624 PolarHBondContact O-NE1 2.78Å; S620-W624 VanDerWaalsContact O-CD1 3.25Å; S620-W624 PolarHBondContact O-N 2.93Å; W624-V627 HydrophobicContact CE3-CG1 4.39Å; W624-V627 HydrophobicContact CZ3-CG1 4.36Å; W624-R628 VanDerWaalsContact C-NH2 3.31Å; W624-R628 VanDerWaalsContact O-CG 3.27Å; W624-R628 WeakPolarHBondContact O-CG 3.3Å; W624-R628 VanDerWaalsContact O-CZ 3.28Å; W624-R628 PolarHBondContact O-N 2.85Å; W624-R628 VanDerWaalsContact O-N 3.16Å; W624-R628 PolarHBondContact O-NE 2.72Å; W624-R628 PolarHBondContact O-NH2 3.22Å; W624-F1023 HydrophobicContact CZ3-CE2 4.33Å; W624-F1023 HydrophobicContact CZ3-CZ 4.08Å
625	K	89.4	Confident	88.8	Confident	114 Å²	114	40.2 Å²	40.2	50%	0.496	20%	0.197	S	C	.	.	H	α-helix	trans	-61.7	-55.6	170.6	-177.2	-178.9	172	-176.2	0	111.3	D621 C622 F623 V627 R628 E629	D621-K625 VanDerWaalsContact O-CB 3.27Å; D621-K625 WeakPolarHBondContact O-CB 3.35Å; D621-K625 PolarHBondContact O-N 3.45Å; C622-K625 PolarHBondContact O-N 3.25Å; F623-K625 VanDerWaalsContact C-N 3.26Å; F623-K625 PolarHBondContact O-N 3.13Å; K625-V627 VanDerWaalsContact C-N 3.32Å; K625-V627 PolarHBondContact O-N 3.06Å; K625-R628 PolarHBondContact O-N 2.91Å; K625-E629 WeakPolarHBondContact CE-OE1 3.47Å; K625-E629 IonicContact NZ-OE1 2.93Å; K625-E629 WeakPolarHBondContact O-CG 3.22Å; K625-E629 PolarHBondContact O-N 2.58Å; K625-E629 VanDerWaalsContact O-N 3.07Å
626	M	88.4	Confident	88.5	Confident	24 Å²	24	44.5 Å²	44.5	12%	0.118	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-34.1	-179.2	-66.6	-167.8	-142.2	0	0	112.5	P360 I503 R532 L567 C622 F623 R628 E629 S630	P360-M626 HydrophobicContact CB-CB 4.19Å; P360-M626 HydrophobicContact CG-CB 3.64Å; I503-M626 HydrophobicContact CD1-CE 3.79Å; I503-M626 HydrophobicContact CD1-SD 4.18Å; I503-M626 HydrophobicContact CG1-CE 3.64Å; I503-M626 HydrophobicContact CG1-SD 3.83Å; R532-M626 HydrophobicContact CB-CE 3.97Å; R532-M626 HydrophobicContact CB-SD 4.46Å; L567-M626 HydrophobicContact CD1-CE 4.4Å; C622-M626 PolarHBondContact O-N 3.36Å; C622-M626 VanDerWaalsContact SG-CE 3.51Å; F623-M626 PolarHBondContact O-N 2.84Å; M626-R628 PolarHBondContact O-N 3.49Å; M626-E629 PolarHBondContact O-N 2.9Å; M626-S630 WeakPolarHBondContact O-CB 3.29Å; M626-S630 PolarHBondContact O-N 3.28Å; M626-S630 PolarHBondContact O-OG 2.93Å
627	V	89	Confident	88.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-46.1	176.1	169.8	0	0	0	0	110.3	Y339 P360 F623 W624 K625 S630 V631 F1023	Y339-V627 HydrophobicContact CD2-CG1 4.07Å; Y339-V627 HydrophobicContact CE1-CG2 4.26Å; Y339-V627 HydrophobicContact CE2-CG1 3.77Å; Y339-V627 HydrophobicContact CE2-CG2 4.02Å; P360-V627 HydrophobicContact CB-CG2 3.98Å; P360-V627 HydrophobicContact CG-CG2 3.99Å; F623-V627 HydrophobicContact CD1-CG2 4.31Å; F623-V627 HydrophobicContact CD2-CG2 4.29Å; F623-V627 HydrophobicContact CE1-CG2 4.02Å; F623-V627 HydrophobicContact CE2-CG2 4.02Å; F623-V627 HydrophobicContact CG-CG2 4.43Å; F623-V627 HydrophobicContact CZ-CG2 3.88Å; F623-V627 VanDerWaalsContact O-CG2 3.31Å; F623-V627 WeakPolarHBondContact O-CG2 3.38Å; F623-V627 PolarHBondContact O-N 3.18Å; W624-V627 HydrophobicContact CE3-CG1 4.39Å; W624-V627 HydrophobicContact CZ3-CG1 4.36Å; K625-V627 VanDerWaalsContact C-N 3.32Å; K625-V627 PolarHBondContact O-N 3.06Å; V627-S630 PolarHBondContact O-N 3.27Å; V627-S630 PolarHBondContact O-OG 2.84Å; V627-V631 VanDerWaalsContact O-CB 3.3Å; V627-V631 WeakPolarHBondContact O-CB 3.26Å; V627-V631 VanDerWaalsContact O-CG1 3.26Å; V627-V631 WeakPolarHBondContact O-CG1 3.47Å; V627-V631 PolarHBondContact O-N 3.09Å; V627-F1023 HydrophobicContact CG1-CE1 3.97Å; V627-F1023 HydrophobicContact CG1-CZ 3.8Å
628	R	87.4	Confident	87.9	Confident	103 Å²	103	43.8 Å²	43.8	39%	0.389	22%	0.217	S	C	.	.	H	α-helix	trans	-60.4	-44.7	174.7	-72.5	178.6	-70.6	-121.4	-0.5	113	W624 K625 M626 S630 L1027	W624-R628 VanDerWaalsContact C-NH2 3.31Å; W624-R628 VanDerWaalsContact O-CG 3.27Å; W624-R628 WeakPolarHBondContact O-CG 3.3Å; W624-R628 VanDerWaalsContact O-CZ 3.28Å; W624-R628 PolarHBondContact O-N 2.85Å; W624-R628 VanDerWaalsContact O-N 3.16Å; W624-R628 PolarHBondContact O-NE 2.72Å; W624-R628 PolarHBondContact O-NH2 3.22Å; K625-R628 PolarHBondContact O-N 2.91Å; M626-R628 PolarHBondContact O-N 3.49Å; R628-S630 VanDerWaalsContact C-N 3.33Å; R628-S630 PolarHBondContact O-N 3.12Å; R628-L1027 HydrophobicContact CG-CD1 4Å; R628-L1027 HydrophobicContact CG-CD2 4.13Å; R628-L1027 HydrophobicContact CG-CG 4.48Å
629	E	85.8	Confident	87.7	Confident	106 Å²	106	46 Å²	46	50%	0.495	22%	0.221	S	C	.	.	H	α-helix	trans	-71.5	-25.9	-177.3	-70.5	171.5	174.8	0	0	113.3	K625 M626 Q633	K625-E629 WeakPolarHBondContact CE-OE1 3.47Å; K625-E629 IonicContact NZ-OE1 2.93Å; K625-E629 WeakPolarHBondContact O-CG 3.22Å; K625-E629 PolarHBondContact O-N 2.58Å; K625-E629 VanDerWaalsContact O-N 3.07Å; M626-E629 PolarHBondContact O-N 2.9Å; E629-Q633 PolarHBondContact O-NE2 2.9Å
630	S	86.3	Confident	87.5	Confident	4 Å²	4	48.4 Å²	48.4	3%	0.028	24%	0.241	C	C	.	.	H	α-helix	trans	-98.1	-35.7	-175	62.9	0	0	0	0	114.8	P360 M626 V627 R628 E632 Q633 Q634	P360-S630 WeakPolarHBondContact CD-OG 3.36Å; M626-S630 WeakPolarHBondContact O-CB 3.29Å; M626-S630 PolarHBondContact O-N 3.28Å; M626-S630 PolarHBondContact O-OG 2.93Å; V627-S630 PolarHBondContact O-N 3.27Å; V627-S630 PolarHBondContact O-OG 2.84Å; R628-S630 VanDerWaalsContact C-N 3.33Å; R628-S630 PolarHBondContact O-N 3.12Å; S630-E632 PolarHBondContact O-N 3.3Å; S630-Q633 WeakPolarHBondContact O-CB 3.43Å; S630-Q633 PolarHBondContact O-N 2.99Å; S630-Q634 PolarHBondContact O-N 3.5Å
631	V	86.1	Confident	87.2	Confident	1 Å²	1	50 Å²	50	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-70.4	-34	-167.3	73.2	0	0	0	0	113.4	L359 V627 Q633 Q634 A635 L1020 F1023 I1024	L359-V631 HydrophobicContact CD2-CB 4.46Å; L359-V631 HydrophobicContact CD2-CG2 4.36Å; V627-V631 VanDerWaalsContact O-CB 3.3Å; V627-V631 WeakPolarHBondContact O-CB 3.26Å; V627-V631 VanDerWaalsContact O-CG1 3.26Å; V627-V631 WeakPolarHBondContact O-CG1 3.47Å; V627-V631 PolarHBondContact O-N 3.09Å; V631-Q633 VanDerWaalsContact C-N 3.33Å; V631-Q634 PolarHBondContact O-N 3.31Å; V631-A635 WeakPolarHBondContact O-CB 3.38Å; V631-A635 PolarHBondContact O-N 2.93Å; V631-L1020 HydrophobicContact CG2-CD2 3.68Å; V631-F1023 HydrophobicContact CB-CE1 4.35Å; V631-F1023 HydrophobicContact CG1-CE1 4.19Å; V631-F1023 HydrophobicContact CG2-CD1 3.88Å; V631-F1023 HydrophobicContact CG2-CE1 3.9Å; V631-I1024 HydrophobicContact CG1-CD1 4.41Å; V631-I1024 HydrophobicContact CG1-CG1 3.95Å; V631-I1024 HydrophobicContact CG2-CD1 4.28Å; V631-I1024 HydrophobicContact CG2-CG1 4.15Å
632	E	85.1	Confident	87	Confident	91 Å²	91	47.6 Å²	47.6	43%	0.425	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-44.9	173.2	-64.5	177.1	-174.2	0	0	110.3	S630 Q634 A635 D636	S630-E632 PolarHBondContact O-N 3.3Å; E632-Q634 PolarHBondContact O-N 2.91Å; E632-A635 PolarHBondContact O-N 3.44Å; E632-D636 PolarHBondContact O-N 2.93Å
633	Q	84.9	Confident	87	Confident	121 Å²	121	53.1 Å²	53.1	57%	0.565	26%	0.257	S	S	*	.	H	α-helix	trans	-64.1	-41.4	177.9	-53.4	180	24.7	0	0	112	E629 S630 V631 D636 V637	E629-Q633 PolarHBondContact O-NE2 2.9Å; S630-Q633 WeakPolarHBondContact O-CB 3.43Å; S630-Q633 PolarHBondContact O-N 2.99Å; V631-Q633 VanDerWaalsContact C-N 3.33Å; Q633-D636 PolarHBondContact O-N 2.88Å; Q633-V637 WeakPolarHBondContact O-CG2 3.15Å; Q633-V637 PolarHBondContact O-N 3.35Å; Q633-V637 VanDerWaalsContact O-N 3.07Å
634	Q	83.6	Confident	86.8	Confident	16 Å²	16	58.2 Å²	58.2	8%	0.075	28%	0.284	C	S	.	.	H	α-helix	trans	-67.9	-41.7	177	-65.3	-51.8	-64.5	0	0	111.9	H358 L359 S630 V631 E632 D636 V637 F638	H358-Q634 VanDerWaalsContact CB-CD 3.49Å; H358-Q634 HydrophobicContact CB-CG 4.27Å; L359-Q634 HydrophobicContact CD2-CB 4.33Å; L359-Q634 HydrophobicContact CD2-CG 3.91Å; L359-Q634 HydrophobicContact CG-CG 4.39Å; S630-Q634 PolarHBondContact O-N 3.5Å; V631-Q634 PolarHBondContact O-N 3.31Å; E632-Q634 PolarHBondContact O-N 2.91Å; Q634-D636 VanDerWaalsContact C-N 3.28Å; Q634-D636 PolarHBondContact O-N 3.28Å; Q634-V637 PolarHBondContact O-N 3.24Å; Q634-F638 VanDerWaalsContact O-CD2 3.26Å; Q634-F638 WeakPolarHBondContact O-CD2 3.39Å; Q634-F638 PolarHBondContact O-N 3.02Å
635	A	85	Confident	86.8	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-39.6	174.9	0	0	0	0	0	111.8	V631 E632 F638 K639 L1020 I1024	V631-A635 WeakPolarHBondContact O-CB 3.38Å; V631-A635 PolarHBondContact O-N 2.93Å; E632-A635 PolarHBondContact O-N 3.44Å; A635-F638 PolarHBondContact O-N 3.13Å; A635-K639 VanDerWaalsContact O-CG 3.26Å; A635-K639 WeakPolarHBondContact O-CG 3.14Å; A635-K639 PolarHBondContact O-N 3.11Å; A635-L1020 HydrophobicContact CB-CB 4.4Å; A635-I1024 HydrophobicContact CB-CD1 3.57Å
636	D	86.2	Confident	86.8	Confident	90 Å²	90	55 Å²	55	48%	0.481	27%	0.272	S	S	.	.	H	α-helix	trans	-68.9	-34.6	176.2	-74	-8.7	0	0	0	113.3	E632 Q633 Q634 K639 A640	E632-D636 PolarHBondContact O-N 2.93Å; Q633-D636 PolarHBondContact O-N 2.88Å; Q634-D636 VanDerWaalsContact C-N 3.28Å; Q634-D636 PolarHBondContact O-N 3.28Å; D636-K639 PolarHBondContact O-N 3.04Å; D636-K639 WeakPolarHBondContact OD1-CD 3.34Å; D636-K639 WeakPolarHBondContact OD1-CE 3.37Å; D636-K639 IonicContact OD1-NZ 2.96Å; D636-K639 PolarHBondContact OD1-NZ 3.32Å; D636-A640 WeakPolarHBondContact O-CB 3.33Å; D636-A640 PolarHBondContact O-N 3.44Å
637	V	85.3	Confident	86.8	Confident	62 Å²	62	56.1 Å²	56.1	38%	0.376	28%	0.28	S	S	.	.	H	α-helix	trans	-62	-44.7	169.5	170	0	0	0	0	111.1	Q633 Q634 A640 S641	Q633-V637 WeakPolarHBondContact O-CG2 3.15Å; Q633-V637 PolarHBondContact O-N 3.35Å; Q633-V637 VanDerWaalsContact O-N 3.07Å; Q634-V637 PolarHBondContact O-N 3.24Å; V637-A640 PolarHBondContact O-N 3.43Å; V637-S641 PolarHBondContact O-N 3.34Å; V637-S641 PolarHBondContact O-OG 3.38Å
638	F	84.6	Confident	86.8	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-68.4	-36.3	177.3	-78.8	-71.8	0	0	0	113.1	L346 Q634 A635 S641 R642 V1013 I1016 L1020	L346-F638 HydrophobicContact CD2-CE1 4.29Å; L346-F638 HydrophobicContact CD2-CE2 3.71Å; L346-F638 HydrophobicContact CD2-CZ 3.38Å; Q634-F638 VanDerWaalsContact O-CD2 3.26Å; Q634-F638 WeakPolarHBondContact O-CD2 3.39Å; Q634-F638 PolarHBondContact O-N 3.02Å; A635-F638 PolarHBondContact O-N 3.13Å; F638-S641 PolarHBondContact O-N 3.06Å; F638-R642 WeakPolarHBondContact O-CB 3.33Å; F638-R642 PolarHBondContact O-N 2.69Å; F638-V1013 HydrophobicContact CD1-CG1 4.36Å; F638-I1016 HydrophobicContact CD1-CG2 3.81Å; F638-I1016 HydrophobicContact CD2-CG2 4Å; F638-I1016 HydrophobicContact CE1-CD1 4.39Å; F638-I1016 HydrophobicContact CE1-CG2 3.87Å; F638-I1016 HydrophobicContact CE2-CG2 4.07Å; F638-I1016 HydrophobicContact CG-CG2 3.89Å; F638-I1016 HydrophobicContact CZ-CG2 4.02Å; F638-L1020 HydrophobicContact CB-CD1 4.47Å; F638-L1020 HydrophobicContact CD2-CD1 3.61Å; F638-L1020 HydrophobicContact CE2-CD1 4.26Å; F638-L1020 HydrophobicContact CG-CD1 4.26Å
639	K	88	Confident	86.8	Confident	76 Å²	76	54.2 Å²	54.2	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-59.5	-44.9	170.4	-71.2	166.7	-156.7	161.1	0	111.7	A635 D636 R642 F643 Q1017 E1021	A635-K639 VanDerWaalsContact O-CG 3.26Å; A635-K639 WeakPolarHBondContact O-CG 3.14Å; A635-K639 PolarHBondContact O-N 3.11Å; D636-K639 PolarHBondContact O-N 3.04Å; D636-K639 WeakPolarHBondContact OD1-CD 3.34Å; D636-K639 WeakPolarHBondContact OD1-CE 3.37Å; D636-K639 IonicContact OD1-NZ 2.96Å; D636-K639 PolarHBondContact OD1-NZ 3.32Å; K639-R642 PolarHBondContact O-N 2.91Å; K639-F643 WeakPolarHBondContact O-CB 3.25Å; K639-F643 PolarHBondContact O-N 3.35Å; K639-Q1017 HydrophobicContact CG-CG 4.32Å; K639-E1021 WeakPolarHBondContact CE-OE1 3.43Å
640	A	87.8	Confident	86.9	Confident	51 Å²	51	54.4 Å²	54.4	42%	0.421	27%	0.274	S	S	.	.	H	α-helix	trans	-64.5	-45.9	177.5	0	0	0	0	0	112	D636 V637 R642 F643 N644	D636-A640 WeakPolarHBondContact O-CB 3.33Å; D636-A640 PolarHBondContact O-N 3.44Å; V637-A640 PolarHBondContact O-N 3.43Å; A640-R642 VanDerWaalsContact C-N 3.34Å; A640-R642 PolarHBondContact O-N 3.36Å; A640-F643 PolarHBondContact O-N 2.8Å; A640-N644 VanDerWaalsContact O-CG 3.25Å; A640-N644 PolarHBondContact O-N 3.21Å; A640-N644 PolarHBondContact O-ND2 3.06Å
641	S	85.9	Confident	87	Confident	40 Å²	40	59.9 Å²	59.9	28%	0.28	30%	0.304	S	S	.	.	H	α-helix	trans	-59.4	-43.3	174.7	-67	0	0	0	0	112.1	V637 F638 N644 L645	V637-S641 PolarHBondContact O-N 3.34Å; V637-S641 PolarHBondContact O-OG 3.38Å; F638-S641 PolarHBondContact O-N 3.06Å; S641-N644 PolarHBondContact O-N 3.18Å; S641-L645 WeakPolarHBondContact O-CG 3.4Å; S641-L645 PolarHBondContact O-N 2.92Å
642	R	87.3	Confident	87	Confident	58 Å²	58	63.8 Å²	63.8	22%	0.219	32%	0.324	C	S	.	.	H	α-helix	trans	-60.5	-47.9	174.2	-173.3	-176.7	160	174.7	-3.3	111.8	F638 K639 A640 N644 L645 E646 V1013	F638-R642 WeakPolarHBondContact O-CB 3.33Å; F638-R642 PolarHBondContact O-N 2.69Å; K639-R642 PolarHBondContact O-N 2.91Å; A640-R642 VanDerWaalsContact C-N 3.34Å; A640-R642 PolarHBondContact O-N 3.36Å; R642-N644 VanDerWaalsContact C-N 3.26Å; R642-N644 PolarHBondContact O-N 3.47Å; R642-L645 PolarHBondContact O-N 2.92Å; R642-E646 HydrophobicContact CG-CG 4.34Å; R642-E646 IonicContact CZ-OE1 3.67Å; R642-E646 VanDerWaalsContact CZ-OE1 3.27Å; R642-E646 IonicContact NE-OE1 2.79Å; R642-E646 PolarHBondContact NE-OE1 2.96Å; R642-E646 IonicContact NH2-OE1 2.69Å; R642-E646 PolarHBondContact NH2-OE1 2.98Å; R642-E646 WeakPolarHBondContact O-CB 3.44Å; R642-E646 PolarHBondContact O-N 2.86Å; R642-V1013 HydrophobicContact CB-CG1 3.74Å; R642-V1013 HydrophobicContact CG-CG1 4.43Å
643	F	89.1	Confident	87.1	Confident	138 Å²	138	62.1 Å²	62.1	61%	0.605	32%	0.315	S	S	*	.	H	α-helix	trans	-60	-39.9	179.7	-179.1	-93.2	0	0	0	111.3	K639 A640 T647	K639-F643 WeakPolarHBondContact O-CB 3.25Å; K639-F643 PolarHBondContact O-N 3.35Å; A640-F643 PolarHBondContact O-N 2.8Å; F643-T647 VanDerWaalsContact O-CB 3.28Å; F643-T647 WeakPolarHBondContact O-CB 3.48Å; F643-T647 PolarHBondContact O-N 3.3Å; F643-T647 PolarHBondContact O-OG1 2.95Å
644	N	89	Confident	86.8	Confident	107 Å²	107	61.2 Å²	61.2	57%	0.572	32%	0.319	S	S	*	.	H	α-helix	trans	-63.5	-46.7	175.3	-67.5	-26.2	0	0	0	111.9	A640 S641 R642 T647 E648	A640-N644 VanDerWaalsContact O-CG 3.25Å; A640-N644 PolarHBondContact O-N 3.21Å; A640-N644 PolarHBondContact O-ND2 3.06Å; S641-N644 PolarHBondContact O-N 3.18Å; R642-N644 VanDerWaalsContact C-N 3.26Å; R642-N644 PolarHBondContact O-N 3.47Å; N644-T647 PolarHBondContact O-N 2.91Å; N644-E648 PolarHBondContact O-N 3.3Å
645	L	88.2	Confident	86.6	Confident	30 Å²	30	72 Å²	72	16%	0.157	36%	0.359	C	S	.	.	H	α-helix	trans	-65.3	-44.4	177.7	-70.6	171.1	0	0	0	112.8	S641 R642 T647 E648 W649 L1006 D1009 L1010 V1013	S641-L645 WeakPolarHBondContact O-CG 3.4Å; S641-L645 PolarHBondContact O-N 2.92Å; R642-L645 PolarHBondContact O-N 2.92Å; L645-T647 VanDerWaalsContact C-N 3.27Å; L645-T647 PolarHBondContact O-N 3.39Å; L645-E648 PolarHBondContact O-N 2.87Å; L645-W649 PolarHBondContact O-N 3.3Å; L645-L1006 HydrophobicContact CD2-CD2 3.76Å; L645-D1009 HydrophobicContact CD1-CB 4.24Å; L645-L1010 HydrophobicContact CB-CB 4.31Å; L645-L1010 HydrophobicContact CB-CD1 4.35Å; L645-L1010 HydrophobicContact CB-CG 4.17Å; L645-V1013 HydrophobicContact CD1-CB 4.44Å; L645-V1013 HydrophobicContact CD1-CG2 4.1Å
646	E	89.4	Confident	86.4	Confident	30 Å²	30	75.6 Å²	75.6	14%	0.14	38%	0.378	C	S	.	.	H	α-helix	trans	-62.2	-34.6	173.5	-80.5	-164.8	-160.4	0	0	112	R642 K650 L1010 R1014	R642-E646 HydrophobicContact CG-CG 4.34Å; R642-E646 IonicContact CZ-OE1 3.67Å; R642-E646 VanDerWaalsContact CZ-OE1 3.27Å; R642-E646 IonicContact NE-OE1 2.79Å; R642-E646 PolarHBondContact NE-OE1 2.96Å; R642-E646 IonicContact NH2-OE1 2.69Å; R642-E646 PolarHBondContact NH2-OE1 2.98Å; R642-E646 WeakPolarHBondContact O-CB 3.44Å; R642-E646 PolarHBondContact O-N 2.86Å; E646-K650 WeakPolarHBondContact O-CB 3.22Å; E646-K650 VanDerWaalsContact O-CD 3.24Å; E646-K650 WeakPolarHBondContact O-CD 3.46Å; E646-K650 WeakPolarHBondContact O-CG 3.32Å; E646-K650 PolarHBondContact O-N 3.26Å; E646-K650 IonicContact OE2-NZ 3.75Å; E646-K650 PolarHBondContact OE2-NZ 2.95Å; E646-L1010 HydrophobicContact CG-CD1 3.97Å; E646-L1010 HydrophobicContact CG-CD2 4.09Å; E646-L1010 HydrophobicContact CG-CG 4.18Å; E646-R1014 IonicContact OE1-NH2 2.63Å
647	T	89.1	Confident	86.2	Confident	47 Å²	47	79.6 Å²	79.6	29%	0.288	39%	0.386	S	S	.	.	H	α-helix	trans	-70.7	-42.8	175.1	-57	0	0	0	0	110.8	F643 N644 L645 W649 K650 N651	F643-T647 VanDerWaalsContact O-CB 3.28Å; F643-T647 WeakPolarHBondContact O-CB 3.48Å; F643-T647 PolarHBondContact O-N 3.3Å; F643-T647 PolarHBondContact O-OG1 2.95Å; N644-T647 PolarHBondContact O-N 2.91Å; L645-T647 VanDerWaalsContact C-N 3.27Å; L645-T647 PolarHBondContact O-N 3.39Å; T647-W649 VanDerWaalsContact C-N 3.34Å; T647-W649 PolarHBondContact O-N 3.24Å; T647-K650 PolarHBondContact O-N 3.07Å; T647-N651 WeakPolarHBondContact O-CB 3.42Å; T647-N651 PolarHBondContact O-N 3.32Å; T647-N651 PolarHBondContact O-ND2 3.23Å
648	E	88.7	Confident	86	Confident	50 Å²	50	79 Å²	79	23%	0.234	38%	0.379	C	S	.	.	H	α-helix	trans	-61.7	-42.1	174.4	-173.6	173.4	155.9	0	0	111.5	N644 L645 N651 N652 R1002 L1006	N644-E648 PolarHBondContact O-N 3.3Å; L645-E648 PolarHBondContact O-N 2.87Å; E648-N651 PolarHBondContact O-N 3.49Å; E648-N652 VanDerWaalsContact CG-ND2 3.26Å; E648-N652 WeakPolarHBondContact CG-ND2 3.39Å; E648-N652 WeakPolarHBondContact O-CB 3.46Å; E648-N652 PolarHBondContact O-N 3.02Å; E648-N652 PolarHBondContact O-ND2 3.07Å; E648-N652 PolarHBondContact OE1-ND2 3.1Å; E648-R1002 VanDerWaalsContact CD-NH2 3.33Å; E648-R1002 IonicContact OE1-CZ 2.71Å; E648-R1002 IonicContact OE1-NE 3.85Å; E648-R1002 PolarHBondContact OE1-NE 3.23Å; E648-R1002 IonicContact OE1-NH2 3.09Å; E648-R1002 PolarHBondContact OE1-NH2 2.99Å; E648-R1002 IonicContact OE2-NH2 2.66Å; E648-R1002 PolarHBondContact OE2-NH2 3.43Å; E648-L1006 HydrophobicContact CG-CD1 4.07Å; E648-L1006 HydrophobicContact CG-CD2 4.32Å; E648-L1006 WeakPolarHBondContact OE1-CD1 3.21Å
649	W	87.9	Confident	86	Confident	13 Å²	13	80.8 Å²	80.8	5%	0.049	39%	0.389	C	S	.	.	H	α-helix	trans	-59.7	-50.7	173.7	-174.2	-86	0	0	0	111.9	L645 T647 N651 N652 Y653 L656 R657 E658 R1003 L1006 A1007 L1010	L645-W649 PolarHBondContact O-N 3.3Å; T647-W649 VanDerWaalsContact C-N 3.34Å; T647-W649 PolarHBondContact O-N 3.24Å; W649-N651 VanDerWaalsContact C-N 3.27Å; W649-N651 PolarHBondContact O-N 3.33Å; W649-N652 PolarHBondContact O-N 3.22Å; W649-Y653 HydrophobicContact CD2-CD2 4.17Å; W649-Y653 AromaticContact CE3-CD2 3.93Å; W649-Y653 HydrophobicContact CE3-CD2 3.93Å; W649-Y653 HydrophobicContact CH2-CD2 4.47Å; W649-Y653 HydrophobicContact CZ3-CD2 4.1Å; W649-Y653 CarbonylContact O-C 3.41Å; W649-Y653 WeakPolarHBondContact O-CA 3.35Å; W649-Y653 PolarHBondContact O-N 2.73Å; W649-L656 HydrophobicContact CZ2-CB 4.18Å; W649-L656 PolarHBondContact NE1-O 3.33Å; W649-R657 WeakPolarHBondContact CZ2-O 3.43Å; W649-E658 HydrophobicContact CD2-CG 4.17Å; W649-E658 HydrophobicContact CG-CG 4.48Å; W649-E658 HydrophobicContact CZ2-CG 4.3Å; W649-R1003 HydrophobicContact CH2-CG 3.55Å; W649-R1003 HydrophobicContact CZ3-CG 3.71Å; W649-R1003 WeakPolarHBondContact CZ3-O 3.18Å; W649-L1006 HydrophobicContact CE3-CB 4.18Å; W649-L1006 HydrophobicContact CZ3-CB 4.5Å; W649-A1007 HydrophobicContact CH2-CB 4.23Å; W649-A1007 HydrophobicContact CZ3-CB 3.82Å; W649-L1010 HydrophobicContact CB-CD1 4.18Å
650	K	87.9	Confident	85.7	Confident	110 Å²	110	78.4 Å²	78.4	48%	0.478	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-32.1	-178.9	-71.1	160.2	-162.2	165.7	0	112.3	E646 T647 P654	E646-K650 WeakPolarHBondContact O-CB 3.22Å; E646-K650 VanDerWaalsContact O-CD 3.24Å; E646-K650 WeakPolarHBondContact O-CD 3.46Å; E646-K650 WeakPolarHBondContact O-CG 3.32Å; E646-K650 PolarHBondContact O-N 3.26Å; E646-K650 IonicContact OE2-NZ 3.75Å; E646-K650 PolarHBondContact OE2-NZ 2.95Å; T647-K650 PolarHBondContact O-N 3.07Å; K650-P654 WeakPolarHBondContact O-CB 3.29Å
651	N	89.1	Confident	85.6	Confident	120 Å²	120	77.8 Å²	77.8	64%	0.642	37%	0.367	S	S	*	.	H	α-helix	trans	-74.9	-43.7	176.2	-71.8	-19.9	0	0	0	113	T647 E648 W649	T647-N651 WeakPolarHBondContact O-CB 3.42Å; T647-N651 PolarHBondContact O-N 3.32Å; T647-N651 PolarHBondContact O-ND2 3.23Å; E648-N651 PolarHBondContact O-N 3.49Å; W649-N651 VanDerWaalsContact C-N 3.27Å; W649-N651 PolarHBondContact O-N 3.33Å
652	N	85.7	Confident	85.6	Confident	83 Å²	83	79.9 Å²	79.9	44%	0.444	38%	0.375	S	S	.	.	H	α-helix	trans	-87.3	-31.7	-174.1	-68.5	-25.6	0	0	0	113.4	E648 W649 P654	E648-N652 VanDerWaalsContact CG-ND2 3.26Å; E648-N652 WeakPolarHBondContact CG-ND2 3.39Å; E648-N652 WeakPolarHBondContact O-CB 3.46Å; E648-N652 PolarHBondContact O-N 3.02Å; E648-N652 PolarHBondContact O-ND2 3.07Å; E648-N652 PolarHBondContact OE1-ND2 3.1Å; W649-N652 PolarHBondContact O-N 3.22Å; N652-P654 VanDerWaalsContact C-CD 3.48Å
653	Y	85.9	Confident	85.6	Confident	56 Å²	56	80.5 Å²	80.5	22%	0.22	38%	0.38	C	S	.	.			trans	-134.5	46.9	-169.5	-54.1	-59.7	0	0	0	113.6	W649 R655 L656 R1003 L1006	W649-Y653 HydrophobicContact CD2-CD2 4.17Å; W649-Y653 AromaticContact CE3-CD2 3.93Å; W649-Y653 HydrophobicContact CE3-CD2 3.93Å; W649-Y653 HydrophobicContact CH2-CD2 4.47Å; W649-Y653 HydrophobicContact CZ3-CD2 4.1Å; W649-Y653 CarbonylContact O-C 3.41Å; W649-Y653 WeakPolarHBondContact O-CA 3.35Å; W649-Y653 PolarHBondContact O-N 2.73Å; Y653-R655 PolarHBondContact O-N 2.93Å; Y653-L656 HydrophobicContact CD1-CD1 4.03Å; Y653-L656 HydrophobicContact CG-CD1 4.46Å; Y653-L656 PolarHBondContact O-N 3.32Å; Y653-R1003 HydrophobicContact CD1-CG 4.28Å; Y653-R1003 HydrophobicContact CD2-CB 4.44Å; Y653-R1003 HydrophobicContact CD2-CG 3.97Å; Y653-R1003 HydrophobicContact CE1-CB 4.15Å; Y653-R1003 HydrophobicContact CE1-CG 4.16Å; Y653-R1003 HydrophobicContact CE2-CB 3.79Å; Y653-R1003 HydrophobicContact CE2-CG 3.83Å; Y653-R1003 HydrophobicContact CG-CG 4.21Å; Y653-R1003 PolarHBondContact OH-N 3.39Å; Y653-L1006 HydrophobicContact CE2-CD1 4.07Å
654	P	79.3	Confident	85.5	Confident	101 Å²	101	74.1 Å²	74.1	66%	0.656	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-10.7	-168	23	-35.3	0	0	0	116.9	K650 N652	K650-P654 WeakPolarHBondContact O-CB 3.29Å; N652-P654 VanDerWaalsContact C-CD 3.48Å
655	R	79.5	Confident	85.6	Confident	243 Å²	243	69.1 Å²	69.1	92%	0.917	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	1.7	-180	-64.6	-175.4	-179.3	174.7	0.2	113.8	Y653	Y653-R655 PolarHBondContact O-N 2.93Å
656	L	80.1	Confident	85.6	Confident	76 Å²	76	71.8 Å²	71.8	40%	0.398	34%	0.337	S	S	.	.	S	Bend	trans	-102.8	135.8	-179.2	-59.5	178.4	0	0	0	110.3	W649 Y653	W649-L656 HydrophobicContact CZ2-CB 4.18Å; W649-L656 PolarHBondContact NE1-O 3.33Å; Y653-L656 HydrophobicContact CD1-CD1 4.03Å; Y653-L656 HydrophobicContact CG-CD1 4.46Å; Y653-L656 PolarHBondContact O-N 3.32Å
657	R	82.5	Confident	85.5	Confident	173 Å²	173	74.3 Å²	74.3	65%	0.653	35%	0.347	S	S	*	.			trans	-68.3	140.7	168.7	164.7	171.9	165.5	180	-9.3	109.4	W649 L659 E663	W649-R657 WeakPolarHBondContact CZ2-O 3.43Å; R657-L659 HydrophobicContact CG-CD2 3.96Å; R657-L659 HydrophobicContact CG-CG 4.21Å; R657-L659 PolarHBondContact O-N 3.35Å; R657-E663 IonicContact NH2-OE1 3.6Å; R657-E663 PolarHBondContact NH2-OE1 2.97Å; R657-E663 IonicContact NH2-OE2 2.8Å
658	E	82.2	Confident	85.5	Confident	50 Å²	50	72 Å²	72	23%	0.234	33%	0.334	C	S	.	.			trans	-57.5	113.5	163.3	-63.8	167.8	-164.7	0	0	108.8	W649 R1014	W649-E658 HydrophobicContact CD2-CG 4.17Å; W649-E658 HydrophobicContact CG-CG 4.48Å; W649-E658 HydrophobicContact CZ2-CG 4.3Å; E658-R1014 IonicContact OE1-NH2 3.18Å; E658-R1014 PolarHBondContact OE1-NH2 2.87Å; E658-R1014 IonicContact OE2-CZ 2.99Å; E658-R1014 VanDerWaalsContact OE2-CZ 3.23Å; E658-R1014 IonicContact OE2-NH1 2.75Å; E658-R1014 PolarHBondContact OE2-NH1 2.91Å; E658-R1014 IonicContact OE2-NH2 2.65Å; E658-R1014 PolarHBondContact OE2-NH2 3.23Å
659	L	82.6	Confident	85.6	Confident	45 Å²	45	70.9 Å²	70.9	24%	0.236	33%	0.328	C	S	.	.			trans	-125.4	132.4	175.3	-65.1	175.4	0	0	0	108.7	R657 E663 L664 A1007	R657-L659 HydrophobicContact CG-CD2 3.96Å; R657-L659 HydrophobicContact CG-CG 4.21Å; R657-L659 PolarHBondContact O-N 3.35Å; L659-E663 VanDerWaalsContact CA-OE2 3.29Å; L659-E663 WeakPolarHBondContact CA-OE2 3.36Å; L659-E663 HydrophobicContact CB-CB 4.25Å; L659-E663 HydrophobicContact CD2-CB 4.2Å; L659-L664 HydrophobicContact CB-CD2 3.98Å; L659-L664 HydrophobicContact CB-CG 3.89Å; L659-L664 HydrophobicContact CD1-CD2 3.97Å; L659-A1007 VanDerWaalsContact O-CB 3.29Å; L659-A1007 WeakPolarHBondContact O-CB 3.28Å
660	D	82.3	Confident	85.6	Confident	25 Å²	25	74.6 Å²	74.6	13%	0.134	35%	0.349	C	S	.	.			trans	-78.7	173.3	176.6	81.8	28.8	0	0	0	112.8	N662 E663 L664 K1011	D660-N662 VanDerWaalsContact C-N 3.26Å; D660-N662 PolarHBondContact O-N 2.83Å; D660-N662 WeakPolarHBondContact OD1-CA 3.43Å; D660-N662 WeakPolarHBondContact OD1-CB 3.3Å; D660-N662 PolarHBondContact OD1-N 2.98Å; D660-E663 PolarHBondContact N-OE2 3.33Å; D660-E663 VanDerWaalsContact N-OE2 3.09Å; D660-E663 PolarHBondContact O-N 3.12Å; D660-E663 PolarHBondContact OD1-N 3.28Å; D660-L664 WeakPolarHBondContact O-CB 3.24Å; D660-L664 VanDerWaalsContact O-CG 3.3Å; D660-L664 WeakPolarHBondContact O-CG 3.33Å; D660-L664 PolarHBondContact O-N 3.04Å; D660-K1011 HydrophobicContact CB-CD 4.13Å; D660-K1011 IonicContact OD2-NZ 2.67Å; D660-K1011 PolarHBondContact OD2-NZ 2.88Å
661	R	85.9	Confident	85.6	Confident	38 Å²	38	71.3 Å²	71.3	14%	0.143	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-29.4	-177.5	-176.3	176.1	-73.9	112.6	16.3	113.7	F665 K995 I999 V1004 E1008	R661-F665 WeakPolarHBondContact O-CB 3.39Å; R661-F665 PolarHBondContact O-N 2.79Å; R661-K995 WeakPolarHBondContact CD-O 3.41Å; R661-K995 HydrophobicContact CG-CB 4.3Å; R661-I999 HydrophobicContact CG-CB 4.07Å; R661-I999 HydrophobicContact CG-CG2 4.09Å; R661-I999 PolarHBondContact NE-O 3.11Å; R661-V1004 HydrophobicContact CB-CG1 4.05Å; R661-V1004 HydrophobicContact CG-CG1 4.43Å; R661-E1008 VanDerWaalsContact CB-OE1 3.29Å; R661-E1008 WeakPolarHBondContact CB-OE1 3.42Å; R661-E1008 IonicContact CZ-OE1 2.59Å; R661-E1008 VanDerWaalsContact CZ-OE1 3.3Å; R661-E1008 IonicContact CZ-OE2 2.64Å; R661-E1008 IonicContact NE-OE1 2.67Å; R661-E1008 IonicContact NH1-OE1 3.54Å; R661-E1008 PolarHBondContact NH1-OE1 2.85Å; R661-E1008 IonicContact NH1-OE2 2.67Å; R661-E1008 PolarHBondContact NH1-OE2 3.43Å; R661-E1008 IonicContact NH2-OE1 2.75Å; R661-E1008 IonicContact NH2-OE2 3.25Å; R661-E1008 PolarHBondContact NH2-OE2 3.04Å
662	N	86.6	Confident	85.6	Confident	84 Å²	84	65.6 Å²	65.6	45%	0.449	30%	0.304	S	S	.	.	H	α-helix	trans	-79.7	-41	176.5	-61.1	-56.9	0	0	0	111.1	D660 L664 F665 E666 K995	D660-N662 VanDerWaalsContact C-N 3.26Å; D660-N662 PolarHBondContact O-N 2.83Å; D660-N662 WeakPolarHBondContact OD1-CA 3.43Å; D660-N662 WeakPolarHBondContact OD1-CB 3.3Å; D660-N662 PolarHBondContact OD1-N 2.98Å; N662-L664 VanDerWaalsContact C-N 3.3Å; N662-L664 PolarHBondContact O-N 2.89Å; N662-F665 PolarHBondContact O-N 2.72Å; N662-E666 PolarHBondContact O-N 2.73Å; N662-K995 PolarHBondContact OD1-NZ 2.84Å
663	E	86.8	Confident	85.7	Confident	72 Å²	72	63.3 Å²	63.3	34%	0.336	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-39.2	172.5	-68.3	-179.1	138.3	0	0	111.5	R657 L659 D660 K667	R657-E663 IonicContact NH2-OE1 3.6Å; R657-E663 PolarHBondContact NH2-OE1 2.97Å; R657-E663 IonicContact NH2-OE2 2.8Å; L659-E663 VanDerWaalsContact CA-OE2 3.29Å; L659-E663 WeakPolarHBondContact CA-OE2 3.36Å; L659-E663 HydrophobicContact CB-CB 4.25Å; L659-E663 HydrophobicContact CD2-CB 4.2Å; D660-E663 PolarHBondContact N-OE2 3.33Å; D660-E663 VanDerWaalsContact N-OE2 3.09Å; D660-E663 PolarHBondContact O-N 3.12Å; D660-E663 PolarHBondContact OD1-N 3.28Å; E663-K667 PolarHBondContact O-N 3.26Å
664	L	87.1	Confident	85.7	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-68	-38.3	172.8	-73.3	171.4	0	0	0	112.5	L659 D660 N662 K667 A668 F768 I999 V1004	L659-L664 HydrophobicContact CB-CD2 3.98Å; L659-L664 HydrophobicContact CB-CG 3.89Å; L659-L664 HydrophobicContact CD1-CD2 3.97Å; D660-L664 WeakPolarHBondContact O-CB 3.24Å; D660-L664 VanDerWaalsContact O-CG 3.3Å; D660-L664 WeakPolarHBondContact O-CG 3.33Å; D660-L664 PolarHBondContact O-N 3.04Å; N662-L664 VanDerWaalsContact C-N 3.3Å; N662-L664 PolarHBondContact O-N 2.89Å; L664-K667 PolarHBondContact O-N 3.02Å; L664-A668 WeakPolarHBondContact O-CB 3.35Å; L664-A668 PolarHBondContact O-N 3.38Å; L664-F768 HydrophobicContact CB-CE1 4.31Å; L664-F768 HydrophobicContact CD2-CE1 4.29Å; L664-F768 HydrophobicContact CD2-CZ 4.23Å; L664-I999 HydrophobicContact CB-CG2 4.27Å; L664-I999 HydrophobicContact CD1-CG2 4.36Å; L664-V1004 HydrophobicContact CD1-CG1 4.2Å; L664-V1004 HydrophobicContact CD1-CG2 4.05Å
665	F	90.1	Very high	86	Confident	3 Å²	3	61.3 Å²	61.3	1%	0.013	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-48.1	174.7	-173.2	-89.6	0	0	0	111.3	R661 N662 K667 A668 K669 L771 L985 F988 G989 K995 I999	R661-F665 WeakPolarHBondContact O-CB 3.39Å; R661-F665 PolarHBondContact O-N 2.79Å; N662-F665 PolarHBondContact O-N 2.72Å; F665-K667 PolarHBondContact O-N 2.77Å; F665-A668 PolarHBondContact O-N 2.81Å; F665-K669 HydrophobicContact CE1-CB 4.47Å; F665-K669 HydrophobicContact CE1-CD 4.16Å; F665-K669 VanDerWaalsContact O-CB 3.26Å; F665-K669 WeakPolarHBondContact O-CB 3.39Å; F665-K669 PolarHBondContact O-N 3.31Å; F665-L771 HydrophobicContact CD2-CD2 3.93Å; F665-L771 HydrophobicContact CE2-CD1 3.88Å; F665-L771 HydrophobicContact CE2-CD2 3.94Å; F665-L985 WeakPolarHBondContact CE1-O 3.47Å; F665-L985 HydrophobicContact CZ-CD2 4.47Å; F665-L985 VanDerWaalsContact CZ-O 3.25Å; F665-L985 WeakPolarHBondContact CZ-O 3.3Å; F665-F988 HydrophobicContact CE2-CB 3.99Å; F665-F988 HydrophobicContact CZ-CB 3.87Å; F665-G989 VanDerWaalsContact CE1-CA 3.43Å; F665-K995 HydrophobicContact CB-CD 4.36Å; F665-K995 HydrophobicContact CD2-CD 4.03Å; F665-K995 HydrophobicContact CD2-CG 3.76Å; F665-K995 HydrophobicContact CE2-CG 4.12Å; F665-K995 HydrophobicContact CG-CD 4.07Å; F665-K995 HydrophobicContact CG-CG 4.32Å; F665-I999 HydrophobicContact CB-CD1 3.68Å; F665-I999 HydrophobicContact CD2-CD1 3.78Å; F665-I999 HydrophobicContact CG-CD1 4.23Å
666	E	88.9	Confident	86.3	Confident	86 Å²	86	50 Å²	50	40%	0.402	24%	0.237	S	C	.	.	H	α-helix	trans	-67	-33.6	178.1	-71.7	-65.1	131.1	0	0	112	N662 K669 N670	N662-E666 PolarHBondContact O-N 2.73Å; E666-K669 WeakPolarHBondContact OE1-CD 3.15Å; E666-K669 IonicContact OE1-NZ 2.74Å; E666-K669 PolarHBondContact OE1-NZ 3.28Å; E666-N670 PolarHBondContact O-N 2.69Å; E666-N670 VanDerWaalsContact O-N 3.16Å; E666-N670 PolarHBondContact O-ND2 3.06Å
667	K	87.8	Confident	86.5	Confident	82 Å²	82	49.6 Å²	49.6	36%	0.357	24%	0.235	S	C	.	.	H	α-helix	trans	-57.9	-53	168.3	-178.9	-175.2	165.5	-164.6	0	110.9	E663 L664 F665 K669 N670 E671 D765 F768	E663-K667 PolarHBondContact O-N 3.26Å; L664-K667 PolarHBondContact O-N 3.02Å; F665-K667 PolarHBondContact O-N 2.77Å; K667-K669 VanDerWaalsContact C-N 3.34Å; K667-K669 PolarHBondContact O-N 2.93Å; K667-N670 PolarHBondContact O-N 2.95Å; K667-E671 PolarHBondContact O-N 3.41Å; K667-E671 VanDerWaalsContact O-N 3.11Å; K667-D765 IonicContact NZ-OD2 2.96Å; K667-D765 PolarHBondContact NZ-OD2 2.91Å; K667-F768 HydrophobicContact CB-CZ 4.27Å; K667-F768 HydrophobicContact CD-CE2 3.93Å; K667-F768 HydrophobicContact CD-CZ 3.89Å; K667-F768 HydrophobicContact CG-CE2 4.12Å; K667-F768 HydrophobicContact CG-CZ 4.15Å
668	A	88.4	Confident	86.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-37	-177.8	0	0	0	0	0	112.9	L664 F665 E671 I672 F768 L771	L664-A668 WeakPolarHBondContact O-CB 3.35Å; L664-A668 PolarHBondContact O-N 3.38Å; F665-A668 PolarHBondContact O-N 2.81Å; A668-E671 PolarHBondContact O-N 2.89Å; A668-I672 WeakPolarHBondContact O-CB 3.38Å; A668-I672 VanDerWaalsContact O-CG1 3.27Å; A668-I672 WeakPolarHBondContact O-CG1 3.39Å; A668-I672 PolarHBondContact O-N 2.76Å; A668-F768 HydrophobicContact CB-CB 4.32Å; A668-F768 HydrophobicContact CB-CD1 3.63Å; A668-F768 HydrophobicContact CB-CD2 3.88Å; A668-F768 HydrophobicContact CB-CE1 3.81Å; A668-F768 HydrophobicContact CB-CE2 4.03Å; A668-F768 HydrophobicContact CB-CG 3.68Å; A668-F768 HydrophobicContact CB-CZ 4Å; A668-L771 HydrophobicContact CB-CD2 3.7Å
669	K	90.6	Very high	86.6	Confident	26 Å²	26	40.3 Å²	40.3	11%	0.113	20%	0.202	C	C	.	.	H	α-helix	trans	-58.9	-45.9	175.4	-177.1	-179	-168.7	170.2	0	111.7	F665 E666 K667 L673 L985 D986	F665-K669 HydrophobicContact CE1-CB 4.47Å; F665-K669 HydrophobicContact CE1-CD 4.16Å; F665-K669 VanDerWaalsContact O-CB 3.26Å; F665-K669 WeakPolarHBondContact O-CB 3.39Å; F665-K669 PolarHBondContact O-N 3.31Å; E666-K669 WeakPolarHBondContact OE1-CD 3.15Å; E666-K669 IonicContact OE1-NZ 2.74Å; E666-K669 PolarHBondContact OE1-NZ 3.28Å; K667-K669 VanDerWaalsContact C-N 3.34Å; K667-K669 PolarHBondContact O-N 2.93Å; K669-L673 HydrophobicContact CG-CD1 4.18Å; K669-L673 WeakPolarHBondContact O-CB 3.48Å; K669-L673 VanDerWaalsContact O-CG 3.22Å; K669-L673 WeakPolarHBondContact O-CG 3.42Å; K669-L673 PolarHBondContact O-N 3.3Å; K669-L985 HydrophobicContact CG-CB 4.22Å; K669-L985 HydrophobicContact CG-CD1 4.18Å; K669-L985 HydrophobicContact CG-CD2 4.41Å; K669-D986 WeakPolarHBondContact CE-OD1 3.38Å; K669-D986 IonicContact NZ-OD1 2.67Å; K669-D986 PolarHBondContact NZ-OD1 2.04Å
670	N	88.6	Confident	86.4	Confident	91 Å²	91	40.9 Å²	40.9	49%	0.487	21%	0.21	S	C	.	.	H	α-helix	trans	-65.8	-43.3	175.8	-71.9	-66.9	0	0	0	111.4	E666 K667 I672 L673 D674	E666-N670 PolarHBondContact O-N 2.69Å; E666-N670 VanDerWaalsContact O-N 3.16Å; E666-N670 PolarHBondContact O-ND2 3.06Å; K667-N670 PolarHBondContact O-N 2.95Å; N670-I672 PolarHBondContact O-N 3.17Å; N670-L673 PolarHBondContact O-N 2.85Å; N670-D674 PolarHBondContact O-N 3.18Å
671	E	87.4	Confident	86.4	Confident	40 Å²	40	46.4 Å²	46.4	19%	0.187	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-44.3	176.8	-168.1	-177.6	135.6	0	0	112.5	K667 A668 D674 E675 Q764 K772	K667-E671 PolarHBondContact O-N 3.41Å; K667-E671 VanDerWaalsContact O-N 3.11Å; A668-E671 PolarHBondContact O-N 2.89Å; E671-D674 PolarHBondContact O-N 3.44Å; E671-E675 WeakPolarHBondContact O-CG 3.47Å; E671-E675 PolarHBondContact O-N 2.76Å; E671-Q764 PolarHBondContact OE1-NE2 3.42Å; E671-K772 WeakPolarHBondContact OE1-CE 3.29Å; E671-K772 IonicContact OE1-NZ 2.85Å; E671-K772 PolarHBondContact OE1-NZ 3.45Å
672	I	88.7	Confident	86.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.2	-39	177.2	-68	166.6	0	0	0	111.4	A668 N670 E675 V676 M756 L771 K772 V775 V981 L985	A668-I672 WeakPolarHBondContact O-CB 3.38Å; A668-I672 VanDerWaalsContact O-CG1 3.27Å; A668-I672 WeakPolarHBondContact O-CG1 3.39Å; A668-I672 PolarHBondContact O-N 2.76Å; N670-I672 PolarHBondContact O-N 3.17Å; I672-E675 PolarHBondContact O-N 3.29Å; I672-V676 WeakPolarHBondContact O-CG2 3.27Å; I672-V676 PolarHBondContact O-N 2.9Å; I672-M756 HydrophobicContact CG1-CE 4.21Å; I672-M756 HydrophobicContact CG2-CE 3.95Å; I672-M756 HydrophobicContact CG2-SD 4.14Å; I672-L771 HydrophobicContact CD1-CG 4.22Å; I672-K772 HydrophobicContact CD1-CG 3.89Å; I672-K772 HydrophobicContact CG1-CD 4.47Å; I672-K772 HydrophobicContact CG1-CG 3.88Å; I672-V775 HydrophobicContact CG2-CG1 4.34Å; I672-V981 HydrophobicContact CG2-CG1 3.9Å; I672-L985 HydrophobicContact CB-CD1 4.29Å; I672-L985 HydrophobicContact CD1-CD2 4.11Å; I672-L985 HydrophobicContact CG2-CD1 3.9Å
673	L	88.4	Confident	86.4	Confident	36 Å²	36	45.1 Å²	45.1	19%	0.188	23%	0.234	C	C	.	.	H	α-helix	trans	-67.1	-38.9	176.7	-71.6	169.8	0	0	0	111.7	K669 N670 V676 I677 K982 L985	K669-L673 HydrophobicContact CG-CD1 4.18Å; K669-L673 WeakPolarHBondContact O-CB 3.48Å; K669-L673 VanDerWaalsContact O-CG 3.22Å; K669-L673 WeakPolarHBondContact O-CG 3.42Å; K669-L673 PolarHBondContact O-N 3.3Å; N670-L673 PolarHBondContact O-N 2.85Å; L673-V676 PolarHBondContact O-N 3.21Å; L673-I677 WeakPolarHBondContact O-CB 3.44Å; L673-I677 WeakPolarHBondContact O-CD1 3.39Å; L673-I677 VanDerWaalsContact O-CG1 3.24Å; L673-I677 WeakPolarHBondContact O-CG1 3.34Å; L673-I677 PolarHBondContact O-N 3.11Å; L673-K982 HydrophobicContact CD2-CB 4.35Å; L673-L985 HydrophobicContact CD2-CD1 4.14Å; L673-L985 HydrophobicContact CG-CD1 4.06Å
674	D	86.5	Confident	86.5	Confident	110 Å²	110	45 Å²	45	59%	0.588	24%	0.239	S	C	*	.	H	α-helix	trans	-64.8	-37.2	173	-76.7	-24.7	0	0	0	112.1	N670 E671 I677 S678	N670-D674 PolarHBondContact O-N 3.18Å; E671-D674 PolarHBondContact O-N 3.44Å; D674-I677 PolarHBondContact O-N 3.32Å; D674-S678 PolarHBondContact O-N 3.45Å
675	E	85.2	Confident	86.6	Confident	5 Å²	5	52.3 Å²	52.3	2%	0.023	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-44.5	172.8	-76.3	170.4	167.8	0	0	112	E671 I672 S678 L679 K772	E671-E675 WeakPolarHBondContact O-CG 3.47Å; E671-E675 PolarHBondContact O-N 2.76Å; I672-E675 PolarHBondContact O-N 3.29Å; E675-S678 PolarHBondContact O-N 2.8Å; E675-S678 VanDerWaalsContact O-N 3.12Å; E675-S678 PolarHBondContact O-OG 3.02Å; E675-L679 PolarHBondContact O-N 3.32Å; E675-K772 IonicContact OE1-NZ 2.97Å; E675-K772 PolarHBondContact OE1-NZ 2.89Å; E675-K772 VanDerWaalsContact OE2-CE 3.32Å; E675-K772 WeakPolarHBondContact OE2-CE 3.27Å; E675-K772 IonicContact OE2-NZ 2.78Å; E675-K772 PolarHBondContact OE2-NZ 3.49Å
676	V	85.7	Confident	86.6	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.024	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-39.2	174.2	168.8	0	0	0	0	112.1	I672 L673 S678 L679 S680 F752 E978 V981	I672-V676 WeakPolarHBondContact O-CG2 3.27Å; I672-V676 PolarHBondContact O-N 2.9Å; L673-V676 PolarHBondContact O-N 3.21Å; V676-S678 PolarHBondContact O-N 3.46Å; V676-L679 WeakPolarHBondContact O-CB 3.3Å; V676-L679 PolarHBondContact O-N 3.46Å; V676-S680 PolarHBondContact O-N 3.01Å; V676-F752 HydrophobicContact CG2-CE2 4.03Å; V676-E978 HydrophobicContact CG1-CB 3.74Å; V676-E978 HydrophobicContact CG1-CG 3.8Å; V676-V981 HydrophobicContact CG2-CB 4.31Å; V676-V981 HydrophobicContact CG2-CG1 3.97Å; V676-V981 HydrophobicContact CG2-CG2 4.16Å
677	I	83.8	Confident	86.7	Confident	68 Å²	68	52 Å²	52	35%	0.349	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-35.4	173.4	-71.9	163.1	0	0	0	110.3	L673 D674 L679 S680	L673-I677 WeakPolarHBondContact O-CB 3.44Å; L673-I677 WeakPolarHBondContact O-CD1 3.39Å; L673-I677 VanDerWaalsContact O-CG1 3.24Å; L673-I677 WeakPolarHBondContact O-CG1 3.34Å; L673-I677 PolarHBondContact O-N 3.11Å; D674-I677 PolarHBondContact O-N 3.32Å; I677-L679 PolarHBondContact O-N 3.16Å; I677-S680 WeakPolarHBondContact O-CB 3.36Å; I677-S680 PolarHBondContact O-N 3.4Å; I677-S680 VanDerWaalsContact O-N 3.14Å; I677-S680 PolarHBondContact O-OG 3.23Å
678	S	83.1	Confident	86.9	Confident	25 Å²	25	50.3 Å²	50.3	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-31.9	176.3	74.3	0	0	0	0	113.9	D674 E675 V676 S680 Q681 F755	D674-S678 PolarHBondContact O-N 3.45Å; E675-S678 PolarHBondContact O-N 2.8Å; E675-S678 VanDerWaalsContact O-N 3.12Å; E675-S678 PolarHBondContact O-OG 3.02Å; V676-S678 PolarHBondContact O-N 3.46Å; S678-S680 PolarHBondContact O-N 3.44Å; S678-Q681 WeakPolarHBondContact O-CB 3.37Å; S678-Q681 PolarHBondContact O-N 2.99Å; S678-F755 WeakPolarHBondContact OG-CD1 3.26Å
679	L	84.3	Confident	87.1	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-32.8	170.5	176.3	66.4	0	0	0	112.2	E675 V676 I677 Q681 V682 W687 L748 E751 F752 F755 L977	E675-L679 PolarHBondContact O-N 3.32Å; V676-L679 WeakPolarHBondContact O-CB 3.3Å; V676-L679 PolarHBondContact O-N 3.46Å; I677-L679 PolarHBondContact O-N 3.16Å; L679-Q681 PolarHBondContact O-N 2.64Å; L679-V682 HydrophobicContact CD1-CG2 4.42Å; L679-V682 WeakPolarHBondContact O-CG2 3.48Å; L679-V682 PolarHBondContact O-N 2.91Å; L679-W687 HydrophobicContact CD1-CH2 4.17Å; L679-W687 HydrophobicContact CD1-CZ2 3.84Å; L679-L748 HydrophobicContact CD2-CD1 4.29Å; L679-E751 HydrophobicContact CD1-CB 4.04Å; L679-F752 HydrophobicContact CD2-CB 4.13Å; L679-F752 HydrophobicContact CD2-CD2 4.3Å; L679-F755 HydrophobicContact CB-CD2 4.03Å; L679-F755 HydrophobicContact CB-CE2 4.32Å; L679-F755 HydrophobicContact CD1-CD2 3.72Å; L679-F755 HydrophobicContact CD1-CE2 3.78Å; L679-F755 HydrophobicContact CG-CD2 4.46Å; L679-L977 HydrophobicContact CD2-CD2 4.11Å
680	S	78.8	Confident	87.2	Confident	58 Å²	58	53.5 Å²	53.5	41%	0.406	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16.5	176.5	81.9	0	0	0	0	114.1	V676 I677 S678	V676-S680 PolarHBondContact O-N 3.01Å; I677-S680 WeakPolarHBondContact O-CB 3.36Å; I677-S680 PolarHBondContact O-N 3.4Å; I677-S680 VanDerWaalsContact O-N 3.14Å; I677-S680 PolarHBondContact O-OG 3.23Å; S678-S680 PolarHBondContact O-N 3.44Å
681	Q	82.2	Confident	87.5	Confident	141 Å²	141	49.2 Å²	49.2	66%	0.659	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-4.7	-177.9	-59.2	177.3	20	0	0	113.2	S678 L679 T683	S678-Q681 WeakPolarHBondContact O-CB 3.37Å; S678-Q681 PolarHBondContact O-N 2.99Å; L679-Q681 PolarHBondContact O-N 2.64Å; Q681-T683 PolarHBondContact O-N 3.41Å
682	V	85.3	Confident	87.8	Confident	18 Å²	18	50.4 Å²	50.4	11%	0.109	27%	0.273	C	S	.	.	S	Bend	trans	-59.6	129.1	177.9	176.3	0	0	0	0	110.7	L679 L686 W687 F755	L679-V682 HydrophobicContact CD1-CG2 4.42Å; L679-V682 WeakPolarHBondContact O-CG2 3.48Å; L679-V682 PolarHBondContact O-N 2.91Å; V682-L686 HydrophobicContact CG1-CB 4.38Å; V682-L686 HydrophobicContact CG1-CD2 4.14Å; V682-W687 HydrophobicContact CB-CZ2 4.38Å; V682-W687 HydrophobicContact CG1-CD2 4.36Å; V682-W687 HydrophobicContact CG1-CG 4.29Å; V682-W687 HydrophobicContact CG1-CZ2 4.31Å; V682-W687 VanDerWaalsContact CG1-NE1 3.31Å; V682-F755 HydrophobicContact CG2-CE2 3.59Å; V682-F755 HydrophobicContact CG2-CZ 3.59Å
683	T	87.4	Confident	88	Confident	76 Å²	76	56.6 Å²	56.6	47%	0.466	30%	0.3	S	S	.	.			trans	-66.8	145.1	-169.5	66.4	0	0	0	0	112.5	Q681 Q685 L686 W687	Q681-T683 PolarHBondContact O-N 3.41Å; T683-Q685 PolarHBondContact O-N 3.33Å; T683-L686 PolarHBondContact O-N 3.14Å; T683-L686 VanDerWaalsContact O-N 3.12Å; T683-W687 PolarHBondContact O-N 3.02Å
684	P	88.4	Confident	88.3	Confident	69 Å²	69	56.9 Å²	56.9	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-54.5	-37.5	178.2	-30.3	37	0	0	0	114.1	E688 R966	P684-E688 WeakPolarHBondContact O-CB 3.42Å; P684-E688 PolarHBondContact O-N 2.74Å; P684-R966 WeakPolarHBondContact O-CD 3.28Å
685	Q	88.8	Confident	88.8	Confident	157 Å²	157	51.6 Å²	51.6	73%	0.734	27%	0.272	S	S	*	.	H	α-helix	trans	-67	-36.7	-180	-68	173.5	-21.8	0	0	112.5	T683 E688 S689	T683-Q685 PolarHBondContact O-N 3.33Å; Q685-E688 PolarHBondContact O-N 2.89Å; Q685-S689 PolarHBondContact O-N 3.02Å; Q685-S689 PolarHBondContact O-OG 3.37Å
686	L	89.5	Confident	89.2	Confident	79 Å²	79	53.6 Å²	53.6	41%	0.414	28%	0.279	S	S	.	.	H	α-helix	trans	-67.2	-47.6	178.3	-174.2	57.3	0	0	0	110.2	V682 T683 E688 S689 I690	V682-L686 HydrophobicContact CG1-CB 4.38Å; V682-L686 HydrophobicContact CG1-CD2 4.14Å; T683-L686 PolarHBondContact O-N 3.14Å; T683-L686 VanDerWaalsContact O-N 3.12Å; L686-E688 VanDerWaalsContact C-N 3.34Å; L686-E688 PolarHBondContact O-N 3.16Å; L686-S689 PolarHBondContact O-N 3.35Å; L686-S689 PolarHBondContact O-OG 3.05Å; L686-I690 HydrophobicContact CD1-CD1 3.88Å; L686-I690 HydrophobicContact CD1-CG1 4.24Å; L686-I690 HydrophobicContact CG-CD1 3.82Å; L686-I690 VanDerWaalsContact O-CG1 3.32Å; L686-I690 WeakPolarHBondContact O-CG1 3.4Å; L686-I690 PolarHBondContact O-N 2.84Å
687	W	91.4	Very high	89.6	Confident	3 Å²	3	58.5 Å²	58.5	1%	0.011	30%	0.301	C	S	.	.	H	α-helix	trans	-54.5	-47.4	173	-78.1	115.2	0	0	0	112.8	L679 V682 T683 S689 I690 L691 L748 E751 R966 L969	L679-W687 HydrophobicContact CD1-CH2 4.17Å; L679-W687 HydrophobicContact CD1-CZ2 3.84Å; V682-W687 HydrophobicContact CB-CZ2 4.38Å; V682-W687 HydrophobicContact CG1-CD2 4.36Å; V682-W687 HydrophobicContact CG1-CG 4.29Å; V682-W687 HydrophobicContact CG1-CZ2 4.31Å; V682-W687 VanDerWaalsContact CG1-NE1 3.31Å; T683-W687 PolarHBondContact O-N 3.02Å; W687-S689 PolarHBondContact O-N 3.34Å; W687-I690 PolarHBondContact O-N 3.19Å; W687-L691 VanDerWaalsContact O-CB 3.27Å; W687-L691 WeakPolarHBondContact O-CB 3.39Å; W687-L691 WeakPolarHBondContact O-CD1 3.36Å; W687-L691 VanDerWaalsContact O-CG 3.22Å; W687-L691 WeakPolarHBondContact O-CG 3.38Å; W687-L691 PolarHBondContact O-N 3.36Å; W687-L748 HydrophobicContact CH2-CD1 4.2Å; W687-E751 HydrophobicContact CH2-CB 3.74Å; W687-E751 HydrophobicContact CH2-CG 3.68Å; W687-E751 HydrophobicContact CZ2-CB 4.49Å; W687-E751 HydrophobicContact CZ3-CB 4.33Å; W687-E751 HydrophobicContact CZ3-CG 3.79Å; W687-R966 HydrophobicContact CB-CG 3.87Å; W687-L969 HydrophobicContact CD2-CD2 3.69Å; W687-L969 HydrophobicContact CE3-CD1 3.88Å; W687-L969 HydrophobicContact CE3-CD2 3.83Å; W687-L969 HydrophobicContact CG-CD2 4.42Å; W687-L969 HydrophobicContact CH2-CD1 4.19Å; W687-L969 HydrophobicContact CH2-CD2 3.75Å; W687-L969 HydrophobicContact CZ2-CD2 3.6Å; W687-L969 HydrophobicContact CZ3-CD1 3.68Å; W687-L969 HydrophobicContact CZ3-CD2 3.86Å; W687-L969 HydrophobicContact CZ3-CG 4.45Å
688	E	91.9	Very high	90	Very high	48 Å²	48	60 Å²	60	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-46.2	-179.3	-167.8	172.1	161.5	0	0	112.1	P684 Q685 L686 L691 Q692 A962 N963	P684-E688 WeakPolarHBondContact O-CB 3.42Å; P684-E688 PolarHBondContact O-N 2.74Å; Q685-E688 PolarHBondContact O-N 2.89Å; L686-E688 VanDerWaalsContact C-N 3.34Å; L686-E688 PolarHBondContact O-N 3.16Å; E688-L691 PolarHBondContact O-N 3.21Å; E688-Q692 VanDerWaalsContact O-CB 3.25Å; E688-Q692 WeakPolarHBondContact O-CB 3.5Å; E688-Q692 PolarHBondContact O-N 2.99Å; E688-A962 HydrophobicContact CG-CB 4.31Å; E688-N963 PolarHBondContact OE1-ND2 2.99Å; E688-N963 PolarHBondContact OE2-OD1 3.01Å
689	S	92.7	Very high	90.6	Very high	62 Å²	62	58.8 Å²	58.8	43%	0.434	29%	0.294	S	S	.	.	H	α-helix	trans	-66.2	-40	179.6	66.5	0	0	0	0	113.3	Q685 L686 W687 K693	Q685-S689 PolarHBondContact O-N 3.02Å; Q685-S689 PolarHBondContact O-OG 3.37Å; L686-S689 PolarHBondContact O-N 3.35Å; L686-S689 PolarHBondContact O-OG 3.05Å; W687-S689 PolarHBondContact O-N 3.34Å; S689-K693 VanDerWaalsContact O-CB 3.31Å; S689-K693 WeakPolarHBondContact O-CB 3.43Å; S689-K693 PolarHBondContact O-N 3.34Å; S689-K693 VanDerWaalsContact O-N 3.07Å
690	I	92.5	Very high	91	Very high	30 Å²	30	58.9 Å²	58.9	15%	0.154	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-47.8	176.6	-66.2	170.2	0	0	0	110.3	L686 W687 K693 K694 T747	L686-I690 HydrophobicContact CD1-CD1 3.88Å; L686-I690 HydrophobicContact CD1-CG1 4.24Å; L686-I690 HydrophobicContact CG-CD1 3.82Å; L686-I690 VanDerWaalsContact O-CG1 3.32Å; L686-I690 WeakPolarHBondContact O-CG1 3.4Å; L686-I690 PolarHBondContact O-N 2.84Å; W687-I690 PolarHBondContact O-N 3.19Å; I690-K693 PolarHBondContact O-N 3.27Å; I690-K694 HydrophobicContact CG2-CD 4.43Å; I690-K694 PolarHBondContact O-N 3.19Å; I690-T747 HydrophobicContact CG2-CG2 3.7Å
691	L	94.8	Very high	91.6	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-48.1	178.4	-75.1	165.9	0	0	0	111.4	W687 E688 K693 L695 A744 T747 A962 L965 R966	W687-L691 VanDerWaalsContact O-CB 3.27Å; W687-L691 WeakPolarHBondContact O-CB 3.39Å; W687-L691 WeakPolarHBondContact O-CD1 3.36Å; W687-L691 VanDerWaalsContact O-CG 3.22Å; W687-L691 WeakPolarHBondContact O-CG 3.38Å; W687-L691 PolarHBondContact O-N 3.36Å; E688-L691 PolarHBondContact O-N 3.21Å; L691-K693 PolarHBondContact O-N 2.88Å; L691-L695 WeakPolarHBondContact O-CB 3.45Å; L691-L695 PolarHBondContact O-N 2.87Å; L691-A744 HydrophobicContact CD2-CB 4.09Å; L691-T747 HydrophobicContact CD2-CG2 4.16Å; L691-T747 WeakPolarHBondContact CD2-OG1 3.48Å; L691-A962 HydrophobicContact CB-CB 4.12Å; L691-L965 HydrophobicContact CD1-CB 4.03Å; L691-L965 HydrophobicContact CD2-CB 4.41Å; L691-L965 HydrophobicContact CD2-CD1 4.34Å; L691-R966 HydrophobicContact CD1-CB 4.1Å
692	Q	93.5	Very high	92	Very high	65 Å²	65	54.8 Å²	54.8	30%	0.304	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-44.9	179.9	-174.4	-178	0.8	0	0	111.6	E688 W696 A962	E688-Q692 VanDerWaalsContact O-CB 3.25Å; E688-Q692 WeakPolarHBondContact O-CB 3.5Å; E688-Q692 PolarHBondContact O-N 2.99Å; Q692-W696 WeakPolarHBondContact O-CB 3.11Å; Q692-W696 PolarHBondContact O-N 3.48Å; Q692-A962 HydrophobicContact CB-CB 4.07Å
693	K	93.9	Very high	92.4	Very high	131 Å²	131	53.9 Å²	53.9	57%	0.57	27%	0.27	S	S	*	.	H	α-helix	trans	-62.1	-56.3	178.8	178.4	179.2	169.6	-178.1	0	111.8	S689 I690 L691 L695 W696 E697	S689-K693 VanDerWaalsContact O-CB 3.31Å; S689-K693 WeakPolarHBondContact O-CB 3.43Å; S689-K693 PolarHBondContact O-N 3.34Å; S689-K693 VanDerWaalsContact O-N 3.07Å; I690-K693 PolarHBondContact O-N 3.27Å; L691-K693 PolarHBondContact O-N 2.88Å; K693-L695 VanDerWaalsContact C-N 3.33Å; K693-L695 PolarHBondContact O-N 2.86Å; K693-W696 WeakPolarHBondContact O-CB 3.26Å; K693-W696 PolarHBondContact O-N 3.44Å; K693-W696 VanDerWaalsContact O-N 3.14Å; K693-E697 WeakPolarHBondContact CE-OE1 3.41Å; K693-E697 IonicContact NZ-OE1 2.67Å; K693-E697 WeakPolarHBondContact O-CG 3.39Å; K693-E697 PolarHBondContact O-N 3.04Å
694	K	95.3	Very high	92.6	Very high	41 Å²	41	50.5 Å²	50.5	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-36.4	-177.5	-76	-175.3	177.8	-178.5	0	112.5	I690 W696 E697 R698 V743 T747 E750	I690-K694 HydrophobicContact CG2-CD 4.43Å; I690-K694 PolarHBondContact O-N 3.19Å; K694-W696 VanDerWaalsContact C-N 3.3Å; K694-W696 PolarHBondContact O-N 2.92Å; K694-E697 PolarHBondContact O-N 2.95Å; K694-R698 WeakPolarHBondContact O-CB 3.49Å; K694-R698 PolarHBondContact O-N 3.3Å; K694-V743 HydrophobicContact CB-CG1 3.71Å; K694-T747 HydrophobicContact CD-CG2 3.66Å; K694-E750 IonicContact NZ-OE1 3.22Å; K694-E750 PolarHBondContact NZ-OE1 3.17Å; K694-E750 IonicContact NZ-OE2 2.7Å; K694-E750 PolarHBondContact NZ-OE2 2.91Å
695	L	95.4	Very high	92.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-44	173.9	-177.5	62	0	0	0	110.4	L691 K693 R698 V699 A740 V743 L958 T961	L691-L695 WeakPolarHBondContact O-CB 3.45Å; L691-L695 PolarHBondContact O-N 2.87Å; K693-L695 VanDerWaalsContact C-N 3.33Å; K693-L695 PolarHBondContact O-N 2.86Å; L695-R698 PolarHBondContact O-N 2.95Å; L695-V699 HydrophobicContact CD1-CG1 4.12Å; L695-V699 WeakPolarHBondContact O-CG1 3.43Å; L695-V699 VanDerWaalsContact O-CG2 3.3Å; L695-V699 WeakPolarHBondContact O-CG2 3.36Å; L695-V699 PolarHBondContact O-N 2.92Å; L695-A740 HydrophobicContact CD1-CB 4.02Å; L695-V743 HydrophobicContact CB-CG1 4.46Å; L695-L958 HydrophobicContact CB-CD2 4.38Å; L695-L958 HydrophobicContact CD2-CD2 3.67Å; L695-L958 HydrophobicContact CG-CD2 3.67Å; L695-T961 HydrophobicContact CD2-CG2 3.55Å
696	W	94.6	Very high	92.6	Very high	46 Å²	46	45.7 Å²	45.7	17%	0.174	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-44.3	176.6	-176.4	-127.7	0	0	0	113.1	Q692 K693 K694 R698 V699 S700 V703 F818 T822 I954 L958	Q692-W696 WeakPolarHBondContact O-CB 3.11Å; Q692-W696 PolarHBondContact O-N 3.48Å; K693-W696 WeakPolarHBondContact O-CB 3.26Å; K693-W696 PolarHBondContact O-N 3.44Å; K693-W696 VanDerWaalsContact O-N 3.14Å; K694-W696 VanDerWaalsContact C-N 3.3Å; K694-W696 PolarHBondContact O-N 2.92Å; W696-R698 VanDerWaalsContact C-N 3.29Å; W696-R698 PolarHBondContact O-N 3.42Å; W696-V699 HydrophobicContact CE3-CG2 3.78Å; W696-V699 HydrophobicContact CZ3-CG2 4.15Å; W696-V699 PolarHBondContact O-N 3.21Å; W696-S700 WeakPolarHBondContact O-CB 3.08Å; W696-S700 PolarHBondContact O-N 3.18Å; W696-S700 PolarHBondContact O-OG 2.79Å; W696-V703 HydrophobicContact CH2-CB 4.43Å; W696-V703 HydrophobicContact CH2-CG1 4.15Å; W696-V703 HydrophobicContact CZ3-CB 4.35Å; W696-V703 HydrophobicContact CZ3-CG1 4.36Å; W696-V703 HydrophobicContact CZ3-CG2 4.18Å; W696-F818 HydrophobicContact CD2-CE2 4.07Å; W696-F818 AromaticContact CD2-CZ 3.94Å; W696-F818 HydrophobicContact CD2-CZ 3.94Å; W696-F818 AromaticContact CE2-CE2 3.71Å; W696-F818 AromaticContact CE2-CZ 3.73Å; W696-F818 AromaticContact CE3-CZ 3.99Å; W696-F818 HydrophobicContact CE3-CZ 3.99Å; W696-F818 HydrophobicContact CG-CE2 4.5Å; W696-F818 HydrophobicContact CH2-CE1 4.34Å; W696-F818 HydrophobicContact CH2-CE2 4.46Å; W696-F818 AromaticContact CH2-CZ 3.69Å; W696-F818 HydrophobicContact CH2-CZ 3.69Å; W696-F818 AromaticContact CZ2-CE2 3.95Å; W696-F818 HydrophobicContact CZ2-CE2 3.95Å; W696-F818 AromaticContact CZ2-CZ 3.63Å; W696-F818 HydrophobicContact CZ2-CZ 3.63Å; W696-F818 AromaticContact CZ3-CZ 3.87Å; W696-F818 HydrophobicContact CZ3-CZ 3.87Å; W696-F818 AromaticContact NE1-CE2 3.9Å; W696-T822 HydrophobicContact CH2-CG2 4.28Å; W696-T822 HydrophobicContact CZ2-CG2 3.66Å; W696-T822 WeakPolarHBondContact CZ2-OG1 3.26Å; W696-I954 HydrophobicContact CH2-CG2 4.47Å; W696-I954 HydrophobicContact CZ3-CG2 3.82Å; W696-L958 HydrophobicContact CB-CD1 4.4Å; W696-L958 HydrophobicContact CD2-CD1 4.08Å; W696-L958 HydrophobicContact CE3-CD1 3.52Å; W696-L958 HydrophobicContact CE3-CD2 4.42Å; W696-L958 HydrophobicContact CG-CD1 4.47Å; W696-L958 HydrophobicContact CZ3-CD1 4.16Å
697	E	93.1	Very high	92.7	Very high	107 Å²	107	42 Å²	42	50%	0.5	20%	0.203	S	C	.	.	H	α-helix	trans	-57	-42.5	173.8	-70.6	168.3	166.1	0	0	111.3	K693 K694	K693-E697 WeakPolarHBondContact CE-OE1 3.41Å; K693-E697 IonicContact NZ-OE1 2.67Å; K693-E697 WeakPolarHBondContact O-CG 3.39Å; K693-E697 PolarHBondContact O-N 3.04Å; K694-E697 PolarHBondContact O-N 2.95Å
698	R	94.1	Very high	92.7	Very high	100 Å²	100	42 Å²	42	38%	0.377	20%	0.203	S	C	.	.	H	α-helix	trans	-71.1	-29.2	179.5	-163	78	172.2	79.4	-2.5	114.4	K694 L695 W696 E742 V743	K694-R698 WeakPolarHBondContact O-CB 3.49Å; K694-R698 PolarHBondContact O-N 3.3Å; L695-R698 PolarHBondContact O-N 2.95Å; W696-R698 VanDerWaalsContact C-N 3.29Å; W696-R698 PolarHBondContact O-N 3.42Å; R698-E742 IonicContact CZ-OE1 3.19Å; R698-E742 IonicContact NE-OE1 2.72Å; R698-E742 VanDerWaalsContact NH2-CD 3.29Å; R698-E742 IonicContact NH2-OE1 3.07Å; R698-E742 PolarHBondContact NH2-OE1 3.11Å; R698-E742 IonicContact NH2-OE2 2.74Å; R698-E742 PolarHBondContact NH2-OE2 3.47Å; R698-V743 HydrophobicContact CB-CG2 3.71Å; R698-V743 HydrophobicContact CG-CG2 3.67Å
699	V	93.8	Very high	92.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-108.1	-26	-174	-55	0	0	0	0	116.1	L695 W696 T701 H702 V703 W731 L736 L958	L695-V699 HydrophobicContact CD1-CG1 4.12Å; L695-V699 WeakPolarHBondContact O-CG1 3.43Å; L695-V699 VanDerWaalsContact O-CG2 3.3Å; L695-V699 WeakPolarHBondContact O-CG2 3.36Å; L695-V699 PolarHBondContact O-N 2.92Å; W696-V699 HydrophobicContact CE3-CG2 3.78Å; W696-V699 HydrophobicContact CZ3-CG2 4.15Å; W696-V699 PolarHBondContact O-N 3.21Å; V699-T701 VanDerWaalsContact C-N 3.28Å; V699-T701 PolarHBondContact O-N 3.4Å; V699-T701 VanDerWaalsContact O-N 3.17Å; V699-H702 WeakPolarHBondContact O-CA 3.19Å; V699-H702 WeakPolarHBondContact O-CB 3.47Å; V699-H702 PolarHBondContact O-N 2.93Å; V699-V703 HydrophobicContact CG2-CG2 4.45Å; V699-V703 PolarHBondContact O-N 3.48Å; V699-V703 VanDerWaalsContact O-N 3.1Å; V699-W731 HydrophobicContact CB-CH2 4.28Å; V699-W731 HydrophobicContact CB-CZ2 3.77Å; V699-W731 HydrophobicContact CG1-CZ2 3.91Å; V699-W731 HydrophobicContact CG2-CH2 4.33Å; V699-W731 HydrophobicContact CG2-CZ2 4.31Å; V699-L736 HydrophobicContact CG1-CD1 4.25Å; V699-L958 HydrophobicContact CG2-CD2 4.15Å
700	S	92.9	Very high	92.3	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.035	19%	0.187	C	C	.	.	H	α-helix	trans	-55.7	-37.2	-170.4	52.1	0	0	0	0	114.1	W696 H702 V703 I704 R826	W696-S700 WeakPolarHBondContact O-CB 3.08Å; W696-S700 PolarHBondContact O-N 3.18Å; W696-S700 PolarHBondContact O-OG 2.79Å; S700-H702 VanDerWaalsContact C-N 3.32Å; S700-H702 PolarHBondContact O-N 3.03Å; S700-V703 PolarHBondContact O-N 3.02Å; S700-I704 WeakPolarHBondContact O-CG1 3.27Å; S700-I704 PolarHBondContact O-N 2.74Å; S700-R826 PolarHBondContact OG-NH2 2.65Å
701	T	91.5	Very high	92.1	Very high	78 Å²	78	37.8 Å²	37.8	48%	0.479	18%	0.18	S	C	.	.	H	α-helix	trans	-61.9	-38	174.6	-46.4	0	0	0	0	112.3	V699 E705 R826	V699-T701 VanDerWaalsContact C-N 3.28Å; V699-T701 PolarHBondContact O-N 3.4Å; V699-T701 VanDerWaalsContact O-N 3.17Å; T701-E705 HydrophobicContact CG2-CG 4.31Å; T701-E705 VanDerWaalsContact O-CB 3.27Å; T701-E705 WeakPolarHBondContact O-CB 3.49Å; T701-E705 VanDerWaalsContact O-CG 3.29Å; T701-E705 WeakPolarHBondContact O-CG 3.47Å; T701-E705 PolarHBondContact O-N 3.19Å; T701-E705 VanDerWaalsContact O-N 3.1Å; T701-R826 PolarHBondContact OG1-NH2 3.41Å
702	H	92.2	Very high	91.7	Very high	34 Å²	34	39.5 Å²	39.5	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-71	-42.4	176.6	-173	71.2	0	0	0	111.3	V699 S700 I704 N706 W731	V699-H702 WeakPolarHBondContact O-CA 3.19Å; V699-H702 WeakPolarHBondContact O-CB 3.47Å; V699-H702 PolarHBondContact O-N 2.93Å; S700-H702 VanDerWaalsContact C-N 3.32Å; S700-H702 PolarHBondContact O-N 3.03Å; H702-I704 PolarHBondContact O-N 2.86Å; H702-N706 VanDerWaalsContact CE1-CB 3.46Å; H702-N706 WeakPolarHBondContact CE1-CB 3.28Å; H702-N706 PolarHBondContact ND1-ND2 2.97Å; H702-N706 WeakPolarHBondContact O-CA 3.26Å; H702-N706 VanDerWaalsContact O-CB 3.29Å; H702-N706 WeakPolarHBondContact O-CB 3.46Å; H702-N706 PolarHBondContact O-N 3.09Å; H702-W731 AromaticContact CD2-CD1 3.26Å; H702-W731 AromaticContact CD2-CE2 3.81Å; H702-W731 AromaticContact CD2-CG 3.72Å; H702-W731 AromaticContact CD2-NE1 3.36Å; H702-W731 PolarHBondContact CD2-NE1 2.68Å; H702-W731 AromaticContact NE2-CD1 3.32Å; H702-W731 VanDerWaalsContact NE2-CD1 3.32Å; H702-W731 AromaticContact NE2-CG 3.71Å; H702-W731 AromaticContact NE2-NE1 3.92Å
703	V	92.8	Very high	91.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-55	-52	176	165.7	0	0	0	0	111.6	W696 V699 S700 I707 Y708 W731 I954	W696-V703 HydrophobicContact CH2-CB 4.43Å; W696-V703 HydrophobicContact CH2-CG1 4.15Å; W696-V703 HydrophobicContact CZ3-CB 4.35Å; W696-V703 HydrophobicContact CZ3-CG1 4.36Å; W696-V703 HydrophobicContact CZ3-CG2 4.18Å; V699-V703 HydrophobicContact CG2-CG2 4.45Å; V699-V703 PolarHBondContact O-N 3.48Å; V699-V703 VanDerWaalsContact O-N 3.1Å; S700-V703 PolarHBondContact O-N 3.02Å; V703-I707 HydrophobicContact CG2-CD1 4.45Å; V703-I707 WeakPolarHBondContact O-CB 3.47Å; V703-I707 PolarHBondContact O-N 2.83Å; V703-Y708 PolarHBondContact O-N 3.42Å; V703-W731 HydrophobicContact CG2-CH2 3.8Å; V703-W731 HydrophobicContact CG2-CZ2 4.33Å; V703-W731 HydrophobicContact CG2-CZ3 4.2Å; V703-I954 HydrophobicContact CG1-CD1 3.55Å; V703-I954 HydrophobicContact CG2-CD1 4.46Å; V703-I954 HydrophobicContact CG2-CG2 4.46Å
704	I	90.8	Very high	90.6	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	18%	0.18	C	C	.	.	I	π-helix	trans	-70.2	-49.7	-177.9	-62.2	-59.7	0	0	0	111.5	S700 H702 Y708 L709 T822 R826 F951	S700-I704 WeakPolarHBondContact O-CG1 3.27Å; S700-I704 PolarHBondContact O-N 2.74Å; H702-I704 PolarHBondContact O-N 2.86Å; I704-Y708 HydrophobicContact CD1-CD1 4.21Å; I704-L709 WeakPolarHBondContact O-CB 3.11Å; I704-L709 PolarHBondContact O-N 3.43Å; I704-T822 HydrophobicContact CD1-CG2 3.84Å; I704-T822 HydrophobicContact CG1-CG2 4.16Å; I704-R826 HydrophobicContact CG1-CG 4.39Å; I704-F951 HydrophobicContact CD1-CE1 4.15Å; I704-F951 HydrophobicContact CD1-CZ 3.74Å
705	E	87.9	Confident	89.3	Confident	51 Å²	51	42.5 Å²	42.5	24%	0.238	22%	0.216	C	C	.	.	I	π-helix	trans	-80	-28.8	-170.4	-62.4	-66.8	154.6	0	0	114.6	T701 R913	T701-E705 HydrophobicContact CG2-CG 4.31Å; T701-E705 VanDerWaalsContact O-CB 3.27Å; T701-E705 WeakPolarHBondContact O-CB 3.49Å; T701-E705 VanDerWaalsContact O-CG 3.29Å; T701-E705 WeakPolarHBondContact O-CG 3.47Å; T701-E705 PolarHBondContact O-N 3.19Å; T701-E705 VanDerWaalsContact O-N 3.1Å; E705-R913 IonicContact OE1-CZ 2.69Å; E705-R913 IonicContact OE1-NE 2.84Å; E705-R913 PolarHBondContact OE1-NE 2.94Å; E705-R913 IonicContact OE1-NH2 3.2Å; E705-R913 IonicContact OE2-CZ 2.72Å; E705-R913 VanDerWaalsContact OE2-CZ 3.26Å; E705-R913 IonicContact OE2-NE 3.27Å; E705-R913 PolarHBondContact OE2-NE 3.4Å; E705-R913 IonicContact OE2-NH2 3.65Å; E705-R913 PolarHBondContact OE2-NH2 2.95Å
706	N	90.6	Very high	88.5	Confident	73 Å²	73	47.5 Å²	47.5	39%	0.39	24%	0.243	S	C	.	.	I	π-helix	trans	-114.7	-18.7	-169.7	-61.4	-105.1	0	0	0	114.1	H702 K727	H702-N706 VanDerWaalsContact CE1-CB 3.46Å; H702-N706 WeakPolarHBondContact CE1-CB 3.28Å; H702-N706 PolarHBondContact ND1-ND2 2.97Å; H702-N706 WeakPolarHBondContact O-CA 3.26Å; H702-N706 VanDerWaalsContact O-CB 3.29Å; H702-N706 WeakPolarHBondContact O-CB 3.46Å; H702-N706 PolarHBondContact O-N 3.09Å; N706-K727 WeakPolarHBondContact O-CD 3.49Å
707	I	91.7	Very high	87.7	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.246	C	C	.	.	I	π-helix	trans	-112.1	-59.2	178.7	-64.4	150.9	0	0	0	110	V703 A711 K727 L728 W731 L950	V703-I707 HydrophobicContact CG2-CD1 4.45Å; V703-I707 WeakPolarHBondContact O-CB 3.47Å; V703-I707 PolarHBondContact O-N 2.83Å; I707-A711 VanDerWaalsContact O-CB 3.27Å; I707-A711 WeakPolarHBondContact O-CB 3.18Å; I707-A711 PolarHBondContact O-N 3.08Å; I707-K727 HydrophobicContact CB-CB 4.44Å; I707-K727 HydrophobicContact CG1-CB 3.88Å; I707-K727 HydrophobicContact CG2-CB 4.43Å; I707-L728 HydrophobicContact CD1-CD2 4.01Å; I707-L728 HydrophobicContact CG2-CD2 4.17Å; I707-L728 HydrophobicContact CG2-CG 4.3Å; I707-W731 HydrophobicContact CD1-CB 4.48Å; I707-W731 HydrophobicContact CD1-CD2 3.99Å; I707-W731 HydrophobicContact CD1-CE3 3.73Å; I707-W731 HydrophobicContact CD1-CG 4.34Å; I707-W731 HydrophobicContact CD1-CZ3 4.26Å; I707-L950 HydrophobicContact CG2-CD1 4.16Å; I707-L950 HydrophobicContact CG2-CD2 4.38Å
708	Y	91.9	Very high	87	Confident	3 Å²	3	44 Å²	44	1%	0.012	24%	0.244	C	C	.	.	I	π-helix	trans	-73	-56.6	-174.3	-176.1	-129.6	0	0	0	113.3	V703 I704 A711 A712 F720 L823 F916 A920 D947 L950 F951	V703-Y708 PolarHBondContact O-N 3.42Å; I704-Y708 HydrophobicContact CD1-CD1 4.21Å; Y708-A711 PolarHBondContact O-N 3.18Å; Y708-A712 HydrophobicContact CD2-CB 4.32Å; Y708-A712 HydrophobicContact CE2-CB 4Å; Y708-A712 WeakPolarHBondContact O-CB 3.42Å; Y708-A712 PolarHBondContact O-N 2.82Å; Y708-F720 HydrophobicContact CE2-CE2 4.44Å; Y708-L823 HydrophobicContact CE1-CD2 4.04Å; Y708-F916 AromaticContact CD1-CE1 3.92Å; Y708-F916 HydrophobicContact CD1-CE1 3.92Å; Y708-F916 AromaticContact CD1-CZ 3.91Å; Y708-F916 HydrophobicContact CD1-CZ 3.91Å; Y708-F916 AromaticContact CE1-CE1 3.74Å; Y708-F916 HydrophobicContact CE1-CE1 3.74Å; Y708-F916 AromaticContact CE1-CZ 3.6Å; Y708-F916 HydrophobicContact CE1-CZ 3.6Å; Y708-A920 HydrophobicContact CE1-CB 4.15Å; Y708-A920 WeakPolarHBondContact OH-CB 3.49Å; Y708-D947 HydrophobicContact CE2-CB 4.2Å; Y708-D947 WeakPolarHBondContact CE2-OD1 3.16Å; Y708-D947 PolarHBondContact OH-OD2 3.07Å; Y708-L950 HydrophobicContact CD2-CD2 3.86Å; Y708-F951 HydrophobicContact CD1-CE2 4.25Å; Y708-F951 HydrophobicContact CD1-CZ 4.29Å; Y708-F951 HydrophobicContact CD2-CE2 4.26Å; Y708-F951 HydrophobicContact CE1-CE2 4.25Å; Y708-F951 HydrophobicContact CE2-CE2 4.27Å; Y708-F951 HydrophobicContact CG-CE2 4.25Å
709	L	88.4	Confident	86.6	Confident	10 Å²	10	41.9 Å²	41.9	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-55.9	-40.4	-176.9	178	66	0	0	0	113.4	I704 Q713 Y912 F916	I704-L709 WeakPolarHBondContact O-CB 3.11Å; I704-L709 PolarHBondContact O-N 3.43Å; L709-Q713 WeakPolarHBondContact O-CG 3.44Å; L709-Q713 PolarHBondContact O-NE2 2.81Å; L709-Y912 HydrophobicContact CD1-CE1 4.17Å; L709-F916 HydrophobicContact CB-CE1 4.44Å; L709-F916 HydrophobicContact CD1-CB 4.44Å; L709-F916 HydrophobicContact CD1-CD1 3.59Å; L709-F916 HydrophobicContact CD1-CD2 3.92Å; L709-F916 HydrophobicContact CD1-CE1 3.74Å; L709-F916 HydrophobicContact CD1-CE2 4.06Å; L709-F916 HydrophobicContact CD1-CG 3.69Å; L709-F916 HydrophobicContact CD1-CZ 3.98Å
710	P	87.6	Confident	86.3	Confident	43 Å²	43	42.5 Å²	42.5	28%	0.279	25%	0.245	S	C	.	.	H	α-helix	trans	-76.2	-27.1	175.7	-18.8	34.7	0	0	0	114.2
711	A	87.7	Confident	86.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-76.2	-44.4	177.1	0	0	0	0	0	111.5	I707 Y708 Q713 T714 F720 T723 V724	I707-A711 VanDerWaalsContact O-CB 3.27Å; I707-A711 WeakPolarHBondContact O-CB 3.18Å; I707-A711 PolarHBondContact O-N 3.08Å; Y708-A711 PolarHBondContact O-N 3.18Å; A711-Q713 PolarHBondContact O-N 3.47Å; A711-T714 WeakPolarHBondContact O-CG2 3.22Å; A711-T714 PolarHBondContact O-N 2.84Å; A711-T714 PolarHBondContact O-OG1 3.41Å; A711-F720 HydrophobicContact CB-CD2 3.84Å; A711-F720 HydrophobicContact CB-CE2 3.87Å; A711-F720 HydrophobicContact CB-CG 4.47Å; A711-F720 WeakPolarHBondContact O-CD2 3.37Å; A711-T723 HydrophobicContact CB-CG2 4.12Å; A711-V724 HydrophobicContact CB-CG2 3.6Å
712	A	85.6	Confident	86	Confident	36 Å²	36	43.4 Å²	43.4	30%	0.298	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	7.5	179	0	0	0	0	0	114.6	Y708 F720 F916	Y708-A712 HydrophobicContact CD2-CB 4.32Å; Y708-A712 HydrophobicContact CE2-CB 4Å; Y708-A712 WeakPolarHBondContact O-CB 3.42Å; Y708-A712 PolarHBondContact O-N 2.82Å; A712-F720 HydrophobicContact CB-CE2 4.26Å; A712-F916 HydrophobicContact CB-CE2 3.55Å; A712-F916 HydrophobicContact CB-CZ 3.66Å
713	Q	82.6	Confident	85.9	Confident	69 Å²	69	43.7 Å²	43.7	32%	0.322	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-4	168.7	-76.3	171.3	63.8	0	0	113	L709 A711	L709-Q713 WeakPolarHBondContact O-CG 3.44Å; L709-Q713 PolarHBondContact O-NE2 2.81Å; A711-Q713 PolarHBondContact O-N 3.47Å
714	T	81.8	Confident	85.8	Confident	43 Å²	43	43.7 Å²	43.7	26%	0.264	25%	0.254	S	S	.	.			trans	-84.3	142.3	177	66.8	0	0	0	0	111.5	A711 T719 F720	A711-T714 WeakPolarHBondContact O-CG2 3.22Å; A711-T714 PolarHBondContact O-N 2.84Å; A711-T714 PolarHBondContact O-OG1 3.41Å; T714-T719 VanDerWaalsContact CB-OG1 3.26Å; T714-T719 WeakPolarHBondContact CB-OG1 3.22Å; T714-T719 PolarHBondContact OG1-OG1 2.81Å; T714-F720 VanDerWaalsContact OG1-CA 3.26Å; T714-F720 WeakPolarHBondContact OG1-CA 3.39Å; T714-F720 PolarHBondContact OG1-N 3.13Å; T714-F720 VanDerWaalsContact OG1-N 3.13Å
715	M	68.2	Low	85.9	Confident	188 Å²	188	45.4 Å²	45.4	93%	0.926	26%	0.263	S	S	*	.	S	Bend	trans	-76.4	-24.9	-173.3	-70.9	178.5	159.2	0	0	115.1
716	D	78.3	Confident	86	Confident	106 Å²	106	47.1 Å²	47.1	57%	0.567	27%	0.273	S	S	*	.	S	Bend	trans	-117.2	138.7	-177.1	-44.4	-58	0	0	0	111.9	G718 T719 F720	D716-G718 PolarHBondContact O-N 3.48Å; D716-G718 VanDerWaalsContact O-N 3.15Å; D716-T719 HydrophobicContact CB-CG2 4.22Å; D716-T719 PolarHBondContact N-OG1 3.41Å; D716-T719 WeakPolarHBondContact O-CA 3.48Å; D716-T719 PolarHBondContact O-N 2.81Å; D716-T719 PolarHBondContact O-OG1 2.86Å; D716-F720 PolarHBondContact O-N 2.82Å
717	S	77.6	Confident	86.1	Confident	34 Å²	34	47.1 Å²	47.1	24%	0.238	27%	0.27	C	S	.	.	H	α-helix	trans	-55.7	-31.3	174.9	48.9	0	0	0	0	114.9	N721 E944 N946	S717-N721 PolarHBondContact O-N 3.23Å; S717-N721 PolarHBondContact O-ND2 3.03Å; S717-E944 VanDerWaalsContact CB-CD 3.46Å; S717-E944 WeakPolarHBondContact CB-OE1 3.44Å; S717-E944 VanDerWaalsContact CB-OE2 3.27Å; S717-E944 WeakPolarHBondContact CB-OE2 3.37Å; S717-E944 PolarHBondContact OG-OE1 3.4Å; S717-E944 PolarHBondContact OG-OE2 3.07Å; S717-N946 VanDerWaalsContact CB-ND2 3.3Å; S717-N946 WeakPolarHBondContact CB-ND2 3.35Å
718	G	79.9	Confident	86.2	Confident	45 Å²	45	47.3 Å²	47.3	46%	0.464	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-46.6	171.3	0	0	0	0	0	111.9	D716 N721 T722	D716-G718 PolarHBondContact O-N 3.48Å; D716-G718 VanDerWaalsContact O-N 3.15Å; G718-N721 PolarHBondContact O-N 2.79Å; G718-T722 PolarHBondContact O-N 3.36Å; G718-T722 VanDerWaalsContact O-N 3.09Å; G718-T722 PolarHBondContact O-OG1 2.88Å
719	T	85.3	Confident	86.2	Confident	56 Å²	56	51.9 Å²	51.9	34%	0.344	29%	0.29	S	S	.	.	H	α-helix	trans	-70.7	-33.6	178.7	62.4	0	0	0	0	112.8	T714 D716 T723	T714-T719 VanDerWaalsContact CB-OG1 3.26Å; T714-T719 WeakPolarHBondContact CB-OG1 3.22Å; T714-T719 PolarHBondContact OG1-OG1 2.81Å; D716-T719 HydrophobicContact CB-CG2 4.22Å; D716-T719 PolarHBondContact N-OG1 3.41Å; D716-T719 WeakPolarHBondContact O-CA 3.48Å; D716-T719 PolarHBondContact O-N 2.81Å; D716-T719 PolarHBondContact O-OG1 2.86Å; T719-T723 VanDerWaalsContact O-CB 3.3Å; T719-T723 WeakPolarHBondContact O-CB 3.41Å; T719-T723 PolarHBondContact O-N 3.47Å; T719-T723 PolarHBondContact O-OG1 3.46Å
720	F	87.9	Confident	86.4	Confident	12 Å²	12	56.3 Å²	56.3	5%	0.053	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-55.6	170.4	175.3	-87	0	0	0	110.5	Y708 A711 A712 T714 D716 T722 T723 V724 N946 D947 L950	Y708-F720 HydrophobicContact CE2-CE2 4.44Å; A711-F720 HydrophobicContact CB-CD2 3.84Å; A711-F720 HydrophobicContact CB-CE2 3.87Å; A711-F720 HydrophobicContact CB-CG 4.47Å; A711-F720 WeakPolarHBondContact O-CD2 3.37Å; A712-F720 HydrophobicContact CB-CE2 4.26Å; T714-F720 VanDerWaalsContact OG1-CA 3.26Å; T714-F720 WeakPolarHBondContact OG1-CA 3.39Å; T714-F720 PolarHBondContact OG1-N 3.13Å; T714-F720 VanDerWaalsContact OG1-N 3.13Å; D716-F720 PolarHBondContact O-N 2.82Å; F720-T722 PolarHBondContact O-N 2.96Å; F720-T723 PolarHBondContact O-N 3.49Å; F720-T723 VanDerWaalsContact O-N 3.16Å; F720-V724 HydrophobicContact CD1-CG2 4.11Å; F720-V724 HydrophobicContact CE1-CG2 3.79Å; F720-V724 HydrophobicContact CZ-CG2 4.01Å; F720-V724 WeakPolarHBondContact O-CG2 3.29Å; F720-V724 PolarHBondContact O-N 2.87Å; F720-N946 HydrophobicContact CD1-CB 3.8Å; F720-N946 HydrophobicContact CE1-CB 3.7Å; F720-D947 WeakPolarHBondContact CE2-OD1 3.14Å; F720-D947 VanDerWaalsContact CZ-OD1 3.31Å; F720-D947 WeakPolarHBondContact CZ-OD1 3.31Å; F720-L950 HydrophobicContact CZ-CD2 4.25Å
721	N	87.4	Confident	86.7	Confident	22 Å²	22	54.5 Å²	54.5	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-44.6	-177.2	-82.9	-80.9	0	0	0	112	S717 G718 T723 V724 D725 N946	S717-N721 PolarHBondContact O-N 3.23Å; S717-N721 PolarHBondContact O-ND2 3.03Å; G718-N721 PolarHBondContact O-N 2.79Å; N721-T723 VanDerWaalsContact C-N 3.34Å; N721-T723 PolarHBondContact O-N 2.68Å; N721-V724 PolarHBondContact O-N 3.49Å; N721-D725 VanDerWaalsContact O-CG 3.23Å; N721-D725 PolarHBondContact O-N 3.48Å; N721-N946 PolarHBondContact ND2-OD1 2.96Å
722	T	89.9	Confident	87	Confident	81 Å²	81	54.5 Å²	54.5	50%	0.497	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-39.5	175.8	-60.8	0	0	0	0	112.3	G718 F720 D725 I726	G718-T722 PolarHBondContact O-N 3.36Å; G718-T722 VanDerWaalsContact O-N 3.09Å; G718-T722 PolarHBondContact O-OG1 2.88Å; F720-T722 PolarHBondContact O-N 2.96Å; T722-D725 PolarHBondContact O-N 3.2Å; T722-I726 HydrophobicContact CG2-CD1 3.86Å; T722-I726 VanDerWaalsContact O-CG1 3.28Å; T722-I726 WeakPolarHBondContact O-CG1 3.47Å; T722-I726 PolarHBondContact O-N 3.46Å; T722-I726 VanDerWaalsContact O-N 3.12Å
723	T	90.6	Very high	87.2	Confident	39 Å²	39	56.3 Å²	56.3	24%	0.239	30%	0.303	C	S	.	.	H	α-helix	trans	-64.7	-45.9	176.3	-59.5	0	0	0	0	111.1	A711 T719 F720 N721 D725 I726 K727	A711-T723 HydrophobicContact CB-CG2 4.12Å; T719-T723 VanDerWaalsContact O-CB 3.3Å; T719-T723 WeakPolarHBondContact O-CB 3.41Å; T719-T723 PolarHBondContact O-N 3.47Å; T719-T723 PolarHBondContact O-OG1 3.46Å; F720-T723 PolarHBondContact O-N 3.49Å; F720-T723 VanDerWaalsContact O-N 3.16Å; N721-T723 VanDerWaalsContact C-N 3.34Å; N721-T723 PolarHBondContact O-N 2.68Å; T723-D725 PolarHBondContact O-N 2.72Å; T723-I726 PolarHBondContact O-N 3.05Å; T723-K727 HydrophobicContact CG2-CG 4.46Å; T723-K727 WeakPolarHBondContact O-CB 3.28Å; T723-K727 WeakPolarHBondContact O-CG 3.45Å; T723-K727 PolarHBondContact O-N 3.22Å
724	V	91.3	Very high	87.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-55.5	-51	174.7	163.4	0	0	0	0	111.3	A711 F720 N721 I726 K727 L728 L950	A711-V724 HydrophobicContact CB-CG2 3.6Å; F720-V724 HydrophobicContact CD1-CG2 4.11Å; F720-V724 HydrophobicContact CE1-CG2 3.79Å; F720-V724 HydrophobicContact CZ-CG2 4.01Å; F720-V724 WeakPolarHBondContact O-CG2 3.29Å; F720-V724 PolarHBondContact O-N 2.87Å; N721-V724 PolarHBondContact O-N 3.49Å; V724-I726 PolarHBondContact O-N 2.89Å; V724-K727 PolarHBondContact O-N 3.42Å; V724-L728 HydrophobicContact CG1-CD1 3.58Å; V724-L728 HydrophobicContact CG1-CG 4.14Å; V724-L728 WeakPolarHBondContact O-CB 3.4Å; V724-L728 WeakPolarHBondContact O-CG 3.05Å; V724-L728 PolarHBondContact O-N 2.84Å; V724-L950 HydrophobicContact CG1-CD1 3.74Å; V724-L950 HydrophobicContact CG2-CD2 3.98Å
725	D	91.2	Very high	88	Confident	41 Å²	41	62.9 Å²	62.9	22%	0.219	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-42.5	-175.6	-67.7	-20.9	0	0	0	112.4	N721 T722 T723 K727 L728 K729 R804 R953	N721-D725 VanDerWaalsContact O-CG 3.23Å; N721-D725 PolarHBondContact O-N 3.48Å; T722-D725 PolarHBondContact O-N 3.2Å; T723-D725 PolarHBondContact O-N 2.72Å; D725-K727 VanDerWaalsContact C-N 3.33Å; D725-K727 PolarHBondContact O-N 2.85Å; D725-L728 PolarHBondContact O-N 3.34Å; D725-K729 VanDerWaalsContact O-CB 3.29Å; D725-K729 WeakPolarHBondContact O-CB 3.12Å; D725-K729 PolarHBondContact O-N 2.99Å; D725-R804 IonicContact OD2-CZ 2.76Å; D725-R804 IonicContact OD2-NE 3.87Å; D725-R804 IonicContact OD2-NH2 3.56Å; D725-R804 PolarHBondContact OD2-NH2 2.79Å; D725-R953 IonicContact OD1-CZ 3.68Å; D725-R953 VanDerWaalsContact OD1-CZ 3.22Å; D725-R953 IonicContact OD1-NH1 2.64Å; D725-R953 PolarHBondContact OD1-NH1 3.4Å; D725-R953 IonicContact OD1-NH2 2.69Å; D725-R953 PolarHBondContact OD1-NH2 3.15Å
726	I	91.4	Very high	89.1	Confident	87 Å²	87	53.9 Å²	53.9	45%	0.446	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-43.2	175.9	-68.8	168.7	0	0	0	110.4	T722 T723 V724 Q730	T722-I726 HydrophobicContact CG2-CD1 3.86Å; T722-I726 VanDerWaalsContact O-CG1 3.28Å; T722-I726 WeakPolarHBondContact O-CG1 3.47Å; T722-I726 PolarHBondContact O-N 3.46Å; T722-I726 VanDerWaalsContact O-N 3.12Å; T723-I726 PolarHBondContact O-N 3.05Å; V724-I726 PolarHBondContact O-N 2.89Å; I726-Q730 WeakPolarHBondContact O-CB 3.43Å; I726-Q730 VanDerWaalsContact O-CG 3.22Å; I726-Q730 WeakPolarHBondContact O-CG 3.23Å; I726-Q730 PolarHBondContact O-N 3.4Å
727	K	92.8	Very high	89.9	Confident	74 Å²	74	49 Å²	49	32%	0.322	26%	0.258	S	S	.	.	H	α-helix	trans	-69.2	-45.1	179.3	-67.8	-71	-171.2	170.4	0	112.3	N706 I707 T723 V724 D725 Q730 W731	N706-K727 WeakPolarHBondContact O-CD 3.49Å; I707-K727 HydrophobicContact CB-CB 4.44Å; I707-K727 HydrophobicContact CG1-CB 3.88Å; I707-K727 HydrophobicContact CG2-CB 4.43Å; T723-K727 HydrophobicContact CG2-CG 4.46Å; T723-K727 WeakPolarHBondContact O-CB 3.28Å; T723-K727 WeakPolarHBondContact O-CG 3.45Å; T723-K727 PolarHBondContact O-N 3.22Å; V724-K727 PolarHBondContact O-N 3.42Å; D725-K727 VanDerWaalsContact C-N 3.33Å; D725-K727 PolarHBondContact O-N 2.85Å; K727-Q730 PolarHBondContact O-N 2.71Å; K727-W731 VanDerWaalsContact O-CB 3.3Å; K727-W731 WeakPolarHBondContact O-CB 3.22Å; K727-W731 PolarHBondContact O-N 3.49Å
728	L	93.3	Very high	90.6	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-45	176	-73.7	176.2	0	0	0	111.2	I707 V724 D725 W731 T732 L801 L950	I707-L728 HydrophobicContact CD1-CD2 4.01Å; I707-L728 HydrophobicContact CG2-CD2 4.17Å; I707-L728 HydrophobicContact CG2-CG 4.3Å; V724-L728 HydrophobicContact CG1-CD1 3.58Å; V724-L728 HydrophobicContact CG1-CG 4.14Å; V724-L728 WeakPolarHBondContact O-CB 3.4Å; V724-L728 WeakPolarHBondContact O-CG 3.05Å; V724-L728 PolarHBondContact O-N 2.84Å; D725-L728 PolarHBondContact O-N 3.34Å; L728-W731 HydrophobicContact CD2-CE3 3.95Å; L728-W731 HydrophobicContact CD2-CZ3 4.18Å; L728-W731 WeakPolarHBondContact O-CB 3.23Å; L728-W731 PolarHBondContact O-N 2.98Å; L728-T732 WeakPolarHBondContact O-CG2 3.44Å; L728-T732 PolarHBondContact O-N 3.28Å; L728-T732 PolarHBondContact O-OG1 3.03Å; L728-L801 HydrophobicContact CD1-CD2 4.4Å; L728-L801 HydrophobicContact CD2-CD1 4.32Å; L728-L801 HydrophobicContact CD2-CD2 4.25Å; L728-L950 HydrophobicContact CD1-CD1 4.1Å
729	K	91.8	Very high	91.2	Very high	99 Å²	99	52 Å²	52	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-47.7	177.2	-175.5	154	-165.3	135.9	0	112.5	D725 W731 T732 D733 H798	D725-K729 VanDerWaalsContact O-CB 3.29Å; D725-K729 WeakPolarHBondContact O-CB 3.12Å; D725-K729 PolarHBondContact O-N 2.99Å; K729-W731 PolarHBondContact O-N 3.46Å; K729-T732 WeakPolarHBondContact CA-OG1 3.35Å; K729-T732 PolarHBondContact O-N 3.04Å; K729-T732 PolarHBondContact O-OG1 2.8Å; K729-D733 WeakPolarHBondContact O-CB 3.4Å; K729-D733 PolarHBondContact O-N 3.46Å; K729-H798 PolarHBondContact NZ-CE1 3.15Å; K729-H798 PolarHBondContact NZ-NE2 3.47Å
730	Q	92.9	Very high	91.7	Very high	104 Å²	104	49.4 Å²	49.4	49%	0.486	24%	0.239	S	C	.	.	H	α-helix	trans	-59.4	-30.8	175.1	-73.4	175.1	11	0	0	112.8	I726 K727 K734	I726-Q730 WeakPolarHBondContact O-CB 3.43Å; I726-Q730 VanDerWaalsContact O-CG 3.22Å; I726-Q730 WeakPolarHBondContact O-CG 3.23Å; I726-Q730 PolarHBondContact O-N 3.4Å; K727-Q730 PolarHBondContact O-N 2.71Å; Q730-K734 WeakPolarHBondContact O-CB 3.41Å
731	W	94	Very high	91.9	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-78.8	-42.9	177.5	179.5	51.8	0	0	0	113.2	V699 H702 V703 I707 K727 L728 K729 Q735 L736 L801 M957	V699-W731 HydrophobicContact CB-CH2 4.28Å; V699-W731 HydrophobicContact CB-CZ2 3.77Å; V699-W731 HydrophobicContact CG1-CZ2 3.91Å; V699-W731 HydrophobicContact CG2-CH2 4.33Å; V699-W731 HydrophobicContact CG2-CZ2 4.31Å; H702-W731 AromaticContact CD2-CD1 3.26Å; H702-W731 AromaticContact CD2-CE2 3.81Å; H702-W731 AromaticContact CD2-CG 3.72Å; H702-W731 AromaticContact CD2-NE1 3.36Å; H702-W731 PolarHBondContact CD2-NE1 2.68Å; H702-W731 AromaticContact NE2-CD1 3.32Å; H702-W731 VanDerWaalsContact NE2-CD1 3.32Å; H702-W731 AromaticContact NE2-CG 3.71Å; H702-W731 AromaticContact NE2-NE1 3.92Å; V703-W731 HydrophobicContact CG2-CH2 3.8Å; V703-W731 HydrophobicContact CG2-CZ2 4.33Å; V703-W731 HydrophobicContact CG2-CZ3 4.2Å; I707-W731 HydrophobicContact CD1-CB 4.48Å; I707-W731 HydrophobicContact CD1-CD2 3.99Å; I707-W731 HydrophobicContact CD1-CE3 3.73Å; I707-W731 HydrophobicContact CD1-CG 4.34Å; I707-W731 HydrophobicContact CD1-CZ3 4.26Å; K727-W731 VanDerWaalsContact O-CB 3.3Å; K727-W731 WeakPolarHBondContact O-CB 3.22Å; K727-W731 PolarHBondContact O-N 3.49Å; L728-W731 HydrophobicContact CD2-CE3 3.95Å; L728-W731 HydrophobicContact CD2-CZ3 4.18Å; L728-W731 WeakPolarHBondContact O-CB 3.23Å; L728-W731 PolarHBondContact O-N 2.98Å; K729-W731 PolarHBondContact O-N 3.46Å; W731-Q735 PolarHBondContact O-N 3.04Å; W731-L736 HydrophobicContact CD2-CB 4.1Å; W731-L736 HydrophobicContact CD2-CD2 4.45Å; W731-L736 HydrophobicContact CE3-CD2 4.18Å; W731-L736 HydrophobicContact CG-CB 4.43Å; W731-L736 HydrophobicContact CH2-CD1 3.9Å; W731-L736 HydrophobicContact CH2-CD2 4.03Å; W731-L736 HydrophobicContact CH2-CG 4.41Å; W731-L736 HydrophobicContact CZ2-CB 4.12Å; W731-L736 HydrophobicContact CZ2-CD1 3.63Å; W731-L736 HydrophobicContact CZ2-CD2 4.26Å; W731-L736 HydrophobicContact CZ2-CG 4.19Å; W731-L736 HydrophobicContact CZ3-CD2 3.98Å; W731-L736 PolarHBondContact O-N 3.44Å; W731-L801 HydrophobicContact CZ3-CD1 4.43Å; W731-M957 HydrophobicContact CH2-CE 3.69Å; W731-M957 HydrophobicContact CZ3-CE 3.93Å
732	T	92.8	Very high	92.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-42.8	173.5	53.1	0	0	0	0	111.7	L728 K729 K734 L736 P737 Q797 H798 L801	L728-T732 WeakPolarHBondContact O-CG2 3.44Å; L728-T732 PolarHBondContact O-N 3.28Å; L728-T732 PolarHBondContact O-OG1 3.03Å; K729-T732 WeakPolarHBondContact CA-OG1 3.35Å; K729-T732 PolarHBondContact O-N 3.04Å; K729-T732 PolarHBondContact O-OG1 2.8Å; T732-K734 VanDerWaalsContact C-N 3.34Å; T732-K734 PolarHBondContact O-N 3.41Å; T732-L736 HydrophobicContact CG2-CD2 4.18Å; T732-P737 WeakPolarHBondContact O-CD 3.36Å; T732-P737 VanDerWaalsContact O-CG 3.29Å; T732-P737 WeakPolarHBondContact O-CG 3.31Å; T732-Q797 HydrophobicContact CG2-CB 4.48Å; T732-H798 PolarHBondContact OG1-ND1 2.98Å; T732-L801 HydrophobicContact CG2-CD1 3.44Å; T732-L801 VanDerWaalsContact CG2-CD1 3.44Å
733	D	90	Very high	92.4	Very high	74 Å²	74	47.9 Å²	47.9	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-69.8	-33.5	-174	-65.8	-14.5	0	0	0	112.1	K729	K729-D733 WeakPolarHBondContact O-CB 3.4Å; K729-D733 PolarHBondContact O-N 3.46Å
734	K	88.4	Confident	92.5	Very high	171 Å²	171	46 Å²	46	74%	0.743	22%	0.216	S	C	*	.	H	α-helix	trans	-116.8	-23.8	-165	-61.3	-175	178	-177.5	0	117	Q730 T732	Q730-K734 WeakPolarHBondContact O-CB 3.41Å; T732-K734 VanDerWaalsContact C-N 3.34Å; T732-K734 PolarHBondContact O-N 3.41Å
735	Q	92.4	Very high	92.6	Very high	79 Å²	79	48.8 Å²	48.8	37%	0.369	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137	-40.8	-170.2	-63.2	-169.9	17.8	0	0	115.5	W731 H738 K739	W731-Q735 PolarHBondContact O-N 3.04Å; Q735-H738 PolarHBondContact O-N 3.13Å; Q735-K739 HydrophobicContact CB-CD 4.45Å; Q735-K739 WeakPolarHBondContact O-CG 3.31Å; Q735-K739 PolarHBondContact O-N 3.06Å
736	L	92.9	Very high	92.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.5	-44.1	-171.9	173	61.8	0	0	0	113.4	V699 W731 T732 H738 K739 A740 Q797 L801 M957	V699-L736 HydrophobicContact CG1-CD1 4.25Å; W731-L736 HydrophobicContact CD2-CB 4.1Å; W731-L736 HydrophobicContact CD2-CD2 4.45Å; W731-L736 HydrophobicContact CE3-CD2 4.18Å; W731-L736 HydrophobicContact CG-CB 4.43Å; W731-L736 HydrophobicContact CH2-CD1 3.9Å; W731-L736 HydrophobicContact CH2-CD2 4.03Å; W731-L736 HydrophobicContact CH2-CG 4.41Å; W731-L736 HydrophobicContact CZ2-CB 4.12Å; W731-L736 HydrophobicContact CZ2-CD1 3.63Å; W731-L736 HydrophobicContact CZ2-CD2 4.26Å; W731-L736 HydrophobicContact CZ2-CG 4.19Å; W731-L736 HydrophobicContact CZ3-CD2 3.98Å; W731-L736 PolarHBondContact O-N 3.44Å; T732-L736 HydrophobicContact CG2-CD2 4.18Å; L736-H738 VanDerWaalsContact C-N 3.32Å; L736-H738 PolarHBondContact O-N 3.16Å; L736-K739 PolarHBondContact O-N 3.33Å; L736-A740 VanDerWaalsContact O-CB 3.26Å; L736-A740 WeakPolarHBondContact O-CB 3.47Å; L736-A740 PolarHBondContact O-N 3.07Å; L736-Q797 HydrophobicContact CD2-CB 4.05Å; L736-Q797 HydrophobicContact CD2-CG 4.12Å; L736-Q797 HydrophobicContact CG-CG 4.48Å; L736-L801 HydrophobicContact CD2-CD1 4.21Å; L736-M957 HydrophobicContact CD1-CE 4.23Å; L736-M957 HydrophobicContact CD1-SD 4.15Å; L736-M957 HydrophobicContact CD2-CE 3.92Å; L736-M957 HydrophobicContact CD2-CG 4.23Å; L736-M957 HydrophobicContact CD2-SD 3.71Å; L736-M957 HydrophobicContact CG-SD 4.46Å
737	P	93.8	Very high	92.7	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-61.7	-38.3	177.6	-23.6	32.9	0	0	0	112.9	T732 L741 M790 L793 R794	T732-P737 WeakPolarHBondContact O-CD 3.36Å; T732-P737 VanDerWaalsContact O-CG 3.29Å; T732-P737 WeakPolarHBondContact O-CG 3.31Å; P737-L741 WeakPolarHBondContact O-CB 3.49Å; P737-L741 PolarHBondContact O-N 3.07Å; P737-M790 HydrophobicContact CB-CG 3.72Å; P737-L793 HydrophobicContact CB-CB 4.34Å; P737-R794 HydrophobicContact CB-CB 4.49Å; P737-R794 HydrophobicContact CG-CB 3.76Å; P737-R794 HydrophobicContact CG-CG 3.97Å
738	H	93.1	Very high	92.7	Very high	104 Å²	104	42.6 Å²	42.6	48%	0.481	20%	0.195	S	C	.	.	H	α-helix	trans	-65.2	-52.4	176.4	-172.3	-65.7	0	0	0	111	Q735 L736 A740 L741 E742	Q735-H738 PolarHBondContact O-N 3.13Å; L736-H738 VanDerWaalsContact C-N 3.32Å; L736-H738 PolarHBondContact O-N 3.16Å; H738-A740 PolarHBondContact O-N 3.48Å; H738-L741 PolarHBondContact O-N 2.8Å; H738-E742 IonicContact CE1-OE2 3.5Å; H738-E742 IonicContact ND1-OE2 3.73Å; H738-E742 PolarHBondContact ND1-OE2 3.11Å; H738-E742 VanDerWaalsContact ND1-OE2 3.16Å; H738-E742 WeakPolarHBondContact O-CB 3.47Å; H738-E742 PolarHBondContact O-N 3.09Å
739	K	93	Very high	92.6	Very high	38 Å²	38	45.9 Å²	45.9	17%	0.165	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-33.1	179.2	-73	172.5	174	174	0	112.4	Q735 L736 V743	Q735-K739 HydrophobicContact CB-CD 4.45Å; Q735-K739 WeakPolarHBondContact O-CG 3.31Å; Q735-K739 PolarHBondContact O-N 3.06Å; L736-K739 PolarHBondContact O-N 3.33Å; K739-V743 WeakPolarHBondContact O-CB 3.29Å; K739-V743 VanDerWaalsContact O-CG2 3.31Å; K739-V743 WeakPolarHBondContact O-CG2 3.44Å; K739-V743 PolarHBondContact O-N 3.07Å; K739-V743 VanDerWaalsContact O-N 3.09Å
740	A	94.2	Very high	92.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-70.5	-42.9	176.2	0	0	0	0	0	112.8	L695 L736 H738 A744 T961 L965	L695-A740 HydrophobicContact CD1-CB 4.02Å; L736-A740 VanDerWaalsContact O-CB 3.26Å; L736-A740 WeakPolarHBondContact O-CB 3.47Å; L736-A740 PolarHBondContact O-N 3.07Å; H738-A740 PolarHBondContact O-N 3.48Å; A740-A744 WeakPolarHBondContact O-CB 3.25Å; A740-A744 PolarHBondContact O-N 2.69Å; A740-T961 HydrophobicContact CB-CG2 3.89Å; A740-L965 HydrophobicContact CB-CD1 4.26Å; A740-L965 WeakPolarHBondContact O-CD1 3.4Å
741	L	93.4	Very high	92.3	Very high	30 Å²	30	41 Å²	41	16%	0.157	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-40.7	176.3	-171	159.6	0	0	0	111.5	P737 H738 A744 W745 W785 A789 M790 L793	P737-L741 WeakPolarHBondContact O-CB 3.49Å; P737-L741 PolarHBondContact O-N 3.07Å; H738-L741 PolarHBondContact O-N 2.8Å; L741-A744 WeakPolarHBondContact O-CB 3.28Å; L741-A744 PolarHBondContact O-N 2.79Å; L741-W745 PolarHBondContact O-N 3.41Å; L741-W785 HydrophobicContact CD1-CG 4.14Å; L741-W785 HydrophobicContact CD2-CB 4.06Å; L741-W785 HydrophobicContact CD2-CD2 4.33Å; L741-W785 HydrophobicContact CD2-CG 3.91Å; L741-W785 HydrophobicContact CG-CD2 4.26Å; L741-W785 HydrophobicContact CG-CG 3.96Å; L741-A789 HydrophobicContact CD1-CB 4.32Å; L741-M790 HydrophobicContact CD1-CB 4.33Å; L741-M790 HydrophobicContact CD1-CE 4.48Å; L741-L793 HydrophobicContact CB-CD1 4.49Å
742	E	92.6	Very high	92.1	Very high	53 Å²	53	41 Å²	41	25%	0.248	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-51.4	175	-173.5	179.5	173.1	0	0	111.4	R698 H738 A744 W745 E746	R698-E742 IonicContact CZ-OE1 3.19Å; R698-E742 IonicContact NE-OE1 2.72Å; R698-E742 VanDerWaalsContact NH2-CD 3.29Å; R698-E742 IonicContact NH2-OE1 3.07Å; R698-E742 PolarHBondContact NH2-OE1 3.11Å; R698-E742 IonicContact NH2-OE2 2.74Å; R698-E742 PolarHBondContact NH2-OE2 3.47Å; H738-E742 IonicContact CE1-OE2 3.5Å; H738-E742 IonicContact ND1-OE2 3.73Å; H738-E742 PolarHBondContact ND1-OE2 3.11Å; H738-E742 VanDerWaalsContact ND1-OE2 3.16Å; H738-E742 WeakPolarHBondContact O-CB 3.47Å; H738-E742 PolarHBondContact O-N 3.09Å; E742-A744 VanDerWaalsContact C-N 3.32Å; E742-A744 PolarHBondContact O-N 3.25Å; E742-W745 PolarHBondContact O-N 3.08Å; E742-E746 WeakPolarHBondContact O-CG 3.48Å; E742-E746 PolarHBondContact O-N 3.4Å
743	V	94.4	Very high	91.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-39	173.8	165.9	0	0	0	0	112.1	K694 L695 R698 K739 W745 E746 T747	K694-V743 HydrophobicContact CB-CG1 3.71Å; L695-V743 HydrophobicContact CB-CG1 4.46Å; R698-V743 HydrophobicContact CB-CG2 3.71Å; R698-V743 HydrophobicContact CG-CG2 3.67Å; K739-V743 WeakPolarHBondContact O-CB 3.29Å; K739-V743 VanDerWaalsContact O-CG2 3.31Å; K739-V743 WeakPolarHBondContact O-CG2 3.44Å; K739-V743 PolarHBondContact O-N 3.07Å; K739-V743 VanDerWaalsContact O-N 3.09Å; V743-W745 VanDerWaalsContact C-N 3.33Å; V743-W745 PolarHBondContact O-N 2.94Å; V743-E746 PolarHBondContact O-N 3.24Å; V743-T747 WeakPolarHBondContact O-CG2 3.42Å; V743-T747 PolarHBondContact O-N 2.8Å; V743-T747 PolarHBondContact O-OG1 2.81Å
744	A	93.3	Very high	91.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-39.7	178	0	0	0	0	0	112	L691 A740 L741 E742 T747 L748 W785 L965	L691-A744 HydrophobicContact CD2-CB 4.09Å; A740-A744 WeakPolarHBondContact O-CB 3.25Å; A740-A744 PolarHBondContact O-N 2.69Å; L741-A744 WeakPolarHBondContact O-CB 3.28Å; L741-A744 PolarHBondContact O-N 2.79Å; E742-A744 VanDerWaalsContact C-N 3.32Å; E742-A744 PolarHBondContact O-N 3.25Å; A744-T747 WeakPolarHBondContact CA-OG1 3.4Å; A744-T747 PolarHBondContact O-N 2.74Å; A744-T747 PolarHBondContact O-OG1 2.67Å; A744-L748 PolarHBondContact O-N 2.99Å; A744-W785 HydrophobicContact CB-CH2 3.58Å; A744-W785 HydrophobicContact CB-CZ2 3.98Å; A744-W785 HydrophobicContact CB-CZ3 4.22Å; A744-L965 HydrophobicContact CB-CB 4.46Å; A744-L965 HydrophobicContact CB-CD1 4.15Å; A744-L965 HydrophobicContact CB-CD2 3.81Å; A744-L965 HydrophobicContact CB-CG 4.36Å
745	W	92.3	Very high	91.6	Very high	57 Å²	57	38.3 Å²	38.3	22%	0.216	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-46.4	173.9	176.5	-121.1	0	0	0	112.1	L741 E742 V743 T747 L748 Q749 I780 H783 W785	L741-W745 PolarHBondContact O-N 3.41Å; E742-W745 PolarHBondContact O-N 3.08Å; V743-W745 VanDerWaalsContact C-N 3.33Å; V743-W745 PolarHBondContact O-N 2.94Å; W745-T747 VanDerWaalsContact C-N 3.29Å; W745-T747 PolarHBondContact O-N 3.05Å; W745-L748 HydrophobicContact CE3-CB 4.35Å; W745-L748 HydrophobicContact CE3-CD2 4.22Å; W745-L748 HydrophobicContact CZ3-CD2 4.07Å; W745-L748 HydrophobicContact CZ3-CG 4.37Å; W745-L748 PolarHBondContact O-N 3.34Å; W745-L748 VanDerWaalsContact O-N 3.14Å; W745-Q749 WeakPolarHBondContact O-CB 3.12Å; W745-Q749 PolarHBondContact O-N 3.39Å; W745-I780 HydrophobicContact CH2-CG2 4.44Å; W745-I780 HydrophobicContact CZ2-CG2 3.88Å; W745-H783 AromaticContact CE3-CD2 3.54Å; W745-H783 AromaticContact CE3-NE2 3.87Å; W745-H783 HydrophobicContact CH2-CB 3.48Å; W745-H783 VanDerWaalsContact CH2-CB 3.48Å; W745-H783 AromaticContact CH2-CD2 3.51Å; W745-H783 AromaticContact CH2-CG 3.53Å; W745-H783 HydrophobicContact CZ2-CB 4.21Å; W745-H783 HydrophobicContact CZ3-CB 3.95Å; W745-H783 AromaticContact CZ3-CD2 3.11Å; W745-H783 WeakPolarHBondContact CZ3-CD2 3.43Å; W745-H783 AromaticContact CZ3-CG 3.43Å; W745-H783 VanDerWaalsContact CZ3-CG 3.43Å; W745-H783 AromaticContact CZ3-NE2 3.65Å; W745-W785 HydrophobicContact CB-CE3 4.35Å; W745-W785 HydrophobicContact CB-CZ3 4.5Å; W745-W785 HydrophobicContact CE3-CE3 4.39Å
746	E	92.9	Very high	91.1	Very high	73 Å²	73	35.3 Å²	35.3	34%	0.341	16%	0.164	S	C	.	.	H	α-helix	trans	-55.1	-43	173.3	-71.4	170.9	161.5	0	0	111.4	E742 V743 Q749 E750	E742-E746 WeakPolarHBondContact O-CG 3.48Å; E742-E746 PolarHBondContact O-N 3.4Å; V743-E746 PolarHBondContact O-N 3.24Å; E746-Q749 PolarHBondContact O-N 3.23Å; E746-E750 WeakPolarHBondContact O-CB 3.3Å; E746-E750 PolarHBondContact O-N 2.75Å
747	T	92.7	Very high	90.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-43.8	175.1	54.2	0	0	0	0	113.4	I690 L691 K694 V743 A744 W745 Q749 E750 E751	I690-T747 HydrophobicContact CG2-CG2 3.7Å; L691-T747 HydrophobicContact CD2-CG2 4.16Å; L691-T747 WeakPolarHBondContact CD2-OG1 3.48Å; K694-T747 HydrophobicContact CD-CG2 3.66Å; V743-T747 WeakPolarHBondContact O-CG2 3.42Å; V743-T747 PolarHBondContact O-N 2.8Å; V743-T747 PolarHBondContact O-OG1 2.81Å; A744-T747 WeakPolarHBondContact CA-OG1 3.4Å; A744-T747 PolarHBondContact O-N 2.74Å; A744-T747 PolarHBondContact O-OG1 2.67Å; W745-T747 VanDerWaalsContact C-N 3.29Å; W745-T747 PolarHBondContact O-N 3.05Å; T747-Q749 VanDerWaalsContact C-N 3.31Å; T747-Q749 PolarHBondContact O-N 2.8Å; T747-E750 PolarHBondContact O-N 3.42Å; T747-E751 WeakPolarHBondContact O-CB 3.36Å; T747-E751 VanDerWaalsContact O-CG 3.31Å; T747-E751 WeakPolarHBondContact O-CG 3.33Å; T747-E751 PolarHBondContact O-N 3.32Å
748	L	91.8	Very high	89.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.5	-39.8	179.2	-177.5	57	0	0	0	111	L679 W687 A744 W745 F752 W785 L969 E973 V974 L977	L679-L748 HydrophobicContact CD2-CD1 4.29Å; W687-L748 HydrophobicContact CH2-CD1 4.2Å; A744-L748 PolarHBondContact O-N 2.99Å; W745-L748 HydrophobicContact CE3-CB 4.35Å; W745-L748 HydrophobicContact CE3-CD2 4.22Å; W745-L748 HydrophobicContact CZ3-CD2 4.07Å; W745-L748 HydrophobicContact CZ3-CG 4.37Å; W745-L748 PolarHBondContact O-N 3.34Å; W745-L748 VanDerWaalsContact O-N 3.14Å; L748-F752 WeakPolarHBondContact O-CB 3.24Å; L748-F752 PolarHBondContact O-N 3.37Å; L748-W785 HydrophobicContact CD2-CZ3 4.27Å; L748-L969 HydrophobicContact CB-CD1 4.11Å; L748-L969 HydrophobicContact CD1-CD1 4.49Å; L748-L969 HydrophobicContact CD1-CD2 4.45Å; L748-L969 HydrophobicContact CD1-CG 4.39Å; L748-E973 HydrophobicContact CD2-CB 4.1Å; L748-V974 HydrophobicContact CD1-CG2 3.86Å; L748-L977 HydrophobicContact CD1-CD2 4.07Å; L748-L977 HydrophobicContact CD2-CD2 4.44Å; L748-L977 HydrophobicContact CG-CD2 4.1Å
749	Q	91.7	Very high	87.4	Confident	73 Å²	73	45.5 Å²	45.5	34%	0.341	22%	0.22	S	C	.	.	H	α-helix	trans	-65.7	-44.9	176.6	-175.7	176	-7.5	0	0	112.3	W745 E746 T747 A753 I780	W745-Q749 WeakPolarHBondContact O-CB 3.12Å; W745-Q749 PolarHBondContact O-N 3.39Å; E746-Q749 PolarHBondContact O-N 3.23Å; T747-Q749 VanDerWaalsContact C-N 3.31Å; T747-Q749 PolarHBondContact O-N 2.8Å; Q749-A753 WeakPolarHBondContact O-CB 3.41Å; Q749-A753 PolarHBondContact O-N 3.1Å; Q749-I780 HydrophobicContact CG-CD1 3.87Å; Q749-I780 HydrophobicContact CG-CG1 4.29Å; Q749-I780 HydrophobicContact CG-CG2 4.49Å
750	E	90.8	Very high	85.7	Confident	95 Å²	95	48.6 Å²	48.6	44%	0.444	23%	0.233	S	C	.	.	H	α-helix	trans	-67.9	-42.2	178.7	-81.9	178.7	-120	0	0	113.3	K694 E746 T747 A753 R754	K694-E750 IonicContact NZ-OE1 3.22Å; K694-E750 PolarHBondContact NZ-OE1 3.17Å; K694-E750 IonicContact NZ-OE2 2.7Å; K694-E750 PolarHBondContact NZ-OE2 2.91Å; E746-E750 WeakPolarHBondContact O-CB 3.3Å; E746-E750 PolarHBondContact O-N 2.75Å; T747-E750 PolarHBondContact O-N 3.42Å; E750-A753 PolarHBondContact O-N 2.89Å; E750-R754 WeakPolarHBondContact O-CB 3.41Å; E750-R754 PolarHBondContact O-N 3.19Å
751	E	88.8	Confident	83.8	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-44.5	177	-64.5	-60.1	131.6	0	0	110.5	L679 W687 T747 A753 R754 F755	L679-E751 HydrophobicContact CD1-CB 4.04Å; W687-E751 HydrophobicContact CH2-CB 3.74Å; W687-E751 HydrophobicContact CH2-CG 3.68Å; W687-E751 HydrophobicContact CZ2-CB 4.49Å; W687-E751 HydrophobicContact CZ3-CB 4.33Å; W687-E751 HydrophobicContact CZ3-CG 3.79Å; T747-E751 WeakPolarHBondContact O-CB 3.36Å; T747-E751 VanDerWaalsContact O-CG 3.31Å; T747-E751 WeakPolarHBondContact O-CG 3.33Å; T747-E751 PolarHBondContact O-N 3.32Å; E751-A753 PolarHBondContact O-N 2.65Å; E751-R754 WeakPolarHBondContact O-CB 3.23Å; E751-R754 PolarHBondContact O-N 2.94Å; E751-R754 VanDerWaalsContact O-N 3.14Å; E751-R754 IonicContact OE1-CZ 3.58Å; E751-R754 IonicContact OE1-NH1 3.3Å; E751-R754 PolarHBondContact OE1-NH1 2.88Å; E751-R754 IonicContact OE1-NH2 3.19Å; E751-R754 PolarHBondContact OE1-NH2 2.98Å; E751-R754 IonicContact OE2-CZ 3.91Å; E751-R754 IonicContact OE2-NH1 2.76Å; E751-R754 PolarHBondContact OE2-NH1 3.28Å; E751-R754 IonicContact OE2-NH2 2.72Å; E751-F755 VanDerWaalsContact O-CD2 3.24Å; E751-F755 WeakPolarHBondContact O-CD2 3.24Å; E751-F755 PolarHBondContact O-N 3.36Å
752	F	89.6	Confident	81.8	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-59	-46.2	173.7	174.1	-124.4	0	0	0	112.1	V676 L679 L748 R754 F755 M756 K776 I780 L977 V981	V676-F752 HydrophobicContact CG2-CE2 4.03Å; L679-F752 HydrophobicContact CD2-CB 4.13Å; L679-F752 HydrophobicContact CD2-CD2 4.3Å; L748-F752 WeakPolarHBondContact O-CB 3.24Å; L748-F752 PolarHBondContact O-N 3.37Å; F752-R754 VanDerWaalsContact C-N 3.26Å; F752-R754 PolarHBondContact O-N 2.99Å; F752-F755 PolarHBondContact O-N 3.14Å; F752-M756 HydrophobicContact CD2-CG 3.82Å; F752-M756 HydrophobicContact CD2-SD 4.48Å; F752-M756 HydrophobicContact CE1-CG 4.41Å; F752-M756 HydrophobicContact CE2-CG 3.44Å; F752-M756 VanDerWaalsContact CE2-CG 3.44Å; F752-M756 HydrophobicContact CE2-SD 3.68Å; F752-M756 HydrophobicContact CG-CG 4.44Å; F752-M756 HydrophobicContact CZ-CG 3.78Å; F752-M756 HydrophobicContact CZ-SD 4.11Å; F752-M756 WeakPolarHBondContact O-CB 3.42Å; F752-M756 VanDerWaalsContact O-CG 3.28Å; F752-M756 WeakPolarHBondContact O-CG 3.36Å; F752-M756 PolarHBondContact O-N 2.68Å; F752-K776 HydrophobicContact CE1-CB 4.19Å; F752-K776 HydrophobicContact CE1-CG 4.05Å; F752-K776 HydrophobicContact CZ-CB 4.42Å; F752-I780 HydrophobicContact CD1-CD1 4.28Å; F752-I780 HydrophobicContact CD1-CG1 4.15Å; F752-I780 HydrophobicContact CE1-CD1 4.36Å; F752-I780 HydrophobicContact CE1-CG1 4.15Å; F752-L977 HydrophobicContact CB-CD2 3.99Å; F752-L977 HydrophobicContact CD1-CD2 4.16Å; F752-L977 HydrophobicContact CD2-CD2 4.11Å; F752-L977 HydrophobicContact CE1-CD1 4.44Å; F752-L977 HydrophobicContact CG-CD2 3.83Å; F752-V981 HydrophobicContact CE2-CG2 4.05Å; F752-V981 HydrophobicContact CZ-CG2 3.75Å
753	A	88.9	Confident	79.9	Confident	37 Å²	37	63.3 Å²	63.3	31%	0.306	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-31.6	175.9	0	0	0	0	0	112.6	Q749 E750 E751 A757	Q749-A753 WeakPolarHBondContact O-CB 3.41Å; Q749-A753 PolarHBondContact O-N 3.1Å; E750-A753 PolarHBondContact O-N 2.89Å; E751-A753 PolarHBondContact O-N 2.65Å; A753-A757 WeakPolarHBondContact O-CB 3.31Å; A753-A757 PolarHBondContact O-N 3.47Å
754	R	87.2	Confident	78.5	Confident	120 Å²	120	64.5 Å²	64.5	45%	0.453	32%	0.319	S	S	.	.	H	α-helix	trans	-67	-50.4	172.7	-166.6	-175.4	-54.9	130.7	18	111.3	E750 E751 F752 M756 A757 E758	E750-R754 WeakPolarHBondContact O-CB 3.41Å; E750-R754 PolarHBondContact O-N 3.19Å; E751-R754 WeakPolarHBondContact O-CB 3.23Å; E751-R754 PolarHBondContact O-N 2.94Å; E751-R754 VanDerWaalsContact O-N 3.14Å; E751-R754 IonicContact OE1-CZ 3.58Å; E751-R754 IonicContact OE1-NH1 3.3Å; E751-R754 PolarHBondContact OE1-NH1 2.88Å; E751-R754 IonicContact OE1-NH2 3.19Å; E751-R754 PolarHBondContact OE1-NH2 2.98Å; E751-R754 IonicContact OE2-CZ 3.91Å; E751-R754 IonicContact OE2-NH1 2.76Å; E751-R754 PolarHBondContact OE2-NH1 3.28Å; E751-R754 IonicContact OE2-NH2 2.72Å; F752-R754 VanDerWaalsContact C-N 3.26Å; F752-R754 PolarHBondContact O-N 2.99Å; R754-M756 VanDerWaalsContact C-N 3.33Å; R754-M756 PolarHBondContact O-N 2.91Å; R754-A757 CarbonylContact O-C 3.59Å; R754-A757 PolarHBondContact O-N 3.48Å; R754-E758 WeakPolarHBondContact O-CB 3.43Å; R754-E758 PolarHBondContact O-N 3.42Å
755	F	83.8	Confident	77.2	Confident	33 Å²	33	65.6 Å²	65.6	15%	0.145	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-39.8	178.9	-79.7	-72.4	0	0	0	112.7	S678 L679 V682 E751 F752 A757 E758	S678-F755 WeakPolarHBondContact OG-CD1 3.26Å; L679-F755 HydrophobicContact CB-CD2 4.03Å; L679-F755 HydrophobicContact CB-CE2 4.32Å; L679-F755 HydrophobicContact CD1-CD2 3.72Å; L679-F755 HydrophobicContact CD1-CE2 3.78Å; L679-F755 HydrophobicContact CG-CD2 4.46Å; V682-F755 HydrophobicContact CG2-CE2 3.59Å; V682-F755 HydrophobicContact CG2-CZ 3.59Å; E751-F755 VanDerWaalsContact O-CD2 3.24Å; E751-F755 WeakPolarHBondContact O-CD2 3.24Å; E751-F755 PolarHBondContact O-N 3.36Å; F752-F755 PolarHBondContact O-N 3.14Å; F755-A757 PolarHBondContact O-N 3.47Å; F755-E758 PolarHBondContact O-N 3.02Å
756	M	81.8	Confident	76.4	Confident	15 Å²	15	68.3 Å²	68.3	7%	0.074	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-9.7	175.7	-66.6	-64.3	-59.5	0	0	113.9	I672 F752 R754 K772	I672-M756 HydrophobicContact CG1-CE 4.21Å; I672-M756 HydrophobicContact CG2-CE 3.95Å; I672-M756 HydrophobicContact CG2-SD 4.14Å; F752-M756 HydrophobicContact CD2-CG 3.82Å; F752-M756 HydrophobicContact CD2-SD 4.48Å; F752-M756 HydrophobicContact CE1-CG 4.41Å; F752-M756 HydrophobicContact CE2-CG 3.44Å; F752-M756 VanDerWaalsContact CE2-CG 3.44Å; F752-M756 HydrophobicContact CE2-SD 3.68Å; F752-M756 HydrophobicContact CG-CG 4.44Å; F752-M756 HydrophobicContact CZ-CG 3.78Å; F752-M756 HydrophobicContact CZ-SD 4.11Å; F752-M756 WeakPolarHBondContact O-CB 3.42Å; F752-M756 VanDerWaalsContact O-CG 3.28Å; F752-M756 WeakPolarHBondContact O-CG 3.36Å; F752-M756 PolarHBondContact O-N 2.68Å; R754-M756 VanDerWaalsContact C-N 3.33Å; R754-M756 PolarHBondContact O-N 2.91Å; M756-K772 HydrophobicContact CE-CB 3.75Å; M756-K772 HydrophobicContact CE-CD 4.45Å; M756-K772 HydrophobicContact CE-CG 3.99Å; M756-K772 WeakPolarHBondContact CE-O 3.32Å
757	A	78.6	Confident	75.9	Confident	79 Å²	79	66 Å²	66	65%	0.653	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	5.1	179	0	0	0	0	0	113.3	A753 R754 F755 Y759	A753-A757 WeakPolarHBondContact O-CB 3.31Å; A753-A757 PolarHBondContact O-N 3.47Å; R754-A757 CarbonylContact O-C 3.59Å; R754-A757 PolarHBondContact O-N 3.48Å; F755-A757 PolarHBondContact O-N 3.47Å; A757-Y759 PolarHBondContact O-N 2.97Å
758	E	69.7	Low	75.6	Confident	92 Å²	92	66 Å²	66	43%	0.43	33%	0.334	S	S	.	.			trans	-82.4	103.2	-175.9	-171.3	169.9	-122.8	0	0	110.5	R754 F755 K760	R754-E758 WeakPolarHBondContact O-CB 3.43Å; R754-E758 PolarHBondContact O-N 3.42Å; F755-E758 PolarHBondContact O-N 3.02Å; E758-K760 PolarHBondContact O-N 3.42Å
759	Y	54.5	Low	75.3	Confident	152 Å²	152	69.9 Å²	69.9	60%	0.596	35%	0.354	S	S	*	.			trans	-67.6	97.8	-168.6	-149.9	-76.3	0	0	0	112.7	A757 G761 Q764	A757-Y759 PolarHBondContact O-N 2.97Å; Y759-G761 VanDerWaalsContact C-N 3.28Å; Y759-G761 WeakPolarHBondContact CD1-O 3.47Å; Y759-G761 VanDerWaalsContact CE1-O 3.24Å; Y759-G761 WeakPolarHBondContact CE1-O 3.46Å; Y759-G761 PolarHBondContact O-N 3.01Å; Y759-Q764 HydrophobicContact CE1-CB 4.46Å
760	K	55.8	Low	75.1	Confident	102 Å²	102	71.5 Å²	71.5	44%	0.443	36%	0.36	S	S	.	.			trans	-85.4	62.7	-172.6	-80	167.6	-175.8	164.2	0	112.8	E758	E758-K760 PolarHBondContact O-N 3.42Å
761	G	55.3	Low	75.1	Confident	42 Å²	42	67 Å²	67	43%	0.433	34%	0.339	S	S	.	.	S	Bend	trans	90.4	-157.4	165.3	0	0	0	0	0	115.4	Y759	Y759-G761 VanDerWaalsContact C-N 3.28Å; Y759-G761 WeakPolarHBondContact CD1-O 3.47Å; Y759-G761 VanDerWaalsContact CE1-O 3.24Å; Y759-G761 WeakPolarHBondContact CE1-O 3.46Å; Y759-G761 PolarHBondContact O-N 3.01Å
762	K	50.6	Low	75.1	Confident	203 Å²	203	67.2 Å²	67.2	88%	0.883	34%	0.34	S	S	*	.	S	Bend	trans	-89.7	-7.9	-168.6	-76.1	-178.5	175.8	174.8	0	115.3
763	D	54.4	Low	75.1	Confident	147 Å²	147	72.5 Å²	72.5	79%	0.786	37%	0.365	S	S	*	.			trans	-114.1	10.6	-169.9	-56.1	-66.3	0	0	0	113.1
764	Q	63.8	Low	75.2	Confident	27 Å²	27	72 Å²	72	13%	0.126	36%	0.361	C	S	.	.			trans	-72.8	137.1	173.7	-165.2	147.2	45.8	0	0	109.9	E671 Y759	E671-Q764 PolarHBondContact OE1-NE2 3.42Å; Y759-Q764 HydrophobicContact CE1-CB 4.46Å
765	D	66.9	Low	75.5	Confident	22 Å²	22	66.3 Å²	66.3	12%	0.118	34%	0.339	C	S	.	.			trans	-95	109.4	-174.6	-90.1	-54.2	0	0	0	111.2	K667 I767 F768 R1003	K667-D765 IonicContact NZ-OD2 2.96Å; K667-D765 PolarHBondContact NZ-OD2 2.91Å; D765-I767 PolarHBondContact O-N 3.36Å; D765-F768 HydrophobicContact CB-CD2 3.85Å; D765-F768 HydrophobicContact CB-CE2 3.79Å; D765-F768 HydrophobicContact CB-CG 4.29Å; D765-F768 HydrophobicContact CB-CZ 4.18Å; D765-F768 PolarHBondContact O-N 3.34Å; D765-R1003 IonicContact OD1-CZ 2.75Å; D765-R1003 IonicContact OD1-NH1 2.7Å; D765-R1003 PolarHBondContact OD1-NH1 3.21Å; D765-R1003 IonicContact OD1-NH2 3.94Å; D765-R1003 PolarHBondContact OD1-NH2 3.18Å; D765-R1003 IonicContact OD2-NH2 3.12Å; D765-R1003 PolarHBondContact OD2-NH2 3.18Å
766	D	75.8	Confident	75.8	Confident	114 Å²	114	66.4 Å²	66.4	61%	0.61	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-18.5	175.9	-46.4	9.4	0	0	0	114.4	F768	D766-F768 PolarHBondContact O-N 3.1Å
767	I	82.1	Confident	76.3	Confident	24 Å²	24	69.5 Å²	69.5	12%	0.123	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.1	177.6	-54.1	-169.2	0	0	0	111.3	D765 I999 R1003 V1004	D765-I767 PolarHBondContact O-N 3.36Å; I767-I999 HydrophobicContact CG2-CG2 3.84Å; I767-R1003 HydrophobicContact CD1-CB 4.1Å; I767-V1004 HydrophobicContact CD1-CG2 3.98Å; I767-V1004 HydrophobicContact CG2-CG2 3.92Å
768	F	85.9	Confident	76.9	Confident	1 Å²	1	67.8 Å²	67.8	0%	0.004	34%	0.335	C	S	.	.	S	Bend	trans	-90	-17.7	-175.7	-57.4	-22.7	0	0	0	113.8	L664 K667 A668 D765 D766 K770 L771 K772	L664-F768 HydrophobicContact CB-CE1 4.31Å; L664-F768 HydrophobicContact CD2-CE1 4.29Å; L664-F768 HydrophobicContact CD2-CZ 4.23Å; K667-F768 HydrophobicContact CB-CZ 4.27Å; K667-F768 HydrophobicContact CD-CE2 3.93Å; K667-F768 HydrophobicContact CD-CZ 3.89Å; K667-F768 HydrophobicContact CG-CE2 4.12Å; K667-F768 HydrophobicContact CG-CZ 4.15Å; A668-F768 HydrophobicContact CB-CB 4.32Å; A668-F768 HydrophobicContact CB-CD1 3.63Å; A668-F768 HydrophobicContact CB-CD2 3.88Å; A668-F768 HydrophobicContact CB-CE1 3.81Å; A668-F768 HydrophobicContact CB-CE2 4.03Å; A668-F768 HydrophobicContact CB-CG 3.68Å; A668-F768 HydrophobicContact CB-CZ 4Å; D765-F768 HydrophobicContact CB-CD2 3.85Å; D765-F768 HydrophobicContact CB-CE2 3.79Å; D765-F768 HydrophobicContact CB-CG 4.29Å; D765-F768 HydrophobicContact CB-CZ 4.18Å; D765-F768 PolarHBondContact O-N 3.34Å; D766-F768 PolarHBondContact O-N 3.1Å; F768-K770 VanDerWaalsContact C-N 3.29Å; F768-K770 PolarHBondContact O-N 3.07Å; F768-L771 CarbonylContact O-C 3.57Å; F768-L771 WeakPolarHBondContact O-CA 3.32Å; F768-L771 WeakPolarHBondContact O-CB 3.44Å; F768-L771 PolarHBondContact O-N 3.26Å; F768-K772 PolarHBondContact O-N 3.49Å
769	D	85.3	Confident	78	Confident	81 Å²	81	63.4 Å²	63.4	43%	0.433	32%	0.315	S	S	.	.	H	α-helix	trans	-53.8	-43.4	-175.8	-62.9	-5.8	0	0	0	112.7	L771 K772 E773	D769-L771 VanDerWaalsContact C-N 3.34Å; D769-L771 PolarHBondContact O-N 3.03Å; D769-K772 PolarHBondContact O-N 3.09Å; D769-E773 WeakPolarHBondContact O-CB 3.45Å; D769-E773 PolarHBondContact O-N 2.91Å
770	K	87.8	Confident	79.7	Confident	108 Å²	108	57.4 Å²	57.4	47%	0.47	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-38.5	175.5	-68.6	-177.3	175.3	-174.6	0	113.3	F768 A774 T1000	F768-K770 VanDerWaalsContact C-N 3.29Å; F768-K770 PolarHBondContact O-N 3.07Å; K770-A774 WeakPolarHBondContact O-CB 3.41Å; K770-A774 PolarHBondContact O-N 3.21Å; K770-T1000 PolarHBondContact NZ-OG1 2.74Å
771	L	89.9	Confident	81.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-71.6	-42.8	177.7	177.2	60.8	0	0	0	109.9	F665 A668 I672 F768 D769 E773 A774 V775 F988 L998 I999	F665-L771 HydrophobicContact CD2-CD2 3.93Å; F665-L771 HydrophobicContact CE2-CD1 3.88Å; F665-L771 HydrophobicContact CE2-CD2 3.94Å; A668-L771 HydrophobicContact CB-CD2 3.7Å; I672-L771 HydrophobicContact CD1-CG 4.22Å; F768-L771 CarbonylContact O-C 3.57Å; F768-L771 WeakPolarHBondContact O-CA 3.32Å; F768-L771 WeakPolarHBondContact O-CB 3.44Å; F768-L771 PolarHBondContact O-N 3.26Å; D769-L771 VanDerWaalsContact C-N 3.34Å; D769-L771 PolarHBondContact O-N 3.03Å; L771-E773 PolarHBondContact O-N 3.02Å; L771-A774 PolarHBondContact O-N 3.46Å; L771-V775 HydrophobicContact CD1-CG2 3.75Å; L771-V775 HydrophobicContact CG-CG2 4.26Å; L771-V775 VanDerWaalsContact O-CB 3.26Å; L771-V775 WeakPolarHBondContact O-CB 3.43Å; L771-V775 WeakPolarHBondContact O-CG2 3.4Å; L771-V775 PolarHBondContact O-N 3.41Å; L771-F988 HydrophobicContact CD1-CD2 3.94Å; L771-L998 HydrophobicContact CD1-CD1 3.8Å; L771-I999 HydrophobicContact CD2-CD1 4.21Å; L771-I999 HydrophobicContact CD2-CG1 4.43Å
772	K	89.7	Confident	83.1	Confident	10 Å²	10	62 Å²	62	4%	0.043	30%	0.298	C	S	.	.	H	α-helix	trans	-57.2	-47.7	173.4	-70.8	-165.2	-179.6	-168.4	0	111.6	E671 I672 E675 M756 F768 D769 K776	E671-K772 WeakPolarHBondContact OE1-CE 3.29Å; E671-K772 IonicContact OE1-NZ 2.85Å; E671-K772 PolarHBondContact OE1-NZ 3.45Å; I672-K772 HydrophobicContact CD1-CG 3.89Å; I672-K772 HydrophobicContact CG1-CD 4.47Å; I672-K772 HydrophobicContact CG1-CG 3.88Å; E675-K772 IonicContact OE1-NZ 2.97Å; E675-K772 PolarHBondContact OE1-NZ 2.89Å; E675-K772 VanDerWaalsContact OE2-CE 3.32Å; E675-K772 WeakPolarHBondContact OE2-CE 3.27Å; E675-K772 IonicContact OE2-NZ 2.78Å; E675-K772 PolarHBondContact OE2-NZ 3.49Å; M756-K772 HydrophobicContact CE-CB 3.75Å; M756-K772 HydrophobicContact CE-CD 4.45Å; M756-K772 HydrophobicContact CE-CG 3.99Å; M756-K772 WeakPolarHBondContact CE-O 3.32Å; F768-K772 PolarHBondContact O-N 3.49Å; D769-K772 PolarHBondContact O-N 3.09Å; K772-K776 WeakPolarHBondContact O-CB 3.44Å; K772-K776 PolarHBondContact O-N 3.34Å
773	E	90.1	Very high	85	Confident	113 Å²	113	53 Å²	53	53%	0.528	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-50.7	176.5	173.6	143.5	-101	0	0	112.7	D769 L771 V775 K776 D777	D769-E773 WeakPolarHBondContact O-CB 3.45Å; D769-E773 PolarHBondContact O-N 2.91Å; L771-E773 PolarHBondContact O-N 3.02Å; E773-V775 PolarHBondContact O-N 2.86Å; E773-K776 WeakPolarHBondContact O-CB 3.46Å; E773-K776 WeakPolarHBondContact O-CE 3.49Å; E773-K776 PolarHBondContact O-N 2.94Å; E773-K776 IonicContact OE1-NZ 3.32Å; E773-K776 PolarHBondContact OE1-NZ 3.22Å; E773-D777 PolarHBondContact O-N 2.75Å
774	A	91.3	Very high	86.6	Confident	27 Å²	27	54 Å²	54	22%	0.223	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-38.5	-179.6	0	0	0	0	0	112.9	K770 L771 E778 F988 L998	K770-A774 WeakPolarHBondContact O-CB 3.41Å; K770-A774 PolarHBondContact O-N 3.21Å; L771-A774 PolarHBondContact O-N 3.46Å; A774-E778 WeakPolarHBondContact O-CB 3.24Å; A774-E778 PolarHBondContact O-N 2.99Å; A774-E778 VanDerWaalsContact O-N 3.08Å; A774-F988 HydrophobicContact CB-CE2 3.96Å; A774-L998 HydrophobicContact CB-CD1 4.18Å; A774-L998 HydrophobicContact CB-CD2 3.59Å
775	V	92.1	Very high	87.8	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-44.1	175.4	170.8	0	0	0	0	110.6	I672 L771 E773 S779 V981 V984 L985 F988	I672-V775 HydrophobicContact CG2-CG1 4.34Å; L771-V775 HydrophobicContact CD1-CG2 3.75Å; L771-V775 HydrophobicContact CG-CG2 4.26Å; L771-V775 VanDerWaalsContact O-CB 3.26Å; L771-V775 WeakPolarHBondContact O-CB 3.43Å; L771-V775 WeakPolarHBondContact O-CG2 3.4Å; L771-V775 PolarHBondContact O-N 3.41Å; E773-V775 PolarHBondContact O-N 2.86Å; V775-S779 WeakPolarHBondContact O-CB 3.46Å; V775-S779 PolarHBondContact O-N 3.33Å; V775-S779 PolarHBondContact O-OG 3.06Å; V775-V981 HydrophobicContact CG1-CG1 3.81Å; V775-V984 HydrophobicContact CB-CG1 4.36Å; V775-V984 HydrophobicContact CG1-CG1 4.25Å; V775-V984 HydrophobicContact CG2-CG1 4.18Å; V775-L985 HydrophobicContact CG1-CD2 4.28Å; V775-L985 HydrophobicContact CG1-CG 4.15Å; V775-L985 HydrophobicContact CG2-CD2 3.69Å; V775-L985 HydrophobicContact CG2-CG 4.28Å; V775-F988 HydrophobicContact CG2-CD2 3.9Å; V775-F988 HydrophobicContact CG2-CE2 3.94Å
776	K	91.1	Very high	88.8	Confident	35 Å²	35	56 Å²	56	15%	0.152	27%	0.266	C	S	.	.	H	α-helix	trans	-55.5	-54.2	174.8	170.7	-144.3	73.2	-175.9	0	110.9	F752 K772 E773 S779 I780	F752-K776 HydrophobicContact CE1-CB 4.19Å; F752-K776 HydrophobicContact CE1-CG 4.05Å; F752-K776 HydrophobicContact CZ-CB 4.42Å; K772-K776 WeakPolarHBondContact O-CB 3.44Å; K772-K776 PolarHBondContact O-N 3.34Å; E773-K776 WeakPolarHBondContact O-CB 3.46Å; E773-K776 WeakPolarHBondContact O-CE 3.49Å; E773-K776 PolarHBondContact O-N 2.94Å; E773-K776 IonicContact OE1-NZ 3.32Å; E773-K776 PolarHBondContact OE1-NZ 3.22Å; K776-S779 PolarHBondContact O-N 3.34Å; K776-I780 HydrophobicContact CG-CD1 3.97Å; K776-I780 WeakPolarHBondContact O-CB 3.29Å; K776-I780 WeakPolarHBondContact O-CD1 3.43Å; K776-I780 WeakPolarHBondContact O-CG1 3.48Å; K776-I780 PolarHBondContact O-N 2.92Å
777	D	91.4	Very high	89.1	Confident	81 Å²	81	59.1 Å²	59.1	43%	0.433	28%	0.277	S	S	.	.	H	α-helix	trans	-66.2	-44.4	-176.5	-73	-27.1	0	0	0	113	E773 I780 K781	E773-D777 PolarHBondContact O-N 2.75Å; D777-I780 PolarHBondContact O-N 3.5Å; D777-K781 VanDerWaalsContact O-CB 3.26Å; D777-K781 WeakPolarHBondContact O-CB 3.41Å; D777-K781 PolarHBondContact O-N 3.48Å
778	E	92.1	Very high	89.3	Confident	43 Å²	43	67.5 Å²	67.5	20%	0.201	31%	0.307	C	S	.	.	H	α-helix	trans	-68.9	-33.9	178.3	-175.3	62.7	-161.7	0	0	111.9	A774 K781 R782 V984 F988	A774-E778 WeakPolarHBondContact O-CB 3.24Å; A774-E778 PolarHBondContact O-N 2.99Å; A774-E778 VanDerWaalsContact O-N 3.08Å; E778-K781 VanDerWaalsContact CD-NZ 3.28Å; E778-K781 PolarHBondContact O-N 3.43Å; E778-K781 IonicContact OE1-NZ 3.92Å; E778-K781 PolarHBondContact OE1-NZ 2.81Å; E778-K781 IonicContact OE2-NZ 3.87Å; E778-K781 PolarHBondContact OE2-NZ 3.46Å; E778-R782 WeakPolarHBondContact O-CB 3.42Å; E778-R782 VanDerWaalsContact O-CG 3.29Å; E778-R782 WeakPolarHBondContact O-CG 3.31Å; E778-R782 PolarHBondContact O-N 2.91Å; E778-R782 IonicContact OE1-CZ 3.24Å; E778-R782 IonicContact OE1-NE 2.89Å; E778-R782 PolarHBondContact OE1-NE 3.46Å; E778-R782 IonicContact OE1-NH2 2.79Å; E778-R782 PolarHBondContact OE1-NH2 2.9Å; E778-V984 HydrophobicContact CB-CG1 4.06Å; E778-V984 HydrophobicContact CB-CG2 4.3Å; E778-V984 HydrophobicContact CG-CG1 4.09Å; E778-V984 HydrophobicContact CG-CG2 3.82Å; E778-F988 HydrophobicContact CB-CZ 4.3Å; E778-F988 HydrophobicContact CG-CZ 4.46Å
779	S	91.6	Very high	89.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-68.8	-41.2	176.4	-59.1	0	0	0	0	112.5	V775 K776 R782 H783 V981	V775-S779 WeakPolarHBondContact O-CB 3.46Å; V775-S779 PolarHBondContact O-N 3.33Å; V775-S779 PolarHBondContact O-OG 3.06Å; K776-S779 PolarHBondContact O-N 3.34Å; S779-R782 PolarHBondContact O-N 3.5Å; S779-H783 PolarHBondContact O-N 3.5Å; S779-V981 WeakPolarHBondContact OG-CA 3.38Å; S779-V981 WeakPolarHBondContact OG-CG2 3.44Å
780	I	90.3	Very high	89.6	Confident	26 Å²	26	66.7 Å²	66.7	13%	0.133	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-48	171.9	-71.9	164.6	0	0	0	109.7	W745 Q749 F752 K776 D777 R782 H783	W745-I780 HydrophobicContact CH2-CG2 4.44Å; W745-I780 HydrophobicContact CZ2-CG2 3.88Å; Q749-I780 HydrophobicContact CG-CD1 3.87Å; Q749-I780 HydrophobicContact CG-CG1 4.29Å; Q749-I780 HydrophobicContact CG-CG2 4.49Å; F752-I780 HydrophobicContact CD1-CD1 4.28Å; F752-I780 HydrophobicContact CD1-CG1 4.15Å; F752-I780 HydrophobicContact CE1-CD1 4.36Å; F752-I780 HydrophobicContact CE1-CG1 4.15Å; K776-I780 HydrophobicContact CG-CD1 3.97Å; K776-I780 WeakPolarHBondContact O-CB 3.29Å; K776-I780 WeakPolarHBondContact O-CD1 3.43Å; K776-I780 WeakPolarHBondContact O-CG1 3.48Å; K776-I780 PolarHBondContact O-N 2.92Å; D777-I780 PolarHBondContact O-N 3.5Å; I780-R782 VanDerWaalsContact C-N 3.33Å; I780-R782 PolarHBondContact O-N 3.48Å; I780-H783 PolarHBondContact O-N 3.12Å; I780-H783 VanDerWaalsContact O-N 3.17Å
781	K	92.1	Very high	89.6	Confident	151 Å²	151	65.7 Å²	65.7	66%	0.657	30%	0.301	S	S	*	.	H	α-helix	trans	-64.2	-30.2	179	170.1	169.8	159.1	-90.1	0	114.1	D777 E778	D777-K781 VanDerWaalsContact O-CB 3.26Å; D777-K781 WeakPolarHBondContact O-CB 3.41Å; D777-K781 PolarHBondContact O-N 3.48Å; E778-K781 VanDerWaalsContact CD-NZ 3.28Å; E778-K781 PolarHBondContact O-N 3.43Å; E778-K781 IonicContact OE1-NZ 3.92Å; E778-K781 PolarHBondContact OE1-NZ 2.81Å; E778-K781 IonicContact OE2-NZ 3.87Å; E778-K781 PolarHBondContact OE2-NZ 3.46Å
782	R	91.1	Very high	89.6	Confident	89 Å²	89	68.1 Å²	68.1	34%	0.336	32%	0.318	S	S	.	.	H	α-helix	trans	-84.1	-19.2	174.1	-72.6	176.4	-175.1	-156.8	1.9	113.6	E778 S779 I780 N980 D987	E778-R782 WeakPolarHBondContact O-CB 3.42Å; E778-R782 VanDerWaalsContact O-CG 3.29Å; E778-R782 WeakPolarHBondContact O-CG 3.31Å; E778-R782 PolarHBondContact O-N 2.91Å; E778-R782 IonicContact OE1-CZ 3.24Å; E778-R782 IonicContact OE1-NE 2.89Å; E778-R782 PolarHBondContact OE1-NE 3.46Å; E778-R782 IonicContact OE1-NH2 2.79Å; E778-R782 PolarHBondContact OE1-NH2 2.9Å; S779-R782 PolarHBondContact O-N 3.5Å; I780-R782 VanDerWaalsContact C-N 3.33Å; I780-R782 PolarHBondContact O-N 3.48Å; R782-N980 PolarHBondContact O-ND2 3.49Å; R782-D987 IonicContact CZ-OD2 3.78Å; R782-D987 IonicContact NH1-OD2 3.33Å; R782-D987 PolarHBondContact NH1-OD2 3.37Å; R782-D987 IonicContact NH2-OD2 2.71Å; R782-D987 PolarHBondContact NH2-OD2 3.35Å
783	H	90.4	Very high	89.8	Confident	15 Å²	15	67.6 Å²	67.6	7%	0.069	32%	0.316	C	S	.	.			trans	-68	138.7	-178.8	-172.9	90.6	0	0	0	111.7	W745 S779 I780 E973 N980	W745-H783 AromaticContact CE3-CD2 3.54Å; W745-H783 AromaticContact CE3-NE2 3.87Å; W745-H783 HydrophobicContact CH2-CB 3.48Å; W745-H783 VanDerWaalsContact CH2-CB 3.48Å; W745-H783 AromaticContact CH2-CD2 3.51Å; W745-H783 AromaticContact CH2-CG 3.53Å; W745-H783 HydrophobicContact CZ2-CB 4.21Å; W745-H783 HydrophobicContact CZ3-CB 3.95Å; W745-H783 AromaticContact CZ3-CD2 3.11Å; W745-H783 WeakPolarHBondContact CZ3-CD2 3.43Å; W745-H783 AromaticContact CZ3-CG 3.43Å; W745-H783 VanDerWaalsContact CZ3-CG 3.43Å; W745-H783 AromaticContact CZ3-NE2 3.65Å; S779-H783 PolarHBondContact O-N 3.5Å; I780-H783 PolarHBondContact O-N 3.12Å; I780-H783 VanDerWaalsContact O-N 3.17Å; H783-E973 IonicContact CE1-OE2 2.74Å; H783-E973 PolarHBondContact CE1-OE2 3.24Å; H783-E973 IonicContact NE2-OE2 3.3Å; H783-N980 VanDerWaalsContact CA-ND2 3.32Å; H783-N980 WeakPolarHBondContact CA-ND2 3.17Å; H783-N980 PolarHBondContact N-ND2 3.03Å
784	K	87.6	Confident	89.9	Confident	166 Å²	166	65.6 Å²	65.6	72%	0.722	30%	0.304	S	S	*	.			trans	-138	126.8	171.7	-64.3	-175	-179.2	-178.6	0	108.1	R976	K784-R976 VanDerWaalsContact O-CD 3.29Å; K784-R976 WeakPolarHBondContact O-CD 3.31Å; K784-R976 PolarHBondContact O-NH1 3.48Å
785	W	88.8	Confident	90	Very high	28 Å²	28	68.5 Å²	68.5	11%	0.106	32%	0.318	C	S	.	.			trans	-68.5	154.6	175	-158.5	-83.8	0	0	0	110.8	L741 A744 W745 L748 E787 L969 E973	L741-W785 HydrophobicContact CD1-CG 4.14Å; L741-W785 HydrophobicContact CD2-CB 4.06Å; L741-W785 HydrophobicContact CD2-CD2 4.33Å; L741-W785 HydrophobicContact CD2-CG 3.91Å; L741-W785 HydrophobicContact CG-CD2 4.26Å; L741-W785 HydrophobicContact CG-CG 3.96Å; A744-W785 HydrophobicContact CB-CH2 3.58Å; A744-W785 HydrophobicContact CB-CZ2 3.98Å; A744-W785 HydrophobicContact CB-CZ3 4.22Å; W745-W785 HydrophobicContact CB-CE3 4.35Å; W745-W785 HydrophobicContact CB-CZ3 4.5Å; W745-W785 HydrophobicContact CE3-CE3 4.39Å; L748-W785 HydrophobicContact CD2-CZ3 4.27Å; W785-E787 PolarHBondContact O-N 2.91Å; W785-L969 HydrophobicContact CH2-CB 4.4Å; W785-L969 HydrophobicContact CH2-CD1 4.45Å; W785-E973 HydrophobicContact CD2-CG 3.94Å; W785-E973 HydrophobicContact CE3-CB 4.39Å; W785-E973 HydrophobicContact CE3-CG 4Å; W785-E973 HydrophobicContact CH2-CB 4.34Å; W785-E973 HydrophobicContact CH2-CG 4.06Å; W785-E973 HydrophobicContact CZ2-CG 3.99Å; W785-E973 HydrophobicContact CZ3-CB 4.16Å; W785-E973 HydrophobicContact CZ3-CG 4.06Å
786	N	87.8	Confident	90	Very high	64 Å²	64	70.8 Å²	70.8	34%	0.342	33%	0.33	S	S	.	.			trans	-64.4	117.3	178.2	179.6	-3	0	0	0	111.4	R788 A789 E973 R976	N786-R788 PolarHBondContact O-N 3.28Å; N786-R788 VanDerWaalsContact O-N 3.11Å; N786-R788 PolarHBondContact OD1-N 3.15Å; N786-R788 VanDerWaalsContact OD1-N 3.09Å; N786-A789 HydrophobicContact CB-CB 4.44Å; N786-A789 WeakPolarHBondContact O-CB 3.49Å; N786-A789 PolarHBondContact O-N 2.83Å; N786-E973 VanDerWaalsContact CB-OE1 3.28Å; N786-E973 WeakPolarHBondContact CB-OE1 3.17Å; N786-E973 PolarHBondContact N-OE1 3.36Å; N786-R976 VanDerWaalsContact N-NH1 3.1Å
787	E	82.5	Confident	90.1	Very high	179 Å²	179	69.1 Å²	69.1	84%	0.836	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-37.8	-179.6	-61.2	177.6	160.7	0	0	112.8	W785 A789	W785-E787 PolarHBondContact O-N 2.91Å; E787-A789 PolarHBondContact O-N 3.45Å
788	R	86.8	Confident	90.1	Very high	201 Å²	201	66.8 Å²	66.8	76%	0.758	31%	0.31	S	S	*	.	H	α-helix	trans	-72.7	-12.8	-179.1	-58.7	-177.3	-176	-176.2	0.3	113.9	N786 M790 S792	N786-R788 PolarHBondContact O-N 3.28Å; N786-R788 VanDerWaalsContact O-N 3.11Å; N786-R788 PolarHBondContact OD1-N 3.15Å; N786-R788 VanDerWaalsContact OD1-N 3.09Å; R788-M790 VanDerWaalsContact C-N 3.29Å; R788-M790 PolarHBondContact O-N 3.12Å; R788-S792 PolarHBondContact O-N 3.22Å
789	A	87.8	Confident	90.1	Very high	3 Å²	3	69.3 Å²	69.3	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-37.9	177.8	0	0	0	0	0	111.6	L741 N786 E787 D791 S792 L793	L741-A789 HydrophobicContact CD1-CB 4.32Å; N786-A789 HydrophobicContact CB-CB 4.44Å; N786-A789 WeakPolarHBondContact O-CB 3.49Å; N786-A789 PolarHBondContact O-N 2.83Å; E787-A789 PolarHBondContact O-N 3.45Å; A789-D791 PolarHBondContact O-N 3.37Å; A789-S792 PolarHBondContact O-N 2.81Å; A789-L793 WeakPolarHBondContact O-CB 3.24Å; A789-L793 VanDerWaalsContact O-CG 3.22Å; A789-L793 WeakPolarHBondContact O-CG 3.46Å; A789-L793 PolarHBondContact O-N 3.39Å
790	M	88.8	Confident	90	Very high	62 Å²	62	69.5 Å²	69.5	31%	0.305	33%	0.326	S	S	.	.	H	α-helix	trans	-64.8	-41.9	-177.1	-167.1	-177.8	-63.9	0	0	112.2	P737 L741 R788 R794	P737-M790 HydrophobicContact CB-CG 3.72Å; L741-M790 HydrophobicContact CD1-CB 4.33Å; L741-M790 HydrophobicContact CD1-CE 4.48Å; R788-M790 VanDerWaalsContact C-N 3.29Å; R788-M790 PolarHBondContact O-N 3.12Å; M790-R794 PolarHBondContact O-N 3.01Å
791	D	88.6	Confident	90.1	Very high	86 Å²	86	68.5 Å²	68.5	46%	0.46	32%	0.321	S	S	.	.	H	α-helix	trans	-71.5	-38.9	177.8	-63.6	-35.2	0	0	0	111.9	A789 R794 V795	A789-D791 PolarHBondContact O-N 3.37Å; D791-R794 PolarHBondContact O-N 2.93Å; D791-R794 IonicContact OD1-CZ 3.64Å; D791-R794 VanDerWaalsContact OD1-CZ 3.23Å; D791-R794 IonicContact OD1-NH1 2.9Å; D791-R794 PolarHBondContact OD1-NH1 3.49Å; D791-R794 IonicContact OD1-NH2 3.5Å; D791-R794 PolarHBondContact OD1-NH2 3.16Å; D791-V795 PolarHBondContact O-N 3.29Å; D791-V795 VanDerWaalsContact O-N 3.16Å
792	S	90	Very high	89.9	Confident	51 Å²	51	66.7 Å²	66.7	36%	0.357	32%	0.315	S	S	.	.	H	α-helix	trans	-60	-45.8	173	174.8	0	0	0	0	111.8	R788 A789 V795 I796	R788-S792 PolarHBondContact O-N 3.22Å; A789-S792 PolarHBondContact O-N 2.81Å; S792-V795 PolarHBondContact O-N 2.83Å; S792-I796 WeakPolarHBondContact O-CD1 3.48Å; S792-I796 WeakPolarHBondContact O-CG1 3.38Å; S792-I796 PolarHBondContact O-N 3.37Å; S792-I796 VanDerWaalsContact O-N 3.15Å
793	L	93.1	Very high	89.6	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.8	-42.4	175.3	-72.1	165.9	0	0	0	111.4	P737 L741 A789 V795 I796 Q797 T961 T964 L965	P737-L793 HydrophobicContact CB-CB 4.34Å; L741-L793 HydrophobicContact CB-CD1 4.49Å; A789-L793 WeakPolarHBondContact O-CB 3.24Å; A789-L793 VanDerWaalsContact O-CG 3.22Å; A789-L793 WeakPolarHBondContact O-CG 3.46Å; A789-L793 PolarHBondContact O-N 3.39Å; L793-V795 PolarHBondContact O-N 3.29Å; L793-I796 PolarHBondContact O-N 2.95Å; L793-Q797 VanDerWaalsContact O-CB 3.24Å; L793-Q797 WeakPolarHBondContact O-CB 3.19Å; L793-Q797 WeakPolarHBondContact O-CG 3.44Å; L793-Q797 PolarHBondContact O-N 3.37Å; L793-Q797 PolarHBondContact O-OE1 3.17Å; L793-T961 HydrophobicContact CD2-CG2 4.45Å; L793-T964 HydrophobicContact CD2-CG2 3.83Å; L793-L965 HydrophobicContact CD1-CD2 3.68Å; L793-L965 HydrophobicContact CD2-CD2 3.9Å; L793-L965 HydrophobicContact CD2-CG 4.15Å; L793-L965 HydrophobicContact CG-CD2 4.42Å
794	R	93.4	Very high	89.2	Confident	71 Å²	71	69.2 Å²	69.2	27%	0.268	33%	0.327	S	S	.	.	H	α-helix	trans	-56.9	-48.1	178.5	-164.3	-173.2	-54.6	101.7	9.2	111.9	P737 M790 D791 H798	P737-R794 HydrophobicContact CB-CB 4.49Å; P737-R794 HydrophobicContact CG-CB 3.76Å; P737-R794 HydrophobicContact CG-CG 3.97Å; M790-R794 PolarHBondContact O-N 3.01Å; D791-R794 PolarHBondContact O-N 2.93Å; D791-R794 IonicContact OD1-CZ 3.64Å; D791-R794 VanDerWaalsContact OD1-CZ 3.23Å; D791-R794 IonicContact OD1-NH1 2.9Å; D791-R794 PolarHBondContact OD1-NH1 3.49Å; D791-R794 IonicContact OD1-NH2 3.5Å; D791-R794 PolarHBondContact OD1-NH2 3.16Å; R794-H798 WeakPolarHBondContact O-CB 3.3Å; R794-H798 PolarHBondContact O-N 3.41Å
795	V	92.6	Very high	88.9	Confident	87 Å²	87	64.3 Å²	64.3	53%	0.527	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-46.3	178.7	176	0	0	0	0	111.3	D791 S792 L793 Q797 H798 N799	D791-V795 PolarHBondContact O-N 3.29Å; D791-V795 VanDerWaalsContact O-N 3.16Å; S792-V795 PolarHBondContact O-N 2.83Å; L793-V795 PolarHBondContact O-N 3.29Å; V795-Q797 PolarHBondContact O-N 2.87Å; V795-H798 PolarHBondContact O-N 2.88Å; V795-N799 PolarHBondContact O-N 3.44Å; V795-N799 PolarHBondContact O-OD1 3.15Å
796	I	91.7	Very high	88.7	Confident	49 Å²	49	63.4 Å²	63.4	25%	0.251	31%	0.311	S	S	.	.	H	α-helix	trans	-64.2	-41.8	-178.8	-69.8	167.2	0	0	0	111.2	S792 L793 A800 I960 T964	S792-I796 WeakPolarHBondContact O-CD1 3.48Å; S792-I796 WeakPolarHBondContact O-CG1 3.38Å; S792-I796 PolarHBondContact O-N 3.37Å; S792-I796 VanDerWaalsContact O-N 3.15Å; L793-I796 PolarHBondContact O-N 2.95Å; I796-A800 VanDerWaalsContact O-CB 3.26Å; I796-A800 WeakPolarHBondContact O-CB 3.48Å; I796-A800 PolarHBondContact O-N 3Å; I796-I960 HydrophobicContact CG2-CG2 3.44Å; I796-I960 VanDerWaalsContact CG2-CG2 3.44Å; I796-T964 HydrophobicContact CD1-CG2 3.69Å
797	Q	93.7	Very high	88.4	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69.5	-35.7	177.6	-72.7	168.1	-19	0	0	112.4	T732 L736 L793 V795 L801 M957 T961	T732-Q797 HydrophobicContact CG2-CB 4.48Å; L736-Q797 HydrophobicContact CD2-CB 4.05Å; L736-Q797 HydrophobicContact CD2-CG 4.12Å; L736-Q797 HydrophobicContact CG-CG 4.48Å; L793-Q797 VanDerWaalsContact O-CB 3.24Å; L793-Q797 WeakPolarHBondContact O-CB 3.19Å; L793-Q797 WeakPolarHBondContact O-CG 3.44Å; L793-Q797 PolarHBondContact O-N 3.37Å; L793-Q797 PolarHBondContact O-OE1 3.17Å; V795-Q797 PolarHBondContact O-N 2.87Å; Q797-L801 WeakPolarHBondContact O-CB 3.26Å; Q797-L801 WeakPolarHBondContact O-CG 3.46Å; Q797-L801 PolarHBondContact O-N 3.38Å; Q797-L801 VanDerWaalsContact O-N 3.12Å; Q797-M957 HydrophobicContact CB-CG 4.42Å; Q797-M957 HydrophobicContact CG-CG 4.28Å; Q797-M957 HydrophobicContact CG-SD 4.41Å; Q797-T961 WeakPolarHBondContact CG-OG1 3.42Å; Q797-T961 VanDerWaalsContact NE2-CG2 3.26Å; Q797-T961 PolarHBondContact NE2-OG1 3.04Å; Q797-T961 VanDerWaalsContact NE2-OG1 3.15Å
798	H	92.2	Very high	88.6	Confident	32 Å²	32	59.6 Å²	59.6	15%	0.148	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-55.5	173.4	-154.7	60.8	0	0	0	110.4	K729 T732 R794 V795 A800 L801 E802	K729-H798 PolarHBondContact NZ-CE1 3.15Å; K729-H798 PolarHBondContact NZ-NE2 3.47Å; T732-H798 PolarHBondContact OG1-ND1 2.98Å; R794-H798 WeakPolarHBondContact O-CB 3.3Å; R794-H798 PolarHBondContact O-N 3.41Å; V795-H798 PolarHBondContact O-N 2.88Å; H798-A800 VanDerWaalsContact C-N 3.28Å; H798-A800 PolarHBondContact O-N 3.04Å; H798-L801 CarbonylContact O-C 3.55Å; H798-L801 PolarHBondContact O-N 3.41Å; H798-E802 IonicContact CD2-OE1 4Å; H798-E802 IonicContact CD2-OE2 2.7Å; H798-E802 IonicContact NE2-OE1 3.23Å; H798-E802 PolarHBondContact NE2-OE1 2.92Å; H798-E802 PolarHBondContact O-N 3.39Å
799	N	91.2	Very high	88.6	Confident	95 Å²	95	55 Å²	55	51%	0.508	29%	0.285	S	S	.	.	H	α-helix	trans	-59	-38	179.9	-62.4	0.7	0	0	0	112.4	V795 L801	V795-N799 PolarHBondContact O-N 3.44Å; V795-N799 PolarHBondContact O-OD1 3.15Å; N799-L801 VanDerWaalsContact C-N 3.29Å; N799-L801 PolarHBondContact O-N 3.1Å
800	A	90.6	Very high	88.8	Confident	5 Å²	5	59.6 Å²	59.6	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-70.1	-23.5	176.8	0	0	0	0	0	113.8	I796 H798 M957 I960	I796-A800 VanDerWaalsContact O-CB 3.26Å; I796-A800 WeakPolarHBondContact O-CB 3.48Å; I796-A800 PolarHBondContact O-N 3Å; H798-A800 VanDerWaalsContact C-N 3.28Å; H798-A800 PolarHBondContact O-N 3.04Å; A800-M957 HydrophobicContact CB-CB 4.19Å; A800-I960 HydrophobicContact CB-CD1 3.92Å
801	L	91.3	Very high	88.8	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-98.8	-17.4	177.2	-72.5	170.7	0	0	0	113.5	L728 W731 T732 L736 Q797 H798 N799 R953 M957	L728-L801 HydrophobicContact CD1-CD2 4.4Å; L728-L801 HydrophobicContact CD2-CD1 4.32Å; L728-L801 HydrophobicContact CD2-CD2 4.25Å; W731-L801 HydrophobicContact CZ3-CD1 4.43Å; T732-L801 HydrophobicContact CG2-CD1 3.44Å; T732-L801 VanDerWaalsContact CG2-CD1 3.44Å; L736-L801 HydrophobicContact CD2-CD1 4.21Å; Q797-L801 WeakPolarHBondContact O-CB 3.26Å; Q797-L801 WeakPolarHBondContact O-CG 3.46Å; Q797-L801 PolarHBondContact O-N 3.38Å; Q797-L801 VanDerWaalsContact O-N 3.12Å; H798-L801 CarbonylContact O-C 3.55Å; H798-L801 PolarHBondContact O-N 3.41Å; N799-L801 VanDerWaalsContact C-N 3.29Å; N799-L801 PolarHBondContact O-N 3.1Å; L801-R953 HydrophobicContact CD2-CB 4.06Å; L801-R953 WeakPolarHBondContact CD2-O 3.44Å; L801-R953 PolarHBondContact O-NE 2.83Å; L801-R953 PolarHBondContact O-NH2 3.32Å; L801-M957 HydrophobicContact CD1-CB 4.47Å; L801-M957 HydrophobicContact CD1-CG 3.95Å; L801-M957 HydrophobicContact CD2-CB 3.75Å; L801-M957 HydrophobicContact CD2-CG 4.13Å; L801-M957 HydrophobicContact CG-CB 3.84Å; L801-M957 HydrophobicContact CG-CG 3.81Å
802	E	87.2	Confident	88.9	Confident	112 Å²	112	55.4 Å²	55.4	52%	0.523	29%	0.291	S	S	.	.	H	α-helix	trans	-75.6	-33.1	174.8	-76.6	-168.5	136.8	0	0	112.9	H798	H798-E802 IonicContact CD2-OE1 4Å; H798-E802 IonicContact CD2-OE2 2.7Å; H798-E802 IonicContact NE2-OE1 3.23Å; H798-E802 PolarHBondContact NE2-OE1 2.92Å; H798-E802 PolarHBondContact O-N 3.39Å
803	D	84.8	Confident	88.9	Confident	46 Å²	46	55.8 Å²	55.8	25%	0.246	29%	0.289	C	S	.	.			trans	-62.2	140.2	175	-164.6	-15.6	0	0	0	111	S805 W952 R953 R956	D803-S805 WeakPolarHBondContact OD1-CB 3.38Å; D803-S805 PolarHBondContact OD1-N 3.28Å; D803-S805 PolarHBondContact OD1-OG 3.02Å; D803-W952 HydrophobicContact CB-CH2 4.5Å; D803-R953 WeakPolarHBondContact O-CG 3.33Å; D803-R956 IonicContact OD2-CZ 3.97Å; D803-R956 IonicContact OD2-NH1 3.46Å; D803-R956 PolarHBondContact OD2-NH1 3.35Å; D803-R956 IonicContact OD2-NH2 3.02Å; D803-R956 PolarHBondContact OD2-NH2 3.37Å
804	R	82.9	Confident	88.8	Confident	111 Å²	111	57.6 Å²	57.6	42%	0.419	30%	0.304	S	S	.	.			trans	-124.3	1.7	176.6	-56	-169.4	-167.4	159.9	4.3	113.2	D725 I806 Y934 V949	D725-R804 IonicContact OD2-CZ 2.76Å; D725-R804 IonicContact OD2-NE 3.87Å; D725-R804 IonicContact OD2-NH2 3.56Å; D725-R804 PolarHBondContact OD2-NH2 2.79Å; R804-I806 PolarHBondContact O-N 3.24Å; R804-Y934 PolarHBondContact O-OH 3Å; R804-V949 HydrophobicContact CB-CG1 3.99Å; R804-V949 WeakPolarHBondContact O-CG1 3.46Å
805	S	81.2	Confident	88.8	Confident	63 Å²	63	54.2 Å²	54.2	44%	0.441	29%	0.291	S	S	.	.			trans	-92.2	98.4	-164.4	61.1	0	0	0	0	113.7	D803 T807 W952	D803-S805 WeakPolarHBondContact OD1-CB 3.38Å; D803-S805 PolarHBondContact OD1-N 3.28Å; D803-S805 PolarHBondContact OD1-OG 3.02Å; S805-T807 PolarHBondContact O-N 3.47Å; S805-W952 VanDerWaalsContact C-CH2 3.47Å; S805-W952 WeakPolarHBondContact O-CH2 3.24Å; S805-W952 WeakPolarHBondContact O-CZ2 3.17Å
806	I	84.8	Confident	88.8	Confident	9 Å²	9	50.2 Å²	50.2	5%	0.046	27%	0.267	C	S	.	.			trans	-82.6	103.9	172.2	-52.8	177.1	0	0	0	108.6	R804 Q811 W812 F931 Y934 V948 V949 W952	R804-I806 PolarHBondContact O-N 3.24Å; I806-Q811 HydrophobicContact CG2-CB 3.89Å; I806-W812 HydrophobicContact CB-CE3 4.5Å; I806-W812 HydrophobicContact CD1-CE3 3.61Å; I806-W812 HydrophobicContact CD1-CZ3 3.92Å; I806-W812 HydrophobicContact CG2-CB 4.09Å; I806-W812 HydrophobicContact CG2-CE3 4.34Å; I806-F931 HydrophobicContact CG2-CE2 4.47Å; I806-Y934 HydrophobicContact CB-CE1 3.83Å; I806-Y934 HydrophobicContact CG1-CE1 4.47Å; I806-Y934 PolarHBondContact N-OH 2.66Å; I806-V948 HydrophobicContact CD1-CG1 4.46Å; I806-V949 HydrophobicContact CD1-CG2 4.28Å; I806-W952 HydrophobicContact CD1-CB 3.84Å; I806-W952 HydrophobicContact CD1-CD2 4.2Å; I806-W952 HydrophobicContact CD1-CG 3.85Å; I806-W952 HydrophobicContact CG1-CB 4.24Å; I806-W952 HydrophobicContact CG1-CD2 3.59Å; I806-W952 HydrophobicContact CG1-CE3 3.96Å; I806-W952 HydrophobicContact CG1-CG 3.71Å; I806-W952 HydrophobicContact CG1-CZ2 4.32Å; I806-W952 HydrophobicContact CG1-CZ3 4.5Å
807	T	81.7	Confident	88.9	Confident	80 Å²	80	53.2 Å²	53.2	49%	0.491	28%	0.28	S	S	.	.			trans	-77.5	-40.7	-175.7	46.7	0	0	0	0	113.7	S805 Q811	S805-T807 PolarHBondContact O-N 3.47Å; T807-Q811 PolarHBondContact OG1-NE2 3.48Å
808	D	86.8	Confident	88.9	Confident	83 Å²	83	54.4 Å²	54.4	44%	0.444	29%	0.285	S	S	.	.	S	Bend	trans	-123.2	144.2	-166.1	-45.3	-76.2	0	0	0	112.6	Q811 W812	D808-Q811 HydrophobicContact CB-CG 4.32Å; D808-Q811 WeakPolarHBondContact O-CB 3.48Å; D808-Q811 PolarHBondContact O-N 3.04Å; D808-Q811 PolarHBondContact OD2-NE2 2.9Å; D808-W812 PolarHBondContact O-N 2.96Å
809	K	87.2	Confident	88.9	Confident	106 Å²	106	52.9 Å²	52.9	46%	0.461	28%	0.278	S	S	.	.	H	α-helix	trans	-55.2	-41.1	178.4	-165	-171.6	177.1	-107.4	0	113.7	Q811 W812 D813 F931	K809-Q811 PolarHBondContact O-N 3.17Å; K809-W812 WeakPolarHBondContact O-CB 3.28Å; K809-W812 PolarHBondContact O-N 2.72Å; K809-D813 WeakPolarHBondContact CE-OD1 3.29Å; K809-D813 WeakPolarHBondContact CE-OD2 3.45Å; K809-D813 IonicContact NZ-OD1 3.9Å; K809-D813 PolarHBondContact NZ-OD1 3.37Å; K809-D813 IonicContact NZ-OD2 3.4Å; K809-D813 PolarHBondContact NZ-OD2 3.5Å; K809-D813 PolarHBondContact O-N 3.42Å; K809-F931 HydrophobicContact CB-CD1 3.85Å; K809-F931 HydrophobicContact CB-CE1 3.78Å; K809-F931 HydrophobicContact CB-CG 4.3Å; K809-F931 HydrophobicContact CB-CZ 4.16Å; K809-F931 HydrophobicContact CG-CB 4.43Å; K809-F931 HydrophobicContact CG-CD1 3.87Å; K809-F931 HydrophobicContact CG-CE1 4.33Å; K809-F931 HydrophobicContact CG-CG 4.06Å
810	P	90.6	Very high	89	Confident	98 Å²	98	49.9 Å²	49.9	64%	0.636	26%	0.261	S	S	*	.	H	α-helix	trans	-60.2	-29.6	176.6	-26	36.8	0	0	0	113.8	A814	P810-A814 WeakPolarHBondContact O-CB 3.49Å; P810-A814 PolarHBondContact O-N 3.36Å
811	Q	90	Very high	89.2	Confident	61 Å²	61	54.5 Å²	54.5	29%	0.285	28%	0.282	S	S	.	.	H	α-helix	trans	-71.7	-38.3	174.1	-58.9	-172.9	39.9	0	0	111.7	I806 T807 D808 K809 A815	I806-Q811 HydrophobicContact CG2-CB 3.89Å; T807-Q811 PolarHBondContact OG1-NE2 3.48Å; D808-Q811 HydrophobicContact CB-CG 4.32Å; D808-Q811 WeakPolarHBondContact O-CB 3.48Å; D808-Q811 PolarHBondContact O-N 3.04Å; D808-Q811 PolarHBondContact OD2-NE2 2.9Å; K809-Q811 PolarHBondContact O-N 3.17Å; Q811-A815 VanDerWaalsContact O-CB 3.31Å; Q811-A815 WeakPolarHBondContact O-CB 3.24Å; Q811-A815 PolarHBondContact O-N 2.96Å
812	W	89.9	Confident	89.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.7	-50.5	174	-177.8	-87	0	0	0	111.7	I806 D808 K809 A814 A815 I816 C927 F931 Y934 C945 V948	I806-W812 HydrophobicContact CB-CE3 4.5Å; I806-W812 HydrophobicContact CD1-CE3 3.61Å; I806-W812 HydrophobicContact CD1-CZ3 3.92Å; I806-W812 HydrophobicContact CG2-CB 4.09Å; I806-W812 HydrophobicContact CG2-CE3 4.34Å; D808-W812 PolarHBondContact O-N 2.96Å; K809-W812 WeakPolarHBondContact O-CB 3.28Å; K809-W812 PolarHBondContact O-N 2.72Å; W812-A814 VanDerWaalsContact C-N 3.32Å; W812-A814 PolarHBondContact O-N 3.16Å; W812-A815 PolarHBondContact O-N 2.91Å; W812-I816 HydrophobicContact CZ2-CD1 4.43Å; W812-I816 WeakPolarHBondContact O-CG1 3.22Å; W812-I816 PolarHBondContact O-N 3.4Å; W812-C927 PolarHBondContact NE1-O 2.93Å; W812-C927 VanDerWaalsContact NE1-O 3.08Å; W812-F931 HydrophobicContact CB-CB 4.48Å; W812-F931 HydrophobicContact CB-CD2 3.52Å; W812-F931 HydrophobicContact CB-CE2 4.13Å; W812-F931 HydrophobicContact CB-CG 4.28Å; W812-F931 HydrophobicContact CD2-CB 4.11Å; W812-F931 AromaticContact CD2-CD2 3.85Å; W812-F931 HydrophobicContact CD2-CD2 3.85Å; W812-F931 HydrophobicContact CD2-CG 4.49Å; W812-F931 HydrophobicContact CE3-CD2 4.04Å; W812-F931 HydrophobicContact CG-CB 3.88Å; W812-F931 AromaticContact CG-CD2 3.63Å; W812-F931 HydrophobicContact CG-CD2 3.63Å; W812-F931 HydrophobicContact CG-CG 4.16Å; W812-Y934 HydrophobicContact CE3-CD1 4.15Å; W812-Y934 HydrophobicContact CE3-CG 4.19Å; W812-Y934 HydrophobicContact CH2-CD2 4.09Å; W812-Y934 HydrophobicContact CH2-CG 4.04Å; W812-Y934 AromaticContact CZ3-CD1 3.88Å; W812-Y934 HydrophobicContact CZ3-CD1 3.88Å; W812-Y934 AromaticContact CZ3-CD2 3.62Å; W812-Y934 HydrophobicContact CZ3-CD2 3.62Å; W812-Y934 HydrophobicContact CZ3-CE1 4.34Å; W812-Y934 HydrophobicContact CZ3-CE2 4.11Å; W812-Y934 AromaticContact CZ3-CG 3.49Å; W812-Y934 HydrophobicContact CZ3-CG 3.49Å; W812-Y934 VanDerWaalsContact CZ3-CG 3.49Å; W812-C945 HydrophobicContact CH2-CB 3.59Å; W812-C945 HydrophobicContact CZ2-CB 3.75Å; W812-V948 HydrophobicContact CD2-CG1 3.96Å; W812-V948 HydrophobicContact CE3-CG1 3.97Å; W812-V948 HydrophobicContact CH2-CB 3.94Å; W812-V948 HydrophobicContact CH2-CG1 4.08Å; W812-V948 HydrophobicContact CH2-CG2 4.28Å; W812-V948 HydrophobicContact CZ2-CB 4.15Å; W812-V948 HydrophobicContact CZ2-CG1 4.09Å; W812-V948 HydrophobicContact CZ2-CG2 4.08Å; W812-V948 HydrophobicContact CZ3-CB 4.22Å; W812-V948 HydrophobicContact CZ3-CG1 4.03Å
813	D	91	Very high	89.5	Confident	58 Å²	58	49.3 Å²	49.3	31%	0.31	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-39.9	180	-66.1	-15.8	0	0	0	110.8	K809 I816 Q817	K809-D813 WeakPolarHBondContact CE-OD1 3.29Å; K809-D813 WeakPolarHBondContact CE-OD2 3.45Å; K809-D813 IonicContact NZ-OD1 3.9Å; K809-D813 PolarHBondContact NZ-OD1 3.37Å; K809-D813 IonicContact NZ-OD2 3.4Å; K809-D813 PolarHBondContact NZ-OD2 3.5Å; K809-D813 PolarHBondContact O-N 3.42Å; D813-I816 PolarHBondContact O-N 2.76Å; D813-Q817 PolarHBondContact O-N 2.98Å
814	A	90.9	Very high	90	Very high	38 Å²	38	51.6 Å²	51.6	31%	0.314	27%	0.267	S	S	.	.	H	α-helix	trans	-69.9	-33.7	175.8	0	0	0	0	0	114	P810 W812 F818 Q955	P810-A814 WeakPolarHBondContact O-CB 3.49Å; P810-A814 PolarHBondContact O-N 3.36Å; W812-A814 VanDerWaalsContact C-N 3.32Å; W812-A814 PolarHBondContact O-N 3.16Å; A814-F818 WeakPolarHBondContact O-CB 3.43Å; A814-F818 PolarHBondContact O-N 2.8Å; A814-Q955 PolarHBondContact O-NE2 3.12Å
815	A	92.4	Very high	90.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-70.5	-36.8	174.3	0	0	0	0	0	111.9	Q811 W812 F818 M819 V948 W952 Q955	Q811-A815 VanDerWaalsContact O-CB 3.31Å; Q811-A815 WeakPolarHBondContact O-CB 3.24Å; Q811-A815 PolarHBondContact O-N 2.96Å; W812-A815 PolarHBondContact O-N 2.91Å; A815-F818 PolarHBondContact O-N 3.45Å; A815-M819 WeakPolarHBondContact O-CB 3.48Å; A815-M819 PolarHBondContact O-N 2.94Å; A815-V948 HydrophobicContact CB-CG1 4.07Å; A815-W952 HydrophobicContact CB-CB 3.62Å; A815-W952 HydrophobicContact CB-CG 4.37Å; A815-Q955 VanDerWaalsContact CA-OE1 3.31Å
816	I	92.3	Very high	91	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-43.4	172	-73.7	-173.2	0	0	0	111.4	W812 D813 F818 M819 E820 C927 K928 V948	W812-I816 HydrophobicContact CZ2-CD1 4.43Å; W812-I816 WeakPolarHBondContact O-CG1 3.22Å; W812-I816 PolarHBondContact O-N 3.4Å; D813-I816 PolarHBondContact O-N 2.76Å; I816-F818 VanDerWaalsContact C-N 3.33Å; I816-F818 PolarHBondContact O-N 3.25Å; I816-M819 PolarHBondContact O-N 2.74Å; I816-E820 VanDerWaalsContact O-CB 3.29Å; I816-E820 WeakPolarHBondContact O-CB 3.32Å; I816-E820 PolarHBondContact O-N 3.44Å; I816-C927 HydrophobicContact CD1-CB 3.95Å; I816-C927 WeakPolarHBondContact CD1-O 3.38Å; I816-K928 HydrophobicContact CD1-CG 4.46Å; I816-K928 HydrophobicContact CG2-CD 4.47Å; I816-K928 HydrophobicContact CG2-CG 3.64Å; I816-V948 HydrophobicContact CD1-CG1 4.29Å; I816-V948 HydrophobicContact CD1-CG2 4.03Å; I816-V948 HydrophobicContact CG1-CB 4.35Å; I816-V948 HydrophobicContact CG1-CG1 3.62Å; I816-V948 HydrophobicContact CG1-CG2 3.74Å
817	Q	93.5	Very high	91.4	Very high	112 Å²	112	49.9 Å²	49.9	52%	0.523	26%	0.262	S	S	.	.	H	α-helix	trans	-59	-46.3	174.6	-178.6	176.6	-11.3	0	0	111.1	D813 M819 E820 E821	D813-Q817 PolarHBondContact O-N 2.98Å; Q817-M819 PolarHBondContact O-N 2.94Å; Q817-E820 PolarHBondContact O-N 3.2Å; Q817-E821 HydrophobicContact CG-CG 4.32Å; Q817-E821 VanDerWaalsContact CG-OE1 3.28Å; Q817-E821 WeakPolarHBondContact CG-OE1 3.48Å; Q817-E821 PolarHBondContact NE2-OE1 3.08Å; Q817-E821 WeakPolarHBondContact O-CB 3.33Å; Q817-E821 WeakPolarHBondContact O-CG 3.33Å; Q817-E821 PolarHBondContact O-N 3.12Å
818	F	93.8	Very high	92	Very high	24 Å²	24	53.7 Å²	53.7	11%	0.105	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-40	176.9	176.1	-113.9	0	0	0	113.1	W696 A814 A815 I816 T822 F951 I954 Q955 L958	W696-F818 HydrophobicContact CD2-CE2 4.07Å; W696-F818 AromaticContact CD2-CZ 3.94Å; W696-F818 HydrophobicContact CD2-CZ 3.94Å; W696-F818 AromaticContact CE2-CE2 3.71Å; W696-F818 AromaticContact CE2-CZ 3.73Å; W696-F818 AromaticContact CE3-CZ 3.99Å; W696-F818 HydrophobicContact CE3-CZ 3.99Å; W696-F818 HydrophobicContact CG-CE2 4.5Å; W696-F818 HydrophobicContact CH2-CE1 4.34Å; W696-F818 HydrophobicContact CH2-CE2 4.46Å; W696-F818 AromaticContact CH2-CZ 3.69Å; W696-F818 HydrophobicContact CH2-CZ 3.69Å; W696-F818 AromaticContact CZ2-CE2 3.95Å; W696-F818 HydrophobicContact CZ2-CE2 3.95Å; W696-F818 AromaticContact CZ2-CZ 3.63Å; W696-F818 HydrophobicContact CZ2-CZ 3.63Å; W696-F818 AromaticContact CZ3-CZ 3.87Å; W696-F818 HydrophobicContact CZ3-CZ 3.87Å; W696-F818 AromaticContact NE1-CE2 3.9Å; A814-F818 WeakPolarHBondContact O-CB 3.43Å; A814-F818 PolarHBondContact O-N 2.8Å; A815-F818 PolarHBondContact O-N 3.45Å; I816-F818 VanDerWaalsContact C-N 3.33Å; I816-F818 PolarHBondContact O-N 3.25Å; F818-T822 VanDerWaalsContact O-CB 3.24Å; F818-T822 WeakPolarHBondContact O-CB 3.39Å; F818-T822 PolarHBondContact O-N 3.18Å; F818-T822 VanDerWaalsContact O-N 3.09Å; F818-T822 PolarHBondContact O-OG1 2.79Å; F818-F951 HydrophobicContact CD1-CB 4.34Å; F818-F951 HydrophobicContact CD1-CD1 4.05Å; F818-F951 HydrophobicContact CE1-CD1 4.05Å; F818-I954 HydrophobicContact CE1-CG2 4.2Å; F818-I954 HydrophobicContact CZ-CG2 4.42Å; F818-Q955 HydrophobicContact CB-CG 4.45Å; F818-Q955 HydrophobicContact CD1-CB 3.73Å; F818-Q955 HydrophobicContact CD1-CG 4.06Å; F818-Q955 HydrophobicContact CE1-CB 3.9Å; F818-Q955 HydrophobicContact CE1-CG 4.46Å; F818-Q955 HydrophobicContact CG-CB 4.31Å; F818-Q955 HydrophobicContact CG-CG 4.12Å; F818-L958 HydrophobicContact CE2-CD1 4.48Å; F818-L958 HydrophobicContact CZ-CD1 3.86Å
819	M	93.4	Very high	92.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-48.2	172.8	179.6	176.6	175.4	0	0	111.4	A815 I816 Q817 T822 L823 C924 D947 V948 F951	A815-M819 WeakPolarHBondContact O-CB 3.48Å; A815-M819 PolarHBondContact O-N 2.94Å; I816-M819 PolarHBondContact O-N 2.74Å; Q817-M819 PolarHBondContact O-N 2.94Å; M819-T822 PolarHBondContact O-N 3.23Å; M819-L823 HydrophobicContact CE-CD1 3.72Å; M819-L823 HydrophobicContact CG-CD1 3.8Å; M819-L823 HydrophobicContact CG-CG 4.4Å; M819-L823 WeakPolarHBondContact O-CB 3.49Å; M819-L823 VanDerWaalsContact O-CG 3.26Å; M819-L823 WeakPolarHBondContact O-CG 3.35Å; M819-L823 PolarHBondContact O-N 2.91Å; M819-C924 HydrophobicContact CE-CB 3.97Å; M819-C924 HydrophobicContact CG-CB 4.48Å; M819-C924 HydrophobicContact SD-CB 4.19Å; M819-D947 HydrophobicContact CE-CB 3.51Å; M819-D947 HydrophobicContact SD-CB 3.91Å; M819-V948 HydrophobicContact SD-CG2 4.42Å; M819-F951 HydrophobicContact CB-CB 3.94Å; M819-F951 HydrophobicContact CB-CD1 3.96Å; M819-F951 HydrophobicContact CB-CD2 3.93Å; M819-F951 HydrophobicContact CB-CE1 4.47Å; M819-F951 HydrophobicContact CB-CE2 4.45Å; M819-F951 HydrophobicContact CB-CG 3.66Å; M819-F951 HydrophobicContact CE-CD2 4.36Å; M819-F951 HydrophobicContact CE-CE2 4.23Å; M819-F951 HydrophobicContact CG-CB 4.48Å; M819-F951 HydrophobicContact CG-CD1 4.24Å; M819-F951 HydrophobicContact CG-CD2 3.54Å; M819-F951 HydrophobicContact CG-CE1 4.39Å; M819-F951 HydrophobicContact CG-CE2 3.73Å; M819-F951 HydrophobicContact CG-CG 3.83Å; M819-F951 HydrophobicContact CG-CZ 4.15Å; M819-F951 HydrophobicContact SD-CD2 3.71Å; M819-F951 HydrophobicContact SD-CE2 4.12Å; M819-F951 HydrophobicContact SD-CG 4.36Å
820	E	93.8	Very high	92.4	Very high	32 Å²	32	48.2 Å²	48.2	15%	0.15	25%	0.247	C	C	.	.	H	α-helix	trans	-63.9	-49.4	-178.7	178.7	164.2	-133.6	0	0	112.1	I816 Q817 T822 L823 Q824 N925 K928	I816-E820 VanDerWaalsContact O-CB 3.29Å; I816-E820 WeakPolarHBondContact O-CB 3.32Å; I816-E820 PolarHBondContact O-N 3.44Å; Q817-E820 PolarHBondContact O-N 3.2Å; E820-T822 VanDerWaalsContact C-N 3.28Å; E820-T822 PolarHBondContact O-N 2.79Å; E820-L823 PolarHBondContact O-N 3.11Å; E820-Q824 HydrophobicContact CG-CG 4.36Å; E820-Q824 WeakPolarHBondContact O-CB 3.33Å; E820-Q824 VanDerWaalsContact O-CG 3.26Å; E820-Q824 WeakPolarHBondContact O-CG 3.49Å; E820-Q824 PolarHBondContact O-N 2.89Å; E820-N925 PolarHBondContact OE1-ND2 3.1Å; E820-K928 IonicContact OE1-NZ 2.66Å; E820-K928 PolarHBondContact OE1-NZ 3.35Å; E820-K928 WeakPolarHBondContact OE2-CE 3.5Å; E820-K928 IonicContact OE2-NZ 2.7Å; E820-K928 PolarHBondContact OE2-NZ 3.15Å
821	E	93.6	Very high	92.5	Very high	103 Å²	103	47.6 Å²	47.6	48%	0.481	24%	0.236	S	C	.	.	H	α-helix	trans	-58.6	-40.5	175.3	-72.8	175.2	-173	0	0	111.5	Q817 S825	Q817-E821 HydrophobicContact CG-CG 4.32Å; Q817-E821 VanDerWaalsContact CG-OE1 3.28Å; Q817-E821 WeakPolarHBondContact CG-OE1 3.48Å; Q817-E821 PolarHBondContact NE2-OE1 3.08Å; Q817-E821 WeakPolarHBondContact O-CB 3.33Å; Q817-E821 WeakPolarHBondContact O-CG 3.33Å; Q817-E821 PolarHBondContact O-N 3.12Å; E821-S825 WeakPolarHBondContact O-CB 3.18Å; E821-S825 PolarHBondContact O-N 3.43Å
822	T	92.6	Very high	92.5	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.043	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-49	176.4	-62.7	0	0	0	0	112	W696 I704 F818 M819 E820 S825 R826 F951	W696-T822 HydrophobicContact CH2-CG2 4.28Å; W696-T822 HydrophobicContact CZ2-CG2 3.66Å; W696-T822 WeakPolarHBondContact CZ2-OG1 3.26Å; I704-T822 HydrophobicContact CD1-CG2 3.84Å; I704-T822 HydrophobicContact CG1-CG2 4.16Å; F818-T822 VanDerWaalsContact O-CB 3.24Å; F818-T822 WeakPolarHBondContact O-CB 3.39Å; F818-T822 PolarHBondContact O-N 3.18Å; F818-T822 VanDerWaalsContact O-N 3.09Å; F818-T822 PolarHBondContact O-OG1 2.79Å; M819-T822 PolarHBondContact O-N 3.23Å; E820-T822 VanDerWaalsContact C-N 3.28Å; E820-T822 PolarHBondContact O-N 2.79Å; T822-S825 PolarHBondContact O-N 3.06Å; T822-R826 WeakPolarHBondContact O-CG 3.48Å; T822-R826 PolarHBondContact O-N 3.33Å; T822-F951 HydrophobicContact CG2-CE1 4.02Å
823	L	92.9	Very high	92.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-68.1	-39.4	-178.3	-68.5	173.6	0	0	0	111.5	Y708 M819 E820 L827 L917 A920	Y708-L823 HydrophobicContact CE1-CD2 4.04Å; M819-L823 HydrophobicContact CE-CD1 3.72Å; M819-L823 HydrophobicContact CG-CD1 3.8Å; M819-L823 HydrophobicContact CG-CG 4.4Å; M819-L823 WeakPolarHBondContact O-CB 3.49Å; M819-L823 VanDerWaalsContact O-CG 3.26Å; M819-L823 WeakPolarHBondContact O-CG 3.35Å; M819-L823 PolarHBondContact O-N 2.91Å; E820-L823 PolarHBondContact O-N 3.11Å; L823-L827 WeakPolarHBondContact O-CB 3.44Å; L823-L827 PolarHBondContact O-N 3.05Å; L823-L917 HydrophobicContact CD2-CD2 3.54Å; L823-A920 HydrophobicContact CD1-CB 3.86Å; L823-A920 HydrophobicContact CD2-CB 4.18Å
824	Q	94.6	Very high	92.6	Very high	95 Å²	95	47.9 Å²	47.9	44%	0.444	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-45.8	173.1	-73.9	-179.7	16.7	0	0	111.8	E820 L827 K828 L921	E820-Q824 HydrophobicContact CG-CG 4.36Å; E820-Q824 WeakPolarHBondContact O-CB 3.33Å; E820-Q824 VanDerWaalsContact O-CG 3.26Å; E820-Q824 WeakPolarHBondContact O-CG 3.49Å; E820-Q824 PolarHBondContact O-N 2.89Å; Q824-L827 PolarHBondContact O-N 3.19Å; Q824-K828 WeakPolarHBondContact O-CB 3.31Å; Q824-K828 PolarHBondContact O-N 3.01Å; Q824-L921 HydrophobicContact CG-CD1 3.5Å; Q824-L921 VanDerWaalsContact CG-CD1 3.5Å
825	S	92.9	Very high	92.5	Very high	63 Å²	63	50.8 Å²	50.8	44%	0.441	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-49.8	177.6	-172.8	0	0	0	0	111.4	E821 T822 L827 K828 D829	E821-S825 WeakPolarHBondContact O-CB 3.18Å; E821-S825 PolarHBondContact O-N 3.43Å; T822-S825 PolarHBondContact O-N 3.06Å; S825-L827 PolarHBondContact O-N 3.48Å; S825-K828 WeakPolarHBondContact O-CB 3.37Å; S825-K828 PolarHBondContact O-N 3.22Å; S825-D829 PolarHBondContact O-N 3.05Å
826	R	92.3	Very high	92.3	Very high	62 Å²	62	56.6 Å²	56.6	23%	0.234	28%	0.282	C	S	.	.	H	α-helix	trans	-70.3	-28.7	178.5	-66	-51.8	-173.6	-169.6	0.9	114	S700 T701 I704 T822 D829 N830 L917	S700-R826 PolarHBondContact OG-NH2 2.65Å; T701-R826 PolarHBondContact OG1-NH2 3.41Å; I704-R826 HydrophobicContact CG1-CG 4.39Å; T822-R826 WeakPolarHBondContact O-CG 3.48Å; T822-R826 PolarHBondContact O-N 3.33Å; R826-D829 VanDerWaalsContact CD-OD2 3.29Å; R826-D829 WeakPolarHBondContact CD-OD2 3.5Å; R826-D829 IonicContact CZ-OD2 2.63Å; R826-D829 IonicContact NE-OD2 2.8Å; R826-D829 IonicContact NH1-OD2 3.96Å; R826-D829 PolarHBondContact NH1-OD2 3.08Å; R826-N830 VanDerWaalsContact O-CB 3.29Å; R826-N830 WeakPolarHBondContact O-CB 3.43Å; R826-N830 PolarHBondContact O-N 3.44Å; R826-L917 HydrophobicContact CB-CD1 4.22Å; R826-L917 HydrophobicContact CB-CD2 4.41Å
827	L	93	Very high	92	Very high	22 Å²	22	58.1 Å²	58.1	12%	0.115	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-45.5	171	179.2	60.5	0	0	0	110.5	L823 Q824 S825 N830 E831 R914 L917 Q918	L823-L827 WeakPolarHBondContact O-CB 3.44Å; L823-L827 PolarHBondContact O-N 3.05Å; Q824-L827 PolarHBondContact O-N 3.19Å; S825-L827 PolarHBondContact O-N 3.48Å; L827-N830 PolarHBondContact O-N 2.97Å; L827-E831 HydrophobicContact CD1-CG 4.1Å; L827-E831 HydrophobicContact CG-CG 4.44Å; L827-E831 WeakPolarHBondContact O-CB 3.49Å; L827-E831 WeakPolarHBondContact O-CG 3.25Å; L827-E831 PolarHBondContact O-N 3.34Å; L827-R914 HydrophobicContact CD1-CG 3.87Å; L827-L917 HydrophobicContact CB-CB 4.31Å; L827-L917 HydrophobicContact CD1-CB 4.15Å; L827-Q918 HydrophobicContact CD1-CG 3.81Å; L827-Q918 HydrophobicContact CD2-CG 3.76Å; L827-Q918 HydrophobicContact CG-CG 4.47Å
828	K	94	Very high	91.7	Very high	159 Å²	159	53.4 Å²	53.4	69%	0.691	27%	0.269	S	S	*	.	H	α-helix	trans	-62.4	-43.2	176.6	-176.3	-178.1	177.2	-175.5	0	112.3	Q824 S825 S832	Q824-K828 WeakPolarHBondContact O-CB 3.31Å; Q824-K828 PolarHBondContact O-N 3.01Å; S825-K828 WeakPolarHBondContact O-CB 3.37Å; S825-K828 PolarHBondContact O-N 3.22Å; K828-S832 PolarHBondContact O-N 3.4Å
829	D	90.9	Very high	91.3	Very high	63 Å²	63	52.5 Å²	52.5	34%	0.337	27%	0.266	S	S	.	.	H	α-helix	trans	-56.1	-52.5	171.8	-70.7	-20.5	0	0	0	110.3	S825 R826 E831 S832 V833	S825-D829 PolarHBondContact O-N 3.05Å; R826-D829 VanDerWaalsContact CD-OD2 3.29Å; R826-D829 WeakPolarHBondContact CD-OD2 3.5Å; R826-D829 IonicContact CZ-OD2 2.63Å; R826-D829 IonicContact NE-OD2 2.8Å; R826-D829 IonicContact NH1-OD2 3.96Å; R826-D829 PolarHBondContact NH1-OD2 3.08Å; D829-E831 PolarHBondContact O-N 3.35Å; D829-S832 PolarHBondContact O-N 3.02Å; D829-S832 PolarHBondContact O-OG 3.02Å; D829-V833 PolarHBondContact O-N 2.82Å
830	N	91.8	Very high	90.8	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.064	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-38.2	-176.4	-166.7	-101.3	0	0	0	113	R826 L827 S832 V833 I834 Q910 R914 L917	R826-N830 VanDerWaalsContact O-CB 3.29Å; R826-N830 WeakPolarHBondContact O-CB 3.43Å; R826-N830 PolarHBondContact O-N 3.44Å; L827-N830 PolarHBondContact O-N 2.97Å; N830-S832 VanDerWaalsContact C-N 3.33Å; N830-S832 PolarHBondContact O-N 3.22Å; N830-V833 PolarHBondContact O-N 3.45Å; N830-I834 WeakPolarHBondContact O-CB 3.23Å; N830-I834 WeakPolarHBondContact O-CG1 3.23Å; N830-I834 PolarHBondContact O-N 2.99Å; N830-I834 VanDerWaalsContact OD1-CD1 3.25Å; N830-I834 WeakPolarHBondContact OD1-CD1 3.32Å; N830-Q910 PolarHBondContact ND2-OE1 3.19Å; N830-Q910 PolarHBondContact OD1-O 2.81Å; N830-R914 WeakPolarHBondContact OD1-CB 3.45Å; N830-R914 PolarHBondContact OD1-N 2.67Å; N830-L917 HydrophobicContact CB-CD1 4.39Å
831	E	91.9	Very high	90.2	Very high	84 Å²	84	56.5 Å²	56.5	39%	0.393	29%	0.29	S	S	.	.	H	α-helix	trans	-65.6	-33.8	174.4	-75	-176.6	171.8	0	0	112.2	L827 D829 K835 R914 Q918	L827-E831 HydrophobicContact CD1-CG 4.1Å; L827-E831 HydrophobicContact CG-CG 4.44Å; L827-E831 WeakPolarHBondContact O-CB 3.49Å; L827-E831 WeakPolarHBondContact O-CG 3.25Å; L827-E831 PolarHBondContact O-N 3.34Å; D829-E831 PolarHBondContact O-N 3.35Å; E831-K835 VanDerWaalsContact O-CB 3.29Å; E831-K835 WeakPolarHBondContact O-CB 3.27Å; E831-K835 PolarHBondContact O-N 2.96Å; E831-R914 HydrophobicContact CG-CG 4.09Å; E831-Q918 PolarHBondContact OE1-NE2 3.05Å; E831-Q918 VanDerWaalsContact OE1-NE2 3.08Å
832	S	91.9	Very high	89.4	Confident	58 Å²	58	59.8 Å²	59.8	41%	0.406	30%	0.298	S	S	.	.	H	α-helix	trans	-67.7	-43.8	172	71.6	0	0	0	0	112.5	K828 D829 N830 I834 K835 D836	K828-S832 PolarHBondContact O-N 3.4Å; D829-S832 PolarHBondContact O-N 3.02Å; D829-S832 PolarHBondContact O-OG 3.02Å; N830-S832 VanDerWaalsContact C-N 3.33Å; N830-S832 PolarHBondContact O-N 3.22Å; S832-I834 PolarHBondContact O-N 2.95Å; S832-K835 WeakPolarHBondContact O-CB 3.43Å; S832-K835 PolarHBondContact O-N 3.42Å; S832-K835 VanDerWaalsContact O-N 3.11Å; S832-D836 PolarHBondContact O-N 2.89Å
833	V	91.3	Very high	88.8	Confident	60 Å²	60	65.8 Å²	65.8	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-59.5	-44.5	173.3	171.2	0	0	0	0	111.3	D829 N830 K835 D836 M837 Q910	D829-V833 PolarHBondContact O-N 2.82Å; N830-V833 PolarHBondContact O-N 3.45Å; V833-K835 VanDerWaalsContact C-N 3.31Å; V833-K835 PolarHBondContact O-N 3.24Å; V833-D836 PolarHBondContact O-N 3.48Å; V833-M837 HydrophobicContact CG1-SD 3.9Å; V833-M837 WeakPolarHBondContact O-CB 3.47Å; V833-M837 VanDerWaalsContact O-CG 3.26Å; V833-M837 WeakPolarHBondContact O-CG 3.31Å; V833-M837 PolarHBondContact O-N 2.81Å; V833-Q910 HydrophobicContact CG1-CG 4.49Å
834	I	89.9	Confident	88.1	Confident	8 Å²	8	68.7 Å²	68.7	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-62.3	-39.6	175.5	-72	165.3	0	0	0	111	N830 S832 M837 V838 K863 Q910 L911 R914	N830-I834 WeakPolarHBondContact O-CB 3.23Å; N830-I834 WeakPolarHBondContact O-CG1 3.23Å; N830-I834 PolarHBondContact O-N 2.99Å; N830-I834 VanDerWaalsContact OD1-CD1 3.25Å; N830-I834 WeakPolarHBondContact OD1-CD1 3.32Å; S832-I834 PolarHBondContact O-N 2.95Å; I834-M837 PolarHBondContact O-N 2.69Å; I834-V838 HydrophobicContact CG2-CG2 4.25Å; I834-V838 VanDerWaalsContact O-CB 3.24Å; I834-V838 WeakPolarHBondContact O-CB 3.35Å; I834-V838 VanDerWaalsContact O-CG2 3.23Å; I834-V838 WeakPolarHBondContact O-CG2 3.48Å; I834-V838 PolarHBondContact O-N 3Å; I834-K863 HydrophobicContact CG2-CD 4.26Å; I834-Q910 HydrophobicContact CD1-CB 4.3Å; I834-Q910 HydrophobicContact CG1-CB 3.88Å; I834-L911 HydrophobicContact CD1-CD2 4.16Å; I834-L911 HydrophobicContact CG2-CD2 4.36Å; I834-R914 HydrophobicContact CD1-CB 3.74Å; I834-R914 HydrophobicContact CD1-CG 4.19Å
835	K	89.2	Confident	87.4	Confident	99 Å²	99	68.5 Å²	68.5	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-44.3	178.6	-174.5	179.8	-176.8	176.1	0	111.9	E831 S832 V833 V838 G839 E844	E831-K835 VanDerWaalsContact O-CB 3.29Å; E831-K835 WeakPolarHBondContact O-CB 3.27Å; E831-K835 PolarHBondContact O-N 2.96Å; S832-K835 WeakPolarHBondContact O-CB 3.43Å; S832-K835 PolarHBondContact O-N 3.42Å; S832-K835 VanDerWaalsContact O-N 3.11Å; V833-K835 VanDerWaalsContact C-N 3.31Å; V833-K835 PolarHBondContact O-N 3.24Å; K835-V838 PolarHBondContact O-N 2.99Å; K835-G839 WeakPolarHBondContact O-CA 3.46Å; K835-G839 PolarHBondContact O-N 3.31Å; K835-E844 WeakPolarHBondContact CE-OE1 3.42Å; K835-E844 WeakPolarHBondContact CE-OE2 3.39Å; K835-E844 IonicContact NZ-OE1 2.66Å; K835-E844 PolarHBondContact NZ-OE1 3.34Å; K835-E844 IonicContact NZ-OE2 3.09Å
836	D	88.6	Confident	86.5	Confident	121 Å²	121	74 Å²	74	65%	0.647	34%	0.343	S	S	*	.	H	α-helix	trans	-67.4	-40.6	178	-69.8	-17.1	0	0	0	111.8	S832 V833 V838 Q856	S832-D836 PolarHBondContact O-N 2.89Å; V833-D836 PolarHBondContact O-N 3.48Å; D836-V838 PolarHBondContact O-N 2.87Å; D836-Q856 PolarHBondContact O-NE2 3.05Å
837	M	86.7	Confident	85.8	Confident	37 Å²	37	76.8 Å²	76.8	18%	0.182	36%	0.362	C	S	.	.	H	α-helix	trans	-62.4	-37.4	174.9	-75.5	175.4	69	0	0	113.5	V833 I834 R859 T907 Q910	V833-M837 HydrophobicContact CG1-SD 3.9Å; V833-M837 WeakPolarHBondContact O-CB 3.47Å; V833-M837 VanDerWaalsContact O-CG 3.26Å; V833-M837 WeakPolarHBondContact O-CG 3.31Å; V833-M837 PolarHBondContact O-N 2.81Å; I834-M837 PolarHBondContact O-N 2.69Å; M837-R859 WeakPolarHBondContact O-CB 3.47Å; M837-R859 VanDerWaalsContact O-CD 3.3Å; M837-R859 WeakPolarHBondContact O-CD 3.29Å; M837-T907 HydrophobicContact CE-CG2 3.89Å; M837-Q910 HydrophobicContact CE-CG 4.28Å; M837-Q910 HydrophobicContact SD-CG 3.89Å
838	V	86.9	Confident	84.9	Confident	13 Å²	13	78.8 Å²	78.8	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-95.7	-20.5	-173.8	171.1	0	0	0	0	112.6	I834 K835 D836 R852 N860 K863	I834-V838 HydrophobicContact CG2-CG2 4.25Å; I834-V838 VanDerWaalsContact O-CB 3.24Å; I834-V838 WeakPolarHBondContact O-CB 3.35Å; I834-V838 VanDerWaalsContact O-CG2 3.23Å; I834-V838 WeakPolarHBondContact O-CG2 3.48Å; I834-V838 PolarHBondContact O-N 3Å; K835-V838 PolarHBondContact O-N 2.99Å; D836-V838 PolarHBondContact O-N 2.87Å; V838-R852 WeakPolarHBondContact O-CD 3.3Å; V838-R852 PolarHBondContact O-NE 2.98Å; V838-N860 HydrophobicContact CG1-CB 3.84Å; V838-N860 VanDerWaalsContact CG1-OD1 3.26Å; V838-N860 WeakPolarHBondContact CG1-OD1 3.15Å; V838-K863 HydrophobicContact CG1-CD 4.47Å; V838-K863 HydrophobicContact CG2-CB 4.38Å; V838-K863 HydrophobicContact CG2-CD 3.81Å
839	G	84.1	Confident	83.8	Confident	4 Å²	4	78.3 Å²	78.3	4%	0.041	37%	0.372	C	S	.	.			trans	75.7	164.6	-178.1	0	0	0	0	0	114.4	K835 R852 Q856	K835-G839 WeakPolarHBondContact O-CA 3.46Å; K835-G839 PolarHBondContact O-N 3.31Å; G839-R852 PolarHBondContact O-NE 3.05Å; G839-R852 PolarHBondContact O-NH2 2.91Å; G839-Q856 VanDerWaalsContact CA-CD 3.45Å
840	P	84	Confident	83.2	Confident	23 Å²	23	78.7 Å²	78.7	15%	0.149	38%	0.376	C	S	.	.			trans	-55.9	144.2	-165.7	19.5	-32.8	0	0	0	113.4	E844 R845 V850 R852	P840-E844 WeakPolarHBondContact CA-OE2 3.26Å; P840-E844 HydrophobicContact CB-CB 3.9Å; P840-R845 HydrophobicContact CB-CG 4.05Å; P840-R845 HydrophobicContact CG-CG 3.91Å; P840-R845 WeakPolarHBondContact O-CD 3.36Å; P840-R845 WeakPolarHBondContact O-CG 3.37Å; P840-R845 PolarHBondContact O-NE 3.44Å; P840-V850 HydrophobicContact CG-CB 4.1Å; P840-V850 HydrophobicContact CG-CG1 3.79Å; P840-R852 VanDerWaalsContact O-CZ 3.25Å; P840-R852 PolarHBondContact O-NE 3.37Å; P840-R852 PolarHBondContact O-NH2 3.06Å
841	D	80.6	Confident	82.5	Confident	94 Å²	94	84.7 Å²	84.7	50%	0.503	41%	0.408	S	S	.	.			trans	-72.5	171.3	-173.9	-124.3	-27.6	0	0	0	113.4	K843 E844 R845 R852	D841-K843 VanDerWaalsContact C-N 3.28Å; D841-K843 PolarHBondContact O-N 2.89Å; D841-E844 HydrophobicContact CB-CG 4.23Å; D841-E844 PolarHBondContact N-OE2 2.82Å; D841-E844 PolarHBondContact O-N 3.29Å; D841-E844 VanDerWaalsContact O-N 3.11Å; D841-R845 WeakPolarHBondContact O-CB 3.31Å; D841-R845 VanDerWaalsContact O-CG 3.31Å; D841-R845 WeakPolarHBondContact O-CG 3.29Å; D841-R845 PolarHBondContact O-N 2.95Å; D841-R845 PolarHBondContact O-NE 3.14Å; D841-R852 IonicContact OD1-NH2 3.18Å
842	W	76.3	Confident	82.2	Confident	172 Å²	172	82.7 Å²	82.7	65%	0.652	40%	0.397	S	S	*	.	H	α-helix	trans	-60.4	-36.2	-176.8	77.5	-95.3	0	0	0	113.6	W846	W842-W846 PolarHBondContact O-N 3.42Å
843	K	80.5	Confident	81.9	Confident	132 Å²	132	83 Å²	83	57%	0.574	40%	0.397	S	S	*	.	H	α-helix	trans	-65.2	-46.9	172.7	-64.5	-172.5	177.7	-175.2	0	110.7	D841 W846 L847	D841-K843 VanDerWaalsContact C-N 3.28Å; D841-K843 PolarHBondContact O-N 2.89Å; K843-W846 PolarHBondContact O-N 3.03Å; K843-L847 WeakPolarHBondContact O-CG 3.42Å; K843-L847 PolarHBondContact O-N 2.88Å; K843-L847 VanDerWaalsContact O-N 3.09Å
844	E	78.9	Confident	81.5	Confident	61 Å²	61	85.3 Å²	85.3	29%	0.285	41%	0.413	S	S	.	.	H	α-helix	trans	-66	-45.7	-176.7	-56.4	-172.9	126.7	0	0	112.2	K835 P840 D841 W846 L847 S848	K835-E844 WeakPolarHBondContact CE-OE1 3.42Å; K835-E844 WeakPolarHBondContact CE-OE2 3.39Å; K835-E844 IonicContact NZ-OE1 2.66Å; K835-E844 PolarHBondContact NZ-OE1 3.34Å; K835-E844 IonicContact NZ-OE2 3.09Å; P840-E844 WeakPolarHBondContact CA-OE2 3.26Å; P840-E844 HydrophobicContact CB-CB 3.9Å; D841-E844 HydrophobicContact CB-CG 4.23Å; D841-E844 PolarHBondContact N-OE2 2.82Å; D841-E844 PolarHBondContact O-N 3.29Å; D841-E844 VanDerWaalsContact O-N 3.11Å; E844-W846 PolarHBondContact O-N 2.69Å; E844-W846 VanDerWaalsContact O-N 3.17Å; E844-L847 PolarHBondContact O-N 2.69Å; E844-S848 PolarHBondContact O-N 2.96Å; E844-S848 PolarHBondContact O-OG 3Å
845	R	79.4	Confident	81.1	Confident	92 Å²	92	89.5 Å²	89.5	35%	0.347	43%	0.432	S	S	.	.	H	α-helix	trans	-55.4	-33.1	175.4	-70.5	-176.3	-77.3	154.7	-2.4	113	P840 D841 W849 V850	P840-R845 HydrophobicContact CB-CG 4.05Å; P840-R845 HydrophobicContact CG-CG 3.91Å; P840-R845 WeakPolarHBondContact O-CD 3.36Å; P840-R845 WeakPolarHBondContact O-CG 3.37Å; P840-R845 PolarHBondContact O-NE 3.44Å; D841-R845 WeakPolarHBondContact O-CB 3.31Å; D841-R845 VanDerWaalsContact O-CG 3.31Å; D841-R845 WeakPolarHBondContact O-CG 3.29Å; D841-R845 PolarHBondContact O-N 2.95Å; D841-R845 PolarHBondContact O-NE 3.14Å; R845-W849 PolarHBondContact O-N 2.97Å; R845-V850 WeakPolarHBondContact CB-O 2.92Å; R845-V850 VanDerWaalsContact CG-O 3.27Å; R845-V850 WeakPolarHBondContact CG-O 3.16Å
846	W	74.8	Confident	81	Confident	178 Å²	178	86.5 Å²	86.5	67%	0.674	42%	0.42	S	S	*	.	H	α-helix	trans	-78.4	-34.7	177.4	-169.6	86.7	0	0	0	112.6	W842 K843 E844	W842-W846 PolarHBondContact O-N 3.42Å; K843-W846 PolarHBondContact O-N 3.03Å; E844-W846 PolarHBondContact O-N 2.69Å; E844-W846 VanDerWaalsContact O-N 3.17Å
847	L	77.9	Confident	80.9	Confident	121 Å²	121	85.7 Å²	85.7	63%	0.634	41%	0.412	S	S	*	.	H	α-helix	trans	-80.4	-43.5	179.6	-68.7	168	0	0	0	113.4	K843 E844	K843-L847 WeakPolarHBondContact O-CG 3.42Å; K843-L847 PolarHBondContact O-N 2.88Å; K843-L847 VanDerWaalsContact O-N 3.09Å; E844-L847 PolarHBondContact O-N 2.69Å
848	S	72.5	Confident	80.9	Confident	64 Å²	64	86.3 Å²	86.3	45%	0.448	42%	0.416	S	S	.	.	H	α-helix	trans	-98.2	-2.4	-173.1	70.6	0	0	0	0	114.7	E844 V850	E844-S848 PolarHBondContact O-N 2.96Å; E844-S848 PolarHBondContact O-OG 3Å; S848-V850 PolarHBondContact O-N 2.9Å; S848-V850 VanDerWaalsContact O-N 3.16Å
849	W	72.3	Confident	80.9	Confident	149 Å²	149	88 Å²	88	56%	0.564	42%	0.42	S	S	*	.			trans	61.5	13.1	-177.5	-58.4	90.7	0	0	0	115.7	R102 R845	R102-W849 VanDerWaalsContact CD-CH2 3.49Å; R102-W849 HydrophobicContact CG-CH2 3.75Å; R102-W849 HydrophobicContact CG-CZ2 3.84Å; R845-W849 PolarHBondContact O-N 2.97Å
850	V	77.5	Confident	81.2	Confident	70 Å²	70	88.6 Å²	88.6	42%	0.424	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-82.5	136.6	178.4	-178.4	0	0	0	0	111	P840 R845 S848	P840-V850 HydrophobicContact CG-CB 4.1Å; P840-V850 HydrophobicContact CG-CG1 3.79Å; R845-V850 WeakPolarHBondContact CB-O 2.92Å; R845-V850 VanDerWaalsContact CG-O 3.27Å; R845-V850 WeakPolarHBondContact CG-O 3.16Å; S848-V850 PolarHBondContact O-N 2.9Å; S848-V850 VanDerWaalsContact O-N 3.16Å
851	N	77.9	Confident	81.4	Confident	138 Å²	138	89.1 Å²	89.1	74%	0.738	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-99.5	150.2	168.2	-75	-53.4	0	0	0	110.7
852	R	84.1	Confident	81.8	Confident	43 Å²	43	84.6 Å²	84.6	16%	0.162	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-71.3	144.4	172.3	-74.2	174	-176.5	-171.5	-14.2	110.8	V838 G839 P840 D841 Q856 N860	V838-R852 WeakPolarHBondContact O-CD 3.3Å; V838-R852 PolarHBondContact O-NE 2.98Å; G839-R852 PolarHBondContact O-NE 3.05Å; G839-R852 PolarHBondContact O-NH2 2.91Å; P840-R852 VanDerWaalsContact O-CZ 3.25Å; P840-R852 PolarHBondContact O-NE 3.37Å; P840-R852 PolarHBondContact O-NH2 3.06Å; D841-R852 IonicContact OD1-NH2 3.18Å; R852-Q856 HydrophobicContact CB-CB 4.09Å; R852-Q856 HydrophobicContact CG-CB 4.38Å; R852-N860 PolarHBondContact NH1-ND2 2.84Å; R852-N860 PolarHBondContact NH1-OD1 2.87Å
853	T	87	Confident	82.5	Confident	65 Å²	65	78.9 Å²	78.9	40%	0.399	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-68.3	159.8	168	69.4	0	0	0	0	110.5	E855 Q856 H857	T853-E855 PolarHBondContact O-N 3.46Å; T853-Q856 VanDerWaalsContact N-OE1 3.08Å; T853-Q856 PolarHBondContact O-N 3.26Å; T853-Q856 WeakPolarHBondContact OG1-CB 3.27Å; T853-Q856 WeakPolarHBondContact OG1-CG 3.32Å; T853-Q856 PolarHBondContact OG1-N 3.48Å; T853-H857 PolarHBondContact O-N 2.92Å
854	P	81.7	Confident	82.9	Confident	107 Å²	107	77.1 Å²	77.1	70%	0.695	37%	0.371	S	S	*	.	H	α-helix	trans	-57.7	-36.9	173.9	21.9	-33.5	0	0	0	112.3	H857 I858	P854-H857 WeakPolarHBondContact O-CB 3.5Å; P854-H857 PolarHBondContact O-N 3.46Å; P854-I858 WeakPolarHBondContact O-CG1 3.49Å; P854-I858 PolarHBondContact O-N 2.99Å
855	E	83.1	Confident	83.4	Confident	97 Å²	97	75 Å²	75	45%	0.453	36%	0.361	S	S	.	.	H	α-helix	trans	-66.6	-42.1	177.1	-163.9	-173.3	155.4	0	0	112.4	T853 H857 I858 R859	T853-E855 PolarHBondContact O-N 3.46Å; E855-H857 VanDerWaalsContact C-N 3.31Å; E855-H857 PolarHBondContact O-N 3.31Å; E855-I858 PolarHBondContact O-N 3.38Å; E855-R859 VanDerWaalsContact CD-NH1 3.35Å; E855-R859 PolarHBondContact O-N 2.93Å; E855-R859 IonicContact OE1-CZ 3.65Å; E855-R859 IonicContact OE1-NH1 3.6Å; E855-R859 PolarHBondContact OE1-NH1 2.93Å; E855-R859 IonicContact OE1-NH2 3.26Å; E855-R859 PolarHBondContact OE1-NH2 3.48Å
856	Q	86.3	Confident	83.9	Confident	36 Å²	36	70.6 Å²	70.6	17%	0.168	35%	0.345	C	S	.	.	H	α-helix	trans	-63.1	-35.8	171.3	-79.7	173.7	-21.8	0	0	111.9	D836 G839 R852 T853 R859 N860	D836-Q856 PolarHBondContact O-NE2 3.05Å; G839-Q856 VanDerWaalsContact CA-CD 3.45Å; R852-Q856 HydrophobicContact CB-CB 4.09Å; R852-Q856 HydrophobicContact CG-CB 4.38Å; T853-Q856 VanDerWaalsContact N-OE1 3.08Å; T853-Q856 PolarHBondContact O-N 3.26Å; T853-Q856 WeakPolarHBondContact OG1-CB 3.27Å; T853-Q856 WeakPolarHBondContact OG1-CG 3.32Å; T853-Q856 PolarHBondContact OG1-N 3.48Å; Q856-R859 PolarHBondContact O-N 3.21Å; Q856-N860 VanDerWaalsContact O-CB 3.3Å; Q856-N860 WeakPolarHBondContact O-CB 3.24Å; Q856-N860 PolarHBondContact O-N 2.65Å
857	H	85.6	Confident	84.5	Confident	103 Å²	103	63.6 Å²	63.6	48%	0.477	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-44.1	174.3	-173.6	12.2	0	0	0	111.8	T853 P854 E855 N860 E861	T853-H857 PolarHBondContact O-N 2.92Å; P854-H857 WeakPolarHBondContact O-CB 3.5Å; P854-H857 PolarHBondContact O-N 3.46Å; E855-H857 VanDerWaalsContact C-N 3.31Å; E855-H857 PolarHBondContact O-N 3.31Å; H857-N860 WeakPolarHBondContact O-CB 3.33Å; H857-N860 PolarHBondContact O-N 3.12Å; H857-E861 IonicContact CE1-OE1 3.16Å; H857-E861 IonicContact ND1-OE1 3.83Å; H857-E861 PolarHBondContact O-N 3.37Å
858	I	87.4	Confident	85	Confident	51 Å²	51	64 Å²	64	26%	0.262	31%	0.314	S	S	.	.	H	α-helix	trans	-60.5	-48.8	174.7	-68	162.4	0	0	0	110.6	P854 E855 N860 E861 T862 V897 V899 L903	P854-I858 WeakPolarHBondContact O-CG1 3.49Å; P854-I858 PolarHBondContact O-N 2.99Å; E855-I858 PolarHBondContact O-N 3.38Å; I858-N860 VanDerWaalsContact C-N 3.27Å; I858-N860 PolarHBondContact O-N 2.68Å; I858-E861 PolarHBondContact O-N 3.35Å; I858-T862 WeakPolarHBondContact O-CB 3.39Å; I858-T862 PolarHBondContact O-N 3.13Å; I858-T862 PolarHBondContact O-OG1 3.21Å; I858-V897 HydrophobicContact CB-CG1 4.38Å; I858-V897 HydrophobicContact CG1-CG1 3.97Å; I858-V897 HydrophobicContact CG2-CG1 4.26Å; I858-V899 HydrophobicContact CG2-CG1 4.05Å; I858-V899 HydrophobicContact CG2-CG2 3.84Å; I858-L903 HydrophobicContact CG2-CD1 4.32Å; I858-L903 HydrophobicContact CG2-CD2 4.23Å
859	R	87.8	Confident	85.6	Confident	47 Å²	47	62.3 Å²	62.3	18%	0.177	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-33.5	175.5	-73.4	-165.6	-178.8	101.1	10.8	112.6	M837 E855 Q856 K863 L903 T907	M837-R859 WeakPolarHBondContact O-CB 3.47Å; M837-R859 VanDerWaalsContact O-CD 3.3Å; M837-R859 WeakPolarHBondContact O-CD 3.29Å; E855-R859 VanDerWaalsContact CD-NH1 3.35Å; E855-R859 PolarHBondContact O-N 2.93Å; E855-R859 IonicContact OE1-CZ 3.65Å; E855-R859 IonicContact OE1-NH1 3.6Å; E855-R859 PolarHBondContact OE1-NH1 2.93Å; E855-R859 IonicContact OE1-NH2 3.26Å; E855-R859 PolarHBondContact OE1-NH2 3.48Å; Q856-R859 PolarHBondContact O-N 3.21Å; R859-K863 VanDerWaalsContact O-CB 3.24Å; R859-K863 WeakPolarHBondContact O-CB 3.25Å; R859-K863 PolarHBondContact O-N 3.09Å; R859-L903 HydrophobicContact CG-CD1 4.27Å; R859-L903 HydrophobicContact CG-CD2 3.89Å; R859-L903 HydrophobicContact CG-CG 4.26Å; R859-T907 HydrophobicContact CB-CG2 4.18Å; R859-T907 HydrophobicContact CG-CG2 3.81Å
860	N	89.7	Confident	86.3	Confident	18 Å²	18	55.5 Å²	55.5	10%	0.096	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-44.5	175.9	-176.1	85.3	0	0	0	113.6	V838 R852 Q856 H857 I858 K863 K864	V838-N860 HydrophobicContact CG1-CB 3.84Å; V838-N860 VanDerWaalsContact CG1-OD1 3.26Å; V838-N860 WeakPolarHBondContact CG1-OD1 3.15Å; R852-N860 PolarHBondContact NH1-ND2 2.84Å; R852-N860 PolarHBondContact NH1-OD1 2.87Å; Q856-N860 VanDerWaalsContact O-CB 3.3Å; Q856-N860 WeakPolarHBondContact O-CB 3.24Å; Q856-N860 PolarHBondContact O-N 2.65Å; H857-N860 WeakPolarHBondContact O-CB 3.33Å; H857-N860 PolarHBondContact O-N 3.12Å; I858-N860 VanDerWaalsContact C-N 3.27Å; I858-N860 PolarHBondContact O-N 2.68Å; N860-K863 PolarHBondContact O-N 3.35Å; N860-K864 WeakPolarHBondContact ND2-CE 3.33Å; N860-K864 PolarHBondContact ND2-NZ 3.45Å; N860-K864 WeakPolarHBondContact O-CG 3.42Å; N860-K864 PolarHBondContact O-N 3.48Å
861	E	87.8	Confident	86.6	Confident	33 Å²	33	60.6 Å²	60.6	15%	0.154	29%	0.29	C	S	.	.	H	α-helix	trans	-71.7	-35.4	176.9	-57.3	-44.2	119.2	0	0	111.6	H857 I858 K864 E865 L892 V897	H857-E861 IonicContact CE1-OE1 3.16Å; H857-E861 IonicContact ND1-OE1 3.83Å; H857-E861 PolarHBondContact O-N 3.37Å; I858-E861 PolarHBondContact O-N 3.35Å; E861-K864 PolarHBondContact O-N 3.32Å; E861-K864 IonicContact OE1-NZ 3.47Å; E861-K864 PolarHBondContact OE1-NZ 3.14Å; E861-K864 WeakPolarHBondContact OE2-CD 3.26Å; E861-K864 IonicContact OE2-NZ 2.69Å; E861-K864 PolarHBondContact OE2-NZ 2.96Å; E861-E865 PolarHBondContact O-N 2.64Å; E861-L892 HydrophobicContact CB-CD2 4.16Å; E861-L892 WeakPolarHBondContact O-CD2 3.41Å; E861-V897 HydrophobicContact CB-CG2 4.46Å; E861-V897 HydrophobicContact CG-CG2 4.4Å
862	T	88.9	Confident	86.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-50.3	170.7	-51.4	0	0	0	0	110.6	I858 K864 E865 L866 L892 L903 I904 T907	I858-T862 WeakPolarHBondContact O-CB 3.39Å; I858-T862 PolarHBondContact O-N 3.13Å; I858-T862 PolarHBondContact O-OG1 3.21Å; T862-K864 VanDerWaalsContact C-N 3.35Å; T862-K864 PolarHBondContact O-N 2.87Å; T862-E865 PolarHBondContact O-N 3.16Å; T862-E865 VanDerWaalsContact O-N 3.1Å; T862-L866 HydrophobicContact CG2-CD1 3.98Å; T862-L866 HydrophobicContact CG2-CG 4.41Å; T862-L866 WeakPolarHBondContact O-CG 3.49Å; T862-L866 PolarHBondContact O-N 3.44Å; T862-L892 HydrophobicContact CG2-CD1 4.11Å; T862-L903 HydrophobicContact CG2-CD2 4.43Å; T862-I904 HydrophobicContact CG2-CG1 4.1Å; T862-T907 WeakPolarHBondContact CG2-OG1 3.19Å
863	K	91.1	Very high	86.6	Confident	51 Å²	51	63.8 Å²	63.8	22%	0.222	31%	0.306	C	S	.	.	H	α-helix	trans	-53	-48.4	174.4	168.5	173.1	-179.7	-179.8	0	112.3	I834 V838 R859 N860 E865 L866 D867 L911	I834-K863 HydrophobicContact CG2-CD 4.26Å; V838-K863 HydrophobicContact CG1-CD 4.47Å; V838-K863 HydrophobicContact CG2-CB 4.38Å; V838-K863 HydrophobicContact CG2-CD 3.81Å; R859-K863 VanDerWaalsContact O-CB 3.24Å; R859-K863 WeakPolarHBondContact O-CB 3.25Å; R859-K863 PolarHBondContact O-N 3.09Å; N860-K863 PolarHBondContact O-N 3.35Å; K863-E865 PolarHBondContact O-N 3.43Å; K863-L866 PolarHBondContact O-N 2.7Å; K863-D867 WeakPolarHBondContact CE-OD2 3.18Å; K863-D867 WeakPolarHBondContact CG-OD2 2.83Å; K863-D867 VanDerWaalsContact O-CB 3.3Å; K863-D867 WeakPolarHBondContact O-CB 3.29Å; K863-D867 PolarHBondContact O-N 2.72Å; K863-L911 HydrophobicContact CB-CD1 3.93Å; K863-L911 HydrophobicContact CD-CD2 3.79Å; K863-L911 HydrophobicContact CG-CD1 3.87Å; K863-L911 HydrophobicContact CG-CD2 3.76Å; K863-L911 HydrophobicContact CG-CG 4.47Å
864	K	89.2	Confident	85.8	Confident	95 Å²	95	64.8 Å²	64.8	41%	0.413	31%	0.309	S	S	.	.	H	α-helix	trans	-59.3	-28.2	-179.9	-79.3	160.4	159.4	177	0	113.9	N860 E861 T862 R868	N860-K864 WeakPolarHBondContact ND2-CE 3.33Å; N860-K864 PolarHBondContact ND2-NZ 3.45Å; N860-K864 WeakPolarHBondContact O-CG 3.42Å; N860-K864 PolarHBondContact O-N 3.48Å; E861-K864 PolarHBondContact O-N 3.32Å; E861-K864 IonicContact OE1-NZ 3.47Å; E861-K864 PolarHBondContact OE1-NZ 3.14Å; E861-K864 WeakPolarHBondContact OE2-CD 3.26Å; E861-K864 IonicContact OE2-NZ 2.69Å; E861-K864 PolarHBondContact OE2-NZ 2.96Å; T862-K864 VanDerWaalsContact C-N 3.35Å; T862-K864 PolarHBondContact O-N 2.87Å; K864-R868 WeakPolarHBondContact O-CD 3.44Å; K864-R868 VanDerWaalsContact O-CG 3.31Å; K864-R868 WeakPolarHBondContact O-CG 3.18Å; K864-R868 PolarHBondContact O-NE 2.84Å
865	E	89.6	Confident	85.3	Confident	16 Å²	16	66.3 Å²	66.3	8%	0.075	31%	0.311	C	S	.	.	H	α-helix	trans	-84.6	-40.9	176.6	-160.4	71.4	160.7	0	0	111.5	E861 T862 K863 R868 L869 V888 N891 L892 R895	E861-E865 PolarHBondContact O-N 2.64Å; T862-E865 PolarHBondContact O-N 3.16Å; T862-E865 VanDerWaalsContact O-N 3.1Å; K863-E865 PolarHBondContact O-N 3.43Å; E865-R868 WeakPolarHBondContact O-CB 3.5Å; E865-R868 PolarHBondContact O-N 2.8Å; E865-R868 VanDerWaalsContact O-N 3.08Å; E865-R868 WeakPolarHBondContact OE2-CD 3.33Å; E865-R868 IonicContact OE2-CZ 2.91Å; E865-R868 IonicContact OE2-NE 2.58Å; E865-R868 IonicContact OE2-NH1 2.72Å; E865-R868 PolarHBondContact OE2-NH1 2.77Å; E865-L869 PolarHBondContact O-N 3.13Å; E865-L869 VanDerWaalsContact O-N 3.15Å; E865-V888 HydrophobicContact CG-CG1 4.45Å; E865-N891 HydrophobicContact CG-CB 4.38Å; E865-N891 WeakPolarHBondContact OE1-CB 3.48Å; E865-N891 PolarHBondContact OE1-ND2 2.94Å; E865-L892 HydrophobicContact CB-CD2 4.43Å; E865-R895 IonicContact OE1-CZ 2.7Å; E865-R895 IonicContact OE1-NH1 3.22Å; E865-R895 IonicContact OE1-NH2 2.97Å; E865-R895 PolarHBondContact OE1-NH2 3.05Å; E865-R895 IonicContact OE2-CZ 2.71Å; E865-R895 VanDerWaalsContact OE2-CZ 3.24Å; E865-R895 IonicContact OE2-NH1 3.11Å; E865-R895 PolarHBondContact OE2-NH1 3.09Å; E865-R895 IonicContact OE2-NH2 3.75Å; E865-R895 PolarHBondContact OE2-NH2 3.48Å
866	L	89.3	Confident	85.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.9	-38.6	176	-63.2	-179.1	0	0	0	112.8	T862 K863 R868 L869 L870 L880 V888 I904 W908 L911	T862-L866 HydrophobicContact CG2-CD1 3.98Å; T862-L866 HydrophobicContact CG2-CG 4.41Å; T862-L866 WeakPolarHBondContact O-CG 3.49Å; T862-L866 PolarHBondContact O-N 3.44Å; K863-L866 PolarHBondContact O-N 2.7Å; L866-R868 PolarHBondContact O-N 3.12Å; L866-L869 PolarHBondContact O-N 2.97Å; L866-L869 VanDerWaalsContact O-N 3.12Å; L866-L870 PolarHBondContact O-N 3.41Å; L866-L880 HydrophobicContact CD2-CD1 4Å; L866-V888 HydrophobicContact CD2-CB 4.4Å; L866-V888 HydrophobicContact CD2-CG1 3.85Å; L866-V888 HydrophobicContact CD2-CG2 3.78Å; L866-V888 HydrophobicContact CG-CG1 4.46Å; L866-I904 HydrophobicContact CD1-CG2 4.49Å; L866-I904 HydrophobicContact CD2-CG2 4.36Å; L866-W908 HydrophobicContact CB-CE3 4.04Å; L866-W908 HydrophobicContact CB-CZ3 4.36Å; L866-W908 HydrophobicContact CD1-CB 4Å; L866-W908 HydrophobicContact CD1-CE3 4.25Å; L866-W908 HydrophobicContact CD2-CE3 3.85Å; L866-W908 HydrophobicContact CD2-CZ3 4.36Å; L866-W908 HydrophobicContact CG-CE3 4.25Å; L866-L911 HydrophobicContact CB-CD1 3.83Å; L866-L911 HydrophobicContact CD1-CD1 4.12Å
867	D	88.9	Confident	84.9	Confident	31 Å²	31	64.7 Å²	64.7	17%	0.166	31%	0.309	C	S	.	.	H	α-helix	trans	-65.2	-11.8	171.4	-80.9	-29.7	0	0	0	112.7	K863 K871 R914	K863-D867 WeakPolarHBondContact CE-OD2 3.18Å; K863-D867 WeakPolarHBondContact CG-OD2 2.83Å; K863-D867 VanDerWaalsContact O-CB 3.3Å; K863-D867 WeakPolarHBondContact O-CB 3.29Å; K863-D867 PolarHBondContact O-N 2.72Å; D867-K871 VanDerWaalsContact O-CD 3.31Å; D867-K871 WeakPolarHBondContact O-CD 3.47Å; D867-K871 VanDerWaalsContact O-CG 3.25Å; D867-K871 WeakPolarHBondContact O-CG 3.47Å; D867-R914 IonicContact OD1-CZ 2.81Å; D867-R914 IonicContact OD1-NH2 3.6Å; D867-R914 PolarHBondContact OD1-NH2 2.81Å
868	R	86.8	Confident	84.6	Confident	131 Å²	131	60.3 Å²	60.3	49%	0.494	29%	0.29	S	S	.	.	H	α-helix	trans	-89.2	-40.5	168.4	-66.8	163.6	-177.9	-174.5	-7	111.4	K864 E865 L866 K871 L872	K864-R868 WeakPolarHBondContact O-CD 3.44Å; K864-R868 VanDerWaalsContact O-CG 3.31Å; K864-R868 WeakPolarHBondContact O-CG 3.18Å; K864-R868 PolarHBondContact O-NE 2.84Å; E865-R868 WeakPolarHBondContact O-CB 3.5Å; E865-R868 PolarHBondContact O-N 2.8Å; E865-R868 VanDerWaalsContact O-N 3.08Å; E865-R868 WeakPolarHBondContact OE2-CD 3.33Å; E865-R868 IonicContact OE2-CZ 2.91Å; E865-R868 IonicContact OE2-NE 2.58Å; E865-R868 IonicContact OE2-NH1 2.72Å; E865-R868 PolarHBondContact OE2-NH1 2.77Å; L866-R868 PolarHBondContact O-N 3.12Å; R868-K871 PolarHBondContact O-N 2.75Å; R868-L872 WeakPolarHBondContact O-CG 3.13Å; R868-L872 PolarHBondContact O-N 2.85Å; R868-L872 VanDerWaalsContact O-N 3.16Å
869	L	86.4	Confident	84.4	Confident	28 Å²	28	66.4 Å²	66.4	15%	0.147	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-47.8	177	-160.5	162	0	0	0	110.3	E865 L866 K871 L872 H873 H876 L880 V888 W908	E865-L869 PolarHBondContact O-N 3.13Å; E865-L869 VanDerWaalsContact O-N 3.15Å; L866-L869 PolarHBondContact O-N 2.97Å; L866-L869 VanDerWaalsContact O-N 3.12Å; L869-K871 PolarHBondContact O-N 3.38Å; L869-L872 PolarHBondContact O-N 3.23Å; L869-H873 PolarHBondContact O-N 3.03Å; L869-H873 VanDerWaalsContact O-N 3.08Å; L869-H876 WeakPolarHBondContact CD2-CD2 3.48Å; L869-H876 WeakPolarHBondContact CD2-NE2 3.42Å; L869-L880 HydrophobicContact CD1-CD2 4.04Å; L869-L880 HydrophobicContact CD2-CD2 4.49Å; L869-V888 HydrophobicContact CD1-CG2 4.04Å; L869-W908 HydrophobicContact CB-CZ3 4.49Å; L869-W908 HydrophobicContact CD2-CH2 3.96Å; L869-W908 HydrophobicContact CD2-CZ3 4.15Å
870	L	85.5	Confident	84.3	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-58.7	-29.2	172.9	-73.6	166.8	0	0	0	114	L866 H873 W908 L911 Y912 H915	L866-L870 PolarHBondContact O-N 3.41Å; L870-H873 CarbonylContact O-C 3.57Å; L870-W908 HydrophobicContact CD1-CH2 4.39Å; L870-W908 HydrophobicContact CD1-CZ3 4.17Å; L870-W908 HydrophobicContact CD2-CH2 3.35Å; L870-W908 HydrophobicContact CD2-CZ2 3.93Å; L870-W908 HydrophobicContact CD2-CZ3 3.96Å; L870-W908 HydrophobicContact CG-CH2 3.59Å; L870-W908 HydrophobicContact CG-CZ3 3.65Å; L870-L911 HydrophobicContact CD1-CB 4.17Å; L870-Y912 HydrophobicContact CD2-CD2 4.21Å; L870-H915 HydrophobicContact CD1-CB 4.27Å; L870-H915 HydrophobicContact CD2-CB 4.41Å
871	K	83.8	Confident	84.2	Confident	177 Å²	177	66.2 Å²	66.2	77%	0.77	32%	0.32	S	S	*	.	H	α-helix	trans	-82.9	-12.6	177.7	-74.3	178.7	-176.1	-172.2	0	114	D867 R868 L869	D867-K871 VanDerWaalsContact O-CD 3.31Å; D867-K871 WeakPolarHBondContact O-CD 3.47Å; D867-K871 VanDerWaalsContact O-CG 3.25Å; D867-K871 WeakPolarHBondContact O-CG 3.47Å; R868-K871 PolarHBondContact O-N 2.75Å; L869-K871 PolarHBondContact O-N 3.38Å
872	L	83.3	Confident	84	Confident	137 Å²	137	68.8 Å²	68.8	72%	0.717	34%	0.342	S	S	*	.	H	α-helix	trans	-96.2	-26.6	174.2	-66.9	168.3	0	0	0	111.4	R868 L869	R868-L872 WeakPolarHBondContact O-CG 3.13Å; R868-L872 PolarHBondContact O-N 2.85Å; R868-L872 VanDerWaalsContact O-N 3.16Å; L869-L872 PolarHBondContact O-N 3.23Å
873	H	79	Confident	83.8	Confident	111 Å²	111	73.9 Å²	73.9	51%	0.514	37%	0.369	S	S	.	.			trans	-133.8	89.2	-179.1	-59	-68.3	0	0	0	110.4	L869 L870 D875 H876	L869-H873 PolarHBondContact O-N 3.03Å; L869-H873 VanDerWaalsContact O-N 3.08Å; L870-H873 CarbonylContact O-C 3.57Å; H873-D875 VanDerWaalsContact C-N 3.25Å; H873-D875 PolarHBondContact O-N 2.91Å; H873-H876 PolarHBondContact O-N 2.63Å
874	D	71.2	Confident	83.6	Confident	86 Å²	86	74 Å²	74	46%	0.46	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.7	-177.1	-164.1	69.2	0	0	0	113.6	H915 K919	D874-H915 PolarHBondContact O-CE1 3.25Å; D874-H915 VanDerWaalsContact O-CE1 3.3Å; D874-H915 IonicContact OD1-CD2 2.71Å; D874-H915 IonicContact OD1-CE1 3.59Å; D874-H915 IonicContact OD1-NE2 2.77Å; D874-H915 PolarHBondContact OD1-NE2 3.11Å; D874-K919 PolarHBondContact O-NZ 3Å; D874-K919 IonicContact OD2-NZ 2.71Å; D874-K919 PolarHBondContact OD2-NZ 3.07Å
875	D	70.3	Confident	83.6	Confident	140 Å²	140	69.9 Å²	69.9	75%	0.749	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	32.1	175.7	-58.6	-52.2	0	0	0	112.2	H873 K919	H873-D875 VanDerWaalsContact C-N 3.25Å; H873-D875 PolarHBondContact O-N 2.91Å; D875-K919 IonicContact OD1-NZ 3.67Å; D875-K919 PolarHBondContact OD1-NZ 3.22Å
876	H	81.6	Confident	83.4	Confident	22 Å²	22	72.1 Å²	72.1	10%	0.102	37%	0.368	C	S	.	.			trans	-63.7	150	176.8	-155.3	-70	0	0	0	112.1	L869 H873 E884 W908 Y912	L869-H876 WeakPolarHBondContact CD2-CD2 3.48Å; L869-H876 WeakPolarHBondContact CD2-NE2 3.42Å; H873-H876 PolarHBondContact O-N 2.63Å; H876-E884 IonicContact CE1-OE2 2.69Å; H876-E884 IonicContact NE2-OE1 3.73Å; H876-E884 PolarHBondContact NE2-OE1 3.47Å; H876-E884 IonicContact NE2-OE2 2.69Å; H876-W908 HydrophobicContact CB-CH2 4.39Å; H876-W908 HydrophobicContact CB-CZ2 4.28Å; H876-W908 AromaticContact CD2-CH2 3.97Å; H876-W908 AromaticContact CE1-CZ2 3.61Å; H876-W908 AromaticContact CG-CH2 3.85Å; H876-W908 AromaticContact CG-CZ2 3.69Å; H876-W908 AromaticContact ND1-CH2 3.89Å; H876-W908 AromaticContact ND1-CZ2 3.31Å; H876-W908 VanDerWaalsContact ND1-CZ2 3.31Å; H876-W908 WeakPolarHBondContact ND1-CZ2 3.47Å; H876-Y912 WeakPolarHBondContact O-CE2 3.38Å; H876-Y912 PolarHBondContact O-OH 3.45Å
877	T	80.3	Confident	83.4	Confident	77 Å²	77	75.8 Å²	75.8	47%	0.472	39%	0.391	S	S	.	.			trans	-78.1	165.3	172	88.2	0	0	0	0	111.9	Y879 Y912	T877-Y879 PolarHBondContact O-N 2.84Å; T877-Y879 VanDerWaalsContact O-N 3.09Å; T877-Y879 PolarHBondContact OG1-N 2.96Å; T877-Y879 PolarHBondContact OG1-O 3.47Å; T877-Y879 VanDerWaalsContact OG1-O 3.07Å; T877-Y912 WeakPolarHBondContact O-CE2 3.27Å
878	A	79.5	Confident	83.3	Confident	10 Å²	10	74.6 Å²	74.6	8%	0.083	38%	0.384	C	S	.	.	S	Bend	trans	-62.4	-14.9	176.5	0	0	0	0	0	114.9	W908 Y912	A878-W908 PolarHBondContact O-NE1 3.06Å; A878-W908 VanDerWaalsContact O-NE1 3.07Å; A878-Y912 VanDerWaalsContact CA-CE1 3.44Å; A878-Y912 HydrophobicContact CB-CD1 3.78Å; A878-Y912 HydrophobicContact CB-CE1 3.51Å
879	Y	83.4	Confident	83.4	Confident	180 Å²	180	72 Å²	72	71%	0.706	38%	0.375	S	S	*	.	S	Bend	trans	-115.7	131.7	-175.8	-55.3	-82.5	0	0	0	111.1	T877	T877-Y879 PolarHBondContact O-N 2.84Å; T877-Y879 VanDerWaalsContact O-N 3.09Å; T877-Y879 PolarHBondContact OG1-N 2.96Å; T877-Y879 PolarHBondContact OG1-O 3.47Å; T877-Y879 VanDerWaalsContact OG1-O 3.07Å
880	L	85.3	Confident	83.4	Confident	15 Å²	15	77 Å²	77	8%	0.079	40%	0.395	C	S	.	.			trans	-75.9	134.9	165.7	-70.8	168.4	0	0	0	110.5	L866 L869 E884 V885 I904 W908	L866-L880 HydrophobicContact CD2-CD1 4Å; L869-L880 HydrophobicContact CD1-CD2 4.04Å; L869-L880 HydrophobicContact CD2-CD2 4.49Å; L880-E884 WeakPolarHBondContact CA-OE2 3.42Å; L880-E884 HydrophobicContact CD2-CB 4.13Å; L880-V885 HydrophobicContact CB-CG2 3.56Å; L880-V885 HydrophobicContact CD1-CG2 3.97Å; L880-V885 HydrophobicContact CG-CG2 4.42Å; L880-I904 HydrophobicContact CD1-CG2 4.08Å; L880-W908 HydrophobicContact CD1-CB 3.63Å; L880-W908 HydrophobicContact CD1-CD2 3.73Å; L880-W908 HydrophobicContact CD1-CE3 3.95Å; L880-W908 HydrophobicContact CD1-CG 3.57Å; L880-W908 HydrophobicContact CD2-CD2 3.83Å; L880-W908 HydrophobicContact CD2-CE3 3.87Å; L880-W908 HydrophobicContact CD2-CG 4.42Å; L880-W908 HydrophobicContact CD2-CH2 4.11Å; L880-W908 HydrophobicContact CD2-CZ2 4.15Å; L880-W908 HydrophobicContact CD2-CZ3 3.99Å; L880-W908 HydrophobicContact CG-CB 4.22Å; L880-W908 HydrophobicContact CG-CD2 3.53Å; L880-W908 HydrophobicContact CG-CE3 4Å; L880-W908 HydrophobicContact CG-CG 3.6Å; L880-W908 HydrophobicContact CG-CZ2 4.48Å
881	A	86.4	Confident	83.6	Confident	45 Å²	45	80.1 Å²	80.1	37%	0.372	41%	0.412	S	S	.	.			trans	-68.5	160.8	169.3	0	0	0	0	0	111.4	D883 E884 V885	A881-D883 VanDerWaalsContact C-N 3.34Å; A881-D883 WeakPolarHBondContact CB-OD1 3.3Å; A881-D883 PolarHBondContact O-N 3.01Å; A881-E884 HydrophobicContact CB-CG 4.08Å; A881-E884 PolarHBondContact N-OE2 3.26Å; A881-E884 WeakPolarHBondContact O-CB 3.4Å; A881-E884 PolarHBondContact O-N 3.33Å; A881-V885 WeakPolarHBondContact O-CG2 3.06Å; A881-V885 PolarHBondContact O-N 3.22Å
882	S	84.3	Confident	83.8	Confident	87 Å²	87	71.7 Å²	71.7	61%	0.608	38%	0.375	S	S	*	.	H	α-helix	trans	-74.3	-26.8	-168.7	-63.3	0	0	0	0	113.3	T886	S882-T886 WeakPolarHBondContact O-CB 3.27Å; S882-T886 PolarHBondContact O-N 2.98Å; S882-T886 VanDerWaalsContact O-N 3.14Å; S882-T886 PolarHBondContact O-OG1 2.94Å
883	D	85.6	Confident	84	Confident	108 Å²	108	69.3 Å²	69.3	58%	0.578	36%	0.36	S	S	*	.	H	α-helix	trans	-72	-39.4	168.9	56	-31.1	0	0	0	112.3	A881 T886 T887	A881-D883 VanDerWaalsContact C-N 3.34Å; A881-D883 WeakPolarHBondContact CB-OD1 3.3Å; A881-D883 PolarHBondContact O-N 3.01Å; D883-T886 CarbonylContact O-C 3.58Å; D883-T886 PolarHBondContact O-N 3.42Å; D883-T887 WeakPolarHBondContact O-CB 3.38Å; D883-T887 PolarHBondContact O-N 2.93Å; D883-T887 PolarHBondContact O-OG1 2.86Å
884	E	86.5	Confident	84.3	Confident	54 Å²	54	67.4 Å²	67.4	25%	0.252	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-49.4	172.8	-63.3	176.1	145.2	0	0	111.4	H876 L880 A881 T886 T887 V888	H876-E884 IonicContact CE1-OE2 2.69Å; H876-E884 IonicContact NE2-OE1 3.73Å; H876-E884 PolarHBondContact NE2-OE1 3.47Å; H876-E884 IonicContact NE2-OE2 2.69Å; L880-E884 WeakPolarHBondContact CA-OE2 3.42Å; L880-E884 HydrophobicContact CD2-CB 4.13Å; A881-E884 HydrophobicContact CB-CG 4.08Å; A881-E884 PolarHBondContact N-OE2 3.26Å; A881-E884 WeakPolarHBondContact O-CB 3.4Å; A881-E884 PolarHBondContact O-N 3.33Å; E884-T886 VanDerWaalsContact C-N 3.25Å; E884-T886 PolarHBondContact O-N 3.12Å; E884-T887 WeakPolarHBondContact O-CB 3.4Å; E884-T887 PolarHBondContact O-N 3.42Å; E884-V888 WeakPolarHBondContact O-CG2 3.48Å; E884-V888 PolarHBondContact O-N 2.83Å
885	V	88.3	Confident	84.8	Confident	7 Å²	7	68.8 Å²	68.8	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-58.7	-39.1	174.9	177.2	0	0	0	0	111.2	L880 A881 T887 R889 P901 I904 K905	L880-V885 HydrophobicContact CB-CG2 3.56Å; L880-V885 HydrophobicContact CD1-CG2 3.97Å; L880-V885 HydrophobicContact CG-CG2 4.42Å; A881-V885 WeakPolarHBondContact O-CG2 3.06Å; A881-V885 PolarHBondContact O-N 3.22Å; V885-T887 VanDerWaalsContact C-N 3.34Å; V885-R889 VanDerWaalsContact O-CB 3.31Å; V885-R889 WeakPolarHBondContact O-CB 3.26Å; V885-R889 PolarHBondContact O-N 3.32Å; V885-P901 HydrophobicContact CG1-CB 3.78Å; V885-I904 HydrophobicContact CG1-CB 4.26Å; V885-I904 HydrophobicContact CG1-CD1 4.26Å; V885-I904 HydrophobicContact CG1-CG2 4.15Å; V885-K905 HydrophobicContact CG2-CG 4.16Å
886	T	86.5	Confident	85.4	Confident	64 Å²	64	65.4 Å²	65.4	39%	0.393	37%	0.368	S	S	.	.	H	α-helix	trans	-67.2	-34.4	175.9	-61.1	0	0	0	0	112.2	S882 D883 E884 K890	S882-T886 WeakPolarHBondContact O-CB 3.27Å; S882-T886 PolarHBondContact O-N 2.98Å; S882-T886 VanDerWaalsContact O-N 3.14Å; S882-T886 PolarHBondContact O-OG1 2.94Å; D883-T886 CarbonylContact O-C 3.58Å; D883-T886 PolarHBondContact O-N 3.42Å; E884-T886 VanDerWaalsContact C-N 3.25Å; E884-T886 PolarHBondContact O-N 3.12Å; T886-K890 HydrophobicContact CG2-CD 4.37Å; T886-K890 WeakPolarHBondContact O-CG 3.26Å; T886-K890 PolarHBondContact O-N 2.84Å; T886-K890 VanDerWaalsContact O-N 3.07Å
887	T	88.1	Confident	85.5	Confident	77 Å²	77	65.4 Å²	65.4	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-73.3	-46.4	178.4	-58.9	0	0	0	0	111.2	D883 E884 V885 R889 K890 N891	D883-T887 WeakPolarHBondContact O-CB 3.38Å; D883-T887 PolarHBondContact O-N 2.93Å; D883-T887 PolarHBondContact O-OG1 2.86Å; E884-T887 WeakPolarHBondContact O-CB 3.4Å; E884-T887 PolarHBondContact O-N 3.42Å; V885-T887 VanDerWaalsContact C-N 3.34Å; T887-R889 VanDerWaalsContact C-N 3.33Å; T887-R889 PolarHBondContact O-N 3.44Å; T887-K890 PolarHBondContact O-N 3.19Å; T887-N891 PolarHBondContact O-N 2.83Å; T887-N891 PolarHBondContact O-OD1 2.87Å
888	V	87.2	Confident	85.7	Confident	5 Å²	5	69.8 Å²	69.8	3%	0.03	38%	0.384	C	S	.	.	H	α-helix	trans	-58.5	-45	173.6	173.2	0	0	0	0	110.6	E865 L866 L869 E884 N891 L892 I904	E865-V888 HydrophobicContact CG-CG1 4.45Å; L866-V888 HydrophobicContact CD2-CB 4.4Å; L866-V888 HydrophobicContact CD2-CG1 3.85Å; L866-V888 HydrophobicContact CD2-CG2 3.78Å; L866-V888 HydrophobicContact CG-CG1 4.46Å; L869-V888 HydrophobicContact CD1-CG2 4.04Å; E884-V888 WeakPolarHBondContact O-CG2 3.48Å; E884-V888 PolarHBondContact O-N 2.83Å; V888-N891 PolarHBondContact O-N 3.34Å; V888-L892 HydrophobicContact CG1-CD1 3.79Å; V888-L892 WeakPolarHBondContact O-CD1 3.39Å; V888-L892 VanDerWaalsContact O-CG 3.27Å; V888-L892 WeakPolarHBondContact O-CG 3.42Å; V888-L892 PolarHBondContact O-N 2.87Å; V888-L892 VanDerWaalsContact O-N 3.1Å; V888-I904 HydrophobicContact CB-CG2 4.38Å; V888-I904 HydrophobicContact CG1-CD1 4.3Å; V888-I904 HydrophobicContact CG1-CG2 3.97Å
889	R	89.4	Confident	86	Confident	78 Å²	78	69.7 Å²	69.7	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-53.5	-55.4	172.4	163.9	175.2	-90.6	-168.1	-17.7	111.8	V885 T887 N891 L892 E893 V899 I904	V885-R889 VanDerWaalsContact O-CB 3.31Å; V885-R889 WeakPolarHBondContact O-CB 3.26Å; V885-R889 PolarHBondContact O-N 3.32Å; T887-R889 VanDerWaalsContact C-N 3.33Å; T887-R889 PolarHBondContact O-N 3.44Å; R889-N891 VanDerWaalsContact C-N 3.27Å; R889-N891 PolarHBondContact O-N 2.99Å; R889-L892 PolarHBondContact O-N 3.28Å; R889-E893 VanDerWaalsContact CD-OE1 3.25Å; R889-E893 WeakPolarHBondContact CD-OE1 3.2Å; R889-E893 VanDerWaalsContact CG-CD 3.47Å; R889-E893 HydrophobicContact CG-CG 4.2Å; R889-E893 WeakPolarHBondContact CG-OE1 3.43Å; R889-E893 IonicContact NE-OE1 3.56Å; R889-E893 WeakPolarHBondContact O-CG 3.32Å; R889-E893 PolarHBondContact O-N 3.28Å; R889-V899 PolarHBondContact NE-O 3.02Å; R889-V899 PolarHBondContact NH2-O 3.48Å; R889-I904 HydrophobicContact CB-CD1 3.89Å
890	K	86.7	Confident	86.1	Confident	132 Å²	132	65.3 Å²	65.3	57%	0.574	37%	0.371	S	S	*	.	H	α-helix	trans	-61.8	-34.2	-178	-74.8	174.5	179.6	178.3	0	112.9	T886 T887 L892 G894	T886-K890 HydrophobicContact CG2-CD 4.37Å; T886-K890 WeakPolarHBondContact O-CG 3.26Å; T886-K890 PolarHBondContact O-N 2.84Å; T886-K890 VanDerWaalsContact O-N 3.07Å; T887-K890 PolarHBondContact O-N 3.19Å; K890-L892 VanDerWaalsContact C-N 3.31Å; K890-L892 PolarHBondContact O-N 3.1Å; K890-G894 PolarHBondContact O-N 2.67Å
891	N	88.1	Confident	86.2	Confident	71 Å²	71	66.6 Å²	66.6	38%	0.38	38%	0.38	S	S	.	.	H	α-helix	trans	-69.3	-27.2	175	-74.2	7.8	0	0	0	113.3	E865 T887 V888 R889 R895	E865-N891 HydrophobicContact CG-CB 4.38Å; E865-N891 WeakPolarHBondContact OE1-CB 3.48Å; E865-N891 PolarHBondContact OE1-ND2 2.94Å; T887-N891 PolarHBondContact O-N 2.83Å; T887-N891 PolarHBondContact O-OD1 2.87Å; V888-N891 PolarHBondContact O-N 3.34Å; R889-N891 VanDerWaalsContact C-N 3.27Å; R889-N891 PolarHBondContact O-N 2.99Å; N891-R895 WeakPolarHBondContact O-CG 3.21Å; N891-R895 PolarHBondContact O-NE 3.36Å
892	L	88.9	Confident	86.2	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-83.8	-42.3	175.8	-66.4	164.9	0	0	0	111.1	E861 T862 E865 V888 R889 K890 G894 R895 G896 V897 V899	E861-L892 HydrophobicContact CB-CD2 4.16Å; E861-L892 WeakPolarHBondContact O-CD2 3.41Å; T862-L892 HydrophobicContact CG2-CD1 4.11Å; E865-L892 HydrophobicContact CB-CD2 4.43Å; V888-L892 HydrophobicContact CG1-CD1 3.79Å; V888-L892 WeakPolarHBondContact O-CD1 3.39Å; V888-L892 VanDerWaalsContact O-CG 3.27Å; V888-L892 WeakPolarHBondContact O-CG 3.42Å; V888-L892 PolarHBondContact O-N 2.87Å; V888-L892 VanDerWaalsContact O-N 3.1Å; R889-L892 PolarHBondContact O-N 3.28Å; K890-L892 VanDerWaalsContact C-N 3.31Å; K890-L892 PolarHBondContact O-N 3.1Å; L892-G894 VanDerWaalsContact C-N 3.3Å; L892-G894 PolarHBondContact O-N 2.88Å; L892-R895 CarbonylContact O-C 3.55Å; L892-R895 WeakPolarHBondContact O-CA 3.3Å; L892-R895 PolarHBondContact O-N 3.29Å; L892-G896 PolarHBondContact O-N 2.95Å; L892-V897 CarbonylContact C-O 3.56Å; L892-V897 HydrophobicContact CB-CB 4.42Å; L892-V897 PolarHBondContact O-N 2.98Å; L892-V899 HydrophobicContact CB-CG2 4.09Å; L892-V899 HydrophobicContact CD1-CG2 3.92Å
893	E	87.6	Confident	86.3	Confident	87 Å²	87	65.6 Å²	65.6	41%	0.407	37%	0.365	S	S	.	.	H	α-helix	trans	-55.8	-44.9	170.4	-71	167.4	175.9	0	0	110.7	R889 R895 G896 V897	R889-E893 VanDerWaalsContact CD-OE1 3.25Å; R889-E893 WeakPolarHBondContact CD-OE1 3.2Å; R889-E893 VanDerWaalsContact CG-CD 3.47Å; R889-E893 HydrophobicContact CG-CG 4.2Å; R889-E893 WeakPolarHBondContact CG-OE1 3.43Å; R889-E893 IonicContact NE-OE1 3.56Å; R889-E893 WeakPolarHBondContact O-CG 3.32Å; R889-E893 PolarHBondContact O-N 3.28Å; E893-R895 PolarHBondContact O-N 3.15Å; E893-G896 PolarHBondContact O-N 3.29Å; E893-V897 PolarHBondContact N-O 3.03Å
894	G	84.2	Confident	86.4	Confident	70 Å²	70	60.5 Å²	60.5	72%	0.722	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-6.7	173.7	0	0	0	0	0	115.5	K890 L892	K890-G894 PolarHBondContact O-N 2.67Å; L892-G894 VanDerWaalsContact C-N 3.3Å; L892-G894 PolarHBondContact O-N 2.88Å
895	R	83.6	Confident	86.5	Confident	115 Å²	115	62.6 Å²	62.6	43%	0.434	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	6.8	171.1	-65	175.2	-163.4	155.4	16.9	112.9	E865 N891 L892 E893	E865-R895 IonicContact OE1-CZ 2.7Å; E865-R895 IonicContact OE1-NH1 3.22Å; E865-R895 IonicContact OE1-NH2 2.97Å; E865-R895 PolarHBondContact OE1-NH2 3.05Å; E865-R895 IonicContact OE2-CZ 2.71Å; E865-R895 VanDerWaalsContact OE2-CZ 3.24Å; E865-R895 IonicContact OE2-NH1 3.11Å; E865-R895 PolarHBondContact OE2-NH1 3.09Å; E865-R895 IonicContact OE2-NH2 3.75Å; E865-R895 PolarHBondContact OE2-NH2 3.48Å; N891-R895 WeakPolarHBondContact O-CG 3.21Å; N891-R895 PolarHBondContact O-NE 3.36Å; L892-R895 CarbonylContact O-C 3.55Å; L892-R895 WeakPolarHBondContact O-CA 3.3Å; L892-R895 PolarHBondContact O-N 3.29Å; E893-R895 PolarHBondContact O-N 3.15Å
896	G	81.4	Confident	86.4	Confident	70 Å²	70	66.3 Å²	66.3	72%	0.722	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	25.5	-177.9	0	0	0	0	0	114.2	L892 E893	L892-G896 PolarHBondContact O-N 2.95Å; E893-G896 PolarHBondContact O-N 3.29Å
897	V	85.1	Confident	86.6	Confident	21 Å²	21	63.6 Å²	63.6	13%	0.127	35%	0.349	C	S	.	.			trans	-120.9	101	178.9	-170.9	0	0	0	0	109.2	I858 E861 L892 E893 V899	I858-V897 HydrophobicContact CB-CG1 4.38Å; I858-V897 HydrophobicContact CG1-CG1 3.97Å; I858-V897 HydrophobicContact CG2-CG1 4.26Å; E861-V897 HydrophobicContact CB-CG2 4.46Å; E861-V897 HydrophobicContact CG-CG2 4.4Å; L892-V897 CarbonylContact C-O 3.56Å; L892-V897 HydrophobicContact CB-CB 4.42Å; L892-V897 PolarHBondContact O-N 2.98Å; E893-V897 PolarHBondContact N-O 3.03Å; V897-V899 HydrophobicContact CG1-CG2 3.87Å
898	E	82.6	Confident	86.7	Confident	169 Å²	169	60.1 Å²	60.1	79%	0.79	33%	0.327	S	S	*	.			trans	-75.4	131.3	174	-65.8	-179.1	175.6	0	0	110.4
899	V	86	Confident	86.7	Confident	8 Å²	8	63.5 Å²	63.5	5%	0.048	34%	0.342	C	S	.	.			trans	-139.8	138.3	-174.1	-163.9	0	0	0	0	112	I858 R889 L892 V897 L903 I904	I858-V899 HydrophobicContact CG2-CG1 4.05Å; I858-V899 HydrophobicContact CG2-CG2 3.84Å; R889-V899 PolarHBondContact NE-O 3.02Å; R889-V899 PolarHBondContact NH2-O 3.48Å; L892-V899 HydrophobicContact CB-CG2 4.09Å; L892-V899 HydrophobicContact CD1-CG2 3.92Å; V897-V899 HydrophobicContact CG1-CG2 3.87Å; V899-L903 HydrophobicContact CG1-CB 4.32Å; V899-L903 HydrophobicContact CG1-CD2 3.79Å; V899-I904 HydrophobicContact CB-CD1 4.37Å; V899-I904 HydrophobicContact CB-CG1 4.4Å; V899-I904 HydrophobicContact CG1-CD1 4.25Å; V899-I904 HydrophobicContact CG1-CG1 3.75Å
900	D	86.7	Confident	86.7	Confident	88 Å²	88	61.7 Å²	61.7	47%	0.471	34%	0.337	S	S	.	.			trans	-79.4	144	174.1	-172.7	73.4	0	0	0	112.3	V902 L903 I904	D900-V902 PolarHBondContact O-N 3.4Å; D900-V902 VanDerWaalsContact OD2-CB 3.26Å; D900-V902 WeakPolarHBondContact OD2-CB 3.41Å; D900-V902 VanDerWaalsContact OD2-CG2 3.31Å; D900-V902 WeakPolarHBondContact OD2-CG2 3.34Å; D900-V902 PolarHBondContact OD2-N 3.18Å; D900-L903 PolarHBondContact O-N 3.49Å; D900-I904 PolarHBondContact O-N 3.26Å
901	P	86.3	Confident	86.9	Confident	42 Å²	42	55.6 Å²	55.6	27%	0.273	31%	0.311	S	S	.	.	H	α-helix	trans	-66.4	-24.1	-175.3	-17.6	34.4	0	0	0	113.1	V885 K905	V885-P901 HydrophobicContact CG1-CB 3.78Å; P901-K905 WeakPolarHBondContact O-CG 3.39Å; P901-K905 PolarHBondContact O-N 3.21Å; P901-K905 VanDerWaalsContact O-N 3.13Å
902	V	86.6	Confident	87	Confident	85 Å²	85	52.9 Å²	52.9	52%	0.515	30%	0.295	S	S	.	.	H	α-helix	trans	-67.5	-47.2	176.6	-176	0	0	0	0	109.7	D900 I904 K905 D906	D900-V902 PolarHBondContact O-N 3.4Å; D900-V902 VanDerWaalsContact OD2-CB 3.26Å; D900-V902 WeakPolarHBondContact OD2-CB 3.41Å; D900-V902 VanDerWaalsContact OD2-CG2 3.31Å; D900-V902 WeakPolarHBondContact OD2-CG2 3.34Å; D900-V902 PolarHBondContact OD2-N 3.18Å; V902-I904 VanDerWaalsContact C-N 3.28Å; V902-I904 PolarHBondContact O-N 2.84Å; V902-K905 CarbonylContact O-C 3.58Å; V902-K905 WeakPolarHBondContact O-CA 3.37Å; V902-K905 PolarHBondContact O-N 2.87Å; V902-D906 VanDerWaalsContact O-CG 3.27Å; V902-D906 PolarHBondContact O-N 3.27Å
903	L	87.1	Confident	87	Confident	27 Å²	27	54.9 Å²	54.9	14%	0.141	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-35.8	177.5	-171.1	156.4	0	0	0	112.1	I858 R859 T862 V899 D900 T907	I858-L903 HydrophobicContact CG2-CD1 4.32Å; I858-L903 HydrophobicContact CG2-CD2 4.23Å; R859-L903 HydrophobicContact CG-CD1 4.27Å; R859-L903 HydrophobicContact CG-CD2 3.89Å; R859-L903 HydrophobicContact CG-CG 4.26Å; T862-L903 HydrophobicContact CG2-CD2 4.43Å; V899-L903 HydrophobicContact CG1-CB 4.32Å; V899-L903 HydrophobicContact CG1-CD2 3.79Å; D900-L903 PolarHBondContact O-N 3.49Å; L903-T907 HydrophobicContact CD2-CG2 4.02Å; L903-T907 WeakPolarHBondContact O-CB 3.3Å; L903-T907 WeakPolarHBondContact O-CG2 3.48Å; L903-T907 PolarHBondContact O-N 3.17Å; L903-T907 PolarHBondContact O-OG1 2.8Å
904	I	88	Confident	87.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-43.8	173.2	-61	174	0	0	0	110.7	T862 L866 L880 V885 V888 R889 V899 D900 V902 T907 W908	T862-I904 HydrophobicContact CG2-CG1 4.1Å; L866-I904 HydrophobicContact CD1-CG2 4.49Å; L866-I904 HydrophobicContact CD2-CG2 4.36Å; L880-I904 HydrophobicContact CD1-CG2 4.08Å; V885-I904 HydrophobicContact CG1-CB 4.26Å; V885-I904 HydrophobicContact CG1-CD1 4.26Å; V885-I904 HydrophobicContact CG1-CG2 4.15Å; V888-I904 HydrophobicContact CB-CG2 4.38Å; V888-I904 HydrophobicContact CG1-CD1 4.3Å; V888-I904 HydrophobicContact CG1-CG2 3.97Å; R889-I904 HydrophobicContact CB-CD1 3.89Å; V899-I904 HydrophobicContact CB-CD1 4.37Å; V899-I904 HydrophobicContact CB-CG1 4.4Å; V899-I904 HydrophobicContact CG1-CD1 4.25Å; V899-I904 HydrophobicContact CG1-CG1 3.75Å; D900-I904 PolarHBondContact O-N 3.26Å; V902-I904 VanDerWaalsContact C-N 3.28Å; V902-I904 PolarHBondContact O-N 2.84Å; I904-T907 PolarHBondContact O-OG1 3.03Å; I904-T907 VanDerWaalsContact O-OG1 3.12Å; I904-W908 VanDerWaalsContact O-CB 3.26Å; I904-W908 WeakPolarHBondContact O-CB 3.36Å; I904-W908 PolarHBondContact O-N 3.11Å
905	K	88.3	Confident	87.4	Confident	99 Å²	99	50.3 Å²	50.3	43%	0.43	26%	0.261	S	S	.	.	H	α-helix	trans	-68.7	-39.7	177.4	-71.2	179.2	178.3	-171.8	0	112.9	V885 P901 V902 W908 H909	V885-K905 HydrophobicContact CG2-CG 4.16Å; P901-K905 WeakPolarHBondContact O-CG 3.39Å; P901-K905 PolarHBondContact O-N 3.21Å; P901-K905 VanDerWaalsContact O-N 3.13Å; V902-K905 CarbonylContact O-C 3.58Å; V902-K905 WeakPolarHBondContact O-CA 3.37Å; V902-K905 PolarHBondContact O-N 2.87Å; K905-W908 WeakPolarHBondContact O-CB 3.37Å; K905-W908 PolarHBondContact O-N 3.09Å; K905-H909 PolarHBondContact O-N 3.29Å
906	D	87	Confident	87.8	Confident	85 Å²	85	45.8 Å²	45.8	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-66.6	-43.4	178.2	-65.2	-21.9	0	0	0	111.7	V902	V902-D906 VanDerWaalsContact O-CG 3.27Å; V902-D906 PolarHBondContact O-N 3.27Å
907	T	89.3	Confident	88.2	Confident	6 Å²	6	42.8 Å²	42.8	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-68.2	-39.1	175	50.2	0	0	0	0	111.7	M837 R859 T862 L903 I904 Q910 L911	M837-T907 HydrophobicContact CE-CG2 3.89Å; R859-T907 HydrophobicContact CB-CG2 4.18Å; R859-T907 HydrophobicContact CG-CG2 3.81Å; T862-T907 WeakPolarHBondContact CG2-OG1 3.19Å; L903-T907 HydrophobicContact CD2-CG2 4.02Å; L903-T907 WeakPolarHBondContact O-CB 3.3Å; L903-T907 WeakPolarHBondContact O-CG2 3.48Å; L903-T907 PolarHBondContact O-N 3.17Å; L903-T907 PolarHBondContact O-OG1 2.8Å; I904-T907 PolarHBondContact O-OG1 3.03Å; I904-T907 VanDerWaalsContact O-OG1 3.12Å; T907-Q910 PolarHBondContact O-N 3.37Å; T907-L911 VanDerWaalsContact O-CG 3.27Å; T907-L911 WeakPolarHBondContact O-CG 3.19Å; T907-L911 PolarHBondContact O-N 3.07Å; T907-L911 VanDerWaalsContact O-N 3.13Å
908	W	90.1	Very high	88.5	Confident	4 Å²	4	45 Å²	45	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-56.3	-50.8	172.1	176.7	-100.3	0	0	0	112.3	L866 L869 L870 H876 A878 L880 I904 K905 Q910 L911 Y912	L866-W908 HydrophobicContact CB-CE3 4.04Å; L866-W908 HydrophobicContact CB-CZ3 4.36Å; L866-W908 HydrophobicContact CD1-CB 4Å; L866-W908 HydrophobicContact CD1-CE3 4.25Å; L866-W908 HydrophobicContact CD2-CE3 3.85Å; L866-W908 HydrophobicContact CD2-CZ3 4.36Å; L866-W908 HydrophobicContact CG-CE3 4.25Å; L869-W908 HydrophobicContact CB-CZ3 4.49Å; L869-W908 HydrophobicContact CD2-CH2 3.96Å; L869-W908 HydrophobicContact CD2-CZ3 4.15Å; L870-W908 HydrophobicContact CD1-CH2 4.39Å; L870-W908 HydrophobicContact CD1-CZ3 4.17Å; L870-W908 HydrophobicContact CD2-CH2 3.35Å; L870-W908 HydrophobicContact CD2-CZ2 3.93Å; L870-W908 HydrophobicContact CD2-CZ3 3.96Å; L870-W908 HydrophobicContact CG-CH2 3.59Å; L870-W908 HydrophobicContact CG-CZ3 3.65Å; H876-W908 HydrophobicContact CB-CH2 4.39Å; H876-W908 HydrophobicContact CB-CZ2 4.28Å; H876-W908 AromaticContact CD2-CH2 3.97Å; H876-W908 AromaticContact CE1-CZ2 3.61Å; H876-W908 AromaticContact CG-CH2 3.85Å; H876-W908 AromaticContact CG-CZ2 3.69Å; H876-W908 AromaticContact ND1-CH2 3.89Å; H876-W908 AromaticContact ND1-CZ2 3.31Å; H876-W908 VanDerWaalsContact ND1-CZ2 3.31Å; H876-W908 WeakPolarHBondContact ND1-CZ2 3.47Å; A878-W908 PolarHBondContact O-NE1 3.06Å; A878-W908 VanDerWaalsContact O-NE1 3.07Å; L880-W908 HydrophobicContact CD1-CB 3.63Å; L880-W908 HydrophobicContact CD1-CD2 3.73Å; L880-W908 HydrophobicContact CD1-CE3 3.95Å; L880-W908 HydrophobicContact CD1-CG 3.57Å; L880-W908 HydrophobicContact CD2-CD2 3.83Å; L880-W908 HydrophobicContact CD2-CE3 3.87Å; L880-W908 HydrophobicContact CD2-CG 4.42Å; L880-W908 HydrophobicContact CD2-CH2 4.11Å; L880-W908 HydrophobicContact CD2-CZ2 4.15Å; L880-W908 HydrophobicContact CD2-CZ3 3.99Å; L880-W908 HydrophobicContact CG-CB 4.22Å; L880-W908 HydrophobicContact CG-CD2 3.53Å; L880-W908 HydrophobicContact CG-CE3 4Å; L880-W908 HydrophobicContact CG-CG 3.6Å; L880-W908 HydrophobicContact CG-CZ2 4.48Å; I904-W908 VanDerWaalsContact O-CB 3.26Å; I904-W908 WeakPolarHBondContact O-CB 3.36Å; I904-W908 PolarHBondContact O-N 3.11Å; K905-W908 WeakPolarHBondContact O-CB 3.37Å; K905-W908 PolarHBondContact O-N 3.09Å; W908-Q910 PolarHBondContact O-N 2.76Å; W908-Q910 VanDerWaalsContact O-N 3.16Å; W908-L911 PolarHBondContact O-N 3.43Å; W908-L911 VanDerWaalsContact O-N 3.07Å; W908-Y912 AromaticContact CZ2-CD2 3.94Å; W908-Y912 HydrophobicContact CZ2-CD2 3.94Å; W908-Y912 WeakPolarHBondContact O-CB 3.21Å; W908-Y912 PolarHBondContact O-N 2.64Å
909	H	88.8	Confident	88.8	Confident	76 Å²	76	40.3 Å²	40.3	35%	0.352	20%	0.198	S	C	.	.	H	α-helix	trans	-56.9	-38	-174.4	-169.9	-7.7	0	0	0	112.3	K905 R913	K905-H909 PolarHBondContact O-N 3.29Å; H909-R913 PolarHBondContact CE1-NH1 3.21Å; H909-R913 PolarHBondContact CE1-NH2 3.25Å; H909-R913 PolarHBondContact ND1-NH1 3.08Å; H909-R913 PolarHBondContact NE2-NH2 2.98Å; H909-R913 VanDerWaalsContact NE2-NH2 3.17Å; H909-R913 WeakPolarHBondContact O-CG 3.41Å; H909-R913 PolarHBondContact O-N 3.16Å; H909-R913 VanDerWaalsContact O-N 3.11Å
910	Q	88.8	Confident	89	Confident	40 Å²	40	40.1 Å²	40.1	19%	0.187	20%	0.198	C	C	.	.	H	α-helix	trans	-75.3	-42.1	176.4	-52.7	-60.3	6	0	0	112.4	N830 V833 I834 M837 T907 W908 Y912 R913 R914	N830-Q910 PolarHBondContact ND2-OE1 3.19Å; N830-Q910 PolarHBondContact OD1-O 2.81Å; V833-Q910 HydrophobicContact CG1-CG 4.49Å; I834-Q910 HydrophobicContact CD1-CB 4.3Å; I834-Q910 HydrophobicContact CG1-CB 3.88Å; M837-Q910 HydrophobicContact CE-CG 4.28Å; M837-Q910 HydrophobicContact SD-CG 3.89Å; T907-Q910 PolarHBondContact O-N 3.37Å; W908-Q910 PolarHBondContact O-N 2.76Å; W908-Q910 VanDerWaalsContact O-N 3.16Å; Q910-Y912 VanDerWaalsContact C-N 3.29Å; Q910-Y912 PolarHBondContact O-N 2.88Å; Q910-R913 WeakPolarHBondContact O-CB 3.49Å; Q910-R913 PolarHBondContact O-N 3.3Å; Q910-R914 PolarHBondContact O-N 2.83Å
911	L	90.1	Very high	89.2	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-64.7	-35.6	177.8	-65.1	168.3	0	0	0	112.3	I834 K863 L866 L870 T907 W908 R914 H915	I834-L911 HydrophobicContact CD1-CD2 4.16Å; I834-L911 HydrophobicContact CG2-CD2 4.36Å; K863-L911 HydrophobicContact CB-CD1 3.93Å; K863-L911 HydrophobicContact CD-CD2 3.79Å; K863-L911 HydrophobicContact CG-CD1 3.87Å; K863-L911 HydrophobicContact CG-CD2 3.76Å; K863-L911 HydrophobicContact CG-CG 4.47Å; L866-L911 HydrophobicContact CB-CD1 3.83Å; L866-L911 HydrophobicContact CD1-CD1 4.12Å; L870-L911 HydrophobicContact CD1-CB 4.17Å; T907-L911 VanDerWaalsContact O-CG 3.27Å; T907-L911 WeakPolarHBondContact O-CG 3.19Å; T907-L911 PolarHBondContact O-N 3.07Å; T907-L911 VanDerWaalsContact O-N 3.13Å; W908-L911 PolarHBondContact O-N 3.43Å; W908-L911 VanDerWaalsContact O-N 3.07Å; L911-R914 PolarHBondContact O-N 3.28Å; L911-H915 PolarHBondContact O-N 3.44Å
912	Y	90.1	Very high	89.3	Confident	15 Å²	15	39.8 Å²	39.8	6%	0.059	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-48.4	171.1	-173.4	-99.5	0	0	0	111.7	L709 L870 H876 T877 A878 W908 Q910 R914 H915 F916	L709-Y912 HydrophobicContact CD1-CE1 4.17Å; L870-Y912 HydrophobicContact CD2-CD2 4.21Å; H876-Y912 WeakPolarHBondContact O-CE2 3.38Å; H876-Y912 PolarHBondContact O-OH 3.45Å; T877-Y912 WeakPolarHBondContact O-CE2 3.27Å; A878-Y912 VanDerWaalsContact CA-CE1 3.44Å; A878-Y912 HydrophobicContact CB-CD1 3.78Å; A878-Y912 HydrophobicContact CB-CE1 3.51Å; W908-Y912 AromaticContact CZ2-CD2 3.94Å; W908-Y912 HydrophobicContact CZ2-CD2 3.94Å; W908-Y912 WeakPolarHBondContact O-CB 3.21Å; W908-Y912 PolarHBondContact O-N 2.64Å; Q910-Y912 VanDerWaalsContact C-N 3.29Å; Q910-Y912 PolarHBondContact O-N 2.88Å; Y912-R914 VanDerWaalsContact C-N 3.3Å; Y912-R914 PolarHBondContact O-N 2.89Å; Y912-H915 PolarHBondContact O-N 2.68Å; Y912-F916 HydrophobicContact CE1-CB 4.39Å; Y912-F916 VanDerWaalsContact O-CB 3.26Å; Y912-F916 WeakPolarHBondContact O-CB 3.35Å; Y912-F916 PolarHBondContact O-N 2.98Å
913	R	89.3	Confident	89.3	Confident	41 Å²	41	38 Å²	38	16%	0.155	18%	0.182	C	C	.	.	H	α-helix	trans	-53.2	-47.1	173.2	-82.4	-175.9	179.1	108.5	7.3	111.7	E705 H909 Q910 F916 L917	E705-R913 IonicContact OE1-CZ 2.69Å; E705-R913 IonicContact OE1-NE 2.84Å; E705-R913 PolarHBondContact OE1-NE 2.94Å; E705-R913 IonicContact OE1-NH2 3.2Å; E705-R913 IonicContact OE2-CZ 2.72Å; E705-R913 VanDerWaalsContact OE2-CZ 3.26Å; E705-R913 IonicContact OE2-NE 3.27Å; E705-R913 PolarHBondContact OE2-NE 3.4Å; E705-R913 IonicContact OE2-NH2 3.65Å; E705-R913 PolarHBondContact OE2-NH2 2.95Å; H909-R913 PolarHBondContact CE1-NH1 3.21Å; H909-R913 PolarHBondContact CE1-NH2 3.25Å; H909-R913 PolarHBondContact ND1-NH1 3.08Å; H909-R913 PolarHBondContact NE2-NH2 2.98Å; H909-R913 VanDerWaalsContact NE2-NH2 3.17Å; H909-R913 WeakPolarHBondContact O-CG 3.41Å; H909-R913 PolarHBondContact O-N 3.16Å; H909-R913 VanDerWaalsContact O-N 3.11Å; Q910-R913 WeakPolarHBondContact O-CB 3.49Å; Q910-R913 PolarHBondContact O-N 3.3Å; R913-F916 PolarHBondContact O-N 3.41Å; R913-L917 WeakPolarHBondContact O-CB 3.41Å; R913-L917 WeakPolarHBondContact O-CD1 3.34Å; R913-L917 WeakPolarHBondContact O-CG 3.32Å; R913-L917 PolarHBondContact O-N 2.83Å
914	R	91.3	Very high	89.4	Confident	37 Å²	37	36.7 Å²	36.7	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-48	178	-172.3	-169.2	56.2	65.8	-0.9	112.1	L827 N830 E831 I834 D867 Q910 L911 Y912 Q918	L827-R914 HydrophobicContact CD1-CG 3.87Å; N830-R914 WeakPolarHBondContact OD1-CB 3.45Å; N830-R914 PolarHBondContact OD1-N 2.67Å; E831-R914 HydrophobicContact CG-CG 4.09Å; I834-R914 HydrophobicContact CD1-CB 3.74Å; I834-R914 HydrophobicContact CD1-CG 4.19Å; D867-R914 IonicContact OD1-CZ 2.81Å; D867-R914 IonicContact OD1-NH2 3.6Å; D867-R914 PolarHBondContact OD1-NH2 2.81Å; Q910-R914 PolarHBondContact O-N 2.83Å; L911-R914 PolarHBondContact O-N 3.28Å; Y912-R914 VanDerWaalsContact C-N 3.3Å; Y912-R914 PolarHBondContact O-N 2.89Å; R914-Q918 WeakPolarHBondContact O-CB 3.22Å; R914-Q918 VanDerWaalsContact O-CG 3.24Å; R914-Q918 WeakPolarHBondContact O-CG 3.31Å; R914-Q918 PolarHBondContact O-N 3.04Å
915	H	89.9	Confident	89.3	Confident	24 Å²	24	39.8 Å²	39.8	11%	0.111	19%	0.192	C	C	.	.	H	α-helix	trans	-64.9	-47.5	178.7	169.1	-92.5	0	0	0	111.7	L870 D874 L911 Y912 L917 Q918 K919	L870-H915 HydrophobicContact CD1-CB 4.27Å; L870-H915 HydrophobicContact CD2-CB 4.41Å; D874-H915 PolarHBondContact O-CE1 3.25Å; D874-H915 VanDerWaalsContact O-CE1 3.3Å; D874-H915 IonicContact OD1-CD2 2.71Å; D874-H915 IonicContact OD1-CE1 3.59Å; D874-H915 IonicContact OD1-NE2 2.77Å; D874-H915 PolarHBondContact OD1-NE2 3.11Å; L911-H915 PolarHBondContact O-N 3.44Å; Y912-H915 PolarHBondContact O-N 2.68Å; H915-L917 PolarHBondContact O-N 2.88Å; H915-Q918 PolarHBondContact O-N 2.91Å; H915-K919 PolarHBondContact O-N 2.76Å
916	F	90.6	Very high	89.2	Confident	20 Å²	20	40.2 Å²	40.2	9%	0.088	20%	0.199	C	C	.	.	H	α-helix	trans	-55.2	-49.1	174.5	173.1	-96.4	0	0	0	112.4	Y708 L709 A712 Y912 R913 Q918 K919 A920	Y708-F916 AromaticContact CD1-CE1 3.92Å; Y708-F916 HydrophobicContact CD1-CE1 3.92Å; Y708-F916 AromaticContact CD1-CZ 3.91Å; Y708-F916 HydrophobicContact CD1-CZ 3.91Å; Y708-F916 AromaticContact CE1-CE1 3.74Å; Y708-F916 HydrophobicContact CE1-CE1 3.74Å; Y708-F916 AromaticContact CE1-CZ 3.6Å; Y708-F916 HydrophobicContact CE1-CZ 3.6Å; L709-F916 HydrophobicContact CB-CE1 4.44Å; L709-F916 HydrophobicContact CD1-CB 4.44Å; L709-F916 HydrophobicContact CD1-CD1 3.59Å; L709-F916 HydrophobicContact CD1-CD2 3.92Å; L709-F916 HydrophobicContact CD1-CE1 3.74Å; L709-F916 HydrophobicContact CD1-CE2 4.06Å; L709-F916 HydrophobicContact CD1-CG 3.69Å; L709-F916 HydrophobicContact CD1-CZ 3.98Å; A712-F916 HydrophobicContact CB-CE2 3.55Å; A712-F916 HydrophobicContact CB-CZ 3.66Å; Y912-F916 HydrophobicContact CE1-CB 4.39Å; Y912-F916 VanDerWaalsContact O-CB 3.26Å; Y912-F916 WeakPolarHBondContact O-CB 3.35Å; Y912-F916 PolarHBondContact O-N 2.98Å; R913-F916 PolarHBondContact O-N 3.41Å; F916-Q918 VanDerWaalsContact C-N 3.32Å; F916-Q918 PolarHBondContact O-N 3.27Å; F916-K919 PolarHBondContact O-N 3.38Å; F916-A920 WeakPolarHBondContact O-CB 3.48Å; F916-A920 PolarHBondContact O-N 3.07Å
917	L	90.8	Very high	89.1	Confident	8 Å²	8	36.2 Å²	36.2	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-35.3	179.2	-70.5	168.7	0	0	0	112.1	L823 R826 L827 N830 R913 H915 L921	L823-L917 HydrophobicContact CD2-CD2 3.54Å; R826-L917 HydrophobicContact CB-CD1 4.22Å; R826-L917 HydrophobicContact CB-CD2 4.41Å; L827-L917 HydrophobicContact CB-CB 4.31Å; L827-L917 HydrophobicContact CD1-CB 4.15Å; N830-L917 HydrophobicContact CB-CD1 4.39Å; R913-L917 WeakPolarHBondContact O-CB 3.41Å; R913-L917 WeakPolarHBondContact O-CD1 3.34Å; R913-L917 WeakPolarHBondContact O-CG 3.32Å; R913-L917 PolarHBondContact O-N 2.83Å; H915-L917 PolarHBondContact O-N 2.88Å; L917-L921 VanDerWaalsContact O-CB 3.24Å; L917-L921 WeakPolarHBondContact O-CB 3.47Å; L917-L921 PolarHBondContact O-N 3.46Å
918	Q	91.3	Very high	88.9	Confident	66 Å²	66	39.7 Å²	39.7	31%	0.308	19%	0.192	S	C	.	.	H	α-helix	trans	-67.1	-43.9	173.2	-72.5	171.7	-4.4	0	0	111.4	L827 E831 R914 H915 F916 L921 T922	L827-Q918 HydrophobicContact CD1-CG 3.81Å; L827-Q918 HydrophobicContact CD2-CG 3.76Å; L827-Q918 HydrophobicContact CG-CG 4.47Å; E831-Q918 PolarHBondContact OE1-NE2 3.05Å; E831-Q918 VanDerWaalsContact OE1-NE2 3.08Å; R914-Q918 WeakPolarHBondContact O-CB 3.22Å; R914-Q918 VanDerWaalsContact O-CG 3.24Å; R914-Q918 WeakPolarHBondContact O-CG 3.31Å; R914-Q918 PolarHBondContact O-N 3.04Å; H915-Q918 PolarHBondContact O-N 2.91Å; F916-Q918 VanDerWaalsContact C-N 3.32Å; F916-Q918 PolarHBondContact O-N 3.27Å; Q918-L921 PolarHBondContact O-N 3.5Å; Q918-T922 PolarHBondContact O-N 3.32Å
919	K	88.6	Confident	88.4	Confident	71 Å²	71	49.9 Å²	49.9	31%	0.309	23%	0.23	S	C	.	.	H	α-helix	trans	-62.4	-48.6	175.9	-171.1	159.4	174.7	160.6	0	111.5	D874 D875 H915 F916 L921 T922 H923	D874-K919 PolarHBondContact O-NZ 3Å; D874-K919 IonicContact OD2-NZ 2.71Å; D874-K919 PolarHBondContact OD2-NZ 3.07Å; D875-K919 IonicContact OD1-NZ 3.67Å; D875-K919 PolarHBondContact OD1-NZ 3.22Å; H915-K919 PolarHBondContact O-N 2.76Å; F916-K919 PolarHBondContact O-N 3.38Å; K919-L921 VanDerWaalsContact C-N 3.33Å; K919-L921 PolarHBondContact O-N 3.32Å; K919-T922 PolarHBondContact O-N 3.46Å; K919-T922 VanDerWaalsContact O-N 3.14Å; K919-T922 PolarHBondContact O-OG1 2.93Å; K919-H923 PolarHBondContact O-N 2.91Å
920	A	89.6	Confident	87.9	Confident	5 Å²	5	46.4 Å²	46.4	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-39.5	174.2	0	0	0	0	0	113	Y708 L823 F916 H923 C924	Y708-A920 HydrophobicContact CE1-CB 4.15Å; Y708-A920 WeakPolarHBondContact OH-CB 3.49Å; L823-A920 HydrophobicContact CD1-CB 3.86Å; L823-A920 HydrophobicContact CD2-CB 4.18Å; F916-A920 WeakPolarHBondContact O-CB 3.48Å; F916-A920 PolarHBondContact O-N 3.07Å; A920-H923 PolarHBondContact O-N 3.09Å; A920-C924 WeakPolarHBondContact O-CB 3.19Å; A920-C924 PolarHBondContact O-N 3.38Å
921	L	91	Very high	87.6	Confident	37 Å²	37	45.6 Å²	45.6	19%	0.194	21%	0.211	C	C	.	.	H	α-helix	trans	-68.2	-36	176.5	-174.5	152.2	0	0	0	112.2	Q824 L917 Q918 K919 N925	Q824-L921 HydrophobicContact CG-CD1 3.5Å; Q824-L921 VanDerWaalsContact CG-CD1 3.5Å; L917-L921 VanDerWaalsContact O-CB 3.24Å; L917-L921 WeakPolarHBondContact O-CB 3.47Å; L917-L921 PolarHBondContact O-N 3.46Å; Q918-L921 PolarHBondContact O-N 3.5Å; K919-L921 VanDerWaalsContact C-N 3.33Å; K919-L921 PolarHBondContact O-N 3.32Å; L921-N925 PolarHBondContact O-N 3.38Å; L921-N925 PolarHBondContact O-ND2 2.94Å
922	T	89.1	Confident	86.8	Confident	85 Å²	85	51.4 Å²	51.4	52%	0.521	23%	0.233	S	C	.	.	H	α-helix	trans	-67.1	-40.5	171.2	58.3	0	0	0	0	112.1	Q918 K919 N925 L926	Q918-T922 PolarHBondContact O-N 3.32Å; K919-T922 PolarHBondContact O-N 3.46Å; K919-T922 VanDerWaalsContact O-N 3.14Å; K919-T922 PolarHBondContact O-OG1 2.93Å; T922-N925 PolarHBondContact O-N 3.15Å; T922-L926 PolarHBondContact O-N 3.27Å
923	H	86.6	Confident	86	Confident	47 Å²	47	56.4 Å²	56.4	22%	0.218	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-46.9	174.4	-175.4	-138.7	0	0	0	111.9	K919 A920 N925 L926 C927 E944 D947	K919-H923 PolarHBondContact O-N 2.91Å; A920-H923 PolarHBondContact O-N 3.09Å; H923-N925 PolarHBondContact O-N 3.42Å; H923-L926 WeakPolarHBondContact O-CB 3.26Å; H923-L926 PolarHBondContact O-N 3.07Å; H923-C927 PolarHBondContact O-N 3.26Å; H923-E944 PolarHBondContact CE1-O 3.21Å; H923-D947 IonicContact CE1-OD2 2.85Å; H923-D947 IonicContact ND1-OD2 2.68Å; H923-D947 PolarHBondContact ND1-OD2 3.32Å
924	C	88.1	Confident	85.4	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-53.8	-39.3	174.6	-169.1	0	0	0	0	112.4	M819 A920 C927 K928	M819-C924 HydrophobicContact CE-CB 3.97Å; M819-C924 HydrophobicContact CG-CB 4.48Å; M819-C924 HydrophobicContact SD-CB 4.19Å; A920-C924 WeakPolarHBondContact O-CB 3.19Å; A920-C924 PolarHBondContact O-N 3.38Å; C924-C927 PolarHBondContact O-N 3.24Å; C924-K928 PolarHBondContact O-N 2.87Å
925	N	86.8	Confident	84.6	Confident	64 Å²	64	61.5 Å²	61.5	34%	0.342	28%	0.278	S	S	.	.	H	α-helix	trans	-70.9	-31.6	177.7	-87.4	-78.4	0	0	0	113.7	E820 L921 T922 H923 K928	E820-N925 PolarHBondContact OE1-ND2 3.1Å; L921-N925 PolarHBondContact O-N 3.38Å; L921-N925 PolarHBondContact O-ND2 2.94Å; T922-N925 PolarHBondContact O-N 3.15Å; H923-N925 PolarHBondContact O-N 3.42Å; N925-K928 WeakPolarHBondContact O-CB 3.28Å; N925-K928 WeakPolarHBondContact OD1-CE 3.49Å; N925-K928 PolarHBondContact OD1-NZ 3.47Å
926	L	86.1	Confident	83.7	Confident	109 Å²	109	67.3 Å²	67.3	57%	0.571	30%	0.299	S	S	*	.	H	α-helix	trans	-68.6	-42.4	170.4	-62	173	0	0	0	110.9	T922 H923 K928 R929 L943	T922-L926 PolarHBondContact O-N 3.27Å; H923-L926 WeakPolarHBondContact O-CB 3.26Å; H923-L926 PolarHBondContact O-N 3.07Å; L926-K928 PolarHBondContact O-N 3.43Å; L926-K928 VanDerWaalsContact O-N 3.12Å; L926-R929 PolarHBondContact O-N 2.88Å; L926-L943 HydrophobicContact CB-CD1 3.69Å; L926-L943 HydrophobicContact CD1-CD1 4.39Å
927	C	85.9	Confident	82.3	Confident	1 Å²	1	74.1 Å²	74.1	1%	0.007	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-15.3	179.8	-72.1	0	0	0	0	115.1	W812 I816 H923 C924 R929 G930 C945 V948	W812-C927 PolarHBondContact NE1-O 2.93Å; W812-C927 VanDerWaalsContact NE1-O 3.08Å; I816-C927 HydrophobicContact CD1-CB 3.95Å; I816-C927 WeakPolarHBondContact CD1-O 3.38Å; H923-C927 PolarHBondContact O-N 3.26Å; C924-C927 PolarHBondContact O-N 3.24Å; C927-R929 PolarHBondContact O-N 3.39Å; C927-G930 PolarHBondContact O-N 3.34Å; C927-C945 WeakPolarHBondContact CA-SG 3.2Å; C927-C945 HydrophobicContact CB-CB 3.93Å; C927-C945 WeakPolarHBondContact CB-SG 3.47Å; C927-C945 VanDerWaalsContact SG-CA 3.51Å; C927-C945 WeakPolarHBondContact SG-CB 3.27Å; C927-C945 CovalentContact SG-SG 2.04Å; C927-C945 PolarHBondContact SG-SG 3.11Å; C927-V948 HydrophobicContact CB-CG2 3.82Å
928	K	84.5	Confident	80.7	Confident	78 Å²	78	79.9 Å²	79.9	34%	0.339	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-21.7	170.6	-75.3	173.4	-179.5	175	0	113.5	I816 E820 C924 N925 L926	I816-K928 HydrophobicContact CD1-CG 4.46Å; I816-K928 HydrophobicContact CG2-CD 4.47Å; I816-K928 HydrophobicContact CG2-CG 3.64Å; E820-K928 IonicContact OE1-NZ 2.66Å; E820-K928 PolarHBondContact OE1-NZ 3.35Å; E820-K928 WeakPolarHBondContact OE2-CE 3.5Å; E820-K928 IonicContact OE2-NZ 2.7Å; E820-K928 PolarHBondContact OE2-NZ 3.15Å; C924-K928 PolarHBondContact O-N 2.87Å; N925-K928 WeakPolarHBondContact O-CB 3.28Å; N925-K928 WeakPolarHBondContact OD1-CE 3.49Å; N925-K928 PolarHBondContact OD1-NZ 3.47Å; L926-K928 PolarHBondContact O-N 3.43Å; L926-K928 VanDerWaalsContact O-N 3.12Å
929	R	80.1	Confident	78.9	Confident	219 Å²	219	83 Å²	83	83%	0.826	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	1.3	175.7	-62.6	176.8	66.4	-179.7	-1.3	113.6	L926 C927	L926-R929 PolarHBondContact O-N 2.88Å; C927-R929 PolarHBondContact O-N 3.39Å
930	G	78.4	Confident	76.9	Confident	3 Å²	3	86.7 Å²	86.7	3%	0.031	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-21.3	-170	0	0	0	0	0	116.5	C927 Y932 Y933 Y934	C927-G930 PolarHBondContact O-N 3.34Å; G930-Y932 PolarHBondContact O-N 3.38Å; G930-Y933 WeakPolarHBondContact O-CB 3.29Å; G930-Y933 PolarHBondContact O-N 3.29Å; G930-Y934 PolarHBondContact O-N 3.45Å; G930-Y934 VanDerWaalsContact O-N 3.12Å
931	F	81.3	Confident	75.2	Confident	22 Å²	22	88.1 Å²	88.1	10%	0.096	41%	0.412	C	S	.	.	H	α-helix	trans	-51.7	-37.3	-172.4	-177	-104.4	0	0	0	114.5	I806 K809 W812 Y933 Y934 Q935	I806-F931 HydrophobicContact CG2-CE2 4.47Å; K809-F931 HydrophobicContact CB-CD1 3.85Å; K809-F931 HydrophobicContact CB-CE1 3.78Å; K809-F931 HydrophobicContact CB-CG 4.3Å; K809-F931 HydrophobicContact CB-CZ 4.16Å; K809-F931 HydrophobicContact CG-CB 4.43Å; K809-F931 HydrophobicContact CG-CD1 3.87Å; K809-F931 HydrophobicContact CG-CE1 4.33Å; K809-F931 HydrophobicContact CG-CG 4.06Å; W812-F931 HydrophobicContact CB-CB 4.48Å; W812-F931 HydrophobicContact CB-CD2 3.52Å; W812-F931 HydrophobicContact CB-CE2 4.13Å; W812-F931 HydrophobicContact CB-CG 4.28Å; W812-F931 HydrophobicContact CD2-CB 4.11Å; W812-F931 AromaticContact CD2-CD2 3.85Å; W812-F931 HydrophobicContact CD2-CD2 3.85Å; W812-F931 HydrophobicContact CD2-CG 4.49Å; W812-F931 HydrophobicContact CE3-CD2 4.04Å; W812-F931 HydrophobicContact CG-CB 3.88Å; W812-F931 AromaticContact CG-CD2 3.63Å; W812-F931 HydrophobicContact CG-CD2 3.63Å; W812-F931 HydrophobicContact CG-CG 4.16Å; F931-Y933 VanDerWaalsContact C-N 3.34Å; F931-Y933 PolarHBondContact O-N 2.83Å; F931-Y934 PolarHBondContact O-N 2.97Å; F931-Q935 PolarHBondContact O-N 2.77Å
932	Y	73.1	Confident	73.7	Confident	127 Å²	127	96.3 Å²	96.3	50%	0.498	45%	0.449	S	S	.	.	H	α-helix	trans	-65.5	-34.6	179.2	-177.5	-93.6	0	0	0	113.5	G930 R936	G930-Y932 PolarHBondContact O-N 3.38Å; Y932-R936 WeakPolarHBondContact O-CG 3.33Å; Y932-R936 PolarHBondContact OH-NH1 3.04Å; Y932-R936 VanDerWaalsContact OH-NH1 3.17Å; Y932-R936 PolarHBondContact OH-NH2 3.19Å
933	Y	74.6	Confident	72.7	Confident	120 Å²	120	94.9 Å²	94.9	47%	0.471	44%	0.438	S	S	.	.	H	α-helix	trans	-75.9	-42.8	176.6	-61.5	-89.3	0	0	0	110.3	G930 F931 Q935 R936 H937	G930-Y933 WeakPolarHBondContact O-CB 3.29Å; G930-Y933 PolarHBondContact O-N 3.29Å; F931-Y933 VanDerWaalsContact C-N 3.34Å; F931-Y933 PolarHBondContact O-N 2.83Å; Y933-Q935 PolarHBondContact O-N 3.06Å; Y933-R936 PolarHBondContact O-N 2.9Å; Y933-H937 PolarHBondContact O-N 2.99Å
934	Y	75.9	Confident	72.1	Confident	63 Å²	63	97.4 Å²	97.4	25%	0.247	45%	0.45	C	S	.	.	H	α-helix	trans	-55.5	-50.5	175.7	178.3	-96.5	0	0	0	112.3	R804 I806 W812 G930 F931 R936 H937 V949	R804-Y934 PolarHBondContact O-OH 3Å; I806-Y934 HydrophobicContact CB-CE1 3.83Å; I806-Y934 HydrophobicContact CG1-CE1 4.47Å; I806-Y934 PolarHBondContact N-OH 2.66Å; W812-Y934 HydrophobicContact CE3-CD1 4.15Å; W812-Y934 HydrophobicContact CE3-CG 4.19Å; W812-Y934 HydrophobicContact CH2-CD2 4.09Å; W812-Y934 HydrophobicContact CH2-CG 4.04Å; W812-Y934 AromaticContact CZ3-CD1 3.88Å; W812-Y934 HydrophobicContact CZ3-CD1 3.88Å; W812-Y934 AromaticContact CZ3-CD2 3.62Å; W812-Y934 HydrophobicContact CZ3-CD2 3.62Å; W812-Y934 HydrophobicContact CZ3-CE1 4.34Å; W812-Y934 HydrophobicContact CZ3-CE2 4.11Å; W812-Y934 AromaticContact CZ3-CG 3.49Å; W812-Y934 HydrophobicContact CZ3-CG 3.49Å; W812-Y934 VanDerWaalsContact CZ3-CG 3.49Å; G930-Y934 PolarHBondContact O-N 3.45Å; G930-Y934 VanDerWaalsContact O-N 3.12Å; F931-Y934 PolarHBondContact O-N 2.97Å; Y934-R936 PolarHBondContact O-N 2.98Å; Y934-R936 VanDerWaalsContact O-N 3.11Å; Y934-H937 PolarHBondContact O-N 3.09Å; Y934-V949 HydrophobicContact CD2-CG2 4.4Å; Y934-V949 HydrophobicContact CE2-CG2 3.62Å
935	Q	74.7	Confident	71.9	Confident	122 Å²	122	98 Å²	98	57%	0.57	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.4	-178.7	-161.9	-177.4	26.8	0	0	113.9	F931 Y933	F931-Q935 PolarHBondContact O-N 2.77Å; Y933-Q935 PolarHBondContact O-N 3.06Å
936	R	70	Confident	71.8	Confident	145 Å²	145	96.8 Å²	96.8	55%	0.547	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-0.3	-175.2	-72.3	-175.5	166.2	-143	-4.7	114.7	Y932 Y933 Y934 F938	Y932-R936 WeakPolarHBondContact O-CG 3.33Å; Y932-R936 PolarHBondContact OH-NH1 3.04Å; Y932-R936 VanDerWaalsContact OH-NH1 3.17Å; Y932-R936 PolarHBondContact OH-NH2 3.19Å; Y933-R936 PolarHBondContact O-N 2.9Å; Y934-R936 PolarHBondContact O-N 2.98Å; Y934-R936 VanDerWaalsContact O-N 3.11Å; R936-F938 HydrophobicContact CB-CD2 4.35Å; R936-F938 PolarHBondContact O-N 3.2Å; R936-F938 VanDerWaalsContact O-N 3.17Å
937	H	63	Low	71.9	Confident	163 Å²	163	92.2 Å²	92.2	76%	0.755	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	37.7	-177	-58.7	-60.9	0	0	0	113.7	Y933 Y934 V939	Y933-H937 PolarHBondContact O-N 2.99Å; Y934-H937 PolarHBondContact O-N 3.09Å; H937-V939 PolarHBondContact O-N 3.48Å
938	F	57.3	Low	72	Confident	130 Å²	130	92.1 Å²	92.1	57%	0.57	42%	0.423	S	S	*	.			trans	-74.5	112.6	178.5	-119.7	-93.6	0	0	0	109.9	R936	R936-F938 HydrophobicContact CB-CD2 4.35Å; R936-F938 PolarHBondContact O-N 3.2Å; R936-F938 VanDerWaalsContact O-N 3.17Å
939	V	53.1	Low	72.3	Confident	132 Å²	132	88.9 Å²	88.9	80%	0.8	41%	0.41	S	S	*	.	S	Bend	trans	-77.9	-32.8	-175.7	-177	0	0	0	0	111.7	H937 S941	H937-V939 PolarHBondContact O-N 3.48Å; V939-S941 VanDerWaalsContact C-N 3.26Å; V939-S941 PolarHBondContact O-N 2.83Å
940	D	46.3	Very low	72.8	Confident	147 Å²	147	78.6 Å²	78.6	79%	0.786	37%	0.371	S	S	*	.	S	Bend	trans	-86.1	48.1	-175.5	-51.4	-53.6	0	0	0	112.8
941	S	53.3	Low	73.5	Confident	36 Å²	36	78.4 Å²	78.4	25%	0.252	37%	0.369	S	S	.	.			trans	-133.1	120.2	178.6	-69.3	0	0	0	0	111.1	V939 L943	V939-S941 VanDerWaalsContact C-N 3.26Å; V939-S941 PolarHBondContact O-N 2.83Å; S941-L943 PolarHBondContact O-N 3.16Å
942	E	59.1	Low	74	Confident	209 Å²	209	77.8 Å²	77.8	98%	0.977	37%	0.366	S	S	*	.	S	Bend	trans	-65	14.4	-174.7	-55.3	176.8	147.1	0	0	115.2
943	L	69.1	Low	75	Confident	55 Å²	55	72.1 Å²	72.1	29%	0.288	34%	0.344	S	S	.	.			trans	-123.7	83.1	-173.8	-176.3	63.5	0	0	0	111.1	L926 S941 C945	L926-L943 HydrophobicContact CB-CD1 3.69Å; L926-L943 HydrophobicContact CD1-CD1 4.39Å; S941-L943 PolarHBondContact O-N 3.16Å; L943-C945 PolarHBondContact O-N 3.12Å
944	E	73.1	Confident	75.9	Confident	99 Å²	99	66.4 Å²	66.4	46%	0.463	32%	0.322	S	S	.	.			trans	-86.4	78.5	-175	-68	-157.1	122.9	0	0	113.7	S717 H923 N946	S717-E944 VanDerWaalsContact CB-CD 3.46Å; S717-E944 WeakPolarHBondContact CB-OE1 3.44Å; S717-E944 VanDerWaalsContact CB-OE2 3.27Å; S717-E944 WeakPolarHBondContact CB-OE2 3.37Å; S717-E944 PolarHBondContact OG-OE1 3.4Å; S717-E944 PolarHBondContact OG-OE2 3.07Å; H923-E944 PolarHBondContact CE1-O 3.21Å; E944-N946 PolarHBondContact O-N 3.15Å
945	C	83.9	Confident	76.7	Confident	15 Å²	15	65.4 Å²	65.4	10%	0.101	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	38.2	-177.8	-63.6	0	0	0	0	116.2	W812 C927 L943 D947 V948	W812-C945 HydrophobicContact CH2-CB 3.59Å; W812-C945 HydrophobicContact CZ2-CB 3.75Å; C927-C945 WeakPolarHBondContact CA-SG 3.2Å; C927-C945 HydrophobicContact CB-CB 3.93Å; C927-C945 WeakPolarHBondContact CB-SG 3.47Å; C927-C945 VanDerWaalsContact SG-CA 3.51Å; C927-C945 WeakPolarHBondContact SG-CB 3.27Å; C927-C945 CovalentContact SG-SG 2.04Å; C927-C945 PolarHBondContact SG-SG 3.11Å; L943-C945 PolarHBondContact O-N 3.12Å; C945-D947 PolarHBondContact O-N 2.79Å; C945-V948 HydrophobicContact CB-CG2 4.15Å; C945-V948 PolarHBondContact O-N 3.15Å
946	N	85.8	Confident	77.5	Confident	37 Å²	37	63.4 Å²	63.4	20%	0.198	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-33.1	177.1	-70.9	-76.8	0	0	0	112.8	S717 F720 N721 E944 V948 V949 L950	S717-N946 VanDerWaalsContact CB-ND2 3.3Å; S717-N946 WeakPolarHBondContact CB-ND2 3.35Å; F720-N946 HydrophobicContact CD1-CB 3.8Å; F720-N946 HydrophobicContact CE1-CB 3.7Å; N721-N946 PolarHBondContact ND2-OD1 2.96Å; E944-N946 PolarHBondContact O-N 3.15Å; N946-V948 VanDerWaalsContact C-N 3.28Å; N946-V948 PolarHBondContact O-N 3.08Å; N946-V949 WeakPolarHBondContact O-CB 3.46Å; N946-V949 PolarHBondContact O-N 2.96Å; N946-V949 VanDerWaalsContact O-N 3.12Å; N946-L950 PolarHBondContact O-N 2.93Å
947	D	87.6	Confident	78.7	Confident	13 Å²	13	56.5 Å²	56.5	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-52.7	-44.5	174.8	-64.7	-7.3	0	0	0	112.2	Y708 F720 M819 H923 C945 V949 L950 F951	Y708-D947 HydrophobicContact CE2-CB 4.2Å; Y708-D947 WeakPolarHBondContact CE2-OD1 3.16Å; Y708-D947 PolarHBondContact OH-OD2 3.07Å; F720-D947 WeakPolarHBondContact CE2-OD1 3.14Å; F720-D947 VanDerWaalsContact CZ-OD1 3.31Å; F720-D947 WeakPolarHBondContact CZ-OD1 3.31Å; M819-D947 HydrophobicContact CE-CB 3.51Å; M819-D947 HydrophobicContact SD-CB 3.91Å; H923-D947 IonicContact CE1-OD2 2.85Å; H923-D947 IonicContact ND1-OD2 2.68Å; H923-D947 PolarHBondContact ND1-OD2 3.32Å; C945-D947 PolarHBondContact O-N 2.79Å; D947-V949 PolarHBondContact O-N 3.38Å; D947-L950 WeakPolarHBondContact O-CB 3.25Å; D947-L950 PolarHBondContact O-N 3.4Å; D947-L950 VanDerWaalsContact O-N 3.09Å; D947-F951 WeakPolarHBondContact O-CD2 3.48Å; D947-F951 PolarHBondContact O-N 2.95Å
948	V	89	Confident	80.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-36.2	-177.9	-176.1	0	0	0	0	111	I806 W812 A815 I816 M819 C927 C945 N946 F951 W952	I806-V948 HydrophobicContact CD1-CG1 4.46Å; W812-V948 HydrophobicContact CD2-CG1 3.96Å; W812-V948 HydrophobicContact CE3-CG1 3.97Å; W812-V948 HydrophobicContact CH2-CB 3.94Å; W812-V948 HydrophobicContact CH2-CG1 4.08Å; W812-V948 HydrophobicContact CH2-CG2 4.28Å; W812-V948 HydrophobicContact CZ2-CB 4.15Å; W812-V948 HydrophobicContact CZ2-CG1 4.09Å; W812-V948 HydrophobicContact CZ2-CG2 4.08Å; W812-V948 HydrophobicContact CZ3-CB 4.22Å; W812-V948 HydrophobicContact CZ3-CG1 4.03Å; A815-V948 HydrophobicContact CB-CG1 4.07Å; I816-V948 HydrophobicContact CD1-CG1 4.29Å; I816-V948 HydrophobicContact CD1-CG2 4.03Å; I816-V948 HydrophobicContact CG1-CB 4.35Å; I816-V948 HydrophobicContact CG1-CG1 3.62Å; I816-V948 HydrophobicContact CG1-CG2 3.74Å; M819-V948 HydrophobicContact SD-CG2 4.42Å; C927-V948 HydrophobicContact CB-CG2 3.82Å; C945-V948 HydrophobicContact CB-CG2 4.15Å; C945-V948 PolarHBondContact O-N 3.15Å; N946-V948 VanDerWaalsContact C-N 3.28Å; N946-V948 PolarHBondContact O-N 3.08Å; V948-F951 PolarHBondContact O-N 2.89Å; V948-W952 VanDerWaalsContact O-CB 3.32Å; V948-W952 WeakPolarHBondContact O-CB 3.41Å; V948-W952 PolarHBondContact O-N 2.87Å
949	V	88.9	Confident	81.9	Confident	9 Å²	9	45 Å²	45	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-67.8	-38.7	176.7	-172	0	0	0	0	111	R804 I806 Y934 N946 D947 R953	R804-V949 HydrophobicContact CB-CG1 3.99Å; R804-V949 WeakPolarHBondContact O-CG1 3.46Å; I806-V949 HydrophobicContact CD1-CG2 4.28Å; Y934-V949 HydrophobicContact CD2-CG2 4.4Å; Y934-V949 HydrophobicContact CE2-CG2 3.62Å; N946-V949 WeakPolarHBondContact O-CB 3.46Å; N946-V949 PolarHBondContact O-N 2.96Å; N946-V949 VanDerWaalsContact O-N 3.12Å; D947-V949 PolarHBondContact O-N 3.38Å; V949-R953 WeakPolarHBondContact O-CB 3.18Å; V949-R953 WeakPolarHBondContact O-CD 3.26Å; V949-R953 WeakPolarHBondContact O-CG 3.41Å; V949-R953 PolarHBondContact O-N 3.39Å
950	L	91.3	Very high	83.8	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-48.9	172.5	169.7	59.1	0	0	0	111.6	I707 Y708 F720 V724 L728 N946 D947 W952 R953 I954	I707-L950 HydrophobicContact CG2-CD1 4.16Å; I707-L950 HydrophobicContact CG2-CD2 4.38Å; Y708-L950 HydrophobicContact CD2-CD2 3.86Å; F720-L950 HydrophobicContact CZ-CD2 4.25Å; V724-L950 HydrophobicContact CG1-CD1 3.74Å; V724-L950 HydrophobicContact CG2-CD2 3.98Å; L728-L950 HydrophobicContact CD1-CD1 4.1Å; N946-L950 PolarHBondContact O-N 2.93Å; D947-L950 WeakPolarHBondContact O-CB 3.25Å; D947-L950 PolarHBondContact O-N 3.4Å; D947-L950 VanDerWaalsContact O-N 3.09Å; L950-W952 PolarHBondContact O-N 3.08Å; L950-R953 WeakPolarHBondContact O-CB 3.4Å; L950-R953 PolarHBondContact O-N 3.38Å; L950-I954 HydrophobicContact CD1-CD1 3.52Å; L950-I954 HydrophobicContact CD1-CG1 4.19Å; L950-I954 HydrophobicContact CG-CD1 3.87Å; L950-I954 WeakPolarHBondContact O-CD1 3.31Å; L950-I954 WeakPolarHBondContact O-CG1 3.32Å; L950-I954 PolarHBondContact O-N 3.46Å
951	F	92.7	Very high	86.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.7	-37.2	179.8	-83.2	-86.5	0	0	0	112.5	I704 Y708 F818 M819 T822 D947 V948 I954 Q955	I704-F951 HydrophobicContact CD1-CE1 4.15Å; I704-F951 HydrophobicContact CD1-CZ 3.74Å; Y708-F951 HydrophobicContact CD1-CE2 4.25Å; Y708-F951 HydrophobicContact CD1-CZ 4.29Å; Y708-F951 HydrophobicContact CD2-CE2 4.26Å; Y708-F951 HydrophobicContact CE1-CE2 4.25Å; Y708-F951 HydrophobicContact CE2-CE2 4.27Å; Y708-F951 HydrophobicContact CG-CE2 4.25Å; F818-F951 HydrophobicContact CD1-CB 4.34Å; F818-F951 HydrophobicContact CD1-CD1 4.05Å; F818-F951 HydrophobicContact CE1-CD1 4.05Å; M819-F951 HydrophobicContact CB-CB 3.94Å; M819-F951 HydrophobicContact CB-CD1 3.96Å; M819-F951 HydrophobicContact CB-CD2 3.93Å; M819-F951 HydrophobicContact CB-CE1 4.47Å; M819-F951 HydrophobicContact CB-CE2 4.45Å; M819-F951 HydrophobicContact CB-CG 3.66Å; M819-F951 HydrophobicContact CE-CD2 4.36Å; M819-F951 HydrophobicContact CE-CE2 4.23Å; M819-F951 HydrophobicContact CG-CB 4.48Å; M819-F951 HydrophobicContact CG-CD1 4.24Å; M819-F951 HydrophobicContact CG-CD2 3.54Å; M819-F951 HydrophobicContact CG-CE1 4.39Å; M819-F951 HydrophobicContact CG-CE2 3.73Å; M819-F951 HydrophobicContact CG-CG 3.83Å; M819-F951 HydrophobicContact CG-CZ 4.15Å; M819-F951 HydrophobicContact SD-CD2 3.71Å; M819-F951 HydrophobicContact SD-CE2 4.12Å; M819-F951 HydrophobicContact SD-CG 4.36Å; T822-F951 HydrophobicContact CG2-CE1 4.02Å; D947-F951 WeakPolarHBondContact O-CD2 3.48Å; D947-F951 PolarHBondContact O-N 2.95Å; V948-F951 PolarHBondContact O-N 2.89Å; F951-I954 PolarHBondContact O-N 3.46Å; F951-Q955 WeakPolarHBondContact O-CB 3.37Å; F951-Q955 PolarHBondContact O-N 3.46Å
952	W	92	Very high	88	Confident	8 Å²	8	32.6 Å²	32.6	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-46.2	170.8	175.4	87.7	0	0	0	112.4	D803 S805 I806 A815 V948 L950 I954 Q955 R956	D803-W952 HydrophobicContact CB-CH2 4.5Å; S805-W952 VanDerWaalsContact C-CH2 3.47Å; S805-W952 WeakPolarHBondContact O-CH2 3.24Å; S805-W952 WeakPolarHBondContact O-CZ2 3.17Å; I806-W952 HydrophobicContact CD1-CB 3.84Å; I806-W952 HydrophobicContact CD1-CD2 4.2Å; I806-W952 HydrophobicContact CD1-CG 3.85Å; I806-W952 HydrophobicContact CG1-CB 4.24Å; I806-W952 HydrophobicContact CG1-CD2 3.59Å; I806-W952 HydrophobicContact CG1-CE3 3.96Å; I806-W952 HydrophobicContact CG1-CG 3.71Å; I806-W952 HydrophobicContact CG1-CZ2 4.32Å; I806-W952 HydrophobicContact CG1-CZ3 4.5Å; A815-W952 HydrophobicContact CB-CB 3.62Å; A815-W952 HydrophobicContact CB-CG 4.37Å; V948-W952 VanDerWaalsContact O-CB 3.32Å; V948-W952 WeakPolarHBondContact O-CB 3.41Å; V948-W952 PolarHBondContact O-N 2.87Å; L950-W952 PolarHBondContact O-N 3.08Å; W952-I954 VanDerWaalsContact C-N 3.29Å; W952-I954 PolarHBondContact O-N 3.27Å; W952-Q955 PolarHBondContact O-N 2.95Å; W952-R956 VanDerWaalsContact O-CB 3.29Å; W952-R956 WeakPolarHBondContact O-CB 3.46Å; W952-R956 PolarHBondContact O-N 3.2Å
953	R	93.5	Very high	89.7	Confident	8 Å²	8	24.6 Å²	24.6	3%	0.03	12%	0.122	C	C	.	.	H	α-helix	trans	-53.7	-47.2	175.3	-77.3	163.1	81.5	-176.4	5.1	111.1	D725 L801 D803 V949 L950 M957	D725-R953 IonicContact OD1-CZ 3.68Å; D725-R953 VanDerWaalsContact OD1-CZ 3.22Å; D725-R953 IonicContact OD1-NH1 2.64Å; D725-R953 PolarHBondContact OD1-NH1 3.4Å; D725-R953 IonicContact OD1-NH2 2.69Å; D725-R953 PolarHBondContact OD1-NH2 3.15Å; L801-R953 HydrophobicContact CD2-CB 4.06Å; L801-R953 WeakPolarHBondContact CD2-O 3.44Å; L801-R953 PolarHBondContact O-NE 2.83Å; L801-R953 PolarHBondContact O-NH2 3.32Å; D803-R953 WeakPolarHBondContact O-CG 3.33Å; V949-R953 WeakPolarHBondContact O-CB 3.18Å; V949-R953 WeakPolarHBondContact O-CD 3.26Å; V949-R953 WeakPolarHBondContact O-CG 3.41Å; V949-R953 PolarHBondContact O-N 3.39Å; L950-R953 WeakPolarHBondContact O-CB 3.4Å; L950-R953 PolarHBondContact O-N 3.38Å; R953-M957 VanDerWaalsContact O-CB 3.3Å; R953-M957 WeakPolarHBondContact O-CB 3.31Å; R953-M957 PolarHBondContact O-N 2.8Å
954	I	93.6	Very high	90.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.9	-47.9	179.1	-67.1	155.9	0	0	0	111.2	W696 V703 F818 L950 F951 W952 R956 M957 L958	W696-I954 HydrophobicContact CH2-CG2 4.47Å; W696-I954 HydrophobicContact CZ3-CG2 3.82Å; V703-I954 HydrophobicContact CG1-CD1 3.55Å; V703-I954 HydrophobicContact CG2-CD1 4.46Å; V703-I954 HydrophobicContact CG2-CG2 4.46Å; F818-I954 HydrophobicContact CE1-CG2 4.2Å; F818-I954 HydrophobicContact CZ-CG2 4.42Å; L950-I954 HydrophobicContact CD1-CD1 3.52Å; L950-I954 HydrophobicContact CD1-CG1 4.19Å; L950-I954 HydrophobicContact CG-CD1 3.87Å; L950-I954 WeakPolarHBondContact O-CD1 3.31Å; L950-I954 WeakPolarHBondContact O-CG1 3.32Å; L950-I954 PolarHBondContact O-N 3.46Å; F951-I954 PolarHBondContact O-N 3.46Å; W952-I954 VanDerWaalsContact C-N 3.29Å; W952-I954 PolarHBondContact O-N 3.27Å; I954-R956 PolarHBondContact O-N 3.25Å; I954-M957 PolarHBondContact O-N 3.16Å; I954-L958 HydrophobicContact CG2-CD1 4.03Å; I954-L958 HydrophobicContact CG2-CG 4.45Å; I954-L958 VanDerWaalsContact O-CG 3.28Å; I954-L958 WeakPolarHBondContact O-CG 3.24Å; I954-L958 PolarHBondContact O-N 3.28Å
955	Q	92.9	Very high	91.8	Very high	43 Å²	43	18.1 Å²	18.1	20%	0.201	9%	0.092	C	C	.	.	H	α-helix	trans	-57.9	-46.7	179.1	-168.4	-178.3	25	0	0	111.6	A814 A815 F818 F951 W952 L958 V959	A814-Q955 PolarHBondContact O-NE2 3.12Å; A815-Q955 VanDerWaalsContact CA-OE1 3.31Å; F818-Q955 HydrophobicContact CB-CG 4.45Å; F818-Q955 HydrophobicContact CD1-CB 3.73Å; F818-Q955 HydrophobicContact CD1-CG 4.06Å; F818-Q955 HydrophobicContact CE1-CB 3.9Å; F818-Q955 HydrophobicContact CE1-CG 4.46Å; F818-Q955 HydrophobicContact CG-CB 4.31Å; F818-Q955 HydrophobicContact CG-CG 4.12Å; F951-Q955 WeakPolarHBondContact O-CB 3.37Å; F951-Q955 PolarHBondContact O-N 3.46Å; W952-Q955 PolarHBondContact O-N 2.95Å; Q955-L958 PolarHBondContact O-N 2.71Å; Q955-V959 WeakPolarHBondContact O-CG2 3.32Å; Q955-V959 PolarHBondContact O-N 3.32Å; Q955-V959 VanDerWaalsContact O-N 3.11Å
956	R	92.3	Very high	92.2	Very high	79 Å²	79	19.4 Å²	19.4	30%	0.298	9%	0.094	S	C	.	.	H	α-helix	trans	-63.6	-43.3	176.4	177.2	169.7	166	-174.6	-13.5	112.1	D803 W952 I954 L958 V959 I960	D803-R956 IonicContact OD2-CZ 3.97Å; D803-R956 IonicContact OD2-NH1 3.46Å; D803-R956 PolarHBondContact OD2-NH1 3.35Å; D803-R956 IonicContact OD2-NH2 3.02Å; D803-R956 PolarHBondContact OD2-NH2 3.37Å; W952-R956 VanDerWaalsContact O-CB 3.29Å; W952-R956 WeakPolarHBondContact O-CB 3.46Å; W952-R956 PolarHBondContact O-N 3.2Å; I954-R956 PolarHBondContact O-N 3.25Å; R956-L958 VanDerWaalsContact C-N 3.33Å; R956-L958 PolarHBondContact O-N 3.24Å; R956-V959 PolarHBondContact O-N 2.85Å; R956-I960 HydrophobicContact CG-CD1 3.69Å; R956-I960 HydrophobicContact CG-CG1 4.45Å; R956-I960 WeakPolarHBondContact O-CB 3.45Å; R956-I960 VanDerWaalsContact O-CG1 3.3Å; R956-I960 WeakPolarHBondContact O-CG1 3.38Å; R956-I960 PolarHBondContact O-N 2.95Å
957	M	94.2	Very high	92.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.7	-41.6	174.1	175.6	-76.9	-65	0	0	112.1	W731 L736 Q797 A800 L801 R953 I954 T961	W731-M957 HydrophobicContact CH2-CE 3.69Å; W731-M957 HydrophobicContact CZ3-CE 3.93Å; L736-M957 HydrophobicContact CD1-CE 4.23Å; L736-M957 HydrophobicContact CD1-SD 4.15Å; L736-M957 HydrophobicContact CD2-CE 3.92Å; L736-M957 HydrophobicContact CD2-CG 4.23Å; L736-M957 HydrophobicContact CD2-SD 3.71Å; L736-M957 HydrophobicContact CG-SD 4.46Å; Q797-M957 HydrophobicContact CB-CG 4.42Å; Q797-M957 HydrophobicContact CG-CG 4.28Å; Q797-M957 HydrophobicContact CG-SD 4.41Å; A800-M957 HydrophobicContact CB-CB 4.19Å; L801-M957 HydrophobicContact CD1-CB 4.47Å; L801-M957 HydrophobicContact CD1-CG 3.95Å; L801-M957 HydrophobicContact CD2-CB 3.75Å; L801-M957 HydrophobicContact CD2-CG 4.13Å; L801-M957 HydrophobicContact CG-CB 3.84Å; L801-M957 HydrophobicContact CG-CG 3.81Å; R953-M957 VanDerWaalsContact O-CB 3.3Å; R953-M957 WeakPolarHBondContact O-CB 3.31Å; R953-M957 PolarHBondContact O-N 2.8Å; I954-M957 PolarHBondContact O-N 3.16Å; M957-T961 WeakPolarHBondContact O-CB 3.25Å; M957-T961 PolarHBondContact O-N 3.32Å; M957-T961 PolarHBondContact O-OG1 3.36Å; M957-T961 PolarHBondContact SD-OG1 2.71Å
958	L	93.9	Very high	92.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-47.2	178	-68.4	165.1	0	0	0	111.4	L695 W696 V699 F818 I954 Q955 R956 T961 A962	L695-L958 HydrophobicContact CB-CD2 4.38Å; L695-L958 HydrophobicContact CD2-CD2 3.67Å; L695-L958 HydrophobicContact CG-CD2 3.67Å; W696-L958 HydrophobicContact CB-CD1 4.4Å; W696-L958 HydrophobicContact CD2-CD1 4.08Å; W696-L958 HydrophobicContact CE3-CD1 3.52Å; W696-L958 HydrophobicContact CE3-CD2 4.42Å; W696-L958 HydrophobicContact CG-CD1 4.47Å; W696-L958 HydrophobicContact CZ3-CD1 4.16Å; V699-L958 HydrophobicContact CG2-CD2 4.15Å; F818-L958 HydrophobicContact CE2-CD1 4.48Å; F818-L958 HydrophobicContact CZ-CD1 3.86Å; I954-L958 HydrophobicContact CG2-CD1 4.03Å; I954-L958 HydrophobicContact CG2-CG 4.45Å; I954-L958 VanDerWaalsContact O-CG 3.28Å; I954-L958 WeakPolarHBondContact O-CG 3.24Å; I954-L958 PolarHBondContact O-N 3.28Å; Q955-L958 PolarHBondContact O-N 2.71Å; R956-L958 VanDerWaalsContact C-N 3.33Å; R956-L958 PolarHBondContact O-N 3.24Å; L958-T961 PolarHBondContact O-N 3.03Å; L958-A962 WeakPolarHBondContact O-CB 3.46Å; L958-A962 PolarHBondContact O-N 2.87Å
959	V	93.4	Very high	92.7	Very high	50 Å²	50	23.4 Å²	23.4	30%	0.303	11%	0.111	S	C	.	.	H	α-helix	trans	-64.3	-43.6	179	173.2	0	0	0	0	111.9	Q955 R956 N963	Q955-V959 WeakPolarHBondContact O-CG2 3.32Å; Q955-V959 PolarHBondContact O-N 3.32Å; Q955-V959 VanDerWaalsContact O-N 3.11Å; R956-V959 PolarHBondContact O-N 2.85Å; V959-N963 WeakPolarHBondContact O-CB 3.46Å; V959-N963 PolarHBondContact O-N 3.33Å; V959-N963 PolarHBondContact O-ND2 3.09Å; V959-N963 VanDerWaalsContact O-ND2 3.09Å
960	I	93.6	Very high	92.6	Very high	55 Å²	55	25 Å²	25	28%	0.282	12%	0.121	S	C	.	.	H	α-helix	trans	-68	-38.8	177.7	-66.7	172.3	0	0	0	110.8	I796 A800 R956 T964	I796-I960 HydrophobicContact CG2-CG2 3.44Å; I796-I960 VanDerWaalsContact CG2-CG2 3.44Å; A800-I960 HydrophobicContact CB-CD1 3.92Å; R956-I960 HydrophobicContact CG-CD1 3.69Å; R956-I960 HydrophobicContact CG-CG1 4.45Å; R956-I960 WeakPolarHBondContact O-CB 3.45Å; R956-I960 VanDerWaalsContact O-CG1 3.3Å; R956-I960 WeakPolarHBondContact O-CG1 3.38Å; R956-I960 PolarHBondContact O-N 2.95Å; I960-T964 WeakPolarHBondContact O-CB 3.4Å; I960-T964 PolarHBondContact O-N 2.87Å; I960-T964 PolarHBondContact O-OG1 3.28Å
961	T	94.4	Very high	92.3	Very high	1 Å²	1	29 Å²	29	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-64.2	-49.9	175.1	-62.8	0	0	0	0	110.8	L695 A740 L793 Q797 M957 L958 N963 T964 L965	L695-T961 HydrophobicContact CD2-CG2 3.55Å; A740-T961 HydrophobicContact CB-CG2 3.89Å; L793-T961 HydrophobicContact CD2-CG2 4.45Å; Q797-T961 WeakPolarHBondContact CG-OG1 3.42Å; Q797-T961 VanDerWaalsContact NE2-CG2 3.26Å; Q797-T961 PolarHBondContact NE2-OG1 3.04Å; Q797-T961 VanDerWaalsContact NE2-OG1 3.15Å; M957-T961 WeakPolarHBondContact O-CB 3.25Å; M957-T961 PolarHBondContact O-N 3.32Å; M957-T961 PolarHBondContact O-OG1 3.36Å; M957-T961 PolarHBondContact SD-OG1 2.71Å; L958-T961 PolarHBondContact O-N 3.03Å; T961-N963 VanDerWaalsContact C-N 3.32Å; T961-N963 PolarHBondContact O-N 3.14Å; T961-T964 PolarHBondContact O-N 2.82Å; T961-T964 VanDerWaalsContact O-N 3.13Å; T961-L965 HydrophobicContact CG2-CD1 3.72Å; T961-L965 HydrophobicContact CG2-CG 4.14Å; T961-L965 WeakPolarHBondContact O-CB 3.33Å; T961-L965 VanDerWaalsContact O-CG 3.32Å; T961-L965 WeakPolarHBondContact O-CG 3.43Å; T961-L965 PolarHBondContact O-N 3.47Å
962	A	94.7	Very high	92.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-42.2	178.5	0	0	0	0	0	111.7	E688 L691 Q692 L958 R966	E688-A962 HydrophobicContact CG-CB 4.31Å; L691-A962 HydrophobicContact CB-CB 4.12Å; Q692-A962 HydrophobicContact CB-CB 4.07Å; L958-A962 WeakPolarHBondContact O-CB 3.46Å; L958-A962 PolarHBondContact O-N 2.87Å; A962-R966 WeakPolarHBondContact O-CB 3.22Å; A962-R966 PolarHBondContact O-N 3.37Å
963	N	93.8	Very high	91.9	Very high	40 Å²	40	31.5 Å²	31.5	21%	0.214	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-42.7	173.4	-94.2	-76.6	0	0	0	113.4	E688 V959 T961 Q967	E688-N963 PolarHBondContact OE1-ND2 2.99Å; E688-N963 PolarHBondContact OE2-OD1 3.01Å; V959-N963 WeakPolarHBondContact O-CB 3.46Å; V959-N963 PolarHBondContact O-N 3.33Å; V959-N963 PolarHBondContact O-ND2 3.09Å; V959-N963 VanDerWaalsContact O-ND2 3.09Å; T961-N963 VanDerWaalsContact C-N 3.32Å; T961-N963 PolarHBondContact O-N 3.14Å; N963-Q967 WeakPolarHBondContact O-CG 3.39Å; N963-Q967 PolarHBondContact O-N 3Å
964	T	92.8	Very high	91.7	Very high	18 Å²	18	31.4 Å²	31.4	11%	0.11	16%	0.159	C	C	.	.	H	α-helix	trans	-66.3	-47	179.2	-57	0	0	0	0	111	L793 I796 I960 T961 Q967 Q968	L793-T964 HydrophobicContact CD2-CG2 3.83Å; I796-T964 HydrophobicContact CD1-CG2 3.69Å; I960-T964 WeakPolarHBondContact O-CB 3.4Å; I960-T964 PolarHBondContact O-N 2.87Å; I960-T964 PolarHBondContact O-OG1 3.28Å; T961-T964 PolarHBondContact O-N 2.82Å; T961-T964 VanDerWaalsContact O-N 3.13Å; T964-Q967 PolarHBondContact O-N 3.42Å; T964-Q968 WeakPolarHBondContact O-CG 3.03Å; T964-Q968 PolarHBondContact O-N 3.47Å
965	L	93.5	Very high	91.4	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-60.4	-45.5	175.7	-70.8	173.3	0	0	0	111.3	L691 A740 A744 L793 T961 Q967 Q968 L969	L691-L965 HydrophobicContact CD1-CB 4.03Å; L691-L965 HydrophobicContact CD2-CB 4.41Å; L691-L965 HydrophobicContact CD2-CD1 4.34Å; A740-L965 HydrophobicContact CB-CD1 4.26Å; A740-L965 WeakPolarHBondContact O-CD1 3.4Å; A744-L965 HydrophobicContact CB-CB 4.46Å; A744-L965 HydrophobicContact CB-CD1 4.15Å; A744-L965 HydrophobicContact CB-CD2 3.81Å; A744-L965 HydrophobicContact CB-CG 4.36Å; L793-L965 HydrophobicContact CD1-CD2 3.68Å; L793-L965 HydrophobicContact CD2-CD2 3.9Å; L793-L965 HydrophobicContact CD2-CG 4.15Å; L793-L965 HydrophobicContact CG-CD2 4.42Å; T961-L965 HydrophobicContact CG2-CD1 3.72Å; T961-L965 HydrophobicContact CG2-CG 4.14Å; T961-L965 WeakPolarHBondContact O-CB 3.33Å; T961-L965 VanDerWaalsContact O-CG 3.32Å; T961-L965 WeakPolarHBondContact O-CG 3.43Å; T961-L965 PolarHBondContact O-N 3.47Å; L965-Q967 VanDerWaalsContact C-N 3.34Å; L965-Q967 PolarHBondContact O-N 2.9Å; L965-Q968 PolarHBondContact O-N 3.24Å; L965-L969 WeakPolarHBondContact O-CB 3.48Å; L965-L969 PolarHBondContact O-N 3.01Å
966	R	93.2	Very high	91.3	Very high	42 Å²	42	40.6 Å²	40.6	16%	0.158	19%	0.192	C	C	.	.	H	α-helix	trans	-56	-46.5	174.2	-177.4	-166.7	64	66.4	-5.2	111.7	P684 W687 L691 A962 L969 T970	P684-R966 WeakPolarHBondContact O-CD 3.28Å; W687-R966 HydrophobicContact CB-CG 3.87Å; L691-R966 HydrophobicContact CD1-CB 4.1Å; A962-R966 WeakPolarHBondContact O-CB 3.22Å; A962-R966 PolarHBondContact O-N 3.37Å; R966-L969 PolarHBondContact O-N 3.46Å; R966-T970 WeakPolarHBondContact O-CB 3.09Å; R966-T970 PolarHBondContact O-N 3.45Å; R966-T970 PolarHBondContact O-OG1 3.12Å; R966-T970 VanDerWaalsContact O-OG1 3.07Å
967	Q	91.3	Very high	91.2	Very high	100 Å²	100	37 Å²	37	47%	0.467	18%	0.178	S	C	.	.	H	α-helix	trans	-62.3	-43.1	178	-72.9	177.1	31.6	0	0	112.2	N963 T964 L965 N971	N963-Q967 WeakPolarHBondContact O-CG 3.39Å; N963-Q967 PolarHBondContact O-N 3Å; T964-Q967 PolarHBondContact O-N 3.42Å; L965-Q967 VanDerWaalsContact C-N 3.34Å; L965-Q967 PolarHBondContact O-N 2.9Å; Q967-N971 WeakPolarHBondContact O-CB 3.33Å; Q967-N971 VanDerWaalsContact O-CG 3.28Å; Q967-N971 PolarHBondContact O-N 3.49Å; Q967-N971 VanDerWaalsContact O-N 3.11Å; Q967-N971 PolarHBondContact O-ND2 3.3Å
968	Q	90.6	Very high	91	Very high	33 Å²	33	40.6 Å²	40.6	15%	0.154	20%	0.195	C	C	.	.	H	α-helix	trans	-64.4	-44	175.8	-67.9	175.4	4.9	0	0	111.7	T964 L965 T972 E973	T964-Q968 WeakPolarHBondContact O-CG 3.03Å; T964-Q968 PolarHBondContact O-N 3.47Å; L965-Q968 PolarHBondContact O-N 3.24Å; Q968-T972 WeakPolarHBondContact O-CA 3.37Å; Q968-T972 WeakPolarHBondContact O-CB 3.47Å; Q968-T972 PolarHBondContact O-N 2.77Å; Q968-E973 PolarHBondContact O-N 3.3Å; Q968-E973 VanDerWaalsContact O-N 3.12Å
969	L	89.7	Confident	90.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-64	-55.7	-178.7	-173.6	152.4	0	0	0	111.2	W687 L748 W785 L965 R966 E973 V974	W687-L969 HydrophobicContact CD2-CD2 3.69Å; W687-L969 HydrophobicContact CE3-CD1 3.88Å; W687-L969 HydrophobicContact CE3-CD2 3.83Å; W687-L969 HydrophobicContact CG-CD2 4.42Å; W687-L969 HydrophobicContact CH2-CD1 4.19Å; W687-L969 HydrophobicContact CH2-CD2 3.75Å; W687-L969 HydrophobicContact CZ2-CD2 3.6Å; W687-L969 HydrophobicContact CZ3-CD1 3.68Å; W687-L969 HydrophobicContact CZ3-CD2 3.86Å; W687-L969 HydrophobicContact CZ3-CG 4.45Å; L748-L969 HydrophobicContact CB-CD1 4.11Å; L748-L969 HydrophobicContact CD1-CD1 4.49Å; L748-L969 HydrophobicContact CD1-CD2 4.45Å; L748-L969 HydrophobicContact CD1-CG 4.39Å; W785-L969 HydrophobicContact CH2-CB 4.4Å; W785-L969 HydrophobicContact CH2-CD1 4.45Å; L965-L969 WeakPolarHBondContact O-CB 3.48Å; L965-L969 PolarHBondContact O-N 3.01Å; R966-L969 PolarHBondContact O-N 3.46Å; L969-E973 PolarHBondContact O-N 3.12Å; L969-V974 HydrophobicContact CD2-CG2 3.59Å; L969-V974 HydrophobicContact CG-CG2 4.28Å; L969-V974 WeakPolarHBondContact O-CG2 3.44Å; L969-V974 PolarHBondContact O-N 3.33Å
970	T	86.4	Confident	90.8	Very high	42 Å²	42	44.2 Å²	44.2	26%	0.258	21%	0.208	S	C	.	.	I	π-helix	trans	-66.9	-40.8	-177.9	-49.7	0	0	0	0	112.6	R966	R966-T970 WeakPolarHBondContact O-CB 3.09Å; R966-T970 PolarHBondContact O-N 3.45Å; R966-T970 PolarHBondContact O-OG1 3.12Å; R966-T970 VanDerWaalsContact O-OG1 3.07Å
971	N	86.5	Confident	90.7	Very high	89 Å²	89	41.6 Å²	41.6	48%	0.476	19%	0.194	S	C	.	.	I	π-helix	trans	-84.1	-26.6	-173.4	-64.4	-25.6	0	0	0	113.8	Q967 R975	Q967-N971 WeakPolarHBondContact O-CB 3.33Å; Q967-N971 VanDerWaalsContact O-CG 3.28Å; Q967-N971 PolarHBondContact O-N 3.49Å; Q967-N971 VanDerWaalsContact O-N 3.11Å; Q967-N971 PolarHBondContact O-ND2 3.3Å; N971-R975 WeakPolarHBondContact O-CD 3.26Å
972	T	87.3	Confident	90.6	Very high	58 Å²	58	46.9 Å²	46.9	36%	0.356	22%	0.217	S	C	.	.	I	π-helix	trans	-127.9	-56.1	-170	-55.1	0	0	0	0	112.7	Q968 R975 R976	Q968-T972 WeakPolarHBondContact O-CA 3.37Å; Q968-T972 WeakPolarHBondContact O-CB 3.47Å; Q968-T972 PolarHBondContact O-N 2.77Å; T972-R975 PolarHBondContact O-N 2.72Å; T972-R976 PolarHBondContact O-N 3.46Å
973	E	89.1	Confident	90.6	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.009	24%	0.235	C	C	.	.	I	π-helix	trans	-79.5	-31	-165.8	-56.4	-60.6	167.2	0	0	113.9	L748 H783 W785 N786 Q968 L969 R976 L977	L748-E973 HydrophobicContact CD2-CB 4.1Å; H783-E973 IonicContact CE1-OE2 2.74Å; H783-E973 PolarHBondContact CE1-OE2 3.24Å; H783-E973 IonicContact NE2-OE2 3.3Å; W785-E973 HydrophobicContact CD2-CG 3.94Å; W785-E973 HydrophobicContact CE3-CB 4.39Å; W785-E973 HydrophobicContact CE3-CG 4Å; W785-E973 HydrophobicContact CH2-CB 4.34Å; W785-E973 HydrophobicContact CH2-CG 4.06Å; W785-E973 HydrophobicContact CZ2-CG 3.99Å; W785-E973 HydrophobicContact CZ3-CB 4.16Å; W785-E973 HydrophobicContact CZ3-CG 4.06Å; N786-E973 VanDerWaalsContact CB-OE1 3.28Å; N786-E973 WeakPolarHBondContact CB-OE1 3.17Å; N786-E973 PolarHBondContact N-OE1 3.36Å; Q968-E973 PolarHBondContact O-N 3.3Å; Q968-E973 VanDerWaalsContact O-N 3.12Å; L969-E973 PolarHBondContact O-N 3.12Å; E973-R976 PolarHBondContact O-N 3.31Å; E973-R976 IonicContact OE1-CZ 2.76Å; E973-R976 IonicContact OE1-NH1 3.97Å; E973-R976 PolarHBondContact OE1-NH1 2.65Å; E973-R976 IonicContact OE1-NH2 2.79Å; E973-R976 PolarHBondContact OE1-NH2 3.23Å; E973-R976 WeakPolarHBondContact OE2-CD 3.3Å; E973-R976 IonicContact OE2-CZ 3.75Å; E973-R976 IonicContact OE2-NE 2.63Å; E973-R976 IonicContact OE2-NH1 2.74Å; E973-R976 PolarHBondContact OE2-NH1 2.83Å; E973-R976 IonicContact OE2-NH2 3.94Å; E973-L977 WeakPolarHBondContact O-CB 3.45Å; E973-L977 PolarHBondContact O-N 3.44Å
974	V	87.9	Confident	90.6	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.036	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-43.9	168.5	170.1	0	0	0	0	110.9	L748 L969 R976 L977 E978	L748-V974 HydrophobicContact CD1-CG2 3.86Å; L969-V974 HydrophobicContact CD2-CG2 3.59Å; L969-V974 HydrophobicContact CG-CG2 4.28Å; L969-V974 WeakPolarHBondContact O-CG2 3.44Å; L969-V974 PolarHBondContact O-N 3.33Å; V974-R976 VanDerWaalsContact C-N 3.33Å; V974-R976 PolarHBondContact O-N 2.88Å; V974-L977 PolarHBondContact O-N 2.72Å; V974-E978 WeakPolarHBondContact O-CB 3.21Å; V974-E978 PolarHBondContact O-N 3.31Å
975	R	87.8	Confident	90.5	Very high	163 Å²	163	48 Å²	48	62%	0.615	22%	0.22	S	C	*	.	H	α-helix	trans	-66.8	-33.2	176.3	-64.1	-178	-177.7	167.2	-2.9	112.6	N971 T972 K979	N971-R975 WeakPolarHBondContact O-CD 3.26Å; T972-R975 PolarHBondContact O-N 2.72Å; R975-K979 WeakPolarHBondContact O-CB 3.43Å; R975-K979 PolarHBondContact O-N 3.07Å
976	R	90.1	Very high	90.5	Very high	73 Å²	73	51 Å²	51	28%	0.275	24%	0.236	S	C	.	.	H	α-helix	trans	-66.8	-42.9	171.7	-175.1	176.6	-63.2	141.3	21.4	110.9	K784 N786 T972 E973 V974 K979 N980	K784-R976 VanDerWaalsContact O-CD 3.29Å; K784-R976 WeakPolarHBondContact O-CD 3.31Å; K784-R976 PolarHBondContact O-NH1 3.48Å; N786-R976 VanDerWaalsContact N-NH1 3.1Å; T972-R976 PolarHBondContact O-N 3.46Å; E973-R976 PolarHBondContact O-N 3.31Å; E973-R976 IonicContact OE1-CZ 2.76Å; E973-R976 IonicContact OE1-NH1 3.97Å; E973-R976 PolarHBondContact OE1-NH1 2.65Å; E973-R976 IonicContact OE1-NH2 2.79Å; E973-R976 PolarHBondContact OE1-NH2 3.23Å; E973-R976 WeakPolarHBondContact OE2-CD 3.3Å; E973-R976 IonicContact OE2-CZ 3.75Å; E973-R976 IonicContact OE2-NE 2.63Å; E973-R976 IonicContact OE2-NH1 2.74Å; E973-R976 PolarHBondContact OE2-NH1 2.83Å; E973-R976 IonicContact OE2-NH2 3.94Å; V974-R976 VanDerWaalsContact C-N 3.33Å; V974-R976 PolarHBondContact O-N 2.88Å; R976-K979 PolarHBondContact O-N 2.58Å; R976-N980 WeakPolarHBondContact O-CB 3.3Å; R976-N980 VanDerWaalsContact O-CG 3.26Å; R976-N980 PolarHBondContact O-N 3.13Å; R976-N980 PolarHBondContact O-OD1 3.45Å; R976-N980 VanDerWaalsContact O-OD1 3.13Å
977	L	90.6	Very high	90.4	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-43.6	176	-176	60.9	0	0	0	111.5	L679 L748 F752 E973 V974 K979 N980 V981	L679-L977 HydrophobicContact CD2-CD2 4.11Å; L748-L977 HydrophobicContact CD1-CD2 4.07Å; L748-L977 HydrophobicContact CD2-CD2 4.44Å; L748-L977 HydrophobicContact CG-CD2 4.1Å; F752-L977 HydrophobicContact CB-CD2 3.99Å; F752-L977 HydrophobicContact CD1-CD2 4.16Å; F752-L977 HydrophobicContact CD2-CD2 4.11Å; F752-L977 HydrophobicContact CE1-CD1 4.44Å; F752-L977 HydrophobicContact CG-CD2 3.83Å; E973-L977 WeakPolarHBondContact O-CB 3.45Å; E973-L977 PolarHBondContact O-N 3.44Å; V974-L977 PolarHBondContact O-N 2.72Å; L977-K979 PolarHBondContact O-N 2.71Å; L977-N980 WeakPolarHBondContact O-CB 3.38Å; L977-N980 PolarHBondContact O-N 3.4Å; L977-V981 HydrophobicContact CD1-CG2 4.49Å; L977-V981 WeakPolarHBondContact O-CG2 3.34Å; L977-V981 PolarHBondContact O-N 2.85Å
978	E	89.8	Confident	90.4	Very high	77 Å²	77	48.4 Å²	48.4	36%	0.36	23%	0.227	S	C	.	.	H	α-helix	trans	-56	-49.5	173.2	179	-169.5	166.9	0	0	112	V676 V974 N980 V981 K982	V676-E978 HydrophobicContact CG1-CB 3.74Å; V676-E978 HydrophobicContact CG1-CG 3.8Å; V974-E978 WeakPolarHBondContact O-CB 3.21Å; V974-E978 PolarHBondContact O-N 3.31Å; E978-N980 VanDerWaalsContact C-N 3.34Å; E978-N980 PolarHBondContact O-N 3.3Å; E978-V981 PolarHBondContact O-N 3.21Å; E978-K982 PolarHBondContact O-N 3.18Å
979	K	90.8	Very high	90.3	Very high	111 Å²	111	47.7 Å²	47.7	48%	0.483	23%	0.229	S	C	.	.	H	α-helix	trans	-59.3	-43.9	175.2	-177.9	177.9	174.5	-68.8	0	111.9	R975 R976 L977 K982 E983	R975-K979 WeakPolarHBondContact O-CB 3.43Å; R975-K979 PolarHBondContact O-N 3.07Å; R976-K979 PolarHBondContact O-N 2.58Å; L977-K979 PolarHBondContact O-N 2.71Å; K979-K982 PolarHBondContact O-N 2.73Å; K979-E983 WeakPolarHBondContact CE-OE1 3.48Å; K979-E983 IonicContact NZ-OE1 2.65Å; K979-E983 PolarHBondContact NZ-OE1 3.03Å; K979-E983 IonicContact NZ-OE2 2.68Å; K979-E983 PolarHBondContact NZ-OE2 3.21Å; K979-E983 WeakPolarHBondContact O-CG 3.32Å; K979-E983 PolarHBondContact O-N 2.94Å
980	N	92	Very high	90.3	Very high	16 Å²	16	55.7 Å²	55.7	9%	0.086	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-44.9	178	-75.3	14.8	0	0	0	112.2	R782 H783 R976 L977 E978 K982 E983 V984	R782-N980 PolarHBondContact O-ND2 3.49Å; H783-N980 VanDerWaalsContact CA-ND2 3.32Å; H783-N980 WeakPolarHBondContact CA-ND2 3.17Å; H783-N980 PolarHBondContact N-ND2 3.03Å; R976-N980 WeakPolarHBondContact O-CB 3.3Å; R976-N980 VanDerWaalsContact O-CG 3.26Å; R976-N980 PolarHBondContact O-N 3.13Å; R976-N980 PolarHBondContact O-OD1 3.45Å; R976-N980 VanDerWaalsContact O-OD1 3.13Å; L977-N980 WeakPolarHBondContact O-CB 3.38Å; L977-N980 PolarHBondContact O-N 3.4Å; E978-N980 VanDerWaalsContact C-N 3.34Å; E978-N980 PolarHBondContact O-N 3.3Å; N980-K982 VanDerWaalsContact C-N 3.3Å; N980-K982 PolarHBondContact O-N 3.47Å; N980-E983 PolarHBondContact O-N 3.42Å; N980-V984 WeakPolarHBondContact O-CG2 3.22Å; N980-V984 PolarHBondContact O-N 2.77Å
981	V	92.6	Very high	90.4	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-42.9	176.8	170.9	0	0	0	0	110.4	I672 V676 F752 V775 S779 L977 E978 V984 L985	I672-V981 HydrophobicContact CG2-CG1 3.9Å; V676-V981 HydrophobicContact CG2-CB 4.31Å; V676-V981 HydrophobicContact CG2-CG1 3.97Å; V676-V981 HydrophobicContact CG2-CG2 4.16Å; F752-V981 HydrophobicContact CE2-CG2 4.05Å; F752-V981 HydrophobicContact CZ-CG2 3.75Å; V775-V981 HydrophobicContact CG1-CG1 3.81Å; S779-V981 WeakPolarHBondContact OG-CA 3.38Å; S779-V981 WeakPolarHBondContact OG-CG2 3.44Å; L977-V981 HydrophobicContact CD1-CG2 4.49Å; L977-V981 WeakPolarHBondContact O-CG2 3.34Å; L977-V981 PolarHBondContact O-N 2.85Å; E978-V981 PolarHBondContact O-N 3.21Å; V981-V984 PolarHBondContact O-N 2.92Å; V981-L985 HydrophobicContact CG1-CD1 3.78Å; V981-L985 HydrophobicContact CG1-CG 4.38Å; V981-L985 WeakPolarHBondContact O-CB 3.45Å; V981-L985 WeakPolarHBondContact O-CG 3.39Å; V981-L985 PolarHBondContact O-N 3.22Å
982	K	92.7	Very high	90.2	Very high	111 Å²	111	55.7 Å²	55.7	48%	0.483	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-46.3	175.2	-176.5	175.2	177.3	178.7	0	112.4	L673 E978 K979 N980 V984 L985 D986	L673-K982 HydrophobicContact CD2-CB 4.35Å; E978-K982 PolarHBondContact O-N 3.18Å; K979-K982 PolarHBondContact O-N 2.73Å; N980-K982 VanDerWaalsContact C-N 3.3Å; N980-K982 PolarHBondContact O-N 3.47Å; K982-V984 VanDerWaalsContact C-N 3.31Å; K982-V984 PolarHBondContact O-N 3.17Å; K982-L985 PolarHBondContact O-N 2.68Å; K982-D986 WeakPolarHBondContact CE-OD2 3.43Å; K982-D986 PolarHBondContact O-N 2.76Å
983	E	93.3	Very high	90.1	Very high	82 Å²	82	59.8 Å²	59.8	38%	0.383	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-36.3	177.6	-73.4	175.2	156	0	0	112.1	K979 N980 D987	K979-E983 WeakPolarHBondContact CE-OE1 3.48Å; K979-E983 IonicContact NZ-OE1 2.65Å; K979-E983 PolarHBondContact NZ-OE1 3.03Å; K979-E983 IonicContact NZ-OE2 2.68Å; K979-E983 PolarHBondContact NZ-OE2 3.21Å; K979-E983 WeakPolarHBondContact O-CG 3.32Å; K979-E983 PolarHBondContact O-N 2.94Å; N980-E983 PolarHBondContact O-N 3.42Å; E983-D987 WeakPolarHBondContact O-CB 3.46Å; E983-D987 VanDerWaalsContact O-CG 3.25Å; E983-D987 PolarHBondContact O-N 3Å
984	V	93.8	Very high	89.9	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.5	-39.8	172.8	173.1	0	0	0	0	112	V775 E778 N980 V981 K982 F988	V775-V984 HydrophobicContact CB-CG1 4.36Å; V775-V984 HydrophobicContact CG1-CG1 4.25Å; V775-V984 HydrophobicContact CG2-CG1 4.18Å; E778-V984 HydrophobicContact CB-CG1 4.06Å; E778-V984 HydrophobicContact CB-CG2 4.3Å; E778-V984 HydrophobicContact CG-CG1 4.09Å; E778-V984 HydrophobicContact CG-CG2 3.82Å; N980-V984 WeakPolarHBondContact O-CG2 3.22Å; N980-V984 PolarHBondContact O-N 2.77Å; V981-V984 PolarHBondContact O-N 2.92Å; K982-V984 VanDerWaalsContact C-N 3.31Å; K982-V984 PolarHBondContact O-N 3.17Å; V984-F988 HydrophobicContact CG1-CD1 4.3Å; V984-F988 HydrophobicContact CG1-CD2 4.26Å; V984-F988 HydrophobicContact CG1-CE1 3.97Å; V984-F988 HydrophobicContact CG1-CE2 3.93Å; V984-F988 HydrophobicContact CG1-CG 4.44Å; V984-F988 HydrophobicContact CG1-CZ 3.78Å; V984-F988 WeakPolarHBondContact O-CB 3.47Å; V984-F988 WeakPolarHBondContact O-CD1 3.24Å; V984-F988 VanDerWaalsContact O-CG 3.27Å; V984-F988 WeakPolarHBondContact O-CG 3.38Å; V984-F988 PolarHBondContact O-N 2.94Å
985	L	92.4	Very high	89.9	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70	-33.7	176.7	-75.5	167.4	0	0	0	113	F665 K669 I672 L673 V775 V981 K982 G989	F665-L985 WeakPolarHBondContact CE1-O 3.47Å; F665-L985 HydrophobicContact CZ-CD2 4.47Å; F665-L985 VanDerWaalsContact CZ-O 3.25Å; F665-L985 WeakPolarHBondContact CZ-O 3.3Å; K669-L985 HydrophobicContact CG-CB 4.22Å; K669-L985 HydrophobicContact CG-CD1 4.18Å; K669-L985 HydrophobicContact CG-CD2 4.41Å; I672-L985 HydrophobicContact CB-CD1 4.29Å; I672-L985 HydrophobicContact CD1-CD2 4.11Å; I672-L985 HydrophobicContact CG2-CD1 3.9Å; L673-L985 HydrophobicContact CD2-CD1 4.14Å; L673-L985 HydrophobicContact CG-CD1 4.06Å; V775-L985 HydrophobicContact CG1-CD2 4.28Å; V775-L985 HydrophobicContact CG1-CG 4.15Å; V775-L985 HydrophobicContact CG2-CD2 3.69Å; V775-L985 HydrophobicContact CG2-CG 4.28Å; V981-L985 HydrophobicContact CG1-CD1 3.78Å; V981-L985 HydrophobicContact CG1-CG 4.38Å; V981-L985 WeakPolarHBondContact O-CB 3.45Å; V981-L985 WeakPolarHBondContact O-CG 3.39Å; V981-L985 PolarHBondContact O-N 3.22Å; K982-L985 PolarHBondContact O-N 2.68Å; L985-G989 PolarHBondContact O-N 2.96Å
986	D	92	Very high	89.7	Confident	63 Å²	63	58.2 Å²	58.2	34%	0.337	29%	0.292	S	S	.	.	H	α-helix	trans	-72.8	-45.1	174.3	-71.8	-31.3	0	0	0	110.2	K669 K982 F988 G989 E990	K669-D986 WeakPolarHBondContact CE-OD1 3.38Å; K669-D986 IonicContact NZ-OD1 2.67Å; K669-D986 PolarHBondContact NZ-OD1 2.04Å; K982-D986 WeakPolarHBondContact CE-OD2 3.43Å; K982-D986 PolarHBondContact O-N 2.76Å; D986-F988 PolarHBondContact O-N 3.45Å; D986-G989 WeakPolarHBondContact O-CA 3.26Å; D986-G989 PolarHBondContact O-N 3.02Å; D986-E990 PolarHBondContact O-N 2.8Å; D986-E990 VanDerWaalsContact O-N 3.13Å
987	D	91.8	Very high	89.6	Confident	72 Å²	72	60.9 Å²	60.9	39%	0.385	31%	0.307	S	S	.	.	H	α-helix	trans	-55.9	-44.7	172.3	-79.2	-4.7	0	0	0	112.9	R782 E983 G989 D991	R782-D987 IonicContact CZ-OD2 3.78Å; R782-D987 IonicContact NH1-OD2 3.33Å; R782-D987 PolarHBondContact NH1-OD2 3.37Å; R782-D987 IonicContact NH2-OD2 2.71Å; R782-D987 PolarHBondContact NH2-OD2 3.35Å; E983-D987 WeakPolarHBondContact O-CB 3.46Å; E983-D987 VanDerWaalsContact O-CG 3.25Å; E983-D987 PolarHBondContact O-N 3Å; D987-G989 VanDerWaalsContact C-N 3.26Å; D987-D991 PolarHBondContact O-N 3.19Å
988	F	91.3	Very high	89.4	Confident	16 Å²	16	62 Å²	62	7%	0.07	31%	0.313	C	S	.	.	H	α-helix	trans	-73.5	-21.6	177.2	-72.3	12.4	0	0	0	111.6	F665 L771 A774 V775 E778 V984 D986 K994 K995 L998	F665-F988 HydrophobicContact CE2-CB 3.99Å; F665-F988 HydrophobicContact CZ-CB 3.87Å; L771-F988 HydrophobicContact CD1-CD2 3.94Å; A774-F988 HydrophobicContact CB-CE2 3.96Å; V775-F988 HydrophobicContact CG2-CD2 3.9Å; V775-F988 HydrophobicContact CG2-CE2 3.94Å; E778-F988 HydrophobicContact CB-CZ 4.3Å; E778-F988 HydrophobicContact CG-CZ 4.46Å; V984-F988 HydrophobicContact CG1-CD1 4.3Å; V984-F988 HydrophobicContact CG1-CD2 4.26Å; V984-F988 HydrophobicContact CG1-CE1 3.97Å; V984-F988 HydrophobicContact CG1-CE2 3.93Å; V984-F988 HydrophobicContact CG1-CG 4.44Å; V984-F988 HydrophobicContact CG1-CZ 3.78Å; V984-F988 WeakPolarHBondContact O-CB 3.47Å; V984-F988 WeakPolarHBondContact O-CD1 3.24Å; V984-F988 VanDerWaalsContact O-CG 3.27Å; V984-F988 WeakPolarHBondContact O-CG 3.38Å; V984-F988 PolarHBondContact O-N 2.94Å; D986-F988 PolarHBondContact O-N 3.45Å; F988-K994 HydrophobicContact CD1-CD 3.59Å; F988-K994 HydrophobicContact CE1-CD 3.75Å; F988-K994 HydrophobicContact CG-CD 4.25Å; F988-K994 HydrophobicContact CZ-CD 4.5Å; F988-K995 VanDerWaalsContact O-CG 3.25Å; F988-K995 WeakPolarHBondContact O-CG 3.42Å; F988-L998 HydrophobicContact CD2-CD1 3.69Å; F988-L998 HydrophobicContact CE2-CD1 3.85Å; F988-L998 HydrophobicContact CG-CD1 4.5Å
989	G	88.1	Confident	89.2	Confident	19 Å²	19	58.4 Å²	58.4	20%	0.196	30%	0.296	C	S	.	.	H	α-helix	trans	-72.6	-34.5	175.7	0	0	0	0	0	113	F665 L985 D986 D987 K995	F665-G989 VanDerWaalsContact CE1-CA 3.43Å; L985-G989 PolarHBondContact O-N 2.96Å; D986-G989 WeakPolarHBondContact O-CA 3.26Å; D986-G989 PolarHBondContact O-N 3.02Å; D987-G989 VanDerWaalsContact C-N 3.26Å; G989-K995 VanDerWaalsContact O-CE 3.26Å; G989-K995 WeakPolarHBondContact O-CE 3.33Å; G989-K995 PolarHBondContact O-NZ 3.42Å
990	E	89.4	Confident	88.8	Confident	168 Å²	168	55.6 Å²	55.6	79%	0.785	29%	0.289	S	S	*	.	H	α-helix	trans	-76.3	-42.2	173.9	-63.3	-169.7	169.6	0	0	111.7	D986 S992	D986-E990 PolarHBondContact O-N 2.8Å; D986-E990 VanDerWaalsContact O-N 3.13Å; E990-S992 PolarHBondContact O-N 3.24Å; E990-S992 VanDerWaalsContact O-N 3.1Å
991	D	89	Confident	88.4	Confident	49 Å²	49	56 Å²	56	26%	0.262	30%	0.297	S	S	.	.			trans	-71.8	104.3	-176.3	-169	-36.6	0	0	0	113.1	D987 E993 K994 K995	D987-D991 PolarHBondContact O-N 3.19Å; D991-E993 WeakPolarHBondContact OD1-CA 3.45Å; D991-E993 PolarHBondContact OD1-N 3.06Å; D991-K994 HydrophobicContact CB-CB 4Å; D991-K994 HydrophobicContact CB-CD 4.12Å; D991-K994 HydrophobicContact CB-CG 4.12Å; D991-K994 PolarHBondContact OD1-N 2.98Å; D991-K994 WeakPolarHBondContact OD2-CG 3.35Å; D991-K994 IonicContact OD2-NZ 2.86Å; D991-K994 PolarHBondContact OD2-NZ 3.05Å; D991-K995 WeakPolarHBondContact O-CE 3.34Å; D991-K995 WeakPolarHBondContact O-CG 3.27Å; D991-K995 PolarHBondContact O-N 3.32Å; D991-K995 VanDerWaalsContact O-N 3.09Å
992	S	82.5	Confident	87.9	Confident	82 Å²	82	63.3 Å²	63.3	57%	0.573	33%	0.325	S	S	*	.	H	α-helix	trans	-76.1	-21.1	-177.7	-62.9	0	0	0	0	114.1	E990 A996	E990-S992 PolarHBondContact O-N 3.24Å; E990-S992 VanDerWaalsContact O-N 3.1Å; S992-A996 PolarHBondContact O-N 2.77Å
993	E	85.8	Confident	87.6	Confident	144 Å²	144	59.4 Å²	59.4	67%	0.673	31%	0.307	S	S	*	.	H	α-helix	trans	-76.7	-44.7	172.7	-66.6	-169	-175.3	0	0	110.8	D991 K995 A996 Q997	D991-E993 WeakPolarHBondContact OD1-CA 3.45Å; D991-E993 PolarHBondContact OD1-N 3.06Å; E993-K995 VanDerWaalsContact C-N 3.34Å; E993-K995 PolarHBondContact O-N 3.29Å; E993-A996 WeakPolarHBondContact O-CB 3.3Å; E993-A996 PolarHBondContact O-N 2.91Å; E993-A996 VanDerWaalsContact O-N 3.08Å; E993-Q997 WeakPolarHBondContact O-CG 3.44Å; E993-Q997 PolarHBondContact O-N 3.47Å
994	K	84.2	Confident	87.3	Confident	80 Å²	80	55.5 Å²	55.5	35%	0.348	29%	0.289	S	S	.	.	H	α-helix	trans	-58.6	-44.5	173.1	-74.3	-173	-168.1	91.4	0	111.3	F988 D991 A996 Q997 L998	F988-K994 HydrophobicContact CD1-CD 3.59Å; F988-K994 HydrophobicContact CE1-CD 3.75Å; F988-K994 HydrophobicContact CG-CD 4.25Å; F988-K994 HydrophobicContact CZ-CD 4.5Å; D991-K994 HydrophobicContact CB-CB 4Å; D991-K994 HydrophobicContact CB-CD 4.12Å; D991-K994 HydrophobicContact CB-CG 4.12Å; D991-K994 PolarHBondContact OD1-N 2.98Å; D991-K994 WeakPolarHBondContact OD2-CG 3.35Å; D991-K994 IonicContact OD2-NZ 2.86Å; D991-K994 PolarHBondContact OD2-NZ 3.05Å; K994-A996 VanDerWaalsContact C-N 3.27Å; K994-A996 PolarHBondContact O-N 3.25Å; K994-Q997 PolarHBondContact O-N 3.35Å; K994-Q997 VanDerWaalsContact O-N 3.14Å; K994-L998 HydrophobicContact CB-CD1 4.45Å; K994-L998 WeakPolarHBondContact O-CB 3.32Å; K994-L998 VanDerWaalsContact O-CG 3.27Å; K994-L998 WeakPolarHBondContact O-CG 3.31Å; K994-L998 PolarHBondContact O-N 3.27Å
995	K	87.5	Confident	86.8	Confident	15 Å²	15	60.7 Å²	60.7	7%	0.065	31%	0.313	C	S	.	.	H	α-helix	trans	-55.6	-43.7	173.8	-74.5	-180	-64.9	-176.2	0	111.5	R661 N662 F665 F988 G989 D991 E993 I999	R661-K995 WeakPolarHBondContact CD-O 3.41Å; R661-K995 HydrophobicContact CG-CB 4.3Å; N662-K995 PolarHBondContact OD1-NZ 2.84Å; F665-K995 HydrophobicContact CB-CD 4.36Å; F665-K995 HydrophobicContact CD2-CD 4.03Å; F665-K995 HydrophobicContact CD2-CG 3.76Å; F665-K995 HydrophobicContact CE2-CG 4.12Å; F665-K995 HydrophobicContact CG-CD 4.07Å; F665-K995 HydrophobicContact CG-CG 4.32Å; F988-K995 VanDerWaalsContact O-CG 3.25Å; F988-K995 WeakPolarHBondContact O-CG 3.42Å; G989-K995 VanDerWaalsContact O-CE 3.26Å; G989-K995 WeakPolarHBondContact O-CE 3.33Å; G989-K995 PolarHBondContact O-NZ 3.42Å; D991-K995 WeakPolarHBondContact O-CE 3.34Å; D991-K995 WeakPolarHBondContact O-CG 3.27Å; D991-K995 PolarHBondContact O-N 3.32Å; D991-K995 VanDerWaalsContact O-N 3.09Å; E993-K995 VanDerWaalsContact C-N 3.34Å; E993-K995 PolarHBondContact O-N 3.29Å; K995-I999 WeakPolarHBondContact O-CB 3.36Å; K995-I999 PolarHBondContact O-N 3.38Å
996	A	84.4	Confident	86.5	Confident	43 Å²	43	61.2 Å²	61.2	36%	0.355	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-33	178.5	0	0	0	0	0	113.7	S992 E993 K994 T1000	S992-A996 PolarHBondContact O-N 2.77Å; E993-A996 WeakPolarHBondContact O-CB 3.3Å; E993-A996 PolarHBondContact O-N 2.91Å; E993-A996 VanDerWaalsContact O-N 3.08Å; K994-A996 VanDerWaalsContact C-N 3.27Å; K994-A996 PolarHBondContact O-N 3.25Å; A996-T1000 WeakPolarHBondContact O-CG2 3.29Å
997	Q	86.9	Confident	86.2	Confident	128 Å²	128	58.5 Å²	58.5	60%	0.598	30%	0.302	S	S	*	.	H	α-helix	trans	-78.5	-32.1	177.7	-67.7	172.7	28.3	0	0	113.6	E993 K994 T1000	E993-Q997 WeakPolarHBondContact O-CG 3.44Å; E993-Q997 PolarHBondContact O-N 3.47Å; K994-Q997 PolarHBondContact O-N 3.35Å; K994-Q997 VanDerWaalsContact O-N 3.14Å; Q997-T1000 WeakPolarHBondContact O-CG2 3.46Å
998	L	86.4	Confident	85.9	Confident	27 Å²	27	57 Å²	57	14%	0.141	29%	0.292	C	S	.	.	H	α-helix	trans	-89.7	-50.7	-177.4	-63.1	173.5	0	0	0	111.9	L771 A774 F988 K994 T1000	L771-L998 HydrophobicContact CD1-CD1 3.8Å; A774-L998 HydrophobicContact CB-CD1 4.18Å; A774-L998 HydrophobicContact CB-CD2 3.59Å; F988-L998 HydrophobicContact CD2-CD1 3.69Å; F988-L998 HydrophobicContact CE2-CD1 3.85Å; F988-L998 HydrophobicContact CG-CD1 4.5Å; K994-L998 HydrophobicContact CB-CD1 4.45Å; K994-L998 WeakPolarHBondContact O-CB 3.32Å; K994-L998 VanDerWaalsContact O-CG 3.27Å; K994-L998 WeakPolarHBondContact O-CG 3.31Å; K994-L998 PolarHBondContact O-N 3.27Å; L998-T1000 PolarHBondContact O-N 3.33Å; L998-T1000 VanDerWaalsContact O-N 3.08Å
999	I	86.4	Confident	85.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-88.9	76.9	-179	-58.8	-175.5	0	0	0	109.2	R661 L664 F665 I767 L771 K995 V1004	R661-I999 HydrophobicContact CG-CB 4.07Å; R661-I999 HydrophobicContact CG-CG2 4.09Å; R661-I999 PolarHBondContact NE-O 3.11Å; L664-I999 HydrophobicContact CB-CG2 4.27Å; L664-I999 HydrophobicContact CD1-CG2 4.36Å; F665-I999 HydrophobicContact CB-CD1 3.68Å; F665-I999 HydrophobicContact CD2-CD1 3.78Å; F665-I999 HydrophobicContact CG-CD1 4.23Å; I767-I999 HydrophobicContact CG2-CG2 3.84Å; L771-I999 HydrophobicContact CD2-CD1 4.21Å; L771-I999 HydrophobicContact CD2-CG1 4.43Å; K995-I999 WeakPolarHBondContact O-CB 3.36Å; K995-I999 PolarHBondContact O-N 3.38Å; I999-V1004 HydrophobicContact CG2-CG1 4.12Å; I999-V1004 HydrophobicContact CG2-CG2 3.98Å
1000	T	82.9	Confident	85.5	Confident	52 Å²	52	58 Å²	58	32%	0.319	29%	0.294	S	S	.	.			trans	-107.5	136.2	-177.2	61.9	0	0	0	0	112.4	K770 A996 Q997 L998	K770-T1000 PolarHBondContact NZ-OG1 2.74Å; A996-T1000 WeakPolarHBondContact O-CG2 3.29Å; Q997-T1000 WeakPolarHBondContact O-CG2 3.46Å; L998-T1000 PolarHBondContact O-N 3.33Å; L998-T1000 VanDerWaalsContact O-N 3.08Å
1001	G	83.3	Confident	85.4	Confident	26 Å²	26	54.8 Å²	54.8	27%	0.268	28%	0.278	S	S	.	.	S	Bend	trans	165.8	158.2	166.8	0	0	0	0	0	112.1	R1003 V1004 Q1005	G1001-R1003 PolarHBondContact O-N 2.91Å; G1001-V1004 WeakPolarHBondContact O-CB 3.13Å; G1001-V1004 PolarHBondContact O-N 2.66Å; G1001-Q1005 PolarHBondContact O-N 2.97Å; G1001-Q1005 VanDerWaalsContact O-N 3.08Å
1002	R	82.5	Confident	85.1	Confident	152 Å²	152	57.2 Å²	57.2	57%	0.574	29%	0.286	S	S	*	.	H	α-helix	trans	-58.3	-33.6	179.3	-169	174.2	179.9	124.5	1.5	112	E648 Q1005 L1006	E648-R1002 VanDerWaalsContact CD-NH2 3.33Å; E648-R1002 IonicContact OE1-CZ 2.71Å; E648-R1002 IonicContact OE1-NE 3.85Å; E648-R1002 PolarHBondContact OE1-NE 3.23Å; E648-R1002 IonicContact OE1-NH2 3.09Å; E648-R1002 PolarHBondContact OE1-NH2 2.99Å; E648-R1002 IonicContact OE2-NH2 2.66Å; E648-R1002 PolarHBondContact OE2-NH2 3.43Å; R1002-Q1005 PolarHBondContact O-N 3.16Å; R1002-L1006 HydrophobicContact CG-CD1 3.94Å; R1002-L1006 HydrophobicContact CG-CG 4.25Å; R1002-L1006 WeakPolarHBondContact O-CB 3.17Å; R1002-L1006 VanDerWaalsContact O-CG 3.24Å; R1002-L1006 WeakPolarHBondContact O-CG 3.29Å; R1002-L1006 PolarHBondContact O-N 3.23Å
1003	R	85.8	Confident	85.3	Confident	30 Å²	30	53.3 Å²	53.3	11%	0.113	26%	0.258	C	S	.	.	H	α-helix	trans	-57.3	-47.8	171.1	-165.3	174.3	80.4	-165.1	9.9	112.2	W649 Y653 D765 I767 G1001 A1007	W649-R1003 HydrophobicContact CH2-CG 3.55Å; W649-R1003 HydrophobicContact CZ3-CG 3.71Å; W649-R1003 WeakPolarHBondContact CZ3-O 3.18Å; Y653-R1003 HydrophobicContact CD1-CG 4.28Å; Y653-R1003 HydrophobicContact CD2-CB 4.44Å; Y653-R1003 HydrophobicContact CD2-CG 3.97Å; Y653-R1003 HydrophobicContact CE1-CB 4.15Å; Y653-R1003 HydrophobicContact CE1-CG 4.16Å; Y653-R1003 HydrophobicContact CE2-CB 3.79Å; Y653-R1003 HydrophobicContact CE2-CG 3.83Å; Y653-R1003 HydrophobicContact CG-CG 4.21Å; Y653-R1003 PolarHBondContact OH-N 3.39Å; D765-R1003 IonicContact OD1-CZ 2.75Å; D765-R1003 IonicContact OD1-NH1 2.7Å; D765-R1003 PolarHBondContact OD1-NH1 3.21Å; D765-R1003 IonicContact OD1-NH2 3.94Å; D765-R1003 PolarHBondContact OD1-NH2 3.18Å; D765-R1003 IonicContact OD2-NH2 3.12Å; D765-R1003 PolarHBondContact OD2-NH2 3.18Å; I767-R1003 HydrophobicContact CD1-CB 4.1Å; G1001-R1003 PolarHBondContact O-N 2.91Å; R1003-A1007 WeakPolarHBondContact O-CB 3.02Å; R1003-A1007 PolarHBondContact O-N 2.99Å
1004	V	86.1	Confident	85.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.4	-46.1	-178.7	-166.1	0	0	0	0	110.4	R661 L664 I767 I999 G1001 A1007 E1008	R661-V1004 HydrophobicContact CB-CG1 4.05Å; R661-V1004 HydrophobicContact CG-CG1 4.43Å; L664-V1004 HydrophobicContact CD1-CG1 4.2Å; L664-V1004 HydrophobicContact CD1-CG2 4.05Å; I767-V1004 HydrophobicContact CD1-CG2 3.98Å; I767-V1004 HydrophobicContact CG2-CG2 3.92Å; I999-V1004 HydrophobicContact CG2-CG1 4.12Å; I999-V1004 HydrophobicContact CG2-CG2 3.98Å; G1001-V1004 WeakPolarHBondContact O-CB 3.13Å; G1001-V1004 PolarHBondContact O-N 2.66Å; V1004-A1007 PolarHBondContact O-N 2.99Å; V1004-E1008 WeakPolarHBondContact O-CG 3.42Å; V1004-E1008 PolarHBondContact O-N 3.35Å
1005	Q	84.9	Confident	85.5	Confident	109 Å²	109	49.8 Å²	49.8	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-60.9	-49.5	179	-69	169.9	-38.5	0	0	111.5	G1001 R1002 A1007 E1008 D1009	G1001-Q1005 PolarHBondContact O-N 2.97Å; G1001-Q1005 VanDerWaalsContact O-N 3.08Å; R1002-Q1005 PolarHBondContact O-N 3.16Å; Q1005-A1007 VanDerWaalsContact C-N 3.33Å; Q1005-A1007 PolarHBondContact O-N 3Å; Q1005-E1008 PolarHBondContact O-N 3.45Å; Q1005-D1009 WeakPolarHBondContact O-CB 3.45Å; Q1005-D1009 PolarHBondContact O-N 3.16Å
1006	L	85.7	Confident	85.4	Confident	11 Å²	11	49.3 Å²	49.3	6%	0.058	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-40.3	176.9	-72.1	167.8	0	0	0	112.6	L645 E648 W649 Y653 R1002 L1010	L645-L1006 HydrophobicContact CD2-CD2 3.76Å; E648-L1006 HydrophobicContact CG-CD1 4.07Å; E648-L1006 HydrophobicContact CG-CD2 4.32Å; E648-L1006 WeakPolarHBondContact OE1-CD1 3.21Å; W649-L1006 HydrophobicContact CE3-CB 4.18Å; W649-L1006 HydrophobicContact CZ3-CB 4.5Å; Y653-L1006 HydrophobicContact CE2-CD1 4.07Å; R1002-L1006 HydrophobicContact CG-CD1 3.94Å; R1002-L1006 HydrophobicContact CG-CG 4.25Å; R1002-L1006 WeakPolarHBondContact O-CB 3.17Å; R1002-L1006 VanDerWaalsContact O-CG 3.24Å; R1002-L1006 WeakPolarHBondContact O-CG 3.29Å; R1002-L1006 PolarHBondContact O-N 3.23Å; L1006-L1010 WeakPolarHBondContact O-CB 3.46Å; L1006-L1010 PolarHBondContact O-N 3.35Å
1007	A	86.3	Confident	85.5	Confident	5 Å²	5	48.2 Å²	48.2	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-41.3	177	0	0	0	0	0	112.2	W649 L659 R1003 V1004 Q1005 K1011	W649-A1007 HydrophobicContact CH2-CB 4.23Å; W649-A1007 HydrophobicContact CZ3-CB 3.82Å; L659-A1007 VanDerWaalsContact O-CB 3.29Å; L659-A1007 WeakPolarHBondContact O-CB 3.28Å; R1003-A1007 WeakPolarHBondContact O-CB 3.02Å; R1003-A1007 PolarHBondContact O-N 2.99Å; V1004-A1007 PolarHBondContact O-N 2.99Å; Q1005-A1007 VanDerWaalsContact C-N 3.33Å; Q1005-A1007 PolarHBondContact O-N 3Å; A1007-K1011 VanDerWaalsContact O-CB 3.24Å; A1007-K1011 WeakPolarHBondContact O-CB 3.43Å; A1007-K1011 PolarHBondContact O-N 3.12Å
1008	E	85.4	Confident	85.5	Confident	41 Å²	41	47.6 Å²	47.6	19%	0.192	22%	0.223	C	C	.	.	H	α-helix	trans	-68.4	-46.5	176.9	-70.5	-174.5	137.1	0	0	112.5	R661 V1004 Q1005 L1010 K1011 K1012	R661-E1008 VanDerWaalsContact CB-OE1 3.29Å; R661-E1008 WeakPolarHBondContact CB-OE1 3.42Å; R661-E1008 IonicContact CZ-OE1 2.59Å; R661-E1008 VanDerWaalsContact CZ-OE1 3.3Å; R661-E1008 IonicContact CZ-OE2 2.64Å; R661-E1008 IonicContact NE-OE1 2.67Å; R661-E1008 IonicContact NH1-OE1 3.54Å; R661-E1008 PolarHBondContact NH1-OE1 2.85Å; R661-E1008 IonicContact NH1-OE2 2.67Å; R661-E1008 PolarHBondContact NH1-OE2 3.43Å; R661-E1008 IonicContact NH2-OE1 2.75Å; R661-E1008 IonicContact NH2-OE2 3.25Å; R661-E1008 PolarHBondContact NH2-OE2 3.04Å; V1004-E1008 WeakPolarHBondContact O-CG 3.42Å; V1004-E1008 PolarHBondContact O-N 3.35Å; Q1005-E1008 PolarHBondContact O-N 3.45Å; E1008-L1010 PolarHBondContact O-N 3.33Å; E1008-K1011 PolarHBondContact O-N 3.03Å; E1008-K1012 WeakPolarHBondContact O-CB 3.16Å; E1008-K1012 VanDerWaalsContact O-CG 3.31Å; E1008-K1012 WeakPolarHBondContact O-CG 3.48Å; E1008-K1012 PolarHBondContact O-N 3.08Å
1009	D	84.6	Confident	85.5	Confident	56 Å²	56	49.1 Å²	49.1	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-42.4	179.3	-69.7	-28.4	0	0	0	111.1	L645 Q1005 K1012 V1013	L645-D1009 HydrophobicContact CD1-CB 4.24Å; Q1005-D1009 WeakPolarHBondContact O-CB 3.45Å; Q1005-D1009 PolarHBondContact O-N 3.16Å; D1009-K1012 PolarHBondContact O-N 3.05Å; D1009-V1013 WeakPolarHBondContact O-CB 3.36Å; D1009-V1013 VanDerWaalsContact O-CG2 3.26Å; D1009-V1013 WeakPolarHBondContact O-CG2 3.38Å; D1009-V1013 PolarHBondContact O-N 2.99Å
1010	L	86.3	Confident	85.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.1	-40.7	177	-163.7	170.5	0	0	0	111	L645 E646 W649 L1006 E1008 R1014	L645-L1010 HydrophobicContact CB-CB 4.31Å; L645-L1010 HydrophobicContact CB-CD1 4.35Å; L645-L1010 HydrophobicContact CB-CG 4.17Å; E646-L1010 HydrophobicContact CG-CD1 3.97Å; E646-L1010 HydrophobicContact CG-CD2 4.09Å; E646-L1010 HydrophobicContact CG-CG 4.18Å; W649-L1010 HydrophobicContact CB-CD1 4.18Å; L1006-L1010 WeakPolarHBondContact O-CB 3.46Å; L1006-L1010 PolarHBondContact O-N 3.35Å; E1008-L1010 PolarHBondContact O-N 3.33Å; L1010-R1014 VanDerWaalsContact O-CB 3.25Å; L1010-R1014 WeakPolarHBondContact O-CB 3Å; L1010-R1014 PolarHBondContact O-N 3.21Å
1011	K	86.2	Confident	85.6	Confident	101 Å²	101	50 Å²	50	44%	0.439	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-46.6	173.6	-177.3	169.2	178.9	168.5	0	112.1	D660 A1007 E1008 R1014 E1015	D660-K1011 HydrophobicContact CB-CD 4.13Å; D660-K1011 IonicContact OD2-NZ 2.67Å; D660-K1011 PolarHBondContact OD2-NZ 2.88Å; A1007-K1011 VanDerWaalsContact O-CB 3.24Å; A1007-K1011 WeakPolarHBondContact O-CB 3.43Å; A1007-K1011 PolarHBondContact O-N 3.12Å; E1008-K1011 PolarHBondContact O-N 3.03Å; K1011-R1014 PolarHBondContact O-N 3.4Å; K1011-E1015 PolarHBondContact O-N 3Å
1012	K	84.1	Confident	85.8	Confident	99 Å²	99	51.6 Å²	51.6	43%	0.43	24%	0.236	S	C	.	.	H	α-helix	trans	-62.2	-46.9	176.7	-71.8	176.4	-176.1	-177.5	0	112.1	Y349 E1008 D1009 R1014 E1015 I1016	Y349-K1012 HydrophobicContact CD2-CB 4.14Å; Y349-K1012 HydrophobicContact CD2-CD 3.94Å; Y349-K1012 HydrophobicContact CE2-CB 4.08Å; Y349-K1012 HydrophobicContact CE2-CD 4.18Å; E1008-K1012 WeakPolarHBondContact O-CB 3.16Å; E1008-K1012 VanDerWaalsContact O-CG 3.31Å; E1008-K1012 WeakPolarHBondContact O-CG 3.48Å; E1008-K1012 PolarHBondContact O-N 3.08Å; D1009-K1012 PolarHBondContact O-N 3.05Å; K1012-R1014 VanDerWaalsContact C-N 3.32Å; K1012-R1014 PolarHBondContact O-N 3.12Å; K1012-E1015 PolarHBondContact O-N 2.94Å; K1012-I1016 WeakPolarHBondContact O-CG1 3.37Å; K1012-I1016 PolarHBondContact O-N 3.4Å
1013	V	86.1	Confident	86	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-35.8	178.8	169.5	0	0	0	0	111.5	Y349 F638 R642 L645 D1009 I1016 Q1017	Y349-V1013 HydrophobicContact CE2-CG2 4.26Å; Y349-V1013 WeakPolarHBondContact OH-CG2 3.49Å; F638-V1013 HydrophobicContact CD1-CG1 4.36Å; R642-V1013 HydrophobicContact CB-CG1 3.74Å; R642-V1013 HydrophobicContact CG-CG1 4.43Å; L645-V1013 HydrophobicContact CD1-CB 4.44Å; L645-V1013 HydrophobicContact CD1-CG2 4.1Å; D1009-V1013 WeakPolarHBondContact O-CB 3.36Å; D1009-V1013 VanDerWaalsContact O-CG2 3.26Å; D1009-V1013 WeakPolarHBondContact O-CG2 3.38Å; D1009-V1013 PolarHBondContact O-N 2.99Å; V1013-I1016 PolarHBondContact O-N 3.05Å; V1013-Q1017 WeakPolarHBondContact O-CB 3.17Å; V1013-Q1017 PolarHBondContact O-N 2.7Å
1014	R	87.4	Confident	86	Confident	60 Å²	60	44.1 Å²	44.1	23%	0.226	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-45.1	172.9	-175	-179.6	-69.3	143.4	-4.7	111.5	E646 E658 L1010 K1011 K1012 Q1017 E1018	E646-R1014 IonicContact OE1-NH2 2.63Å; E658-R1014 IonicContact OE1-NH2 3.18Å; E658-R1014 PolarHBondContact OE1-NH2 2.87Å; E658-R1014 IonicContact OE2-CZ 2.99Å; E658-R1014 VanDerWaalsContact OE2-CZ 3.23Å; E658-R1014 IonicContact OE2-NH1 2.75Å; E658-R1014 PolarHBondContact OE2-NH1 2.91Å; E658-R1014 IonicContact OE2-NH2 2.65Å; E658-R1014 PolarHBondContact OE2-NH2 3.23Å; L1010-R1014 VanDerWaalsContact O-CB 3.25Å; L1010-R1014 WeakPolarHBondContact O-CB 3Å; L1010-R1014 PolarHBondContact O-N 3.21Å; K1011-R1014 PolarHBondContact O-N 3.4Å; K1012-R1014 VanDerWaalsContact C-N 3.32Å; K1012-R1014 PolarHBondContact O-N 3.12Å; R1014-Q1017 PolarHBondContact O-N 3.17Å; R1014-E1018 WeakPolarHBondContact O-CG 3.49Å; R1014-E1018 PolarHBondContact O-N 3.2Å
1015	E	86.9	Confident	86	Confident	90 Å²	90	49.2 Å²	49.2	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-47.2	174.6	178.8	166.6	-164	0	0	112.1	K1011 K1012 Q1017 E1018 K1019	K1011-E1015 PolarHBondContact O-N 3Å; K1012-E1015 PolarHBondContact O-N 2.94Å; E1015-Q1017 VanDerWaalsContact C-N 3.29Å; E1015-Q1017 PolarHBondContact O-N 3.47Å; E1015-E1018 PolarHBondContact O-N 3.17Å; E1015-K1019 HydrophobicContact CG-CG 4.23Å; E1015-K1019 WeakPolarHBondContact O-CG 3.43Å; E1015-K1019 PolarHBondContact O-N 3.49Å; E1015-K1019 VanDerWaalsContact OE1-CE 3.26Å; E1015-K1019 WeakPolarHBondContact OE1-CE 3.49Å; E1015-K1019 IonicContact OE1-NZ 3.57Å
1016	I	85.1	Confident	86.1	Confident	5 Å²	5	45.2 Å²	45.2	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-56.2	-44.5	176.6	-70.9	162.9	0	0	0	111	I345 L346 Y349 F638 K1012 V1013 K1019 L1020	I345-I1016 HydrophobicContact CG2-CD1 4.41Å; I345-I1016 HydrophobicContact CG2-CG1 3.66Å; L346-I1016 HydrophobicContact CD2-CD1 4.38Å; L346-I1016 HydrophobicContact CD2-CG2 3.92Å; Y349-I1016 HydrophobicContact CD1-CD1 4.45Å; Y349-I1016 HydrophobicContact CD2-CD1 4.15Å; Y349-I1016 HydrophobicContact CG-CD1 4.07Å; F638-I1016 HydrophobicContact CD1-CG2 3.81Å; F638-I1016 HydrophobicContact CD2-CG2 4Å; F638-I1016 HydrophobicContact CE1-CD1 4.39Å; F638-I1016 HydrophobicContact CE1-CG2 3.87Å; F638-I1016 HydrophobicContact CE2-CG2 4.07Å; F638-I1016 HydrophobicContact CG-CG2 3.89Å; F638-I1016 HydrophobicContact CZ-CG2 4.02Å; K1012-I1016 WeakPolarHBondContact O-CG1 3.37Å; K1012-I1016 PolarHBondContact O-N 3.4Å; V1013-I1016 PolarHBondContact O-N 3.05Å; I1016-K1019 PolarHBondContact O-N 3.37Å; I1016-L1020 HydrophobicContact CG2-CD1 3.83Å; I1016-L1020 WeakPolarHBondContact O-CB 3.49Å; I1016-L1020 WeakPolarHBondContact O-CG 3.48Å; I1016-L1020 PolarHBondContact O-N 3.19Å
1017	Q	85.8	Confident	86	Confident	20 Å²	20	45.1 Å²	45.1	9%	0.093	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-49.4	176.1	-174.5	-163.3	-9.4	0	0	111.8	K639 V1013 R1014 E1015 K1019 L1020 E1021	K639-Q1017 HydrophobicContact CG-CG 4.32Å; V1013-Q1017 WeakPolarHBondContact O-CB 3.17Å; V1013-Q1017 PolarHBondContact O-N 2.7Å; R1014-Q1017 PolarHBondContact O-N 3.17Å; E1015-Q1017 VanDerWaalsContact C-N 3.29Å; E1015-Q1017 PolarHBondContact O-N 3.47Å; Q1017-K1019 VanDerWaalsContact C-N 3.27Å; Q1017-K1019 PolarHBondContact O-N 3.46Å; Q1017-L1020 PolarHBondContact O-N 3.46Å; Q1017-E1021 HydrophobicContact CG-CG 4.22Å; Q1017-E1021 PolarHBondContact NE2-OE1 3.17Å; Q1017-E1021 PolarHBondContact NE2-OE2 3.38Å; Q1017-E1021 WeakPolarHBondContact O-CB 3.2Å; Q1017-E1021 WeakPolarHBondContact O-CG 3.49Å; Q1017-E1021 PolarHBondContact O-N 3Å
1018	E	87.7	Confident	85.8	Confident	115 Å²	115	49.1 Å²	49.1	54%	0.537	24%	0.236	S	C	.	.	H	α-helix	trans	-61.1	-35.9	-178.8	-75.5	176.7	-163.2	0	0	112.2	R1014 E1015 S1022	R1014-E1018 WeakPolarHBondContact O-CG 3.49Å; R1014-E1018 PolarHBondContact O-N 3.2Å; E1015-E1018 PolarHBondContact O-N 3.17Å; E1018-S1022 VanDerWaalsContact O-CB 3.23Å; E1018-S1022 WeakPolarHBondContact O-CB 3.31Å; E1018-S1022 PolarHBondContact O-N 2.87Å
1019	K	85.8	Confident	85.6	Confident	60 Å²	60	53.8 Å²	53.8	26%	0.261	26%	0.256	S	S	.	.	H	α-helix	trans	-69.5	-44.7	175	-57.5	-87.1	-174.6	168.8	0	111.5	E341 V342 I345 E1015 I1016 Q1017 S1022 F1023	E341-K1019 HydrophobicContact CG-CD 4.44Å; E341-K1019 IonicContact OE1-NZ 3.98Å; E341-K1019 PolarHBondContact OE1-NZ 3.49Å; V342-K1019 HydrophobicContact CG2-CB 3.83Å; I345-K1019 HydrophobicContact CD1-CD 3.83Å; I345-K1019 HydrophobicContact CD1-CG 3.86Å; E1015-K1019 HydrophobicContact CG-CG 4.23Å; E1015-K1019 WeakPolarHBondContact O-CG 3.43Å; E1015-K1019 PolarHBondContact O-N 3.49Å; E1015-K1019 VanDerWaalsContact OE1-CE 3.26Å; E1015-K1019 WeakPolarHBondContact OE1-CE 3.49Å; E1015-K1019 IonicContact OE1-NZ 3.57Å; I1016-K1019 PolarHBondContact O-N 3.37Å; Q1017-K1019 VanDerWaalsContact C-N 3.27Å; Q1017-K1019 PolarHBondContact O-N 3.46Å; K1019-S1022 PolarHBondContact O-N 2.75Å; K1019-F1023 WeakPolarHBondContact O-CB 3.06Å; K1019-F1023 PolarHBondContact O-N 3.21Å
1020	L	85.4	Confident	85	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-46.2	175.4	-83	164.9	0	0	0	111.9	V342 V631 A635 F638 I1016 Q1017 F1023 I1024	V342-L1020 HydrophobicContact CG1-CD2 3.65Å; V342-L1020 HydrophobicContact CG1-CG 3.99Å; V631-L1020 HydrophobicContact CG2-CD2 3.68Å; A635-L1020 HydrophobicContact CB-CB 4.4Å; F638-L1020 HydrophobicContact CB-CD1 4.47Å; F638-L1020 HydrophobicContact CD2-CD1 3.61Å; F638-L1020 HydrophobicContact CE2-CD1 4.26Å; F638-L1020 HydrophobicContact CG-CD1 4.26Å; I1016-L1020 HydrophobicContact CG2-CD1 3.83Å; I1016-L1020 WeakPolarHBondContact O-CB 3.49Å; I1016-L1020 WeakPolarHBondContact O-CG 3.48Å; I1016-L1020 PolarHBondContact O-N 3.19Å; Q1017-L1020 PolarHBondContact O-N 3.46Å; L1020-F1023 PolarHBondContact O-N 3.41Å; L1020-I1024 WeakPolarHBondContact O-CB 3.39Å; L1020-I1024 VanDerWaalsContact O-CG1 3.31Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.38Å; L1020-I1024 PolarHBondContact O-N 3.26Å
1021	E	86.3	Confident	83.6	Confident	71 Å²	71	65 Å²	65	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-67.7	-39.9	178.6	-72.6	179.3	173.9	0	0	111.5	K639 Q1017 F1023 I1024 E1025	K639-E1021 WeakPolarHBondContact CE-OE1 3.43Å; Q1017-E1021 HydrophobicContact CG-CG 4.22Å; Q1017-E1021 PolarHBondContact NE2-OE1 3.17Å; Q1017-E1021 PolarHBondContact NE2-OE2 3.38Å; Q1017-E1021 WeakPolarHBondContact O-CB 3.2Å; Q1017-E1021 WeakPolarHBondContact O-CG 3.49Å; Q1017-E1021 PolarHBondContact O-N 3Å; E1021-F1023 VanDerWaalsContact C-N 3.3Å; E1021-F1023 PolarHBondContact O-N 3.42Å; E1021-I1024 PolarHBondContact O-N 3.15Å; E1021-E1025 VanDerWaalsContact O-CB 3.29Å; E1021-E1025 WeakPolarHBondContact O-CB 3.5Å; E1021-E1025 PolarHBondContact O-N 3.44Å
1022	S	87.1	Confident	83.5	Confident	59 Å²	59	63.2 Å²	63.2	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-64.4	-32.4	172.4	-176.7	0	0	0	0	112.9	E1018 K1019 A1026	E1018-S1022 VanDerWaalsContact O-CB 3.23Å; E1018-S1022 WeakPolarHBondContact O-CB 3.31Å; E1018-S1022 PolarHBondContact O-N 2.87Å; K1019-S1022 PolarHBondContact O-N 2.75Å; S1022-A1026 WeakPolarHBondContact O-CB 3.39Å; S1022-A1026 PolarHBondContact O-N 3.3Å
1023	F	86.9	Confident	83.4	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-72.5	-44.7	173.7	169.2	-104.3	0	0	0	111.5	L335 L338 Y339 W624 V627 V631 K1019 L1020 E1021 A1026 L1027	L335-F1023 HydrophobicContact CB-CE2 4.29Å; L335-F1023 HydrophobicContact CD2-CD2 3.86Å; L335-F1023 HydrophobicContact CD2-CE2 3.83Å; L335-F1023 VanDerWaalsContact O-CE2 3.24Å; L335-F1023 WeakPolarHBondContact O-CE2 2.95Å; L338-F1023 HydrophobicContact CB-CB 4.48Å; L338-F1023 HydrophobicContact CB-CD2 3.98Å; Y339-F1023 AromaticContact CD2-CE1 3.89Å; Y339-F1023 HydrophobicContact CD2-CE1 3.89Å; Y339-F1023 HydrophobicContact CD2-CE2 4.24Å; Y339-F1023 AromaticContact CD2-CZ 3.71Å; Y339-F1023 HydrophobicContact CD2-CZ 3.71Å; Y339-F1023 HydrophobicContact CG-CE2 4.45Å; Y339-F1023 HydrophobicContact CG-CZ 4.27Å; W624-F1023 HydrophobicContact CZ3-CE2 4.33Å; W624-F1023 HydrophobicContact CZ3-CZ 4.08Å; V627-F1023 HydrophobicContact CG1-CE1 3.97Å; V627-F1023 HydrophobicContact CG1-CZ 3.8Å; V631-F1023 HydrophobicContact CB-CE1 4.35Å; V631-F1023 HydrophobicContact CG1-CE1 4.19Å; V631-F1023 HydrophobicContact CG2-CD1 3.88Å; V631-F1023 HydrophobicContact CG2-CE1 3.9Å; K1019-F1023 WeakPolarHBondContact O-CB 3.06Å; K1019-F1023 PolarHBondContact O-N 3.21Å; L1020-F1023 PolarHBondContact O-N 3.41Å; E1021-F1023 VanDerWaalsContact C-N 3.3Å; E1021-F1023 PolarHBondContact O-N 3.42Å; F1023-A1026 PolarHBondContact O-N 2.86Å; F1023-L1027 HydrophobicContact CE1-CD1 3.9Å; F1023-L1027 HydrophobicContact CZ-CD1 3.79Å; F1023-L1027 VanDerWaalsContact O-CB 3.27Å; F1023-L1027 WeakPolarHBondContact O-CB 3.21Å; F1023-L1027 PolarHBondContact O-N 3.08Å
1024	I	86.2	Confident	83.3	Confident	25 Å²	25	64.7 Å²	64.7	13%	0.128	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-48	175.7	-73.2	166.7	0	0	0	110.5	V631 A635 L1020 E1021 A1026 L1027 H1028	V631-I1024 HydrophobicContact CG1-CD1 4.41Å; V631-I1024 HydrophobicContact CG1-CG1 3.95Å; V631-I1024 HydrophobicContact CG2-CD1 4.28Å; V631-I1024 HydrophobicContact CG2-CG1 4.15Å; A635-I1024 HydrophobicContact CB-CD1 3.57Å; L1020-I1024 WeakPolarHBondContact O-CB 3.39Å; L1020-I1024 VanDerWaalsContact O-CG1 3.31Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.38Å; L1020-I1024 PolarHBondContact O-N 3.26Å; E1021-I1024 PolarHBondContact O-N 3.15Å; I1024-A1026 VanDerWaalsContact C-N 3.31Å; I1024-A1026 PolarHBondContact O-N 2.99Å; I1024-L1027 PolarHBondContact O-N 3.13Å; I1024-L1027 VanDerWaalsContact O-N 3.09Å; I1024-H1028 PolarHBondContact O-CD2 2.91Å; I1024-H1028 PolarHBondContact O-N 3.12Å
1025	E	86.8	Confident	83	Confident	107 Å²	107	64.9 Å²	64.9	50%	0.5	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-37.1	179.1	-161.1	-133.3	-175	0	0	112	E1021 K1029	E1021-E1025 VanDerWaalsContact O-CB 3.29Å; E1021-E1025 WeakPolarHBondContact O-CB 3.5Å; E1021-E1025 PolarHBondContact O-N 3.44Å; E1025-K1029 VanDerWaalsContact CD-CE 3.49Å; E1025-K1029 WeakPolarHBondContact O-CD 3.14Å; E1025-K1029 VanDerWaalsContact O-CG 3.27Å; E1025-K1029 WeakPolarHBondContact O-CG 3.36Å; E1025-K1029 PolarHBondContact O-N 2.94Å; E1025-K1029 VanDerWaalsContact OE1-CE 3.31Å; E1025-K1029 WeakPolarHBondContact OE1-CE 3.49Å; E1025-K1029 IonicContact OE1-NZ 3.42Å; E1025-K1029 PolarHBondContact OE1-NZ 3.14Å; E1025-K1029 IonicContact OE2-NZ 2.68Å; E1025-K1029 PolarHBondContact OE2-NZ 3.24Å
1026	A	85.4	Confident	82.8	Confident	24 Å²	24	63.4 Å²	63.4	20%	0.198	30%	0.303	C	S	.	.	H	α-helix	trans	-69.5	-37	172.5	0	0	0	0	0	112.6	L335 L338 S1022 F1023 I1024 K1029 E1030	L335-A1026 HydrophobicContact CD2-CB 3.56Å; L338-A1026 HydrophobicContact CD1-CB 4.18Å; S1022-A1026 WeakPolarHBondContact O-CB 3.39Å; S1022-A1026 PolarHBondContact O-N 3.3Å; F1023-A1026 PolarHBondContact O-N 2.86Å; I1024-A1026 VanDerWaalsContact C-N 3.31Å; I1024-A1026 PolarHBondContact O-N 2.99Å; A1026-K1029 WeakPolarHBondContact O-CB 3.49Å; A1026-K1029 PolarHBondContact O-N 3.5Å; A1026-K1029 VanDerWaalsContact O-N 3.12Å; A1026-E1030 PolarHBondContact O-N 2.6Å
1027	L	84.2	Confident	82.6	Confident	10 Å²	10	67.3 Å²	67.3	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-69.4	-35.5	179.1	176.6	158.8	0	0	0	111.6	L335 R628 F1023 I1024 K1029 E1030	L335-L1027 HydrophobicContact CD2-CB 4.08Å; R628-L1027 HydrophobicContact CG-CD1 4Å; R628-L1027 HydrophobicContact CG-CD2 4.13Å; R628-L1027 HydrophobicContact CG-CG 4.48Å; F1023-L1027 HydrophobicContact CE1-CD1 3.9Å; F1023-L1027 HydrophobicContact CZ-CD1 3.79Å; F1023-L1027 VanDerWaalsContact O-CB 3.27Å; F1023-L1027 WeakPolarHBondContact O-CB 3.21Å; F1023-L1027 PolarHBondContact O-N 3.08Å; I1024-L1027 PolarHBondContact O-N 3.13Å; I1024-L1027 VanDerWaalsContact O-N 3.09Å; L1027-K1029 PolarHBondContact O-N 3.27Å; L1027-E1030 PolarHBondContact O-N 3.47Å
1028	H	82.6	Confident	82.4	Confident	89 Å²	89	70.6 Å²	70.6	41%	0.412	34%	0.338	S	S	.	.	H	α-helix	trans	-67.3	-22.9	170.2	-75.6	-77.5	0	0	0	113.2	I1024 E1030	I1024-H1028 PolarHBondContact O-CD2 2.91Å; I1024-H1028 PolarHBondContact O-N 3.12Å; H1028-E1030 VanDerWaalsContact C-N 3.33Å
1029	K	81.8	Confident	82	Confident	138 Å²	138	67.2 Å²	67.2	60%	0.6	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.7	176.4	-68.7	164.9	-174.3	175.2	0	113.9	E1025 A1026 L1027	E1025-K1029 VanDerWaalsContact CD-CE 3.49Å; E1025-K1029 WeakPolarHBondContact O-CD 3.14Å; E1025-K1029 VanDerWaalsContact O-CG 3.27Å; E1025-K1029 WeakPolarHBondContact O-CG 3.36Å; E1025-K1029 PolarHBondContact O-N 2.94Å; E1025-K1029 VanDerWaalsContact OE1-CE 3.31Å; E1025-K1029 WeakPolarHBondContact OE1-CE 3.49Å; E1025-K1029 IonicContact OE1-NZ 3.42Å; E1025-K1029 PolarHBondContact OE1-NZ 3.14Å; E1025-K1029 IonicContact OE2-NZ 2.68Å; E1025-K1029 PolarHBondContact OE2-NZ 3.24Å; A1026-K1029 WeakPolarHBondContact O-CB 3.49Å; A1026-K1029 PolarHBondContact O-N 3.5Å; A1026-K1029 VanDerWaalsContact O-N 3.12Å; L1027-K1029 PolarHBondContact O-N 3.27Å
1030	E	70.9	Confident	81.7	Confident	106 Å²	106	67.8 Å²	67.8	50%	0.495	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	3.2	171.4	-158.2	178.8	-116.1	0	0	112.3	L335 R464 A1026 L1027 H1028	L335-E1030 HydrophobicContact CD1-CB 3.88Å; L335-E1030 VanDerWaalsContact CD1-CD 3.48Å; L335-E1030 HydrophobicContact CD1-CG 4.26Å; L335-E1030 WeakPolarHBondContact CD1-OE2 3.32Å; R464-E1030 IonicContact CZ-OE1 2.88Å; R464-E1030 IonicContact CZ-OE2 3.4Å; R464-E1030 IonicContact NH1-OE1 3.23Å; R464-E1030 PolarHBondContact NH1-OE1 3.17Å; R464-E1030 IonicContact NH1-OE2 3.72Å; R464-E1030 VanDerWaalsContact NH2-CD 3.34Å; R464-E1030 IonicContact NH2-OE1 3.92Å; R464-E1030 PolarHBondContact NH2-OE1 2.84Å; R464-E1030 IonicContact NH2-OE2 2.65Å; R464-E1030 PolarHBondContact NH2-OE2 3.3Å; A1026-E1030 PolarHBondContact O-N 2.6Å; L1027-E1030 PolarHBondContact O-N 3.47Å; H1028-E1030 VanDerWaalsContact C-N 3.33Å
1031	K	57	Low	81.4	Confident	185 Å²	185	74 Å²	74	80%	0.804	36%	0.358	S	S	*	.			trans	-91.9	0	170.2	-71.1	178.9	177.9	169.7	0	111.2

Retrieved 1,031 of 1,031 residues in 227.7 ms (Link to these results)

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