A0A087YEK2_POEFO Loading...

Solute carrier family 12 member 4

AlphaFold DB , UniProt , Accession A0A087YEK2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,092 aa.

						>A0A087YEK2_POEFO|A0A087YEK2
MPHFTVVPVKDQAQSSYDSLEGINWVDYRDTGQDCPDHQDGADGHGNHKEDSPFLSSADTSGRRNDFYDRNLALFEEELDIRPKVSSLLSRLVNYTNVTQGAKEHEEEESAEASRRKTPKSPNMGTLMGVYLPCLQNIFGVILFLRLTWIVGMAGIIQSLLIVLMCCSCTMLTAISMSAIATNGVVPAGGAYFMISRSLGPEFGGAVGLCFYLGTTFASAMYILGAIEIFLKYLVPQAAIFHSTDHLGRDSALLNNMRVYGTLCLSLMAVVVFVGVKYVNKLASLFLACVIISIISIYAGAIKSMTHPPKFPICMLGNRTLVRDGFDVCAKTEVKGNITEPSQLWNRFCVGGNLSSAQCDDYFIQNNVTEIQGIPGLGSGIIRENMWSNYLQKGEILEKAGLRSVDAHSPLENFVNYVSADIATSFTLLVGIFFPSATGIMAGSNRSGDLRDAQKSIPVGTILAITTTSLVYLSSVVLFGSCIEGVVLRDKFGNAVKQNLVVGILSWPSPWVIVIGSFFSTVGAGLQSLTGAPRLLQAIAKDNIIPFLRVFGHGKANGEPTWALLLTGLIAELGILIASLDMVAPILSMFFLMCYLFVNLACAVQTLLRTPNWRPRFKYYHWALSFLGMSMCLALMFISSWYYAIVAMGIAGMIYKYIEYQGAEKEWGDGIRGLSLSGARYALLRLEAGPPHTKNWRPQLLVLLKLDEDLHVKYPRMLTFASQLKAGKGLTIVGSVIQGNFLDSYGEMQAAEQAIKNMMEIERVKGFCQVVVATKVREGIAHLIQSCGLGGMKHNTVVMGWPYGWRQSEDPRAWKTFINTVRCTTAAHLALMVPKNVSFYPSNHERFTDGNIDVWWIVHDGGMLMLLPFLLKQHKVWRKCKMRIFTVAQMDDNSIQMKKDLATFLYQLRIEAEVEVVEMHDSDISAYTYERTLMMEQRSQMLRQMRLSSAERQREAQLVKDRHSLVRMGSLYSDEEEDVMEVPPEKVHMTWTKEKCEAERRNRNNAPENFRELMSLKPDQSNVRRMHTAVKLNEVIVNRSHDARLVLLNMPGPPRNTDGDENYMEFLEVLTEGLERVMLVRGGGREVITIYS
					

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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	39.6	Very low	29.5	Very low	225 Å²	225	154.8 Å²	154.8	100%	1.108	83%	0.831	S	S	*	*				0	129.6	0	-78.4	177.4	169.4	0	0	108.3
2	P	36.5	Very low	29.4	Very low	120 Å²	120	158.4 Å²	158.4	78%	0.779	84%	0.839	S	S	*	*				-124.7	146.9	121.3	26.8	-13.2	0	0	0	110.9
3	H	29.2	Very low	29.2	Very low	173 Å²	173	154.2 Å²	154.2	80%	0.801	84%	0.84	S	S	*	*			trans	-67.6	132	179.2	-81.1	-92.1	0	0	0	111.3
4	F	24.5	Very low	29.1	Very low	198 Å²	198	157.1 Å²	157.1	87%	0.868	85%	0.845	S	S	*	*			trans	-101.4	114.9	164.1	-102.5	-88.2	0	0	0	109.2
5	T	26.5	Very low	29	Very low	130 Å²	130	154.6 Å²	154.6	80%	0.798	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-80.7	123	172.5	-17.5	0	0	0	0	108.6
6	V	28.4	Very low	28.7	Very low	133 Å²	133	152.4 Å²	152.4	81%	0.806	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-87.1	122.4	177.8	177.3	0	0	0	0	108.8
7	V	26.5	Very low	28.7	Very low	122 Å²	122	155.6 Å²	155.6	74%	0.739	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-96.8	126.3	168.5	-179	0	0	0	0	108.1
8	P	30.1	Very low	28.7	Very low	113 Å²	113	154.6 Å²	154.6	73%	0.734	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-80.3	123.3	174.1	29.8	-29.4	0	0	0	110.5
9	V	28	Very low	28.6	Very low	129 Å²	129	152.8 Å²	152.8	78%	0.782	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-85	120.5	167.2	177.1	0	0	0	0	107.6
10	K	27.6	Very low	28.6	Very low	202 Å²	202	153.1 Å²	153.1	88%	0.878	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-76.2	122.2	172	-84.3	178.9	173	177.4	0	109.5
11	D	27.9	Very low	28.6	Very low	158 Å²	158	154.7 Å²	154.7	85%	0.845	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-73.2	123.3	163.6	-77.2	-37.3	0	0	0	109.8
12	Q	27.7	Very low	28	Very low	198 Å²	198	147 Å²	147	93%	0.925	82%	0.816	S	S	*	*			trans	-132.3	101.6	157.8	-88.6	-173.4	-18.3	0	0	108.4
13	A	27.1	Very low	27.5	Very low	103 Å²	103	148.6 Å²	148.6	85%	0.851	82%	0.817	S	S	*	*			trans	-122.7	109.8	159.6	0	0	0	0	0	107.1
14	Q	27.5	Very low	27.3	Very low	196 Å²	196	146.5 Å²	146.5	92%	0.916	81%	0.811	S	S	*	*			trans	-124.6	126.6	163.2	-104.4	179.4	-17.7	0	0	108.5
15	S	28.1	Very low	27.4	Very low	119 Å²	119	148.5 Å²	148.5	83%	0.832	81%	0.813	S	S	*	*			trans	-73.1	138.4	170.4	50.8	0	0	0	0	111.5
16	S	24.6	Very low	27.4	Very low	120 Å²	120	147.8 Å²	147.8	84%	0.839	81%	0.808	S	S	*	*			trans	-165.5	140.6	150.7	-176.2	0	0	0	0	111.2
17	Y	27.7	Very low	27.3	Very low	207 Å²	207	148 Å²	148	81%	0.812	81%	0.805	S	S	*	*			trans	-83.6	166.8	-177	-101.2	-103	0	0	0	113.8
18	D	28.7	Very low	27.4	Very low	136 Å²	136	151.2 Å²	151.2	73%	0.727	81%	0.805	S	S	*	*			trans	66.4	121.6	153.2	-67.8	-19.7	0	0	0	121.6
19	S	27.5	Very low	27.2	Very low	122 Å²	122	156 Å²	156	85%	0.853	81%	0.808	S	S	*	*				166	161.6	93.8	43	0	0	0	0	113.3
20	L	28.7	Very low	27.1	Very low	157 Å²	157	156.5 Å²	156.5	82%	0.822	81%	0.807	S	S	*	*			trans	-85.4	174.2	-161.3	-119.4	90.7	0	0	0	115.5
21	E	28.1	Very low	27.1	Very low	187 Å²	187	153.8 Å²	153.8	87%	0.874	81%	0.807	S	S	*	*			trans	80.9	135.8	163.9	-66.8	173	-178.3	0	0	117.6
22	G	26.6	Very low	27	Very low	64 Å²	64	149.8 Å²	149.8	66%	0.66	80%	0.803	S	S	*	*			cis	170.7	144.2	-0	0	0	0	0	0	111.3
23	I	27.5	Very low	27	Very low	153 Å²	153	149.8 Å²	149.8	79%	0.785	80%	0.803	S	S	*	*			trans	74.6	120.6	138.9	-55.5	170.4	0	0	0	122.2
24	N	24.5	Very low	26.9	Very low	129 Å²	129	152.1 Å²	152.1	69%	0.69	80%	0.802	S	S	*	*			trans	48.1	137.1	147.5	-61.6	-11	0	0	0	120.5
25	W	26.8	Very low	26.7	Very low	241 Å²	241	149 Å²	149	91%	0.913	80%	0.8	S	S	*	*				-161.6	166.1	59.3	-90.7	84.5	0	0	0	112.8
26	V	25.9	Very low	27.3	Very low	114 Å²	114	148.1 Å²	148.1	69%	0.691	79%	0.791	S	S	*	*			trans	-100	146.2	-173	167.2	0	0	0	0	112.5
27	D	26.4	Very low	27.6	Very low	137 Å²	137	148.6 Å²	148.6	73%	0.733	79%	0.785	S	S	*	*			trans	65.5	151.3	155.7	-79.9	-8.3	0	0	0	120.3
28	Y	27.9	Very low	27.7	Very low	191 Å²	191	145.7 Å²	145.7	75%	0.749	78%	0.778	S	S	*	*			cis	-163.1	156.8	14.8	-136.7	-78.4	0	0	0	108.5
29	R	25.8	Very low	27.6	Very low	212 Å²	212	146.2 Å²	146.2	80%	0.8	78%	0.776	S	S	*	*			trans	83.5	122.5	145	-113.5	166.2	-168.6	175.8	4.6	124.1
30	D	27.2	Very low	27.7	Very low	140 Å²	140	148 Å²	148	75%	0.749	78%	0.776	S	S	*	*			trans	28.6	131.2	137.7	-78.5	-35	0	0	0	123.3
31	T	27.1	Very low	27.6	Very low	145 Å²	145	144.1 Å²	144.1	89%	0.89	77%	0.774	S	S	*	*			trans	156.2	121.7	131.7	38	0	0	0	0	106.1
32	G	26.8	Very low	27.5	Very low	74 Å²	74	139.6 Å²	139.6	76%	0.763	77%	0.769	S	S	*	*			cis	103.2	105.4	42.9	0	0	0	0	0	107.5
33	Q	25.6	Very low	27.6	Very low	198 Å²	198	144.6 Å²	144.6	93%	0.925	78%	0.78	S	S	*	*			trans	-150.4	121	165.4	-144.9	153.4	7.5	0	0	113.4
34	D	26.2	Very low	27.6	Very low	153 Å²	153	141 Å²	141	82%	0.818	78%	0.782	S	S	*	*			trans	-72.4	166.2	-176.2	-64.4	-61.1	0	0	0	115.2
35	C	22.9	Very low	27.7	Very low	130 Å²	130	144.7 Å²	144.7	88%	0.878	79%	0.794	S	S	*	*			trans	-150.6	151.2	134.3	-91.3	0	0	0	0	111.3
36	P	41.2	Very low	27.7	Very low	100 Å²	100	136.6 Å²	136.6	65%	0.649	79%	0.786	S	S	*	*			trans	-121.3	169.8	-156	38.3	-21.1	0	0	0	115.6
37	D	30	Very low	27.8	Very low	131 Å²	131	137.4 Å²	137.4	70%	0.701	79%	0.786	S	S	*	*				141.1	127.8	119.1	-87.5	-25.6	0	0	0	118.5
38	H	30.1	Very low	28	Very low	145 Å²	145	138.3 Å²	138.3	67%	0.671	79%	0.786	S	S	*	*			trans	93.6	111.2	136.4	-83.5	-44.1	0	0	0	125.8
39	Q	27.8	Very low	28	Very low	148 Å²	148	136.8 Å²	136.8	69%	0.692	78%	0.783	S	S	*	*				96.4	102.9	119.7	-95.1	163.8	10.2	0	0	123.1
40	D	28.9	Very low	28.1	Very low	158 Å²	158	133.1 Å²	133.1	85%	0.845	78%	0.775	S	S	*	*				47.6	134.6	118.1	-60.9	-30.1	0	0	0	124.1
41	G	26.6	Very low	28.2	Very low	76 Å²	76	133.8 Å²	133.8	78%	0.784	78%	0.779	S	S	*	*				133.2	90.2	129.3	0	0	0	0	0	120.9
42	A	26.6	Very low	28.7	Very low	92 Å²	92	131.6 Å²	131.6	76%	0.76	77%	0.769	S	S	*	*			trans	29.9	141.3	139	0	0	0	0	0	126.6
43	D	28.4	Very low	29.4	Very low	169 Å²	169	133 Å²	133	90%	0.904	77%	0.765	S	S	*	*			trans	66.4	132.7	140.8	-67.3	-18.4	0	0	0	124.5
44	G	26.3	Very low	29.5	Very low	79 Å²	79	132.1 Å²	132.1	81%	0.814	76%	0.758	S	S	*	*			trans	145.1	121.2	150.6	0	0	0	0	0	118.5
45	H	26.6	Very low	29.8	Very low	205 Å²	205	132.4 Å²	132.4	95%	0.949	76%	0.759	S	S	*	*			trans	-45.4	153	174.7	-83.1	-92.5	0	0	0	119.2
46	G	27.3	Very low	29.9	Very low	72 Å²	72	132.1 Å²	132.1	74%	0.742	76%	0.758	S	S	*	*				126.8	109	122.1	0	0	0	0	0	120.9
47	N	28	Very low	29.2	Very low	131 Å²	131	132.7 Å²	132.7	70%	0.701	77%	0.765	S	S	*	*				85.4	118	128.3	-114.6	18.9	0	0	0	123.7
48	H	30.1	Very low	29.1	Very low	156 Å²	156	130.7 Å²	130.7	72%	0.722	77%	0.767	S	S	*	*				149.2	105.1	121.5	-79.9	-66	0	0	0	110.6
49	K	28.6	Very low	29	Very low	158 Å²	158	130.9 Å²	130.9	69%	0.687	77%	0.772	S	S	*	*				55.3	137.3	84.6	-77.9	-167.6	164.7	-144.5	0	113.1
50	E	28.8	Very low	29	Very low	136 Å²	136	129.5 Å²	129.5	64%	0.636	78%	0.775	S	S	*	*			cis	-169	129.1	7.6	-107.4	163.4	-170.9	0	0	103.9
51	D	27.7	Very low	28.9	Very low	153 Å²	153	127.9 Å²	127.9	82%	0.818	78%	0.775	S	S	*	*				77.6	133.9	97.4	-85.4	-30.8	0	0	0	118.5
52	S	38	Very low	29.1	Very low	99 Å²	99	128 Å²	128	69%	0.692	78%	0.776	S	S	*	*			trans	-49.1	-171.4	179.7	60.4	0	0	0	0	118.1
53	P	41.9	Very low	29.4	Very low	104 Å²	104	135 Å²	135	68%	0.675	78%	0.783	S	S	*	*				-157.6	161.3	95	43.6	-24.2	0	0	0	120.5
54	F	27.4	Very low	29.3	Very low	180 Å²	180	138.4 Å²	138.4	79%	0.789	78%	0.783	S	S	*	*			trans	91.7	82.7	150.9	-67.7	-63.2	0	0	0	123.6
55	L	32.8	Very low	29.5	Very low	158 Å²	158	142.1 Å²	142.1	83%	0.827	79%	0.785	S	S	*	*				32.3	126.3	116.5	-66	165.7	0	0	0	122.3
56	S	25.9	Very low	29.7	Very low	124 Å²	124	139.5 Å²	139.5	87%	0.867	78%	0.778	S	S	*	*				-156.4	147.7	109.9	82.6	0	0	0	0	112
57	S	25.7	Very low	30	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	78%	0.784	S	S	*	*			trans	-91.8	142.3	-166.8	50.8	0	0	0	0	114.8
58	A	26.8	Very low	30.2	Very low	89 Å²	89	149.9 Å²	149.9	74%	0.736	79%	0.792	S	S	*	*			trans	-167.1	124.8	136	0	0	0	0	0	111.5
59	D	28.4	Very low	30.2	Very low	148 Å²	148	149.2 Å²	149.2	79%	0.791	79%	0.794	S	S	*	*			trans	77.8	79.5	149.3	-57.9	-10.1	0	0	0	121.9
60	T	27.7	Very low	30.7	Very low	120 Å²	120	153 Å²	153	74%	0.736	80%	0.803	S	S	*	*				49.8	114.4	116.7	50.8	0	0	0	0	122
61	S	27.6	Very low	30.8	Very low	123 Å²	123	154.1 Å²	154.1	86%	0.86	81%	0.814	S	S	*	*				85.4	111.4	127	69.9	0	0	0	0	119.6
62	G	30.2	Very low	31.1	Very low	78 Å²	78	153.2 Å²	153.2	80%	0.804	81%	0.809	S	S	*	*			trans	130.1	57.1	153.3	0	0	0	0	0	116.3
63	R	33.7	Very low	31	Very low	240 Å²	240	153 Å²	153	91%	0.906	81%	0.812	S	S	*	*			trans	-155.2	84.7	162.6	-112.9	176.3	-171.5	168.9	4	112.2
64	R	26.7	Very low	30.6	Very low	241 Å²	241	155.2 Å²	155.2	91%	0.909	82%	0.818	S	S	*	*			trans	-161.8	94.3	153.9	-131.3	174	179.2	163.8	-1.1	108
65	N	29.4	Very low	30.7	Very low	157 Å²	157	154.6 Å²	154.6	84%	0.84	82%	0.815	S	S	*	*			trans	-175.6	44.8	154.1	-97.1	2.6	0	0	0	112.3
66	D	32.3	Very low	30.9	Very low	150 Å²	150	155 Å²	155	80%	0.802	81%	0.813	S	S	*	*			trans	-114.2	37.3	178.5	-77	-20.6	0	0	0	113.1
67	F	32.9	Very low	31.5	Very low	200 Å²	200	158.4 Å²	158.4	88%	0.877	82%	0.815	S	S	*	*	S	Bend	trans	-128.5	5.1	174.3	-113.6	-90.4	0	0	0	115.9
68	Y	31.1	Very low	31.9	Very low	220 Å²	220	160.9 Å²	160.9	86%	0.863	81%	0.814	S	S	*	*	S	Bend	trans	-129.1	73.5	171.1	-79.5	-82.4	0	0	0	110.1
69	D	31.8	Very low	32.3	Very low	142 Å²	142	163.6 Å²	163.6	76%	0.759	82%	0.816	S	S	*	*			trans	-156.9	18.3	163.9	-109.6	-13.4	0	0	0	114.5
70	R	37.8	Very low	32.7	Very low	237 Å²	237	163.7 Å²	163.7	89%	0.894	82%	0.816	S	S	*	*	S	Bend	trans	-95.2	6.4	-177.4	-150.7	147.8	77.8	173.1	5.1	115.6
71	N	31.6	Very low	33.4	Very low	161 Å²	161	165.7 Å²	165.7	86%	0.861	82%	0.821	S	S	*	*	S	Bend	trans	-127.2	12.9	179.3	-75.6	-17.8	0	0	0	114.4
72	L	33.3	Very low	34.1	Very low	134 Å²	134	169.7 Å²	169.7	70%	0.702	82%	0.817	S	S	*	*			trans	-104.9	19.3	178.3	-133.1	83.3	0	0	0	114.1
73	A	36.5	Very low	34.6	Very low	93 Å²	93	170.5 Å²	170.5	77%	0.769	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	18.6	-178.2	0	0	0	0	0	114.1
74	L	32.8	Very low	35.5	Very low	151 Å²	151	167 Å²	167	79%	0.791	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	3.8	-177.4	-136.8	130	0	0	0	114.2
75	F	30.3	Very low	36.7	Very low	167 Å²	167	160.2 Å²	160.2	73%	0.732	78%	0.784	S	S	*	*	S	Bend	trans	-127.4	11.6	178.2	-74.2	-74.9	0	0	0	114.5	E77	F75-E77 PolarHBondContact O-N 3.39Å
76	E	35.6	Very low	37.4	Very low	168 Å²	168	155.6 Å²	155.6	79%	0.785	77%	0.765	S	S	*	*	G	3₁₀ helix	trans	-78.7	-1.7	174.5	-106.7	-175.5	165.4	0	0	114.1	E78	E76-E78 VanDerWaalsContact C-N 3.35Å; E76-E78 PolarHBondContact O-N 2.72Å
77	E	39.6	Very low	38.5	Very low	194 Å²	194	150.9 Å²	150.9	91%	0.907	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-80.6	-2.9	176.5	-86.1	-170.7	156.1	0	0	115	F75	F75-E77 PolarHBondContact O-N 3.39Å
78	E	33.7	Very low	39.4	Very low	165 Å²	165	146.2 Å²	146.2	77%	0.771	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-112.4	9.9	-177	-84.7	-170.5	156.1	0	0	116.8	E76	E76-E78 VanDerWaalsContact C-N 3.35Å; E76-E78 PolarHBondContact O-N 2.72Å
79	L	35.3	Very low	40.6	Very low	147 Å²	147	140.5 Å²	140.5	77%	0.77	71%	0.711	S	S	*	*			trans	-93.5	10.4	175.8	-90.3	158.8	0	0	0	115.2	I81	L79-I81 PolarHBondContact O-N 3.41Å
80	D	36.1	Very low	41.7	Very low	149 Å²	149	136.7 Å²	136.7	80%	0.797	70%	0.695	S	S	*	*			trans	-83.8	40.9	-179.1	-119.3	8.6	0	0	0	113.7
81	I	42.9	Very low	42.9	Very low	163 Å²	163	133.7 Å²	133.7	84%	0.836	68%	0.684	S	S	*	*			trans	-112.8	62.1	166.3	-45.5	178.4	0	0	0	109.1	L79	L79-I81 PolarHBondContact O-N 3.41Å
82	R	42.4	Very low	44.3	Very low	207 Å²	207	129.9 Å²	129.9	78%	0.781	66%	0.663	S	S	*	*	S	Bend	trans	-117.2	147.3	154.3	-74	-173	-179.9	-170.9	1.7	107.4	K84	R82-K84 PolarHBondContact O-N 3.18Å
83	P	41.7	Very low	45.5	Very low	95 Å²	95	128.5 Å²	128.5	62%	0.617	66%	0.66	S	S	*	*			trans	-58.5	121.4	-165.3	22.7	-32.1	0	0	0	110	V85 S86	P83-V85 PolarHBondContact O-N 3.25Å; P83-S86 PolarHBondContact O-N 3.5Å; P83-S86 PolarHBondContact O-OG 3.36Å
84	K	52.6	Low	46.7	Very low	165 Å²	165	129.6 Å²	129.6	72%	0.717	65%	0.653	S	S	*	*	H	α-helix	trans	-47.7	-22.7	-178.3	-71.8	177.5	176.1	175.2	0	113.7	R82 S87 L88	R82-K84 PolarHBondContact O-N 3.18Å; K84-S87 PolarHBondContact O-OG 3.46Å; K84-L88 WeakPolarHBondContact O-CB 3.3Å; K84-L88 WeakPolarHBondContact O-CD1 3.17Å; K84-L88 WeakPolarHBondContact O-CG 3.45Å; K84-L88 PolarHBondContact O-N 3.27Å; K84-L88 VanDerWaalsContact O-N 3.13Å
85	V	50.2	Low	48.5	Very low	99 Å²	99	122.6 Å²	122.6	60%	0.6	62%	0.616	S	S	*	*	H	α-helix	trans	-68.8	-39.7	176.1	-173.8	0	0	0	0	112	P83 L88 L89	P83-V85 PolarHBondContact O-N 3.25Å; V85-L88 PolarHBondContact O-N 3.27Å; V85-L89 HydrophobicContact CG1-CD1 3.88Å; V85-L89 HydrophobicContact CG1-CG 4.26Å; V85-L89 VanDerWaalsContact O-CB 3.3Å; V85-L89 WeakPolarHBondContact O-CB 3.31Å; V85-L89 WeakPolarHBondContact O-CG 3.18Å; V85-L89 PolarHBondContact O-N 2.98Å
86	S	45.7	Very low	50.5	Low	61 Å²	61	116.6 Å²	116.6	43%	0.427	59%	0.593	S	S	.	*	H	α-helix	trans	-70.2	-36.1	-178.4	65.2	0	0	0	0	113.1	P83 S90	P83-S86 PolarHBondContact O-N 3.5Å; P83-S86 PolarHBondContact O-OG 3.36Å; S86-S90 WeakPolarHBondContact O-CB 3.44Å; S86-S90 PolarHBondContact O-N 3.32Å; S86-S90 PolarHBondContact O-OG 2.97Å
87	S	55.3	Low	52.1	Low	51 Å²	51	108.8 Å²	108.8	36%	0.357	56%	0.557	S	S	.	*	H	α-helix	trans	-76.2	-31.6	174.7	61.2	0	0	0	0	112.7	K84 S90 R91	K84-S87 PolarHBondContact O-OG 3.46Å; S87-S90 WeakPolarHBondContact CA-OG 3.34Å; S87-S90 PolarHBondContact O-OG 3.13Å; S87-S90 VanDerWaalsContact O-OG 3.04Å; S87-R91 WeakPolarHBondContact O-CB 3.43Å; S87-R91 VanDerWaalsContact O-CG 3.27Å; S87-R91 WeakPolarHBondContact O-CG 3.44Å; S87-R91 PolarHBondContact O-N 3.2Å; S87-R91 VanDerWaalsContact O-N 3.09Å
88	L	50.8	Low	53.8	Low	102 Å²	102	99.9 Å²	99.9	53%	0.534	52%	0.516	S	S	.	.	H	α-helix	trans	-68.5	-42.3	169.3	-74.6	171.1	0	0	0	111.6	K84 V85 R91 L92	K84-L88 WeakPolarHBondContact O-CB 3.3Å; K84-L88 WeakPolarHBondContact O-CD1 3.17Å; K84-L88 WeakPolarHBondContact O-CG 3.45Å; K84-L88 PolarHBondContact O-N 3.27Å; K84-L88 VanDerWaalsContact O-N 3.13Å; V85-L88 PolarHBondContact O-N 3.27Å; L88-R91 PolarHBondContact O-N 2.77Å; L88-L92 WeakPolarHBondContact O-CB 3.12Å; L88-L92 WeakPolarHBondContact O-CD1 3.37Å; L88-L92 WeakPolarHBondContact O-CG 3.32Å; L88-L92 PolarHBondContact O-N 3.14Å
89	L	55.8	Low	55.8	Low	99 Å²	99	92.9 Å²	92.9	52%	0.518	48%	0.484	S	S	.	.	H	α-helix	trans	-64.5	-42.1	175.6	-74.7	172	0	0	0	111.7	V85 R91 L92 V93	V85-L89 HydrophobicContact CG1-CD1 3.88Å; V85-L89 HydrophobicContact CG1-CG 4.26Å; V85-L89 VanDerWaalsContact O-CB 3.3Å; V85-L89 WeakPolarHBondContact O-CB 3.31Å; V85-L89 WeakPolarHBondContact O-CG 3.18Å; V85-L89 PolarHBondContact O-N 2.98Å; L89-R91 VanDerWaalsContact C-N 3.35Å; L89-R91 PolarHBondContact O-N 3.24Å; L89-L92 HydrophobicContact CD2-CD1 4.44Å; L89-L92 WeakPolarHBondContact O-CB 3.43Å; L89-L92 PolarHBondContact O-N 3.36Å; L89-V93 VanDerWaalsContact O-CG2 3.26Å; L89-V93 WeakPolarHBondContact O-CG2 3.1Å; L89-V93 PolarHBondContact O-N 2.99Å
90	S	56.3	Low	57.7	Low	63 Å²	63	86.5 Å²	86.5	44%	0.441	45%	0.451	S	S	.	.	H	α-helix	trans	-66.1	-35.4	175.9	69.3	0	0	0	0	112.6	S86 S87 V93 N94	S86-S90 WeakPolarHBondContact O-CB 3.44Å; S86-S90 PolarHBondContact O-N 3.32Å; S86-S90 PolarHBondContact O-OG 2.97Å; S87-S90 WeakPolarHBondContact CA-OG 3.34Å; S87-S90 PolarHBondContact O-OG 3.13Å; S87-S90 VanDerWaalsContact O-OG 3.04Å; S90-V93 PolarHBondContact O-N 2.75Å; S90-N94 PolarHBondContact O-N 3.01Å
91	R	63.2	Low	59.4	Low	173 Å²	173	79.9 Å²	79.9	65%	0.653	42%	0.417	S	S	*	.	H	α-helix	trans	-68.6	-34.8	171.1	-74.1	178	-179.8	-175.3	3.1	112.9	S87 L88 L89 N94 Y95 M128	S87-R91 WeakPolarHBondContact O-CB 3.43Å; S87-R91 VanDerWaalsContact O-CG 3.27Å; S87-R91 WeakPolarHBondContact O-CG 3.44Å; S87-R91 PolarHBondContact O-N 3.2Å; S87-R91 VanDerWaalsContact O-N 3.09Å; L88-R91 PolarHBondContact O-N 2.77Å; L89-R91 VanDerWaalsContact C-N 3.35Å; L89-R91 PolarHBondContact O-N 3.24Å; R91-N94 PolarHBondContact O-N 3.45Å; R91-Y95 PolarHBondContact O-N 3Å; R91-M128 WeakPolarHBondContact O-CE 3.47Å
92	L	60	Low	61	Low	81 Å²	81	72.2 Å²	72.2	42%	0.424	38%	0.378	S	S	.	.	H	α-helix	trans	-68.4	-35.6	173.3	-81.8	157.3	0	0	0	112.6	L88 L89 N94 Y95 M128	L88-L92 WeakPolarHBondContact O-CB 3.12Å; L88-L92 WeakPolarHBondContact O-CD1 3.37Å; L88-L92 WeakPolarHBondContact O-CG 3.32Å; L88-L92 PolarHBondContact O-N 3.14Å; L89-L92 HydrophobicContact CD2-CD1 4.44Å; L89-L92 WeakPolarHBondContact O-CB 3.43Å; L89-L92 PolarHBondContact O-N 3.36Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.4Å; L92-Y95 WeakPolarHBondContact O-CB 3.37Å; L92-Y95 PolarHBondContact O-N 3.33Å; L92-Y95 VanDerWaalsContact O-N 3.13Å; L92-M128 HydrophobicContact CD2-CE 4Å; L92-M128 HydrophobicContact CG-CE 4.32Å
93	V	58.2	Low	62.8	Low	105 Å²	105	65.4 Å²	65.4	64%	0.636	35%	0.354	S	S	*	.	H	α-helix	trans	-66.6	-30.4	175.6	169.6	0	0	0	0	111.7	L89 S90 Y95	L89-V93 VanDerWaalsContact O-CG2 3.26Å; L89-V93 WeakPolarHBondContact O-CG2 3.1Å; L89-V93 PolarHBondContact O-N 2.99Å; S90-V93 PolarHBondContact O-N 2.75Å; V93-Y95 VanDerWaalsContact C-N 3.3Å
94	N	62.5	Low	64.5	Low	117 Å²	117	64 Å²	64	63%	0.626	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	12.8	174.2	-67.5	-21.5	0	0	0	113.4	S90 R91 L92 T96	S90-N94 PolarHBondContact O-N 3.01Å; R91-N94 PolarHBondContact O-N 3.45Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.4Å; N94-T96 PolarHBondContact O-N 3.32Å
95	Y	70.6	Confident	65.8	Low	4 Å²	4	57 Å²	57	2%	0.016	31%	0.309	C	S	.	.			trans	-65.9	119.4	171.7	-175.9	-114.9	0	0	0	110.2	R91 L92 V93 N97 M128 L132 P133 Q136 N280 A283 L287	R91-Y95 PolarHBondContact O-N 3Å; L92-Y95 WeakPolarHBondContact O-CB 3.37Å; L92-Y95 PolarHBondContact O-N 3.33Å; L92-Y95 VanDerWaalsContact O-N 3.13Å; V93-Y95 VanDerWaalsContact C-N 3.3Å; Y95-N97 HydrophobicContact CE1-CB 3.93Å; Y95-M128 VanDerWaalsContact CB-CE 3.45Å; Y95-M128 HydrophobicContact CD2-CE 3.43Å; Y95-M128 VanDerWaalsContact CD2-CE 3.43Å; Y95-M128 HydrophobicContact CD2-CG 4.22Å; Y95-M128 HydrophobicContact CD2-SD 3.64Å; Y95-M128 HydrophobicContact CE2-CE 4.49Å; Y95-M128 HydrophobicContact CE2-SD 4.21Å; Y95-M128 HydrophobicContact CG-CE 3.77Å; Y95-L132 HydrophobicContact CE2-CB 4.25Å; Y95-P133 HydrophobicContact CE2-CG 4.09Å; Y95-Q136 PolarHBondContact OH-OE1 2.99Å; Y95-N280 VanDerWaalsContact O-O 3.14Å; Y95-A283 HydrophobicContact CD1-CB 3.79Å; Y95-A283 HydrophobicContact CE1-CB 3.8Å; Y95-L287 HydrophobicContact CE1-CD2 4.46Å
96	T	72.3	Confident	67.1	Low	40 Å²	40	56.2 Å²	56.2	25%	0.245	30%	0.299	C	S	.	.			trans	-104.5	148.6	163	56.3	0	0	0	0	107.1	N94 N280 R446	N94-T96 PolarHBondContact O-N 3.32Å; T96-N280 HydrophobicContact CG2-CB 4.11Å; T96-R446 VanDerWaalsContact C-CZ 3.49Å; T96-R446 PolarHBondContact O-NE 3.39Å; T96-R446 PolarHBondContact O-NH1 2.98Å; T96-R446 PolarHBondContact O-NH2 3.16Å; T96-R446 PolarHBondContact OG1-NE 3.42Å
97	N	69.2	Low	68.7	Low	5 Å²	5	58.5 Å²	58.5	3%	0.027	30%	0.303	C	S	.	.			trans	-110.5	-13.4	168	70.8	-15.9	0	0	0	112.7	Y95 Q136 A283 R446 Q527	Y95-N97 HydrophobicContact CE1-CB 3.93Å; N97-Q136 PolarHBondContact ND2-NE2 2.97Å; N97-A283 HydrophobicContact CB-CB 3.8Å; N97-A283 VanDerWaalsContact OD1-CB 3.29Å; N97-A283 WeakPolarHBondContact OD1-CB 3.44Å; N97-R446 VanDerWaalsContact C-NH2 3.28Å; N97-R446 PolarHBondContact O-NH2 3.12Å; N97-Q527 PolarHBondContact ND2-OE1 3.16Å; N97-Q527 PolarHBondContact O-NE2 2.99Å
98	V	74.6	Confident	69.4	Low	7 Å²	7	60.1 Å²	60.1	4%	0.042	31%	0.305	C	S	.	.	S	Bend	trans	-76.1	158.1	-169.4	179.4	0	0	0	0	112.7	V276 N280	V98-V276 HydrophobicContact CG1-CG1 4.09Å; V98-V276 HydrophobicContact CG2-CG1 4.32Å; V98-N280 VanDerWaalsContact CB-OD1 3.28Å; V98-N280 WeakPolarHBondContact CB-OD1 3.36Å; V98-N280 WeakPolarHBondContact CG2-OD1 3.27Å
99	T	75.4	Confident	70.4	Confident	18 Å²	18	60.5 Å²	60.5	11%	0.11	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-74.3	138.7	-177.5	68	0	0	0	0	112.9	N445 R534	T99-N445 HydrophobicContact CG2-CB 3.98Å; T99-N445 WeakPolarHBondContact CG2-ND2 3.14Å; T99-R534 WeakPolarHBondContact O-CD 3.46Å; T99-R534 PolarHBondContact O-NH1 3.35Å
100	Q	76.4	Confident	71	Confident	13 Å²	13	59.2 Å²	59.2	6%	0.061	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-67.2	154.2	165.9	-71.1	-173.3	-23.7	0	0	111	E104 N445 R446 D449	Q100-E104 WeakPolarHBondContact CA-OE2 3.18Å; Q100-E104 WeakPolarHBondContact CB-OE2 3.38Å; Q100-E104 WeakPolarHBondContact CG-OE2 3.48Å; Q100-N445 VanDerWaalsContact CB-O 3.23Å; Q100-N445 WeakPolarHBondContact CB-O 3.33Å; Q100-N445 WeakPolarHBondContact CG-O 3.45Å; Q100-N445 PolarHBondContact N-O 2.93Å; Q100-R446 HydrophobicContact CG-CG 4.43Å; Q100-D449 PolarHBondContact NE2-OD1 3.47Å; Q100-D449 PolarHBondContact NE2-OD2 3.09Å
101	G	71.7	Confident	71.3	Confident	9 Å²	9	59 Å²	59	9%	0.093	31%	0.305	C	S	.	.			trans	-140.2	-175.9	-172.7	0	0	0	0	0	113.9	K103 E104 H105	G101-K103 PolarHBondContact O-N 3.45Å; G101-K103 VanDerWaalsContact O-N 3.12Å; G101-E104 PolarHBondContact N-OE2 3Å; G101-E104 PolarHBondContact O-N 2.85Å; G101-E104 VanDerWaalsContact O-N 3.15Å; G101-H105 PolarHBondContact O-N 3.06Å
102	A	77.1	Confident	71	Confident	2 Å²	2	58 Å²	58	2%	0.017	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-25.9	-170.4	0	0	0	0	0	115	E106 F193 A538 K541	A102-E106 VanDerWaalsContact O-CG 3.32Å; A102-E106 WeakPolarHBondContact O-CG 3.5Å; A102-E106 PolarHBondContact O-N 2.82Å; A102-E106 VanDerWaalsContact O-N 3.09Å; A102-F193 HydrophobicContact CB-CE2 4.43Å; A102-F193 HydrophobicContact CB-CZ 4.3Å; A102-A538 HydrophobicContact CB-CB 4.27Å; A102-K541 HydrophobicContact CB-CD 3.71Å; A102-K541 HydrophobicContact CB-CG 4.42Å
103	K	79.9	Confident	70.8	Confident	65 Å²	65	58.6 Å²	58.6	28%	0.283	32%	0.324	S	S	.	.	H	α-helix	trans	-68.5	-40.1	177	180	172.9	172	176.3	0	112.5	G101 H105 E106 E107 A556 N557	G101-K103 PolarHBondContact O-N 3.45Å; G101-K103 VanDerWaalsContact O-N 3.12Å; K103-H105 VanDerWaalsContact C-N 3.33Å; K103-E106 PolarHBondContact O-N 3.11Å; K103-E107 WeakPolarHBondContact CE-OE1 3.35Å; K103-E107 HydrophobicContact CG-CG 4.5Å; K103-E107 WeakPolarHBondContact O-CG 3.37Å; K103-E107 PolarHBondContact O-N 3.48Å; K103-A556 PolarHBondContact NZ-O 3.28Å; K103-N557 WeakPolarHBondContact CD-O 3.49Å; K103-N557 VanDerWaalsContact NZ-C 3.28Å; K103-N557 PolarHBondContact NZ-O 2.92Å; K103-N557 VanDerWaalsContact NZ-O 3.08Å
104	E	77.8	Confident	70.5	Confident	66 Å²	66	56.6 Å²	56.6	31%	0.308	32%	0.315	S	S	.	.	H	α-helix	trans	-69.5	-35.7	179.4	-68.9	155.5	169	0	0	110.5	Q100 G101 E107 E108	Q100-E104 WeakPolarHBondContact CA-OE2 3.18Å; Q100-E104 WeakPolarHBondContact CB-OE2 3.38Å; Q100-E104 WeakPolarHBondContact CG-OE2 3.48Å; G101-E104 PolarHBondContact N-OE2 3Å; G101-E104 PolarHBondContact O-N 2.85Å; G101-E104 VanDerWaalsContact O-N 3.15Å; E104-E107 PolarHBondContact O-N 2.77Å; E104-E108 PolarHBondContact O-N 3.23Å; E104-E108 VanDerWaalsContact O-N 3.08Å
105	H	78.6	Confident	69.7	Low	17 Å²	17	62.1 Å²	62.1	8%	0.079	33%	0.327	C	S	.	.	H	α-helix	trans	-60.7	-46.1	170.8	-174	-69.9	0	0	0	111.9	G101 K103 E107 E108 E109 A188 F193	G101-H105 PolarHBondContact O-N 3.06Å; K103-H105 VanDerWaalsContact C-N 3.33Å; H105-E107 PolarHBondContact O-N 2.93Å; H105-E108 PolarHBondContact O-N 2.89Å; H105-E109 VanDerWaalsContact CE1-CD 3.42Å; H105-E109 IonicContact CE1-OE1 2.78Å; H105-E109 PolarHBondContact CE1-OE1 2.83Å; H105-E109 IonicContact CE1-OE2 3.74Å; H105-E109 IonicContact ND1-OE1 3.96Å; H105-E109 IonicContact ND1-OE2 3.95Å; H105-E109 PolarHBondContact O-N 2.66Å; H105-E109 VanDerWaalsContact O-N 3.09Å; H105-A188 WeakPolarHBondContact CB-O 3.44Å; H105-A188 PolarHBondContact CD2-O 3.22Å; H105-F193 HydrophobicContact CB-CD2 4.36Å; H105-F193 HydrophobicContact CB-CE2 4.03Å; H105-F193 HydrophobicContact CB-CZ 4.25Å; H105-F193 AromaticContact CD2-CD1 3.43Å; H105-F193 VanDerWaalsContact CD2-CD1 3.43Å; H105-F193 WeakPolarHBondContact CD2-CD1 3.46Å; H105-F193 AromaticContact CD2-CD2 3.72Å; H105-F193 AromaticContact CD2-CE1 3.76Å; H105-F193 AromaticContact CD2-CG 3.4Å; H105-F193 VanDerWaalsContact CD2-CG 3.4Å; H105-F193 WeakPolarHBondContact CD2-CG 3.45Å; H105-F193 AromaticContact NE2-CD1 3.49Å; H105-F193 WeakPolarHBondContact NE2-CD1 3.39Å; H105-F193 AromaticContact NE2-CE1 3.87Å; H105-F193 AromaticContact NE2-CG 3.88Å
106	E	78.7	Confident	68.1	Low	82 Å²	82	73.8 Å²	73.8	38%	0.383	37%	0.371	S	S	.	.	H	α-helix	trans	-64.3	-37.6	176.9	-73.7	166	-179.7	0	0	112.6	A102 K103 S110 K541	A102-E106 VanDerWaalsContact O-CG 3.32Å; A102-E106 WeakPolarHBondContact O-CG 3.5Å; A102-E106 PolarHBondContact O-N 2.82Å; A102-E106 VanDerWaalsContact O-N 3.09Å; K103-E106 PolarHBondContact O-N 3.11Å; E106-S110 VanDerWaalsContact O-CB 3.28Å; E106-S110 WeakPolarHBondContact O-CB 3.45Å; E106-S110 PolarHBondContact O-N 3.11Å; E106-S110 PolarHBondContact O-OG 3.04Å; E106-K541 WeakPolarHBondContact OE1-CD 3.39Å; E106-K541 WeakPolarHBondContact OE1-CE 3.01Å; E106-K541 IonicContact OE1-NZ 2.63Å; E106-K541 PolarHBondContact OE1-NZ 3.25Å; E106-K541 IonicContact OE2-NZ 3.72Å; E106-K541 PolarHBondContact OE2-NZ 3.47Å
107	E	77.4	Confident	66.3	Low	109 Å²	109	80.6 Å²	80.6	51%	0.509	40%	0.398	S	S	.	.	H	α-helix	trans	-65.6	-37.8	177.1	-77.1	179	-169.6	0	0	112	K103 E104 H105 A111	K103-E107 WeakPolarHBondContact CE-OE1 3.35Å; K103-E107 HydrophobicContact CG-CG 4.5Å; K103-E107 WeakPolarHBondContact O-CG 3.37Å; K103-E107 PolarHBondContact O-N 3.48Å; E104-E107 PolarHBondContact O-N 2.77Å; H105-E107 PolarHBondContact O-N 2.93Å; E107-A111 WeakPolarHBondContact O-CB 3.19Å; E107-A111 PolarHBondContact O-N 3.4Å
108	E	70.7	Confident	64.6	Low	86 Å²	86	86.7 Å²	86.7	40%	0.402	44%	0.435	S	S	.	.	H	α-helix	trans	-71.2	-45.4	175.7	-76.2	-164.5	-164.4	0	0	113.2	E104 H105 S110 A111 E112 A188	E104-E108 PolarHBondContact O-N 3.23Å; E104-E108 VanDerWaalsContact O-N 3.08Å; H105-E108 PolarHBondContact O-N 2.89Å; E108-S110 PolarHBondContact O-N 3.3Å; E108-A111 PolarHBondContact O-N 2.91Å; E108-A111 VanDerWaalsContact O-N 3.11Å; E108-E112 WeakPolarHBondContact O-CB 3.17Å; E108-E112 PolarHBondContact O-N 3.28Å; E108-A188 HydrophobicContact CG-CB 4.04Å; E108-A188 WeakPolarHBondContact OE1-CB 3.28Å; E108-A188 WeakPolarHBondContact OE2-CB 3.46Å
109	E	71.1	Confident	62.8	Low	109 Å²	109	92.1 Å²	92.1	51%	0.509	47%	0.47	S	S	.	.	H	α-helix	trans	-58.1	-38	174.1	-74.5	-173.4	150	0	0	111.1	H105 A113	H105-E109 VanDerWaalsContact CE1-CD 3.42Å; H105-E109 IonicContact CE1-OE1 2.78Å; H105-E109 PolarHBondContact CE1-OE1 2.83Å; H105-E109 IonicContact CE1-OE2 3.74Å; H105-E109 IonicContact ND1-OE1 3.96Å; H105-E109 IonicContact ND1-OE2 3.95Å; H105-E109 PolarHBondContact O-N 2.66Å; H105-E109 VanDerWaalsContact O-N 3.09Å; E109-A113 WeakPolarHBondContact O-CB 3.35Å; E109-A113 PolarHBondContact O-N 3.27Å; E109-A113 VanDerWaalsContact O-N 3.1Å
110	S	69.9	Low	61.3	Low	72 Å²	72	100.9 Å²	100.9	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-70.2	-37.6	176.4	-59	0	0	0	0	112.9	E106 E108 A113 S114	E106-S110 VanDerWaalsContact O-CB 3.28Å; E106-S110 WeakPolarHBondContact O-CB 3.45Å; E106-S110 PolarHBondContact O-N 3.11Å; E106-S110 PolarHBondContact O-OG 3.04Å; E108-S110 PolarHBondContact O-N 3.3Å; S110-A113 PolarHBondContact O-N 3.42Å; S110-S114 WeakPolarHBondContact O-CB 3.45Å; S110-S114 PolarHBondContact O-N 3.32Å; S110-S114 PolarHBondContact O-OG 3.42Å
111	A	61.2	Low	59.6	Low	59 Å²	59	103.9 Å²	103.9	49%	0.488	53%	0.53	S	S	.	.	H	α-helix	trans	-68.4	-37	176.7	0	0	0	0	0	111.6	E107 E108 S114	E107-A111 WeakPolarHBondContact O-CB 3.19Å; E107-A111 PolarHBondContact O-N 3.4Å; E108-A111 PolarHBondContact O-N 2.91Å; E108-A111 VanDerWaalsContact O-N 3.11Å; A111-S114 CarbonylContact O-C 3.4Å; A111-S114 PolarHBondContact O-N 2.73Å
112	E	57.8	Low	58.7	Low	153 Å²	153	106.7 Å²	106.7	72%	0.715	55%	0.546	S	S	*	.	H	α-helix	trans	-68.9	-36.2	176.3	-154.3	169	-158.9	0	0	111.6	E108	E108-E112 WeakPolarHBondContact O-CB 3.17Å; E108-E112 PolarHBondContact O-N 3.28Å
113	A	56.4	Low	58.1	Low	92 Å²	92	112.8 Å²	112.8	76%	0.76	58%	0.578	S	S	*	*	H	α-helix	trans	-71.1	-26.1	172.1	0	0	0	0	0	113.6	E109 S110	E109-A113 WeakPolarHBondContact O-CB 3.35Å; E109-A113 PolarHBondContact O-N 3.27Å; E109-A113 VanDerWaalsContact O-N 3.1Å; S110-A113 PolarHBondContact O-N 3.42Å
114	S	51.5	Low	57.9	Low	64 Å²	64	111 Å²	111	45%	0.448	57%	0.572	S	S	.	*			trans	-113.7	70.8	-177.3	63.7	0	0	0	0	112.3	S110 A111 R116	S110-S114 WeakPolarHBondContact O-CB 3.45Å; S110-S114 PolarHBondContact O-N 3.32Å; S110-S114 PolarHBondContact O-OG 3.42Å; A111-S114 CarbonylContact O-C 3.4Å; A111-S114 PolarHBondContact O-N 2.73Å; S114-R116 PolarHBondContact O-N 3.17Å
115	R	46.2	Very low	58.2	Low	232 Å²	232	109.9 Å²	109.9	88%	0.875	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	50.3	174.5	-75.3	-174	173	-176.9	-1.6	115.3
116	R	36.8	Very low	58.7	Low	250 Å²	250	111.1 Å²	111.1	94%	0.943	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.6	3.2	171.1	-84.8	-169.9	178.9	176.4	0.4	115.6	S114	S114-R116 PolarHBondContact O-N 3.17Å
117	K	33.4	Very low	59.2	Low	183 Å²	183	112.6 Å²	112.6	80%	0.796	60%	0.596	S	S	*	*	S	Bend	trans	-106.1	134.9	166.7	-79.5	-178.8	177.7	175.9	0	110.2
118	T	32.9	Very low	59.5	Low	133 Å²	133	108.8 Å²	108.8	82%	0.816	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-51	126.1	172.5	36.8	0	0	0	0	109.4	K120	T118-K120 PolarHBondContact O-N 3.42Å
119	P	38.3	Very low	60	Low	120 Å²	120	104.7 Å²	104.7	78%	0.779	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-63.3	127.5	177.6	25.3	-31.4	0	0	0	108.4	S121	P119-S121 PolarHBondContact O-N 3.15Å; P119-S121 VanDerWaalsContact O-N 3.16Å
120	K	42.9	Very low	61	Low	203 Å²	203	99.5 Å²	99.5	88%	0.883	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-58.2	119.5	161.2	-95.7	178.5	174.8	174.6	0	106.4	T118 P122	T118-K120 PolarHBondContact O-N 3.42Å; K120-P122 WeakPolarHBondContact O-CD 3.4Å
121	S	42	Very low	62.1	Low	76 Å²	76	97.9 Å²	97.9	53%	0.531	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-60.4	126.8	179.4	56.6	0	0	0	0	110.2	P119 N123	P119-S121 PolarHBondContact O-N 3.15Å; P119-S121 VanDerWaalsContact O-N 3.16Å; S121-N123 PolarHBondContact O-N 3.08Å; S121-N123 PolarHBondContact O-ND2 3.26Å; S121-N123 PolarHBondContact O-OD1 3.17Å; S121-N123 PolarHBondContact OG-OD1 3.37Å
122	P	51.3	Low	63.4	Low	67 Å²	67	96.3 Å²	96.3	44%	0.435	50%	0.502	S	S	.	.			trans	-68	115.4	172	25.5	-30.8	0	0	0	108.7	K120	K120-P122 WeakPolarHBondContact O-CD 3.4Å
123	N	64.4	Low	64.8	Low	130 Å²	130	89.1 Å²	89.1	70%	0.695	47%	0.468	S	S	*	.			trans	-104.3	-3.4	-161.2	-75.2	-22	0	0	0	114.4	S121	S121-N123 PolarHBondContact O-N 3.08Å; S121-N123 PolarHBondContact O-ND2 3.26Å; S121-N123 PolarHBondContact O-OD1 3.17Å; S121-N123 PolarHBondContact OG-OD1 3.37Å
124	M	75.8	Confident	66.5	Low	29 Å²	29	84.7 Å²	84.7	14%	0.143	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-99.1	131	-174.2	-66.5	-158.7	144.1	0	0	113.5	M128 D449 L450 R451	M124-M128 HydrophobicContact CE-CG 4.04Å; M124-D449 PolarHBondContact N-O 3.06Å; M124-L450 HydrophobicContact CB-CD2 4.39Å; M124-R451 PolarHBondContact O-N 3.15Å; M124-R451 VanDerWaalsContact O-N 3.16Å
125	G	85.4	Confident	68.3	Low	41 Å²	41	82.2 Å²	82.2	42%	0.423	41%	0.413	S	S	.	.			trans	-92	174.8	171.2	0	0	0	0	0	113.1	L127 M128 G129	G125-L127 VanDerWaalsContact C-N 3.34Å; G125-L127 PolarHBondContact O-N 3.2Å; G125-M128 PolarHBondContact O-N 2.96Å; G125-G129 PolarHBondContact O-N 3.29Å
126	T	89.3	Confident	70.3	Confident	44 Å²	44	71.6 Å²	71.6	27%	0.27	37%	0.374	S	S	.	.	H	α-helix	trans	-53.6	-42.1	-174.8	-50.4	0	0	0	0	114.6	V130 Y131 S456 V459	T126-V130 WeakPolarHBondContact O-CB 3.26Å; T126-V130 PolarHBondContact O-N 2.7Å; T126-V130 VanDerWaalsContact O-N 3.15Å; T126-Y131 PolarHBondContact O-N 3.28Å; T126-S456 WeakPolarHBondContact CG2-O 3.5Å; T126-S456 WeakPolarHBondContact OG1-CB 3.32Å; T126-S456 PolarHBondContact OG1-OG 2.85Å; T126-V459 HydrophobicContact CG2-CB 4.22Å; T126-V459 HydrophobicContact CG2-CG1 4.18Å
127	L	88.3	Confident	72.7	Confident	112 Å²	112	60.9 Å²	60.9	59%	0.586	34%	0.335	S	S	*	.	I	π-helix	trans	-64.3	-53.4	-177.1	-171.2	95.2	0	0	0	111.4	G125 Y131 L132	G125-L127 VanDerWaalsContact C-N 3.34Å; G125-L127 PolarHBondContact O-N 3.2Å; L127-Y131 HydrophobicContact CD1-CD1 3.95Å; L127-Y131 HydrophobicContact CD1-CE1 4.46Å; L127-Y131 HydrophobicContact CG-CD1 4.43Å; L127-Y131 WeakPolarHBondContact O-CB 3.31Å; L127-Y131 PolarHBondContact O-N 3.06Å; L127-L132 WeakPolarHBondContact O-CG 3.38Å; L127-L132 PolarHBondContact O-N 3.11Å
128	M	83.6	Confident	75.5	Confident	30 Å²	30	52.2 Å²	52.2	15%	0.148	30%	0.297	C	S	.	.	I	π-helix	trans	-80.9	-35.1	-172.5	-163.3	62.9	161.2	0	0	112.7	R91 L92 Y95 M124 G125 L132 P133	R91-M128 WeakPolarHBondContact O-CE 3.47Å; L92-M128 HydrophobicContact CD2-CE 4Å; L92-M128 HydrophobicContact CG-CE 4.32Å; Y95-M128 VanDerWaalsContact CB-CE 3.45Å; Y95-M128 HydrophobicContact CD2-CE 3.43Å; Y95-M128 VanDerWaalsContact CD2-CE 3.43Å; Y95-M128 HydrophobicContact CD2-CG 4.22Å; Y95-M128 HydrophobicContact CD2-SD 3.64Å; Y95-M128 HydrophobicContact CE2-CE 4.49Å; Y95-M128 HydrophobicContact CE2-SD 4.21Å; Y95-M128 HydrophobicContact CG-CE 3.77Å; M124-M128 HydrophobicContact CE-CG 4.04Å; G125-M128 PolarHBondContact O-N 2.96Å; M128-L132 HydrophobicContact SD-CD1 3.76Å; M128-P133 WeakPolarHBondContact O-CD 3.37Å; M128-P133 WeakPolarHBondContact O-CG 3.46Å
129	G	82.1	Confident	78.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	I	π-helix	trans	-85.6	-27.9	-175.6	0	0	0	0	0	114.6	G125	G125-G129 PolarHBondContact O-N 3.29Å
130	V	90.6	Very high	80.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	I	π-helix	trans	-126	-54.5	-173.9	-176.2	0	0	0	0	112.4	T126 P133 C134 L450 I457	T126-V130 WeakPolarHBondContact O-CB 3.26Å; T126-V130 PolarHBondContact O-N 2.7Å; T126-V130 VanDerWaalsContact O-N 3.15Å; V130-P133 WeakPolarHBondContact O-CD 3.49Å; V130-C134 WeakPolarHBondContact O-CB 3.21Å; V130-C134 PolarHBondContact O-N 3.47Å; V130-L450 HydrophobicContact CG2-CD1 3.65Å; V130-L450 HydrophobicContact CG2-CD2 3.8Å; V130-L450 HydrophobicContact CG2-CG 4.4Å; V130-I457 HydrophobicContact CG2-CG1 4.42Å
131	Y	92.9	Very high	82.5	Confident	37 Å²	37	31 Å²	31	15%	0.145	18%	0.183	C	C	.	.	I	π-helix	trans	-64.8	-54.9	-171.8	173.3	-101.8	0	0	0	113.3	T126 L127 C134 L135 L463 A464 T467	T126-Y131 PolarHBondContact O-N 3.28Å; L127-Y131 HydrophobicContact CD1-CD1 3.95Å; L127-Y131 HydrophobicContact CD1-CE1 4.46Å; L127-Y131 HydrophobicContact CG-CD1 4.43Å; L127-Y131 WeakPolarHBondContact O-CB 3.31Å; L127-Y131 PolarHBondContact O-N 3.06Å; Y131-C134 PolarHBondContact O-N 3.29Å; Y131-L135 HydrophobicContact CE1-CD1 4.1Å; Y131-L135 HydrophobicContact CE2-CD1 4.36Å; Y131-L135 WeakPolarHBondContact O-CB 3.18Å; Y131-L135 PolarHBondContact O-N 3.33Å; Y131-L463 HydrophobicContact CD2-CB 4.05Å; Y131-L463 HydrophobicContact CD2-CD2 3.89Å; Y131-L463 HydrophobicContact CD2-CG 3.98Å; Y131-L463 HydrophobicContact CE2-CB 4.22Å; Y131-L463 HydrophobicContact CE2-CD2 3.91Å; Y131-L463 HydrophobicContact CE2-CG 3.76Å; Y131-A464 HydrophobicContact CD2-CB 3.83Å; Y131-A464 HydrophobicContact CE2-CB 4.13Å; Y131-T467 PolarHBondContact OH-OG1 3.5Å; Y131-T467 VanDerWaalsContact OH-OG1 3.07Å
132	L	89.5	Confident	84.9	Confident	27 Å²	27	27.5 Å²	27.5	14%	0.141	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-42.6	-179.7	-64.7	177.3	0	0	0	113	Y95 L127 M128 C134 L135 Q136 L287	Y95-L132 HydrophobicContact CE2-CB 4.25Å; L127-L132 WeakPolarHBondContact O-CG 3.38Å; L127-L132 PolarHBondContact O-N 3.11Å; M128-L132 HydrophobicContact SD-CD1 3.76Å; L132-C134 VanDerWaalsContact C-N 3.34Å; L132-C134 PolarHBondContact O-N 3.19Å; L132-L135 PolarHBondContact O-N 3.08Å; L132-Q136 WeakPolarHBondContact O-CB 3.43Å; L132-Q136 PolarHBondContact O-N 3.01Å; L132-L287 HydrophobicContact CB-CD2 4.13Å; L132-L287 HydrophobicContact CD1-CD2 4.21Å; L132-L287 HydrophobicContact CD2-CD2 4.23Å; L132-L287 HydrophobicContact CG-CD2 4.42Å
133	P	87.7	Confident	86.9	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-61.7	-38.9	174	-27.7	37.9	0	0	0	113.8	Y95 M128 V130 N137 R446	Y95-P133 HydrophobicContact CE2-CG 4.09Å; M128-P133 WeakPolarHBondContact O-CD 3.37Å; M128-P133 WeakPolarHBondContact O-CG 3.46Å; V130-P133 WeakPolarHBondContact O-CD 3.49Å; P133-N137 PolarHBondContact O-N 3.33Å; P133-N137 PolarHBondContact O-ND2 2.93Å; P133-R446 VanDerWaalsContact CB-NH2 3.31Å
134	C	90.4	Very high	88.2	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.9	-47.5	176.3	-168	0	0	0	0	110.6	V130 Y131 L132 Q136 N137 I138 A464	V130-C134 WeakPolarHBondContact O-CB 3.21Å; V130-C134 PolarHBondContact O-N 3.47Å; Y131-C134 PolarHBondContact O-N 3.29Å; L132-C134 VanDerWaalsContact C-N 3.34Å; L132-C134 PolarHBondContact O-N 3.19Å; C134-Q136 VanDerWaalsContact C-N 3.33Å; C134-Q136 PolarHBondContact O-N 3.43Å; C134-N137 PolarHBondContact O-N 3.43Å; C134-I138 VanDerWaalsContact O-CG1 3.31Å; C134-I138 WeakPolarHBondContact O-CG1 3.42Å; C134-I138 PolarHBondContact O-N 3.06Å; C134-I138 VanDerWaalsContact O-N 3.07Å; C134-A464 HydrophobicContact CB-CB 3.7Å
135	L	90.3	Very high	88.9	Confident	11 Å²	11	17.3 Å²	17.3	6%	0.058	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-40.5	178.1	-173.6	144.4	0	0	0	112.5	Y131 L132 N137 I138 F139 L287 T467 T468	Y131-L135 HydrophobicContact CE1-CD1 4.1Å; Y131-L135 HydrophobicContact CE2-CD1 4.36Å; Y131-L135 WeakPolarHBondContact O-CB 3.18Å; Y131-L135 PolarHBondContact O-N 3.33Å; L132-L135 PolarHBondContact O-N 3.08Å; L135-N137 VanDerWaalsContact C-N 3.33Å; L135-N137 PolarHBondContact O-N 3.24Å; L135-I138 PolarHBondContact O-N 3.41Å; L135-F139 HydrophobicContact CD1-CE2 4.12Å; L135-F139 HydrophobicContact CD2-CD2 3.59Å; L135-F139 HydrophobicContact CD2-CE2 3.56Å; L135-F139 HydrophobicContact CG-CD2 3.85Å; L135-F139 HydrophobicContact CG-CE2 3.57Å; L135-F139 WeakPolarHBondContact O-CD2 3.4Å; L135-F139 PolarHBondContact O-N 3.08Å; L135-L287 HydrophobicContact CD2-CD1 4.04Å; L135-T467 HydrophobicContact CD1-CG2 4.07Å; L135-T468 HydrophobicContact CG-CG2 4.47Å
136	Q	88.3	Confident	89.3	Confident	10 Å²	10	15.4 Å²	15.4	5%	0.047	8%	0.08	C	C	.	.	H	α-helix	trans	-65.7	-33.2	177.8	-172	169.6	1.8	0	0	113.4	Y95 N97 L132 C134 A283 L287	Y95-Q136 PolarHBondContact OH-OE1 2.99Å; N97-Q136 PolarHBondContact ND2-NE2 2.97Å; L132-Q136 WeakPolarHBondContact O-CB 3.43Å; L132-Q136 PolarHBondContact O-N 3.01Å; C134-Q136 VanDerWaalsContact C-N 3.33Å; C134-Q136 PolarHBondContact O-N 3.43Å; Q136-A283 PolarHBondContact NE2-O 2.98Å; Q136-L287 HydrophobicContact CB-CD1 4.17Å
137	N	87	Confident	89.5	Confident	24 Å²	24	13.3 Å²	13.3	13%	0.128	7%	0.067	C	C	.	.	H	α-helix	trans	-84.9	-25.1	-179.6	-80.5	-71.1	0	0	0	113.6	P133 C134 L135 A442 Q527	P133-N137 PolarHBondContact O-N 3.33Å; P133-N137 PolarHBondContact O-ND2 2.93Å; C134-N137 PolarHBondContact O-N 3.43Å; L135-N137 VanDerWaalsContact C-N 3.33Å; L135-N137 PolarHBondContact O-N 3.24Å; N137-A442 HydrophobicContact CB-CB 3.78Å; N137-A442 WeakPolarHBondContact ND2-CB 3.32Å; N137-Q527 PolarHBondContact ND2-NE2 3.36Å; N137-Q527 PolarHBondContact OD1-NE2 3.03Å; N137-Q527 PolarHBondContact OD1-OE1 3.49Å; N137-Q527 VanDerWaalsContact OD1-OE1 3.05Å
138	I	91.6	Very high	89.8	Confident	2 Å²	2	8.4 Å²	8.4	1%	0.01	4%	0.042	C	C	.	.	H	α-helix	trans	-77.3	-42.6	176.5	-64.9	165	0	0	0	110.4	C134 L135 G140 S436 T438 I465 T468 Y472	C134-I138 VanDerWaalsContact O-CG1 3.31Å; C134-I138 WeakPolarHBondContact O-CG1 3.42Å; C134-I138 PolarHBondContact O-N 3.06Å; C134-I138 VanDerWaalsContact O-N 3.07Å; L135-I138 PolarHBondContact O-N 3.41Å; I138-G140 PolarHBondContact O-N 3.21Å; I138-G140 VanDerWaalsContact O-N 3.13Å; I138-S436 VanDerWaalsContact CG2-O 3.3Å; I138-S436 WeakPolarHBondContact CG2-O 3.34Å; I138-S436 VanDerWaalsContact O-O 3.09Å; I138-T438 WeakPolarHBondContact CA-O 3.36Å; I138-T438 WeakPolarHBondContact CG1-O 3.38Å; I138-I465 HydrophobicContact CD1-CG1 4.24Å; I138-T468 HydrophobicContact CB-CG2 3.92Å; I138-T468 HydrophobicContact CD1-CG2 4.13Å; I138-T468 HydrophobicContact CG2-CG2 3.63Å; I138-Y472 HydrophobicContact CG2-CE2 4.28Å; I138-Y472 PolarHBondContact O-OH 3.4Å
139	F	90.8	Very high	90.4	Very high	6 Å²	6	7.5 Å²	7.5	3%	0.026	4%	0.037	C	C	.	.			trans	-71.8	110.5	177	-71.7	-46.9	0	0	0	111	L135 L143 V290 I294 T468 V471	L135-F139 HydrophobicContact CD1-CE2 4.12Å; L135-F139 HydrophobicContact CD2-CD2 3.59Å; L135-F139 HydrophobicContact CD2-CE2 3.56Å; L135-F139 HydrophobicContact CG-CD2 3.85Å; L135-F139 HydrophobicContact CG-CE2 3.57Å; L135-F139 WeakPolarHBondContact O-CD2 3.4Å; L135-F139 PolarHBondContact O-N 3.08Å; F139-L143 HydrophobicContact CD1-CD2 4.01Å; F139-L143 HydrophobicContact CE1-CD2 4.36Å; F139-V290 HydrophobicContact CB-CG1 3.76Å; F139-V290 HydrophobicContact CD2-CG1 3.81Å; F139-V290 HydrophobicContact CG-CG1 4.02Å; F139-I294 HydrophobicContact CD1-CD1 4.15Å; F139-I294 HydrophobicContact CD2-CD1 3.9Å; F139-I294 HydrophobicContact CE1-CD1 3.95Å; F139-I294 HydrophobicContact CE2-CD1 3.65Å; F139-I294 HydrophobicContact CG-CD1 4.15Å; F139-I294 HydrophobicContact CZ-CD1 3.69Å; F139-T468 HydrophobicContact CD1-CG2 4.37Å; F139-T468 HydrophobicContact CD2-CG2 4.44Å; F139-T468 HydrophobicContact CE1-CG2 3.89Å; F139-T468 HydrophobicContact CE2-CG2 3.99Å; F139-T468 HydrophobicContact CZ-CG2 3.68Å; F139-V471 HydrophobicContact CE1-CB 4.19Å; F139-V471 HydrophobicContact CE1-CG1 3.93Å; F139-V471 HydrophobicContact CZ-CB 4.14Å; F139-V471 HydrophobicContact CZ-CG1 4.12Å; F139-V471 HydrophobicContact CZ-CG2 4.17Å
140	G	82.9	Confident	91	Very high	3 Å²	3	7.6 Å²	7.6	3%	0.031	4%	0.037	C	C	.	.			trans	-128.8	-169.7	-178.3	0	0	0	0	0	113.7	I138 I142 L143	I138-G140 PolarHBondContact O-N 3.21Å; I138-G140 VanDerWaalsContact O-N 3.13Å; G140-I142 PolarHBondContact O-N 3.4Å; G140-L143 PolarHBondContact O-N 2.95Å
141	V	89	Confident	91.3	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.012	4%	0.037	C	C	.	.	H	α-helix	trans	-56.5	-32.9	-177	69.8	0	0	0	0	114.1	L143 F144 L145 M221 Y222 T521 L580	V141-L143 VanDerWaalsContact C-N 3.29Å; V141-L143 PolarHBondContact O-N 3.21Å; V141-F144 PolarHBondContact O-N 3.15Å; V141-F144 VanDerWaalsContact O-N 3.13Å; V141-L145 HydrophobicContact CG2-CB 4.24Å; V141-L145 HydrophobicContact CG2-CD1 3.82Å; V141-L145 HydrophobicContact CG2-CD2 3.8Å; V141-L145 HydrophobicContact CG2-CG 4.15Å; V141-L145 PolarHBondContact O-N 3.24Å; V141-M221 HydrophobicContact CG1-CE 4.04Å; V141-Y222 HydrophobicContact CB-CD1 4.41Å; V141-Y222 HydrophobicContact CG1-CD1 4.24Å; V141-Y222 HydrophobicContact CG1-CE1 4.44Å; V141-T521 HydrophobicContact CB-CG2 3.43Å; V141-T521 VanDerWaalsContact CB-CG2 3.43Å; V141-T521 HydrophobicContact CG2-CG2 3.53Å; V141-L580 HydrophobicContact CG1-CD1 4.32Å; V141-L580 HydrophobicContact CG2-CD1 4.43Å
142	I	92.2	Very high	91.3	Very high	2 Å²	2	6.1 Å²	6.1	1%	0.01	3%	0.033	C	C	.	.	H	α-helix	trans	-63.3	-35	-173.1	-58.1	-59.9	0	0	0	111.7	G140 F144 R146 L147 F433 L580	G140-I142 PolarHBondContact O-N 3.4Å; I142-F144 VanDerWaalsContact C-N 3.25Å; I142-F144 PolarHBondContact O-N 3.41Å; I142-R146 HydrophobicContact CD1-CB 4.41Å; I142-R146 HydrophobicContact CD1-CG 4.2Å; I142-R146 HydrophobicContact CG2-CB 4.16Å; I142-R146 PolarHBondContact O-N 2.61Å; I142-R146 VanDerWaalsContact O-N 3.1Å; I142-L147 PolarHBondContact O-N 3.36Å; I142-F433 HydrophobicContact CG2-CD2 4.34Å; I142-L580 HydrophobicContact CD1-CD2 4.08Å
143	L	92.3	Very high	91.6	Very high	2 Å²	2	5 Å²	5	1%	0.01	3%	0.027	C	C	.	.	H	α-helix	trans	-56.6	-41.7	176.8	178.3	60.9	0	0	0	111.6	F139 G140 V141 L147 I294 Y472	F139-L143 HydrophobicContact CD1-CD2 4.01Å; F139-L143 HydrophobicContact CE1-CD2 4.36Å; G140-L143 PolarHBondContact O-N 2.95Å; V141-L143 VanDerWaalsContact C-N 3.29Å; V141-L143 PolarHBondContact O-N 3.21Å; L143-L147 HydrophobicContact CD1-CD2 3.64Å; L143-L147 WeakPolarHBondContact O-CB 3.28Å; L143-I294 HydrophobicContact CD2-CD1 4.15Å; L143-I294 HydrophobicContact CD2-CG1 4.05Å; L143-Y472 HydrophobicContact CB-CE1 3.98Å; L143-Y472 HydrophobicContact CD1-CD1 3.82Å; L143-Y472 HydrophobicContact CD1-CE1 3.69Å; L143-Y472 HydrophobicContact CG-CE1 4.28Å
144	F	91.7	Very high	91.9	Very high	2 Å²	2	5 Å²	5	1%	0.009	3%	0.027	C	C	.	.	H	α-helix	trans	-92.2	-39.5	-173.6	-56.4	-63.7	0	0	0	112.8	V141 I142 I297 V502 I513	V141-F144 PolarHBondContact O-N 3.15Å; V141-F144 VanDerWaalsContact O-N 3.13Å; I142-F144 VanDerWaalsContact C-N 3.25Å; I142-F144 PolarHBondContact O-N 3.41Å; F144-I297 HydrophobicContact CD1-CD1 4.18Å; F144-I297 HydrophobicContact CE1-CD1 3.96Å; F144-V502 HydrophobicContact CB-CG1 4.49Å; F144-V502 WeakPolarHBondContact O-CG1 3.44Å; F144-I513 HydrophobicContact CD1-CG2 4Å
145	L	90.7	Very high	92.1	Very high	7 Å²	7	5 Å²	5	4%	0.037	3%	0.028	C	C	.	.	H	α-helix	trans	-96.9	-23.7	-170.4	-88.7	70.5	0	0	0	114.7	V141 E228 I229	V141-L145 HydrophobicContact CG2-CB 4.24Å; V141-L145 HydrophobicContact CG2-CD1 3.82Å; V141-L145 HydrophobicContact CG2-CD2 3.8Å; V141-L145 HydrophobicContact CG2-CG 4.15Å; V141-L145 PolarHBondContact O-N 3.24Å; L145-E228 HydrophobicContact CD2-CB 4.32Å; L145-E228 HydrophobicContact CD2-CG 4.27Å; L145-I229 HydrophobicContact CD1-CD1 3.79Å; L145-I229 HydrophobicContact CD1-CG1 3.81Å; L145-I229 HydrophobicContact CD2-CG1 4.04Å; L145-I229 HydrophobicContact CG-CG1 4.38Å
146	R	93.9	Very high	92.4	Very high	1 Å²	1	4.9 Å²	4.9	0%	0.004	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	-22.3	-168.7	-64.9	-62.9	-176.2	-91.3	-7.5	114.1	I142 T148 W149 I150 E228 L580 D581	I142-R146 HydrophobicContact CD1-CB 4.41Å; I142-R146 HydrophobicContact CD1-CG 4.2Å; I142-R146 HydrophobicContact CG2-CB 4.16Å; I142-R146 PolarHBondContact O-N 2.61Å; I142-R146 VanDerWaalsContact O-N 3.1Å; R146-T148 PolarHBondContact O-N 2.66Å; R146-W149 PolarHBondContact O-N 3.16Å; R146-W149 VanDerWaalsContact O-N 3.13Å; R146-I150 HydrophobicContact CB-CD1 4.39Å; R146-I150 WeakPolarHBondContact O-CG1 3.47Å; R146-I150 PolarHBondContact O-N 3.03Å; R146-E228 IonicContact CZ-OE1 2.98Å; R146-E228 IonicContact CZ-OE2 2.93Å; R146-E228 IonicContact NH1-OE1 3.19Å; R146-E228 PolarHBondContact NH1-OE1 2.84Å; R146-E228 IonicContact NH1-OE2 2.74Å; R146-E228 IonicContact NH2-OE1 3.49Å; R146-E228 PolarHBondContact NH2-OE1 3.43Å; R146-E228 VanDerWaalsContact NH2-OE1 3.17Å; R146-E228 IonicContact NH2-OE2 3.94Å; R146-E228 PolarHBondContact NH2-OE2 3.47Å; R146-L580 HydrophobicContact CG-CD2 4.44Å; R146-D581 IonicContact CZ-OD1 3.5Å; R146-D581 IonicContact NE-OD1 2.75Å; R146-D581 PolarHBondContact NE-OD1 3.23Å; R146-D581 IonicContact NH2-OD1 3.41Å; R146-D581 PolarHBondContact NH2-OD1 3.04Å
147	L	94.2	Very high	92.7	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-61.6	-42.3	-177.2	-172.2	57.9	0	0	0	112.7	I142 L143 W149 I150 V151 F433 Y472 V476 F479	I142-L147 PolarHBondContact O-N 3.36Å; L143-L147 HydrophobicContact CD1-CD2 3.64Å; L143-L147 WeakPolarHBondContact O-CB 3.28Å; L147-W149 VanDerWaalsContact C-N 3.29Å; L147-W149 PolarHBondContact O-N 3.45Å; L147-I150 PolarHBondContact O-N 2.98Å; L147-V151 VanDerWaalsContact O-CG2 3.26Å; L147-V151 WeakPolarHBondContact O-CG2 3.17Å; L147-V151 PolarHBondContact O-N 3.42Å; L147-F433 HydrophobicContact CD1-CD2 4.31Å; L147-F433 HydrophobicContact CD1-CE2 3.96Å; L147-Y472 HydrophobicContact CD2-CD1 4.14Å; L147-V476 HydrophobicContact CD1-CG2 3.95Å; L147-F479 HydrophobicContact CB-CE2 4.18Å; L147-F479 HydrophobicContact CD2-CD2 4.38Å; L147-F479 HydrophobicContact CD2-CE2 3.82Å; L147-F479 HydrophobicContact CG-CD2 4.17Å; L147-F479 HydrophobicContact CG-CE2 3.92Å
148	T	94.6	Very high	93.1	Very high	8 Å²	8	9.8 Å²	9.8	5%	0.049	5%	0.051	C	C	.	.	H	α-helix	trans	-61	-39.9	175.3	50.5	0	0	0	0	112	R146 V151 G152 F479 L488 V501 V502	R146-T148 PolarHBondContact O-N 2.66Å; T148-V151 PolarHBondContact O-N 2.92Å; T148-G152 PolarHBondContact O-N 3.46Å; T148-F479 HydrophobicContact CG2-CD1 4.29Å; T148-F479 HydrophobicContact CG2-CD2 3.66Å; T148-F479 HydrophobicContact CG2-CE1 4.44Å; T148-F479 HydrophobicContact CG2-CE2 3.8Å; T148-F479 HydrophobicContact CG2-CG 3.92Å; T148-F479 HydrophobicContact CG2-CZ 4.21Å; T148-L488 HydrophobicContact CG2-CD2 4.37Å; T148-V501 HydrophobicContact CG2-CG1 4.13Å; T148-V502 HydrophobicContact CG2-CB 3.97Å
149	W	95.1	Very high	93.4	Very high	11 Å²	11	9.7 Å²	9.7	4%	0.042	5%	0.05	C	C	.	.	H	α-helix	trans	-68.5	-42.5	178.4	-179.2	71	0	0	0	112.7	R146 L147 V151 G152 M153 I422 T424 L429 I432 L488 R489 K491	R146-W149 PolarHBondContact O-N 3.16Å; R146-W149 VanDerWaalsContact O-N 3.13Å; L147-W149 VanDerWaalsContact C-N 3.29Å; L147-W149 PolarHBondContact O-N 3.45Å; W149-V151 VanDerWaalsContact C-N 3.3Å; W149-V151 PolarHBondContact O-N 3.4Å; W149-G152 PolarHBondContact O-N 2.82Å; W149-G152 VanDerWaalsContact O-N 3.15Å; W149-M153 HydrophobicContact CD2-CG 4.28Å; W149-M153 HydrophobicContact CZ2-CG 4.07Å; W149-M153 WeakPolarHBondContact O-CG 3.44Å; W149-M153 PolarHBondContact O-N 3.47Å; W149-I422 HydrophobicContact CH2-CD1 3.69Å; W149-I422 HydrophobicContact CH2-CG1 3.93Å; W149-I422 HydrophobicContact CZ2-CD1 4.25Å; W149-I422 HydrophobicContact CZ2-CG1 3.99Å; W149-T424 HydrophobicContact CH2-CG2 3.54Å; W149-T424 HydrophobicContact CZ2-CG2 3.37Å; W149-L429 HydrophobicContact CE3-CD2 4.2Å; W149-L429 HydrophobicContact CH2-CD2 3.82Å; W149-L429 HydrophobicContact CZ3-CD2 3.49Å; W149-L429 VanDerWaalsContact CZ3-CD2 3.49Å; W149-I432 HydrophobicContact CH2-CD1 4.49Å; W149-I432 HydrophobicContact CZ3-CD1 4.03Å; W149-L488 VanDerWaalsContact CA-O 3.3Å; W149-L488 WeakPolarHBondContact CA-O 3.2Å; W149-R489 VanDerWaalsContact CD1-O 3.29Å; W149-R489 PolarHBondContact NE1-O 3.36Å; W149-K491 HydrophobicContact CG-CB 4.3Å
150	I	95.5	Very high	93.6	Very high	2 Å²	2	12 Å²	12	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-58.1	-45.3	173.5	-67.2	161.4	0	0	0	110.1	R146 L147 G152 M153 A154 S159 I162 L429 F433	R146-I150 HydrophobicContact CB-CD1 4.39Å; R146-I150 WeakPolarHBondContact O-CG1 3.47Å; R146-I150 PolarHBondContact O-N 3.03Å; L147-I150 PolarHBondContact O-N 2.98Å; I150-G152 VanDerWaalsContact C-N 3.34Å; I150-G152 PolarHBondContact O-N 3.35Å; I150-M153 PolarHBondContact O-N 2.82Å; I150-A154 WeakPolarHBondContact O-CB 3.27Å; I150-A154 PolarHBondContact O-N 2.89Å; I150-S159 PolarHBondContact O-OG 3.46Å; I150-I162 HydrophobicContact CG2-CD1 4.44Å; I150-L429 HydrophobicContact CG1-CD2 4.24Å; I150-F433 HydrophobicContact CD1-CB 4.03Å; I150-F433 HydrophobicContact CD1-CD2 4.01Å; I150-F433 HydrophobicContact CD1-CG 4.5Å
151	V	96.4	Very high	94.2	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-63	-39.3	176.7	177.8	0	0	0	0	111.9	L147 T148 W149 G155 I156 S159 V476 L488	L147-V151 VanDerWaalsContact O-CG2 3.26Å; L147-V151 WeakPolarHBondContact O-CG2 3.17Å; L147-V151 PolarHBondContact O-N 3.42Å; T148-V151 PolarHBondContact O-N 2.92Å; W149-V151 VanDerWaalsContact C-N 3.3Å; W149-V151 PolarHBondContact O-N 3.4Å; V151-G155 CarbonylContact O-C 3.58Å; V151-G155 WeakPolarHBondContact O-CA 3.31Å; V151-G155 PolarHBondContact O-N 3.14Å; V151-I156 HydrophobicContact CG1-CG1 4.38Å; V151-S159 WeakPolarHBondContact CA-OG 3.29Å; V151-V476 HydrophobicContact CG2-CB 4.15Å; V151-V476 HydrophobicContact CG2-CG1 4Å; V151-V476 HydrophobicContact CG2-CG2 3.92Å; V151-L488 HydrophobicContact CG1-CD1 4.38Å
152	G	93.8	Very high	94.5	Very high	5 Å²	5	16.2 Å²	16.2	5%	0.052	8%	0.084	C	C	.	.	H	α-helix	trans	-65.8	-39.6	177.2	0	0	0	0	0	114.2	T148 W149 I150 R489	T148-G152 PolarHBondContact O-N 3.46Å; W149-G152 PolarHBondContact O-N 2.82Å; W149-G152 VanDerWaalsContact O-N 3.15Å; I150-G152 VanDerWaalsContact C-N 3.34Å; I150-G152 PolarHBondContact O-N 3.35Å; G152-R489 VanDerWaalsContact O-CG 3.26Å; G152-R489 WeakPolarHBondContact O-CG 3.33Å
153	M	94.4	Very high	94.7	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.02	8%	0.084	C	C	.	.	H	α-helix	trans	-84.4	-46.8	-176.5	-62	-55	-67.2	0	0	112.7	W149 I150 S388 N389 L391 T424 L429 R489	W149-M153 HydrophobicContact CD2-CG 4.28Å; W149-M153 HydrophobicContact CZ2-CG 4.07Å; W149-M153 WeakPolarHBondContact O-CG 3.44Å; W149-M153 PolarHBondContact O-N 3.47Å; I150-M153 PolarHBondContact O-N 2.82Å; M153-S388 CarbonylContact O-C 3.59Å; M153-S388 WeakPolarHBondContact O-CA 3.16Å; M153-N389 WeakPolarHBondContact CE-O 3.48Å; M153-N389 CarbonylContact O-C 3.35Å; M153-N389 PolarHBondContact O-N 3.06Å; M153-L391 HydrophobicContact CE-CB 3.9Å; M153-L391 HydrophobicContact CE-CD1 4.18Å; M153-L391 HydrophobicContact CE-CG 4.02Å; M153-T424 HydrophobicContact CE-CG2 3.8Å; M153-T424 WeakPolarHBondContact CE-OG1 3.45Å; M153-T424 HydrophobicContact CG-CG2 4.27Å; M153-L429 HydrophobicContact CB-CD1 4.19Å; M153-R489 HydrophobicContact SD-CB 4Å; M153-R489 HydrophobicContact SD-CG 3.73Å
154	A	94.6	Very high	94.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-84.5	-17.2	-178.4	0	0	0	0	0	113.1	I150 Q158 I162 S388 L429	I150-A154 WeakPolarHBondContact O-CB 3.27Å; I150-A154 PolarHBondContact O-N 2.89Å; A154-Q158 HydrophobicContact CB-CB 4.01Å; A154-Q158 WeakPolarHBondContact O-CB 3.32Å; A154-I162 HydrophobicContact CB-CD1 4.3Å; A154-S388 VanDerWaalsContact O-CA 3.3Å; A154-S388 WeakPolarHBondContact O-CA 3.46Å; A154-S388 VanDerWaalsContact O-CB 3.32Å; A154-S388 WeakPolarHBondContact O-CB 3.49Å; A154-L429 HydrophobicContact CB-CD1 3.76Å
155	G	95.2	Very high	95	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	72.9	172.3	-168.6	0	0	0	0	0	112.1	V151 S159 N385 W387	V151-G155 CarbonylContact O-C 3.58Å; V151-G155 WeakPolarHBondContact O-CA 3.31Å; V151-G155 PolarHBondContact O-N 3.14Å; G155-S159 WeakPolarHBondContact O-CB 3.5Å; G155-S159 PolarHBondContact O-N 3.38Å; G155-S159 PolarHBondContact O-OG 2.71Å; G155-N385 WeakPolarHBondContact CA-O 3.25Å; G155-W387 WeakPolarHBondContact CA-O 3.5Å
156	I	96	Very high	95.2	Very high	7 Å²	7	22.4 Å²	22.4	4%	0.036	12%	0.116	C	C	.	.	H	α-helix	trans	-64.4	-45.5	-173.6	-63.3	166.5	0	0	0	111.8	V151 S159 L160 I382 N385 M386 V476	V151-I156 HydrophobicContact CG1-CG1 4.38Å; I156-S159 PolarHBondContact O-N 2.81Å; I156-L160 HydrophobicContact CG2-CD1 3.94Å; I156-L160 HydrophobicContact CG2-CG 4.34Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 VanDerWaalsContact O-CG 3.32Å; I156-L160 WeakPolarHBondContact O-CG 3.17Å; I156-L160 PolarHBondContact O-N 2.96Å; I156-I382 HydrophobicContact CD1-CD1 4.34Å; I156-I382 HydrophobicContact CD1-CG1 3.52Å; I156-N385 HydrophobicContact CD1-CB 4.21Å; I156-N385 WeakPolarHBondContact CG1-O 3.3Å; I156-N385 PolarHBondContact N-O 2.9Å; I156-M386 HydrophobicContact CB-SD 4.33Å; I156-M386 HydrophobicContact CD1-SD 4.07Å; I156-V476 HydrophobicContact CG2-CG1 4.38Å
157	I	95.6	Very high	95.2	Very high	78 Å²	78	22.8 Å²	22.8	40%	0.4	12%	0.119	S	C	.	.	H	α-helix	trans	-63.3	-52.1	-174.1	-65.1	176.2	0	0	0	111	S159 L160 L161 M386 W387	I157-S159 VanDerWaalsContact C-N 3.34Å; I157-L160 PolarHBondContact O-N 3.33Å; I157-L161 PolarHBondContact O-N 2.67Å; I157-L161 VanDerWaalsContact O-N 3.13Å; I157-M386 HydrophobicContact CD1-CE 3.66Å; I157-M386 HydrophobicContact CG1-CE 3.56Å; I157-W387 HydrophobicContact CD1-CH2 4.49Å; I157-W387 HydrophobicContact CD1-CZ3 4.26Å
158	Q	95.7	Very high	95.3	Very high	60 Å²	60	24.5 Å²	24.5	28%	0.28	13%	0.131	S	C	.	.	H	α-helix	trans	-70.7	-34.6	-177.8	-63	-179.1	8.9	0	0	110.9	A154 L161 I162 S388 Y390 F426	A154-Q158 HydrophobicContact CB-CB 4.01Å; A154-Q158 WeakPolarHBondContact O-CB 3.32Å; Q158-L161 WeakPolarHBondContact O-CB 3.42Å; Q158-L161 PolarHBondContact O-N 3.45Å; Q158-I162 VanDerWaalsContact O-CG1 3.31Å; Q158-I162 WeakPolarHBondContact O-CG1 3.41Å; Q158-I162 PolarHBondContact O-N 3.34Å; Q158-S388 PolarHBondContact NE2-OG 3.41Å; Q158-Y390 PolarHBondContact OE1-OH 3.37Å; Q158-F426 HydrophobicContact CB-CD2 4.42Å; Q158-F426 HydrophobicContact CB-CE2 4.4Å
159	S	96.3	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.7	-43.9	173.6	-62.5	0	0	0	0	112.2	I150 V151 G155 I156 I157 L161 I162 V163	I150-S159 PolarHBondContact O-OG 3.46Å; V151-S159 WeakPolarHBondContact CA-OG 3.29Å; G155-S159 WeakPolarHBondContact O-CB 3.5Å; G155-S159 PolarHBondContact O-N 3.38Å; G155-S159 PolarHBondContact O-OG 2.71Å; I156-S159 PolarHBondContact O-N 2.81Å; I157-S159 VanDerWaalsContact C-N 3.34Å; S159-L161 VanDerWaalsContact C-N 3.26Å; S159-L161 PolarHBondContact O-N 3Å; S159-I162 PolarHBondContact O-N 3.06Å; S159-V163 WeakPolarHBondContact O-CG2 3.36Å; S159-V163 PolarHBondContact O-N 2.98Å
160	L	96.4	Very high	95.3	Very high	54 Å²	54	23.7 Å²	23.7	28%	0.283	13%	0.127	S	C	.	.	H	α-helix	trans	-58.8	-40.3	174	-76.2	173.2	0	0	0	111.6	I156 I157 V163 L164 L473 V476 V477	I156-L160 HydrophobicContact CG2-CD1 3.94Å; I156-L160 HydrophobicContact CG2-CG 4.34Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 VanDerWaalsContact O-CG 3.32Å; I156-L160 WeakPolarHBondContact O-CG 3.17Å; I156-L160 PolarHBondContact O-N 2.96Å; I157-L160 PolarHBondContact O-N 3.33Å; L160-V163 PolarHBondContact O-N 3.22Å; L160-L164 VanDerWaalsContact O-CB 3.23Å; L160-L164 WeakPolarHBondContact O-CB 3.49Å; L160-L164 PolarHBondContact O-N 2.76Å; L160-L473 HydrophobicContact CD2-CB 4.47Å; L160-L473 HydrophobicContact CD2-CD2 3.73Å; L160-V476 HydrophobicContact CD2-CB 4.17Å; L160-V476 HydrophobicContact CD2-CG1 3.87Å; L160-V476 HydrophobicContact CG-CG1 3.83Å; L160-V477 HydrophobicContact CD1-CG2 4.32Å; L160-V477 HydrophobicContact CD2-CG2 4.17Å
161	L	95.5	Very high	95.4	Very high	94 Å²	94	25.9 Å²	25.9	49%	0.492	14%	0.138	S	C	.	.	H	α-helix	trans	-66.2	-41	176.6	-172.7	141.8	0	0	0	112.3	I157 Q158 S159 L164 M165 F426	I157-L161 PolarHBondContact O-N 2.67Å; I157-L161 VanDerWaalsContact O-N 3.13Å; Q158-L161 WeakPolarHBondContact O-CB 3.42Å; Q158-L161 PolarHBondContact O-N 3.45Å; S159-L161 VanDerWaalsContact C-N 3.26Å; S159-L161 PolarHBondContact O-N 3Å; L161-L164 PolarHBondContact O-N 3.46Å; L161-M165 VanDerWaalsContact O-CB 3.25Å; L161-M165 WeakPolarHBondContact O-CB 3.43Å; L161-M165 PolarHBondContact O-N 3.3Å; L161-F426 HydrophobicContact CD2-CE2 3.88Å; L161-F426 HydrophobicContact CD2-CZ 3.45Å; L161-F426 VanDerWaalsContact CD2-CZ 3.45Å
162	I	95.4	Very high	95.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-49.7	174.6	-67.7	168	0	0	0	110.3	I150 A154 Q158 S159 M165 C166 F426 L429 V430 F433	I150-I162 HydrophobicContact CG2-CD1 4.44Å; A154-I162 HydrophobicContact CB-CD1 4.3Å; Q158-I162 VanDerWaalsContact O-CG1 3.31Å; Q158-I162 WeakPolarHBondContact O-CG1 3.41Å; Q158-I162 PolarHBondContact O-N 3.34Å; S159-I162 PolarHBondContact O-N 3.06Å; I162-M165 PolarHBondContact O-N 3.12Å; I162-C166 PolarHBondContact O-N 3.12Å; I162-C166 VanDerWaalsContact O-N 3.1Å; I162-C166 PolarHBondContact O-SG 2.99Å; I162-F426 HydrophobicContact CD1-CD2 4.12Å; I162-F426 HydrophobicContact CD1-CE2 3.94Å; I162-F426 HydrophobicContact CG1-CD2 4.15Å; I162-F426 HydrophobicContact CG1-CE2 3.47Å; I162-F426 VanDerWaalsContact CG1-CE2 3.47Å; I162-F426 HydrophobicContact CG1-CZ 3.89Å; I162-L429 HydrophobicContact CD1-CB 3.94Å; I162-V430 HydrophobicContact CD1-CG2 4.48Å; I162-V430 HydrophobicContact CG1-CG2 3.88Å; I162-V430 HydrophobicContact CG2-CG2 4.15Å; I162-F433 HydrophobicContact CG2-CB 3.81Å; I162-F433 HydrophobicContact CG2-CD1 3.87Å; I162-F433 HydrophobicContact CG2-CG 3.95Å
163	V	95.8	Very high	95.5	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-61.7	-49.5	179.4	178.2	0	0	0	0	110.6	S159 L160 M165 C166 C167 F433 L473 V476	S159-V163 WeakPolarHBondContact O-CG2 3.36Å; S159-V163 PolarHBondContact O-N 2.98Å; L160-V163 PolarHBondContact O-N 3.22Å; V163-M165 VanDerWaalsContact C-N 3.33Å; V163-M165 PolarHBondContact O-N 2.87Å; V163-C166 PolarHBondContact O-N 3.31Å; V163-C167 VanDerWaalsContact O-CB 3.31Å; V163-C167 WeakPolarHBondContact O-CB 3.2Å; V163-C167 PolarHBondContact O-N 2.99Å; V163-C167 PolarHBondContact O-SG 3.43Å; V163-F433 HydrophobicContact CB-CE1 4.13Å; V163-F433 HydrophobicContact CB-CZ 4.12Å; V163-F433 HydrophobicContact CG1-CE1 4.25Å; V163-F433 HydrophobicContact CG1-CZ 4.02Å; V163-F433 HydrophobicContact CG2-CE1 3.89Å; V163-F433 HydrophobicContact CG2-CE2 3.92Å; V163-F433 HydrophobicContact CG2-CZ 3.55Å; V163-L473 HydrophobicContact CB-CD2 3.98Å; V163-L473 HydrophobicContact CG1-CD2 3.69Å; V163-L473 HydrophobicContact CG1-CG 3.94Å; V163-V476 HydrophobicContact CG2-CG2 3.93Å
164	L	95.3	Very high	95.5	Very high	107 Å²	107	26.4 Å²	26.4	56%	0.56	14%	0.139	S	C	*	.	H	α-helix	trans	-60.4	-41.9	-178.7	-174.8	68.9	0	0	0	112.2	L160 L161 S168	L160-L164 VanDerWaalsContact O-CB 3.23Å; L160-L164 WeakPolarHBondContact O-CB 3.49Å; L160-L164 PolarHBondContact O-N 2.76Å; L161-L164 PolarHBondContact O-N 3.46Å; L164-S168 VanDerWaalsContact O-CB 3.25Å; L164-S168 WeakPolarHBondContact O-CB 3.39Å; L164-S168 PolarHBondContact O-N 2.97Å; L164-S168 PolarHBondContact O-OG 2.83Å
165	M	94.5	Very high	95.6	Very high	33 Å²	33	27.6 Å²	27.6	16%	0.163	15%	0.146	C	C	.	.	H	α-helix	trans	-64.4	-44.9	178.3	-174.8	-179.5	55	0	0	111.6	L161 I162 V163 S168 C169 V430 M631 L635	L161-M165 VanDerWaalsContact O-CB 3.25Å; L161-M165 WeakPolarHBondContact O-CB 3.43Å; L161-M165 PolarHBondContact O-N 3.3Å; I162-M165 PolarHBondContact O-N 3.12Å; V163-M165 VanDerWaalsContact C-N 3.33Å; V163-M165 PolarHBondContact O-N 2.87Å; M165-S168 PolarHBondContact O-OG 2.94Å; M165-C169 PolarHBondContact O-N 2.87Å; M165-V430 HydrophobicContact CE-CB 4.26Å; M165-V430 HydrophobicContact CE-CG1 3.63Å; M165-V430 HydrophobicContact CE-CG2 3.5Å; M165-V430 VanDerWaalsContact CE-CG2 3.5Å; M165-M631 HydrophobicContact CG-CE 4.08Å; M165-L635 HydrophobicContact CE-CD2 3.31Å; M165-L635 HydrophobicContact CG-CD2 3.87Å; M165-L635 HydrophobicContact SD-CD2 3.47Å; M165-L635 WeakPolarHBondContact SD-CD2 3.25Å; M165-L635 HydrophobicContact SD-CG 4.49Å
166	C	94.5	Very high	95.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-45.2	178.5	-62.4	0	0	0	0	111.7	I162 V163 S168 C169 T170 F433 F434 A437	I162-C166 PolarHBondContact O-N 3.12Å; I162-C166 VanDerWaalsContact O-N 3.1Å; I162-C166 PolarHBondContact O-SG 2.99Å; V163-C166 PolarHBondContact O-N 3.31Å; C166-S168 PolarHBondContact O-N 3.12Å; C166-C169 WeakPolarHBondContact O-CB 3.49Å; C166-C169 PolarHBondContact O-N 3.18Å; C166-T170 PolarHBondContact O-N 3.45Å; C166-T170 VanDerWaalsContact O-N 3.17Å; C166-T170 PolarHBondContact O-OG1 3.39Å; C166-F433 HydrophobicContact CB-CD1 3.99Å; C166-F433 HydrophobicContact CB-CE1 3.99Å; C166-F434 HydrophobicContact CB-CD2 4.16Å; C166-A437 HydrophobicContact CB-CB 4.28Å
167	C	95	Very high	95.5	Very high	10 Å²	10	27.3 Å²	27.3	7%	0.068	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-37.6	179.8	-71.1	0	0	0	0	112.9	V163 T170 M171 S469	V163-C167 VanDerWaalsContact O-CB 3.31Å; V163-C167 WeakPolarHBondContact O-CB 3.2Å; V163-C167 PolarHBondContact O-N 2.99Å; V163-C167 PolarHBondContact O-SG 3.43Å; C167-T170 WeakPolarHBondContact CA-OG1 3.48Å; C167-T170 PolarHBondContact O-N 3.08Å; C167-T170 PolarHBondContact O-OG1 2.91Å; C167-M171 VanDerWaalsContact O-CB 3.29Å; C167-M171 WeakPolarHBondContact O-CB 3.31Å; C167-M171 PolarHBondContact O-N 3.47Å; C167-S469 WeakPolarHBondContact CB-OG 3.27Å; C167-S469 PolarHBondContact SG-OG 3.36Å
168	S	95.3	Very high	95.4	Very high	37 Å²	37	23.6 Å²	23.6	26%	0.259	12%	0.124	S	C	.	.	H	α-helix	trans	-66.4	-40.1	175.8	58.7	0	0	0	0	111.8	L164 M165 C166 T170 M171 L172 M631	L164-S168 VanDerWaalsContact O-CB 3.25Å; L164-S168 WeakPolarHBondContact O-CB 3.39Å; L164-S168 PolarHBondContact O-N 2.97Å; L164-S168 PolarHBondContact O-OG 2.83Å; M165-S168 PolarHBondContact O-OG 2.94Å; C166-S168 PolarHBondContact O-N 3.12Å; S168-T170 VanDerWaalsContact C-N 3.35Å; S168-T170 PolarHBondContact O-N 3.48Å; S168-M171 PolarHBondContact O-N 3.12Å; S168-L172 WeakPolarHBondContact O-CG 3.15Å; S168-L172 PolarHBondContact O-N 2.79Å; S168-M631 WeakPolarHBondContact OG-CE 3.47Å
169	C	95.6	Very high	95.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.1	-46.7	173.8	-178.1	0	0	0	0	111.9	M165 C166 T173 C632 L635	M165-C169 PolarHBondContact O-N 2.87Å; C166-C169 WeakPolarHBondContact O-CB 3.49Å; C166-C169 PolarHBondContact O-N 3.18Å; C169-T173 PolarHBondContact O-N 3.44Å; C169-T173 VanDerWaalsContact O-N 3.16Å; C169-T173 PolarHBondContact O-OG1 3.07Å; C169-C632 PolarHBondContact SG-SG 2.82Å; C169-L635 HydrophobicContact CB-CD1 3.91Å
170	T	95.2	Very high	95.1	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-72.8	-33.7	179.7	53.2	0	0	0	0	112.4	C166 C167 S168 T173 A174 A437 Y595	C166-T170 PolarHBondContact O-N 3.45Å; C166-T170 VanDerWaalsContact O-N 3.17Å; C166-T170 PolarHBondContact O-OG1 3.39Å; C167-T170 WeakPolarHBondContact CA-OG1 3.48Å; C167-T170 PolarHBondContact O-N 3.08Å; C167-T170 PolarHBondContact O-OG1 2.91Å; S168-T170 VanDerWaalsContact C-N 3.35Å; S168-T170 PolarHBondContact O-N 3.48Å; T170-T173 PolarHBondContact O-N 2.82Å; T170-A174 WeakPolarHBondContact O-CB 3.47Å; T170-A174 PolarHBondContact O-N 3.02Å; T170-A437 HydrophobicContact CG2-CB 3.96Å; T170-A437 WeakPolarHBondContact CG2-O 3.39Å; T170-Y595 HydrophobicContact CG2-CE2 4.12Å
171	M	96	Very high	94.9	Very high	47 Å²	47	18.2 Å²	18.2	23%	0.232	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-46.9	174.8	-175.9	62	77.7	0	0	111.8	C167 S168 T173 A174 I175 I462 I465	C167-M171 VanDerWaalsContact O-CB 3.29Å; C167-M171 WeakPolarHBondContact O-CB 3.31Å; C167-M171 PolarHBondContact O-N 3.47Å; S168-M171 PolarHBondContact O-N 3.12Å; M171-T173 VanDerWaalsContact C-N 3.28Å; M171-T173 PolarHBondContact O-N 2.98Å; M171-A174 WeakPolarHBondContact O-CB 3.46Å; M171-A174 PolarHBondContact O-N 2.77Å; M171-A174 VanDerWaalsContact O-N 3.15Å; M171-I175 WeakPolarHBondContact O-CG1 3.29Å; M171-I175 PolarHBondContact O-N 3.37Å; M171-I175 VanDerWaalsContact O-N 3.07Å; M171-I462 HydrophobicContact SD-CG2 4.1Å; M171-I465 HydrophobicContact CB-CG2 4.44Å; M171-I465 HydrophobicContact CE-CB 4.09Å; M171-I465 HydrophobicContact CE-CG2 3.65Å; M171-I465 HydrophobicContact SD-CG2 4.36Å
172	L	96.5	Very high	94.6	Very high	20 Å²	20	14.4 Å²	14.4	11%	0.105	8%	0.079	C	C	.	.	H	α-helix	trans	-61.3	-39.5	176	-68.9	170.4	0	0	0	111.3	S168 A174 I175 S176 L624 L627	S168-L172 WeakPolarHBondContact O-CG 3.15Å; S168-L172 PolarHBondContact O-N 2.79Å; L172-A174 VanDerWaalsContact C-N 3.35Å; L172-A174 PolarHBondContact O-N 3.4Å; L172-I175 PolarHBondContact O-N 2.9Å; L172-S176 PolarHBondContact O-N 2.93Å; L172-S176 VanDerWaalsContact O-N 3.17Å; L172-S176 PolarHBondContact O-OG 3.49Å; L172-L624 HydrophobicContact CD2-CB 4.36Å; L172-L624 HydrophobicContact CD2-CD2 4.17Å; L172-L627 HydrophobicContact CD1-CB 4.29Å; L172-L627 HydrophobicContact CD1-CD2 3.83Å; L172-L627 HydrophobicContact CD1-CG 3.88Å; L172-L627 HydrophobicContact CD2-CD2 4.32Å
173	T	96.2	Very high	94.3	Very high	1 Å²	1	15 Å²	15	1%	0.006	8%	0.082	C	C	.	.	H	α-helix	trans	-66.2	-36.4	175.6	-51.4	0	0	0	0	112.1	C169 T170 M171 I175 S176 M177 I440 Y595 V598 N599	C169-T173 PolarHBondContact O-N 3.44Å; C169-T173 VanDerWaalsContact O-N 3.16Å; C169-T173 PolarHBondContact O-OG1 3.07Å; T170-T173 PolarHBondContact O-N 2.82Å; M171-T173 VanDerWaalsContact C-N 3.28Å; M171-T173 PolarHBondContact O-N 2.98Å; T173-I175 VanDerWaalsContact C-N 3.33Å; T173-I175 PolarHBondContact O-N 3.28Å; T173-S176 WeakPolarHBondContact O-CB 3.47Å; T173-S176 PolarHBondContact O-N 3.48Å; T173-M177 WeakPolarHBondContact O-CB 3.46Å; T173-M177 PolarHBondContact O-N 3.44Å; T173-I440 HydrophobicContact CG2-CD1 3.91Å; T173-Y595 HydrophobicContact CG2-CD1 3.83Å; T173-Y595 HydrophobicContact CG2-CG 3.85Å; T173-V598 HydrophobicContact CG2-CG1 4.42Å; T173-N599 WeakPolarHBondContact CA-OD1 3.44Å; T173-N599 PolarHBondContact OG1-ND2 3.09Å
174	A	95.6	Very high	93.5	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.2	-32.2	175.5	0	0	0	0	0	112.9	T170 M171 L172 M177 S178 T461 I465	T170-A174 WeakPolarHBondContact O-CB 3.47Å; T170-A174 PolarHBondContact O-N 3.02Å; M171-A174 WeakPolarHBondContact O-CB 3.46Å; M171-A174 PolarHBondContact O-N 2.77Å; M171-A174 VanDerWaalsContact O-N 3.15Å; L172-A174 VanDerWaalsContact C-N 3.35Å; L172-A174 PolarHBondContact O-N 3.4Å; A174-M177 PolarHBondContact O-N 2.9Å; A174-S178 WeakPolarHBondContact O-CB 3.25Å; A174-S178 PolarHBondContact O-N 3.31Å; A174-S178 PolarHBondContact O-OG 2.87Å; A174-T461 HydrophobicContact CB-CG2 4.2Å; A174-I465 HydrophobicContact CB-CD1 3.31Å
175	I	95.8	Very high	92.9	Very high	25 Å²	25	18.2 Å²	18.2	13%	0.128	11%	0.114	C	C	.	.	H	α-helix	trans	-64.9	-45.4	171.1	-65.7	168.2	0	0	0	110.4	M171 L172 T173 S178 A179 F617 Y620 L624	M171-I175 WeakPolarHBondContact O-CG1 3.29Å; M171-I175 PolarHBondContact O-N 3.37Å; M171-I175 VanDerWaalsContact O-N 3.07Å; L172-I175 PolarHBondContact O-N 2.9Å; T173-I175 VanDerWaalsContact C-N 3.33Å; T173-I175 PolarHBondContact O-N 3.28Å; I175-S178 WeakPolarHBondContact O-CB 3.24Å; I175-S178 PolarHBondContact O-N 2.94Å; I175-A179 PolarHBondContact O-N 3.14Å; I175-F617 HydrophobicContact CG2-CE1 4.27Å; I175-Y620 HydrophobicContact CG2-CD2 4.48Å; I175-L624 HydrophobicContact CG2-CD1 4.48Å
176	S	95.6	Very high	92.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-44	174.3	-59.2	0	0	0	0	111.6	L172 T173 S178 A179 I180 N599 S625	L172-S176 PolarHBondContact O-N 2.93Å; L172-S176 VanDerWaalsContact O-N 3.17Å; L172-S176 PolarHBondContact O-OG 3.49Å; T173-S176 WeakPolarHBondContact O-CB 3.47Å; T173-S176 PolarHBondContact O-N 3.48Å; S176-S178 VanDerWaalsContact C-N 3.3Å; S176-S178 PolarHBondContact O-N 3.37Å; S176-A179 WeakPolarHBondContact O-CB 3.4Å; S176-A179 PolarHBondContact O-N 3.43Å; S176-A179 VanDerWaalsContact O-N 3.1Å; S176-I180 WeakPolarHBondContact O-CG1 3.46Å; S176-I180 PolarHBondContact O-N 3.48Å; S176-I180 VanDerWaalsContact O-N 3.09Å; S176-N599 VanDerWaalsContact CB-OD1 3.26Å; S176-N599 WeakPolarHBondContact CB-OD1 3.4Å; S176-N599 PolarHBondContact OG-OD1 3.37Å; S176-S625 WeakPolarHBondContact OG-CB 3.26Å; S176-S625 PolarHBondContact OG-OG 3.43Å
177	M	92.9	Very high	91.3	Very high	3 Å²	3	19 Å²	19	2%	0.015	12%	0.121	C	C	.	.	H	α-helix	trans	-64.7	-34.5	177.2	-167.9	-105.5	-77.4	0	0	112.4	T173 A174 A179 I180 A181 M194 I440 I457 T461	T173-M177 WeakPolarHBondContact O-CB 3.46Å; T173-M177 PolarHBondContact O-N 3.44Å; A174-M177 PolarHBondContact O-N 2.9Å; M177-A179 VanDerWaalsContact C-N 3.33Å; M177-A179 PolarHBondContact O-N 3.3Å; M177-I180 WeakPolarHBondContact O-CB 3.26Å; M177-I180 PolarHBondContact O-N 3.15Å; M177-A181 PolarHBondContact O-N 3.2Å; M177-M194 HydrophobicContact CG-CE 4Å; M177-M194 HydrophobicContact SD-CE 3.99Å; M177-I440 WeakPolarHBondContact CE-O 3.48Å; M177-I457 HydrophobicContact SD-CG2 3.85Å; M177-T461 HydrophobicContact CE-CG2 3.78Å
178	S	93.4	Very high	90.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-34.5	172.6	-60.9	0	0	0	0	112.5	A174 I175 S176 A181 T182 P458	A174-S178 WeakPolarHBondContact O-CB 3.25Å; A174-S178 PolarHBondContact O-N 3.31Å; A174-S178 PolarHBondContact O-OG 2.87Å; I175-S178 WeakPolarHBondContact O-CB 3.24Å; I175-S178 PolarHBondContact O-N 2.94Å; S176-S178 VanDerWaalsContact C-N 3.3Å; S176-S178 PolarHBondContact O-N 3.37Å; S178-A181 PolarHBondContact O-N 3.02Å; S178-T182 WeakPolarHBondContact O-CG2 3.34Å; S178-T182 PolarHBondContact O-N 3.45Å; S178-T182 VanDerWaalsContact O-N 3.14Å; S178-T182 PolarHBondContact O-OG1 2.78Å; S178-P458 WeakPolarHBondContact OG-CA 3.26Å
179	A	93.6	Very high	89.2	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66	-39.6	173.3	0	0	0	0	0	111.5	I175 S176 M177 T182 N183 W613 P615 Y620	I175-A179 PolarHBondContact O-N 3.14Å; S176-A179 WeakPolarHBondContact O-CB 3.4Å; S176-A179 PolarHBondContact O-N 3.43Å; S176-A179 VanDerWaalsContact O-N 3.1Å; M177-A179 VanDerWaalsContact C-N 3.33Å; M177-A179 PolarHBondContact O-N 3.3Å; A179-T182 PolarHBondContact O-N 3.49Å; A179-T182 PolarHBondContact O-OG1 3.43Å; A179-N183 PolarHBondContact O-N 3.01Å; A179-W613 HydrophobicContact CB-CH2 4.45Å; A179-W613 HydrophobicContact CB-CZ2 4.4Å; A179-P615 HydrophobicContact CB-CB 3.95Å; A179-Y620 HydrophobicContact CB-CD1 4.23Å; A179-Y620 HydrophobicContact CB-CD2 3.38Å; A179-Y620 HydrophobicContact CB-CE1 4.43Å; A179-Y620 HydrophobicContact CB-CE2 3.61Å; A179-Y620 HydrophobicContact CB-CG 3.69Å
180	I	93.2	Very high	88.7	Confident	2 Å²	2	17.1 Å²	17.1	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-50.5	173	-63	171.5	0	0	0	110.3	S176 M177 T182 N183 M194 L199 V598 W613	S176-I180 WeakPolarHBondContact O-CG1 3.46Å; S176-I180 PolarHBondContact O-N 3.48Å; S176-I180 VanDerWaalsContact O-N 3.09Å; M177-I180 WeakPolarHBondContact O-CB 3.26Å; M177-I180 PolarHBondContact O-N 3.15Å; I180-T182 PolarHBondContact O-N 3.39Å; I180-T182 VanDerWaalsContact O-N 3.11Å; I180-N183 WeakPolarHBondContact O-CB 3.42Å; I180-N183 PolarHBondContact O-N 2.83Å; I180-M194 HydrophobicContact CG2-CE 4.43Å; I180-M194 HydrophobicContact CG2-CG 4.08Å; I180-L199 HydrophobicContact CD1-CD1 3.95Å; I180-L199 HydrophobicContact CD1-CD2 4.31Å; I180-L199 HydrophobicContact CD1-CG 4.26Å; I180-L199 HydrophobicContact CG1-CD2 4.26Å; I180-V598 HydrophobicContact CD1-CG1 3.91Å; I180-W613 HydrophobicContact CG1-CH2 3.95Å; I180-W613 HydrophobicContact CG1-CZ3 4.25Å
181	A	91.3	Very high	88.2	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-18.7	-178.8	0	0	0	0	0	114	M177 S178 V186 M194 I457	M177-A181 PolarHBondContact O-N 3.2Å; S178-A181 PolarHBondContact O-N 3.02Å; A181-V186 WeakPolarHBondContact O-CG2 3.29Å; A181-M194 HydrophobicContact CB-SD 3.79Å; A181-I457 HydrophobicContact CB-CB 4.17Å; A181-I457 HydrophobicContact CB-CD1 4.32Å; A181-I457 HydrophobicContact CB-CG2 3.91Å
182	T	90.8	Very high	87.9	Confident	13 Å²	13	15.4 Å²	15.4	8%	0.08	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	1.9	176.6	56	0	0	0	0	113.4	S178 A179 I180 P458 F617	S178-T182 WeakPolarHBondContact O-CG2 3.34Å; S178-T182 PolarHBondContact O-N 3.45Å; S178-T182 VanDerWaalsContact O-N 3.14Å; S178-T182 PolarHBondContact O-OG1 2.78Å; A179-T182 PolarHBondContact O-N 3.49Å; A179-T182 PolarHBondContact O-OG1 3.43Å; I180-T182 PolarHBondContact O-N 3.39Å; I180-T182 VanDerWaalsContact O-N 3.11Å; T182-P458 HydrophobicContact CG2-CG 4.13Å; T182-F617 HydrophobicContact CG2-CB 4.27Å; T182-F617 WeakPolarHBondContact OG1-CB 3.36Å; T182-F617 PolarHBondContact OG1-N 3.41Å
183	N	88.5	Confident	87.5	Confident	13 Å²	13	14.7 Å²	14.7	7%	0.07	10%	0.097	C	C	.	.	S	Bend	trans	-92.8	106.3	177.3	-172.1	49	0	0	0	110.7	A179 I180 N612 W613 R614	A179-N183 PolarHBondContact O-N 3.01Å; I180-N183 WeakPolarHBondContact O-CB 3.42Å; I180-N183 PolarHBondContact O-N 2.83Å; N183-N612 PolarHBondContact ND2-O 3.05Å; N183-N612 PolarHBondContact OD1-O 3.39Å; N183-W613 HydrophobicContact CB-CE3 4.31Å; N183-W613 HydrophobicContact CB-CZ3 4.15Å; N183-R614 PolarHBondContact OD1-N 2.8Å
184	G	79.6	Confident	87.1	Confident	44 Å²	44	14.7 Å²	14.7	45%	0.454	10%	0.097	S	C	.	.	S	Bend	trans	72.3	-162.4	-179.5	0	0	0	0	0	113.6	Q454	G184-Q454 PolarHBondContact O-NE2 3.24Å
185	V	81.9	Confident	86.8	Confident	132 Å²	132	15 Å²	15	80%	0.8	10%	0.098	S	C	*	.	P	Polyproline II helix	trans	-80.5	132.3	175.7	-178.7	0	0	0	0	108.4	P187	V185-P187 WeakPolarHBondContact O-CD 3.14Å
186	V	79.4	Confident	86.5	Confident	22 Å²	22	14.1 Å²	14.1	13%	0.133	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-80.1	116.6	179	-176.9	0	0	0	0	108.1	A181 M194 A453 Q454 I457	A181-V186 WeakPolarHBondContact O-CG2 3.29Å; V186-M194 HydrophobicContact CG1-CG 4.39Å; V186-M194 HydrophobicContact CG1-SD 4.46Å; V186-A453 HydrophobicContact CB-CB 4.02Å; V186-A453 HydrophobicContact CG1-CB 4.02Å; V186-A453 HydrophobicContact CG2-CB 4.24Å; V186-Q454 HydrophobicContact CG2-CG 3.73Å; V186-I457 HydrophobicContact CG1-CD1 4.34Å
187	P	77	Confident	86.1	Confident	27 Å²	27	21.3 Å²	21.3	18%	0.175	12%	0.122	C	C	.	.	P	Polyproline II helix	trans	-72.1	147.9	176.8	30.9	-34.5	0	0	0	110.5	V185 F193 R197 S447	V185-P187 WeakPolarHBondContact O-CD 3.14Å; P187-F193 HydrophobicContact CG-CB 4.15Å; P187-R197 HydrophobicContact CG-CB 4.48Å; P187-R197 HydrophobicContact CG-CG 4.3Å; P187-S447 WeakPolarHBondContact O-CB 3.47Å; P187-S447 PolarHBondContact O-OG 3.18Å
188	A	72.7	Confident	85.8	Confident	4 Å²	4	22.2 Å²	22.2	3%	0.033	13%	0.129	C	C	.	.	S	Bend	trans	-75.9	146.3	164.4	0	0	0	0	0	111.6	H105 E108	H105-A188 WeakPolarHBondContact CB-O 3.44Å; H105-A188 PolarHBondContact CD2-O 3.22Å; E108-A188 HydrophobicContact CG-CB 4.04Å; E108-A188 WeakPolarHBondContact OE1-CB 3.28Å; E108-A188 WeakPolarHBondContact OE2-CB 3.46Å
189	G	72.3	Confident	85.3	Confident	4 Å²	4	22.7 Å²	22.7	4%	0.041	13%	0.131	C	C	.	.	S	Bend	trans	129.9	0.5	-175.1	0	0	0	0	0	113.5	F193	G189-F193 WeakPolarHBondContact O-CD2 3.23Å
190	G	84.6	Confident	85	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.01	14%	0.139	C	C	.	.			trans	90.8	-164.5	171.3	0	0	0	0	0	114.8	Y192 M194 S444 S447	G190-Y192 VanDerWaalsContact C-N 3.32Å; G190-Y192 PolarHBondContact O-N 2.88Å; G190-M194 PolarHBondContact O-N 3.45Å; G190-S444 CarbonylContact C-O 3.6Å; G190-S444 VanDerWaalsContact CA-O 3.3Å; G190-S444 WeakPolarHBondContact CA-O 3.39Å; G190-S447 PolarHBondContact N-OG 3.49Å; G190-S447 VanDerWaalsContact N-OG 3.15Å
191	A	85.6	Confident	84.6	Confident	3 Å²	3	26.4 Å²	26.4	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-59.6	-37.7	-171	0	0	0	0	0	113.8	I195 M441 S444 N445	A191-I195 WeakPolarHBondContact O-CB 3.43Å; A191-I195 WeakPolarHBondContact O-CD1 3.3Å; A191-I195 WeakPolarHBondContact O-CG1 3.43Å; A191-I195 PolarHBondContact O-N 2.84Å; A191-M441 HydrophobicContact CB-CB 4.36Å; A191-S444 VanDerWaalsContact CB-OG 3.25Å; A191-S444 WeakPolarHBondContact CB-OG 3.33Å; A191-N445 WeakPolarHBondContact CB-OD1 3.18Å
192	Y	90.3	Very high	84.4	Confident	10 Å²	10	29 Å²	29	4%	0.039	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-52.3	-176.6	168.8	-102.2	0	0	0	112.7	G190 M194 I195 S196 G204 L535 A538 I539 D542	G190-Y192 VanDerWaalsContact C-N 3.32Å; G190-Y192 PolarHBondContact O-N 2.88Å; Y192-M194 VanDerWaalsContact C-N 3.3Å; Y192-M194 PolarHBondContact O-N 3.36Å; Y192-I195 PolarHBondContact O-N 3.28Å; Y192-I195 VanDerWaalsContact O-N 3.14Å; Y192-S196 WeakPolarHBondContact O-CB 3.34Å; Y192-S196 PolarHBondContact O-N 2.98Å; Y192-S196 PolarHBondContact O-OG 3.47Å; Y192-G204 WeakPolarHBondContact CE2-O 3.4Å; Y192-L535 HydrophobicContact CD2-CD1 4.3Å; Y192-L535 HydrophobicContact CG-CD1 4.06Å; Y192-A538 HydrophobicContact CD1-CB 3.75Å; Y192-A538 HydrophobicContact CE1-CB 4.09Å; Y192-I539 HydrophobicContact CD2-CG1 3.93Å; Y192-I539 HydrophobicContact CE1-CG1 4.43Å; Y192-I539 HydrophobicContact CE2-CD1 4.47Å; Y192-I539 HydrophobicContact CE2-CG1 3.53Å; Y192-D542 WeakPolarHBondContact CE1-OD2 3.28Å; Y192-D542 VanDerWaalsContact CZ-OD2 3.24Å; Y192-D542 PolarHBondContact OH-OD2 3.1Å
193	F	88.3	Confident	84.3	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-65.2	-36	179.6	-72.1	-72.9	0	0	0	111.9	A102 H105 P187 G189 I195 S196 R197 A538	A102-F193 HydrophobicContact CB-CE2 4.43Å; A102-F193 HydrophobicContact CB-CZ 4.3Å; H105-F193 HydrophobicContact CB-CD2 4.36Å; H105-F193 HydrophobicContact CB-CE2 4.03Å; H105-F193 HydrophobicContact CB-CZ 4.25Å; H105-F193 AromaticContact CD2-CD1 3.43Å; H105-F193 VanDerWaalsContact CD2-CD1 3.43Å; H105-F193 WeakPolarHBondContact CD2-CD1 3.46Å; H105-F193 AromaticContact CD2-CD2 3.72Å; H105-F193 AromaticContact CD2-CE1 3.76Å; H105-F193 AromaticContact CD2-CG 3.4Å; H105-F193 VanDerWaalsContact CD2-CG 3.4Å; H105-F193 WeakPolarHBondContact CD2-CG 3.45Å; H105-F193 AromaticContact NE2-CD1 3.49Å; H105-F193 WeakPolarHBondContact NE2-CD1 3.39Å; H105-F193 AromaticContact NE2-CE1 3.87Å; H105-F193 AromaticContact NE2-CG 3.88Å; P187-F193 HydrophobicContact CG-CB 4.15Å; G189-F193 WeakPolarHBondContact O-CD2 3.23Å; F193-I195 VanDerWaalsContact C-N 3.33Å; F193-I195 PolarHBondContact O-N 3.45Å; F193-S196 PolarHBondContact O-OG 2.96Å; F193-R197 VanDerWaalsContact O-CB 3.3Å; F193-R197 WeakPolarHBondContact O-CB 3.5Å; F193-R197 WeakPolarHBondContact O-CG 3.14Å; F193-R197 PolarHBondContact O-N 3.46Å; F193-R197 VanDerWaalsContact O-N 3.08Å; F193-A538 HydrophobicContact CE2-CB 3.76Å; F193-A538 HydrophobicContact CZ-CB 3.92Å
194	M	87.7	Confident	84.3	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-44.9	172.6	-174.5	-174.8	69.1	0	0	111.4	M177 I180 A181 V186 G190 Y192 S198 I457	M177-M194 HydrophobicContact CG-CE 4Å; M177-M194 HydrophobicContact SD-CE 3.99Å; I180-M194 HydrophobicContact CG2-CE 4.43Å; I180-M194 HydrophobicContact CG2-CG 4.08Å; A181-M194 HydrophobicContact CB-SD 3.79Å; V186-M194 HydrophobicContact CG1-CG 4.39Å; V186-M194 HydrophobicContact CG1-SD 4.46Å; G190-M194 PolarHBondContact O-N 3.45Å; Y192-M194 VanDerWaalsContact C-N 3.3Å; Y192-M194 PolarHBondContact O-N 3.36Å; M194-S198 WeakPolarHBondContact O-CB 3.36Å; M194-S198 PolarHBondContact O-N 3.07Å; M194-S198 PolarHBondContact O-OG 3.25Å; M194-S198 VanDerWaalsContact O-OG 3.05Å; M194-I457 HydrophobicContact SD-CD1 4.24Å
195	I	89.6	Confident	84.7	Confident	6 Å²	6	27 Å²	27	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-72.3	-47.1	-179.9	-67	169.3	0	0	0	111.3	A191 Y192 F193 R197 S198 L199 V207 M441 V598	A191-I195 WeakPolarHBondContact O-CB 3.43Å; A191-I195 WeakPolarHBondContact O-CD1 3.3Å; A191-I195 WeakPolarHBondContact O-CG1 3.43Å; A191-I195 PolarHBondContact O-N 2.84Å; Y192-I195 PolarHBondContact O-N 3.28Å; Y192-I195 VanDerWaalsContact O-N 3.14Å; F193-I195 VanDerWaalsContact C-N 3.33Å; F193-I195 PolarHBondContact O-N 3.45Å; I195-R197 PolarHBondContact O-N 3.11Å; I195-S198 PolarHBondContact O-N 2.99Å; I195-L199 HydrophobicContact CG2-CD1 3.77Å; I195-L199 HydrophobicContact CG2-CG 4.38Å; I195-L199 VanDerWaalsContact O-CB 3.32Å; I195-L199 WeakPolarHBondContact O-CB 2.92Å; I195-L199 PolarHBondContact O-N 3.44Å; I195-V207 HydrophobicContact CD1-CG1 4.1Å; I195-V207 HydrophobicContact CG2-CB 4.49Å; I195-V207 HydrophobicContact CG2-CG1 4.39Å; I195-M441 HydrophobicContact CD1-CE 4.22Å; I195-V598 HydrophobicContact CD1-CG2 4.5Å
196	S	89	Confident	85.1	Confident	7 Å²	7	20.8 Å²	20.8	5%	0.049	11%	0.11	C	C	.	.	H	α-helix	trans	-66.3	-36.1	-175	69.3	0	0	0	0	112.8	Y192 F193 G200	Y192-S196 WeakPolarHBondContact O-CB 3.34Å; Y192-S196 PolarHBondContact O-N 2.98Å; Y192-S196 PolarHBondContact O-OG 3.47Å; F193-S196 PolarHBondContact O-OG 2.96Å; S196-G200 CarbonylContact O-C 3.46Å; S196-G200 VanDerWaalsContact O-CA 3.24Å; S196-G200 WeakPolarHBondContact O-CA 3.23Å; S196-G200 PolarHBondContact O-N 3.11Å
197	R	86.9	Confident	85.7	Confident	152 Å²	152	19.9 Å²	19.9	57%	0.574	11%	0.105	S	C	*	.	H	α-helix	trans	-77.6	-34.9	178.9	-62.3	-64.5	174.7	-172.5	-4.9	113	P187 F193 I195	P187-R197 HydrophobicContact CG-CB 4.48Å; P187-R197 HydrophobicContact CG-CG 4.3Å; F193-R197 VanDerWaalsContact O-CB 3.3Å; F193-R197 WeakPolarHBondContact O-CB 3.5Å; F193-R197 WeakPolarHBondContact O-CG 3.14Å; F193-R197 PolarHBondContact O-N 3.46Å; F193-R197 VanDerWaalsContact O-N 3.08Å; I195-R197 PolarHBondContact O-N 3.11Å
198	S	85.4	Confident	86.4	Confident	22 Å²	22	18.8 Å²	18.8	15%	0.154	10%	0.098	C	C	.	.	H	α-helix	trans	-81.1	-40.1	178.3	-60.5	0	0	0	0	113.2	M194 I195	M194-S198 WeakPolarHBondContact O-CB 3.36Å; M194-S198 PolarHBondContact O-N 3.07Å; M194-S198 PolarHBondContact O-OG 3.25Å; M194-S198 VanDerWaalsContact O-OG 3.05Å; I195-S198 PolarHBondContact O-N 2.99Å
199	L	84.8	Confident	87.3	Confident	9 Å²	9	19.8 Å²	19.8	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-96.5	-19.5	-174.2	-59.5	-176.8	0	0	0	114.2	I180 I195 F203 A601 Q605 W613	I180-L199 HydrophobicContact CD1-CD1 3.95Å; I180-L199 HydrophobicContact CD1-CD2 4.31Å; I180-L199 HydrophobicContact CD1-CG 4.26Å; I180-L199 HydrophobicContact CG1-CD2 4.26Å; I195-L199 HydrophobicContact CG2-CD1 3.77Å; I195-L199 HydrophobicContact CG2-CG 4.38Å; I195-L199 VanDerWaalsContact O-CB 3.32Å; I195-L199 WeakPolarHBondContact O-CB 2.92Å; I195-L199 PolarHBondContact O-N 3.44Å; L199-F203 HydrophobicContact CB-CB 3.94Å; L199-F203 HydrophobicContact CD1-CB 4.34Å; L199-A601 HydrophobicContact CD1-CB 3.72Å; L199-A601 HydrophobicContact CD2-CB 4.09Å; L199-A601 HydrophobicContact CG-CB 4.43Å; L199-Q605 PolarHBondContact O-NE2 2.99Å; L199-W613 HydrophobicContact CD2-CE3 4.47Å; L199-W613 HydrophobicContact CD2-CH2 4.32Å; L199-W613 HydrophobicContact CD2-CZ3 3.83Å
200	G	86.1	Confident	88.3	Confident	17 Å²	17	20 Å²	20	18%	0.175	10%	0.104	C	C	.	.			trans	105.3	159.7	-171.6	0	0	0	0	0	112.7	S196 E202 G204	S196-G200 CarbonylContact O-C 3.46Å; S196-G200 VanDerWaalsContact O-CA 3.24Å; S196-G200 WeakPolarHBondContact O-CA 3.23Å; S196-G200 PolarHBondContact O-N 3.11Å; G200-E202 VanDerWaalsContact C-N 3.29Å; G200-E202 PolarHBondContact O-N 3.42Å; G200-G204 PolarHBondContact O-N 2.95Å
201	P	85.4	Confident	88.6	Confident	63 Å²	63	21 Å²	21	41%	0.409	11%	0.108	S	C	.	.	H	α-helix	trans	-66.2	-28	-175.6	27.6	-34.5	0	0	0	113.1	G205 I544	P201-G205 PolarHBondContact O-N 3.08Å; P201-I544 HydrophobicContact CB-CG2 4.07Å
202	E	87.6	Confident	89	Confident	55 Å²	55	21.1 Å²	21.1	26%	0.257	11%	0.108	S	C	.	.	H	α-helix	trans	-69	-48.6	-177.5	-43.5	83	-178.8	0	0	110.9	G200 A206 Y655 I658 E659	G200-E202 VanDerWaalsContact C-N 3.29Å; G200-E202 PolarHBondContact O-N 3.42Å; E202-A206 PolarHBondContact O-N 2.96Å; E202-Y655 HydrophobicContact CB-CD2 3.89Å; E202-Y655 HydrophobicContact CB-CE2 3.49Å; E202-Y655 VanDerWaalsContact CB-CE2 3.49Å; E202-I658 HydrophobicContact CB-CG2 4.48Å; E202-E659 HydrophobicContact CG-CB 4.26Å; E202-E659 HydrophobicContact CG-CG 4.41Å
203	F	87.7	Confident	89.2	Confident	28 Å²	28	23.2 Å²	23.2	12%	0.123	12%	0.119	C	C	.	.	H	α-helix	trans	-69.2	-41.3	174.3	-74.5	-71.2	0	0	0	111.5	L199 G205 A206 V207 A601 Y655	L199-F203 HydrophobicContact CB-CB 3.94Å; L199-F203 HydrophobicContact CD1-CB 4.34Å; F203-G205 PolarHBondContact O-N 3.32Å; F203-A206 PolarHBondContact O-N 3.05Å; F203-V207 VanDerWaalsContact O-CB 3.24Å; F203-V207 WeakPolarHBondContact O-CB 3.09Å; F203-V207 WeakPolarHBondContact O-CG2 3.36Å; F203-V207 PolarHBondContact O-N 3.5Å; F203-A601 HydrophobicContact CD1-CB 3.84Å; F203-A601 HydrophobicContact CD2-CB 4.3Å; F203-A601 HydrophobicContact CE1-CB 3.94Å; F203-A601 HydrophobicContact CE2-CB 4.39Å; F203-A601 HydrophobicContact CG-CB 4.03Å; F203-A601 HydrophobicContact CZ-CB 4.22Å; F203-Y655 HydrophobicContact CD1-CE2 4.07Å; F203-Y655 HydrophobicContact CD2-CE2 4.17Å; F203-Y655 AromaticContact CE1-CE2 3.94Å; F203-Y655 HydrophobicContact CE1-CE2 3.94Å; F203-Y655 HydrophobicContact CE2-CE2 4.04Å; F203-Y655 HydrophobicContact CG-CE2 4.19Å; F203-Y655 AromaticContact CZ-CE2 3.92Å; F203-Y655 HydrophobicContact CZ-CE2 3.92Å
204	G	88.3	Confident	89.4	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.3	-46.8	178.1	0	0	0	0	0	113.1	Y192 G200 G208	Y192-G204 WeakPolarHBondContact CE2-O 3.4Å; G200-G204 PolarHBondContact O-N 2.95Å; G204-G208 WeakPolarHBondContact O-CA 3.36Å; G204-G208 PolarHBondContact O-N 2.74Å
205	G	88.8	Confident	89.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.6	-45	179.6	0	0	0	0	0	113.7	P201 F203 G208 L209	P201-G205 PolarHBondContact O-N 3.08Å; F203-G205 PolarHBondContact O-N 3.32Å; G205-G208 PolarHBondContact O-N 3.21Å; G205-L209 WeakPolarHBondContact O-CG 3.3Å; G205-L209 PolarHBondContact O-N 3.34Å
206	A	90	Very high	89.9	Confident	2 Å²	2	23.6 Å²	23.6	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-64.6	-46.9	178.3	0	0	0	0	0	112	E202 F203 L209 C210 I654	E202-A206 PolarHBondContact O-N 2.96Å; F203-A206 PolarHBondContact O-N 3.05Å; A206-L209 PolarHBondContact O-N 3.26Å; A206-C210 PolarHBondContact O-N 3.49Å; A206-C210 PolarHBondContact O-SG 3.23Å; A206-C210 VanDerWaalsContact O-SG 3.34Å; A206-I654 HydrophobicContact CB-CG2 4.45Å
207	V	91.9	Very high	90.2	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-44	176.1	174.2	0	0	0	0	110.6	I195 F203 L209 C210 F211 F597 V598	I195-V207 HydrophobicContact CD1-CG1 4.1Å; I195-V207 HydrophobicContact CG2-CB 4.49Å; I195-V207 HydrophobicContact CG2-CG1 4.39Å; F203-V207 VanDerWaalsContact O-CB 3.24Å; F203-V207 WeakPolarHBondContact O-CB 3.09Å; F203-V207 WeakPolarHBondContact O-CG2 3.36Å; F203-V207 PolarHBondContact O-N 3.5Å; V207-L209 PolarHBondContact O-N 2.93Å; V207-C210 PolarHBondContact O-N 3.24Å; V207-F211 VanDerWaalsContact O-CB 3.28Å; V207-F211 WeakPolarHBondContact O-CB 3.41Å; V207-F211 PolarHBondContact O-N 2.95Å; V207-F597 HydrophobicContact CG2-CB 3.58Å; V207-F597 HydrophobicContact CG2-CG 4.5Å; V207-V598 HydrophobicContact CG1-CG2 3.96Å; V207-V598 HydrophobicContact CG2-CG2 4.32Å
208	G	91.7	Very high	90.5	Very high	4 Å²	4	17.4 Å²	17.4	4%	0.041	10%	0.099	C	C	.	.	H	α-helix	trans	-60.1	-44.2	179.1	0	0	0	0	0	113.2	G204 G205 F211 Y212	G204-G208 WeakPolarHBondContact O-CA 3.36Å; G204-G208 PolarHBondContact O-N 2.74Å; G205-G208 PolarHBondContact O-N 3.21Å; G208-F211 PolarHBondContact O-N 2.98Å; G208-Y212 WeakPolarHBondContact O-CB 3.42Å; G208-Y212 PolarHBondContact O-N 2.97Å
209	L	91.9	Very high	90.9	Very high	25 Å²	25	16.4 Å²	16.4	13%	0.131	9%	0.092	C	C	.	.	H	α-helix	trans	-67.6	-41.6	177.7	-76.3	175.6	0	0	0	112.9	G205 A206 V207 F211 Y212 L213 I539 I545 L548 I654	G205-L209 WeakPolarHBondContact O-CG 3.3Å; G205-L209 PolarHBondContact O-N 3.34Å; A206-L209 PolarHBondContact O-N 3.26Å; V207-L209 PolarHBondContact O-N 2.93Å; L209-F211 VanDerWaalsContact C-N 3.33Å; L209-F211 PolarHBondContact O-N 3.42Å; L209-Y212 WeakPolarHBondContact O-CB 3.46Å; L209-Y212 PolarHBondContact O-N 3.36Å; L209-L213 PolarHBondContact O-N 2.86Å; L209-I539 HydrophobicContact CD2-CD1 4.32Å; L209-I539 HydrophobicContact CG-CD1 4.47Å; L209-I545 HydrophobicContact CD1-CD1 3.52Å; L209-I545 HydrophobicContact CG-CD1 4.46Å; L209-L548 HydrophobicContact CD2-CD1 4.01Å; L209-I654 HydrophobicContact CD1-CD1 4.29Å; L209-I654 HydrophobicContact CD1-CG2 3.85Å
210	C	91.7	Very high	91.4	Very high	8 Å²	8	16 Å²	16	5%	0.054	9%	0.09	C	C	.	.	H	α-helix	trans	-64.1	-40.6	175.2	-67.2	0	0	0	0	111.4	A206 V207 L213 G214 M593 C594	A206-C210 PolarHBondContact O-N 3.49Å; A206-C210 PolarHBondContact O-SG 3.23Å; A206-C210 VanDerWaalsContact O-SG 3.34Å; V207-C210 PolarHBondContact O-N 3.24Å; C210-L213 PolarHBondContact O-N 2.93Å; C210-G214 PolarHBondContact O-N 3.41Å; C210-M593 HydrophobicContact CB-CG 4.38Å; C210-C594 HydrophobicContact CB-CB 4.31Å
211	F	92.4	Very high	91.8	Very high	22 Å²	22	15.2 Å²	15.2	10%	0.096	8%	0.082	C	C	.	.	H	α-helix	trans	-66.1	-36.8	175.5	-174.1	-126.6	0	0	0	112.1	V207 G208 L209 T215 M441 L535 F591	V207-F211 VanDerWaalsContact O-CB 3.28Å; V207-F211 WeakPolarHBondContact O-CB 3.41Å; V207-F211 PolarHBondContact O-N 2.95Å; G208-F211 PolarHBondContact O-N 2.98Å; L209-F211 VanDerWaalsContact C-N 3.33Å; L209-F211 PolarHBondContact O-N 3.42Å; F211-T215 HydrophobicContact CD2-CG2 4.12Å; F211-T215 HydrophobicContact CE1-CG2 4.45Å; F211-T215 HydrophobicContact CE2-CG2 3.79Å; F211-T215 HydrophobicContact CZ-CG2 3.94Å; F211-T215 WeakPolarHBondContact O-CB 3.11Å; F211-T215 WeakPolarHBondContact O-CG2 3.5Å; F211-T215 PolarHBondContact O-N 3.15Å; F211-T215 PolarHBondContact O-OG1 3.37Å; F211-M441 HydrophobicContact CD1-SD 4.33Å; F211-M441 HydrophobicContact CD2-SD 3.8Å; F211-M441 HydrophobicContact CE1-SD 4.37Å; F211-M441 HydrophobicContact CE2-CB 4.08Å; F211-M441 HydrophobicContact CE2-CG 4.4Å; F211-M441 HydrophobicContact CE2-SD 3.79Å; F211-M441 HydrophobicContact CG-SD 4.1Å; F211-M441 HydrophobicContact CZ-CB 3.88Å; F211-M441 HydrophobicContact CZ-SD 4.11Å; F211-L535 HydrophobicContact CB-CD2 4.13Å; F211-L535 HydrophobicContact CD1-CD1 4.25Å; F211-L535 HydrophobicContact CD1-CD2 3.31Å; F211-L535 HydrophobicContact CD1-CG 4.41Å; F211-L535 HydrophobicContact CE1-CD2 4Å; F211-L535 HydrophobicContact CG-CD2 4.04Å; F211-F591 HydrophobicContact CD2-CD1 4.36Å; F211-F591 AromaticContact CD2-CE1 3.72Å; F211-F591 HydrophobicContact CD2-CE1 3.72Å; F211-F591 AromaticContact CE2-CE1 3.76Å; F211-F591 HydrophobicContact CE2-CE1 3.76Å
212	Y	94.1	Very high	92.2	Very high	6 Å²	6	12.9 Å²	12.9	2%	0.024	7%	0.065	C	C	.	.	H	α-helix	trans	-60.9	-50.3	172.7	167.4	-108.6	0	0	0	112.4	G208 L209 T215 T216 A532 L536 T567 I570	G208-Y212 WeakPolarHBondContact O-CB 3.42Å; G208-Y212 PolarHBondContact O-N 2.97Å; L209-Y212 WeakPolarHBondContact O-CB 3.46Å; L209-Y212 PolarHBondContact O-N 3.36Å; Y212-T215 PolarHBondContact O-N 3.17Å; Y212-T215 PolarHBondContact O-OG1 3.22Å; Y212-T216 WeakPolarHBondContact O-CB 3.39Å; Y212-T216 PolarHBondContact O-N 3.49Å; Y212-T216 PolarHBondContact O-OG1 2.99Å; Y212-A532 HydrophobicContact CD2-CB 3.9Å; Y212-A532 VanDerWaalsContact CD2-O 3.29Å; Y212-A532 WeakPolarHBondContact CD2-O 3.45Å; Y212-A532 HydrophobicContact CE2-CB 3.98Å; Y212-L536 HydrophobicContact CD2-CB 3.9Å; Y212-L536 HydrophobicContact CE1-CD2 4.21Å; Y212-L536 HydrophobicContact CE2-CB 3.88Å; Y212-L536 HydrophobicContact CE2-CD2 4.03Å; Y212-L536 HydrophobicContact CE2-CG 4.47Å; Y212-L536 HydrophobicContact CG-CB 4.44Å; Y212-T567 WeakPolarHBondContact CE2-OG1 3.33Å; Y212-T567 PolarHBondContact OH-OG1 3.17Å; Y212-I570 HydrophobicContact CE1-CD1 4.07Å
213	L	93.3	Very high	92.6	Very high	53 Å²	53	10.4 Å²	10.4	28%	0.277	5%	0.053	S	C	.	.	H	α-helix	trans	-63.8	-44.4	178.4	-68.3	174.7	0	0	0	111.2	L209 C210 T215 T216 F217 I570 F590	L209-L213 PolarHBondContact O-N 2.86Å; C210-L213 PolarHBondContact O-N 2.93Å; L213-T215 PolarHBondContact O-N 3.33Å; L213-T216 PolarHBondContact O-N 3.41Å; L213-F217 VanDerWaalsContact O-CD2 3.31Å; L213-F217 WeakPolarHBondContact O-CD2 3.35Å; L213-F217 PolarHBondContact O-N 3.35Å; L213-I570 HydrophobicContact CD2-CD1 4.35Å; L213-F590 HydrophobicContact CB-CD1 3.97Å; L213-F590 HydrophobicContact CB-CD2 4.32Å; L213-F590 HydrophobicContact CB-CE1 4.04Å; L213-F590 HydrophobicContact CB-CE2 4.36Å; L213-F590 HydrophobicContact CB-CG 4.13Å; L213-F590 HydrophobicContact CB-CZ 4.23Å; L213-F590 HydrophobicContact CD1-CD1 4.26Å; L213-F590 HydrophobicContact CD1-CE1 3.72Å; L213-F590 HydrophobicContact CD1-CZ 4.18Å
214	G	92.8	Very high	92.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58.9	-46	177.3	0	0	0	0	0	113.1	C210 T216 A218 F591	C210-G214 PolarHBondContact O-N 3.41Å; G214-T216 VanDerWaalsContact C-N 3.34Å; G214-T216 PolarHBondContact O-N 2.78Å; G214-A218 WeakPolarHBondContact O-CB 3.32Å; G214-A218 PolarHBondContact O-N 2.9Å; G214-F591 WeakPolarHBondContact O-CE2 3.48Å
215	T	93.1	Very high	93.2	Very high	19 Å²	19	9.1 Å²	9.1	12%	0.117	5%	0.048	C	C	.	.	H	α-helix	trans	-68.3	-31.4	177.4	49.3	0	0	0	0	113	F211 Y212 L213 A218 S219 A532 F591	F211-T215 HydrophobicContact CD2-CG2 4.12Å; F211-T215 HydrophobicContact CE1-CG2 4.45Å; F211-T215 HydrophobicContact CE2-CG2 3.79Å; F211-T215 HydrophobicContact CZ-CG2 3.94Å; F211-T215 WeakPolarHBondContact O-CB 3.11Å; F211-T215 WeakPolarHBondContact O-CG2 3.5Å; F211-T215 PolarHBondContact O-N 3.15Å; F211-T215 PolarHBondContact O-OG1 3.37Å; Y212-T215 PolarHBondContact O-N 3.17Å; Y212-T215 PolarHBondContact O-OG1 3.22Å; L213-T215 PolarHBondContact O-N 3.33Å; T215-A218 WeakPolarHBondContact O-CB 3.36Å; T215-A218 PolarHBondContact O-N 2.95Å; T215-S219 PolarHBondContact O-N 2.9Å; T215-A532 WeakPolarHBondContact OG1-CB 3.47Å; T215-F591 HydrophobicContact CG2-CE1 4.47Å; T215-F591 HydrophobicContact CG2-CZ 4.08Å
216	T	95.3	Very high	93.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-68.5	-47.5	176.2	-55.6	0	0	0	0	111.7	Y212 L213 G214 A218 S219 A220 T567 I570 A571	Y212-T216 WeakPolarHBondContact O-CB 3.39Å; Y212-T216 PolarHBondContact O-N 3.49Å; Y212-T216 PolarHBondContact O-OG1 2.99Å; L213-T216 PolarHBondContact O-N 3.41Å; G214-T216 VanDerWaalsContact C-N 3.34Å; G214-T216 PolarHBondContact O-N 2.78Å; T216-A218 PolarHBondContact O-N 3.02Å; T216-S219 WeakPolarHBondContact O-CB 3.42Å; T216-S219 PolarHBondContact O-N 3.48Å; T216-A220 PolarHBondContact O-N 3.1Å; T216-T567 HydrophobicContact CG2-CG2 3.76Å; T216-T567 WeakPolarHBondContact CG2-O 3.42Å; T216-I570 HydrophobicContact CG2-CB 3.71Å; T216-I570 HydrophobicContact CG2-CG2 3.62Å; T216-A571 HydrophobicContact CG2-CB 4.16Å
217	F	94.6	Very high	93.7	Very high	26 Å²	26	9.7 Å²	9.7	11%	0.114	5%	0.051	C	C	.	.	H	α-helix	trans	-65.1	-25.6	172.9	-78.5	-73.5	0	0	0	112.4	L213 S219 A220 M221 I570 I586 L587 F590	L213-F217 VanDerWaalsContact O-CD2 3.31Å; L213-F217 WeakPolarHBondContact O-CD2 3.35Å; L213-F217 PolarHBondContact O-N 3.35Å; F217-S219 VanDerWaalsContact C-N 3.35Å; F217-A220 PolarHBondContact O-N 2.83Å; F217-M221 PolarHBondContact O-N 2.89Å; F217-I570 HydrophobicContact CE2-CG2 4.2Å; F217-I570 HydrophobicContact CZ-CG2 4.27Å; F217-I586 HydrophobicContact CD1-CG2 4.48Å; F217-I586 HydrophobicContact CE1-CG2 4.47Å; F217-I586 HydrophobicContact CZ-CG2 4.5Å; F217-L587 HydrophobicContact CB-CB 4.35Å; F217-F590 AromaticContact CD2-CD2 3.99Å; F217-F590 HydrophobicContact CD2-CD2 3.99Å; F217-F590 AromaticContact CD2-CE2 3.63Å; F217-F590 HydrophobicContact CD2-CE2 3.63Å; F217-F590 HydrophobicContact CE2-CD2 4.41Å; F217-F590 AromaticContact CE2-CE2 3.6Å; F217-F590 HydrophobicContact CE2-CE2 3.6Å; F217-F590 HydrophobicContact CE2-CZ 4.26Å
218	A	93.4	Very high	93.7	Very high	4 Å²	4	10 Å²	10	3%	0.033	5%	0.052	C	C	.	.	H	α-helix	trans	-65.8	-40.8	175.2	0	0	0	0	0	111.1	G214 T215 T216 A220 M221 Y222 L587	G214-A218 WeakPolarHBondContact O-CB 3.32Å; G214-A218 PolarHBondContact O-N 2.9Å; T215-A218 WeakPolarHBondContact O-CB 3.36Å; T215-A218 PolarHBondContact O-N 2.95Å; T216-A218 PolarHBondContact O-N 3.02Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A218-A220 PolarHBondContact O-N 3.47Å; A218-M221 PolarHBondContact O-N 3.27Å; A218-Y222 HydrophobicContact CB-CD2 4.45Å; A218-Y222 HydrophobicContact CB-CE2 4.07Å; A218-Y222 WeakPolarHBondContact O-CD2 3.42Å; A218-Y222 PolarHBondContact O-N 3.35Å; A218-L587 HydrophobicContact CB-CD1 3.41Å; A218-L587 VanDerWaalsContact CB-CD1 3.41Å; A218-L587 VanDerWaalsContact N-CD1 3.34Å
219	S	93.9	Very high	93.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-57.4	-47	174.4	-169.2	0	0	0	0	111.1	T215 T216 F217 M221 Y222 I223 G525	T215-S219 PolarHBondContact O-N 2.9Å; T216-S219 WeakPolarHBondContact O-CB 3.42Å; T216-S219 PolarHBondContact O-N 3.48Å; F217-S219 VanDerWaalsContact C-N 3.35Å; S219-M221 PolarHBondContact O-N 3.21Å; S219-Y222 PolarHBondContact O-N 3.19Å; S219-I223 VanDerWaalsContact O-CG1 3.26Å; S219-I223 WeakPolarHBondContact O-CG1 3.25Å; S219-I223 PolarHBondContact O-N 2.93Å; S219-G525 PolarHBondContact OG-O 3.49Å
220	A	95.1	Very high	93.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61	-44.5	176.1	0	0	0	0	0	112.5	T216 F217 A218 Y222 I223 L224 A571 I575	T216-A220 PolarHBondContact O-N 3.1Å; F217-A220 PolarHBondContact O-N 2.83Å; A218-A220 VanDerWaalsContact C-N 3.33Å; A218-A220 PolarHBondContact O-N 3.47Å; A220-Y222 PolarHBondContact O-N 2.78Å; A220-I223 PolarHBondContact O-N 2.98Å; A220-L224 WeakPolarHBondContact O-CB 3.39Å; A220-L224 WeakPolarHBondContact O-CG 3.3Å; A220-L224 PolarHBondContact O-N 3.28Å; A220-A571 WeakPolarHBondContact CB-O 3.39Å; A220-I575 HydrophobicContact CB-CG1 4.1Å
221	M	94.6	Very high	93.8	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-59.7	-45	177.5	-173	-169.7	76.9	0	0	112.1	V141 F217 A218 S219 G225 P435 L580 V583 A584	V141-M221 HydrophobicContact CG1-CE 4.04Å; F217-M221 PolarHBondContact O-N 2.89Å; A218-M221 PolarHBondContact O-N 3.27Å; S219-M221 PolarHBondContact O-N 3.21Å; M221-G225 PolarHBondContact O-N 3.21Å; M221-P435 HydrophobicContact CE-CB 4.12Å; M221-P435 HydrophobicContact SD-CB 4Å; M221-P435 HydrophobicContact SD-CG 4.29Å; M221-L580 HydrophobicContact CG-CG 4.3Å; M221-V583 HydrophobicContact CB-CG1 4.15Å; M221-A584 HydrophobicContact SD-CB 4.22Å
222	Y	94.7	Very high	93.6	Very high	13 Å²	13	12.3 Å²	12.3	5%	0.051	6%	0.059	C	C	.	.	H	α-helix	trans	-68.5	-36.6	179.4	-66.4	-47.2	0	0	0	112.6	V141 A218 S219 A220 G225 A226 T521 A524	V141-Y222 HydrophobicContact CB-CD1 4.41Å; V141-Y222 HydrophobicContact CG1-CD1 4.24Å; V141-Y222 HydrophobicContact CG1-CE1 4.44Å; A218-Y222 HydrophobicContact CB-CD2 4.45Å; A218-Y222 HydrophobicContact CB-CE2 4.07Å; A218-Y222 WeakPolarHBondContact O-CD2 3.42Å; A218-Y222 PolarHBondContact O-N 3.35Å; S219-Y222 PolarHBondContact O-N 3.19Å; A220-Y222 PolarHBondContact O-N 2.78Å; Y222-G225 PolarHBondContact O-N 2.9Å; Y222-A226 PolarHBondContact O-N 2.93Å; Y222-T521 HydrophobicContact CD1-CG2 4.3Å; Y222-A524 HydrophobicContact CD1-CB 4.09Å; Y222-A524 HydrophobicContact CD2-CB 3.72Å; Y222-A524 HydrophobicContact CE1-CB 4.15Å; Y222-A524 HydrophobicContact CE2-CB 3.78Å; Y222-A524 HydrophobicContact CG-CB 3.89Å
223	I	95.2	Very high	93.4	Very high	3 Å²	3	13 Å²	13	2%	0.015	6%	0.062	C	C	.	.	H	α-helix	trans	-65.6	-48.6	174.9	-68.4	166.7	0	0	0	110.4	S219 A220 G225 A226 I227 C264 L265 M268 I575	S219-I223 VanDerWaalsContact O-CG1 3.26Å; S219-I223 WeakPolarHBondContact O-CG1 3.25Å; S219-I223 PolarHBondContact O-N 2.93Å; A220-I223 PolarHBondContact O-N 2.98Å; I223-G225 PolarHBondContact O-N 2.89Å; I223-A226 WeakPolarHBondContact O-CB 3.03Å; I223-A226 PolarHBondContact O-N 3.49Å; I223-A226 VanDerWaalsContact O-N 3.08Å; I223-I227 HydrophobicContact CG2-CG1 4.48Å; I223-I227 WeakPolarHBondContact O-CG1 3.18Å; I223-I227 PolarHBondContact O-N 2.99Å; I223-C264 HydrophobicContact CG2-CB 4Å; I223-L265 HydrophobicContact CD1-CB 4.06Å; I223-L265 HydrophobicContact CD1-CD1 3.64Å; I223-L265 HydrophobicContact CD1-CG 4.45Å; I223-M268 HydrophobicContact CD1-CE 4.28Å; I223-M268 HydrophobicContact CD1-SD 3.9Å; I223-M268 HydrophobicContact CG1-CE 4.08Å; I223-M268 HydrophobicContact CG1-SD 3.69Å; I223-I575 HydrophobicContact CB-CD1 4.43Å; I223-I575 HydrophobicContact CD1-CD1 4.29Å; I223-I575 HydrophobicContact CG2-CD1 3.96Å
224	L	94.9	Very high	93.3	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-57.5	-40.4	175.5	-72.3	174.9	0	0	0	111.5	A220 I227 E228 M257 I575 V583	A220-L224 WeakPolarHBondContact O-CB 3.39Å; A220-L224 WeakPolarHBondContact O-CG 3.3Å; A220-L224 PolarHBondContact O-N 3.28Å; L224-I227 PolarHBondContact O-N 3.41Å; L224-E228 WeakPolarHBondContact O-CB 3.33Å; L224-E228 PolarHBondContact O-N 3.47Å; L224-M257 HydrophobicContact CD2-CB 4.47Å; L224-I575 HydrophobicContact CD2-CG2 4.34Å; L224-V583 HydrophobicContact CD1-CG2 3.98Å
225	G	93.8	Very high	93.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.7	-44	173.4	0	0	0	0	0	113.7	M221 Y222 I223 E228 I229	M221-G225 PolarHBondContact O-N 3.21Å; Y222-G225 PolarHBondContact O-N 2.9Å; I223-G225 PolarHBondContact O-N 2.89Å; G225-E228 PolarHBondContact O-N 3.06Å; G225-I229 WeakPolarHBondContact O-CG1 3.34Å; G225-I229 PolarHBondContact O-N 3.32Å; G225-I229 VanDerWaalsContact O-N 3.07Å
226	A	94.1	Very high	92.7	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-40.9	177	0	0	0	0	0	112	Y222 I223 I229 F230 F518 V522	Y222-A226 PolarHBondContact O-N 2.93Å; I223-A226 WeakPolarHBondContact O-CB 3.03Å; I223-A226 PolarHBondContact O-N 3.49Å; I223-A226 VanDerWaalsContact O-N 3.08Å; A226-I229 PolarHBondContact O-N 2.97Å; A226-F230 WeakPolarHBondContact O-CB 3.42Å; A226-F230 PolarHBondContact O-N 3.33Å; A226-F518 HydrophobicContact CB-CD2 4.44Å; A226-F518 HydrophobicContact CB-CE2 4.36Å; A226-V522 HydrophobicContact CB-CG2 3.95Å
227	I	94.9	Very high	92.2	Very high	12 Å²	12	27 Å²	27	6%	0.062	14%	0.136	C	C	.	.	H	α-helix	trans	-69.8	-35.9	177.3	-60.3	-49.4	0	0	0	111.5	I223 L224 I229 F230 L231 M257 C264	I223-I227 HydrophobicContact CG2-CG1 4.48Å; I223-I227 WeakPolarHBondContact O-CG1 3.18Å; I223-I227 PolarHBondContact O-N 2.99Å; L224-I227 PolarHBondContact O-N 3.41Å; I227-I229 VanDerWaalsContact C-N 3.34Å; I227-I229 PolarHBondContact O-N 2.58Å; I227-F230 PolarHBondContact O-N 3.4Å; I227-L231 HydrophobicContact CG2-CD1 3.7Å; I227-L231 HydrophobicContact CG2-CG 4.04Å; I227-L231 WeakPolarHBondContact O-CB 3.33Å; I227-L231 PolarHBondContact O-N 3.3Å; I227-M257 HydrophobicContact CB-SD 4.18Å; I227-M257 HydrophobicContact CG2-SD 3.61Å; I227-C264 HydrophobicContact CD1-CB 3.98Å
228	E	92.2	Very high	91.8	Very high	10 Å²	10	27 Å²	27	5%	0.047	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-46.2	172.1	-172.3	176.9	146.3	0	0	111.1	L145 R146 L224 G225 F230 K232 M257	L145-E228 HydrophobicContact CD2-CB 4.32Å; L145-E228 HydrophobicContact CD2-CG 4.27Å; R146-E228 IonicContact CZ-OE1 2.98Å; R146-E228 IonicContact CZ-OE2 2.93Å; R146-E228 IonicContact NH1-OE1 3.19Å; R146-E228 PolarHBondContact NH1-OE1 2.84Å; R146-E228 IonicContact NH1-OE2 2.74Å; R146-E228 IonicContact NH2-OE1 3.49Å; R146-E228 PolarHBondContact NH2-OE1 3.43Å; R146-E228 VanDerWaalsContact NH2-OE1 3.17Å; R146-E228 IonicContact NH2-OE2 3.94Å; R146-E228 PolarHBondContact NH2-OE2 3.47Å; L224-E228 WeakPolarHBondContact O-CB 3.33Å; L224-E228 PolarHBondContact O-N 3.47Å; G225-E228 PolarHBondContact O-N 3.06Å; E228-F230 VanDerWaalsContact C-N 3.34Å; E228-F230 PolarHBondContact O-N 3.48Å; E228-K232 VanDerWaalsContact O-CB 3.31Å; E228-K232 WeakPolarHBondContact O-CB 3.49Å; E228-K232 PolarHBondContact O-N 3.48Å; E228-M257 HydrophobicContact CB-CE 3.83Å; E228-M257 HydrophobicContact CB-SD 4.49Å; E228-M257 HydrophobicContact CG-CE 4Å
229	I	92.9	Very high	91.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-44.1	175.7	-61.6	161.1	0	0	0	111	L145 G225 A226 I227 Y233 L234 V514 F518	L145-I229 HydrophobicContact CD1-CD1 3.79Å; L145-I229 HydrophobicContact CD1-CG1 3.81Å; L145-I229 HydrophobicContact CD2-CG1 4.04Å; L145-I229 HydrophobicContact CG-CG1 4.38Å; G225-I229 WeakPolarHBondContact O-CG1 3.34Å; G225-I229 PolarHBondContact O-N 3.32Å; G225-I229 VanDerWaalsContact O-N 3.07Å; A226-I229 PolarHBondContact O-N 2.97Å; I227-I229 VanDerWaalsContact C-N 3.34Å; I227-I229 PolarHBondContact O-N 2.58Å; I229-Y233 HydrophobicContact CB-CD2 4.48Å; I229-Y233 HydrophobicContact CG2-CD2 4.36Å; I229-Y233 WeakPolarHBondContact O-CB 3.28Å; I229-Y233 PolarHBondContact O-N 3.09Å; I229-L234 PolarHBondContact O-N 3.4Å; I229-V514 HydrophobicContact CG2-CG1 4.15Å; I229-F518 HydrophobicContact CG2-CB 4.11Å; I229-F518 HydrophobicContact CG2-CD2 4.44Å
230	F	93.4	Very high	91.1	Very high	56 Å²	56	32.4 Å²	32.4	25%	0.246	17%	0.171	C	C	.	.	I	π-helix	trans	-62.3	-51.1	-178.1	-178.1	-105.6	0	0	0	112.5	A226 I227 E228 L234 V235 A238 Y260 F518	A226-F230 WeakPolarHBondContact O-CB 3.42Å; A226-F230 PolarHBondContact O-N 3.33Å; I227-F230 PolarHBondContact O-N 3.4Å; E228-F230 VanDerWaalsContact C-N 3.34Å; E228-F230 PolarHBondContact O-N 3.48Å; F230-L234 HydrophobicContact CD2-CB 4.34Å; F230-L234 HydrophobicContact CD2-CD2 3.93Å; F230-L234 HydrophobicContact CE2-CD2 4.3Å; F230-L234 WeakPolarHBondContact O-CB 3.31Å; F230-L234 PolarHBondContact O-N 3.48Å; F230-V235 HydrophobicContact CE2-CG2 4.37Å; F230-V235 PolarHBondContact O-N 3.21Å; F230-A238 HydrophobicContact CE1-CB 4.46Å; F230-Y260 HydrophobicContact CE1-CE1 4.31Å; F230-F518 HydrophobicContact CB-CE2 4.25Å
231	L	91.3	Very high	90.7	Very high	11 Å²	11	37 Å²	37	6%	0.058	19%	0.191	C	C	.	.	I	π-helix	trans	-78.1	-26.8	-175.3	-69.4	178.8	0	0	0	113.7	I227 P236 N256 M257 Y260	I227-L231 HydrophobicContact CG2-CD1 3.7Å; I227-L231 HydrophobicContact CG2-CG 4.04Å; I227-L231 WeakPolarHBondContact O-CB 3.33Å; I227-L231 PolarHBondContact O-N 3.3Å; L231-P236 VanDerWaalsContact O-CA 3.27Å; L231-P236 WeakPolarHBondContact O-CA 3.08Å; L231-N256 HydrophobicContact CD1-CB 3.92Å; L231-M257 HydrophobicContact CD1-SD 4.05Å; L231-Y260 HydrophobicContact CD1-CD2 4.01Å; L231-Y260 HydrophobicContact CD2-CD2 3.88Å; L231-Y260 HydrophobicContact CD2-CE2 3.77Å; L231-Y260 HydrophobicContact CG-CD2 4.4Å
232	K	87.8	Confident	89.9	Confident	41 Å²	41	43.3 Å²	43.3	18%	0.178	22%	0.221	C	C	.	.	I	π-helix	trans	-95	-42.7	-179.7	-69.9	-66.4	-169.3	173.3	0	113.4	E228	E228-K232 VanDerWaalsContact O-CB 3.31Å; E228-K232 WeakPolarHBondContact O-CB 3.49Å; E228-K232 PolarHBondContact O-N 3.48Å
233	Y	90.4	Very high	88.5	Confident	21 Å²	21	44.7 Å²	44.7	8%	0.082	23%	0.232	C	C	.	.	I	π-helix	trans	-109.8	-24.3	-167.4	-55.2	-55.9	0	0	0	113.9	I229 F492 Q498 L500	I229-Y233 HydrophobicContact CB-CD2 4.48Å; I229-Y233 HydrophobicContact CG2-CD2 4.36Å; I229-Y233 WeakPolarHBondContact O-CB 3.28Å; I229-Y233 PolarHBondContact O-N 3.09Å; Y233-F492 PolarHBondContact OH-O 2.86Å; Y233-Q498 WeakPolarHBondContact CD1-O 3.26Å; Y233-Q498 WeakPolarHBondContact CE1-O 3.46Å; Y233-L500 HydrophobicContact CD1-CB 4.19Å; Y233-L500 HydrophobicContact CD2-CB 4.39Å; Y233-L500 HydrophobicContact CD2-CD1 3.76Å; Y233-L500 HydrophobicContact CD2-CG 4.27Å; Y233-L500 HydrophobicContact CE1-CB 4.06Å; Y233-L500 HydrophobicContact CE1-CG 4.49Å; Y233-L500 HydrophobicContact CE2-CB 4.29Å; Y233-L500 HydrophobicContact CE2-CD1 3.74Å; Y233-L500 HydrophobicContact CE2-CG 3.92Å; Y233-L500 HydrophobicContact CG-CB 4.37Å; Y233-L500 HydrophobicContact CG-CD1 4.42Å
234	L	90.2	Very high	86.7	Confident	60 Å²	60	50.9 Å²	50.9	31%	0.314	27%	0.271	S	S	.	.	I	π-helix	trans	-96.2	-59	-176.2	-137.3	79.9	0	0	0	112.1	I229 F230 W511 V514	I229-L234 PolarHBondContact O-N 3.4Å; F230-L234 HydrophobicContact CD2-CB 4.34Å; F230-L234 HydrophobicContact CD2-CD2 3.93Å; F230-L234 HydrophobicContact CE2-CD2 4.3Å; F230-L234 WeakPolarHBondContact O-CB 3.31Å; F230-L234 PolarHBondContact O-N 3.48Å; L234-W511 HydrophobicContact CD1-CZ3 4.47Å; L234-V514 HydrophobicContact CD1-CG1 3.63Å
235	V	90	Very high	84.9	Confident	60 Å²	60	56.6 Å²	56.6	36%	0.364	30%	0.301	S	S	.	.			trans	-141	79.3	-174.9	-167.3	0	0	0	0	110.4	F230 Q237 A238	F230-V235 HydrophobicContact CE2-CG2 4.37Å; F230-V235 PolarHBondContact O-N 3.21Å; V235-Q237 PolarHBondContact O-N 3.35Å; V235-A238 HydrophobicContact CB-CB 4.21Å; V235-A238 HydrophobicContact CG1-CB 3.8Å; V235-A238 WeakPolarHBondContact O-CB 3.28Å; V235-A238 PolarHBondContact O-N 2.98Å; V235-A238 VanDerWaalsContact O-N 3.14Å
236	P	83.6	Confident	82.9	Confident	65 Å²	65	62.5 Å²	62.5	42%	0.422	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-65.9	-20.4	179.7	26.5	-34.4	0	0	0	113.9	L231 A238	L231-P236 VanDerWaalsContact O-CA 3.27Å; L231-P236 WeakPolarHBondContact O-CA 3.08Å; P236-A238 PolarHBondContact O-N 2.93Å
237	Q	84.9	Confident	81.1	Confident	179 Å²	179	71 Å²	71	84%	0.836	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-73.6	-12.7	176.3	-61.6	-178.2	-2.9	0	0	113.4	V235 A239	V235-Q237 PolarHBondContact O-N 3.35Å; Q237-A239 VanDerWaalsContact C-N 3.28Å; Q237-A239 PolarHBondContact O-N 3.44Å
238	A	87.4	Confident	79.5	Confident	27 Å²	27	71.2 Å²	71.2	22%	0.223	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-83.6	2.3	-178.5	0	0	0	0	0	113.7	F230 V235 P236 I240 Y260	F230-A238 HydrophobicContact CE1-CB 4.46Å; V235-A238 HydrophobicContact CB-CB 4.21Å; V235-A238 HydrophobicContact CG1-CB 3.8Å; V235-A238 WeakPolarHBondContact O-CB 3.28Å; V235-A238 PolarHBondContact O-N 2.98Å; V235-A238 VanDerWaalsContact O-N 3.14Å; P236-A238 PolarHBondContact O-N 2.93Å; A238-I240 PolarHBondContact O-N 2.94Å; A238-Y260 WeakPolarHBondContact O-CE2 3.33Å; A238-Y260 PolarHBondContact O-OH 3.02Å
239	A	85.7	Confident	78.5	Confident	23 Å²	23	78.3 Å²	78.3	19%	0.19	40%	0.404	C	S	.	.			trans	-63.3	134	175.9	0	0	0	0	0	110.8	Q237 H242	Q237-A239 VanDerWaalsContact C-N 3.28Å; Q237-A239 PolarHBondContact O-N 3.44Å; A239-H242 PolarHBondContact O-NE2 2.96Å; A239-H242 VanDerWaalsContact O-NE2 3.07Å
240	I	86.1	Confident	77.5	Confident	94 Å²	94	82.2 Å²	82.2	48%	0.482	43%	0.425	S	S	.	.	S	Bend	trans	-87.2	-44.4	-177.1	-61.4	168.4	0	0	0	109.7	A238 N256 V259 Y260	A238-I240 PolarHBondContact O-N 2.94Å; I240-N256 PolarHBondContact N-OD1 2.88Å; I240-V259 HydrophobicContact CD1-CG1 4.07Å; I240-Y260 HydrophobicContact CD1-CE2 3.84Å; I240-Y260 HydrophobicContact CG1-CE2 3.96Å
241	F	86.1	Confident	76.9	Confident	96 Å²	96	82.4 Å²	82.4	42%	0.421	43%	0.433	S	S	.	.			trans	-94.8	109.7	177.9	-56.7	-72.3	0	0	0	110	A252 N255 N256 V259	F241-A252 HydrophobicContact CB-CB 4.31Å; F241-N255 HydrophobicContact CD2-CB 3.82Å; F241-N255 HydrophobicContact CE2-CB 4.09Å; F241-N255 HydrophobicContact CG-CB 4.45Å; F241-N256 WeakPolarHBondContact CD2-OD1 3.21Å; F241-N256 PolarHBondContact N-OD1 2.87Å; F241-N256 PolarHBondContact O-ND2 2.83Å; F241-V259 HydrophobicContact CE2-CG2 4Å
242	H	78.4	Confident	76.6	Confident	136 Å²	136	82.3 Å²	82.3	63%	0.63	43%	0.434	S	S	*	.			trans	-107.8	110.7	167.9	-65.5	-72.8	0	0	0	108.6	A239	A239-H242 PolarHBondContact O-NE2 2.96Å; A239-H242 VanDerWaalsContact O-NE2 3.07Å
243	S	65.1	Low	76.4	Confident	41 Å²	41	82.2 Å²	82.2	29%	0.287	44%	0.435	S	S	.	.			trans	-88.7	134.2	172.5	63.1	0	0	0	0	110.5	G248 R249	S243-G248 VanDerWaalsContact OG-C 3.28Å; S243-G248 PolarHBondContact OG-O 2.82Å; S243-R249 VanDerWaalsContact OG-CA 3.29Å; S243-R249 WeakPolarHBondContact OG-CA 3.36Å; S243-R249 PolarHBondContact OG-N 2.83Å
244	T	58.2	Low	76.3	Confident	134 Å²	134	84 Å²	84	82%	0.822	45%	0.446	S	S	*	.	S	Bend	trans	-79	-26	172.4	47.6	0	0	0	0	112.3
245	D	55.5	Low	76.4	Confident	121 Å²	121	83.9 Å²	83.9	65%	0.647	45%	0.445	S	S	*	.	S	Bend	trans	-91.9	139.4	-179.7	-71.6	-16.3	0	0	0	113.7	G248 R249	D245-G248 PolarHBondContact O-N 2.68Å; D245-G248 VanDerWaalsContact O-N 3.09Å; D245-R249 PolarHBondContact O-N 2.99Å
246	H	52.6	Low	76.5	Confident	125 Å²	125	81.2 Å²	81.2	58%	0.579	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-67.2	-38.9	-172.2	-63.5	-65.3	0	0	0	114.6	G248 R249 V415	H246-G248 PolarHBondContact O-N 3.01Å; H246-R249 PolarHBondContact O-N 2.89Å; H246-V415 WeakPolarHBondContact ND1-CG2 3.5Å
247	L	55.8	Low	76.8	Confident	180 Å²	180	78.5 Å²	78.5	94%	0.942	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-65.4	-19.8	173.4	-90.3	132.6	0	0	0	112.5
248	G	62.6	Low	77.3	Confident	16 Å²	16	74.3 Å²	74.3	17%	0.165	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-91	-12.8	-179.4	0	0	0	0	0	115	S243 D245 H246 D250 S251 A252	S243-G248 VanDerWaalsContact OG-C 3.28Å; S243-G248 PolarHBondContact OG-O 2.82Å; D245-G248 PolarHBondContact O-N 2.68Å; D245-G248 VanDerWaalsContact O-N 3.09Å; H246-G248 PolarHBondContact O-N 3.01Å; G248-D250 PolarHBondContact O-N 2.81Å; G248-S251 WeakPolarHBondContact CA-OG 3.35Å; G248-S251 PolarHBondContact O-N 2.85Å; G248-S251 VanDerWaalsContact O-N 3.15Å; G248-S251 PolarHBondContact O-OG 2.98Å; G248-A252 WeakPolarHBondContact O-CB 3.44Å; G248-A252 PolarHBondContact O-N 3.16Å
249	R	69.7	Low	77.7	Confident	159 Å²	159	76.2 Å²	76.2	60%	0.6	40%	0.396	S	S	*	.	H	α-helix	trans	-66.5	-41.2	-169.4	-167.5	166.5	174.8	98.7	-5.2	113.6	S243 D245 H246 S251 A252 L253	S243-R249 VanDerWaalsContact OG-CA 3.29Å; S243-R249 WeakPolarHBondContact OG-CA 3.36Å; S243-R249 PolarHBondContact OG-N 2.83Å; D245-R249 PolarHBondContact O-N 2.99Å; H246-R249 PolarHBondContact O-N 2.89Å; R249-S251 VanDerWaalsContact C-N 3.34Å; R249-A252 PolarHBondContact O-N 3.43Å; R249-L253 PolarHBondContact O-N 2.99Å; R249-L253 VanDerWaalsContact O-N 3.08Å
250	D	72.4	Confident	78.2	Confident	82 Å²	82	77.2 Å²	77.2	44%	0.439	40%	0.396	S	S	.	.	H	α-helix	trans	-64.4	-42.2	173.3	-68.9	-4.1	0	0	0	110.8	G248 A252 L253 L254 K393	G248-D250 PolarHBondContact O-N 2.81Å; D250-A252 VanDerWaalsContact C-N 3.33Å; D250-A252 PolarHBondContact O-N 2.94Å; D250-L253 PolarHBondContact O-N 3.15Å; D250-L254 WeakPolarHBondContact O-CG 3.48Å; D250-L254 PolarHBondContact O-N 3Å; D250-K393 IonicContact OD2-NZ 3.21Å
251	S	81.3	Confident	78.6	Confident	59 Å²	59	72.8 Å²	72.8	41%	0.413	37%	0.373	S	S	.	.	H	α-helix	trans	-65.5	-36.9	179.3	78.8	0	0	0	0	112.3	G248 R249 L254 N255	G248-S251 WeakPolarHBondContact CA-OG 3.35Å; G248-S251 PolarHBondContact O-N 2.85Å; G248-S251 VanDerWaalsContact O-N 3.15Å; G248-S251 PolarHBondContact O-OG 2.98Å; R249-S251 VanDerWaalsContact C-N 3.34Å; S251-L254 PolarHBondContact O-N 3.06Å; S251-N255 VanDerWaalsContact O-CG 3.28Å; S251-N255 PolarHBondContact O-N 2.69Å; S251-N255 PolarHBondContact O-ND2 3.38Å
252	A	84.7	Confident	79.1	Confident	9 Å²	9	70.6 Å²	70.6	7%	0.074	37%	0.368	C	S	.	.	H	α-helix	trans	-66.8	-42.4	175.6	0	0	0	0	0	111.2	F241 G248 R249 D250 N255 N256	F241-A252 HydrophobicContact CB-CB 4.31Å; G248-A252 WeakPolarHBondContact O-CB 3.44Å; G248-A252 PolarHBondContact O-N 3.16Å; R249-A252 PolarHBondContact O-N 3.43Å; D250-A252 VanDerWaalsContact C-N 3.33Å; D250-A252 PolarHBondContact O-N 2.94Å; A252-N255 PolarHBondContact O-N 3.48Å; A252-N256 PolarHBondContact O-N 3.19Å; A252-N256 PolarHBondContact O-ND2 3.21Å
253	L	84.2	Confident	79.9	Confident	40 Å²	40	69.3 Å²	69.3	21%	0.209	36%	0.364	C	S	.	.	H	α-helix	trans	-60.9	-46.7	174.9	-177.3	65.1	0	0	0	111.4	R249 D250 N255 N256 M257	R249-L253 PolarHBondContact O-N 2.99Å; R249-L253 VanDerWaalsContact O-N 3.08Å; D250-L253 PolarHBondContact O-N 3.15Å; L253-N255 VanDerWaalsContact C-N 3.34Å; L253-N255 PolarHBondContact O-N 3.4Å; L253-N256 WeakPolarHBondContact O-CB 3.34Å; L253-N256 PolarHBondContact O-N 2.93Å; L253-M257 HydrophobicContact CD1-CE 3.98Å; L253-M257 HydrophobicContact CG-CE 4.3Å; L253-M257 WeakPolarHBondContact O-CG 3.49Å; L253-M257 PolarHBondContact O-N 2.8Å
254	L	88.3	Confident	81.3	Confident	59 Å²	59	68.5 Å²	68.5	31%	0.309	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-40.8	178.4	-67.6	170.8	0	0	0	112	D250 S251 N256 M257 R258 A578	D250-L254 WeakPolarHBondContact O-CG 3.48Å; D250-L254 PolarHBondContact O-N 3Å; S251-L254 PolarHBondContact O-N 3.06Å; L254-N256 PolarHBondContact O-N 3.06Å; L254-M257 WeakPolarHBondContact O-CB 3.48Å; L254-M257 PolarHBondContact O-N 3.4Å; L254-R258 WeakPolarHBondContact O-CG 3.27Å; L254-R258 PolarHBondContact O-N 2.92Å; L254-A578 HydrophobicContact CB-CB 4.15Å; L254-A578 HydrophobicContact CD2-CB 3.92Å
255	N	91.4	Very high	83.1	Confident	56 Å²	56	62.5 Å²	62.5	30%	0.299	32%	0.322	S	S	.	.	H	α-helix	trans	-65.8	-37	176.6	-71.3	-25.4	0	0	0	112.5	F241 S251 A252 L253 R258 V259	F241-N255 HydrophobicContact CD2-CB 3.82Å; F241-N255 HydrophobicContact CE2-CB 4.09Å; F241-N255 HydrophobicContact CG-CB 4.45Å; S251-N255 VanDerWaalsContact O-CG 3.28Å; S251-N255 PolarHBondContact O-N 2.69Å; S251-N255 PolarHBondContact O-ND2 3.38Å; A252-N255 PolarHBondContact O-N 3.48Å; L253-N255 VanDerWaalsContact C-N 3.34Å; L253-N255 PolarHBondContact O-N 3.4Å; N255-R258 PolarHBondContact O-N 2.67Å; N255-R258 PolarHBondContact OD1-NH1 3.21Å; N255-V259 PolarHBondContact O-N 2.8Å
256	N	91.9	Very high	85	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-62.8	-43.5	172.1	-72.7	-51.9	0	0	0	111.4	L231 I240 F241 A252 L253 L254 R258 V259 Y260	L231-N256 HydrophobicContact CD1-CB 3.92Å; I240-N256 PolarHBondContact N-OD1 2.88Å; F241-N256 WeakPolarHBondContact CD2-OD1 3.21Å; F241-N256 PolarHBondContact N-OD1 2.87Å; F241-N256 PolarHBondContact O-ND2 2.83Å; A252-N256 PolarHBondContact O-N 3.19Å; A252-N256 PolarHBondContact O-ND2 3.21Å; L253-N256 WeakPolarHBondContact O-CB 3.34Å; L253-N256 PolarHBondContact O-N 2.93Å; L254-N256 PolarHBondContact O-N 3.06Å; N256-R258 VanDerWaalsContact C-N 3.3Å; N256-R258 PolarHBondContact O-N 3.08Å; N256-V259 PolarHBondContact O-N 2.87Å; N256-Y260 WeakPolarHBondContact O-CD2 3.16Å; N256-Y260 PolarHBondContact O-N 2.81Å; N256-Y260 VanDerWaalsContact O-N 3.08Å
257	M	91.6	Very high	86.9	Confident	9 Å²	9	59 Å²	59	4%	0.044	31%	0.312	C	S	.	.	H	α-helix	trans	-59.8	-39	176.4	-65.9	-63.1	-177.4	0	0	112.2	L224 I227 E228 L231 L253 L254 G261 A578	L224-M257 HydrophobicContact CD2-CB 4.47Å; I227-M257 HydrophobicContact CB-SD 4.18Å; I227-M257 HydrophobicContact CG2-SD 3.61Å; E228-M257 HydrophobicContact CB-CE 3.83Å; E228-M257 HydrophobicContact CB-SD 4.49Å; E228-M257 HydrophobicContact CG-CE 4Å; L231-M257 HydrophobicContact CD1-SD 4.05Å; L253-M257 HydrophobicContact CD1-CE 3.98Å; L253-M257 HydrophobicContact CG-CE 4.3Å; L253-M257 WeakPolarHBondContact O-CG 3.49Å; L253-M257 PolarHBondContact O-N 2.8Å; L254-M257 WeakPolarHBondContact O-CB 3.48Å; L254-M257 PolarHBondContact O-N 3.4Å; M257-G261 WeakPolarHBondContact O-CA 3.4Å; M257-G261 PolarHBondContact O-N 3.06Å; M257-A578 HydrophobicContact CB-CB 4.27Å
258	R	95.1	Very high	88.7	Confident	90 Å²	90	50.7 Å²	50.7	34%	0.34	27%	0.268	S	S	.	.	H	α-helix	trans	-61.1	-56.7	176.9	-68.8	170.9	177.1	156.2	-3.8	111.3	L254 N255 N256 Y260 G261 T262 L576 A578	L254-R258 WeakPolarHBondContact O-CG 3.27Å; L254-R258 PolarHBondContact O-N 2.92Å; N255-R258 PolarHBondContact O-N 2.67Å; N255-R258 PolarHBondContact OD1-NH1 3.21Å; N256-R258 VanDerWaalsContact C-N 3.3Å; N256-R258 PolarHBondContact O-N 3.08Å; R258-Y260 PolarHBondContact O-N 3.36Å; R258-G261 PolarHBondContact O-N 3.22Å; R258-T262 PolarHBondContact O-N 2.97Å; R258-T262 PolarHBondContact O-OG1 3.07Å; R258-L576 PolarHBondContact NE-O 2.82Å; R258-L576 PolarHBondContact NH2-O 3.37Å; R258-A578 HydrophobicContact CG-CB 3.66Å
259	V	95.1	Very high	90.1	Very high	68 Å²	68	51.2 Å²	51.2	41%	0.412	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-49	-175.1	175.6	0	0	0	0	111.6	I240 F241 N255 N256 G261 L263	I240-V259 HydrophobicContact CD1-CG1 4.07Å; F241-V259 HydrophobicContact CE2-CG2 4Å; N255-V259 PolarHBondContact O-N 2.8Å; N256-V259 PolarHBondContact O-N 2.87Å; V259-G261 VanDerWaalsContact C-N 3.34Å; V259-L263 WeakPolarHBondContact O-CB 3.47Å; V259-L263 PolarHBondContact O-N 3.14Å
260	Y	95.2	Very high	91.1	Very high	44 Å²	44	48 Å²	48	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-68.6	-33.9	178.5	-81.2	-71.5	0	0	0	112.5	F230 L231 A238 I240 N256 R258 C264	F230-Y260 HydrophobicContact CE1-CE1 4.31Å; L231-Y260 HydrophobicContact CD1-CD2 4.01Å; L231-Y260 HydrophobicContact CD2-CD2 3.88Å; L231-Y260 HydrophobicContact CD2-CE2 3.77Å; L231-Y260 HydrophobicContact CG-CD2 4.4Å; A238-Y260 WeakPolarHBondContact O-CE2 3.33Å; A238-Y260 PolarHBondContact O-OH 3.02Å; I240-Y260 HydrophobicContact CD1-CE2 3.84Å; I240-Y260 HydrophobicContact CG1-CE2 3.96Å; N256-Y260 WeakPolarHBondContact O-CD2 3.16Å; N256-Y260 PolarHBondContact O-N 2.81Å; N256-Y260 VanDerWaalsContact O-N 3.08Å; R258-Y260 PolarHBondContact O-N 3.36Å; Y260-C264 VanDerWaalsContact O-CB 3.27Å; Y260-C264 WeakPolarHBondContact O-CB 2.87Å; Y260-C264 PolarHBondContact O-N 3.24Å
261	G	95.1	Very high	91.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-50.9	174.6	0	0	0	0	0	112.3	M257 R258 V259 L263 C264 L265	M257-G261 WeakPolarHBondContact O-CA 3.4Å; M257-G261 PolarHBondContact O-N 3.06Å; R258-G261 PolarHBondContact O-N 3.22Å; V259-G261 VanDerWaalsContact C-N 3.34Å; G261-L263 VanDerWaalsContact C-N 3.32Å; G261-L263 PolarHBondContact O-N 3.44Å; G261-C264 PolarHBondContact O-N 3.12Å; G261-L265 WeakPolarHBondContact O-CB 3.41Å; G261-L265 PolarHBondContact O-N 3.44Å
262	T	96	Very high	92.3	Very high	51 Å²	51	44.5 Å²	44.5	31%	0.313	25%	0.247	S	C	.	.	H	α-helix	trans	-60.7	-41.8	177.4	-52.5	0	0	0	0	111	R258 L265 S266 E572	R258-T262 PolarHBondContact O-N 2.97Å; R258-T262 PolarHBondContact O-OG1 3.07Å; T262-L265 PolarHBondContact O-N 3.16Å; T262-S266 WeakPolarHBondContact O-CB 3.19Å; T262-S266 PolarHBondContact O-N 3.39Å; T262-S266 PolarHBondContact O-OG 3.24Å; T262-E572 WeakPolarHBondContact CB-OE1 3.42Å; T262-E572 VanDerWaalsContact CG2-OE1 3.29Å; T262-E572 WeakPolarHBondContact CG2-OE1 3.48Å; T262-E572 PolarHBondContact OG1-OE1 3.3Å
263	L	95.7	Very high	92.5	Very high	108 Å²	108	49 Å²	49	57%	0.565	27%	0.265	S	S	*	.	H	α-helix	trans	-61	-47.5	175.2	-176.1	68.1	0	0	0	111.3	V259 G261 S266 L267	V259-L263 WeakPolarHBondContact O-CB 3.47Å; V259-L263 PolarHBondContact O-N 3.14Å; G261-L263 VanDerWaalsContact C-N 3.32Å; G261-L263 PolarHBondContact O-N 3.44Å; L263-S266 PolarHBondContact O-N 3.08Å; L263-S266 PolarHBondContact O-OG 2.73Å; L263-L267 PolarHBondContact O-N 3.2Å
264	C	94.9	Very high	92.6	Very high	25 Å²	25	52.1 Å²	52.1	17%	0.169	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-43.6	179.2	-170.4	0	0	0	0	112.2	I223 I227 Y260 G261 S266 L267 M268	I223-C264 HydrophobicContact CG2-CB 4Å; I227-C264 HydrophobicContact CD1-CB 3.98Å; Y260-C264 VanDerWaalsContact O-CB 3.27Å; Y260-C264 WeakPolarHBondContact O-CB 2.87Å; Y260-C264 PolarHBondContact O-N 3.24Å; G261-C264 PolarHBondContact O-N 3.12Å; C264-S266 PolarHBondContact O-N 3.2Å; C264-L267 PolarHBondContact O-N 3.48Å; C264-M268 WeakPolarHBondContact O-CB 3.1Å; C264-M268 WeakPolarHBondContact O-CG 3.19Å; C264-M268 PolarHBondContact O-N 3.15Å
265	L	95.9	Very high	91.8	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-45.8	175.1	178.5	64.9	0	0	0	111.4	I223 G261 T262 L267 M268 A269 L529 A571 E572 I575	I223-L265 HydrophobicContact CD1-CB 4.06Å; I223-L265 HydrophobicContact CD1-CD1 3.64Å; I223-L265 HydrophobicContact CD1-CG 4.45Å; G261-L265 WeakPolarHBondContact O-CB 3.41Å; G261-L265 PolarHBondContact O-N 3.44Å; T262-L265 PolarHBondContact O-N 3.16Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 2.71Å; L265-M268 PolarHBondContact O-N 2.8Å; L265-A269 VanDerWaalsContact O-CB 3.29Å; L265-A269 WeakPolarHBondContact O-CB 3.38Å; L265-A269 PolarHBondContact O-N 2.91Å; L265-L529 HydrophobicContact CD1-CD1 4.24Å; L265-L529 HydrophobicContact CD1-CD2 4.27Å; L265-A571 HydrophobicContact CD1-CB 4.11Å; L265-A571 HydrophobicContact CD2-CB 4.12Å; L265-E572 HydrophobicContact CD2-CB 4.04Å; L265-E572 WeakPolarHBondContact CD2-OE2 3.45Å; L265-I575 HydrophobicContact CB-CD1 3.62Å; L265-I575 HydrophobicContact CD2-CD1 3.78Å; L265-I575 HydrophobicContact CG-CD1 4.17Å
266	S	94.5	Very high	91	Very high	61 Å²	61	47.3 Å²	47.3	43%	0.427	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-43.3	178.6	75.7	0	0	0	0	111.7	T262 L263 C264 A269 V270	T262-S266 WeakPolarHBondContact O-CB 3.19Å; T262-S266 PolarHBondContact O-N 3.39Å; T262-S266 PolarHBondContact O-OG 3.24Å; L263-S266 PolarHBondContact O-N 3.08Å; L263-S266 PolarHBondContact O-OG 2.73Å; C264-S266 PolarHBondContact O-N 3.2Å; S266-A269 PolarHBondContact O-N 3.25Å; S266-V270 WeakPolarHBondContact O-CG2 3.48Å; S266-V270 PolarHBondContact O-N 3.43Å
267	L	93.6	Very high	90.3	Very high	112 Å²	112	54.6 Å²	54.6	59%	0.586	29%	0.294	S	S	*	.	H	α-helix	trans	-65.4	-44.9	177.5	-177.5	135.8	0	0	0	111.6	L263 C264 L265 V270 V271	L263-L267 PolarHBondContact O-N 3.2Å; C264-L267 PolarHBondContact O-N 3.48Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 2.71Å; L267-V270 PolarHBondContact O-N 2.97Å; L267-V271 WeakPolarHBondContact O-CG2 3.33Å; L267-V271 PolarHBondContact O-N 3.27Å
268	M	92.5	Very high	89.5	Confident	5 Å²	5	61.8 Å²	61.8	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-64.1	-40.3	176.5	-72.2	171.8	71.4	0	0	111.9	I223 C264 L265 V270 V271 V272 L526 L529	I223-M268 HydrophobicContact CD1-CE 4.28Å; I223-M268 HydrophobicContact CD1-SD 3.9Å; I223-M268 HydrophobicContact CG1-CE 4.08Å; I223-M268 HydrophobicContact CG1-SD 3.69Å; C264-M268 WeakPolarHBondContact O-CB 3.1Å; C264-M268 WeakPolarHBondContact O-CG 3.19Å; C264-M268 PolarHBondContact O-N 3.15Å; L265-M268 PolarHBondContact O-N 2.8Å; M268-V270 VanDerWaalsContact C-N 3.34Å; M268-V270 PolarHBondContact O-N 3.06Å; M268-V271 PolarHBondContact O-N 2.66Å; M268-V272 WeakPolarHBondContact O-CG2 3.32Å; M268-V272 PolarHBondContact O-N 3.32Å; M268-L526 HydrophobicContact CB-CD2 3.88Å; M268-L526 HydrophobicContact CE-CB 4.21Å; M268-L526 HydrophobicContact CE-CD2 3.92Å; M268-L526 HydrophobicContact CE-CG 3.65Å; M268-L526 HydrophobicContact CG-CD2 3.92Å; M268-L526 HydrophobicContact CG-CG 4.4Å; M268-L529 HydrophobicContact CB-CD2 3.87Å
269	A	92.1	Very high	88.8	Confident	26 Å²	26	57.8 Å²	57.8	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-39.6	176.2	0	0	0	0	0	111.9	L265 S266 V272 F273 L529	L265-A269 VanDerWaalsContact O-CB 3.29Å; L265-A269 WeakPolarHBondContact O-CB 3.38Å; L265-A269 PolarHBondContact O-N 2.91Å; S266-A269 PolarHBondContact O-N 3.25Å; A269-V272 PolarHBondContact O-N 3.35Å; A269-F273 WeakPolarHBondContact O-CB 3.16Å; A269-F273 PolarHBondContact O-N 3.01Å; A269-L529 HydrophobicContact CB-CD2 4.34Å
270	V	91.7	Very high	87.8	Confident	91 Å²	91	56.1 Å²	56.1	55%	0.552	30%	0.296	S	S	*	.	H	α-helix	trans	-63.4	-44.5	173.4	171.2	0	0	0	0	111	S266 L267 M268 V272 F273 V274	S266-V270 WeakPolarHBondContact O-CG2 3.48Å; S266-V270 PolarHBondContact O-N 3.43Å; L267-V270 PolarHBondContact O-N 2.97Å; M268-V270 VanDerWaalsContact C-N 3.34Å; M268-V270 PolarHBondContact O-N 3.06Å; V270-V272 VanDerWaalsContact C-N 3.31Å; V270-V272 PolarHBondContact O-N 3.17Å; V270-F273 PolarHBondContact O-N 3.31Å; V270-F273 VanDerWaalsContact O-N 3.15Å; V270-V274 HydrophobicContact CG1-CG2 4.19Å; V270-V274 WeakPolarHBondContact O-CG2 3.5Å; V270-V274 PolarHBondContact O-N 3.16Å
271	V	90	Very high	87	Confident	59 Å²	59	61.5 Å²	61.5	36%	0.358	32%	0.32	S	S	.	.	H	α-helix	trans	-58.1	-44.7	176.2	170.5	0	0	0	0	111.1	L267 M268 G275 V279 L526	L267-V271 WeakPolarHBondContact O-CG2 3.33Å; L267-V271 PolarHBondContact O-N 3.27Å; M268-V271 PolarHBondContact O-N 2.66Å; V271-G275 PolarHBondContact O-N 3.3Å; V271-V279 HydrophobicContact CG1-CG2 4.04Å; V271-L526 HydrophobicContact CG1-CD2 4.39Å
272	V	89.1	Confident	86.4	Confident	10 Å²	10	65.2 Å²	65.2	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-65.5	-38.1	176.9	173	0	0	0	0	111.8	M268 A269 V270 V276 L526 L529 T530 L564	M268-V272 WeakPolarHBondContact O-CG2 3.32Å; M268-V272 PolarHBondContact O-N 3.32Å; A269-V272 PolarHBondContact O-N 3.35Å; V270-V272 VanDerWaalsContact C-N 3.31Å; V270-V272 PolarHBondContact O-N 3.17Å; V272-V276 HydrophobicContact CG1-CG2 4.35Å; V272-L526 HydrophobicContact CG2-CD2 4.16Å; V272-L529 HydrophobicContact CG2-CD2 4.26Å; V272-L529 HydrophobicContact CG2-CG 4.4Å; V272-T530 HydrophobicContact CB-CG2 4.24Å; V272-T530 HydrophobicContact CG1-CG2 3.78Å; V272-T530 HydrophobicContact CG2-CG2 3.49Å; V272-T530 VanDerWaalsContact CG2-CG2 3.49Å; V272-L564 HydrophobicContact CB-CD1 4.38Å; V272-L564 HydrophobicContact CB-CD2 4.48Å; V272-L564 HydrophobicContact CG1-CD1 3.76Å; V272-L564 HydrophobicContact CG1-CD2 4.01Å
273	F	88.1	Confident	85.6	Confident	103 Å²	103	62.8 Å²	62.8	45%	0.452	32%	0.324	S	S	.	.	H	α-helix	trans	-71	-35.3	-179.9	-177.4	-95.9	0	0	0	114.1	A269 V270 K555 T561 L564	A269-F273 WeakPolarHBondContact O-CB 3.16Å; A269-F273 PolarHBondContact O-N 3.01Å; V270-F273 PolarHBondContact O-N 3.31Å; V270-F273 VanDerWaalsContact O-N 3.15Å; F273-K555 PolarHBondContact O-NZ 3.17Å; F273-T561 HydrophobicContact CE2-CG2 4.2Å; F273-L564 HydrophobicContact CB-CD2 3.98Å; F273-L564 HydrophobicContact CD2-CD2 4.27Å
274	V	86	Confident	84.9	Confident	106 Å²	106	59.6 Å²	59.6	64%	0.642	31%	0.311	S	S	*	.	H	α-helix	trans	-73.9	-36.6	180	171.4	0	0	0	0	111.4	V270	V270-V274 HydrophobicContact CG1-CG2 4.19Å; V270-V274 WeakPolarHBondContact O-CG2 3.5Å; V270-V274 PolarHBondContact O-N 3.16Å
275	G	72.1	Confident	84.5	Confident	7 Å²	7	62.8 Å²	62.8	7%	0.072	33%	0.326	C	S	.	.			trans	165.5	128	165.8	0	0	0	0	0	115.2	V271 K277 Y278	V271-G275 PolarHBondContact O-N 3.3Å; G275-K277 PolarHBondContact O-N 3.02Å; G275-K277 VanDerWaalsContact O-N 3.15Å; G275-Y278 PolarHBondContact O-N 3.48Å
276	V	75.3	Confident	84.1	Confident	6 Å²	6	63 Å²	63	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-68.6	-15.5	-178.2	-177.2	0	0	0	0	112.9	V98 V272 Y278 V279 N280 T530 E559	V98-V276 HydrophobicContact CG1-CG1 4.09Å; V98-V276 HydrophobicContact CG2-CG1 4.32Å; V272-V276 HydrophobicContact CG1-CG2 4.35Å; V276-Y278 VanDerWaalsContact C-N 3.25Å; V276-Y278 PolarHBondContact O-N 3.4Å; V276-V279 PolarHBondContact O-N 3.42Å; V276-N280 PolarHBondContact O-N 2.86Å; V276-T530 HydrophobicContact CG1-CG2 4.1Å; V276-T530 HydrophobicContact CG2-CG2 4.14Å; V276-E559 PolarHBondContact N-OE1 3.39Å
277	K	75.8	Confident	83.7	Confident	157 Å²	157	60.8 Å²	60.8	68%	0.683	31%	0.31	S	S	*	.	H	α-helix	trans	-58.8	-34.2	178.1	-66.6	-177.2	-178.7	177.3	0	113.2	G275 K281	G275-K277 PolarHBondContact O-N 3.02Å; G275-K277 VanDerWaalsContact O-N 3.15Å; K277-K281 PolarHBondContact O-N 3.37Å
278	Y	76.6	Confident	83.5	Confident	161 Å²	161	57.4 Å²	57.4	63%	0.631	30%	0.298	S	S	*	.	H	α-helix	trans	-73.5	-40.4	178.1	-63.3	-77.9	0	0	0	111.6	G275 V276 N280 K281 L282	G275-Y278 PolarHBondContact O-N 3.48Å; V276-Y278 VanDerWaalsContact C-N 3.25Å; V276-Y278 PolarHBondContact O-N 3.4Å; Y278-N280 VanDerWaalsContact C-N 3.29Å; Y278-N280 PolarHBondContact O-N 2.95Å; Y278-K281 PolarHBondContact O-N 2.98Å; Y278-L282 PolarHBondContact O-N 3.47Å
279	V	79.1	Confident	83.4	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-42.3	175.4	-177.2	0	0	0	0	110.6	V271 V276 K281 L282 A283 L526	V271-V279 HydrophobicContact CG1-CG2 4.04Å; V276-V279 PolarHBondContact O-N 3.42Å; V279-K281 VanDerWaalsContact C-N 3.34Å; V279-K281 PolarHBondContact O-N 2.97Å; V279-L282 PolarHBondContact O-N 3.47Å; V279-A283 PolarHBondContact O-N 3.33Å; V279-L526 HydrophobicContact CG1-CB 4.2Å
280	N	75	Confident	83.3	Confident	33 Å²	33	57.1 Å²	57.1	18%	0.176	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-42	176.5	-77.4	-12.8	0	0	0	113	Y95 T96 V98 V276 Y278 L282 A283	Y95-N280 VanDerWaalsContact O-O 3.14Å; T96-N280 HydrophobicContact CG2-CB 4.11Å; V98-N280 VanDerWaalsContact CB-OD1 3.28Å; V98-N280 WeakPolarHBondContact CB-OD1 3.36Å; V98-N280 WeakPolarHBondContact CG2-OD1 3.27Å; V276-N280 PolarHBondContact O-N 2.86Å; Y278-N280 VanDerWaalsContact C-N 3.29Å; Y278-N280 PolarHBondContact O-N 2.95Å; N280-L282 VanDerWaalsContact C-N 3.32Å; N280-L282 PolarHBondContact O-N 3.01Å; N280-A283 VanDerWaalsContact O-CB 3.22Å; N280-A283 WeakPolarHBondContact O-CB 3.36Å; N280-A283 PolarHBondContact O-N 3.19Å
281	K	77.1	Confident	83.3	Confident	158 Å²	158	56 Å²	56	69%	0.687	29%	0.285	S	S	*	.	H	α-helix	trans	-68.4	-30.9	178.7	-72.3	-175.1	177.3	-175.1	0	112.9	K277 Y278 V279 A283	K277-K281 PolarHBondContact O-N 3.37Å; Y278-K281 PolarHBondContact O-N 2.98Å; V279-K281 VanDerWaalsContact C-N 3.34Å; V279-K281 PolarHBondContact O-N 2.97Å; K281-A283 VanDerWaalsContact C-N 3.3Å
282	L	82.4	Confident	83.5	Confident	77 Å²	77	57.8 Å²	57.8	40%	0.403	29%	0.292	S	S	.	.	H	α-helix	trans	-79.9	-11.7	178.7	-65.4	175.5	0	0	0	113.1	Y278 V279 N280 S284 L285 F286	Y278-L282 PolarHBondContact O-N 3.47Å; V279-L282 PolarHBondContact O-N 3.47Å; N280-L282 VanDerWaalsContact C-N 3.32Å; N280-L282 PolarHBondContact O-N 3.01Å; L282-S284 VanDerWaalsContact C-N 3.3Å; L282-S284 PolarHBondContact O-N 3.41Å; L282-L285 HydrophobicContact CD2-CD2 4.35Å; L282-L285 WeakPolarHBondContact O-CB 3.45Å; L282-L285 PolarHBondContact O-N 3.41Å; L282-L285 VanDerWaalsContact O-N 3.14Å; L282-F286 HydrophobicContact CB-CD2 4.44Å; L282-F286 HydrophobicContact CB-CE2 3.82Å; L282-F286 HydrophobicContact CB-CZ 4.07Å; L282-F286 VanDerWaalsContact O-CD2 3.32Å; L282-F286 WeakPolarHBondContact O-CD2 3.4Å; L282-F286 PolarHBondContact O-N 2.98Å; L282-F286 VanDerWaalsContact O-N 3.15Å
283	A	79.9	Confident	83.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57	-39.6	-177.3	0	0	0	0	0	113.9	Y95 N97 Q136 V279 N280 K281 F286 L287	Y95-A283 HydrophobicContact CD1-CB 3.79Å; Y95-A283 HydrophobicContact CE1-CB 3.8Å; N97-A283 HydrophobicContact CB-CB 3.8Å; N97-A283 VanDerWaalsContact OD1-CB 3.29Å; N97-A283 WeakPolarHBondContact OD1-CB 3.44Å; Q136-A283 PolarHBondContact NE2-O 2.98Å; V279-A283 PolarHBondContact O-N 3.33Å; N280-A283 VanDerWaalsContact O-CB 3.22Å; N280-A283 WeakPolarHBondContact O-CB 3.36Å; N280-A283 PolarHBondContact O-N 3.19Å; K281-A283 VanDerWaalsContact C-N 3.3Å; A283-F286 PolarHBondContact O-N 3.11Å; A283-L287 PolarHBondContact O-N 3.13Å; A283-L287 VanDerWaalsContact O-N 3.16Å
284	S	81.8	Confident	83.9	Confident	41 Å²	41	53.2 Å²	53.2	29%	0.287	27%	0.272	S	S	.	.	H	α-helix	trans	-69.7	-35.3	179.4	56.8	0	0	0	0	112.1	L282 L287 A288	L282-S284 VanDerWaalsContact C-N 3.3Å; L282-S284 PolarHBondContact O-N 3.41Å; S284-L287 PolarHBondContact O-N 3.03Å; S284-A288 PolarHBondContact O-N 3.42Å
285	L	86.8	Confident	84.4	Confident	92 Å²	92	53.1 Å²	53.1	48%	0.482	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-45.9	174.4	178.7	65.7	0	0	0	111	L282 L287 A288 C289	L282-L285 HydrophobicContact CD2-CD2 4.35Å; L282-L285 WeakPolarHBondContact O-CB 3.45Å; L282-L285 PolarHBondContact O-N 3.41Å; L282-L285 VanDerWaalsContact O-N 3.14Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 3.03Å; L285-A288 PolarHBondContact O-N 2.97Å; L285-C289 PolarHBondContact O-N 2.76Å; L285-C289 PolarHBondContact O-SG 3.37Å
286	F	87	Confident	85.4	Confident	14 Å²	14	53.4 Å²	53.4	6%	0.061	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-40.8	177.7	-61.2	-42.5	0	0	0	112.2	L282 A283 C289 V290 F519 L526	L282-F286 HydrophobicContact CB-CD2 4.44Å; L282-F286 HydrophobicContact CB-CE2 3.82Å; L282-F286 HydrophobicContact CB-CZ 4.07Å; L282-F286 VanDerWaalsContact O-CD2 3.32Å; L282-F286 WeakPolarHBondContact O-CD2 3.4Å; L282-F286 PolarHBondContact O-N 2.98Å; L282-F286 VanDerWaalsContact O-N 3.15Å; A283-F286 PolarHBondContact O-N 3.11Å; F286-C289 PolarHBondContact O-N 2.91Å; F286-V290 WeakPolarHBondContact O-CG2 3.34Å; F286-V290 PolarHBondContact O-N 3.22Å; F286-F519 HydrophobicContact CD1-CB 4.27Å; F286-F519 VanDerWaalsContact CD1-O 3.24Å; F286-F519 WeakPolarHBondContact CD1-O 3.18Å; F286-F519 HydrophobicContact CE1-CB 4.42Å; F286-F519 HydrophobicContact CE1-CD1 4.43Å; F286-L526 HydrophobicContact CZ-CD1 4.44Å
287	L	86.4	Confident	86.3	Confident	13 Å²	13	53.3 Å²	53.3	7%	0.068	27%	0.266	C	S	.	.	H	α-helix	trans	-61.7	-44.4	174.9	177.9	63.5	0	0	0	111.9	Y95 L132 L135 Q136 A283 S284 L285 C289 V290 I291	Y95-L287 HydrophobicContact CE1-CD2 4.46Å; L132-L287 HydrophobicContact CB-CD2 4.13Å; L132-L287 HydrophobicContact CD1-CD2 4.21Å; L132-L287 HydrophobicContact CD2-CD2 4.23Å; L132-L287 HydrophobicContact CG-CD2 4.42Å; L135-L287 HydrophobicContact CD2-CD1 4.04Å; Q136-L287 HydrophobicContact CB-CD1 4.17Å; A283-L287 PolarHBondContact O-N 3.13Å; A283-L287 VanDerWaalsContact O-N 3.16Å; S284-L287 PolarHBondContact O-N 3.03Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 3.03Å; L287-C289 VanDerWaalsContact C-N 3.33Å; L287-C289 PolarHBondContact O-N 3.22Å; L287-V290 PolarHBondContact O-N 3.29Å; L287-I291 HydrophobicContact CD1-CD1 3.97Å; L287-I291 HydrophobicContact CD1-CG1 4.34Å; L287-I291 HydrophobicContact CG-CD1 4.01Å; L287-I291 WeakPolarHBondContact O-CG1 3.4Å; L287-I291 PolarHBondContact O-N 2.65Å; L287-I291 VanDerWaalsContact O-N 3.11Å
288	A	89.4	Confident	87.2	Confident	41 Å²	41	48.9 Å²	48.9	34%	0.339	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-42	177.5	0	0	0	0	0	111.9	S284 L285 V290 I291 I292	S284-A288 PolarHBondContact O-N 3.42Å; L285-A288 PolarHBondContact O-N 2.97Å; A288-V290 VanDerWaalsContact C-N 3.32Å; A288-V290 PolarHBondContact O-N 2.96Å; A288-I291 PolarHBondContact O-N 2.96Å; A288-I292 WeakPolarHBondContact O-CB 3.36Å; A288-I292 VanDerWaalsContact O-CG1 3.26Å; A288-I292 WeakPolarHBondContact O-CG1 3.34Å; A288-I292 PolarHBondContact O-N 2.83Å
289	C	89.8	Confident	88.1	Confident	24 Å²	24	42.6 Å²	42.6	16%	0.162	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-42.3	177.1	-65.9	0	0	0	0	112.2	L285 F286 L287 S293	L285-C289 PolarHBondContact O-N 2.76Å; L285-C289 PolarHBondContact O-SG 3.37Å; F286-C289 PolarHBondContact O-N 2.91Å; L287-C289 VanDerWaalsContact C-N 3.33Å; L287-C289 PolarHBondContact O-N 3.22Å; C289-S293 WeakPolarHBondContact O-CB 3.27Å; C289-S293 PolarHBondContact O-N 3.02Å; C289-S293 VanDerWaalsContact O-N 3.08Å; C289-S293 PolarHBondContact O-OG 3.16Å
290	V	90.2	Very high	88.8	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-64.9	-49.8	178	173.8	0	0	0	0	111.1	F139 F286 L287 A288 I292 S293 I294 S520	F139-V290 HydrophobicContact CB-CG1 3.76Å; F139-V290 HydrophobicContact CD2-CG1 3.81Å; F139-V290 HydrophobicContact CG-CG1 4.02Å; F286-V290 WeakPolarHBondContact O-CG2 3.34Å; F286-V290 PolarHBondContact O-N 3.22Å; L287-V290 PolarHBondContact O-N 3.29Å; A288-V290 VanDerWaalsContact C-N 3.32Å; A288-V290 PolarHBondContact O-N 2.96Å; V290-I292 PolarHBondContact O-N 3.33Å; V290-S293 PolarHBondContact O-N 3.44Å; V290-I294 HydrophobicContact CG1-CD1 3.85Å; V290-I294 WeakPolarHBondContact O-CG1 3.35Å; V290-I294 PolarHBondContact O-N 2.94Å; V290-S520 WeakPolarHBondContact CG2-OG 3.4Å
291	I	91.9	Very high	89.6	Confident	68 Å²	68	41 Å²	41	35%	0.349	22%	0.22	S	C	.	.	H	α-helix	trans	-63.5	-45.4	-176.9	-66	173.4	0	0	0	110.8	L287 A288 S293 I294 I295	L287-I291 HydrophobicContact CD1-CD1 3.97Å; L287-I291 HydrophobicContact CD1-CG1 4.34Å; L287-I291 HydrophobicContact CG-CD1 4.01Å; L287-I291 WeakPolarHBondContact O-CG1 3.4Å; L287-I291 PolarHBondContact O-N 2.65Å; L287-I291 VanDerWaalsContact O-N 3.11Å; A288-I291 PolarHBondContact O-N 2.96Å; I291-S293 VanDerWaalsContact C-N 3.31Å; I291-S293 PolarHBondContact O-N 2.95Å; I291-I294 PolarHBondContact O-N 3.42Å; I291-I295 HydrophobicContact CG2-CD1 3.74Å; I291-I295 HydrophobicContact CG2-CG1 4.43Å; I291-I295 WeakPolarHBondContact O-CG1 3.43Å; I291-I295 PolarHBondContact O-N 2.97Å
292	I	93.5	Very high	90.3	Very high	96 Å²	96	39.2 Å²	39.2	49%	0.492	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-43.7	177.4	-68.2	167.6	0	0	0	110.3	A288 V290 I294 I295 S296 V512	A288-I292 WeakPolarHBondContact O-CB 3.36Å; A288-I292 VanDerWaalsContact O-CG1 3.26Å; A288-I292 WeakPolarHBondContact O-CG1 3.34Å; A288-I292 PolarHBondContact O-N 2.83Å; V290-I292 PolarHBondContact O-N 3.33Å; I292-I294 PolarHBondContact O-N 3.33Å; I292-I295 PolarHBondContact O-N 3.32Å; I292-S296 WeakPolarHBondContact O-CB 3.41Å; I292-S296 PolarHBondContact O-N 3.33Å; I292-S296 PolarHBondContact O-OG 3.18Å; I292-V512 HydrophobicContact CG2-CG1 4.18Å
293	S	93.4	Very high	90.8	Very high	1 Å²	1	40 Å²	40	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-44.7	178.4	-59.2	0	0	0	0	112	C289 V290 I291 S296 I297 I513	C289-S293 WeakPolarHBondContact O-CB 3.27Å; C289-S293 PolarHBondContact O-N 3.02Å; C289-S293 VanDerWaalsContact O-N 3.08Å; C289-S293 PolarHBondContact O-OG 3.16Å; V290-S293 PolarHBondContact O-N 3.44Å; I291-S293 VanDerWaalsContact C-N 3.31Å; I291-S293 PolarHBondContact O-N 2.95Å; S293-S296 PolarHBondContact O-N 3.07Å; S293-I297 WeakPolarHBondContact O-CG1 3.44Å; S293-I297 PolarHBondContact O-N 3.21Å; S293-I297 VanDerWaalsContact O-N 3.13Å; S293-I513 WeakPolarHBondContact O-CD1 3.4Å
294	I	93.2	Very high	91.4	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.082	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-45.9	178	-67.4	170.5	0	0	0	110.8	F139 L143 V290 I291 I292 S296 I297 Y298 V471	F139-I294 HydrophobicContact CD1-CD1 4.15Å; F139-I294 HydrophobicContact CD2-CD1 3.9Å; F139-I294 HydrophobicContact CE1-CD1 3.95Å; F139-I294 HydrophobicContact CE2-CD1 3.65Å; F139-I294 HydrophobicContact CG-CD1 4.15Å; F139-I294 HydrophobicContact CZ-CD1 3.69Å; L143-I294 HydrophobicContact CD2-CD1 4.15Å; L143-I294 HydrophobicContact CD2-CG1 4.05Å; V290-I294 HydrophobicContact CG1-CD1 3.85Å; V290-I294 WeakPolarHBondContact O-CG1 3.35Å; V290-I294 PolarHBondContact O-N 2.94Å; I291-I294 PolarHBondContact O-N 3.42Å; I292-I294 PolarHBondContact O-N 3.33Å; I294-S296 VanDerWaalsContact C-N 3.3Å; I294-S296 PolarHBondContact O-N 3.32Å; I294-I297 WeakPolarHBondContact O-CB 3.5Å; I294-I297 PolarHBondContact O-N 2.8Å; I294-Y298 HydrophobicContact CG2-CD2 3.84Å; I294-Y298 HydrophobicContact CG2-CE2 3.53Å; I294-Y298 WeakPolarHBondContact O-CD2 3.45Å; I294-Y298 PolarHBondContact O-N 3.11Å; I294-V471 HydrophobicContact CG2-CG1 4.23Å
295	I	94.8	Very high	91.8	Very high	104 Å²	104	44.4 Å²	44.4	53%	0.533	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-40.9	178	-67.5	169.5	0	0	0	110.8	I291 I292 I297 Y298 A299	I291-I295 HydrophobicContact CG2-CD1 3.74Å; I291-I295 HydrophobicContact CG2-CG1 4.43Å; I291-I295 WeakPolarHBondContact O-CG1 3.43Å; I291-I295 PolarHBondContact O-N 2.97Å; I292-I295 PolarHBondContact O-N 3.32Å; I295-I297 VanDerWaalsContact C-N 3.3Å; I295-I297 PolarHBondContact O-N 3.06Å; I295-Y298 PolarHBondContact O-N 2.78Å; I295-A299 WeakPolarHBondContact O-CB 3.27Å; I295-A299 PolarHBondContact O-N 3.31Å
296	S	94.4	Very high	91.9	Very high	12 Å²	12	44.6 Å²	44.6	8%	0.084	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-34.1	176.2	-80.4	0	0	0	0	113.6	I292 S293 I294 G300 W507	I292-S296 WeakPolarHBondContact O-CB 3.41Å; I292-S296 PolarHBondContact O-N 3.33Å; I292-S296 PolarHBondContact O-OG 3.18Å; S293-S296 PolarHBondContact O-N 3.07Å; I294-S296 VanDerWaalsContact C-N 3.3Å; I294-S296 PolarHBondContact O-N 3.32Å; S296-G300 PolarHBondContact O-N 2.91Å; S296-W507 WeakPolarHBondContact CA-O 3.47Å; S296-W507 WeakPolarHBondContact CB-O 3.48Å; S296-W507 PolarHBondContact O-N 2.85Å; S296-W507 VanDerWaalsContact O-N 3.09Å; S296-W507 PolarHBondContact OG-O 2.97Å
297	I	94.1	Very high	92	Very high	5 Å²	5	50.3 Å²	50.3	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-49.7	174.1	-66.3	164.7	0	0	0	110.2	F144 S293 I294 I295 G300 A301 F479 V502 I513	F144-I297 HydrophobicContact CD1-CD1 4.18Å; F144-I297 HydrophobicContact CE1-CD1 3.96Å; S293-I297 WeakPolarHBondContact O-CG1 3.44Å; S293-I297 PolarHBondContact O-N 3.21Å; S293-I297 VanDerWaalsContact O-N 3.13Å; I294-I297 WeakPolarHBondContact O-CB 3.5Å; I294-I297 PolarHBondContact O-N 2.8Å; I295-I297 VanDerWaalsContact C-N 3.3Å; I295-I297 PolarHBondContact O-N 3.06Å; I297-G300 PolarHBondContact O-N 3.16Å; I297-A301 WeakPolarHBondContact O-CB 3.47Å; I297-A301 PolarHBondContact O-N 2.82Å; I297-F479 HydrophobicContact CG2-CE1 3.81Å; I297-F479 HydrophobicContact CG2-CZ 4.26Å; I297-V502 HydrophobicContact CD1-CG2 3.49Å; I297-V502 VanDerWaalsContact CD1-CG2 3.49Å; I297-V502 HydrophobicContact CG1-CG2 3.65Å; I297-V502 HydrophobicContact CG2-CG2 4.25Å; I297-I513 HydrophobicContact CD1-CD1 4.25Å; I297-I513 HydrophobicContact CG1-CD1 3.84Å
298	Y	95.1	Very high	92.1	Very high	63 Å²	63	52 Å²	52	25%	0.247	28%	0.278	C	S	.	.	H	α-helix	trans	-63.2	-43.7	178.8	-76.2	-71.4	0	0	0	112.5	I294 I295 G300 A301 I302 S474 L478	I294-Y298 HydrophobicContact CG2-CD2 3.84Å; I294-Y298 HydrophobicContact CG2-CE2 3.53Å; I294-Y298 WeakPolarHBondContact O-CD2 3.45Å; I294-Y298 PolarHBondContact O-N 3.11Å; I295-Y298 PolarHBondContact O-N 2.78Å; Y298-G300 VanDerWaalsContact C-N 3.29Å; Y298-G300 PolarHBondContact O-N 3.43Å; Y298-A301 PolarHBondContact O-N 2.93Å; Y298-I302 WeakPolarHBondContact O-CG1 3.44Å; Y298-I302 PolarHBondContact O-N 3.34Å; Y298-S474 PolarHBondContact OH-OG 2.73Å; Y298-L478 HydrophobicContact CD1-CD1 3.52Å; Y298-L478 HydrophobicContact CE1-CD1 3.45Å; Y298-L478 VanDerWaalsContact CE1-CD1 3.45Å
299	A	94.4	Very high	92.1	Very high	30 Å²	30	51.9 Å²	51.9	25%	0.248	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-42	177	0	0	0	0	0	111.5	I295 K303 W507	I295-A299 WeakPolarHBondContact O-CB 3.27Å; I295-A299 PolarHBondContact O-N 3.31Å; A299-K303 VanDerWaalsContact O-CB 3.27Å; A299-K303 WeakPolarHBondContact O-CB 3.43Å; A299-K303 PolarHBondContact O-N 2.82Å; A299-W507 HydrophobicContact CB-CE3 4.01Å
300	G	93.6	Very high	91.9	Very high	4 Å²	4	59.7 Å²	59.7	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-44.6	175.6	0	0	0	0	0	113.5	S296 I297 Y298 I302 K303 S304 L505	S296-G300 PolarHBondContact O-N 2.91Å; I297-G300 PolarHBondContact O-N 3.16Å; Y298-G300 VanDerWaalsContact C-N 3.29Å; Y298-G300 PolarHBondContact O-N 3.43Å; G300-I302 PolarHBondContact O-N 2.85Å; G300-K303 PolarHBondContact O-N 3.21Å; G300-S304 PolarHBondContact O-N 3.25Å; G300-L505 CarbonylContact C-O 3.51Å; G300-L505 WeakPolarHBondContact CA-O 3.48Å
301	A	92.5	Very high	91.8	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.008	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-45.3	176.1	0	0	0	0	0	112.2	I297 Y298 S304 L478 L505	I297-A301 WeakPolarHBondContact O-CB 3.47Å; I297-A301 PolarHBondContact O-N 2.82Å; Y298-A301 PolarHBondContact O-N 2.93Å; A301-S304 WeakPolarHBondContact O-CB 3.35Å; A301-S304 PolarHBondContact O-N 3.47Å; A301-S304 PolarHBondContact O-OG 2.79Å; A301-L478 HydrophobicContact CB-CD1 4.27Å; A301-L478 HydrophobicContact CB-CD2 4.22Å; A301-L505 HydrophobicContact CB-CD2 4.31Å
302	I	92.8	Very high	91.8	Very high	120 Å²	120	61.5 Å²	61.5	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-65.5	-44	177.1	-65.8	167.1	0	0	0	110.6	Y298 G300 S304 M305	Y298-I302 WeakPolarHBondContact O-CG1 3.44Å; Y298-I302 PolarHBondContact O-N 3.34Å; G300-I302 PolarHBondContact O-N 2.85Å; I302-S304 PolarHBondContact O-N 3.38Å; I302-M305 VanDerWaalsContact O-CB 3.24Å; I302-M305 WeakPolarHBondContact O-CB 3.28Å; I302-M305 PolarHBondContact O-N 2.67Å; I302-M305 VanDerWaalsContact O-N 3.11Å
303	K	92.8	Very high	91.7	Very high	93 Å²	93	57 Å²	57	40%	0.404	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-33.6	177.4	-174.6	179.7	179.9	-176.1	0	112.3	A299 G300 M305 T306 H307 W507	A299-K303 VanDerWaalsContact O-CB 3.27Å; A299-K303 WeakPolarHBondContact O-CB 3.43Å; A299-K303 PolarHBondContact O-N 2.82Å; G300-K303 PolarHBondContact O-N 3.21Å; K303-M305 PolarHBondContact O-N 2.97Å; K303-M305 VanDerWaalsContact O-N 3.11Å; K303-T306 PolarHBondContact O-N 3.23Å; K303-T306 VanDerWaalsContact O-N 3.13Å; K303-T306 PolarHBondContact O-OG1 2.63Å; K303-H307 CarbonylContact O-C 3.54Å; K303-H307 PolarHBondContact O-N 2.72Å; K303-W507 HydrophobicContact CD-CG 4.11Å; K303-W507 VanDerWaalsContact NZ-CD1 3.31Å
304	S	91.8	Very high	91.6	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.021	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.3	178.5	83.4	0	0	0	0	113.9	G300 A301 I302 L377	G300-S304 PolarHBondContact O-N 3.25Å; A301-S304 WeakPolarHBondContact O-CB 3.35Å; A301-S304 PolarHBondContact O-N 3.47Å; A301-S304 PolarHBondContact O-OG 2.79Å; I302-S304 PolarHBondContact O-N 3.38Å; S304-L377 PolarHBondContact OG-N 3.02Å
305	M	90.4	Very high	91.5	Very high	130 Å²	130	56.1 Å²	56.1	64%	0.64	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-36.1	175.6	-172.9	178.5	174.8	0	0	112.4	I302 K303 L377	I302-M305 VanDerWaalsContact O-CB 3.24Å; I302-M305 WeakPolarHBondContact O-CB 3.28Å; I302-M305 PolarHBondContact O-N 2.67Å; I302-M305 VanDerWaalsContact O-N 3.11Å; K303-M305 PolarHBondContact O-N 2.97Å; K303-M305 VanDerWaalsContact O-N 3.11Å; M305-L377 HydrophobicContact CB-CB 4.33Å
306	T	88.3	Confident	91.3	Very high	97 Å²	97	51.2 Å²	51.2	60%	0.595	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-38.4	-178.8	54.3	0	0	0	0	112.4	K303	K303-T306 PolarHBondContact O-N 3.23Å; K303-T306 VanDerWaalsContact O-N 3.13Å; K303-T306 PolarHBondContact O-OG1 2.63Å
307	H	89.1	Confident	91	Very high	134 Å²	134	50.9 Å²	50.9	62%	0.62	26%	0.261	S	S	*	.	S	Bend	trans	-138.9	87.2	-176.9	-63.6	-60.8	0	0	0	110.4	K303	K303-H307 CarbonylContact O-C 3.54Å; K303-H307 PolarHBondContact O-N 2.72Å
308	P	88.6	Confident	90.8	Very high	49 Å²	49	51.3 Å²	51.3	32%	0.318	26%	0.264	S	S	.	.			trans	-66.4	138.4	178	26.5	-33.3	0	0	0	111.2
309	P	88.6	Confident	90.6	Very high	38 Å²	38	49.6 Å²	49.6	25%	0.247	26%	0.257	C	S	.	.			trans	-67	139.8	174.7	28.8	-34.2	0	0	0	110.9	F311 Q372 I374	P309-F311 HydrophobicContact CB-CD2 3.96Å; P309-F311 HydrophobicContact CB-CE2 3.96Å; P309-F311 HydrophobicContact CG-CD2 4.44Å; P309-F311 PolarHBondContact O-N 3.36Å; P309-Q372 PolarHBondContact O-NE2 2.95Å; P309-Q372 VanDerWaalsContact O-NE2 3.1Å; P309-I374 HydrophobicContact CG-CB 4.06Å; P309-I374 HydrophobicContact CG-CD1 3.66Å; P309-I374 HydrophobicContact CG-CG1 4.46Å; P309-I374 HydrophobicContact CG-CG2 3.88Å
310	K	86.7	Confident	90.4	Very high	188 Å²	188	48.2 Å²	48.2	82%	0.817	25%	0.245	S	C	*	.			trans	-89.4	89.4	-178.2	-65.8	-175.5	179.9	-178.2	0	110.6
311	F	88.4	Confident	90.3	Very high	55 Å²	55	48 Å²	48	24%	0.241	24%	0.243	C	C	.	.			trans	-115.7	93.7	168.8	-73.1	-80.7	0	0	0	109.4	P309 G373 I374 I504 P510	P309-F311 HydrophobicContact CB-CD2 3.96Å; P309-F311 HydrophobicContact CB-CE2 3.96Å; P309-F311 HydrophobicContact CG-CD2 4.44Å; P309-F311 PolarHBondContact O-N 3.36Å; F311-G373 WeakPolarHBondContact O-CA 3.45Å; F311-G373 PolarHBondContact O-N 3.2Å; F311-I374 HydrophobicContact CD2-CD1 4.27Å; F311-I504 HydrophobicContact CD1-CG2 4.07Å; F311-I504 HydrophobicContact CD2-CB 3.89Å; F311-I504 HydrophobicContact CD2-CG2 4.23Å; F311-I504 HydrophobicContact CE1-CG2 3.92Å; F311-I504 HydrophobicContact CE2-CB 3.83Å; F311-I504 HydrophobicContact CE2-CG2 4.07Å; F311-I504 HydrophobicContact CG-CB 4.29Å; F311-I504 HydrophobicContact CG-CG2 4.22Å; F311-I504 HydrophobicContact CZ-CB 4.19Å; F311-I504 HydrophobicContact CZ-CG2 3.92Å; F311-P510 HydrophobicContact CZ-CG 4.26Å
312	P	90.8	Very high	90.1	Very high	53 Å²	53	49.4 Å²	49.4	34%	0.344	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	144.3	-178.7	32.2	-34.2	0	0	0	112	E370 I371	P312-E370 HydrophobicContact CB-CG 3.59Å; P312-E370 VanDerWaalsContact CB-OE1 3.25Å; P312-E370 WeakPolarHBondContact CB-OE1 3.28Å; P312-E370 WeakPolarHBondContact CG-OE1 3.38Å; P312-I371 CarbonylContact C-O 3.57Å; P312-I371 WeakPolarHBondContact CA-O 3.37Å
313	I	92	Very high	89.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.4	176.2	60	168.9	0	0	0	110.2	M315 E370 I371 E484 V486 V487 A495 V496	I313-M315 HydrophobicContact CD1-SD 4.42Å; I313-E370 WeakPolarHBondContact O-CA 3.36Å; I313-I371 HydrophobicContact CD1-CD1 3.71Å; I313-I371 HydrophobicContact CD1-CG1 3.6Å; I313-I371 HydrophobicContact CG1-CD1 4.06Å; I313-I371 HydrophobicContact CG1-CG1 3.34Å; I313-I371 WeakPolarHBondContact CG1-O 3.49Å; I313-I371 PolarHBondContact N-O 3.36Å; I313-I371 PolarHBondContact O-N 2.81Å; I313-E484 HydrophobicContact CD1-CG 4.3Å; I313-V486 HydrophobicContact CD1-CG2 3.38Å; I313-V487 HydrophobicContact CD1-CG2 3.87Å; I313-V487 HydrophobicContact CG2-CG2 3.93Å; I313-A495 HydrophobicContact CG2-CB 4.29Å; I313-A495 WeakPolarHBondContact CG2-O 3.43Å; I313-V496 HydrophobicContact CG2-CG1 3.63Å
314	C	92	Very high	89.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.5	-175.1	-163.3	0	0	0	0	111.2	L321 F326 C329	C314-L321 HydrophobicContact CB-CB 4.45Å; C314-L321 HydrophobicContact CB-CD1 4.49Å; C314-L321 PolarHBondContact O-N 3.11Å; C314-F326 HydrophobicContact CB-CE2 3.84Å; C314-F326 HydrophobicContact CB-CZ 3.74Å; C314-F326 VanDerWaalsContact SG-CE2 3.59Å; C314-C329 WeakPolarHBondContact CA-SG 3.42Å; C314-C329 HydrophobicContact CB-CB 3.8Å; C314-C329 WeakPolarHBondContact CB-SG 3.31Å; C314-C329 WeakPolarHBondContact SG-CB 3.44Å; C314-C329 CovalentContact SG-SG 2.03Å; C314-C329 PolarHBondContact SG-SG 2.94Å
315	M	90.6	Very high	88.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	140	-178	-58.5	-64.3	-66.5	0	0	110.1	I313 N318 R319 T320 V368 T369 I371 K399 L402 V486	I313-M315 HydrophobicContact CD1-SD 4.42Å; M315-N318 VanDerWaalsContact CE-O 3.25Å; M315-N318 WeakPolarHBondContact CE-O 3.49Å; M315-R319 WeakPolarHBondContact CA-O 3.47Å; M315-T320 WeakPolarHBondContact CE-OG1 3.45Å; M315-T320 HydrophobicContact SD-CG2 4.01Å; M315-T320 PolarHBondContact SD-OG1 3.21Å; M315-V368 CarbonylContact O-C 3.29Å; M315-V368 WeakPolarHBondContact O-CA 3.37Å; M315-T369 PolarHBondContact N-O 3.42Å; M315-T369 PolarHBondContact O-N 2.86Å; M315-I371 HydrophobicContact CG-CD1 3.84Å; M315-I371 HydrophobicContact CG-CG1 3.98Å; M315-I371 HydrophobicContact SD-CD1 4.3Å; M315-K399 HydrophobicContact CE-CB 3.87Å; M315-L402 HydrophobicContact CB-CD1 4.24Å; M315-L402 HydrophobicContact CE-CD1 4.1Å; M315-L402 HydrophobicContact CG-CD1 4.19Å; M315-V486 HydrophobicContact CE-CG1 4.48Å
316	L	90.2	Very high	87.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	102.1	170.3	-179.5	71.7	0	0	0	108.7	N318 R319 L321 F348 Y362 F363 V368 Y417	L316-N318 PolarHBondContact O-N 3.25Å; L316-N318 VanDerWaalsContact O-N 3.13Å; L316-R319 PolarHBondContact N-O 2.98Å; L316-R319 PolarHBondContact O-N 3.28Å; L316-L321 HydrophobicContact CB-CD1 4.05Å; L316-L321 HydrophobicContact CB-CD2 4.37Å; L316-L321 HydrophobicContact CB-CG 4.21Å; L316-F348 HydrophobicContact CD2-CE1 4.49Å; L316-F348 HydrophobicContact CD2-CZ 4.47Å; L316-Y362 HydrophobicContact CB-CE1 4.49Å; L316-Y362 HydrophobicContact CD2-CD1 3.68Å; L316-Y362 HydrophobicContact CD2-CE1 3.75Å; L316-Y362 HydrophobicContact CG-CD1 4.19Å; L316-Y362 HydrophobicContact CG-CE1 3.83Å; L316-Y362 WeakPolarHBondContact O-CE1 3.43Å; L316-Y362 PolarHBondContact O-OH 3.4Å; L316-F363 HydrophobicContact CD1-CD2 3.67Å; L316-F363 HydrophobicContact CD1-CE2 4.13Å; L316-F363 HydrophobicContact CD2-CB 4.39Å; L316-F363 HydrophobicContact CD2-CD2 3.83Å; L316-F363 HydrophobicContact CG-CD2 4.42Å; L316-V368 HydrophobicContact CD1-CG2 3.58Å; L316-Y417 HydrophobicContact CD2-CE1 4.01Å; L316-Y417 VanDerWaalsContact CD2-OH 3.31Å; L316-Y417 WeakPolarHBondContact CD2-OH 3.26Å
317	G	88.4	Confident	87.5	Confident	5 Å²	5	39.8 Å²	39.8	5%	0.052	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-113.3	-166.4	0	0	0	0	0	110.5	N367 L402	G317-N367 PolarHBondContact N-O 3.11Å; G317-L402 WeakPolarHBondContact O-CD1 3.5Å
318	N	89.9	Confident	87.3	Confident	14 Å²	14	36.2 Å²	36.2	8%	0.075	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-9.4	176.3	69.3	-18.7	0	0	0	114.2	M315 L316 Y362 E398 K399 S404	M315-N318 VanDerWaalsContact CE-O 3.25Å; M315-N318 WeakPolarHBondContact CE-O 3.49Å; L316-N318 PolarHBondContact O-N 3.25Å; L316-N318 VanDerWaalsContact O-N 3.13Å; N318-Y362 PolarHBondContact N-OH 3.27Å; N318-Y362 PolarHBondContact OD1-OH 3.31Å; N318-E398 VanDerWaalsContact ND2-CD 3.27Å; N318-E398 PolarHBondContact ND2-OE2 3.37Å; N318-E398 CarbonylContact O-C 3.57Å; N318-E398 VanDerWaalsContact O-CA 3.22Å; N318-E398 WeakPolarHBondContact O-CA 3.35Å; N318-K399 PolarHBondContact O-N 2.97Å; N318-S404 PolarHBondContact ND2-OG 2.92Å; N318-S404 WeakPolarHBondContact OD1-CB 3.35Å; N318-S404 PolarHBondContact OD1-OG 3.05Å
319	R	90.1	Very high	87.3	Confident	27 Å²	27	34.7 Å²	34.7	10%	0.102	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137.1	-173.5	-63.4	-179.6	-174.5	163.9	5.5	112.7	M315 L316 Y362 I396 E398 S409 Y417	M315-R319 WeakPolarHBondContact CA-O 3.47Å; L316-R319 PolarHBondContact N-O 2.98Å; L316-R319 PolarHBondContact O-N 3.28Å; R319-Y362 HydrophobicContact CB-CE1 4.46Å; R319-Y362 HydrophobicContact CG-CE1 4.15Å; R319-I396 HydrophobicContact CB-CG2 3.98Å; R319-I396 HydrophobicContact CG-CG2 3.98Å; R319-E398 HydrophobicContact CG-CG 4.2Å; R319-E398 IonicContact NE-OE1 3.69Å; R319-S409 PolarHBondContact NH1-OG 3.34Å; R319-Y417 HydrophobicContact CB-CD1 3.81Å; R319-Y417 HydrophobicContact CB-CE1 3.79Å
320	T	91.1	Very high	87.3	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.2	178.1	-54.2	0	0	0	0	112.5	M315 L397 Y417 V418 V486 A495	M315-T320 WeakPolarHBondContact CE-OG1 3.45Å; M315-T320 HydrophobicContact SD-CG2 4.01Å; M315-T320 PolarHBondContact SD-OG1 3.21Å; T320-L397 PolarHBondContact N-O 3.25Å; T320-L397 PolarHBondContact OG1-O 2.84Å; T320-Y417 WeakPolarHBondContact O-CA 3.43Å; T320-V418 HydrophobicContact CG2-CB 4.39Å; T320-V418 HydrophobicContact CG2-CG2 3.95Å; T320-V418 PolarHBondContact O-N 3.23Å; T320-V486 WeakPolarHBondContact OG1-CG1 3.42Å; T320-A495 HydrophobicContact CG2-CB 3.92Å
321	L	90.5	Very high	87.3	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-97.5	149.4	179.3	-66	171.3	0	0	0	112.7	C314 L316 R323 F326 L344 F348 N416 Y417	C314-L321 HydrophobicContact CB-CB 4.45Å; C314-L321 HydrophobicContact CB-CD1 4.49Å; C314-L321 PolarHBondContact O-N 3.11Å; L316-L321 HydrophobicContact CB-CD1 4.05Å; L316-L321 HydrophobicContact CB-CD2 4.37Å; L316-L321 HydrophobicContact CB-CG 4.21Å; L321-R323 PolarHBondContact O-N 3.19Å; L321-F326 HydrophobicContact CB-CE1 4.19Å; L321-F326 HydrophobicContact CB-CZ 4.01Å; L321-F326 HydrophobicContact CD1-CZ 4.17Å; L321-L344 HydrophobicContact CD1-CD1 3.96Å; L321-L344 HydrophobicContact CD1-CD2 4.14Å; L321-F348 HydrophobicContact CD2-CE2 4.01Å; L321-F348 HydrophobicContact CD2-CZ 3.67Å; L321-N416 WeakPolarHBondContact CA-O 3.47Å; L321-Y417 HydrophobicContact CD2-CD1 3.66Å; L321-Y417 HydrophobicContact CD2-CE1 3.6Å
322	V	88.6	Confident	87.1	Confident	29 Å²	29	27.7 Å²	27.7	18%	0.176	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-71.9	117.2	172.7	177.4	0	0	0	0	110	D324 F326 N416 V418 N494	V322-D324 HydrophobicContact CG1-CB 4.35Å; V322-D324 PolarHBondContact O-N 3.25Å; V322-F326 WeakPolarHBondContact O-CE1 3.39Å; V322-N416 PolarHBondContact N-O 3.48Å; V322-V418 HydrophobicContact CG2-CG2 3.98Å; V322-N494 HydrophobicContact CG1-CB 4.31Å; V322-N494 HydrophobicContact CG2-CB 4.47Å
323	R	86.8	Confident	86.9	Confident	17 Å²	17	28 Å²	28	6%	0.064	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-78.2	-20.9	-170.4	-168.2	63	166.1	124.4	-9.3	114.8	L321 G325 F326 D327 E370 N494 A495 K497	L321-R323 PolarHBondContact O-N 3.19Å; R323-G325 PolarHBondContact O-N 3.39Å; R323-F326 PolarHBondContact NH1-O 3.14Å; R323-D327 PolarHBondContact NH1-O 3.07Å; R323-E370 IonicContact CZ-OE1 3.54Å; R323-E370 IonicContact NH2-OE1 2.68Å; R323-E370 PolarHBondContact NH2-OE1 3.43Å; R323-N494 PolarHBondContact N-O 3.34Å; R323-A495 VanDerWaalsContact CB-O 3.28Å; R323-A495 WeakPolarHBondContact CB-O 3.44Å; R323-K497 HydrophobicContact CB-CG 4.14Å; R323-K497 HydrophobicContact CG-CD 4.45Å; R323-K497 HydrophobicContact CG-CG 3.53Å
324	D	80.4	Confident	86.5	Confident	99 Å²	99	32.7 Å²	32.7	53%	0.529	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-66.9	-18.8	-177.2	-163.6	37.3	0	0	0	113.1	V322 Q498	V322-D324 HydrophobicContact CG1-CB 4.35Å; V322-D324 PolarHBondContact O-N 3.25Å; D324-Q498 PolarHBondContact OD2-NE2 3.46Å; D324-Q498 VanDerWaalsContact OD2-NE2 3.09Å
325	G	72.7	Confident	86.1	Confident	15 Å²	15	37.8 Å²	37.8	16%	0.155	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-89.1	-8.7	-171.4	0	0	0	0	0	116.8	R323 R347	R323-G325 PolarHBondContact O-N 3.39Å; G325-R347 VanDerWaalsContact CA-CZ 3.43Å; G325-R347 VanDerWaalsContact O-CZ 3.3Å; G325-R347 PolarHBondContact O-NE 3.18Å; G325-R347 VanDerWaalsContact O-NE 3.08Å; G325-R347 PolarHBondContact O-NH2 3.41Å
326	F	82.6	Confident	85.6	Confident	5 Å²	5	41.4 Å²	41.4	2%	0.022	25%	0.245	C	C	.	.			trans	-160.3	142.8	-175.2	58.1	-89.6	0	0	0	112.4	C314 L321 V322 R323 V328 C329 Q343 L344	C314-F326 HydrophobicContact CB-CE2 3.84Å; C314-F326 HydrophobicContact CB-CZ 3.74Å; C314-F326 VanDerWaalsContact SG-CE2 3.59Å; L321-F326 HydrophobicContact CB-CE1 4.19Å; L321-F326 HydrophobicContact CB-CZ 4.01Å; L321-F326 HydrophobicContact CD1-CZ 4.17Å; V322-F326 WeakPolarHBondContact O-CE1 3.39Å; R323-F326 PolarHBondContact NH1-O 3.14Å; F326-V328 WeakPolarHBondContact CD2-O 3.44Å; F326-C329 HydrophobicContact CE2-CB 4.33Å; F326-Q343 HydrophobicContact CB-CB 4.1Å; F326-L344 HydrophobicContact CD1-CD1 3.77Å; F326-L344 HydrophobicContact CE1-CD1 3.69Å; F326-L344 HydrophobicContact CE2-CD1 4.49Å; F326-L344 HydrophobicContact CG-CB 4.33Å; F326-L344 HydrophobicContact CG-CD1 4.21Å; F326-L344 HydrophobicContact CZ-CD1 4.07Å
327	D	79.6	Confident	85.3	Confident	106 Å²	106	49.1 Å²	49.1	57%	0.567	29%	0.287	S	S	*	.	S	Bend	trans	-82.2	-43.3	-177.4	-70.1	-43.3	0	0	0	113.5	R323	R323-D327 PolarHBondContact NH1-O 3.07Å
328	V	85.6	Confident	84.9	Confident	58 Å²	58	54.2 Å²	54.2	35%	0.352	31%	0.312	S	S	.	.			trans	-102.5	124.2	-176.1	-175.1	0	0	0	0	110.6	F326 A330	F326-V328 WeakPolarHBondContact CD2-O 3.44Å; V328-A330 HydrophobicContact CG1-CB 3.96Å; V328-A330 PolarHBondContact O-N 3.13Å
329	C	88	Confident	84.5	Confident	17 Å²	17	57.8 Å²	57.8	12%	0.115	33%	0.334	C	S	.	.			trans	-83.3	62.6	175.7	-178	0	0	0	0	111	C314 F326 V368 E370	C314-C329 WeakPolarHBondContact CA-SG 3.42Å; C314-C329 HydrophobicContact CB-CB 3.8Å; C314-C329 WeakPolarHBondContact CB-SG 3.31Å; C314-C329 WeakPolarHBondContact SG-CB 3.44Å; C314-C329 CovalentContact SG-SG 2.03Å; C314-C329 PolarHBondContact SG-SG 2.94Å; F326-C329 HydrophobicContact CE2-CB 4.33Å; C329-V368 VanDerWaalsContact SG-CG1 3.55Å; C329-E370 HydrophobicContact CB-CB 4.45Å; C329-E370 HydrophobicContact CB-CG 4.46Å
330	A	88.3	Confident	84.2	Confident	32 Å²	32	60.5 Å²	60.5	26%	0.264	35%	0.348	S	S	.	.	S	Bend	trans	-148.5	157.5	176.6	0	0	0	0	0	110.1	V328 S342	V328-A330 HydrophobicContact CG1-CB 3.96Å; V328-A330 PolarHBondContact O-N 3.13Å; A330-S342 VanDerWaalsContact O-CB 3.23Å; A330-S342 WeakPolarHBondContact O-CB 3.44Å; A330-S342 PolarHBondContact O-OG 2.89Å
331	K	86.5	Confident	83.8	Confident	41 Å²	41	62 Å²	62	18%	0.178	36%	0.358	C	S	.	.	S	Bend	trans	-72.8	-32.3	176.3	-65.8	-169.5	-177.7	178.4	0	112.5	S342 W345 F363 N366 V368	K331-S342 PolarHBondContact O-N 3.45Å; K331-S342 VanDerWaalsContact O-N 3.12Å; K331-S342 PolarHBondContact O-OG 3.37Å; K331-W345 HydrophobicContact CB-CE3 4.09Å; K331-W345 HydrophobicContact CB-CZ3 4.37Å; K331-W345 HydrophobicContact CD-CZ3 4.46Å; K331-F363 HydrophobicContact CB-CZ 4.47Å; K331-F363 HydrophobicContact CD-CE1 4.16Å; K331-F363 HydrophobicContact CD-CZ 4.03Å; K331-F363 WeakPolarHBondContact CE-O 3.39Å; K331-F363 HydrophobicContact CG-CE1 4.34Å; K331-F363 HydrophobicContact CG-CE2 4.33Å; K331-F363 HydrophobicContact CG-CZ 3.76Å; K331-F363 PolarHBondContact NZ-O 3.09Å; K331-N366 WeakPolarHBondContact CE-O 3.34Å; K331-N366 PolarHBondContact NZ-O 2.83Å; K331-V368 HydrophobicContact CD-CG2 4.44Å; K331-V368 HydrophobicContact CG-CB 4.46Å; K331-V368 HydrophobicContact CG-CG2 3.74Å
332	T	85.3	Confident	83.6	Confident	61 Å²	61	62.1 Å²	62.1	37%	0.374	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.4	-177.9	52.7	0	0	0	0	110	E340	T332-E340 CarbonylContact C-O 3.53Å; T332-E340 WeakPolarHBondContact CA-O 3.4Å
333	E	85.6	Confident	83.4	Confident	60 Å²	60	65.6 Å²	65.6	28%	0.28	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.3	175.1	-168.2	-178.8	-175.3	0	0	109.1	K335 E340	E333-K335 HydrophobicContact CG-CG 4.4Å; E333-K335 WeakPolarHBondContact OE1-CE 3.27Å; E333-K335 WeakPolarHBondContact OE2-CE 3.31Å; E333-K335 IonicContact OE2-NZ 3.72Å; E333-K335 PolarHBondContact OE2-NZ 3.11Å; E333-E340 PolarHBondContact N-O 3.44Å; E333-E340 PolarHBondContact O-N 3.45Å
334	V	84.7	Confident	83.4	Confident	98 Å²	98	64.9 Å²	64.9	59%	0.594	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	106.5	176.5	-177.4	0	0	0	0	108.3	I338 T339	V334-I338 WeakPolarHBondContact CA-O 3.38Å; V334-T339 HydrophobicContact CG2-CG2 4.18Å
335	K	83.7	Confident	83.7	Confident	108 Å²	108	61.9 Å²	61.9	47%	0.47	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	114.4	172.2	-72.6	-176.9	-174.2	152.3	0	109.1	E333 N337 I338	E333-K335 HydrophobicContact CG-CG 4.4Å; E333-K335 WeakPolarHBondContact OE1-CE 3.27Å; E333-K335 WeakPolarHBondContact OE2-CE 3.31Å; E333-K335 IonicContact OE2-NZ 3.72Å; E333-K335 PolarHBondContact OE2-NZ 3.11Å; K335-N337 PolarHBondContact O-N 3.25Å; K335-I338 PolarHBondContact N-O 3.18Å; K335-I338 PolarHBondContact O-N 2.83Å; K335-I338 VanDerWaalsContact O-N 3.11Å
336	G	78.1	Confident	84.2	Confident	75 Å²	75	65.6 Å²	65.6	77%	0.773	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	49.1	176.1	0	0	0	0	0	114.3	I338	G336-I338 PolarHBondContact O-N 3.1Å; G336-I338 VanDerWaalsContact O-N 3.13Å
337	N	83.9	Confident	84.2	Confident	163 Å²	163	70.3 Å²	70.3	87%	0.872	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	4.8	-175.8	-68.8	-10.3	0	0	0	116.2	K335	K335-N337 PolarHBondContact O-N 3.25Å
338	I	80.4	Confident	84.4	Confident	111 Å²	111	65.6 Å²	65.6	57%	0.569	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.6	173.7	-56.5	172.8	0	0	0	108.5	V334 K335 G336 E340	V334-I338 WeakPolarHBondContact CA-O 3.38Å; K335-I338 PolarHBondContact N-O 3.18Å; K335-I338 PolarHBondContact O-N 2.83Å; K335-I338 VanDerWaalsContact O-N 3.11Å; G336-I338 PolarHBondContact O-N 3.1Å; G336-I338 VanDerWaalsContact O-N 3.13Å; I338-E340 HydrophobicContact CG2-CG 4.35Å; I338-E340 PolarHBondContact O-N 3.15Å
339	T	82.8	Confident	84.3	Confident	90 Å²	90	63.2 Å²	63.2	55%	0.552	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	106.2	173	48.1	0	0	0	0	109.4	V334	V334-T339 HydrophobicContact CG2-CG2 4.18Å
340	E	83.4	Confident	83.5	Confident	83 Å²	83	68.1 Å²	68.1	39%	0.388	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	148.7	174	-67.4	-174.3	167.5	0	0	110.4	T332 E333 I338	T332-E340 CarbonylContact C-O 3.53Å; T332-E340 WeakPolarHBondContact CA-O 3.4Å; E333-E340 PolarHBondContact N-O 3.44Å; E333-E340 PolarHBondContact O-N 3.45Å; I338-E340 HydrophobicContact CG2-CG 4.35Å; I338-E340 PolarHBondContact O-N 3.15Å
341	P	82.6	Confident	82.5	Confident	34 Å²	34	68.5 Å²	68.5	22%	0.221	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	137	170.7	26.6	-32.4	0	0	0	110.2	W345 L354	P341-W345 HydrophobicContact CB-CB 3.83Å; P341-W345 HydrophobicContact CB-CD2 4.32Å; P341-W345 HydrophobicContact CB-CG 3.62Å; P341-L354 HydrophobicContact CB-CD1 4.45Å
342	S	86.3	Confident	81.1	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.014	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-74.5	169	178.7	74.7	0	0	0	0	111.8	A330 K331 L344 W345 N346	A330-S342 VanDerWaalsContact O-CB 3.23Å; A330-S342 WeakPolarHBondContact O-CB 3.44Å; A330-S342 PolarHBondContact O-OG 2.89Å; K331-S342 PolarHBondContact O-N 3.45Å; K331-S342 VanDerWaalsContact O-N 3.12Å; K331-S342 PolarHBondContact O-OG 3.37Å; S342-L344 PolarHBondContact O-N 3.1Å; S342-L344 VanDerWaalsContact O-N 3.17Å; S342-L344 WeakPolarHBondContact OG-CB 3.36Å; S342-L344 PolarHBondContact OG-N 2.86Å; S342-W345 VanDerWaalsContact O-CB 3.29Å; S342-W345 WeakPolarHBondContact O-CB 3.49Å; S342-W345 PolarHBondContact O-N 3.11Å; S342-W345 PolarHBondContact OG-N 3.33Å; S342-N346 PolarHBondContact O-N 3.07Å
343	Q	84.4	Confident	79.9	Confident	103 Å²	103	71.5 Å²	71.5	48%	0.481	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.4	170.9	-67.7	175.9	-4.3	0	0	112.7	F326	F326-Q343 HydrophobicContact CB-CB 4.1Å
344	L	86.8	Confident	78.8	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.005	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-38.8	175.7	-176.5	66.2	0	0	0	111.2	L321 F326 S342 N346 R347 F348 F363 V368	L321-L344 HydrophobicContact CD1-CD1 3.96Å; L321-L344 HydrophobicContact CD1-CD2 4.14Å; F326-L344 HydrophobicContact CD1-CD1 3.77Å; F326-L344 HydrophobicContact CE1-CD1 3.69Å; F326-L344 HydrophobicContact CE2-CD1 4.49Å; F326-L344 HydrophobicContact CG-CB 4.33Å; F326-L344 HydrophobicContact CG-CD1 4.21Å; F326-L344 HydrophobicContact CZ-CD1 4.07Å; S342-L344 PolarHBondContact O-N 3.1Å; S342-L344 VanDerWaalsContact O-N 3.17Å; S342-L344 WeakPolarHBondContact OG-CB 3.36Å; S342-L344 PolarHBondContact OG-N 2.86Å; L344-N346 PolarHBondContact O-N 3.14Å; L344-R347 PolarHBondContact O-N 2.83Å; L344-F348 HydrophobicContact CD1-CD2 4.11Å; L344-F348 HydrophobicContact CD1-CE2 3.73Å; L344-F348 HydrophobicContact CG-CD2 4.47Å; L344-F348 HydrophobicContact CG-CE2 4.49Å; L344-F348 WeakPolarHBondContact O-CD2 3.18Å; L344-F363 HydrophobicContact CD2-CE2 4.34Å; L344-F363 HydrophobicContact CG-CE2 4.2Å; L344-V368 HydrophobicContact CD2-CG1 4.12Å; L344-V368 HydrophobicContact CD2-CG2 3.97Å
345	W	86.4	Confident	77.6	Confident	36 Å²	36	74.1 Å²	74.1	14%	0.136	43%	0.43	C	S	.	.	H	α-helix	trans	-58.6	-46.7	176.3	-174.3	-83.8	0	0	0	111.7	K331 P341 S342 R347 F348 C349 L354 F363	K331-W345 HydrophobicContact CB-CE3 4.09Å; K331-W345 HydrophobicContact CB-CZ3 4.37Å; K331-W345 HydrophobicContact CD-CZ3 4.46Å; P341-W345 HydrophobicContact CB-CB 3.83Å; P341-W345 HydrophobicContact CB-CD2 4.32Å; P341-W345 HydrophobicContact CB-CG 3.62Å; S342-W345 VanDerWaalsContact O-CB 3.29Å; S342-W345 WeakPolarHBondContact O-CB 3.49Å; S342-W345 PolarHBondContact O-N 3.11Å; S342-W345 PolarHBondContact OG-N 3.33Å; W345-R347 PolarHBondContact O-N 3.35Å; W345-F348 PolarHBondContact O-N 3.17Å; W345-F348 VanDerWaalsContact O-N 3.12Å; W345-C349 VanDerWaalsContact CE2-SG 3.56Å; W345-C349 HydrophobicContact CG-CB 4.5Å; W345-C349 WeakPolarHBondContact O-CB 3.47Å; W345-C349 PolarHBondContact O-N 3.27Å; W345-L354 HydrophobicContact CD2-CD1 4.47Å; W345-L354 HydrophobicContact CH2-CD1 4.13Å; W345-L354 HydrophobicContact CZ2-CD1 3.88Å; W345-L354 HydrophobicContact CZ2-CG 4.39Å; W345-F363 HydrophobicContact CD2-CE1 4.3Å; W345-F363 AromaticContact CE3-CE1 3.72Å; W345-F363 HydrophobicContact CE3-CE1 3.72Å; W345-F363 HydrophobicContact CE3-CZ 4.25Å; W345-F363 HydrophobicContact CZ3-CE1 4.06Å
346	N	84.1	Confident	76.2	Confident	93 Å²	93	73.6 Å²	73.6	50%	0.497	44%	0.441	S	S	.	.	H	α-helix	trans	-63.6	-15.8	-179.1	-66	-19.5	0	0	0	114.1	S342 L344	S342-N346 PolarHBondContact O-N 3.07Å; L344-N346 PolarHBondContact O-N 3.14Å
347	R	81.2	Confident	75.4	Confident	104 Å²	104	71.3 Å²	71.3	39%	0.392	41%	0.414	S	S	.	.	H	α-helix	trans	-88	-22.5	177.6	-73.3	-179.7	174	-113	-5.4	113.9	G325 L344 W345 N416	G325-R347 VanDerWaalsContact CA-CZ 3.43Å; G325-R347 VanDerWaalsContact O-CZ 3.3Å; G325-R347 PolarHBondContact O-NE 3.18Å; G325-R347 VanDerWaalsContact O-NE 3.08Å; G325-R347 PolarHBondContact O-NH2 3.41Å; L344-R347 PolarHBondContact O-N 2.83Å; W345-R347 PolarHBondContact O-N 3.35Å; R347-N416 PolarHBondContact NH1-OD1 2.86Å; R347-N416 VanDerWaalsContact NH1-OD1 3.14Å; R347-N416 PolarHBondContact O-ND2 3.09Å
348	F	84.3	Confident	74.9	Confident	7 Å²	7	71.5 Å²	71.5	3%	0.031	41%	0.41	C	S	.	.	H	α-helix	trans	-112.8	-8.6	-177.4	-73.3	-83	0	0	0	113.2	L316 L321 L344 W345 C359 D360 F363 N413 N416 Y417	L316-F348 HydrophobicContact CD2-CE1 4.49Å; L316-F348 HydrophobicContact CD2-CZ 4.47Å; L321-F348 HydrophobicContact CD2-CE2 4.01Å; L321-F348 HydrophobicContact CD2-CZ 3.67Å; L344-F348 HydrophobicContact CD1-CD2 4.11Å; L344-F348 HydrophobicContact CD1-CE2 3.73Å; L344-F348 HydrophobicContact CG-CD2 4.47Å; L344-F348 HydrophobicContact CG-CE2 4.49Å; L344-F348 WeakPolarHBondContact O-CD2 3.18Å; W345-F348 PolarHBondContact O-N 3.17Å; W345-F348 VanDerWaalsContact O-N 3.12Å; F348-C359 WeakPolarHBondContact O-CA 3.31Å; F348-D360 HydrophobicContact CD1-CB 4.32Å; F348-D360 PolarHBondContact O-N 3.17Å; F348-F363 HydrophobicContact CB-CB 4.05Å; F348-F363 HydrophobicContact CB-CD1 3.94Å; F348-F363 HydrophobicContact CB-CD2 3.87Å; F348-F363 HydrophobicContact CB-CE1 4.32Å; F348-F363 HydrophobicContact CB-CE2 4.28Å; F348-F363 HydrophobicContact CB-CG 3.69Å; F348-F363 HydrophobicContact CB-CZ 4.47Å; F348-F363 HydrophobicContact CD1-CB 4.26Å; F348-F363 HydrophobicContact CD1-CD2 4.28Å; F348-F363 HydrophobicContact CD1-CG 4.45Å; F348-F363 AromaticContact CD2-CD2 3.78Å; F348-F363 HydrophobicContact CD2-CD2 3.78Å; F348-F363 AromaticContact CD2-CE2 3.86Å; F348-F363 HydrophobicContact CD2-CE2 3.86Å; F348-F363 HydrophobicContact CD2-CG 4.47Å; F348-F363 HydrophobicContact CE2-CD2 4.39Å; F348-F363 HydrophobicContact CG-CB 4.25Å; F348-F363 AromaticContact CG-CD2 3.71Å; F348-F363 HydrophobicContact CG-CD2 3.71Å; F348-F363 HydrophobicContact CG-CE2 4.19Å; F348-F363 AromaticContact CG-CG 3.98Å; F348-F363 HydrophobicContact CG-CG 3.98Å; F348-N413 HydrophobicContact CD1-CB 4.14Å; F348-N413 HydrophobicContact CE1-CB 4.05Å; F348-N416 HydrophobicContact CE1-CB 4.19Å; F348-N416 HydrophobicContact CE2-CB 3.91Å; F348-N416 HydrophobicContact CZ-CB 3.46Å; F348-N416 VanDerWaalsContact CZ-CB 3.46Å; F348-Y417 HydrophobicContact CE1-CE1 4.46Å; F348-Y417 HydrophobicContact CE1-CE2 4.18Å; F348-Y417 AromaticContact CE1-CZ 3.79Å; F348-Y417 WeakPolarHBondContact CE1-OH 3.46Å; F348-Y417 HydrophobicContact CZ-CE1 4.28Å
349	C	83.1	Confident	74.8	Confident	8 Å²	8	67.2 Å²	67.2	5%	0.054	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.1	-176.8	-65.3	0	0	0	0	111.5	W345 A357 C359	W345-C349 VanDerWaalsContact CE2-SG 3.56Å; W345-C349 HydrophobicContact CG-CB 4.5Å; W345-C349 WeakPolarHBondContact O-CB 3.47Å; W345-C349 PolarHBondContact O-N 3.27Å; C349-A357 HydrophobicContact CB-CB 4.15Å; C349-C359 HydrophobicContact CB-CB 4.03Å; C349-C359 WeakPolarHBondContact CB-SG 3.39Å; C349-C359 WeakPolarHBondContact SG-CB 3.39Å; C349-C359 CovalentContact SG-SG 2.03Å; C349-C359 PolarHBondContact SG-SG 3.18Å
350	V	72.5	Confident	74.9	Confident	120 Å²	120	63.1 Å²	63.1	73%	0.727	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	107.9	173.7	-175.6	0	0	0	0	109	Q358	V350-Q358 PolarHBondContact N-O 3.08Å
351	G	65.7	Low	74.9	Confident	40 Å²	40	63.5 Å²	63.5	41%	0.412	37%	0.369	S	S	.	.	S	Bend	trans	116.9	130.4	176.7	0	0	0	0	0	114	N353	G351-N353 VanDerWaalsContact C-N 3.33Å; G351-N353 PolarHBondContact O-N 3.41Å
352	G	58.8	Low	75	Confident	49 Å²	49	61.9 Å²	61.9	51%	0.505	36%	0.358	S	S	.	.	S	Bend	trans	-77.8	-3	-172.3	0	0	0	0	0	116.6
353	N	60.2	Low	75.1	Confident	117 Å²	117	61.9 Å²	61.9	63%	0.626	36%	0.358	S	S	*	.	S	Bend	trans	-105.1	133.6	178.2	-77.3	-13.1	0	0	0	111.2	G351 S355	G351-N353 VanDerWaalsContact C-N 3.33Å; G351-N353 PolarHBondContact O-N 3.41Å; N353-S355 PolarHBondContact O-N 2.84Å
354	L	62.5	Low	75.2	Confident	99 Å²	99	61.8 Å²	61.8	52%	0.518	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.2	-173.7	-142.2	78.3	0	0	0	114.5	P341 W345	P341-L354 HydrophobicContact CB-CD1 4.45Å; W345-L354 HydrophobicContact CD2-CD1 4.47Å; W345-L354 HydrophobicContact CH2-CD1 4.13Å; W345-L354 HydrophobicContact CZ2-CD1 3.88Å; W345-L354 HydrophobicContact CZ2-CG 4.39Å
355	S	57.6	Low	75.2	Confident	113 Å²	113	66.3 Å²	66.3	79%	0.79	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-10.5	-169.2	40.9	0	0	0	0	115.3	N353	N353-S355 PolarHBondContact O-N 2.84Å
356	S	54.4	Low	75.3	Confident	98 Å²	98	64.8 Å²	64.8	69%	0.685	38%	0.375	S	S	*	.	S	Bend	trans	-143	28.5	-176.9	73.6	0	0	0	0	114
357	A	62.3	Low	75.7	Confident	26 Å²	26	66.2 Å²	66.2	22%	0.215	38%	0.383	C	S	.	.			trans	-91.5	125.2	-177	0	0	0	0	0	111.3	C349 C359	C349-A357 HydrophobicContact CB-CB 4.15Å; A357-C359 PolarHBondContact O-N 3.3Å
358	Q	74.1	Confident	76.1	Confident	168 Å²	168	62.6 Å²	62.6	79%	0.785	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	107.4	166.6	-169.9	174.6	-5.4	0	0	107.2	V350	V350-Q358 PolarHBondContact N-O 3.08Å
359	C	77.8	Confident	76.4	Confident	20 Å²	20	64.9 Å²	64.9	14%	0.135	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	161.7	-176.6	-60.6	0	0	0	0	111.6	F348 C349 A357 D361 I364	F348-C359 WeakPolarHBondContact O-CA 3.31Å; C349-C359 HydrophobicContact CB-CB 4.03Å; C349-C359 WeakPolarHBondContact CB-SG 3.39Å; C349-C359 WeakPolarHBondContact SG-CB 3.39Å; C349-C359 CovalentContact SG-SG 2.03Å; C349-C359 PolarHBondContact SG-SG 3.18Å; A357-C359 PolarHBondContact O-N 3.3Å; C359-D361 PolarHBondContact O-N 3.22Å; C359-I364 HydrophobicContact CB-CD1 3.84Å; C359-I364 HydrophobicContact CB-CG1 3.93Å
360	D	83.6	Confident	76.8	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.027	41%	0.407	C	S	.	.			trans	-59.1	130.8	169.9	-167.5	-18.6	0	0	0	112.1	F348 Y362 F363 I364 S409 P410 N413	F348-D360 HydrophobicContact CD1-CB 4.32Å; F348-D360 PolarHBondContact O-N 3.17Å; D360-Y362 VanDerWaalsContact C-N 3.27Å; D360-Y362 PolarHBondContact O-N 2.79Å; D360-Y362 PolarHBondContact OD1-N 3.31Å; D360-Y362 VanDerWaalsContact OD1-N 3.08Å; D360-F363 HydrophobicContact CB-CB 3.88Å; D360-F363 WeakPolarHBondContact O-CB 3.27Å; D360-F363 PolarHBondContact O-N 3.49Å; D360-F363 VanDerWaalsContact O-N 3.07Å; D360-I364 PolarHBondContact O-N 2.92Å; D360-I364 VanDerWaalsContact O-N 3.07Å; D360-S409 PolarHBondContact OD1-OG 3.35Å; D360-S409 PolarHBondContact OD2-OG 2.67Å; D360-P410 WeakPolarHBondContact OD1-CD 3.28Å; D360-N413 VanDerWaalsContact CB-ND2 3.33Å; D360-N413 WeakPolarHBondContact CB-ND2 3.37Å; D360-N413 PolarHBondContact OD2-ND2 3.49Å
361	D	84	Confident	77.7	Confident	91 Å²	91	65.3 Å²	65.3	49%	0.487	38%	0.381	S	S	.	.	H	α-helix	trans	-58.5	-39.9	178.7	-73.2	-28	0	0	0	111.5	C359 F363 I364 Q365 A407	C359-D361 PolarHBondContact O-N 3.22Å; D361-F363 VanDerWaalsContact C-N 3.31Å; D361-F363 PolarHBondContact O-N 2.61Å; D361-I364 PolarHBondContact O-N 3.22Å; D361-Q365 VanDerWaalsContact O-CG 3.25Å; D361-Q365 WeakPolarHBondContact O-CG 3.29Å; D361-Q365 PolarHBondContact O-N 3.43Å; D361-A407 HydrophobicContact CB-CB 4.16Å
362	Y	85.9	Confident	78.9	Confident	0 Å²	0	67 Å²	67	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-67.6	-33.5	178.3	-174.4	-90.8	0	0	0	112.1	L316 N318 R319 D360 N366 V405 A407 S409 Y417	L316-Y362 HydrophobicContact CB-CE1 4.49Å; L316-Y362 HydrophobicContact CD2-CD1 3.68Å; L316-Y362 HydrophobicContact CD2-CE1 3.75Å; L316-Y362 HydrophobicContact CG-CD1 4.19Å; L316-Y362 HydrophobicContact CG-CE1 3.83Å; L316-Y362 WeakPolarHBondContact O-CE1 3.43Å; L316-Y362 PolarHBondContact O-OH 3.4Å; N318-Y362 PolarHBondContact N-OH 3.27Å; N318-Y362 PolarHBondContact OD1-OH 3.31Å; R319-Y362 HydrophobicContact CB-CE1 4.46Å; R319-Y362 HydrophobicContact CG-CE1 4.15Å; D360-Y362 VanDerWaalsContact C-N 3.27Å; D360-Y362 PolarHBondContact O-N 2.79Å; D360-Y362 PolarHBondContact OD1-N 3.31Å; D360-Y362 VanDerWaalsContact OD1-N 3.08Å; Y362-N366 VanDerWaalsContact CD2-ND2 3.28Å; Y362-N366 WeakPolarHBondContact CD2-ND2 3.4Å; Y362-N366 HydrophobicContact CE1-CB 4.41Å; Y362-N366 WeakPolarHBondContact CE2-ND2 3.37Å; Y362-N366 WeakPolarHBondContact O-CB 3.24Å; Y362-N366 PolarHBondContact O-N 2.92Å; Y362-N366 PolarHBondContact O-ND2 3.38Å; Y362-V405 WeakPolarHBondContact CE2-O 3.38Å; Y362-A407 HydrophobicContact CD2-CB 4.36Å; Y362-S409 WeakPolarHBondContact CB-OG 3.34Å; Y362-Y417 WeakPolarHBondContact CD1-OH 3.41Å
363	F	87.6	Confident	80.3	Confident	1 Å²	1	64.6 Å²	64.6	0%	0.004	35%	0.354	C	S	.	.	H	α-helix	trans	-73.5	-35.6	178.8	-177.1	-101.6	0	0	0	112.4	L316 K331 L344 W345 F348 D360 D361 V368	L316-F363 HydrophobicContact CD1-CD2 3.67Å; L316-F363 HydrophobicContact CD1-CE2 4.13Å; L316-F363 HydrophobicContact CD2-CB 4.39Å; L316-F363 HydrophobicContact CD2-CD2 3.83Å; L316-F363 HydrophobicContact CG-CD2 4.42Å; K331-F363 HydrophobicContact CB-CZ 4.47Å; K331-F363 HydrophobicContact CD-CE1 4.16Å; K331-F363 HydrophobicContact CD-CZ 4.03Å; K331-F363 WeakPolarHBondContact CE-O 3.39Å; K331-F363 HydrophobicContact CG-CE1 4.34Å; K331-F363 HydrophobicContact CG-CE2 4.33Å; K331-F363 HydrophobicContact CG-CZ 3.76Å; K331-F363 PolarHBondContact NZ-O 3.09Å; L344-F363 HydrophobicContact CD2-CE2 4.34Å; L344-F363 HydrophobicContact CG-CE2 4.2Å; W345-F363 HydrophobicContact CD2-CE1 4.3Å; W345-F363 AromaticContact CE3-CE1 3.72Å; W345-F363 HydrophobicContact CE3-CE1 3.72Å; W345-F363 HydrophobicContact CE3-CZ 4.25Å; W345-F363 HydrophobicContact CZ3-CE1 4.06Å; F348-F363 HydrophobicContact CB-CB 4.05Å; F348-F363 HydrophobicContact CB-CD1 3.94Å; F348-F363 HydrophobicContact CB-CD2 3.87Å; F348-F363 HydrophobicContact CB-CE1 4.32Å; F348-F363 HydrophobicContact CB-CE2 4.28Å; F348-F363 HydrophobicContact CB-CG 3.69Å; F348-F363 HydrophobicContact CB-CZ 4.47Å; F348-F363 HydrophobicContact CD1-CB 4.26Å; F348-F363 HydrophobicContact CD1-CD2 4.28Å; F348-F363 HydrophobicContact CD1-CG 4.45Å; F348-F363 AromaticContact CD2-CD2 3.78Å; F348-F363 HydrophobicContact CD2-CD2 3.78Å; F348-F363 AromaticContact CD2-CE2 3.86Å; F348-F363 HydrophobicContact CD2-CE2 3.86Å; F348-F363 HydrophobicContact CD2-CG 4.47Å; F348-F363 HydrophobicContact CE2-CD2 4.39Å; F348-F363 HydrophobicContact CG-CB 4.25Å; F348-F363 AromaticContact CG-CD2 3.71Å; F348-F363 HydrophobicContact CG-CD2 3.71Å; F348-F363 HydrophobicContact CG-CE2 4.19Å; F348-F363 AromaticContact CG-CG 3.98Å; F348-F363 HydrophobicContact CG-CG 3.98Å; D360-F363 HydrophobicContact CB-CB 3.88Å; D360-F363 WeakPolarHBondContact O-CB 3.27Å; D360-F363 PolarHBondContact O-N 3.49Å; D360-F363 VanDerWaalsContact O-N 3.07Å; D361-F363 VanDerWaalsContact C-N 3.31Å; D361-F363 PolarHBondContact O-N 2.61Å; F363-V368 HydrophobicContact CE2-CG2 4.29Å
364	I	86.3	Confident	81.8	Confident	101 Å²	101	59 Å²	59	52%	0.518	32%	0.324	S	S	.	.	H	α-helix	trans	-67.3	-48.2	176.2	-67.8	166.9	0	0	0	110.2	C359 D360 D361 N366	C359-I364 HydrophobicContact CB-CD1 3.84Å; C359-I364 HydrophobicContact CB-CG1 3.93Å; D360-I364 PolarHBondContact O-N 2.92Å; D360-I364 VanDerWaalsContact O-N 3.07Å; D361-I364 PolarHBondContact O-N 3.22Å; I364-N366 PolarHBondContact O-N 2.91Å
365	Q	87.5	Confident	83.1	Confident	96 Å²	96	55.9 Å²	55.9	45%	0.449	31%	0.31	S	S	.	.	H	α-helix	trans	-74.1	-25	-170.3	-65.9	176.3	22.8	0	0	113.9	D361 V405	D361-Q365 VanDerWaalsContact O-CG 3.25Å; D361-Q365 WeakPolarHBondContact O-CG 3.29Å; D361-Q365 PolarHBondContact O-N 3.43Å; Q365-V405 HydrophobicContact CB-CB 4.48Å
366	N	89	Confident	84.5	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.027	27%	0.272	C	S	.	.	S	Bend	trans	-109.4	141.9	-175.1	-65.4	-69.5	0	0	0	113	K331 Y362 I364 S404 V405	K331-N366 WeakPolarHBondContact CE-O 3.34Å; K331-N366 PolarHBondContact NZ-O 2.83Å; Y362-N366 VanDerWaalsContact CD2-ND2 3.28Å; Y362-N366 WeakPolarHBondContact CD2-ND2 3.4Å; Y362-N366 HydrophobicContact CE1-CB 4.41Å; Y362-N366 WeakPolarHBondContact CE2-ND2 3.37Å; Y362-N366 WeakPolarHBondContact O-CB 3.24Å; Y362-N366 PolarHBondContact O-N 2.92Å; Y362-N366 PolarHBondContact O-ND2 3.38Å; I364-N366 PolarHBondContact O-N 2.91Å; N366-S404 WeakPolarHBondContact OD1-CA 3.48Å; N366-V405 PolarHBondContact ND2-O 3.43Å; N366-V405 VanDerWaalsContact ND2-O 3.09Å; N366-V405 PolarHBondContact OD1-N 3.46Å
367	N	90.9	Very high	86.1	Confident	123 Å²	123	49 Å²	49	66%	0.658	26%	0.256	S	S	*	.			trans	-80.1	148.3	177	-72.4	-12.5	0	0	0	111.8	G317	G317-N367 PolarHBondContact N-O 3.11Å
368	V	90.5	Very high	87.1	Confident	27 Å²	27	50.9 Å²	50.9	16%	0.164	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	127.8	171.7	177.6	0	0	0	0	108.2	M315 L316 C329 K331 L344 F363	M315-V368 CarbonylContact O-C 3.29Å; M315-V368 WeakPolarHBondContact O-CA 3.37Å; L316-V368 HydrophobicContact CD1-CG2 3.58Å; C329-V368 VanDerWaalsContact SG-CG1 3.55Å; K331-V368 HydrophobicContact CD-CG2 4.44Å; K331-V368 HydrophobicContact CG-CB 4.46Å; K331-V368 HydrophobicContact CG-CG2 3.74Å; L344-V368 HydrophobicContact CD2-CG1 4.12Å; L344-V368 HydrophobicContact CD2-CG2 3.97Å; F363-V368 HydrophobicContact CE2-CG2 4.29Å
369	T	90.9	Very high	87.6	Confident	55 Å²	55	45.8 Å²	45.8	34%	0.337	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.5	178.7	59.1	0	0	0	0	110.9	M315	M315-T369 PolarHBondContact N-O 3.42Å; M315-T369 PolarHBondContact O-N 2.86Å
370	E	90.4	Very high	88	Confident	103 Å²	103	46.8 Å²	46.8	48%	0.481	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.1	176	-167	168.6	-140.8	0	0	108.8	P312 I313 R323 C329	P312-E370 HydrophobicContact CB-CG 3.59Å; P312-E370 VanDerWaalsContact CB-OE1 3.25Å; P312-E370 WeakPolarHBondContact CB-OE1 3.28Å; P312-E370 WeakPolarHBondContact CG-OE1 3.38Å; I313-E370 WeakPolarHBondContact O-CA 3.36Å; R323-E370 IonicContact CZ-OE1 3.54Å; R323-E370 IonicContact NH2-OE1 2.68Å; R323-E370 PolarHBondContact NH2-OE1 3.43Å; C329-E370 HydrophobicContact CB-CB 4.45Å; C329-E370 HydrophobicContact CB-CG 4.46Å
371	I	91.8	Very high	88.3	Confident	35 Å²	35	47 Å²	47	18%	0.179	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	157.9	179	66.6	174.9	0	0	0	110.2	P312 I313 M315 K399 E484	P312-I371 CarbonylContact C-O 3.57Å; P312-I371 WeakPolarHBondContact CA-O 3.37Å; I313-I371 HydrophobicContact CD1-CD1 3.71Å; I313-I371 HydrophobicContact CD1-CG1 3.6Å; I313-I371 HydrophobicContact CG1-CD1 4.06Å; I313-I371 HydrophobicContact CG1-CG1 3.34Å; I313-I371 WeakPolarHBondContact CG1-O 3.49Å; I313-I371 PolarHBondContact N-O 3.36Å; I313-I371 PolarHBondContact O-N 2.81Å; M315-I371 HydrophobicContact CG-CD1 3.84Å; M315-I371 HydrophobicContact CG-CG1 3.98Å; M315-I371 HydrophobicContact SD-CD1 4.3Å; I371-K399 HydrophobicContact CD1-CD 3.81Å; I371-E484 HydrophobicContact CD1-CG 4.46Å
372	Q	90.9	Very high	88.7	Confident	74 Å²	74	45.5 Å²	45.5	35%	0.346	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.4	-179.9	-167.8	167.8	-1.1	0	0	110.8	P309 I374	P309-Q372 PolarHBondContact O-NE2 2.95Å; P309-Q372 VanDerWaalsContact O-NE2 3.1Å; Q372-I374 WeakPolarHBondContact CG-O 3.27Å; Q372-I374 PolarHBondContact NE2-O 3.44Å; Q372-I374 VanDerWaalsContact NE2-O 3.08Å
373	G	88.6	Confident	88.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-73.6	-24.2	179.1	0	0	0	0	0	114.4	F311 E484	F311-G373 WeakPolarHBondContact O-CA 3.45Å; F311-G373 PolarHBondContact O-N 3.2Å; G373-E484 VanDerWaalsContact O-CB 3.25Å; G373-E484 WeakPolarHBondContact O-CB 3.44Å; G373-E484 PolarHBondContact O-N 3.32Å
374	I	91.5	Very high	89	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.329	C	S	.	.			trans	-124.7	87.8	171.9	-58.7	175.2	0	0	0	108	P309 F311 Q372 G376 C482 I504 L505	P309-I374 HydrophobicContact CG-CB 4.06Å; P309-I374 HydrophobicContact CG-CD1 3.66Å; P309-I374 HydrophobicContact CG-CG1 4.46Å; P309-I374 HydrophobicContact CG-CG2 3.88Å; F311-I374 HydrophobicContact CD2-CD1 4.27Å; Q372-I374 WeakPolarHBondContact CG-O 3.27Å; Q372-I374 PolarHBondContact NE2-O 3.44Å; Q372-I374 VanDerWaalsContact NE2-O 3.08Å; I374-G376 PolarHBondContact O-N 3.39Å; I374-C482 WeakPolarHBondContact CG2-O 3.15Å; I374-I504 HydrophobicContact CD1-CB 3.89Å; I374-I504 HydrophobicContact CD1-CD1 3.7Å; I374-I504 HydrophobicContact CD1-CG1 3.72Å; I374-I504 VanDerWaalsContact CD1-O 3.3Å; I374-I504 WeakPolarHBondContact CD1-O 3.35Å; I374-I504 HydrophobicContact CG1-CD1 3.99Å; I374-L505 HydrophobicContact CD1-CB 4.46Å; I374-L505 HydrophobicContact CG2-CD1 4.31Å
375	P	89.4	Confident	89.4	Confident	33 Å²	33	56.3 Å²	56.3	21%	0.214	31%	0.307	C	S	.	.			trans	-69.6	-18.7	175	31.1	-37.5	0	0	0	112	S379 I381 C482	P375-S379 WeakPolarHBondContact CB-OG 3.41Å; P375-I381 HydrophobicContact CG-CB 4.05Å; P375-I381 HydrophobicContact CG-CG1 4.21Å; P375-I381 HydrophobicContact CG-CG2 4.11Å; P375-C482 WeakPolarHBondContact CD-O 3.44Å
376	G	88.1	Confident	89.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.01	30%	0.299	C	S	.	.			trans	88.5	166.4	175.4	0	0	0	0	0	113.7	I374 G378 S379 C482	I374-G376 PolarHBondContact O-N 3.39Å; G376-G378 PolarHBondContact O-N 3Å; G376-G378 VanDerWaalsContact O-N 3.14Å; G376-S379 WeakPolarHBondContact O-CB 3.47Å; G376-S379 PolarHBondContact O-N 3.22Å; G376-S379 VanDerWaalsContact O-N 3.14Å; G376-S379 PolarHBondContact O-OG 2.99Å; G376-C482 PolarHBondContact N-O 2.79Å
377	L	88.2	Confident	89.9	Confident	64 Å²	64	62.7 Å²	62.7	34%	0.335	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-60.1	-27.9	-170.6	-167.9	65.4	0	0	0	114.1	S304 M305 S379 S481	S304-L377 PolarHBondContact OG-N 3.02Å; M305-L377 HydrophobicContact CB-CB 4.33Å; L377-S379 VanDerWaalsContact C-N 3.35Å; L377-S481 WeakPolarHBondContact CD1-OG 3.26Å
378	G	82.8	Confident	90	Very high	67 Å²	67	58.7 Å²	58.7	69%	0.691	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-80.4	-6.6	-179.5	0	0	0	0	0	115.5	G376	G376-G378 PolarHBondContact O-N 3Å; G376-G378 VanDerWaalsContact O-N 3.14Å
379	S	83.9	Confident	90	Very high	60 Å²	60	60.7 Å²	60.7	42%	0.42	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-81.6	-15.3	-169.9	65	0	0	0	0	115.5	P375 G376 L377 I381	P375-S379 WeakPolarHBondContact CB-OG 3.41Å; G376-S379 WeakPolarHBondContact O-CB 3.47Å; G376-S379 PolarHBondContact O-N 3.22Å; G376-S379 VanDerWaalsContact O-N 3.14Å; G376-S379 PolarHBondContact O-OG 2.99Å; L377-S379 VanDerWaalsContact C-N 3.35Å; S379-I381 VanDerWaalsContact C-N 3.32Å
380	G	86	Confident	90.1	Very high	41 Å²	41	61.5 Å²	61.5	42%	0.423	32%	0.319	S	S	.	.			trans	78.5	8.4	-176.9	0	0	0	0	0	115.4	I382 R383	G380-I382 PolarHBondContact O-N 3.28Å; G380-R383 PolarHBondContact O-N 3.36Å
381	I	90.3	Very high	90.1	Very high	9 Å²	9	58 Å²	58	5%	0.046	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-56.8	-20.9	179.5	-167.2	63.8	0	0	0	113.8	P375 S379 R383 E384 N385 S481 E484	P375-I381 HydrophobicContact CG-CB 4.05Å; P375-I381 HydrophobicContact CG-CG1 4.21Å; P375-I381 HydrophobicContact CG-CG2 4.11Å; S379-I381 VanDerWaalsContact C-N 3.32Å; I381-R383 PolarHBondContact O-N 2.99Å; I381-E384 HydrophobicContact CD1-CB 4.17Å; I381-E384 HydrophobicContact CD1-CG 4.35Å; I381-E384 WeakPolarHBondContact CD1-OE2 3.47Å; I381-E384 PolarHBondContact O-N 3.4Å; I381-N385 PolarHBondContact O-N 2.79Å; I381-S481 WeakPolarHBondContact CG2-O 3.45Å; I381-E484 WeakPolarHBondContact CD1-OE2 3.24Å
382	I	92.6	Very high	90	Very high	61 Å²	61	62.8 Å²	62.8	31%	0.313	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-49	-37	176	-165.5	175.4	0	0	0	112.6	I156 G380 E384 N385 M386	I156-I382 HydrophobicContact CD1-CD1 4.34Å; I156-I382 HydrophobicContact CD1-CG1 3.52Å; G380-I382 PolarHBondContact O-N 3.28Å; I382-E384 VanDerWaalsContact C-N 3.33Å; I382-E384 PolarHBondContact O-N 2.88Å; I382-N385 PolarHBondContact O-N 3.25Å; I382-M386 HydrophobicContact CG1-SD 4.18Å; I382-M386 VanDerWaalsContact O-CG 3.24Å; I382-M386 WeakPolarHBondContact O-CG 3.44Å; I382-M386 PolarHBondContact O-N 2.78Å
383	R	91	Very high	89.8	Confident	210 Å²	210	65.6 Å²	65.6	79%	0.792	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-65	-35.1	-179.1	-69.9	-175.5	177.8	174.1	0.4	112.8	G380 I381	G380-R383 PolarHBondContact O-N 3.36Å; I381-R383 PolarHBondContact O-N 2.99Å
384	E	89.6	Confident	89.6	Confident	107 Å²	107	67.5 Å²	67.5	50%	0.5	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-31.8	179	-63.6	-177	-169.6	0	0	111.2	I381 I382 K399	I381-E384 HydrophobicContact CD1-CB 4.17Å; I381-E384 HydrophobicContact CD1-CG 4.35Å; I381-E384 WeakPolarHBondContact CD1-OE2 3.47Å; I381-E384 PolarHBondContact O-N 3.4Å; I382-E384 VanDerWaalsContact C-N 3.33Å; I382-E384 PolarHBondContact O-N 2.88Å; E384-K399 IonicContact OE2-NZ 3.9Å; E384-K399 PolarHBondContact OE2-NZ 3.46Å
385	N	94.1	Very high	89.3	Confident	12 Å²	12	71.1 Å²	71.1	6%	0.064	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	5.9	-178.6	-69.1	-28.2	0	0	0	114.5	G155 I156 I381 I382 W387 G480 I483 G485	G155-N385 WeakPolarHBondContact CA-O 3.25Å; I156-N385 HydrophobicContact CD1-CB 4.21Å; I156-N385 WeakPolarHBondContact CG1-O 3.3Å; I156-N385 PolarHBondContact N-O 2.9Å; I381-N385 PolarHBondContact O-N 2.79Å; I382-N385 PolarHBondContact O-N 3.25Å; N385-W387 VanDerWaalsContact C-N 3.33Å; N385-W387 PolarHBondContact O-N 3.12Å; N385-G480 WeakPolarHBondContact CB-O 3.2Å; N385-G480 PolarHBondContact ND2-O 3.31Å; N385-I483 PolarHBondContact ND2-O 3.42Å; N385-G485 WeakPolarHBondContact OD1-CA 3.38Å
386	M	93.1	Very high	89.3	Confident	56 Å²	56	70.6 Å²	70.6	28%	0.276	37%	0.368	S	S	.	.	S	Bend	trans	-66.5	-34	-177.7	-74.6	-55.9	-72.1	0	0	113.5	I156 I157 I382	I156-M386 HydrophobicContact CB-SD 4.33Å; I156-M386 HydrophobicContact CD1-SD 4.07Å; I157-M386 HydrophobicContact CD1-CE 3.66Å; I157-M386 HydrophobicContact CG1-CE 3.56Å; I382-M386 HydrophobicContact CG1-SD 4.18Å; I382-M386 VanDerWaalsContact O-CG 3.24Å; I382-M386 WeakPolarHBondContact O-CG 3.44Å; I382-M386 PolarHBondContact O-N 2.78Å
387	W	93.5	Very high	89.4	Confident	179 Å²	179	70.6 Å²	70.6	68%	0.678	37%	0.367	S	S	*	.	S	Bend	trans	-105.9	158.7	-167.3	-55.4	108	0	0	0	112.7	G155 I157 N385	G155-W387 WeakPolarHBondContact CA-O 3.5Å; I157-W387 HydrophobicContact CD1-CH2 4.49Å; I157-W387 HydrophobicContact CD1-CZ3 4.26Å; N385-W387 VanDerWaalsContact C-N 3.33Å; N385-W387 PolarHBondContact O-N 3.12Å
388	S	93.5	Very high	89.4	Confident	39 Å²	39	71.2 Å²	71.2	27%	0.273	37%	0.369	S	S	.	.			trans	-77.3	141.1	179.8	56.5	0	0	0	0	112.5	M153 A154 Q158	M153-S388 CarbonylContact O-C 3.59Å; M153-S388 WeakPolarHBondContact O-CA 3.16Å; A154-S388 VanDerWaalsContact O-CA 3.3Å; A154-S388 WeakPolarHBondContact O-CA 3.46Å; A154-S388 VanDerWaalsContact O-CB 3.32Å; A154-S388 WeakPolarHBondContact O-CB 3.49Å; Q158-S388 PolarHBondContact NE2-OG 3.41Å
389	N	90.2	Very high	89.6	Confident	69 Å²	69	69.6 Å²	69.6	37%	0.369	34%	0.343	S	S	.	.			trans	-128.6	76.8	173.2	-67.5	-56.8	0	0	0	109.2	M153	M153-N389 WeakPolarHBondContact CE-O 3.48Å; M153-N389 CarbonylContact O-C 3.35Å; M153-N389 PolarHBondContact O-N 3.06Å
390	Y	92.9	Very high	89.2	Confident	72 Å²	72	71.1 Å²	71.1	28%	0.282	36%	0.358	S	S	.	.			trans	-75.5	125.3	175.8	-65.4	-62.9	0	0	0	110.3	Q158 F426 L429	Q158-Y390 PolarHBondContact OE1-OH 3.37Å; Y390-F426 WeakPolarHBondContact OH-CA 3.42Å; Y390-L429 HydrophobicContact CE1-CD1 3.83Å
391	L	89.2	Confident	88.6	Confident	29 Å²	29	73 Å²	73	15%	0.152	38%	0.379	C	S	.	.			trans	-116.1	150.1	-178.7	-62.2	172.1	0	0	0	110.7	M153 E395 A420 A423 T424	M153-L391 HydrophobicContact CE-CB 3.9Å; M153-L391 HydrophobicContact CE-CD1 4.18Å; M153-L391 HydrophobicContact CE-CG 4.02Å; L391-E395 WeakPolarHBondContact CA-OE2 3.42Å; L391-E395 HydrophobicContact CB-CB 4.46Å; L391-E395 HydrophobicContact CD2-CB 4.48Å; L391-E395 WeakPolarHBondContact CD2-OE2 3.41Å; L391-A420 HydrophobicContact CB-CB 3.89Å; L391-A420 HydrophobicContact CD1-CB 4.24Å; L391-A423 WeakPolarHBondContact O-CA 3.48Å; L391-T424 PolarHBondContact N-OG1 2.88Å; L391-T424 PolarHBondContact O-N 2.82Å; L391-T424 PolarHBondContact O-OG1 3.06Å
392	Q	90.7	Very high	88.3	Confident	136 Å²	136	75.2 Å²	75.2	64%	0.636	39%	0.39	S	S	*	.			trans	-81.1	159.2	168.6	-58.2	-169.1	8.9	0	0	111	G394 E395 A420	Q392-G394 PolarHBondContact O-N 2.92Å; Q392-E395 HydrophobicContact CB-CG 4.15Å; Q392-E395 PolarHBondContact N-OE2 3.45Å; Q392-E395 PolarHBondContact O-N 3.47Å; Q392-A420 WeakPolarHBondContact O-CB 3.41Å
393	K	87.1	Confident	87.6	Confident	132 Å²	132	84 Å²	84	57%	0.574	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	126.8	178	179.5	171.7	-176.1	176.9	0	110	D250 D421	D250-K393 IonicContact OD2-NZ 3.21Å; K393-D421 WeakPolarHBondContact CD-O 3.5Å; K393-D421 VanDerWaalsContact CE-O 3.29Å; K393-D421 WeakPolarHBondContact CE-O 3.45Å; K393-D421 WeakPolarHBondContact CG-O 3.5Å
394	G	83.1	Confident	87.2	Confident	41 Å²	41	76 Å²	76	42%	0.423	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-6.6	177	0	0	0	0	0	115.4	Q392 A420	Q392-G394 PolarHBondContact O-N 2.92Å; G394-A420 PolarHBondContact N-O 2.97Å
395	E	87.1	Confident	86.9	Confident	76 Å²	76	74.5 Å²	74.5	36%	0.355	39%	0.394	S	S	.	.			trans	-68.1	141.8	174	-71.3	178	169.4	0	0	111.3	L391 Q392 S419 A420	L391-E395 WeakPolarHBondContact CA-OE2 3.42Å; L391-E395 HydrophobicContact CB-CB 4.46Å; L391-E395 HydrophobicContact CD2-CB 4.48Å; L391-E395 WeakPolarHBondContact CD2-OE2 3.41Å; Q392-E395 HydrophobicContact CB-CG 4.15Å; Q392-E395 PolarHBondContact N-OE2 3.45Å; Q392-E395 PolarHBondContact O-N 3.47Å; E395-S419 CarbonylContact O-C 3.49Å; E395-S419 VanDerWaalsContact O-CA 3.22Å; E395-S419 WeakPolarHBondContact O-CA 3.37Å; E395-A420 PolarHBondContact O-N 3.35Å
396	I	88.6	Confident	86.1	Confident	21 Å²	21	80.6 Å²	80.6	11%	0.108	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-76.4	140.9	-178.3	-61.6	171.1	0	0	0	110	R319 E398 F414 Y417	R319-I396 HydrophobicContact CB-CG2 3.98Å; R319-I396 HydrophobicContact CG-CG2 3.98Å; I396-E398 PolarHBondContact O-N 3.27Å; I396-F414 HydrophobicContact CD1-CD1 3.74Å; I396-F414 HydrophobicContact CD1-CE1 3.67Å; I396-F414 HydrophobicContact CG1-CD1 4.13Å; I396-F414 HydrophobicContact CG1-CE1 4.27Å; I396-Y417 HydrophobicContact CD1-CD2 3.69Å; I396-Y417 HydrophobicContact CD1-CE2 4.3Å; I396-Y417 HydrophobicContact CD1-CG 3.99Å; I396-Y417 HydrophobicContact CG1-CG 4.48Å; I396-Y417 HydrophobicContact CG2-CD1 4.49Å; I396-Y417 HydrophobicContact CG2-CG 4.23Å
397	L	89	Confident	85.2	Confident	1 Å²	1	79 Å²	79	1%	0.005	42%	0.421	C	S	.	.			trans	-74.2	115.6	173.5	-80.1	76.1	0	0	0	110.2	T320 V418 S419 V486 R489 D490	T320-L397 PolarHBondContact N-O 3.25Å; T320-L397 PolarHBondContact OG1-O 2.84Å; L397-V418 HydrophobicContact CD1-CG1 4.08Å; L397-V418 WeakPolarHBondContact CD1-O 3.38Å; L397-V418 HydrophobicContact CD2-CG1 4.25Å; L397-V418 PolarHBondContact N-O 3.41Å; L397-S419 VanDerWaalsContact CD1-C 3.42Å; L397-V486 WeakPolarHBondContact CD2-O 3.45Å; L397-R489 HydrophobicContact CD2-CB 3.45Å; L397-R489 VanDerWaalsContact CD2-CB 3.45Å; L397-R489 HydrophobicContact CG-CB 4.25Å; L397-D490 HydrophobicContact CD2-CB 4.27Å
398	E	88.7	Confident	83.9	Confident	78 Å²	78	78.7 Å²	78.7	36%	0.364	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-113.2	147.1	178.4	-62.1	-175.2	168.5	0	0	112.1	N318 R319 I396 R489	N318-E398 VanDerWaalsContact ND2-CD 3.27Å; N318-E398 PolarHBondContact ND2-OE2 3.37Å; N318-E398 CarbonylContact O-C 3.57Å; N318-E398 VanDerWaalsContact O-CA 3.22Å; N318-E398 WeakPolarHBondContact O-CA 3.35Å; R319-E398 HydrophobicContact CG-CG 4.2Å; R319-E398 IonicContact NE-OE1 3.69Å; I396-E398 PolarHBondContact O-N 3.27Å; E398-R489 PolarHBondContact O-NH1 2.75Å; E398-R489 PolarHBondContact O-NH2 3.29Å
399	K	86.8	Confident	82.5	Confident	33 Å²	33	77.8 Å²	77.8	14%	0.143	42%	0.421	C	S	.	.			trans	-98.3	120.4	170.8	178.9	167.1	177	152.5	0	110.5	M315 N318 I371 E384 G401 L402 E484 V486	M315-K399 HydrophobicContact CE-CB 3.87Å; N318-K399 PolarHBondContact O-N 2.97Å; I371-K399 HydrophobicContact CD1-CD 3.81Å; E384-K399 IonicContact OE2-NZ 3.9Å; E384-K399 PolarHBondContact OE2-NZ 3.46Å; K399-G401 PolarHBondContact O-N 3.41Å; K399-L402 HydrophobicContact CB-CD1 4.26Å; K399-L402 HydrophobicContact CD-CD1 4.29Å; K399-L402 HydrophobicContact CD-CG 4.5Å; K399-L402 HydrophobicContact CG-CD1 4.48Å; K399-E484 WeakPolarHBondContact CD-OE1 3.5Å; K399-E484 WeakPolarHBondContact CE-OE1 3.41Å; K399-E484 IonicContact NZ-OE1 3.55Å; K399-E484 PolarHBondContact NZ-OE1 3.3Å; K399-E484 IonicContact NZ-OE2 2.72Å; K399-E484 PolarHBondContact NZ-OE2 3.05Å; K399-V486 HydrophobicContact CB-CG1 3.85Å
400	A	76.5	Confident	81.2	Confident	91 Å²	91	77.6 Å²	77.6	75%	0.752	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	130.4	169.1	0	0	0	0	0	109.9
401	G	74.1	Confident	79.6	Confident	82 Å²	82	81.5 Å²	81.5	85%	0.845	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.2	-10	177.7	0	0	0	0	0	115.8	K399	K399-G401 PolarHBondContact O-N 3.41Å
402	L	83.2	Confident	78.3	Confident	54 Å²	54	87.9 Å²	87.9	28%	0.283	48%	0.477	S	S	.	.	S	Bend	trans	-91.2	141.5	168.4	-68.1	175	0	0	0	110.5	M315 G317 K399	M315-L402 HydrophobicContact CB-CD1 4.24Å; M315-L402 HydrophobicContact CE-CD1 4.1Å; M315-L402 HydrophobicContact CG-CD1 4.19Å; G317-L402 WeakPolarHBondContact O-CD1 3.5Å; K399-L402 HydrophobicContact CB-CD1 4.26Å; K399-L402 HydrophobicContact CD-CD1 4.29Å; K399-L402 HydrophobicContact CD-CG 4.5Å; K399-L402 HydrophobicContact CG-CD1 4.48Å
403	R	78.2	Confident	77	Confident	246 Å²	246	82.3 Å²	82.3	93%	0.928	45%	0.452	S	S	*	.			trans	-75.9	126.5	176.9	-67	-175.5	179.3	-177.8	-0.5	109.9
404	S	82.9	Confident	76.2	Confident	41 Å²	41	79.8 Å²	79.8	29%	0.287	44%	0.441	S	S	.	.			trans	-132.2	151.1	170.9	50.3	0	0	0	0	110.6	N318 N366	N318-S404 PolarHBondContact ND2-OG 2.92Å; N318-S404 WeakPolarHBondContact OD1-CB 3.35Å; N318-S404 PolarHBondContact OD1-OG 3.05Å; N366-S404 WeakPolarHBondContact OD1-CA 3.48Å
405	V	82.9	Confident	75.7	Confident	77 Å²	77	81 Å²	81	47%	0.467	44%	0.44	S	S	.	.			trans	-104.8	125.4	167.8	-177.8	0	0	0	0	107.4	Y362 Q365 N366 A407	Y362-V405 WeakPolarHBondContact CE2-O 3.38Å; Q365-V405 HydrophobicContact CB-CB 4.48Å; N366-V405 PolarHBondContact ND2-O 3.43Å; N366-V405 VanDerWaalsContact ND2-O 3.09Å; N366-V405 PolarHBondContact OD1-N 3.46Å; V405-A407 PolarHBondContact O-N 2.72Å
406	D	75.8	Confident	75.5	Confident	140 Å²	140	78.1 Å²	78.1	75%	0.749	43%	0.427	S	S	*	.			trans	-71.2	121.9	179.3	-71.6	-31.8	0	0	0	110.4
407	A	74.8	Confident	75.4	Confident	21 Å²	21	77.4 Å²	77.4	17%	0.174	42%	0.423	C	S	.	.			trans	-142.5	153.7	176.6	0	0	0	0	0	110	D361 Y362 V405 S409	D361-A407 HydrophobicContact CB-CB 4.16Å; Y362-A407 HydrophobicContact CD2-CB 4.36Å; V405-A407 PolarHBondContact O-N 2.72Å; A407-S409 PolarHBondContact O-N 3.1Å
408	H	67.4	Low	75.4	Confident	174 Å²	174	77.5 Å²	77.5	81%	0.806	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-71.8	121.5	177	-81	-64.7	0	0	0	110.5
409	S	62.8	Low	75.3	Confident	20 Å²	20	76.7 Å²	76.7	14%	0.14	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-99.1	134.7	169.9	-65.3	0	0	0	0	110.4	R319 D360 Y362 A407	R319-S409 PolarHBondContact NH1-OG 3.34Å; D360-S409 PolarHBondContact OD1-OG 3.35Å; D360-S409 PolarHBondContact OD2-OG 2.67Å; Y362-S409 WeakPolarHBondContact CB-OG 3.34Å; A407-S409 PolarHBondContact O-N 3.1Å
410	P	62.9	Low	75.3	Confident	65 Å²	65	75.6 Å²	75.6	42%	0.422	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-65.2	148.5	174.4	25.2	-30.4	0	0	0	111.5	D360 E412 N413 F414	D360-P410 WeakPolarHBondContact OD1-CD 3.28Å; P410-E412 PolarHBondContact O-N 3.4Å; P410-E412 VanDerWaalsContact O-N 3.07Å; P410-N413 PolarHBondContact O-N 3.25Å; P410-N413 VanDerWaalsContact O-N 3.08Å; P410-F414 WeakPolarHBondContact O-CD2 3.43Å
411	L	60.6	Low	75.6	Confident	153 Å²	153	73.3 Å²	73.3	80%	0.801	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-56.8	-28.3	-174.1	-154.1	86.6	0	0	0	113.2	N413 F414	L411-N413 VanDerWaalsContact C-N 3.34Å; L411-N413 PolarHBondContact O-N 3.06Å; L411-F414 WeakPolarHBondContact O-CD2 3.49Å; L411-F414 PolarHBondContact O-N 3.36Å
412	E	60.5	Low	76.3	Confident	163 Å²	163	71.4 Å²	71.4	76%	0.762	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-68.2	-29.6	-179.5	-64.8	179.7	171.6	0	0	113.1	P410 F414	P410-E412 PolarHBondContact O-N 3.4Å; P410-E412 VanDerWaalsContact O-N 3.07Å; E412-F414 VanDerWaalsContact C-N 3.31Å; E412-F414 PolarHBondContact O-N 3.4Å
413	N	64.9	Low	76.6	Confident	19 Å²	19	71.6 Å²	71.6	10%	0.102	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-82.6	-7.9	-178.5	-72.1	-17.2	0	0	0	113.7	F348 D360 P410 L411 V415 N416 Y417	F348-N413 HydrophobicContact CD1-CB 4.14Å; F348-N413 HydrophobicContact CE1-CB 4.05Å; D360-N413 VanDerWaalsContact CB-ND2 3.33Å; D360-N413 WeakPolarHBondContact CB-ND2 3.37Å; D360-N413 PolarHBondContact OD2-ND2 3.49Å; P410-N413 PolarHBondContact O-N 3.25Å; P410-N413 VanDerWaalsContact O-N 3.08Å; L411-N413 VanDerWaalsContact C-N 3.34Å; L411-N413 PolarHBondContact O-N 3.06Å; N413-V415 PolarHBondContact O-N 3.4Å; N413-V415 VanDerWaalsContact O-N 3.13Å; N413-N416 PolarHBondContact O-N 2.89Å; N413-N416 VanDerWaalsContact O-N 3.16Å; N413-Y417 WeakPolarHBondContact O-CD2 3.11Å
414	F	69.9	Low	77.2	Confident	79 Å²	79	60.6 Å²	60.6	35%	0.346	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-61.1	-21.2	176.1	-78	-97.3	0	0	0	113.2	I396 P410 L411 E412 N416 Y417	I396-F414 HydrophobicContact CD1-CD1 3.74Å; I396-F414 HydrophobicContact CD1-CE1 3.67Å; I396-F414 HydrophobicContact CG1-CD1 4.13Å; I396-F414 HydrophobicContact CG1-CE1 4.27Å; P410-F414 WeakPolarHBondContact O-CD2 3.43Å; L411-F414 WeakPolarHBondContact O-CD2 3.49Å; L411-F414 PolarHBondContact O-N 3.36Å; E412-F414 VanDerWaalsContact C-N 3.31Å; E412-F414 PolarHBondContact O-N 3.4Å; F414-N416 VanDerWaalsContact C-N 3.28Å; F414-N416 PolarHBondContact O-N 3.33Å; F414-Y417 PolarHBondContact O-N 3.3Å
415	V	71.9	Confident	77.7	Confident	66 Å²	66	60.9 Å²	60.9	40%	0.4	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-68.2	-26.7	179.1	-176.6	0	0	0	0	112.7	H246 N413 Y417	H246-V415 WeakPolarHBondContact ND1-CG2 3.5Å; N413-V415 PolarHBondContact O-N 3.4Å; N413-V415 VanDerWaalsContact O-N 3.13Å; V415-Y417 VanDerWaalsContact C-N 3.32Å
416	N	82.4	Confident	78.1	Confident	17 Å²	17	60 Å²	60	9%	0.091	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-84.4	-10.5	-179.1	-65.2	-44.8	0	0	0	112.5	L321 V322 R347 F348 N413 F414	L321-N416 WeakPolarHBondContact CA-O 3.47Å; V322-N416 PolarHBondContact N-O 3.48Å; R347-N416 PolarHBondContact NH1-OD1 2.86Å; R347-N416 VanDerWaalsContact NH1-OD1 3.14Å; R347-N416 PolarHBondContact O-ND2 3.09Å; F348-N416 HydrophobicContact CE1-CB 4.19Å; F348-N416 HydrophobicContact CE2-CB 3.91Å; F348-N416 HydrophobicContact CZ-CB 3.46Å; F348-N416 VanDerWaalsContact CZ-CB 3.46Å; N413-N416 PolarHBondContact O-N 2.89Å; N413-N416 VanDerWaalsContact O-N 3.16Å; F414-N416 VanDerWaalsContact C-N 3.28Å; F414-N416 PolarHBondContact O-N 3.33Å
417	Y	87.8	Confident	78.9	Confident	6 Å²	6	56.1 Å²	56.1	2%	0.024	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-96.7	153.2	176.4	-59.5	-65.3	0	0	0	111.8	L316 R319 T320 L321 F348 Y362 I396 N413 F414 V415	L316-Y417 HydrophobicContact CD2-CE1 4.01Å; L316-Y417 VanDerWaalsContact CD2-OH 3.31Å; L316-Y417 WeakPolarHBondContact CD2-OH 3.26Å; R319-Y417 HydrophobicContact CB-CD1 3.81Å; R319-Y417 HydrophobicContact CB-CE1 3.79Å; T320-Y417 WeakPolarHBondContact O-CA 3.43Å; L321-Y417 HydrophobicContact CD2-CD1 3.66Å; L321-Y417 HydrophobicContact CD2-CE1 3.6Å; F348-Y417 HydrophobicContact CE1-CE1 4.46Å; F348-Y417 HydrophobicContact CE1-CE2 4.18Å; F348-Y417 AromaticContact CE1-CZ 3.79Å; F348-Y417 WeakPolarHBondContact CE1-OH 3.46Å; F348-Y417 HydrophobicContact CZ-CE1 4.28Å; Y362-Y417 WeakPolarHBondContact CD1-OH 3.41Å; I396-Y417 HydrophobicContact CD1-CD2 3.69Å; I396-Y417 HydrophobicContact CD1-CE2 4.3Å; I396-Y417 HydrophobicContact CD1-CG 3.99Å; I396-Y417 HydrophobicContact CG1-CG 4.48Å; I396-Y417 HydrophobicContact CG2-CD1 4.49Å; I396-Y417 HydrophobicContact CG2-CG 4.23Å; N413-Y417 WeakPolarHBondContact O-CD2 3.11Å; F414-Y417 PolarHBondContact O-N 3.3Å; V415-Y417 VanDerWaalsContact C-N 3.32Å
418	V	87.9	Confident	79.6	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.018	32%	0.317	C	S	.	.			trans	-82.3	124.7	168.8	-170.7	0	0	0	0	107.9	T320 V322 L397 D490 N494 A495	T320-V418 HydrophobicContact CG2-CB 4.39Å; T320-V418 HydrophobicContact CG2-CG2 3.95Å; T320-V418 PolarHBondContact O-N 3.23Å; V322-V418 HydrophobicContact CG2-CG2 3.98Å; L397-V418 HydrophobicContact CD1-CG1 4.08Å; L397-V418 WeakPolarHBondContact CD1-O 3.38Å; L397-V418 HydrophobicContact CD2-CG1 4.25Å; L397-V418 PolarHBondContact N-O 3.41Å; V418-D490 HydrophobicContact CG1-CB 4.16Å; V418-N494 HydrophobicContact CG2-CB 4.29Å; V418-A495 HydrophobicContact CG2-CB 4.39Å
419	S	87.6	Confident	80.9	Confident	61 Å²	61	49.3 Å²	49.3	43%	0.427	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-119.8	160.9	-179.7	60.7	0	0	0	0	112.5	E395 L397 D421	E395-S419 CarbonylContact O-C 3.49Å; E395-S419 VanDerWaalsContact O-CA 3.22Å; E395-S419 WeakPolarHBondContact O-CA 3.37Å; L397-S419 VanDerWaalsContact CD1-C 3.42Å; S419-D421 PolarHBondContact O-N 3.26Å
420	A	86.6	Confident	82.3	Confident	10 Å²	10	48.5 Å²	48.5	8%	0.083	27%	0.273	C	S	.	.			trans	-72.3	121.7	177.1	0	0	0	0	0	111.5	L391 Q392 G394 E395	L391-A420 HydrophobicContact CB-CB 3.89Å; L391-A420 HydrophobicContact CD1-CB 4.24Å; Q392-A420 WeakPolarHBondContact O-CB 3.41Å; G394-A420 PolarHBondContact N-O 2.97Å; E395-A420 PolarHBondContact O-N 3.35Å
421	D	82.6	Confident	83.6	Confident	43 Å²	43	45.5 Å²	45.5	23%	0.23	25%	0.254	C	S	.	.	S	Bend	trans	-67.2	-40.6	-176.2	-175.5	42.5	0	0	0	113.2	K393 S419 K491	K393-D421 WeakPolarHBondContact CD-O 3.5Å; K393-D421 VanDerWaalsContact CE-O 3.29Å; K393-D421 WeakPolarHBondContact CE-O 3.45Å; K393-D421 WeakPolarHBondContact CG-O 3.5Å; S419-D421 PolarHBondContact O-N 3.26Å; D421-K491 HydrophobicContact CB-CD 4.46Å; D421-K491 IonicContact OD2-NZ 3.7Å; D421-K491 PolarHBondContact OD2-NZ 2.99Å
422	I	87.9	Confident	85.1	Confident	41 Å²	41	38.2 Å²	38.2	21%	0.21	22%	0.216	C	C	.	.	S	Bend	trans	-137.6	151.8	-178.9	57.2	172.4	0	0	0	111.2	W149 T424 L428 D581	W149-I422 HydrophobicContact CH2-CD1 3.69Å; W149-I422 HydrophobicContact CH2-CG1 3.93Å; W149-I422 HydrophobicContact CZ2-CD1 4.25Å; W149-I422 HydrophobicContact CZ2-CG1 3.99Å; I422-T424 HydrophobicContact CG1-CG2 4.42Å; I422-T424 PolarHBondContact O-N 3.22Å; I422-L428 HydrophobicContact CD1-CD2 4.17Å; I422-D581 HydrophobicContact CD1-CB 4.26Å
423	A	89.8	Confident	86.7	Confident	59 Å²	59	30.6 Å²	30.6	49%	0.488	18%	0.18	S	C	.	.			trans	-67.4	128.3	171.1	0	0	0	0	0	109.5	L391 L428	L391-A423 WeakPolarHBondContact O-CA 3.48Å; A423-L428 VanDerWaalsContact O-CD2 3.3Å; A423-L428 WeakPolarHBondContact O-CD2 3.34Å
424	T	91.7	Very high	88.1	Confident	15 Å²	15	29.8 Å²	29.8	9%	0.092	18%	0.175	C	C	.	.			trans	-110.8	143.6	-173	51.2	0	0	0	0	112.2	W149 M153 L391 I422	W149-T424 HydrophobicContact CH2-CG2 3.54Å; W149-T424 HydrophobicContact CZ2-CG2 3.37Å; M153-T424 HydrophobicContact CE-CG2 3.8Å; M153-T424 WeakPolarHBondContact CE-OG1 3.45Å; M153-T424 HydrophobicContact CG-CG2 4.27Å; L391-T424 PolarHBondContact N-OG1 2.88Å; L391-T424 PolarHBondContact O-N 2.82Å; L391-T424 PolarHBondContact O-OG1 3.06Å; I422-T424 HydrophobicContact CG1-CG2 4.42Å; I422-T424 PolarHBondContact O-N 3.22Å
425	S	93.1	Very high	89.2	Confident	47 Å²	47	26.1 Å²	26.1	33%	0.329	16%	0.159	S	C	.	.			trans	-148.8	159.6	174.1	58.7	0	0	0	0	109.3	T427 L428 L429	S425-T427 VanDerWaalsContact C-N 3.26Å; S425-T427 PolarHBondContact O-N 3.41Å; S425-T427 PolarHBondContact OG-OG1 3.46Å; S425-L428 PolarHBondContact O-N 3.05Å; S425-L429 WeakPolarHBondContact O-CG 3.43Å; S425-L429 PolarHBondContact O-N 3.33Å; S425-L429 VanDerWaalsContact O-N 3.14Å
426	F	92.4	Very high	90.1	Very high	58 Å²	58	23 Å²	23	25%	0.254	14%	0.141	S	C	.	.	H	α-helix	trans	-53.8	-43.7	178.9	179.5	-95.3	0	0	0	112.4	Q158 L161 I162 Y390 L428 L429 V430	Q158-F426 HydrophobicContact CB-CD2 4.42Å; Q158-F426 HydrophobicContact CB-CE2 4.4Å; L161-F426 HydrophobicContact CD2-CE2 3.88Å; L161-F426 HydrophobicContact CD2-CZ 3.45Å; L161-F426 VanDerWaalsContact CD2-CZ 3.45Å; I162-F426 HydrophobicContact CD1-CD2 4.12Å; I162-F426 HydrophobicContact CD1-CE2 3.94Å; I162-F426 HydrophobicContact CG1-CD2 4.15Å; I162-F426 HydrophobicContact CG1-CE2 3.47Å; I162-F426 VanDerWaalsContact CG1-CE2 3.47Å; I162-F426 HydrophobicContact CG1-CZ 3.89Å; Y390-F426 WeakPolarHBondContact OH-CA 3.42Å; F426-L428 PolarHBondContact O-N 3.36Å; F426-L429 PolarHBondContact O-N 2.84Å; F426-V430 HydrophobicContact CD1-CG2 4.27Å; F426-V430 HydrophobicContact CE1-CG2 3.83Å; F426-V430 HydrophobicContact CZ-CG2 4.01Å; F426-V430 WeakPolarHBondContact O-CG2 3.41Å; F426-V430 PolarHBondContact O-N 3.48Å; F426-V430 VanDerWaalsContact O-N 3.11Å
427	T	91.5	Very high	90.6	Very high	59 Å²	59	22.5 Å²	22.5	36%	0.362	14%	0.139	S	C	.	.	H	α-helix	trans	-64.5	-40.9	-178.4	53.9	0	0	0	0	112.3	S425 V430 G431 I638	S425-T427 VanDerWaalsContact C-N 3.26Å; S425-T427 PolarHBondContact O-N 3.41Å; S425-T427 PolarHBondContact OG-OG1 3.46Å; T427-V430 PolarHBondContact O-N 3.02Å; T427-G431 PolarHBondContact O-N 3.16Å; T427-I638 WeakPolarHBondContact CB-O 3.34Å; T427-I638 HydrophobicContact CG2-CG2 3.73Å; T427-I638 WeakPolarHBondContact CG2-O 3.49Å
428	L	90.6	Very high	90.8	Very high	51 Å²	51	22.5 Å²	22.5	27%	0.267	14%	0.139	S	C	.	.	H	α-helix	trans	-64.7	-44.3	177.2	-175.1	71.9	0	0	0	111.1	I422 A423 S425 F426 V430 G431 I432	I422-L428 HydrophobicContact CD1-CD2 4.17Å; A423-L428 VanDerWaalsContact O-CD2 3.3Å; A423-L428 WeakPolarHBondContact O-CD2 3.34Å; S425-L428 PolarHBondContact O-N 3.05Å; F426-L428 PolarHBondContact O-N 3.36Å; L428-V430 VanDerWaalsContact C-N 3.32Å; L428-V430 PolarHBondContact O-N 3.16Å; L428-G431 PolarHBondContact O-N 3.42Å; L428-G431 VanDerWaalsContact O-N 3.12Å; L428-I432 HydrophobicContact CD2-CD1 4.43Å; L428-I432 HydrophobicContact CG-CD1 4Å; L428-I432 WeakPolarHBondContact O-CG1 3.49Å; L428-I432 PolarHBondContact O-N 2.98Å
429	L	93.1	Very high	90.8	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-34.7	-179.9	-64.1	-179.2	0	0	0	112.3	W149 I150 M153 A154 I162 Y390 S425 F426 G431 I432 F433	W149-L429 HydrophobicContact CE3-CD2 4.2Å; W149-L429 HydrophobicContact CH2-CD2 3.82Å; W149-L429 HydrophobicContact CZ3-CD2 3.49Å; W149-L429 VanDerWaalsContact CZ3-CD2 3.49Å; I150-L429 HydrophobicContact CG1-CD2 4.24Å; M153-L429 HydrophobicContact CB-CD1 4.19Å; A154-L429 HydrophobicContact CB-CD1 3.76Å; I162-L429 HydrophobicContact CD1-CB 3.94Å; Y390-L429 HydrophobicContact CE1-CD1 3.83Å; S425-L429 WeakPolarHBondContact O-CG 3.43Å; S425-L429 PolarHBondContact O-N 3.33Å; S425-L429 VanDerWaalsContact O-N 3.14Å; F426-L429 PolarHBondContact O-N 2.84Å; L429-G431 VanDerWaalsContact C-N 3.34Å; L429-I432 PolarHBondContact O-N 3.46Å; L429-F433 WeakPolarHBondContact O-CB 3.49Å; L429-F433 PolarHBondContact O-N 2.68Å
430	V	92.9	Very high	91.1	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.024	13%	0.126	C	C	.	.	H	α-helix	trans	-59.3	-46.2	170.6	171.9	0	0	0	0	110.8	I162 M165 F426 T427 L428 I432 F433 F434 L635	I162-V430 HydrophobicContact CD1-CG2 4.48Å; I162-V430 HydrophobicContact CG1-CG2 3.88Å; I162-V430 HydrophobicContact CG2-CG2 4.15Å; M165-V430 HydrophobicContact CE-CB 4.26Å; M165-V430 HydrophobicContact CE-CG1 3.63Å; M165-V430 HydrophobicContact CE-CG2 3.5Å; M165-V430 VanDerWaalsContact CE-CG2 3.5Å; F426-V430 HydrophobicContact CD1-CG2 4.27Å; F426-V430 HydrophobicContact CE1-CG2 3.83Å; F426-V430 HydrophobicContact CZ-CG2 4.01Å; F426-V430 WeakPolarHBondContact O-CG2 3.41Å; F426-V430 PolarHBondContact O-N 3.48Å; F426-V430 VanDerWaalsContact O-N 3.11Å; T427-V430 PolarHBondContact O-N 3.02Å; L428-V430 VanDerWaalsContact C-N 3.32Å; L428-V430 PolarHBondContact O-N 3.16Å; V430-I432 VanDerWaalsContact C-N 3.34Å; V430-I432 PolarHBondContact O-N 3.28Å; V430-F433 PolarHBondContact O-N 3.01Å; V430-F434 WeakPolarHBondContact O-CB 3.38Å; V430-F434 PolarHBondContact O-N 3.46Å; V430-L635 HydrophobicContact CG1-CD2 3.69Å
431	G	90.5	Very high	91.2	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-64.6	-34.1	178.8	0	0	0	0	0	114.1	T427 L428 L429 P435 S588	T427-G431 PolarHBondContact O-N 3.16Å; L428-G431 PolarHBondContact O-N 3.42Å; L428-G431 VanDerWaalsContact O-N 3.12Å; L429-G431 VanDerWaalsContact C-N 3.34Å; G431-P435 WeakPolarHBondContact O-CD 3.29Å; G431-S588 PolarHBondContact O-OG 3.45Å
432	I	92.4	Very high	91.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-76.1	-35.4	176.2	-65.7	170.2	0	0	0	111.5	W149 L428 L429 V430 P435 D581	W149-I432 HydrophobicContact CH2-CD1 4.49Å; W149-I432 HydrophobicContact CZ3-CD1 4.03Å; L428-I432 HydrophobicContact CD2-CD1 4.43Å; L428-I432 HydrophobicContact CG-CD1 4Å; L428-I432 WeakPolarHBondContact O-CG1 3.49Å; L428-I432 PolarHBondContact O-N 2.98Å; L429-I432 PolarHBondContact O-N 3.46Å; V430-I432 VanDerWaalsContact C-N 3.34Å; V430-I432 PolarHBondContact O-N 3.28Å; I432-P435 WeakPolarHBondContact O-CD 3.33Å; I432-D581 HydrophobicContact CD1-CB 4.15Å
433	F	94.4	Very high	90.9	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.009	10%	0.104	C	C	.	.	H	α-helix	trans	-78.2	-37.8	-179.4	-177.1	-99.5	0	0	0	113	I142 L147 I150 I162 V163 C166 L429 V430 P435 S436 Y472	I142-F433 HydrophobicContact CG2-CD2 4.34Å; L147-F433 HydrophobicContact CD1-CD2 4.31Å; L147-F433 HydrophobicContact CD1-CE2 3.96Å; I150-F433 HydrophobicContact CD1-CB 4.03Å; I150-F433 HydrophobicContact CD1-CD2 4.01Å; I150-F433 HydrophobicContact CD1-CG 4.5Å; I162-F433 HydrophobicContact CG2-CB 3.81Å; I162-F433 HydrophobicContact CG2-CD1 3.87Å; I162-F433 HydrophobicContact CG2-CG 3.95Å; V163-F433 HydrophobicContact CB-CE1 4.13Å; V163-F433 HydrophobicContact CB-CZ 4.12Å; V163-F433 HydrophobicContact CG1-CE1 4.25Å; V163-F433 HydrophobicContact CG1-CZ 4.02Å; V163-F433 HydrophobicContact CG2-CE1 3.89Å; V163-F433 HydrophobicContact CG2-CE2 3.92Å; V163-F433 HydrophobicContact CG2-CZ 3.55Å; C166-F433 HydrophobicContact CB-CD1 3.99Å; C166-F433 HydrophobicContact CB-CE1 3.99Å; L429-F433 WeakPolarHBondContact O-CB 3.49Å; L429-F433 PolarHBondContact O-N 2.68Å; V430-F433 PolarHBondContact O-N 3.01Å; F433-P435 VanDerWaalsContact C-N 3.33Å; F433-P435 WeakPolarHBondContact O-CD 3.45Å; F433-P435 VanDerWaalsContact O-N 3.12Å; F433-S436 WeakPolarHBondContact CE1-OG 3.43Å; F433-S436 WeakPolarHBondContact CE2-OG 3.5Å; F433-S436 WeakPolarHBondContact CZ-OG 3.45Å; F433-S436 VanDerWaalsContact O-CB 3.23Å; F433-S436 WeakPolarHBondContact O-CB 3.34Å; F433-S436 PolarHBondContact O-N 3.49Å; F433-S436 PolarHBondContact O-OG 3.01Å; F433-Y472 HydrophobicContact CE2-CD1 4.4Å; F433-Y472 HydrophobicContact CZ-CD1 4.41Å; F433-Y472 HydrophobicContact CZ-CD2 4.39Å; F433-Y472 HydrophobicContact CZ-CG 4.19Å
434	F	93.5	Very high	90.7	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.009	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-49.9	-38.6	-172.8	-174	-95	0	0	0	115.9	C166 V430 S436 A437 T438 F591 L592 Y595 L635	C166-F434 HydrophobicContact CB-CD2 4.16Å; V430-F434 WeakPolarHBondContact O-CB 3.38Å; V430-F434 PolarHBondContact O-N 3.46Å; F434-S436 PolarHBondContact O-N 3.09Å; F434-S436 VanDerWaalsContact O-N 3.07Å; F434-A437 PolarHBondContact O-N 2.86Å; F434-T438 HydrophobicContact CD1-CG2 3.98Å; F434-T438 HydrophobicContact CE1-CG2 3.74Å; F434-F591 HydrophobicContact CE1-CB 4.03Å; F434-L592 HydrophobicContact CD1-CG 4.19Å; F434-L592 HydrophobicContact CD2-CD2 4.25Å; F434-L592 HydrophobicContact CE1-CD1 4.44Å; F434-L592 HydrophobicContact CE1-CD2 3.93Å; F434-L592 HydrophobicContact CE1-CG 3.61Å; F434-L592 HydrophobicContact CE2-CD2 3.47Å; F434-L592 VanDerWaalsContact CE2-CD2 3.47Å; F434-L592 HydrophobicContact CE2-CG 4.05Å; F434-L592 HydrophobicContact CZ-CD2 3.28Å; F434-L592 HydrophobicContact CZ-CG 3.54Å; F434-Y595 HydrophobicContact CE1-CE2 4.44Å; F434-Y595 HydrophobicContact CZ-CD2 4.05Å; F434-Y595 HydrophobicContact CZ-CE2 4.01Å; F434-L635 HydrophobicContact CD2-CD1 4.31Å; F434-L635 HydrophobicContact CE2-CD1 4.12Å
435	P	92.2	Very high	90.3	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.013	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-53.4	-30.5	175.4	-28.5	38.6	0	0	0	113.9	M221 G431 I432 F433 A437 T438 A584 L587 S588	M221-P435 HydrophobicContact CE-CB 4.12Å; M221-P435 HydrophobicContact SD-CB 4Å; M221-P435 HydrophobicContact SD-CG 4.29Å; G431-P435 WeakPolarHBondContact O-CD 3.29Å; I432-P435 WeakPolarHBondContact O-CD 3.33Å; F433-P435 VanDerWaalsContact C-N 3.33Å; F433-P435 WeakPolarHBondContact O-CD 3.45Å; F433-P435 VanDerWaalsContact O-N 3.12Å; P435-A437 PolarHBondContact O-N 3.24Å; P435-T438 WeakPolarHBondContact O-CB 3.42Å; P435-T438 PolarHBondContact O-N 2.97Å; P435-T438 VanDerWaalsContact O-N 3.16Å; P435-T438 PolarHBondContact O-OG1 3.29Å; P435-A584 HydrophobicContact CG-CB 4.02Å; P435-L587 HydrophobicContact CB-CD2 3.61Å; P435-L587 HydrophobicContact CG-CD2 3.62Å; P435-S588 VanDerWaalsContact CD-OG 3.28Å; P435-S588 WeakPolarHBondContact CD-OG 3.4Å; P435-S588 WeakPolarHBondContact CG-OG 3.44Å
436	S	92	Very high	89.6	Confident	2 Å²	2	11.5 Å²	11.5	1%	0.014	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-68.5	-18.8	179.8	73.9	0	0	0	0	114.6	I138 F433 F434 Y472	I138-S436 VanDerWaalsContact CG2-O 3.3Å; I138-S436 WeakPolarHBondContact CG2-O 3.34Å; I138-S436 VanDerWaalsContact O-O 3.09Å; F433-S436 WeakPolarHBondContact CE1-OG 3.43Å; F433-S436 WeakPolarHBondContact CE2-OG 3.5Å; F433-S436 WeakPolarHBondContact CZ-OG 3.45Å; F433-S436 VanDerWaalsContact O-CB 3.23Å; F433-S436 WeakPolarHBondContact O-CB 3.34Å; F433-S436 PolarHBondContact O-N 3.49Å; F433-S436 PolarHBondContact O-OG 3.01Å; F434-S436 PolarHBondContact O-N 3.09Å; F434-S436 VanDerWaalsContact O-N 3.07Å; S436-Y472 WeakPolarHBondContact O-CE2 3.48Å; S436-Y472 PolarHBondContact O-OH 3.44Å
437	A	92.1	Very high	89.1	Confident	5 Å²	5	9 Å²	9	4%	0.041	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-98.6	-5.4	175.7	0	0	0	0	0	112.4	C166 T170 F434 P435	C166-A437 HydrophobicContact CB-CB 4.28Å; T170-A437 HydrophobicContact CG2-CB 3.96Å; T170-A437 WeakPolarHBondContact CG2-O 3.39Å; F434-A437 PolarHBondContact O-N 2.86Å; P435-A437 PolarHBondContact O-N 3.24Å
438	T	92.3	Very high	88.4	Confident	6 Å²	6	6.9 Å²	6.9	4%	0.037	5%	0.046	C	C	.	.			trans	-76	175.8	178.6	71	0	0	0	0	112	I138 F434 P435 F591	I138-T438 WeakPolarHBondContact CA-O 3.36Å; I138-T438 WeakPolarHBondContact CG1-O 3.38Å; F434-T438 HydrophobicContact CD1-CG2 3.98Å; F434-T438 HydrophobicContact CE1-CG2 3.74Å; P435-T438 WeakPolarHBondContact O-CB 3.42Å; P435-T438 PolarHBondContact O-N 2.97Å; P435-T438 VanDerWaalsContact O-N 3.16Å; P435-T438 PolarHBondContact O-OG1 3.29Å; T438-F591 HydrophobicContact CG2-CB 3.92Å; T438-F591 HydrophobicContact CG2-CD1 4.45Å; T438-F591 HydrophobicContact CG2-CD2 3.93Å; T438-F591 HydrophobicContact CG2-CG 3.85Å
439	G	88.6	Confident	87.8	Confident	14 Å²	14	7.6 Å²	7.6	14%	0.144	5%	0.05	C	C	.	.			trans	95.8	5	178.8	0	0	0	0	0	115.3	M441 A442	G439-M441 PolarHBondContact O-N 3.38Å; G439-M441 VanDerWaalsContact O-N 3.16Å; G439-A442 WeakPolarHBondContact O-CB 3.45Å; G439-A442 PolarHBondContact O-N 3.32Å
440	I	93.1	Very high	87.4	Confident	2 Å²	2	8 Å²	8	1%	0.01	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-61.2	-26.2	-179.4	67.6	174.9	0	0	0	113.8	T173 M177 A442 G443 T461 I465 Y595	T173-I440 HydrophobicContact CG2-CD1 3.91Å; M177-I440 WeakPolarHBondContact CE-O 3.48Å; I440-A442 PolarHBondContact O-N 3.44Å; I440-G443 PolarHBondContact O-N 3.38Å; I440-T461 HydrophobicContact CB-CG2 4.42Å; I440-I465 HydrophobicContact CB-CD1 4.14Å; I440-I465 HydrophobicContact CG2-CD1 3.56Å; I440-I465 HydrophobicContact CG2-CG1 3.81Å; I440-Y595 HydrophobicContact CD1-CE1 4.08Å; I440-Y595 HydrophobicContact CG1-CE1 4.09Å
441	M	88.6	Confident	86.8	Confident	4 Å²	4	18 Å²	18	2%	0.02	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-72.1	-13.6	179	-67	-173	171.7	0	0	113.1	A191 I195 F211 G439 G443 S444 N445 C594 Y595 V598	A191-M441 HydrophobicContact CB-CB 4.36Å; I195-M441 HydrophobicContact CD1-CE 4.22Å; F211-M441 HydrophobicContact CD1-SD 4.33Å; F211-M441 HydrophobicContact CD2-SD 3.8Å; F211-M441 HydrophobicContact CE1-SD 4.37Å; F211-M441 HydrophobicContact CE2-CB 4.08Å; F211-M441 HydrophobicContact CE2-CG 4.4Å; F211-M441 HydrophobicContact CE2-SD 3.79Å; F211-M441 HydrophobicContact CG-SD 4.1Å; F211-M441 HydrophobicContact CZ-CB 3.88Å; F211-M441 HydrophobicContact CZ-SD 4.11Å; G439-M441 PolarHBondContact O-N 3.38Å; G439-M441 VanDerWaalsContact O-N 3.16Å; M441-G443 PolarHBondContact O-N 3.26Å; M441-S444 PolarHBondContact O-N 3.03Å; M441-S444 VanDerWaalsContact O-N 3.09Å; M441-S444 PolarHBondContact O-OG 3.32Å; M441-N445 PolarHBondContact O-N 3.43Å; M441-N445 PolarHBondContact O-OD1 3.18Å; M441-C594 WeakPolarHBondContact CE-SG 3.37Å; M441-Y595 HydrophobicContact CE-CD1 4.2Å; M441-Y595 HydrophobicContact CE-CE1 4.15Å; M441-V598 HydrophobicContact CE-CG2 3.99Å
442	A	83.5	Confident	86.6	Confident	5 Å²	5	21.2 Å²	21.2	4%	0.041	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-59.4	-28.7	175.1	0	0	0	0	0	113.5	N137 G439 I440 S444 N445	N137-A442 HydrophobicContact CB-CB 3.78Å; N137-A442 WeakPolarHBondContact ND2-CB 3.32Å; G439-A442 WeakPolarHBondContact O-CB 3.45Å; G439-A442 PolarHBondContact O-N 3.32Å; I440-A442 PolarHBondContact O-N 3.44Å; A442-S444 VanDerWaalsContact C-N 3.26Å; A442-S444 PolarHBondContact O-N 3.28Å; A442-N445 WeakPolarHBondContact CA-ND2 3.26Å; A442-N445 PolarHBondContact O-N 3.01Å
443	G	80.3	Confident	86.3	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-64.1	-29.5	176.3	0	0	0	0	0	113.7	I440 M441	I440-G443 PolarHBondContact O-N 3.38Å; M441-G443 PolarHBondContact O-N 3.26Å
444	S	85.4	Confident	86	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.007	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-93.8	-6.3	178.8	55.8	0	0	0	0	113.9	G190 A191 M441 A442 R446 S447	G190-S444 CarbonylContact C-O 3.6Å; G190-S444 VanDerWaalsContact CA-O 3.3Å; G190-S444 WeakPolarHBondContact CA-O 3.39Å; A191-S444 VanDerWaalsContact CB-OG 3.25Å; A191-S444 WeakPolarHBondContact CB-OG 3.33Å; M441-S444 PolarHBondContact O-N 3.03Å; M441-S444 VanDerWaalsContact O-N 3.09Å; M441-S444 PolarHBondContact O-OG 3.32Å; A442-S444 VanDerWaalsContact C-N 3.26Å; A442-S444 PolarHBondContact O-N 3.28Å; S444-R446 PolarHBondContact O-N 2.92Å; S444-R446 VanDerWaalsContact O-N 3.09Å; S444-S447 PolarHBondContact O-N 3.22Å
445	N	84.3	Confident	85.8	Confident	19 Å²	19	31.1 Å²	31.1	10%	0.102	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-4.1	-176.2	-75.9	-15.3	0	0	0	114.1	T99 Q100 A191 M441 A442	T99-N445 HydrophobicContact CG2-CB 3.98Å; T99-N445 WeakPolarHBondContact CG2-ND2 3.14Å; Q100-N445 VanDerWaalsContact CB-O 3.23Å; Q100-N445 WeakPolarHBondContact CB-O 3.33Å; Q100-N445 WeakPolarHBondContact CG-O 3.45Å; Q100-N445 PolarHBondContact N-O 2.93Å; A191-N445 WeakPolarHBondContact CB-OD1 3.18Å; M441-N445 PolarHBondContact O-N 3.43Å; M441-N445 PolarHBondContact O-OD1 3.18Å; A442-N445 WeakPolarHBondContact CA-ND2 3.26Å; A442-N445 PolarHBondContact O-N 3.01Å
446	R	78.5	Confident	85.8	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.015	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	38.6	173.5	-59.9	-154.9	-155.9	104.7	44.2	113.7	T96 N97 Q100 P133 S444 G448 D449 L450	T96-R446 VanDerWaalsContact C-CZ 3.49Å; T96-R446 PolarHBondContact O-NE 3.39Å; T96-R446 PolarHBondContact O-NH1 2.98Å; T96-R446 PolarHBondContact O-NH2 3.16Å; T96-R446 PolarHBondContact OG1-NE 3.42Å; N97-R446 VanDerWaalsContact C-NH2 3.28Å; N97-R446 PolarHBondContact O-NH2 3.12Å; Q100-R446 HydrophobicContact CG-CG 4.43Å; P133-R446 VanDerWaalsContact CB-NH2 3.31Å; S444-R446 PolarHBondContact O-N 2.92Å; S444-R446 VanDerWaalsContact O-N 3.09Å; R446-G448 PolarHBondContact O-N 3.28Å; R446-G448 VanDerWaalsContact O-N 3.14Å; R446-D449 PolarHBondContact O-N 2.93Å; R446-L450 WeakPolarHBondContact O-CG 2.97Å
447	S	81.4	Confident	85.8	Confident	5 Å²	5	31.3 Å²	31.3	4%	0.035	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-55	-31.9	-176.4	53.6	0	0	0	0	113.9	P187 G190 S444	P187-S447 WeakPolarHBondContact O-CB 3.47Å; P187-S447 PolarHBondContact O-OG 3.18Å; G190-S447 PolarHBondContact N-OG 3.49Å; G190-S447 VanDerWaalsContact N-OG 3.15Å; S444-S447 PolarHBondContact O-N 3.22Å
448	G	75.7	Confident	86	Confident	15 Å²	15	31.3 Å²	31.3	16%	0.155	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-78.5	-25.1	-178.9	0	0	0	0	0	116.1	R446	R446-G448 PolarHBondContact O-N 3.28Å; R446-G448 VanDerWaalsContact O-N 3.14Å
449	D	79.6	Confident	86	Confident	65 Å²	65	34.8 Å²	34.8	35%	0.348	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-88.7	-5	-176.7	-67.6	-33.1	0	0	0	113.3	Q100 M124 R446	Q100-D449 PolarHBondContact NE2-OD1 3.47Å; Q100-D449 PolarHBondContact NE2-OD2 3.09Å; M124-D449 PolarHBondContact N-O 3.06Å; R446-D449 PolarHBondContact O-N 2.93Å
450	L	83.3	Confident	86.3	Confident	10 Å²	10	34.2 Å²	34.2	5%	0.052	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-84.8	136.8	-175.2	-66.9	171.5	0	0	0	111.5	M124 V130 R446 D452 A453 I457	M124-L450 HydrophobicContact CB-CD2 4.39Å; V130-L450 HydrophobicContact CG2-CD1 3.65Å; V130-L450 HydrophobicContact CG2-CD2 3.8Å; V130-L450 HydrophobicContact CG2-CG 4.4Å; R446-L450 WeakPolarHBondContact O-CG 2.97Å; L450-D452 VanDerWaalsContact C-N 3.31Å; L450-D452 PolarHBondContact O-N 3.36Å; L450-A453 HydrophobicContact CB-CB 4.22Å; L450-A453 HydrophobicContact CD1-CB 4.16Å; L450-I457 HydrophobicContact CD1-CD1 4.35Å; L450-I457 HydrophobicContact CD1-CG1 3.86Å
451	R	81.5	Confident	86.4	Confident	212 Å²	212	34.1 Å²	34.1	80%	0.8	17%	0.168	S	C	*	.	S	Bend	trans	-61.9	-38.2	173.9	-176.7	178.9	176.9	-179.3	1.3	112.8	M124	M124-R451 PolarHBondContact O-N 3.15Å; M124-R451 VanDerWaalsContact O-N 3.16Å
452	D	85.4	Confident	86.7	Confident	70 Å²	70	36 Å²	36	37%	0.374	18%	0.178	S	C	.	.			trans	-144	89.3	176	178.8	-3	0	0	0	109.3	L450 Q454 K455 S456	L450-D452 VanDerWaalsContact C-N 3.31Å; L450-D452 PolarHBondContact O-N 3.36Å; D452-Q454 VanDerWaalsContact C-N 3.32Å; D452-Q454 PolarHBondContact O-N 3.29Å; D452-Q454 PolarHBondContact OD1-N 3.38Å; D452-K455 PolarHBondContact O-N 3.07Å; D452-K455 PolarHBondContact OD1-N 3.17Å; D452-K455 VanDerWaalsContact OD1-N 3.14Å; D452-K455 WeakPolarHBondContact OD2-CB 3.27Å; D452-S456 WeakPolarHBondContact O-CB 3.5Å; D452-S456 PolarHBondContact O-N 3.45Å; D452-S456 PolarHBondContact O-OG 3.42Å; D452-S456 VanDerWaalsContact O-OG 3.13Å
453	A	86.6	Confident	87.3	Confident	14 Å²	14	40.1 Å²	40.1	12%	0.116	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-37	-178.2	0	0	0	0	0	112.8	V186 L450 K455 I457	V186-A453 HydrophobicContact CB-CB 4.02Å; V186-A453 HydrophobicContact CG1-CB 4.02Å; V186-A453 HydrophobicContact CG2-CB 4.24Å; L450-A453 HydrophobicContact CB-CB 4.22Å; L450-A453 HydrophobicContact CD1-CB 4.16Å; A453-K455 VanDerWaalsContact C-N 3.32Å; A453-K455 PolarHBondContact O-N 3.47Å; A453-I457 HydrophobicContact CB-CD1 4.07Å; A453-I457 WeakPolarHBondContact O-CB 3.28Å; A453-I457 VanDerWaalsContact O-CG1 3.26Å; A453-I457 WeakPolarHBondContact O-CG1 3.42Å; A453-I457 PolarHBondContact O-N 3.46Å
454	Q	88.7	Confident	88	Confident	56 Å²	56	40.1 Å²	40.1	26%	0.262	20%	0.198	S	C	.	.	H	α-helix	trans	-65.3	-35.2	-176.5	-68.9	178	-1.9	0	0	112.2	G184 V186 D452 P458	G184-Q454 PolarHBondContact O-NE2 3.24Å; V186-Q454 HydrophobicContact CG2-CG 3.73Å; D452-Q454 VanDerWaalsContact C-N 3.32Å; D452-Q454 PolarHBondContact O-N 3.29Å; D452-Q454 PolarHBondContact OD1-N 3.38Å; Q454-P458 WeakPolarHBondContact O-CD 3.23Å; Q454-P458 VanDerWaalsContact O-CG 3.32Å; Q454-P458 WeakPolarHBondContact O-CG 3.01Å
455	K	89.6	Confident	88.5	Confident	143 Å²	143	40.1 Å²	40.1	62%	0.622	20%	0.199	S	C	*	.	H	α-helix	trans	-88.4	-41.2	175.5	-172.9	179.1	178.3	-179.3	0	112.7	D452 A453 V459	D452-K455 PolarHBondContact O-N 3.07Å; D452-K455 PolarHBondContact OD1-N 3.17Å; D452-K455 VanDerWaalsContact OD1-N 3.14Å; D452-K455 WeakPolarHBondContact OD2-CB 3.27Å; A453-K455 VanDerWaalsContact C-N 3.32Å; A453-K455 PolarHBondContact O-N 3.47Å; K455-V459 WeakPolarHBondContact O-CG2 3.33Å; K455-V459 PolarHBondContact O-N 3.39Å
456	S	91.6	Very high	89	Confident	7 Å²	7	41.9 Å²	41.9	5%	0.049	21%	0.21	C	C	.	.	H	α-helix	trans	-70	-39.1	-174.1	-71.9	0	0	0	0	113.2	T126 D452 G460	T126-S456 WeakPolarHBondContact CG2-O 3.5Å; T126-S456 WeakPolarHBondContact OG1-CB 3.32Å; T126-S456 PolarHBondContact OG1-OG 2.85Å; D452-S456 WeakPolarHBondContact O-CB 3.5Å; D452-S456 PolarHBondContact O-N 3.45Å; D452-S456 PolarHBondContact O-OG 3.42Å; D452-S456 VanDerWaalsContact O-OG 3.13Å; S456-G460 PolarHBondContact O-N 3.31Å
457	I	92.7	Very high	89.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-51.8	-177.4	-65.3	168.6	0	0	0	111.6	V130 M177 A181 V186 M194 L450 A453 T461	V130-I457 HydrophobicContact CG2-CG1 4.42Å; M177-I457 HydrophobicContact SD-CG2 3.85Å; A181-I457 HydrophobicContact CB-CB 4.17Å; A181-I457 HydrophobicContact CB-CD1 4.32Å; A181-I457 HydrophobicContact CB-CG2 3.91Å; V186-I457 HydrophobicContact CG1-CD1 4.34Å; M194-I457 HydrophobicContact SD-CD1 4.24Å; L450-I457 HydrophobicContact CD1-CD1 4.35Å; L450-I457 HydrophobicContact CD1-CG1 3.86Å; A453-I457 HydrophobicContact CB-CD1 4.07Å; A453-I457 WeakPolarHBondContact O-CB 3.28Å; A453-I457 VanDerWaalsContact O-CG1 3.26Å; A453-I457 WeakPolarHBondContact O-CG1 3.42Å; A453-I457 PolarHBondContact O-N 3.46Å; I457-T461 VanDerWaalsContact O-CB 3.27Å; I457-T461 WeakPolarHBondContact O-CB 3.49Å; I457-T461 PolarHBondContact O-N 2.84Å; I457-T461 PolarHBondContact O-OG1 2.98Å
458	P	94.5	Very high	90.5	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.032	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-48.3	178.6	-26.4	36.4	0	0	0	113.3	S178 T182 Q454 I462 F617	S178-P458 WeakPolarHBondContact OG-CA 3.26Å; T182-P458 HydrophobicContact CG2-CG 4.13Å; Q454-P458 WeakPolarHBondContact O-CD 3.23Å; Q454-P458 VanDerWaalsContact O-CG 3.32Å; Q454-P458 WeakPolarHBondContact O-CG 3.01Å; P458-I462 WeakPolarHBondContact O-CB 3.38Å; P458-I462 VanDerWaalsContact O-CG1 3.32Å; P458-I462 WeakPolarHBondContact O-CG1 3.45Å; P458-I462 PolarHBondContact O-N 2.9Å; P458-I462 VanDerWaalsContact O-N 3.12Å; P458-F617 HydrophobicContact CB-CD2 4.4Å; P458-F617 HydrophobicContact CB-CE2 4Å
459	V	93.9	Very high	91.4	Very high	80 Å²	80	43.5 Å²	43.5	49%	0.485	22%	0.218	S	C	.	.	H	α-helix	trans	-66.4	-46.9	-175.7	175.9	0	0	0	0	110.8	T126 K455 L463	T126-V459 HydrophobicContact CG2-CB 4.22Å; T126-V459 HydrophobicContact CG2-CG1 4.18Å; K455-V459 WeakPolarHBondContact O-CG2 3.33Å; K455-V459 PolarHBondContact O-N 3.39Å; V459-L463 WeakPolarHBondContact O-CB 3.34Å; V459-L463 PolarHBondContact O-N 3.45Å; V459-L463 VanDerWaalsContact O-N 3.16Å
460	G	94.3	Very high	92.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-40.8	-178.2	0	0	0	0	0	112.8	S456 A464	S456-G460 PolarHBondContact O-N 3.31Å; G460-A464 WeakPolarHBondContact O-CB 3.3Å; G460-A464 PolarHBondContact O-N 3.27Å
461	T	94.9	Very high	92.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.8	-47.9	-177.6	-51.7	0	0	0	0	111.8	A174 M177 I440 I457 L463 A464 I465	A174-T461 HydrophobicContact CB-CG2 4.2Å; M177-T461 HydrophobicContact CE-CG2 3.78Å; I440-T461 HydrophobicContact CB-CG2 4.42Å; I457-T461 VanDerWaalsContact O-CB 3.27Å; I457-T461 WeakPolarHBondContact O-CB 3.49Å; I457-T461 PolarHBondContact O-N 2.84Å; I457-T461 PolarHBondContact O-OG1 2.98Å; T461-L463 VanDerWaalsContact C-N 3.32Å; T461-L463 PolarHBondContact O-N 3.02Å; T461-A464 PolarHBondContact O-N 3.4Å; T461-I465 HydrophobicContact CG2-CD1 4.07Å; T461-I465 WeakPolarHBondContact O-CG1 3.47Å; T461-I465 PolarHBondContact O-N 3.28Å
462	I	95.7	Very high	93.5	Very high	45 Å²	45	36 Å²	36	23%	0.231	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-40.9	179.6	-67.3	171.3	0	0	0	110.6	M171 P458 I465 T466 F617	M171-I462 HydrophobicContact SD-CG2 4.1Å; P458-I462 WeakPolarHBondContact O-CB 3.38Å; P458-I462 VanDerWaalsContact O-CG1 3.32Å; P458-I462 WeakPolarHBondContact O-CG1 3.45Å; P458-I462 PolarHBondContact O-N 2.9Å; P458-I462 VanDerWaalsContact O-N 3.12Å; I462-I465 PolarHBondContact O-N 3.46Å; I462-T466 WeakPolarHBondContact O-CB 3.36Å; I462-T466 PolarHBondContact O-N 3.39Å; I462-T466 PolarHBondContact O-OG1 3Å; I462-F617 HydrophobicContact CD1-CZ 3.95Å
463	L	95.4	Very high	94	Very high	90 Å²	90	35 Å²	35	47%	0.471	19%	0.188	S	C	.	.	H	α-helix	trans	-63.7	-43.1	176.8	-170.4	69.2	0	0	0	111.5	Y131 V459 T461 T466 T467	Y131-L463 HydrophobicContact CD2-CB 4.05Å; Y131-L463 HydrophobicContact CD2-CD2 3.89Å; Y131-L463 HydrophobicContact CD2-CG 3.98Å; Y131-L463 HydrophobicContact CE2-CB 4.22Å; Y131-L463 HydrophobicContact CE2-CD2 3.91Å; Y131-L463 HydrophobicContact CE2-CG 3.76Å; V459-L463 WeakPolarHBondContact O-CB 3.34Å; V459-L463 PolarHBondContact O-N 3.45Å; V459-L463 VanDerWaalsContact O-N 3.16Å; T461-L463 VanDerWaalsContact C-N 3.32Å; T461-L463 PolarHBondContact O-N 3.02Å; L463-T466 PolarHBondContact O-N 3.37Å; L463-T467 PolarHBondContact O-N 3.45Å; L463-T467 PolarHBondContact O-OG1 3.49Å; L463-T467 VanDerWaalsContact O-OG1 3.07Å
464	A	94.8	Very high	94.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-42.5	178.2	0	0	0	0	0	112.8	Y131 C134 G460 T461 T466 T467 T468	Y131-A464 HydrophobicContact CD2-CB 3.83Å; Y131-A464 HydrophobicContact CE2-CB 4.13Å; C134-A464 HydrophobicContact CB-CB 3.7Å; G460-A464 WeakPolarHBondContact O-CB 3.3Å; G460-A464 PolarHBondContact O-N 3.27Å; T461-A464 PolarHBondContact O-N 3.4Å; A464-T466 VanDerWaalsContact C-N 3.32Å; A464-T466 PolarHBondContact O-N 2.93Å; A464-T467 PolarHBondContact O-N 3.43Å; A464-T468 WeakPolarHBondContact O-CB 3.44Å; A464-T468 VanDerWaalsContact O-CG2 3.29Å; A464-T468 WeakPolarHBondContact O-CG2 3.5Å; A464-T468 PolarHBondContact O-N 2.86Å; A464-T468 PolarHBondContact O-OG1 2.99Å
465	I	95.8	Very high	94.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-64.6	-40	175.6	-64.1	168.1	0	0	0	110.5	I138 M171 A174 I440 T461 I462 T468 S469	I138-I465 HydrophobicContact CD1-CG1 4.24Å; M171-I465 HydrophobicContact CB-CG2 4.44Å; M171-I465 HydrophobicContact CE-CB 4.09Å; M171-I465 HydrophobicContact CE-CG2 3.65Å; M171-I465 HydrophobicContact SD-CG2 4.36Å; A174-I465 HydrophobicContact CB-CD1 3.31Å; I440-I465 HydrophobicContact CB-CD1 4.14Å; I440-I465 HydrophobicContact CG2-CD1 3.56Å; I440-I465 HydrophobicContact CG2-CG1 3.81Å; T461-I465 HydrophobicContact CG2-CD1 4.07Å; T461-I465 WeakPolarHBondContact O-CG1 3.47Å; T461-I465 PolarHBondContact O-N 3.28Å; I462-I465 PolarHBondContact O-N 3.46Å; I465-T468 WeakPolarHBondContact CA-OG1 3.25Å; I465-T468 PolarHBondContact O-OG1 2.85Å; I465-S469 WeakPolarHBondContact O-CB 3.46Å; I465-S469 PolarHBondContact O-N 3.22Å; I465-S469 PolarHBondContact O-OG 3.02Å
466	T	95.7	Very high	95	Very high	56 Å²	56	26.9 Å²	26.9	34%	0.344	16%	0.155	S	C	.	.	H	α-helix	trans	-63.4	-47.6	177.3	-53.9	0	0	0	0	110.9	I462 L463 A464 T468 S469 L470	I462-T466 WeakPolarHBondContact O-CB 3.36Å; I462-T466 PolarHBondContact O-N 3.39Å; I462-T466 PolarHBondContact O-OG1 3Å; L463-T466 PolarHBondContact O-N 3.37Å; A464-T466 VanDerWaalsContact C-N 3.32Å; A464-T466 PolarHBondContact O-N 2.93Å; T466-T468 PolarHBondContact O-N 3.44Å; T466-S469 PolarHBondContact O-N 3Å; T466-L470 HydrophobicContact CG2-CD1 4.26Å; T466-L470 WeakPolarHBondContact O-CB 3.14Å; T466-L470 VanDerWaalsContact O-CG 3.3Å; T466-L470 WeakPolarHBondContact O-CG 3.43Å; T466-L470 PolarHBondContact O-N 3.34Å
467	T	95.3	Very high	95.2	Very high	40 Å²	40	29.3 Å²	29.3	25%	0.245	17%	0.169	C	C	.	.	H	α-helix	trans	-59.7	-48.3	177.4	-57.5	0	0	0	0	111.9	Y131 L135 L463 A464 L470 V471	Y131-T467 PolarHBondContact OH-OG1 3.5Å; Y131-T467 VanDerWaalsContact OH-OG1 3.07Å; L135-T467 HydrophobicContact CD1-CG2 4.07Å; L463-T467 PolarHBondContact O-N 3.45Å; L463-T467 PolarHBondContact O-OG1 3.49Å; L463-T467 VanDerWaalsContact O-OG1 3.07Å; A464-T467 PolarHBondContact O-N 3.43Å; T467-L470 PolarHBondContact O-N 2.96Å; T467-V471 WeakPolarHBondContact O-CG2 3.35Å; T467-V471 PolarHBondContact O-N 3.23Å
468	T	95.1	Very high	95.3	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-41.3	-178.2	50.8	0	0	0	0	111.8	L135 I138 F139 A464 I465 T466 L470 V471 Y472	L135-T468 HydrophobicContact CG-CG2 4.47Å; I138-T468 HydrophobicContact CB-CG2 3.92Å; I138-T468 HydrophobicContact CD1-CG2 4.13Å; I138-T468 HydrophobicContact CG2-CG2 3.63Å; F139-T468 HydrophobicContact CD1-CG2 4.37Å; F139-T468 HydrophobicContact CD2-CG2 4.44Å; F139-T468 HydrophobicContact CE1-CG2 3.89Å; F139-T468 HydrophobicContact CE2-CG2 3.99Å; F139-T468 HydrophobicContact CZ-CG2 3.68Å; A464-T468 WeakPolarHBondContact O-CB 3.44Å; A464-T468 VanDerWaalsContact O-CG2 3.29Å; A464-T468 WeakPolarHBondContact O-CG2 3.5Å; A464-T468 PolarHBondContact O-N 2.86Å; A464-T468 PolarHBondContact O-OG1 2.99Å; I465-T468 WeakPolarHBondContact CA-OG1 3.25Å; I465-T468 PolarHBondContact O-OG1 2.85Å; T466-T468 PolarHBondContact O-N 3.44Å; T468-L470 VanDerWaalsContact C-N 3.34Å; T468-L470 PolarHBondContact O-N 3.03Å; T468-V471 PolarHBondContact O-N 3.46Å; T468-Y472 WeakPolarHBondContact O-CD2 3.33Å; T468-Y472 PolarHBondContact O-N 2.94Å
469	S	95.6	Very high	95.3	Very high	15 Å²	15	30.7 Å²	30.7	11%	0.105	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-42.6	175	-58.2	0	0	0	0	111.9	C167 I465 T466 V471 Y472 L473	C167-S469 WeakPolarHBondContact CB-OG 3.27Å; C167-S469 PolarHBondContact SG-OG 3.36Å; I465-S469 WeakPolarHBondContact O-CB 3.46Å; I465-S469 PolarHBondContact O-N 3.22Å; I465-S469 PolarHBondContact O-OG 3.02Å; T466-S469 PolarHBondContact O-N 3Å; S469-V471 VanDerWaalsContact C-N 3.35Å; S469-Y472 PolarHBondContact O-N 3.02Å; S469-L473 WeakPolarHBondContact O-CB 3.16Å; S469-L473 VanDerWaalsContact O-CG 3.26Å; S469-L473 WeakPolarHBondContact O-CG 3.24Å; S469-L473 PolarHBondContact O-N 3.35Å
470	L	95.8	Very high	95.3	Very high	109 Å²	109	26.9 Å²	26.9	57%	0.571	15%	0.153	S	C	*	.	H	α-helix	trans	-60.9	-45	175	-74.3	172.6	0	0	0	111.1	T466 T467 T468 Y472 L473 S474	T466-L470 HydrophobicContact CG2-CD1 4.26Å; T466-L470 WeakPolarHBondContact O-CB 3.14Å; T466-L470 VanDerWaalsContact O-CG 3.3Å; T466-L470 WeakPolarHBondContact O-CG 3.43Å; T466-L470 PolarHBondContact O-N 3.34Å; T467-L470 PolarHBondContact O-N 2.96Å; T468-L470 VanDerWaalsContact C-N 3.34Å; T468-L470 PolarHBondContact O-N 3.03Å; L470-Y472 PolarHBondContact O-N 3.44Å; L470-L473 PolarHBondContact O-N 3.48Å; L470-S474 WeakPolarHBondContact O-CB 3.5Å; L470-S474 PolarHBondContact O-N 3.43Å; L470-S474 PolarHBondContact O-OG 3.19Å
471	V	95.8	Very high	95.2	Very high	19 Å²	19	27.2 Å²	27.2	12%	0.115	16%	0.155	C	C	.	.	H	α-helix	trans	-62.2	-41.3	178	170.8	0	0	0	0	112.1	F139 I294 T467 T468 S469 S474 S475	F139-V471 HydrophobicContact CE1-CB 4.19Å; F139-V471 HydrophobicContact CE1-CG1 3.93Å; F139-V471 HydrophobicContact CZ-CB 4.14Å; F139-V471 HydrophobicContact CZ-CG1 4.12Å; F139-V471 HydrophobicContact CZ-CG2 4.17Å; I294-V471 HydrophobicContact CG2-CG1 4.23Å; T467-V471 WeakPolarHBondContact O-CG2 3.35Å; T467-V471 PolarHBondContact O-N 3.23Å; T468-V471 PolarHBondContact O-N 3.46Å; S469-V471 VanDerWaalsContact C-N 3.35Å; V471-S474 PolarHBondContact O-OG 3.45Å; V471-S474 VanDerWaalsContact O-OG 3.05Å; V471-S475 WeakPolarHBondContact O-CB 3.3Å; V471-S475 PolarHBondContact O-N 2.92Å; V471-S475 PolarHBondContact O-OG 3.27Å
472	Y	95.9	Very high	95.1	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-67.4	-46.1	177.2	-71	-53.7	0	0	0	112.2	I138 L143 L147 F433 S436 T468 S469 L470 S475 V476	I138-Y472 HydrophobicContact CG2-CE2 4.28Å; I138-Y472 PolarHBondContact O-OH 3.4Å; L143-Y472 HydrophobicContact CB-CE1 3.98Å; L143-Y472 HydrophobicContact CD1-CD1 3.82Å; L143-Y472 HydrophobicContact CD1-CE1 3.69Å; L143-Y472 HydrophobicContact CG-CE1 4.28Å; L147-Y472 HydrophobicContact CD2-CD1 4.14Å; F433-Y472 HydrophobicContact CE2-CD1 4.4Å; F433-Y472 HydrophobicContact CZ-CD1 4.41Å; F433-Y472 HydrophobicContact CZ-CD2 4.39Å; F433-Y472 HydrophobicContact CZ-CG 4.19Å; S436-Y472 WeakPolarHBondContact O-CE2 3.48Å; S436-Y472 PolarHBondContact O-OH 3.44Å; T468-Y472 WeakPolarHBondContact O-CD2 3.33Å; T468-Y472 PolarHBondContact O-N 2.94Å; S469-Y472 PolarHBondContact O-N 3.02Å; L470-Y472 PolarHBondContact O-N 3.44Å; Y472-S475 PolarHBondContact O-N 2.99Å; Y472-V476 WeakPolarHBondContact O-CG2 3.24Å; Y472-V476 PolarHBondContact O-N 3.21Å
473	L	95.7	Very high	95.1	Very high	50 Å²	50	25 Å²	25	26%	0.262	14%	0.144	S	C	.	.	H	α-helix	trans	-63.6	-44.6	-179.6	-70.9	170.6	0	0	0	112	L160 V163 S469 L470 V477	L160-L473 HydrophobicContact CD2-CB 4.47Å; L160-L473 HydrophobicContact CD2-CD2 3.73Å; V163-L473 HydrophobicContact CB-CD2 3.98Å; V163-L473 HydrophobicContact CG1-CD2 3.69Å; V163-L473 HydrophobicContact CG1-CG 3.94Å; S469-L473 WeakPolarHBondContact O-CB 3.16Å; S469-L473 VanDerWaalsContact O-CG 3.26Å; S469-L473 WeakPolarHBondContact O-CG 3.24Å; S469-L473 PolarHBondContact O-N 3.35Å; L470-L473 PolarHBondContact O-N 3.48Å; L473-V477 PolarHBondContact O-N 2.93Å
474	S	96	Very high	95	Very high	39 Å²	39	21.3 Å²	21.3	27%	0.273	12%	0.124	S	C	.	.	H	α-helix	trans	-66.5	-39.9	175.9	55.1	0	0	0	0	111.9	Y298 L470 V471 V476 V477 L478	Y298-S474 PolarHBondContact OH-OG 2.73Å; L470-S474 WeakPolarHBondContact O-CB 3.5Å; L470-S474 PolarHBondContact O-N 3.43Å; L470-S474 PolarHBondContact O-OG 3.19Å; V471-S474 PolarHBondContact O-OG 3.45Å; V471-S474 VanDerWaalsContact O-OG 3.05Å; S474-V476 VanDerWaalsContact C-N 3.34Å; S474-V476 PolarHBondContact O-N 3.46Å; S474-V477 PolarHBondContact O-N 3.41Å; S474-L478 WeakPolarHBondContact O-CB 3.27Å; S474-L478 VanDerWaalsContact O-CG 3.3Å; S474-L478 WeakPolarHBondContact O-CG 3.43Å; S474-L478 PolarHBondContact O-N 3.17Å
475	S	94.5	Very high	94.8	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-38.5	178.7	-61.3	0	0	0	0	112.2	V471 Y472 V477 L478 F479	V471-S475 WeakPolarHBondContact O-CB 3.3Å; V471-S475 PolarHBondContact O-N 2.92Å; V471-S475 PolarHBondContact O-OG 3.27Å; Y472-S475 PolarHBondContact O-N 2.99Å; S475-V477 VanDerWaalsContact C-N 3.34Å; S475-V477 PolarHBondContact O-N 3.49Å; S475-L478 PolarHBondContact O-N 3.48Å; S475-F479 WeakPolarHBondContact O-CB 3.09Å; S475-F479 WeakPolarHBondContact O-CD2 3.45Å; S475-F479 WeakPolarHBondContact O-CG 3.4Å; S475-F479 PolarHBondContact O-N 3.16Å
476	V	96.4	Very high	94.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.4	-47.1	174.7	164.8	0	0	0	0	111.4	L147 V151 I156 L160 V163 Y472 S474 G480	L147-V476 HydrophobicContact CD1-CG2 3.95Å; V151-V476 HydrophobicContact CG2-CB 4.15Å; V151-V476 HydrophobicContact CG2-CG1 4Å; V151-V476 HydrophobicContact CG2-CG2 3.92Å; I156-V476 HydrophobicContact CG2-CG1 4.38Å; L160-V476 HydrophobicContact CD2-CB 4.17Å; L160-V476 HydrophobicContact CD2-CG1 3.87Å; L160-V476 HydrophobicContact CG-CG1 3.83Å; V163-V476 HydrophobicContact CG2-CG2 3.93Å; Y472-V476 WeakPolarHBondContact O-CG2 3.24Å; Y472-V476 PolarHBondContact O-N 3.21Å; S474-V476 VanDerWaalsContact C-N 3.34Å; S474-V476 PolarHBondContact O-N 3.46Å; V476-G480 PolarHBondContact O-N 3.38Å
477	V	95.3	Very high	94.5	Very high	57 Å²	57	18.8 Å²	18.8	35%	0.345	11%	0.11	S	C	.	.	H	α-helix	trans	-67	-43.1	178.7	179.3	0	0	0	0	111	L160 L473 S474 S475 S481	L160-V477 HydrophobicContact CD1-CG2 4.32Å; L160-V477 HydrophobicContact CD2-CG2 4.17Å; L473-V477 PolarHBondContact O-N 2.93Å; S474-V477 PolarHBondContact O-N 3.41Å; S475-V477 VanDerWaalsContact C-N 3.34Å; S475-V477 PolarHBondContact O-N 3.49Å; V477-S481 VanDerWaalsContact O-CB 3.28Å; V477-S481 WeakPolarHBondContact O-CB 3.26Å; V477-S481 PolarHBondContact O-N 3.09Å; V477-S481 PolarHBondContact O-OG 3.45Å
478	L	94.6	Very high	94.4	Very high	34 Å²	34	16.9 Å²	16.9	18%	0.178	10%	0.098	C	C	.	.	H	α-helix	trans	-65.5	-41.5	-179.6	-70.6	175.3	0	0	0	112.5	Y298 A301 S474 S475 S481 C482	Y298-L478 HydrophobicContact CD1-CD1 3.52Å; Y298-L478 HydrophobicContact CE1-CD1 3.45Å; Y298-L478 VanDerWaalsContact CE1-CD1 3.45Å; A301-L478 HydrophobicContact CB-CD1 4.27Å; A301-L478 HydrophobicContact CB-CD2 4.22Å; S474-L478 WeakPolarHBondContact O-CB 3.27Å; S474-L478 VanDerWaalsContact O-CG 3.3Å; S474-L478 WeakPolarHBondContact O-CG 3.43Å; S474-L478 PolarHBondContact O-N 3.17Å; S475-L478 PolarHBondContact O-N 3.48Å; L478-S481 WeakPolarHBondContact CA-OG 3.32Å; L478-S481 PolarHBondContact O-N 3.33Å; L478-S481 PolarHBondContact O-OG 3.47Å; L478-C482 VanDerWaalsContact O-CB 3.3Å; L478-C482 WeakPolarHBondContact O-CB 3.39Å; L478-C482 PolarHBondContact O-N 3.28Å; L478-C482 VanDerWaalsContact O-N 3.08Å; L478-C482 PolarHBondContact O-SG 3.07Å; L478-C482 VanDerWaalsContact O-SG 3.34Å
479	F	94.9	Very high	94.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.1	-46.3	178.3	-64	-24.3	0	0	0	111.8	L147 T148 I297 S475 S481 C482 I483 L488 V502 L505	L147-F479 HydrophobicContact CB-CE2 4.18Å; L147-F479 HydrophobicContact CD2-CD2 4.38Å; L147-F479 HydrophobicContact CD2-CE2 3.82Å; L147-F479 HydrophobicContact CG-CD2 4.17Å; L147-F479 HydrophobicContact CG-CE2 3.92Å; T148-F479 HydrophobicContact CG2-CD1 4.29Å; T148-F479 HydrophobicContact CG2-CD2 3.66Å; T148-F479 HydrophobicContact CG2-CE1 4.44Å; T148-F479 HydrophobicContact CG2-CE2 3.8Å; T148-F479 HydrophobicContact CG2-CG 3.92Å; T148-F479 HydrophobicContact CG2-CZ 4.21Å; I297-F479 HydrophobicContact CG2-CE1 3.81Å; I297-F479 HydrophobicContact CG2-CZ 4.26Å; S475-F479 WeakPolarHBondContact O-CB 3.09Å; S475-F479 WeakPolarHBondContact O-CD2 3.45Å; S475-F479 WeakPolarHBondContact O-CG 3.4Å; S475-F479 PolarHBondContact O-N 3.16Å; F479-S481 PolarHBondContact O-N 3.38Å; F479-C482 PolarHBondContact O-N 3.48Å; F479-I483 HydrophobicContact CD1-CD1 4.36Å; F479-I483 PolarHBondContact O-N 3.02Å; F479-I483 VanDerWaalsContact O-N 3.15Å; F479-L488 HydrophobicContact CB-CD2 4.3Å; F479-V502 HydrophobicContact CE1-CB 4.42Å; F479-V502 HydrophobicContact CE1-CG2 3.73Å; F479-V502 HydrophobicContact CZ-CB 4.25Å; F479-V502 HydrophobicContact CZ-CG2 3.61Å; F479-L505 HydrophobicContact CD1-CD2 3.91Å; F479-L505 HydrophobicContact CE1-CD2 4.08Å
480	G	93.7	Very high	94	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.6	-20.5	178.7	0	0	0	0	0	114.4	N385 V476	N385-G480 WeakPolarHBondContact CB-O 3.2Å; N385-G480 PolarHBondContact ND2-O 3.31Å; V476-G480 PolarHBondContact O-N 3.38Å
481	S	93.1	Very high	93.5	Very high	8 Å²	8	13.4 Å²	13.4	6%	0.056	8%	0.075	C	C	.	.	H	α-helix	trans	-98.1	-14.7	179.9	58.7	0	0	0	0	114.9	L377 I381 V477 L478 F479	L377-S481 WeakPolarHBondContact CD1-OG 3.26Å; I381-S481 WeakPolarHBondContact CG2-O 3.45Å; V477-S481 VanDerWaalsContact O-CB 3.28Å; V477-S481 WeakPolarHBondContact O-CB 3.26Å; V477-S481 PolarHBondContact O-N 3.09Å; V477-S481 PolarHBondContact O-OG 3.45Å; L478-S481 WeakPolarHBondContact CA-OG 3.32Å; L478-S481 PolarHBondContact O-N 3.33Å; L478-S481 PolarHBondContact O-OG 3.47Å; F479-S481 PolarHBondContact O-N 3.38Å
482	C	93.2	Very high	93.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-107.9	-31.1	-179.2	-67.7	0	0	0	0	113.9	I374 P375 G376 L478 F479 L505	I374-C482 WeakPolarHBondContact CG2-O 3.15Å; P375-C482 WeakPolarHBondContact CD-O 3.44Å; G376-C482 PolarHBondContact N-O 2.79Å; L478-C482 VanDerWaalsContact O-CB 3.3Å; L478-C482 WeakPolarHBondContact O-CB 3.39Å; L478-C482 PolarHBondContact O-N 3.28Å; L478-C482 VanDerWaalsContact O-N 3.08Å; L478-C482 PolarHBondContact O-SG 3.07Å; L478-C482 VanDerWaalsContact O-SG 3.34Å; F479-C482 PolarHBondContact O-N 3.48Å; C482-L505 HydrophobicContact CB-CD1 3.91Å; C482-L505 HydrophobicContact CB-CD2 4.42Å
483	I	93.6	Very high	92.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-109.2	140.3	-168.2	-52.3	174.9	0	0	0	110.3	N385 F479 V487 L488 V501 L505	N385-I483 PolarHBondContact ND2-O 3.42Å; F479-I483 HydrophobicContact CD1-CD1 4.36Å; F479-I483 PolarHBondContact O-N 3.02Å; F479-I483 VanDerWaalsContact O-N 3.15Å; I483-V487 HydrophobicContact CG2-CB 3.95Å; I483-V487 HydrophobicContact CG2-CG1 4.05Å; I483-L488 HydrophobicContact CB-CD1 4.33Å; I483-L488 HydrophobicContact CB-CD2 3.81Å; I483-L488 HydrophobicContact CB-CG 3.9Å; I483-L488 HydrophobicContact CD1-CD2 3.93Å; I483-L488 HydrophobicContact CG1-CD2 4.42Å; I483-L488 HydrophobicContact CG2-CD2 3.84Å; I483-L488 HydrophobicContact CG2-CG 3.78Å; I483-V501 HydrophobicContact CD1-CG1 4.1Å; I483-V501 HydrophobicContact CG2-CG1 4.27Å; I483-L505 HydrophobicContact CD1-CB 4.49Å; I483-L505 HydrophobicContact CD1-CD2 4.27Å
484	E	93.4	Very high	92.4	Very high	12 Å²	12	13.1 Å²	13.1	6%	0.056	7%	0.072	C	C	.	.			trans	-64.8	139.6	176.2	-178.2	62.5	-128.5	0	0	112.2	I313 I371 G373 I381 K399 V486 V487 L488	I313-E484 HydrophobicContact CD1-CG 4.3Å; I371-E484 HydrophobicContact CD1-CG 4.46Å; G373-E484 VanDerWaalsContact O-CB 3.25Å; G373-E484 WeakPolarHBondContact O-CB 3.44Å; G373-E484 PolarHBondContact O-N 3.32Å; I381-E484 WeakPolarHBondContact CD1-OE2 3.24Å; K399-E484 WeakPolarHBondContact CD-OE1 3.5Å; K399-E484 WeakPolarHBondContact CE-OE1 3.41Å; K399-E484 IonicContact NZ-OE1 3.55Å; K399-E484 PolarHBondContact NZ-OE1 3.3Å; K399-E484 IonicContact NZ-OE2 2.72Å; K399-E484 PolarHBondContact NZ-OE2 3.05Å; E484-V486 HydrophobicContact CG-CG2 3.75Å; E484-V486 PolarHBondContact O-N 3.38Å; E484-V487 HydrophobicContact CB-CG2 4.21Å; E484-V487 WeakPolarHBondContact O-CB 3.23Å; E484-V487 PolarHBondContact O-N 3.44Å; E484-L488 PolarHBondContact O-N 3.27Å; E484-L488 VanDerWaalsContact O-N 3.08Å
485	G	91.7	Very high	92	Very high	5 Å²	5	11.2 Å²	11.2	5%	0.052	6%	0.059	C	C	.	.	H	α-helix	trans	-63.6	-32.4	-170.4	0	0	0	0	0	115	N385 V487 R489	N385-G485 WeakPolarHBondContact OD1-CA 3.38Å; G485-V487 VanDerWaalsContact C-N 3.32Å; G485-R489 VanDerWaalsContact O-CG 3.31Å; G485-R489 WeakPolarHBondContact O-CG 2.98Å; G485-R489 PolarHBondContact O-N 3.34Å; G485-R489 VanDerWaalsContact O-N 3.17Å; G485-R489 PolarHBondContact O-NE 3.42Å
486	V	91.9	Very high	91.8	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.3	-31.5	173.1	-71.8	0	0	0	0	112.5	I313 M315 T320 L397 K399 E484 D490	I313-V486 HydrophobicContact CD1-CG2 3.38Å; M315-V486 HydrophobicContact CE-CG1 4.48Å; T320-V486 WeakPolarHBondContact OG1-CG1 3.42Å; L397-V486 WeakPolarHBondContact CD2-O 3.45Å; K399-V486 HydrophobicContact CB-CG1 3.85Å; E484-V486 HydrophobicContact CG-CG2 3.75Å; E484-V486 PolarHBondContact O-N 3.38Å; V486-D490 PolarHBondContact O-N 3.1Å
487	V	93.4	Very high	91.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-76.5	-37.4	177.6	-175.8	0	0	0	0	110.5	I313 I483 E484 G485 R489 D490 V496 V501 I504	I313-V487 HydrophobicContact CD1-CG2 3.87Å; I313-V487 HydrophobicContact CG2-CG2 3.93Å; I483-V487 HydrophobicContact CG2-CB 3.95Å; I483-V487 HydrophobicContact CG2-CG1 4.05Å; E484-V487 HydrophobicContact CB-CG2 4.21Å; E484-V487 WeakPolarHBondContact O-CB 3.23Å; E484-V487 PolarHBondContact O-N 3.44Å; G485-V487 VanDerWaalsContact C-N 3.32Å; V487-R489 VanDerWaalsContact C-N 3.32Å; V487-R489 PolarHBondContact O-N 3.3Å; V487-D490 PolarHBondContact O-N 3.48Å; V487-V496 HydrophobicContact CG1-CG1 3.86Å; V487-V496 HydrophobicContact CG1-CG2 4.43Å; V487-V496 HydrophobicContact CG2-CG1 4.23Å; V487-V501 HydrophobicContact CG1-CG1 4Å; V487-V501 HydrophobicContact CG1-CG2 4.18Å; V487-I504 HydrophobicContact CG1-CD1 4.07Å
488	L	93.1	Very high	90.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.1	-38.5	175	-71.8	173.6	0	0	0	112.3	T148 W149 V151 F479 I483 E484 D490 V501	T148-L488 HydrophobicContact CG2-CD2 4.37Å; W149-L488 VanDerWaalsContact CA-O 3.3Å; W149-L488 WeakPolarHBondContact CA-O 3.2Å; V151-L488 HydrophobicContact CG1-CD1 4.38Å; F479-L488 HydrophobicContact CB-CD2 4.3Å; I483-L488 HydrophobicContact CB-CD1 4.33Å; I483-L488 HydrophobicContact CB-CD2 3.81Å; I483-L488 HydrophobicContact CB-CG 3.9Å; I483-L488 HydrophobicContact CD1-CD2 3.93Å; I483-L488 HydrophobicContact CG1-CD2 4.42Å; I483-L488 HydrophobicContact CG2-CD2 3.84Å; I483-L488 HydrophobicContact CG2-CG 3.78Å; E484-L488 PolarHBondContact O-N 3.27Å; E484-L488 VanDerWaalsContact O-N 3.08Å; L488-D490 VanDerWaalsContact C-N 3.28Å; L488-D490 PolarHBondContact O-N 3.37Å; L488-V501 HydrophobicContact CD2-CG1 4.4Å
489	R	92.3	Very high	90.5	Very high	27 Å²	27	16.1 Å²	16.1	10%	0.102	8%	0.077	C	C	.	.	H	α-helix	trans	-74.5	-17	-179.9	-71.2	176.9	-72.4	165.7	-3	113.4	W149 G152 M153 L397 E398 G485 V487 K491	W149-R489 VanDerWaalsContact CD1-O 3.29Å; W149-R489 PolarHBondContact NE1-O 3.36Å; G152-R489 VanDerWaalsContact O-CG 3.26Å; G152-R489 WeakPolarHBondContact O-CG 3.33Å; M153-R489 HydrophobicContact SD-CB 4Å; M153-R489 HydrophobicContact SD-CG 3.73Å; L397-R489 HydrophobicContact CD2-CB 3.45Å; L397-R489 VanDerWaalsContact CD2-CB 3.45Å; L397-R489 HydrophobicContact CG-CB 4.25Å; E398-R489 PolarHBondContact O-NH1 2.75Å; E398-R489 PolarHBondContact O-NH2 3.29Å; G485-R489 VanDerWaalsContact O-CG 3.31Å; G485-R489 WeakPolarHBondContact O-CG 2.98Å; G485-R489 PolarHBondContact O-N 3.34Å; G485-R489 VanDerWaalsContact O-N 3.17Å; G485-R489 PolarHBondContact O-NE 3.42Å; V487-R489 VanDerWaalsContact C-N 3.32Å; V487-R489 PolarHBondContact O-N 3.3Å; R489-K491 PolarHBondContact O-N 3.23Å
490	D	89.8	Confident	90.3	Very high	7 Å²	7	16.4 Å²	16.4	4%	0.037	8%	0.079	C	C	.	.			trans	-82.9	104.9	175.8	-178.1	-3.5	0	0	0	111	L397 V418 V486 V487 L488 F492 G493 N494 A495	L397-D490 HydrophobicContact CD2-CB 4.27Å; V418-D490 HydrophobicContact CG1-CB 4.16Å; V486-D490 PolarHBondContact O-N 3.1Å; V487-D490 PolarHBondContact O-N 3.48Å; L488-D490 VanDerWaalsContact C-N 3.28Å; L488-D490 PolarHBondContact O-N 3.37Å; D490-F492 PolarHBondContact O-N 2.85Å; D490-F492 PolarHBondContact OD1-N 3.22Å; D490-F492 VanDerWaalsContact OD1-N 3.12Å; D490-G493 PolarHBondContact OD1-N 3.23Å; D490-G493 VanDerWaalsContact OD2-C 3.25Å; D490-G493 WeakPolarHBondContact OD2-CA 3.41Å; D490-N494 PolarHBondContact OD1-N 2.99Å; D490-N494 WeakPolarHBondContact OD2-CA 3.48Å; D490-N494 PolarHBondContact OD2-N 3.23Å; D490-A495 PolarHBondContact OD2-N 3.33Å
491	K	85.6	Confident	90.2	Very high	19 Å²	19	16.6 Å²	16.6	8%	0.083	8%	0.08	C	C	.	.	S	Bend	trans	-61.3	-39.1	-178	178.4	-179.2	166.2	-170.8	0	113.5	W149 D421 R489 D581	W149-K491 HydrophobicContact CG-CB 4.3Å; D421-K491 HydrophobicContact CB-CD 4.46Å; D421-K491 IonicContact OD2-NZ 3.7Å; D421-K491 PolarHBondContact OD2-NZ 2.99Å; R489-K491 PolarHBondContact O-N 3.23Å; K491-D581 WeakPolarHBondContact CE-OD2 3.45Å; K491-D581 IonicContact NZ-OD2 2.79Å; K491-D581 PolarHBondContact NZ-OD2 3.48Å
492	F	87.4	Confident	90.1	Very high	27 Å²	27	16.2 Å²	16.2	12%	0.118	8%	0.077	C	C	.	.	S	Bend	trans	-101	-11.6	-172.4	-62.4	-62.9	0	0	0	113.3	Y233 D490	Y233-F492 PolarHBondContact OH-O 2.86Å; D490-F492 PolarHBondContact O-N 2.85Å; D490-F492 PolarHBondContact OD1-N 3.22Å; D490-F492 VanDerWaalsContact OD1-N 3.12Å
493	G	87.8	Confident	90	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.			trans	79.8	26.4	-180	0	0	0	0	0	113.6	D490 A495 V496 Q498	D490-G493 PolarHBondContact OD1-N 3.23Å; D490-G493 VanDerWaalsContact OD2-C 3.25Å; D490-G493 WeakPolarHBondContact OD2-CA 3.41Å; G493-A495 PolarHBondContact O-N 2.91Å; G493-V496 CarbonylContact O-C 3.47Å; G493-V496 WeakPolarHBondContact O-CG2 3.3Å; G493-V496 PolarHBondContact O-N 3.45Å; G493-Q498 WeakPolarHBondContact O-CA 3.46Å; G493-Q498 PolarHBondContact O-N 2.99Å
494	N	88.4	Confident	89.9	Confident	37 Å²	37	16.3 Å²	16.3	20%	0.198	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-57.7	-31	175.6	-68.4	-31.6	0	0	0	113	V322 R323 V418 D490 V496	V322-N494 HydrophobicContact CG1-CB 4.31Å; V322-N494 HydrophobicContact CG2-CB 4.47Å; R323-N494 PolarHBondContact N-O 3.34Å; V418-N494 HydrophobicContact CG2-CB 4.29Å; D490-N494 PolarHBondContact OD1-N 2.99Å; D490-N494 WeakPolarHBondContact OD2-CA 3.48Å; D490-N494 PolarHBondContact OD2-N 3.23Å; N494-V496 VanDerWaalsContact C-N 3.28Å; N494-V496 PolarHBondContact O-N 2.68Å
495	A	88.3	Confident	89.8	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-68.6	-25	175	0	0	0	0	0	113	I313 T320 R323 V418 D490 G493	I313-A495 HydrophobicContact CG2-CB 4.29Å; I313-A495 WeakPolarHBondContact CG2-O 3.43Å; T320-A495 HydrophobicContact CG2-CB 3.92Å; R323-A495 VanDerWaalsContact CB-O 3.28Å; R323-A495 WeakPolarHBondContact CB-O 3.44Å; V418-A495 HydrophobicContact CG2-CB 4.39Å; D490-A495 PolarHBondContact OD2-N 3.33Å; G493-A495 PolarHBondContact O-N 2.91Å
496	V	89.7	Confident	89.9	Confident	5 Å²	5	16.2 Å²	16.2	3%	0.03	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-118.1	40.5	-172.9	-69.3	0	0	0	0	112.4	I313 V487 G493 N494 Q498 N499 I504	I313-V496 HydrophobicContact CG2-CG1 3.63Å; V487-V496 HydrophobicContact CG1-CG1 3.86Å; V487-V496 HydrophobicContact CG1-CG2 4.43Å; V487-V496 HydrophobicContact CG2-CG1 4.23Å; G493-V496 CarbonylContact O-C 3.47Å; G493-V496 WeakPolarHBondContact O-CG2 3.3Å; G493-V496 PolarHBondContact O-N 3.45Å; N494-V496 VanDerWaalsContact C-N 3.28Å; N494-V496 PolarHBondContact O-N 2.68Å; V496-Q498 PolarHBondContact O-N 2.9Å; V496-N499 HydrophobicContact CG2-CB 4.45Å; V496-N499 WeakPolarHBondContact O-CB 3.44Å; V496-N499 PolarHBondContact O-N 2.9Å; V496-N499 PolarHBondContact O-ND2 2.93Å; V496-I504 HydrophobicContact CG1-CD1 4.28Å; V496-I504 HydrophobicContact CG2-CD1 4.49Å
497	K	85.6	Confident	89.9	Confident	103 Å²	103	22.2 Å²	22.2	45%	0.448	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	43.9	-179.3	-60.6	-170.9	175.8	-163.7	0	113.3	R323 N499	R323-K497 HydrophobicContact CB-CG 4.14Å; R323-K497 HydrophobicContact CG-CD 4.45Å; R323-K497 HydrophobicContact CG-CG 3.53Å; K497-N499 PolarHBondContact O-N 3.29Å; K497-N499 VanDerWaalsContact O-N 3.1Å
498	Q	84.6	Confident	89.8	Confident	39 Å²	39	26.3 Å²	26.3	18%	0.182	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	25.8	-179.4	-61.1	179.2	1.8	0	0	113.9	Y233 D324 G493 V496	Y233-Q498 WeakPolarHBondContact CD1-O 3.26Å; Y233-Q498 WeakPolarHBondContact CE1-O 3.46Å; D324-Q498 PolarHBondContact OD2-NE2 3.46Å; D324-Q498 VanDerWaalsContact OD2-NE2 3.09Å; G493-Q498 WeakPolarHBondContact O-CA 3.46Å; G493-Q498 PolarHBondContact O-N 2.99Å; V496-Q498 PolarHBondContact O-N 2.9Å
499	N	89.6	Confident	89.7	Confident	49 Å²	49	28.3 Å²	28.3	26%	0.262	14%	0.141	S	C	.	.			trans	-80.9	146.5	169.6	-70.5	-68.6	0	0	0	110.6	V496 K497 V501 I504	V496-N499 HydrophobicContact CG2-CB 4.45Å; V496-N499 WeakPolarHBondContact O-CB 3.44Å; V496-N499 PolarHBondContact O-N 2.9Å; V496-N499 PolarHBondContact O-ND2 2.93Å; K497-N499 PolarHBondContact O-N 3.29Å; K497-N499 VanDerWaalsContact O-N 3.1Å; N499-V501 PolarHBondContact O-N 3.44Å; N499-I504 HydrophobicContact CB-CG2 3.6Å
500	L	90.3	Very high	89.7	Confident	6 Å²	6	28.3 Å²	28.3	3%	0.031	15%	0.145	C	C	.	.			trans	-65.8	126.9	175.8	-158.5	161.2	0	0	0	109.7	Y233 V502 G503 I504 V514	Y233-L500 HydrophobicContact CD1-CB 4.19Å; Y233-L500 HydrophobicContact CD2-CB 4.39Å; Y233-L500 HydrophobicContact CD2-CD1 3.76Å; Y233-L500 HydrophobicContact CD2-CG 4.27Å; Y233-L500 HydrophobicContact CE1-CB 4.06Å; Y233-L500 HydrophobicContact CE1-CG 4.49Å; Y233-L500 HydrophobicContact CE2-CB 4.29Å; Y233-L500 HydrophobicContact CE2-CD1 3.74Å; Y233-L500 HydrophobicContact CE2-CG 3.92Å; Y233-L500 HydrophobicContact CG-CB 4.37Å; Y233-L500 HydrophobicContact CG-CD1 4.42Å; L500-V502 HydrophobicContact CD2-CB 4.2Å; L500-V502 HydrophobicContact CD2-CG1 3.1Å; L500-V502 PolarHBondContact O-N 3.46Å; L500-G503 VanDerWaalsContact O-CA 3.28Å; L500-G503 WeakPolarHBondContact O-CA 3.47Å; L500-G503 PolarHBondContact O-N 3.49Å; L500-I504 PolarHBondContact O-N 3.37Å; L500-V514 HydrophobicContact CB-CG2 4.36Å; L500-V514 HydrophobicContact CD1-CG2 4.5Å
501	V	91.5	Very high	89.8	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-61.3	-36.7	-170.6	177.8	0	0	0	0	113.5	T148 I483 V487 L488 N499 G503 I504	T148-V501 HydrophobicContact CG2-CG1 4.13Å; I483-V501 HydrophobicContact CD1-CG1 4.1Å; I483-V501 HydrophobicContact CG2-CG1 4.27Å; V487-V501 HydrophobicContact CG1-CG1 4Å; V487-V501 HydrophobicContact CG1-CG2 4.18Å; L488-V501 HydrophobicContact CD2-CG1 4.4Å; N499-V501 PolarHBondContact O-N 3.44Å; V501-G503 VanDerWaalsContact C-N 3.35Å; V501-I504 WeakPolarHBondContact O-CG1 3.32Å
502	V	91.8	Very high	90.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-76.5	-24.9	171.4	59.9	0	0	0	0	112.3	F144 T148 I297 F479 L500 L505 S506 I513	F144-V502 HydrophobicContact CB-CG1 4.49Å; F144-V502 WeakPolarHBondContact O-CG1 3.44Å; T148-V502 HydrophobicContact CG2-CB 3.97Å; I297-V502 HydrophobicContact CD1-CG2 3.49Å; I297-V502 VanDerWaalsContact CD1-CG2 3.49Å; I297-V502 HydrophobicContact CG1-CG2 3.65Å; I297-V502 HydrophobicContact CG2-CG2 4.25Å; F479-V502 HydrophobicContact CE1-CB 4.42Å; F479-V502 HydrophobicContact CE1-CG2 3.73Å; F479-V502 HydrophobicContact CZ-CB 4.25Å; F479-V502 HydrophobicContact CZ-CG2 3.61Å; L500-V502 HydrophobicContact CD2-CB 4.2Å; L500-V502 HydrophobicContact CD2-CG1 3.1Å; L500-V502 PolarHBondContact O-N 3.46Å; V502-L505 PolarHBondContact O-N 2.91Å; V502-S506 PolarHBondContact O-N 2.98Å; V502-I513 HydrophobicContact CG1-CG2 4.13Å
503	G	90.4	Very high	90.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-42.2	176.5	0	0	0	0	0	112.5	L500 V501 L505 S506 P510	L500-G503 VanDerWaalsContact O-CA 3.28Å; L500-G503 WeakPolarHBondContact O-CA 3.47Å; L500-G503 PolarHBondContact O-N 3.49Å; V501-G503 VanDerWaalsContact C-N 3.35Å; G503-L505 PolarHBondContact O-N 3.32Å; G503-S506 WeakPolarHBondContact O-CB 3.47Å; G503-S506 PolarHBondContact O-N 2.93Å; G503-S506 PolarHBondContact O-OG 3.46Å; G503-P510 VanDerWaalsContact O-CA 3.32Å; G503-P510 WeakPolarHBondContact O-CA 3.48Å; G503-P510 WeakPolarHBondContact O-CB 3.26Å
504	I	90.6	Very high	90.7	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-24.2	178.4	54.9	163.5	0	0	0	113.4	F311 I374 V487 V496 N499 L500 V501	F311-I504 HydrophobicContact CD1-CG2 4.07Å; F311-I504 HydrophobicContact CD2-CB 3.89Å; F311-I504 HydrophobicContact CD2-CG2 4.23Å; F311-I504 HydrophobicContact CE1-CG2 3.92Å; F311-I504 HydrophobicContact CE2-CB 3.83Å; F311-I504 HydrophobicContact CE2-CG2 4.07Å; F311-I504 HydrophobicContact CG-CB 4.29Å; F311-I504 HydrophobicContact CG-CG2 4.22Å; F311-I504 HydrophobicContact CZ-CB 4.19Å; F311-I504 HydrophobicContact CZ-CG2 3.92Å; I374-I504 HydrophobicContact CD1-CB 3.89Å; I374-I504 HydrophobicContact CD1-CD1 3.7Å; I374-I504 HydrophobicContact CD1-CG1 3.72Å; I374-I504 VanDerWaalsContact CD1-O 3.3Å; I374-I504 WeakPolarHBondContact CD1-O 3.35Å; I374-I504 HydrophobicContact CG1-CD1 3.99Å; V487-I504 HydrophobicContact CG1-CD1 4.07Å; V496-I504 HydrophobicContact CG1-CD1 4.28Å; V496-I504 HydrophobicContact CG2-CD1 4.49Å; N499-I504 HydrophobicContact CB-CG2 3.6Å; L500-I504 PolarHBondContact O-N 3.37Å; V501-I504 WeakPolarHBondContact O-CG1 3.32Å
505	L	91.9	Very high	90.8	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-79.8	-26.7	175.3	-176.5	60.9	0	0	0	112.4	G300 A301 I374 F479 C482 I483 V502 G503	G300-L505 CarbonylContact C-O 3.51Å; G300-L505 WeakPolarHBondContact CA-O 3.48Å; A301-L505 HydrophobicContact CB-CD2 4.31Å; I374-L505 HydrophobicContact CD1-CB 4.46Å; I374-L505 HydrophobicContact CG2-CD1 4.31Å; F479-L505 HydrophobicContact CD1-CD2 3.91Å; F479-L505 HydrophobicContact CE1-CD2 4.08Å; C482-L505 HydrophobicContact CB-CD1 3.91Å; C482-L505 HydrophobicContact CB-CD2 4.42Å; I483-L505 HydrophobicContact CD1-CB 4.49Å; I483-L505 HydrophobicContact CD1-CD2 4.27Å; V502-L505 PolarHBondContact O-N 2.91Å; G503-L505 PolarHBondContact O-N 3.32Å
506	S	93.1	Very high	91	Very high	12 Å²	12	37 Å²	37	8%	0.084	19%	0.185	C	C	.	.			trans	-72.6	150.7	-169	71.9	0	0	0	0	114.3	V502 G503 S509 I513	V502-S506 PolarHBondContact O-N 2.98Å; G503-S506 WeakPolarHBondContact O-CB 3.47Å; G503-S506 PolarHBondContact O-N 2.93Å; G503-S506 PolarHBondContact O-OG 3.46Å; S506-S509 PolarHBondContact OG-O 3.27Å; S506-I513 WeakPolarHBondContact OG-CG1 3.39Å
507	W	92.1	Very high	91.1	Very high	125 Å²	125	36.9 Å²	36.9	47%	0.473	18%	0.184	S	C	.	.	S	Bend	trans	-117.8	138.4	169.5	179	81.8	0	0	0	109.4	S296 A299 K303	S296-W507 WeakPolarHBondContact CA-O 3.47Å; S296-W507 WeakPolarHBondContact CB-O 3.48Å; S296-W507 PolarHBondContact O-N 2.85Å; S296-W507 VanDerWaalsContact O-N 3.09Å; S296-W507 PolarHBondContact OG-O 2.97Å; A299-W507 HydrophobicContact CB-CE3 4.01Å; K303-W507 HydrophobicContact CD-CG 4.11Å; K303-W507 VanDerWaalsContact NZ-CD1 3.31Å
508	P	91.4	Very high	91.4	Very high	86 Å²	86	34.2 Å²	34.2	56%	0.558	17%	0.173	S	C	*	.	S	Bend	cis	-86	-21.6	10.4	32	-36.8	0	0	0	116.8	V512	P508-V512 HydrophobicContact CG-CG2 4.2Å
509	S	92.5	Very high	91.8	Very high	42 Å²	42	36.5 Å²	36.5	29%	0.294	18%	0.182	S	C	.	.			trans	-151.6	147	-176	179.6	0	0	0	0	111.2	S506 W511 V512	S506-S509 PolarHBondContact OG-O 3.27Å; S509-W511 PolarHBondContact O-N 3.12Å; S509-W511 VanDerWaalsContact O-N 3.14Å; S509-V512 WeakPolarHBondContact O-CB 3.27Å; S509-V512 PolarHBondContact O-N 3.37Å; S509-V512 VanDerWaalsContact O-N 3.11Å
510	P	90.9	Very high	91.8	Very high	28 Å²	28	34.4 Å²	34.4	18%	0.182	17%	0.172	C	C	.	.	H	α-helix	trans	-54.9	-30.1	174.4	-26	34.9	0	0	0	114.2	F311 G503 V512 I513 V514	F311-P510 HydrophobicContact CZ-CG 4.26Å; G503-P510 VanDerWaalsContact O-CA 3.32Å; G503-P510 WeakPolarHBondContact O-CA 3.48Å; G503-P510 WeakPolarHBondContact O-CB 3.26Å; P510-V512 PolarHBondContact O-N 3.05Å; P510-I513 PolarHBondContact O-N 3.21Å; P510-I513 VanDerWaalsContact O-N 3.16Å; P510-V514 PolarHBondContact O-N 3.42Å
511	W	91.8	Very high	91.8	Very high	136 Å²	136	34.2 Å²	34.2	52%	0.515	17%	0.171	S	C	.	.	H	α-helix	trans	-62	-25.9	179.6	-69.5	108	0	0	0	113.7	L234 S509 I513 V514 I515	L234-W511 HydrophobicContact CD1-CZ3 4.47Å; S509-W511 PolarHBondContact O-N 3.12Å; S509-W511 VanDerWaalsContact O-N 3.14Å; W511-I513 VanDerWaalsContact C-N 3.3Å; W511-I513 PolarHBondContact O-N 3.43Å; W511-V514 HydrophobicContact CE3-CB 4.36Å; W511-V514 HydrophobicContact CE3-CG1 4.34Å; W511-V514 HydrophobicContact CZ3-CG1 4.4Å; W511-V514 PolarHBondContact O-N 3.4Å; W511-I515 WeakPolarHBondContact O-CB 3.39Å; W511-I515 WeakPolarHBondContact O-CG1 3.43Å; W511-I515 PolarHBondContact O-N 3.1Å
512	V	93.6	Very high	91.8	Very high	41 Å²	41	35.4 Å²	35.4	25%	0.248	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-43	176.6	178	0	0	0	0	110.3	I292 P508 S509 P510 G516	I292-V512 HydrophobicContact CG2-CG1 4.18Å; P508-V512 HydrophobicContact CG-CG2 4.2Å; S509-V512 WeakPolarHBondContact O-CB 3.27Å; S509-V512 PolarHBondContact O-N 3.37Å; S509-V512 VanDerWaalsContact O-N 3.11Å; P510-V512 PolarHBondContact O-N 3.05Å; V512-G516 WeakPolarHBondContact O-CA 3.36Å; V512-G516 PolarHBondContact O-N 3.33Å
513	I	93	Very high	91.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-74.7	-40.1	179.2	-54.2	-56.9	0	0	0	111	F144 S293 I297 V502 S506 P510 W511 G516 S517	F144-I513 HydrophobicContact CD1-CG2 4Å; S293-I513 WeakPolarHBondContact O-CD1 3.4Å; I297-I513 HydrophobicContact CD1-CD1 4.25Å; I297-I513 HydrophobicContact CG1-CD1 3.84Å; V502-I513 HydrophobicContact CG1-CG2 4.13Å; S506-I513 WeakPolarHBondContact OG-CG1 3.39Å; P510-I513 PolarHBondContact O-N 3.21Å; P510-I513 VanDerWaalsContact O-N 3.16Å; W511-I513 VanDerWaalsContact C-N 3.3Å; W511-I513 PolarHBondContact O-N 3.43Å; I513-G516 PolarHBondContact O-N 3.44Å; I513-S517 WeakPolarHBondContact O-CB 3.39Å; I513-S517 PolarHBondContact O-N 3.44Å; I513-S517 PolarHBondContact O-OG 3.42Å
514	V	92.9	Very high	91.7	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-50.2	178.9	176.7	0	0	0	0	110.8	I229 L234 L500 P510 W511 S517 F518	I229-V514 HydrophobicContact CG2-CG1 4.15Å; L234-V514 HydrophobicContact CD1-CG1 3.63Å; L500-V514 HydrophobicContact CB-CG2 4.36Å; L500-V514 HydrophobicContact CD1-CG2 4.5Å; P510-V514 PolarHBondContact O-N 3.42Å; W511-V514 HydrophobicContact CE3-CB 4.36Å; W511-V514 HydrophobicContact CE3-CG1 4.34Å; W511-V514 HydrophobicContact CZ3-CG1 4.4Å; W511-V514 PolarHBondContact O-N 3.4Å; V514-S517 PolarHBondContact O-OG 3.12Å; V514-F518 WeakPolarHBondContact O-CB 3.48Å; V514-F518 PolarHBondContact O-N 2.94Å
515	I	92.3	Very high	91.7	Very high	82 Å²	82	35.8 Å²	35.8	42%	0.421	18%	0.182	S	C	.	.	H	α-helix	trans	-70.4	-43.5	179.4	-63.2	170.4	0	0	0	110.9	W511 F518 F519	W511-I515 WeakPolarHBondContact O-CB 3.39Å; W511-I515 WeakPolarHBondContact O-CG1 3.43Å; W511-I515 PolarHBondContact O-N 3.1Å; I515-F518 PolarHBondContact O-N 3.37Å; I515-F519 HydrophobicContact CG2-CD2 3.76Å; I515-F519 HydrophobicContact CG2-CE2 3.65Å; I515-F519 WeakPolarHBondContact O-CD2 3.29Å; I515-F519 PolarHBondContact O-N 3.42Å; I515-F519 VanDerWaalsContact O-N 3.15Å
516	G	91.6	Very high	91.6	Very high	6 Å²	6	36.2 Å²	36.2	6%	0.062	18%	0.184	C	C	.	.	H	α-helix	trans	-63.7	-43.7	-178.8	0	0	0	0	0	113.1	V512 I513 S520	V512-G516 WeakPolarHBondContact O-CA 3.36Å; V512-G516 PolarHBondContact O-N 3.33Å; I513-G516 PolarHBondContact O-N 3.44Å; G516-S520 VanDerWaalsContact O-CB 3.26Å; G516-S520 WeakPolarHBondContact O-CB 3.44Å; G516-S520 PolarHBondContact O-N 3.02Å
517	S	91.4	Very high	91.4	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-68	-36.3	177.1	62.8	0	0	0	0	112.4	I513 V514 S520 T521	I513-S517 WeakPolarHBondContact O-CB 3.39Å; I513-S517 PolarHBondContact O-N 3.44Å; I513-S517 PolarHBondContact O-OG 3.42Å; V514-S517 PolarHBondContact O-OG 3.12Å; S517-S520 PolarHBondContact O-N 3.21Å; S517-T521 PolarHBondContact O-N 3.48Å; S517-T521 PolarHBondContact O-OG1 3.11Å
518	F	93.3	Very high	91.3	Very high	47 Å²	47	30.9 Å²	30.9	21%	0.206	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-52.9	174.7	177.5	-101	0	0	0	112.1	A226 I229 F230 V514 I515 S520 T521 V522	A226-F518 HydrophobicContact CB-CD2 4.44Å; A226-F518 HydrophobicContact CB-CE2 4.36Å; I229-F518 HydrophobicContact CG2-CB 4.11Å; I229-F518 HydrophobicContact CG2-CD2 4.44Å; F230-F518 HydrophobicContact CB-CE2 4.25Å; V514-F518 WeakPolarHBondContact O-CB 3.48Å; V514-F518 PolarHBondContact O-N 2.94Å; I515-F518 PolarHBondContact O-N 3.37Å; F518-S520 VanDerWaalsContact C-N 3.31Å; F518-S520 PolarHBondContact O-N 2.92Å; F518-T521 PolarHBondContact O-N 3.27Å; F518-T521 PolarHBondContact O-OG1 3.1Å; F518-T521 VanDerWaalsContact O-OG1 3.09Å; F518-V522 HydrophobicContact CE1-CG2 4.38Å; F518-V522 HydrophobicContact CE2-CG2 4.37Å; F518-V522 HydrophobicContact CZ-CG2 4.2Å; F518-V522 WeakPolarHBondContact O-CG2 3.1Å; F518-V522 PolarHBondContact O-N 3.15Å; F518-V522 VanDerWaalsContact O-N 3.08Å
519	F	91.2	Very high	91.3	Very high	87 Å²	87	26.8 Å²	26.8	38%	0.382	14%	0.139	S	C	.	.	H	α-helix	trans	-65.9	-34.4	177.8	-76.2	-63.1	0	0	0	112.5	F286 I515 G523	F286-F519 HydrophobicContact CD1-CB 4.27Å; F286-F519 VanDerWaalsContact CD1-O 3.24Å; F286-F519 WeakPolarHBondContact CD1-O 3.18Å; F286-F519 HydrophobicContact CE1-CB 4.42Å; F286-F519 HydrophobicContact CE1-CD1 4.43Å; I515-F519 HydrophobicContact CG2-CD2 3.76Å; I515-F519 HydrophobicContact CG2-CE2 3.65Å; I515-F519 WeakPolarHBondContact O-CD2 3.29Å; I515-F519 PolarHBondContact O-N 3.42Å; I515-F519 VanDerWaalsContact O-N 3.15Å; F519-G523 PolarHBondContact O-N 3.34Å
520	S	89.8	Confident	91.2	Very high	6 Å²	6	25 Å²	25	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-45.1	173.8	170.7	0	0	0	0	112.1	V290 G516 S517 F518 G523 A524	V290-S520 WeakPolarHBondContact CG2-OG 3.4Å; G516-S520 VanDerWaalsContact O-CB 3.26Å; G516-S520 WeakPolarHBondContact O-CB 3.44Å; G516-S520 PolarHBondContact O-N 3.02Å; S517-S520 PolarHBondContact O-N 3.21Å; F518-S520 VanDerWaalsContact C-N 3.31Å; F518-S520 PolarHBondContact O-N 2.92Å; S520-G523 PolarHBondContact O-N 3.4Å; S520-A524 WeakPolarHBondContact O-CB 3.39Å; S520-A524 PolarHBondContact O-N 3.5Å
521	T	91.4	Very high	91.1	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-67	-45.9	179.5	14.2	0	0	0	0	112.1	V141 Y222 S517 F518 G523 A524 G525	V141-T521 HydrophobicContact CB-CG2 3.43Å; V141-T521 VanDerWaalsContact CB-CG2 3.43Å; V141-T521 HydrophobicContact CG2-CG2 3.53Å; Y222-T521 HydrophobicContact CD1-CG2 4.3Å; S517-T521 PolarHBondContact O-N 3.48Å; S517-T521 PolarHBondContact O-OG1 3.11Å; F518-T521 PolarHBondContact O-N 3.27Å; F518-T521 PolarHBondContact O-OG1 3.1Å; F518-T521 VanDerWaalsContact O-OG1 3.09Å; T521-G523 VanDerWaalsContact C-N 3.29Å; T521-G523 PolarHBondContact O-N 3.18Å; T521-A524 PolarHBondContact O-N 3.33Å; T521-G525 PolarHBondContact O-N 3.49Å
522	V	91.2	Very high	91.1	Very high	29 Å²	29	17.6 Å²	17.6	18%	0.176	10%	0.097	C	C	.	.	H	α-helix	trans	-60.2	-41.8	176.3	174.4	0	0	0	0	110.8	A226 F518 G525 L526	A226-V522 HydrophobicContact CB-CG2 3.95Å; F518-V522 HydrophobicContact CE1-CG2 4.38Å; F518-V522 HydrophobicContact CE2-CG2 4.37Å; F518-V522 HydrophobicContact CZ-CG2 4.2Å; F518-V522 WeakPolarHBondContact O-CG2 3.1Å; F518-V522 PolarHBondContact O-N 3.15Å; F518-V522 VanDerWaalsContact O-N 3.08Å; V522-G525 PolarHBondContact O-N 2.94Å; V522-L526 HydrophobicContact CG1-CD1 4.26Å; V522-L526 WeakPolarHBondContact O-CG 3.47Å; V522-L526 PolarHBondContact O-N 3.49Å
523	G	89.3	Confident	91	Very high	3 Å²	3	15.7 Å²	15.7	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-61	-46.9	175.9	0	0	0	0	0	113.3	F519 S520 T521 L526 Q527	F519-G523 PolarHBondContact O-N 3.34Å; S520-G523 PolarHBondContact O-N 3.4Å; T521-G523 VanDerWaalsContact C-N 3.29Å; T521-G523 PolarHBondContact O-N 3.18Å; G523-L526 PolarHBondContact O-N 3.43Å; G523-Q527 WeakPolarHBondContact O-CB 3.5Å; G523-Q527 PolarHBondContact O-N 2.92Å
524	A	89.7	Confident	90.8	Very high	8 Å²	8	17.7 Å²	17.7	7%	0.066	9%	0.093	C	C	.	.	H	α-helix	trans	-65.7	-37.5	177.2	0	0	0	0	0	112.5	Y222 S520 T521 Q527 S528	Y222-A524 HydrophobicContact CD1-CB 4.09Å; Y222-A524 HydrophobicContact CD2-CB 3.72Å; Y222-A524 HydrophobicContact CE1-CB 4.15Å; Y222-A524 HydrophobicContact CE2-CB 3.78Å; Y222-A524 HydrophobicContact CG-CB 3.89Å; S520-A524 WeakPolarHBondContact O-CB 3.39Å; S520-A524 PolarHBondContact O-N 3.5Å; T521-A524 PolarHBondContact O-N 3.33Å; A524-Q527 PolarHBondContact O-N 2.97Å; A524-S528 WeakPolarHBondContact O-CB 3.46Å; A524-S528 PolarHBondContact O-N 3.32Å; A524-S528 PolarHBondContact O-OG 2.98Å
525	G	91.6	Very high	90.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62	-46.3	173.4	0	0	0	0	0	112.5	S219 T521 V522 S528 L529	S219-G525 PolarHBondContact OG-O 3.49Å; T521-G525 PolarHBondContact O-N 3.49Å; V522-G525 PolarHBondContact O-N 2.94Å; G525-S528 PolarHBondContact O-N 3.18Å; G525-L529 WeakPolarHBondContact O-CB 3.31Å; G525-L529 PolarHBondContact O-N 3.23Å
526	L	89.9	Confident	90.8	Very high	13 Å²	13	14.4 Å²	14.4	7%	0.068	8%	0.076	C	C	.	.	H	α-helix	trans	-63.5	-40.6	176.2	-79.7	172.4	0	0	0	111.6	M268 V271 V272 V279 F286 V522 G523 L529 T530	M268-L526 HydrophobicContact CB-CD2 3.88Å; M268-L526 HydrophobicContact CE-CB 4.21Å; M268-L526 HydrophobicContact CE-CD2 3.92Å; M268-L526 HydrophobicContact CE-CG 3.65Å; M268-L526 HydrophobicContact CG-CD2 3.92Å; M268-L526 HydrophobicContact CG-CG 4.4Å; V271-L526 HydrophobicContact CG1-CD2 4.39Å; V272-L526 HydrophobicContact CG2-CD2 4.16Å; V279-L526 HydrophobicContact CG1-CB 4.2Å; F286-L526 HydrophobicContact CZ-CD1 4.44Å; V522-L526 HydrophobicContact CG1-CD1 4.26Å; V522-L526 WeakPolarHBondContact O-CG 3.47Å; V522-L526 PolarHBondContact O-N 3.49Å; G523-L526 PolarHBondContact O-N 3.43Å; L526-L529 PolarHBondContact O-N 3.49Å; L526-T530 WeakPolarHBondContact O-CB 3.49Å; L526-T530 VanDerWaalsContact O-CG2 3.29Å; L526-T530 WeakPolarHBondContact O-CG2 3.43Å; L526-T530 PolarHBondContact O-N 2.99Å; L526-T530 PolarHBondContact O-OG1 3.45Å
527	Q	88.4	Confident	90.8	Very high	9 Å²	9	14.3 Å²	14.3	4%	0.042	7%	0.074	C	C	.	.	H	α-helix	trans	-64.3	-42.7	177.5	-176.7	165.1	13.9	0	0	111.9	N97 N137 G523 A524 T530 G531	N97-Q527 PolarHBondContact ND2-OE1 3.16Å; N97-Q527 PolarHBondContact O-NE2 2.99Å; N137-Q527 PolarHBondContact ND2-NE2 3.36Å; N137-Q527 PolarHBondContact OD1-NE2 3.03Å; N137-Q527 PolarHBondContact OD1-OE1 3.49Å; N137-Q527 VanDerWaalsContact OD1-OE1 3.05Å; G523-Q527 WeakPolarHBondContact O-CB 3.5Å; G523-Q527 PolarHBondContact O-N 2.92Å; A524-Q527 PolarHBondContact O-N 2.97Å; Q527-T530 WeakPolarHBondContact CA-OG1 3.28Å; Q527-T530 PolarHBondContact O-N 3.17Å; Q527-T530 PolarHBondContact O-OG1 3.11Å; Q527-G531 PolarHBondContact O-N 3.5Å
528	S	90.9	Very high	90.6	Very high	16 Å²	16	14.4 Å²	14.4	11%	0.112	8%	0.075	C	C	.	.	H	α-helix	trans	-66.3	-40.9	176.8	-57	0	0	0	0	111.5	A524 G525 T530 G531 A532	A524-S528 WeakPolarHBondContact O-CB 3.46Å; A524-S528 PolarHBondContact O-N 3.32Å; A524-S528 PolarHBondContact O-OG 2.98Å; G525-S528 PolarHBondContact O-N 3.18Å; S528-T530 VanDerWaalsContact C-N 3.31Å; S528-T530 PolarHBondContact O-N 3.26Å; S528-G531 PolarHBondContact O-N 2.96Å; S528-A532 WeakPolarHBondContact O-CB 3.48Å; S528-A532 PolarHBondContact O-N 3.13Å
529	L	91.4	Very high	90.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-69.8	-25.2	178.9	-166.4	62.7	0	0	0	113.3	L265 M268 A269 V272 G525 L526 P533 L564 T567	L265-L529 HydrophobicContact CD1-CD1 4.24Å; L265-L529 HydrophobicContact CD1-CD2 4.27Å; M268-L529 HydrophobicContact CB-CD2 3.87Å; A269-L529 HydrophobicContact CB-CD2 4.34Å; V272-L529 HydrophobicContact CG2-CD2 4.26Å; V272-L529 HydrophobicContact CG2-CG 4.4Å; G525-L529 WeakPolarHBondContact O-CB 3.31Å; G525-L529 PolarHBondContact O-N 3.23Å; L526-L529 PolarHBondContact O-N 3.49Å; L529-P533 WeakPolarHBondContact O-CD 3.5Å; L529-P533 WeakPolarHBondContact O-CG 3.43Å; L529-L564 HydrophobicContact CD1-CD1 4.49Å; L529-L564 HydrophobicContact CG-CD1 4.34Å; L529-T567 HydrophobicContact CD1-CG2 4.04Å
530	T	89.2	Confident	90.5	Very high	3 Å²	3	8.1 Å²	8.1	2%	0.018	5%	0.048	C	C	.	.	H	α-helix	trans	-85.2	-35.2	172.6	51.4	0	0	0	0	112.7	V272 V276 L526 Q527 S528 R534	V272-T530 HydrophobicContact CB-CG2 4.24Å; V272-T530 HydrophobicContact CG1-CG2 3.78Å; V272-T530 HydrophobicContact CG2-CG2 3.49Å; V272-T530 VanDerWaalsContact CG2-CG2 3.49Å; V276-T530 HydrophobicContact CG1-CG2 4.1Å; V276-T530 HydrophobicContact CG2-CG2 4.14Å; L526-T530 WeakPolarHBondContact O-CB 3.49Å; L526-T530 VanDerWaalsContact O-CG2 3.29Å; L526-T530 WeakPolarHBondContact O-CG2 3.43Å; L526-T530 PolarHBondContact O-N 2.99Å; L526-T530 PolarHBondContact O-OG1 3.45Å; Q527-T530 WeakPolarHBondContact CA-OG1 3.28Å; Q527-T530 PolarHBondContact O-N 3.17Å; Q527-T530 PolarHBondContact O-OG1 3.11Å; S528-T530 VanDerWaalsContact C-N 3.31Å; S528-T530 PolarHBondContact O-N 3.26Å; T530-R534 WeakPolarHBondContact O-CG 3.34Å
531	G	88.6	Confident	90.4	Very high	9 Å²	9	10.7 Å²	10.7	9%	0.093	6%	0.058	C	C	.	.	H	α-helix	trans	-75	-45.7	-176.9	0	0	0	0	0	114	Q527 S528 R534 L535	Q527-G531 PolarHBondContact O-N 3.5Å; S528-G531 PolarHBondContact O-N 2.96Å; G531-R534 PolarHBondContact O-N 3.47Å; G531-L535 PolarHBondContact O-N 2.87Å
532	A	91.8	Very high	90.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.9	-44.9	-176.2	0	0	0	0	0	113.4	Y212 T215 S528 R534 L535 L536 T567	Y212-A532 HydrophobicContact CD2-CB 3.9Å; Y212-A532 VanDerWaalsContact CD2-O 3.29Å; Y212-A532 WeakPolarHBondContact CD2-O 3.45Å; Y212-A532 HydrophobicContact CE2-CB 3.98Å; T215-A532 WeakPolarHBondContact OG1-CB 3.47Å; S528-A532 WeakPolarHBondContact O-CB 3.48Å; S528-A532 PolarHBondContact O-N 3.13Å; A532-R534 VanDerWaalsContact C-N 3.35Å; A532-R534 PolarHBondContact O-N 3.15Å; A532-L535 WeakPolarHBondContact O-CB 3.19Å; A532-L535 PolarHBondContact O-N 3.35Å; A532-L536 PolarHBondContact O-N 3.39Å; A532-T567 HydrophobicContact CB-CG2 3.87Å
533	P	92.6	Very high	89.8	Confident	2 Å²	2	14.7 Å²	14.7	1%	0.013	8%	0.078	C	C	.	.	H	α-helix	trans	-63.1	-37.1	176.1	-24.1	35.2	0	0	0	113.7	L529 L535 L536 Q537 P560 A563 L564 T567	L529-P533 WeakPolarHBondContact O-CD 3.5Å; L529-P533 WeakPolarHBondContact O-CG 3.43Å; P533-L535 VanDerWaalsContact C-N 3.34Å; P533-L536 PolarHBondContact O-N 3.47Å; P533-Q537 WeakPolarHBondContact O-CB 3.3Å; P533-Q537 PolarHBondContact O-N 2.85Å; P533-P560 HydrophobicContact CB-CB 4.46Å; P533-P560 HydrophobicContact CB-CG 3.61Å; P533-A563 HydrophobicContact CB-CB 4.06Å; P533-L564 HydrophobicContact CB-CB 4.34Å; P533-L564 HydrophobicContact CG-CB 4.24Å; P533-L564 HydrophobicContact CG-CD1 3.84Å; P533-T567 HydrophobicContact CG-CG2 4.17Å
534	R	89.4	Confident	89.6	Confident	42 Å²	42	15.5 Å²	15.5	16%	0.158	8%	0.082	C	C	.	.	H	α-helix	trans	-66.3	-38.5	178.3	-71.8	178.9	178.6	-153.5	-5.9	111.5	T99 T530 G531 A532 Q537 A538	T99-R534 WeakPolarHBondContact O-CD 3.46Å; T99-R534 PolarHBondContact O-NH1 3.35Å; T530-R534 WeakPolarHBondContact O-CG 3.34Å; G531-R534 PolarHBondContact O-N 3.47Å; A532-R534 VanDerWaalsContact C-N 3.35Å; A532-R534 PolarHBondContact O-N 3.15Å; R534-Q537 PolarHBondContact O-N 3.48Å; R534-A538 PolarHBondContact O-N 2.91Å
535	L	90.6	Very high	89.5	Confident	18 Å²	18	15.3 Å²	15.3	9%	0.094	8%	0.08	C	C	.	.	H	α-helix	trans	-64.1	-48	174	178.4	67	0	0	0	111.5	Y192 F211 G531 A532 P533 Q537 A538 I539	Y192-L535 HydrophobicContact CD2-CD1 4.3Å; Y192-L535 HydrophobicContact CG-CD1 4.06Å; F211-L535 HydrophobicContact CB-CD2 4.13Å; F211-L535 HydrophobicContact CD1-CD1 4.25Å; F211-L535 HydrophobicContact CD1-CD2 3.31Å; F211-L535 HydrophobicContact CD1-CG 4.41Å; F211-L535 HydrophobicContact CE1-CD2 4Å; F211-L535 HydrophobicContact CG-CD2 4.04Å; G531-L535 PolarHBondContact O-N 2.87Å; A532-L535 WeakPolarHBondContact O-CB 3.19Å; A532-L535 PolarHBondContact O-N 3.35Å; P533-L535 VanDerWaalsContact C-N 3.34Å; L535-Q537 VanDerWaalsContact C-N 3.29Å; L535-Q537 PolarHBondContact O-N 3.11Å; L535-A538 WeakPolarHBondContact O-CB 3.44Å; L535-A538 PolarHBondContact O-N 3.48Å; L535-I539 HydrophobicContact CG-CD1 4.23Å; L535-I539 WeakPolarHBondContact O-CG1 3.39Å; L535-I539 PolarHBondContact O-N 3.33Å; L535-I539 VanDerWaalsContact O-N 3.08Å
536	L	92.6	Very high	89.3	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-62.6	-38.2	178	-177.3	62.3	0	0	0	111.9	Y212 A532 P533 I539 A540 L548 F551 A563 L566	Y212-L536 HydrophobicContact CD2-CB 3.9Å; Y212-L536 HydrophobicContact CE1-CD2 4.21Å; Y212-L536 HydrophobicContact CE2-CB 3.88Å; Y212-L536 HydrophobicContact CE2-CD2 4.03Å; Y212-L536 HydrophobicContact CE2-CG 4.47Å; Y212-L536 HydrophobicContact CG-CB 4.44Å; A532-L536 PolarHBondContact O-N 3.39Å; P533-L536 PolarHBondContact O-N 3.47Å; L536-I539 PolarHBondContact O-N 3.41Å; L536-A540 WeakPolarHBondContact O-CB 3.39Å; L536-A540 PolarHBondContact O-N 3.2Å; L536-L548 HydrophobicContact CD1-CD1 4.36Å; L536-F551 HydrophobicContact CD2-CB 4.14Å; L536-F551 HydrophobicContact CD2-CD1 4.48Å; L536-F551 HydrophobicContact CD2-CG 4.13Å; L536-F551 HydrophobicContact CG-CB 4.2Å; L536-A563 HydrophobicContact CB-CB 4.27Å; L536-A563 HydrophobicContact CD2-CB 3.95Å; L536-A563 HydrophobicContact CG-CB 4.31Å; L536-L566 HydrophobicContact CD2-CD2 3.67Å
537	Q	91.9	Very high	89.3	Confident	4 Å²	4	24 Å²	24	2%	0.019	12%	0.124	C	C	.	.	H	α-helix	trans	-61.9	-42.4	174.6	-171.8	-173.4	27.5	0	0	111.8	P533 R534 L535 A540 K541 G558 P560	P533-Q537 WeakPolarHBondContact O-CB 3.3Å; P533-Q537 PolarHBondContact O-N 2.85Å; R534-Q537 PolarHBondContact O-N 3.48Å; L535-Q537 VanDerWaalsContact C-N 3.29Å; L535-Q537 PolarHBondContact O-N 3.11Å; Q537-A540 PolarHBondContact O-N 3.37Å; Q537-K541 WeakPolarHBondContact O-CG 3.29Å; Q537-K541 PolarHBondContact O-N 3.14Å; Q537-G558 PolarHBondContact NE2-O 3.02Å; Q537-G558 PolarHBondContact OE1-O 3.46Å; Q537-P560 HydrophobicContact CB-CB 4.09Å; Q537-P560 HydrophobicContact CG-CB 4.24Å
538	A	88.4	Confident	89.4	Confident	4 Å²	4	24.3 Å²	24.3	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-62.2	-44.7	176.8	0	0	0	0	0	112	A102 Y192 F193 R534 L535 A540 K541 D542	A102-A538 HydrophobicContact CB-CB 4.27Å; Y192-A538 HydrophobicContact CD1-CB 3.75Å; Y192-A538 HydrophobicContact CE1-CB 4.09Å; F193-A538 HydrophobicContact CE2-CB 3.76Å; F193-A538 HydrophobicContact CZ-CB 3.92Å; R534-A538 PolarHBondContact O-N 2.91Å; L535-A538 WeakPolarHBondContact O-CB 3.44Å; L535-A538 PolarHBondContact O-N 3.48Å; A538-A540 VanDerWaalsContact C-N 3.31Å; A538-A540 PolarHBondContact O-N 3.33Å; A538-K541 PolarHBondContact O-N 3.49Å; A538-D542 PolarHBondContact O-N 3.08Å
539	I	90.9	Very high	89.3	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.5	-43	175.2	-65.1	165.6	0	0	0	111.1	Y192 L209 L535 L536 K541 D542 I544 L548	Y192-I539 HydrophobicContact CD2-CG1 3.93Å; Y192-I539 HydrophobicContact CE1-CG1 4.43Å; Y192-I539 HydrophobicContact CE2-CD1 4.47Å; Y192-I539 HydrophobicContact CE2-CG1 3.53Å; L209-I539 HydrophobicContact CD2-CD1 4.32Å; L209-I539 HydrophobicContact CG-CD1 4.47Å; L535-I539 HydrophobicContact CG-CD1 4.23Å; L535-I539 WeakPolarHBondContact O-CG1 3.39Å; L535-I539 PolarHBondContact O-N 3.33Å; L535-I539 VanDerWaalsContact O-N 3.08Å; L536-I539 PolarHBondContact O-N 3.41Å; I539-K541 PolarHBondContact O-N 3.23Å; I539-D542 PolarHBondContact O-N 3.36Å; I539-I544 HydrophobicContact CG2-CD1 3.77Å; I539-I544 HydrophobicContact CG2-CG1 4.11Å; I539-L548 HydrophobicContact CG2-CD1 4.29Å
540	A	91	Very high	89.3	Confident	2 Å²	2	36.4 Å²	36.4	2%	0.017	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-36.1	179.4	0	0	0	0	0	112.7	L536 Q537 A538 N543 L548 F551	L536-A540 WeakPolarHBondContact O-CB 3.39Å; L536-A540 PolarHBondContact O-N 3.2Å; Q537-A540 PolarHBondContact O-N 3.37Å; A538-A540 VanDerWaalsContact C-N 3.31Å; A538-A540 PolarHBondContact O-N 3.33Å; A540-N543 PolarHBondContact O-N 2.91Å; A540-L548 VanDerWaalsContact CB-O 3.26Å; A540-L548 WeakPolarHBondContact CB-O 3.43Å; A540-F551 HydrophobicContact CB-CB 4.43Å
541	K	86.9	Confident	89.5	Confident	59 Å²	59	38.4 Å²	38.4	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-72	-30.7	178.9	-71.9	-157.2	-168.9	178.8	0	113.5	A102 E106 Q537 A538 I539 N543	A102-K541 HydrophobicContact CB-CD 3.71Å; A102-K541 HydrophobicContact CB-CG 4.42Å; E106-K541 WeakPolarHBondContact OE1-CD 3.39Å; E106-K541 WeakPolarHBondContact OE1-CE 3.01Å; E106-K541 IonicContact OE1-NZ 2.63Å; E106-K541 PolarHBondContact OE1-NZ 3.25Å; E106-K541 IonicContact OE2-NZ 3.72Å; E106-K541 PolarHBondContact OE2-NZ 3.47Å; Q537-K541 WeakPolarHBondContact O-CG 3.29Å; Q537-K541 PolarHBondContact O-N 3.14Å; A538-K541 PolarHBondContact O-N 3.49Å; I539-K541 PolarHBondContact O-N 3.23Å; K541-N543 PolarHBondContact O-N 3Å; K541-N543 VanDerWaalsContact O-N 3.15Å; K541-N543 PolarHBondContact O-ND2 3.44Å
542	D	85.1	Confident	89.4	Confident	39 Å²	39	38.7 Å²	38.7	21%	0.209	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-10	174.4	-83.1	-4.7	0	0	0	113.2	Y192 A538 I539 I544	Y192-D542 WeakPolarHBondContact CE1-OD2 3.28Å; Y192-D542 VanDerWaalsContact CZ-OD2 3.24Å; Y192-D542 PolarHBondContact OH-OD2 3.1Å; A538-D542 PolarHBondContact O-N 3.08Å; I539-D542 PolarHBondContact O-N 3.36Å; D542-I544 HydrophobicContact CB-CG2 4.22Å; D542-I544 PolarHBondContact O-N 3.37Å; D542-I544 VanDerWaalsContact O-N 3.1Å
543	N	85.4	Confident	89.2	Confident	75 Å²	75	44.2 Å²	44.2	40%	0.401	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	31.2	179.5	-66.1	-74.2	0	0	0	113.5	A540 K541 I545	A540-N543 PolarHBondContact O-N 2.91Å; K541-N543 PolarHBondContact O-N 3Å; K541-N543 VanDerWaalsContact O-N 3.15Å; K541-N543 PolarHBondContact O-ND2 3.44Å; N543-I545 VanDerWaalsContact C-N 3.31Å
544	I	85.6	Confident	88.8	Confident	21 Å²	21	45.4 Å²	45.4	11%	0.108	23%	0.228	C	C	.	.	S	Bend	trans	-72.5	-27.7	174.1	51.1	164	0	0	0	112.2	P201 I539 D542 I658	P201-I544 HydrophobicContact CB-CG2 4.07Å; I539-I544 HydrophobicContact CG2-CD1 3.77Å; I539-I544 HydrophobicContact CG2-CG1 4.11Å; D542-I544 HydrophobicContact CB-CG2 4.22Å; D542-I544 PolarHBondContact O-N 3.37Å; D542-I544 VanDerWaalsContact O-N 3.1Å; I544-I658 HydrophobicContact CB-CG2 4.35Å; I544-I658 HydrophobicContact CD1-CD1 4.49Å
545	I	87.4	Confident	88.5	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.021	24%	0.235	C	C	.	.	S	Bend	trans	-129.5	103.3	-178.4	-62.5	173.5	0	0	0	107.9	L209 N543 F547 L548 Y657 I658	L209-I545 HydrophobicContact CD1-CD1 3.52Å; L209-I545 HydrophobicContact CG-CD1 4.46Å; N543-I545 VanDerWaalsContact C-N 3.31Å; I545-F547 VanDerWaalsContact C-N 3.32Å; I545-F547 HydrophobicContact CG2-CD1 3.44Å; I545-F547 VanDerWaalsContact CG2-CD1 3.44Å; I545-F547 HydrophobicContact CG2-CD2 4.09Å; I545-F547 HydrophobicContact CG2-CE1 3.12Å; I545-F547 HydrophobicContact CG2-CE2 3.81Å; I545-F547 HydrophobicContact CG2-CG 3.92Å; I545-F547 HydrophobicContact CG2-CZ 3.32Å; I545-F547 PolarHBondContact O-N 3.06Å; I545-L548 HydrophobicContact CB-CB 4.38Å; I545-L548 HydrophobicContact CB-CD1 3.97Å; I545-L548 HydrophobicContact CB-CG 4.18Å; I545-L548 HydrophobicContact CD1-CD1 3.85Å; I545-L548 HydrophobicContact CG2-CB 4.24Å; I545-L548 HydrophobicContact CG2-CD1 3.87Å; I545-L548 HydrophobicContact CG2-CG 3.72Å; I545-L548 PolarHBondContact O-N 3.1Å; I545-L548 VanDerWaalsContact O-N 3.11Å; I545-Y657 HydrophobicContact CG2-CE1 4.26Å; I545-I658 HydrophobicContact CD1-CD1 4.29Å; I545-I658 HydrophobicContact CD1-CG1 4.32Å; I545-I658 HydrophobicContact CG1-CG1 4.06Å
546	P	86.4	Confident	87.8	Confident	62 Å²	62	50.8 Å²	50.8	40%	0.403	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-57.6	-38	-171.8	-29.2	35	0	0	0	114.7	L548 R549	P546-L548 VanDerWaalsContact C-N 3.27Å; P546-L548 PolarHBondContact O-N 3.37Å; P546-R549 VanDerWaalsContact O-CB 3.25Å; P546-R549 WeakPolarHBondContact O-CB 3.46Å; P546-R549 PolarHBondContact O-N 2.97Å
547	F	90.1	Very high	86.8	Confident	134 Å²	134	55.8 Å²	55.8	59%	0.588	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-71.6	-18.6	-178.1	66.6	-101	0	0	0	113.7	I545 R549 Y657	I545-F547 VanDerWaalsContact C-N 3.32Å; I545-F547 HydrophobicContact CG2-CD1 3.44Å; I545-F547 VanDerWaalsContact CG2-CD1 3.44Å; I545-F547 HydrophobicContact CG2-CD2 4.09Å; I545-F547 HydrophobicContact CG2-CE1 3.12Å; I545-F547 HydrophobicContact CG2-CE2 3.81Å; I545-F547 HydrophobicContact CG2-CG 3.92Å; I545-F547 HydrophobicContact CG2-CZ 3.32Å; I545-F547 PolarHBondContact O-N 3.06Å; F547-R549 VanDerWaalsContact C-N 3.28Å; F547-R549 PolarHBondContact O-N 3.38Å; F547-Y657 HydrophobicContact CE1-CE1 4.22Å
548	L	90.5	Very high	86.1	Confident	14 Å²	14	56.4 Å²	56.4	7%	0.073	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-82.3	-3.5	176.6	-67.5	179.8	0	0	0	113.2	L209 L536 I539 A540 I545 P546 V550 F551	L209-L548 HydrophobicContact CD2-CD1 4.01Å; L536-L548 HydrophobicContact CD1-CD1 4.36Å; I539-L548 HydrophobicContact CG2-CD1 4.29Å; A540-L548 VanDerWaalsContact CB-O 3.26Å; A540-L548 WeakPolarHBondContact CB-O 3.43Å; I545-L548 HydrophobicContact CB-CB 4.38Å; I545-L548 HydrophobicContact CB-CD1 3.97Å; I545-L548 HydrophobicContact CB-CG 4.18Å; I545-L548 HydrophobicContact CD1-CD1 3.85Å; I545-L548 HydrophobicContact CG2-CB 4.24Å; I545-L548 HydrophobicContact CG2-CD1 3.87Å; I545-L548 HydrophobicContact CG2-CG 3.72Å; I545-L548 PolarHBondContact O-N 3.1Å; I545-L548 VanDerWaalsContact O-N 3.11Å; P546-L548 VanDerWaalsContact C-N 3.27Å; P546-L548 PolarHBondContact O-N 3.37Å; L548-V550 PolarHBondContact O-N 3.36Å; L548-V550 VanDerWaalsContact O-N 3.1Å; L548-F551 HydrophobicContact CB-CD2 4.32Å; L548-F551 HydrophobicContact CD2-CD2 3.71Å; L548-F551 HydrophobicContact CD2-CE2 3.79Å; L548-F551 WeakPolarHBondContact O-CB 3.42Å; L548-F551 PolarHBondContact O-N 3.46Å
549	R	89.3	Confident	86	Confident	179 Å²	179	57.5 Å²	57.5	68%	0.675	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-55.4	-32.4	-175.9	-172.7	176.3	179.1	-174.9	1	113.9	P546 F547 F551 G552	P546-R549 VanDerWaalsContact O-CB 3.25Å; P546-R549 WeakPolarHBondContact O-CB 3.46Å; P546-R549 PolarHBondContact O-N 2.97Å; F547-R549 VanDerWaalsContact C-N 3.28Å; F547-R549 PolarHBondContact O-N 3.38Å; R549-F551 PolarHBondContact O-N 3.25Å; R549-G552 PolarHBondContact O-N 3.19Å; R549-G552 VanDerWaalsContact O-N 3.11Å
550	V	92.1	Very high	85.9	Confident	91 Å²	91	58.1 Å²	58.1	55%	0.552	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-59.3	-33.8	177.8	180	0	0	0	0	111.8	L548 G552	L548-V550 PolarHBondContact O-N 3.36Å; L548-V550 VanDerWaalsContact O-N 3.1Å; V550-G552 PolarHBondContact O-N 2.88Å
551	F	92.6	Very high	85.8	Confident	46 Å²	46	59.6 Å²	59.6	20%	0.202	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-77.9	-6.5	-179	-56.3	-66.2	0	0	0	113.8	L536 A540 L548 R549 H553 W562 A563 L566	L536-F551 HydrophobicContact CD2-CB 4.14Å; L536-F551 HydrophobicContact CD2-CD1 4.48Å; L536-F551 HydrophobicContact CD2-CG 4.13Å; L536-F551 HydrophobicContact CG-CB 4.2Å; A540-F551 HydrophobicContact CB-CB 4.43Å; L548-F551 HydrophobicContact CB-CD2 4.32Å; L548-F551 HydrophobicContact CD2-CD2 3.71Å; L548-F551 HydrophobicContact CD2-CE2 3.79Å; L548-F551 WeakPolarHBondContact O-CB 3.42Å; L548-F551 PolarHBondContact O-N 3.46Å; R549-F551 PolarHBondContact O-N 3.25Å; F551-H553 VanDerWaalsContact C-N 3.26Å; F551-H553 PolarHBondContact O-N 2.91Å; F551-W562 HydrophobicContact CD1-CB 3.97Å; F551-W562 HydrophobicContact CE1-CB 4.49Å; F551-A563 HydrophobicContact CB-CB 4.34Å; F551-L566 HydrophobicContact CD1-CB 4.47Å; F551-L566 HydrophobicContact CD1-CD2 4.36Å; F551-L566 HydrophobicContact CE1-CB 4.01Å; F551-L566 HydrophobicContact CE1-CD2 3.9Å; F551-L566 HydrophobicContact CE1-CG 4.41Å; F551-L566 HydrophobicContact CE2-CD2 4.17Å; F551-L566 HydrophobicContact CZ-CD2 3.8Å
552	G	86.3	Confident	86.1	Confident	15 Å²	15	63 Å²	63	16%	0.155	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-74.7	-12.9	174.2	0	0	0	0	0	114.1	R549 V550 G554	R549-G552 PolarHBondContact O-N 3.19Å; R549-G552 VanDerWaalsContact O-N 3.11Å; V550-G552 PolarHBondContact O-N 2.88Å; G552-G554 PolarHBondContact O-N 2.74Å
553	H	88.5	Confident	86.4	Confident	116 Å²	116	61.2 Å²	61.2	54%	0.537	32%	0.323	S	S	.	.			trans	-66.2	129.2	-178.9	-169.6	84.3	0	0	0	111.7	F551	F551-H553 VanDerWaalsContact C-N 3.26Å; F551-H553 PolarHBondContact O-N 2.91Å
554	G	83.1	Confident	86.8	Confident	26 Å²	26	58.3 Å²	58.3	27%	0.268	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-134	156.5	177.9	0	0	0	0	0	112.5	G552 E559	G552-G554 PolarHBondContact O-N 2.74Å; G554-E559 CarbonylContact C-O 3.59Å; G554-E559 VanDerWaalsContact CA-O 3.25Å; G554-E559 WeakPolarHBondContact CA-O 3.45Å
555	K	83.3	Confident	87.2	Confident	73 Å²	73	61.9 Å²	61.9	32%	0.317	33%	0.327	S	S	.	.			trans	-62.6	167.5	169.6	-65.5	-179	-177	173.3	0	110.1	F273 N557 G558 E559 T561	F273-K555 PolarHBondContact O-NZ 3.17Å; K555-N557 PolarHBondContact O-N 3.22Å; K555-G558 PolarHBondContact O-N 2.86Å; K555-E559 PolarHBondContact N-O 2.76Å; K555-T561 HydrophobicContact CD-CG2 4.38Å; K555-T561 HydrophobicContact CG-CG2 3.82Å
556	A	77	Confident	87.6	Confident	100 Å²	100	64 Å²	64	83%	0.826	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-28.4	173.9	0	0	0	0	0	113.7	K103 G558	K103-A556 PolarHBondContact NZ-O 3.28Å; A556-G558 VanDerWaalsContact C-N 3.25Å; A556-G558 PolarHBondContact O-N 3.01Å
557	N	72.1	Confident	88	Confident	108 Å²	108	61 Å²	61	58%	0.578	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.9	177.6	-64.3	-8.4	0	0	0	113.7	K103 K555 E559	K103-N557 WeakPolarHBondContact CD-O 3.49Å; K103-N557 VanDerWaalsContact NZ-C 3.28Å; K103-N557 PolarHBondContact NZ-O 2.92Å; K103-N557 VanDerWaalsContact NZ-O 3.08Å; K555-N557 PolarHBondContact O-N 3.22Å; N557-E559 HydrophobicContact CB-CG 4.48Å
558	G	77.3	Confident	88.3	Confident	17 Å²	17	55.3 Å²	55.3	18%	0.175	30%	0.297	C	S	.	.	S	Bend	trans	93.2	-3.6	-174.8	0	0	0	0	0	114.3	Q537 K555 A556	Q537-G558 PolarHBondContact NE2-O 3.02Å; Q537-G558 PolarHBondContact OE1-O 3.46Å; K555-G558 PolarHBondContact O-N 2.86Å; A556-G558 VanDerWaalsContact C-N 3.25Å; A556-G558 PolarHBondContact O-N 3.01Å
559	E	84.4	Confident	88.5	Confident	27 Å²	27	59.7 Å²	59.7	13%	0.126	32%	0.32	C	S	.	.			trans	-75.6	129.5	-176.5	-66.6	177.3	157.5	0	0	111.6	V276 G554 K555 N557	V276-E559 PolarHBondContact N-OE1 3.39Å; G554-E559 CarbonylContact C-O 3.59Å; G554-E559 VanDerWaalsContact CA-O 3.25Å; G554-E559 WeakPolarHBondContact CA-O 3.45Å; K555-E559 PolarHBondContact N-O 2.76Å; N557-E559 HydrophobicContact CB-CG 4.48Å
560	P	88.9	Confident	88.8	Confident	13 Å²	13	52.6 Å²	52.6	8%	0.084	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-79	133.5	-176.7	30.8	-34.7	0	0	0	112.3	P533 Q537 A563 L564	P533-P560 HydrophobicContact CB-CB 4.46Å; P533-P560 HydrophobicContact CB-CG 3.61Å; Q537-P560 HydrophobicContact CB-CB 4.09Å; Q537-P560 HydrophobicContact CG-CB 4.24Å; P560-A563 HydrophobicContact CB-CB 3.92Å; P560-L564 WeakPolarHBondContact O-CB 3.34Å
561	T	89.4	Confident	89	Confident	32 Å²	32	48.3 Å²	48.3	20%	0.196	27%	0.269	C	S	.	.	S	Bend	trans	-95.8	-59.7	-179.7	53	0	0	0	0	112	F273 K555 A563 L564 L565	F273-T561 HydrophobicContact CE2-CG2 4.2Å; K555-T561 HydrophobicContact CD-CG2 4.38Å; K555-T561 HydrophobicContact CG-CG2 3.82Å; T561-A563 VanDerWaalsContact C-N 3.34Å; T561-A563 PolarHBondContact O-N 2.97Å; T561-L564 PolarHBondContact O-N 2.92Å; T561-L565 PolarHBondContact O-N 3.36Å; T561-L565 VanDerWaalsContact O-N 3.14Å
562	W	92.6	Very high	89.2	Confident	132 Å²	132	48 Å²	48	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-35.3	-178.8	-66.5	117.5	0	0	0	112.8	F551 L564 L565 L566	F551-W562 HydrophobicContact CD1-CB 3.97Å; F551-W562 HydrophobicContact CE1-CB 4.49Å; W562-L564 VanDerWaalsContact C-N 3.33Å; W562-L565 HydrophobicContact CE3-CD2 3.88Å; W562-L565 HydrophobicContact CZ3-CD2 3.86Å; W562-L565 PolarHBondContact O-N 3.42Å; W562-L566 PolarHBondContact O-N 2.9Å
563	A	93.3	Very high	89.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67.8	-34.4	176.2	0	0	0	0	0	112.2	P533 L536 F551 P560 T561 T567	P533-A563 HydrophobicContact CB-CB 4.06Å; L536-A563 HydrophobicContact CB-CB 4.27Å; L536-A563 HydrophobicContact CD2-CB 3.95Å; L536-A563 HydrophobicContact CG-CB 4.31Å; F551-A563 HydrophobicContact CB-CB 4.34Å; P560-A563 HydrophobicContact CB-CB 3.92Å; T561-A563 VanDerWaalsContact C-N 3.34Å; T561-A563 PolarHBondContact O-N 2.97Å; A563-T567 WeakPolarHBondContact O-CB 3.41Å; A563-T567 PolarHBondContact O-N 3.45Å; A563-T567 PolarHBondContact O-OG1 3.27Å
564	L	93.6	Very high	89.8	Confident	15 Å²	15	46.8 Å²	46.8	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-42.8	174.3	179.5	65.1	0	0	0	110.8	V272 F273 L529 P533 P560 T561 W562 T567 G568	V272-L564 HydrophobicContact CB-CD1 4.38Å; V272-L564 HydrophobicContact CB-CD2 4.48Å; V272-L564 HydrophobicContact CG1-CD1 3.76Å; V272-L564 HydrophobicContact CG1-CD2 4.01Å; F273-L564 HydrophobicContact CB-CD2 3.98Å; F273-L564 HydrophobicContact CD2-CD2 4.27Å; L529-L564 HydrophobicContact CD1-CD1 4.49Å; L529-L564 HydrophobicContact CG-CD1 4.34Å; P533-L564 HydrophobicContact CB-CB 4.34Å; P533-L564 HydrophobicContact CG-CB 4.24Å; P533-L564 HydrophobicContact CG-CD1 3.84Å; P560-L564 WeakPolarHBondContact O-CB 3.34Å; T561-L564 PolarHBondContact O-N 2.92Å; W562-L564 VanDerWaalsContact C-N 3.33Å; L564-T567 PolarHBondContact O-N 3.12Å; L564-G568 PolarHBondContact O-N 2.97Å
565	L	94	Very high	90.4	Very high	96 Å²	96	45.6 Å²	45.6	50%	0.503	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-47.5	175.4	-175.5	67.7	0	0	0	111.6	T561 W562 T567 G568 L569	T561-L565 PolarHBondContact O-N 3.36Å; T561-L565 VanDerWaalsContact O-N 3.14Å; W562-L565 HydrophobicContact CE3-CD2 3.88Å; W562-L565 HydrophobicContact CZ3-CD2 3.86Å; W562-L565 PolarHBondContact O-N 3.42Å; L565-T567 VanDerWaalsContact C-N 3.33Å; L565-T567 PolarHBondContact O-N 2.96Å; L565-G568 PolarHBondContact O-N 3.34Å; L565-L569 HydrophobicContact CG-CD1 4.42Å; L565-L569 WeakPolarHBondContact O-CG 3.39Å; L565-L569 PolarHBondContact O-N 2.98Å
566	L	94.8	Very high	91	Very high	47 Å²	47	46 Å²	46	25%	0.246	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-43.2	177.7	-176.2	66.8	0	0	0	111.8	L536 F551 W562 G568 L569 I570	L536-L566 HydrophobicContact CD2-CD2 3.67Å; F551-L566 HydrophobicContact CD1-CB 4.47Å; F551-L566 HydrophobicContact CD1-CD2 4.36Å; F551-L566 HydrophobicContact CE1-CB 4.01Å; F551-L566 HydrophobicContact CE1-CD2 3.9Å; F551-L566 HydrophobicContact CE1-CG 4.41Å; F551-L566 HydrophobicContact CE2-CD2 4.17Å; F551-L566 HydrophobicContact CZ-CD2 3.8Å; W562-L566 PolarHBondContact O-N 2.9Å; L566-G568 VanDerWaalsContact C-N 3.34Å; L566-G568 PolarHBondContact O-N 3.37Å; L566-L569 PolarHBondContact O-N 2.98Å; L566-I570 HydrophobicContact CD1-CD1 4.21Å; L566-I570 HydrophobicContact CD1-CG1 4.47Å; L566-I570 HydrophobicContact CD2-CD1 4.44Å; L566-I570 HydrophobicContact CG-CD1 3.93Å; L566-I570 WeakPolarHBondContact O-CG1 3.42Å; L566-I570 PolarHBondContact O-N 2.97Å
567	T	95.3	Very high	91.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-42	178.2	-55.2	0	0	0	0	111	Y212 T216 L529 A532 P533 A563 L564 L565 I570 A571	Y212-T567 WeakPolarHBondContact CE2-OG1 3.33Å; Y212-T567 PolarHBondContact OH-OG1 3.17Å; T216-T567 HydrophobicContact CG2-CG2 3.76Å; T216-T567 WeakPolarHBondContact CG2-O 3.42Å; L529-T567 HydrophobicContact CD1-CG2 4.04Å; A532-T567 HydrophobicContact CB-CG2 3.87Å; P533-T567 HydrophobicContact CG-CG2 4.17Å; A563-T567 WeakPolarHBondContact O-CB 3.41Å; A563-T567 PolarHBondContact O-N 3.45Å; A563-T567 PolarHBondContact O-OG1 3.27Å; L564-T567 PolarHBondContact O-N 3.12Å; L565-T567 VanDerWaalsContact C-N 3.33Å; L565-T567 PolarHBondContact O-N 2.96Å; T567-I570 PolarHBondContact O-N 3.45Å; T567-A571 VanDerWaalsContact O-CB 3.23Å; T567-A571 WeakPolarHBondContact O-CB 3.46Å; T567-A571 PolarHBondContact O-N 3.24Å
568	G	95.4	Very high	92.6	Very high	15 Å²	15	39.4 Å²	39.4	16%	0.155	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-45.1	173.2	0	0	0	0	0	112.4	L564 L565 L566 A571 E572	L564-G568 PolarHBondContact O-N 2.97Å; L565-G568 PolarHBondContact O-N 3.34Å; L566-G568 VanDerWaalsContact C-N 3.34Å; L566-G568 PolarHBondContact O-N 3.37Å; G568-A571 PolarHBondContact O-N 3.11Å; G568-E572 WeakPolarHBondContact O-CB 3.5Å; G568-E572 PolarHBondContact O-N 3.1Å
569	L	95.5	Very high	93.1	Very high	106 Å²	106	40 Å²	40	56%	0.555	21%	0.207	S	C	*	.	H	α-helix	trans	-63.7	-42.1	178.3	-70.3	171.5	0	0	0	112.7	L565 L566 E572 L573	L565-L569 HydrophobicContact CG-CD1 4.42Å; L565-L569 WeakPolarHBondContact O-CG 3.39Å; L565-L569 PolarHBondContact O-N 2.98Å; L566-L569 PolarHBondContact O-N 2.98Å; L569-E572 WeakPolarHBondContact O-CB 3.42Å; L569-E572 PolarHBondContact O-N 3.32Å; L569-L573 PolarHBondContact O-N 3.45Å
570	I	95.9	Very high	93.3	Very high	30 Å²	30	39 Å²	39	15%	0.154	20%	0.203	C	C	.	.	H	α-helix	trans	-71.1	-39.6	177.9	-63.2	169.7	0	0	0	110.7	Y212 L213 T216 F217 L566 T567 E572 L573 G574	Y212-I570 HydrophobicContact CE1-CD1 4.07Å; L213-I570 HydrophobicContact CD2-CD1 4.35Å; T216-I570 HydrophobicContact CG2-CB 3.71Å; T216-I570 HydrophobicContact CG2-CG2 3.62Å; F217-I570 HydrophobicContact CE2-CG2 4.2Å; F217-I570 HydrophobicContact CZ-CG2 4.27Å; L566-I570 HydrophobicContact CD1-CD1 4.21Å; L566-I570 HydrophobicContact CD1-CG1 4.47Å; L566-I570 HydrophobicContact CD2-CD1 4.44Å; L566-I570 HydrophobicContact CG-CD1 3.93Å; L566-I570 WeakPolarHBondContact O-CG1 3.42Å; L566-I570 PolarHBondContact O-N 2.97Å; T567-I570 PolarHBondContact O-N 3.45Å; I570-E572 VanDerWaalsContact C-N 3.28Å; I570-E572 PolarHBondContact O-N 3.33Å; I570-L573 WeakPolarHBondContact O-CB 3.41Å; I570-L573 PolarHBondContact O-N 3.41Å; I570-G574 PolarHBondContact O-N 3.47Å
571	A	95.8	Very high	93.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-37.5	175	0	0	0	0	0	111.6	T216 A220 L265 T567 G568 L573 G574 I575	T216-A571 HydrophobicContact CG2-CB 4.16Å; A220-A571 WeakPolarHBondContact CB-O 3.39Å; L265-A571 HydrophobicContact CD1-CB 4.11Å; L265-A571 HydrophobicContact CD2-CB 4.12Å; T567-A571 VanDerWaalsContact O-CB 3.23Å; T567-A571 WeakPolarHBondContact O-CB 3.46Å; T567-A571 PolarHBondContact O-N 3.24Å; G568-A571 PolarHBondContact O-N 3.11Å; A571-L573 VanDerWaalsContact C-N 3.31Å; A571-L573 PolarHBondContact O-N 3.4Å; A571-G574 WeakPolarHBondContact O-CA 3.26Å; A571-G574 PolarHBondContact O-N 3.2Å; A571-I575 PolarHBondContact O-N 3.48Å
572	E	96.2	Very high	93.4	Very high	40 Å²	40	42.7 Å²	42.7	19%	0.187	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-39.8	175	-174	61.4	-159.9	0	0	111.8	T262 L265 G568 L569 I570 G574 I575 L576	T262-E572 WeakPolarHBondContact CB-OE1 3.42Å; T262-E572 VanDerWaalsContact CG2-OE1 3.29Å; T262-E572 WeakPolarHBondContact CG2-OE1 3.48Å; T262-E572 PolarHBondContact OG1-OE1 3.3Å; L265-E572 HydrophobicContact CD2-CB 4.04Å; L265-E572 WeakPolarHBondContact CD2-OE2 3.45Å; G568-E572 WeakPolarHBondContact O-CB 3.5Å; G568-E572 PolarHBondContact O-N 3.1Å; L569-E572 WeakPolarHBondContact O-CB 3.42Å; L569-E572 PolarHBondContact O-N 3.32Å; I570-E572 VanDerWaalsContact C-N 3.28Å; I570-E572 PolarHBondContact O-N 3.33Å; E572-G574 PolarHBondContact O-N 3.5Å; E572-I575 PolarHBondContact O-N 2.97Å; E572-L576 WeakPolarHBondContact O-CG 3.33Å; E572-L576 PolarHBondContact O-N 3.25Å
573	L	95.1	Very high	93.4	Very high	106 Å²	106	36.4 Å²	36.4	56%	0.555	19%	0.194	S	C	*	.	H	α-helix	trans	-57.6	-38.8	172.9	-63.1	174.5	0	0	0	111.9	L569 I570 A571	L569-L573 PolarHBondContact O-N 3.45Å; I570-L573 WeakPolarHBondContact O-CB 3.41Å; I570-L573 PolarHBondContact O-N 3.41Å; A571-L573 VanDerWaalsContact C-N 3.31Å; A571-L573 PolarHBondContact O-N 3.4Å
574	G	93.8	Very high	93.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-37.6	174.1	0	0	0	0	0	113.2	I570 A571 E572 I577 V583	I570-G574 PolarHBondContact O-N 3.47Å; A571-G574 WeakPolarHBondContact O-CA 3.26Å; A571-G574 PolarHBondContact O-N 3.2Å; E572-G574 PolarHBondContact O-N 3.5Å; G574-I577 WeakPolarHBondContact O-CB 3.22Å; G574-I577 PolarHBondContact O-N 3.01Å; G574-V583 WeakPolarHBondContact O-CG2 3.38Å
575	I	95.5	Very high	92.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.7	-36.7	178	-66.4	179.5	0	0	0	111.6	A220 I223 L224 L265 A571 E572 I577 A578	A220-I575 HydrophobicContact CB-CG1 4.1Å; I223-I575 HydrophobicContact CB-CD1 4.43Å; I223-I575 HydrophobicContact CD1-CD1 4.29Å; I223-I575 HydrophobicContact CG2-CD1 3.96Å; L224-I575 HydrophobicContact CD2-CG2 4.34Å; L265-I575 HydrophobicContact CB-CD1 3.62Å; L265-I575 HydrophobicContact CD2-CD1 3.78Å; L265-I575 HydrophobicContact CG-CD1 4.17Å; A571-I575 PolarHBondContact O-N 3.48Å; E572-I575 PolarHBondContact O-N 2.97Å; I575-I577 PolarHBondContact O-N 2.87Å; I575-A578 VanDerWaalsContact O-CA 3.26Å; I575-A578 WeakPolarHBondContact O-CA 3.2Å; I575-A578 PolarHBondContact O-N 2.88Å
576	L	94.9	Very high	92.7	Very high	82 Å²	82	34.9 Å²	34.9	43%	0.429	19%	0.187	S	C	.	.	H	α-helix	trans	-63.1	-27.2	178	-70.1	174.7	0	0	0	113.2	R258 E572 A578	R258-L576 PolarHBondContact NE-O 2.82Å; R258-L576 PolarHBondContact NH2-O 3.37Å; E572-L576 WeakPolarHBondContact O-CG 3.33Å; E572-L576 PolarHBondContact O-N 3.25Å; L576-A578 PolarHBondContact O-N 2.91Å
577	I	93.1	Very high	92.5	Very high	65 Å²	65	32.6 Å²	32.6	33%	0.333	18%	0.175	S	C	.	.	H	α-helix	trans	-62.4	-29.8	170.8	-63	168.9	0	0	0	110.8	G574 I575 S579 M582 V583 I586	G574-I577 WeakPolarHBondContact O-CB 3.22Å; G574-I577 PolarHBondContact O-N 3.01Å; I575-I577 PolarHBondContact O-N 2.87Å; I577-S579 PolarHBondContact O-N 3.26Å; I577-M582 HydrophobicContact CG2-CB 3.92Å; I577-V583 HydrophobicContact CB-CG2 4.03Å; I577-V583 HydrophobicContact CD1-CG2 4.29Å; I577-V583 HydrophobicContact CG2-CG2 3.97Å; I577-I586 HydrophobicContact CD1-CD1 4Å
578	A	89.7	Confident	92.3	Very high	5 Å²	5	32.7 Å²	32.7	4%	0.041	18%	0.176	C	C	.	.			trans	64.8	-21.7	172.2	0	0	0	0	0	117.1	L254 M257 R258 I575 L576	L254-A578 HydrophobicContact CB-CB 4.15Å; L254-A578 HydrophobicContact CD2-CB 3.92Å; M257-A578 HydrophobicContact CB-CB 4.27Å; R258-A578 HydrophobicContact CG-CB 3.66Å; I575-A578 VanDerWaalsContact O-CA 3.26Å; I575-A578 WeakPolarHBondContact O-CA 3.2Å; I575-A578 PolarHBondContact O-N 2.88Å; L576-A578 PolarHBondContact O-N 2.91Å
579	S	88.7	Confident	92.1	Very high	30 Å²	30	32.6 Å²	32.6	21%	0.21	17%	0.172	C	C	.	.			trans	-97	118.3	177.6	178.8	0	0	0	0	111.5	I577 D581 M582 V583	I577-S579 PolarHBondContact O-N 3.26Å; S579-D581 PolarHBondContact O-N 3.29Å; S579-M582 PolarHBondContact O-N 3.01Å; S579-V583 WeakPolarHBondContact O-CG2 3.01Å; S579-V583 PolarHBondContact O-N 3.41Å
580	L	88.1	Confident	92	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-56.5	-40	176.1	-174.7	154.8	0	0	0	111.8	V141 I142 R146 M221 M582 V583 A584	V141-L580 HydrophobicContact CG1-CD1 4.32Å; V141-L580 HydrophobicContact CG2-CD1 4.43Å; I142-L580 HydrophobicContact CD1-CD2 4.08Å; R146-L580 HydrophobicContact CG-CD2 4.44Å; M221-L580 HydrophobicContact CG-CG 4.3Å; L580-M582 VanDerWaalsContact C-N 3.26Å; L580-M582 PolarHBondContact O-N 3.4Å; L580-V583 PolarHBondContact O-N 2.88Å; L580-A584 PolarHBondContact O-N 3.44Å
581	D	90.9	Very high	91.8	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-72.1	-21.5	-173.7	-52.9	-29.3	0	0	0	112.6	R146 I422 I432 K491 S579 P585	R146-D581 IonicContact CZ-OD1 3.5Å; R146-D581 IonicContact NE-OD1 2.75Å; R146-D581 PolarHBondContact NE-OD1 3.23Å; R146-D581 IonicContact NH2-OD1 3.41Å; R146-D581 PolarHBondContact NH2-OD1 3.04Å; I422-D581 HydrophobicContact CD1-CB 4.26Å; I432-D581 HydrophobicContact CD1-CB 4.15Å; K491-D581 WeakPolarHBondContact CE-OD2 3.45Å; K491-D581 IonicContact NZ-OD2 2.79Å; K491-D581 PolarHBondContact NZ-OD2 3.48Å; S579-D581 PolarHBondContact O-N 3.29Å; D581-P585 WeakPolarHBondContact O-CD 3.31Å
582	M	90.2	Very high	91.7	Very high	119 Å²	119	28.7 Å²	28.7	59%	0.586	15%	0.149	S	C	*	.	H	α-helix	trans	-87.3	-31.1	174.3	-64.9	-59.3	-65.7	0	0	112.3	I577 S579 L580	I577-M582 HydrophobicContact CG2-CB 3.92Å; S579-M582 PolarHBondContact O-N 3.01Å; L580-M582 VanDerWaalsContact C-N 3.26Å; L580-M582 PolarHBondContact O-N 3.4Å
583	V	91.4	Very high	91.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-74.6	-36.2	178.1	176.1	0	0	0	0	111.3	M221 L224 G574 I577 S579 L580 I586 L587	M221-V583 HydrophobicContact CB-CG1 4.15Å; L224-V583 HydrophobicContact CD1-CG2 3.98Å; G574-V583 WeakPolarHBondContact O-CG2 3.38Å; I577-V583 HydrophobicContact CB-CG2 4.03Å; I577-V583 HydrophobicContact CD1-CG2 4.29Å; I577-V583 HydrophobicContact CG2-CG2 3.97Å; S579-V583 WeakPolarHBondContact O-CG2 3.01Å; S579-V583 PolarHBondContact O-N 3.41Å; L580-V583 PolarHBondContact O-N 2.88Å; V583-I586 WeakPolarHBondContact O-CB 3.25Å; V583-I586 PolarHBondContact O-N 2.67Å; V583-L587 PolarHBondContact O-N 2.84Å; V583-L587 VanDerWaalsContact O-N 3.14Å
584	A	89.1	Confident	91.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.1	-48.6	-178.2	0	0	0	0	0	114.1	M221 P435 L580 I586 L587 S588	M221-A584 HydrophobicContact SD-CB 4.22Å; P435-A584 HydrophobicContact CG-CB 4.02Å; L580-A584 PolarHBondContact O-N 3.44Å; A584-I586 VanDerWaalsContact C-N 3.34Å; A584-I586 PolarHBondContact O-N 3.32Å; A584-L587 WeakPolarHBondContact O-CB 3.35Å; A584-L587 PolarHBondContact O-N 3.26Å; A584-S588 PolarHBondContact O-N 2.94Å; A584-S588 PolarHBondContact O-OG 3.03Å; A584-S588 VanDerWaalsContact O-OG 3.04Å
585	P	88.6	Confident	91.5	Very high	23 Å²	23	21.9 Å²	21.9	15%	0.149	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-35.8	175.7	-26.2	35.2	0	0	0	114.3	D581 L587 S588 M589	D581-P585 WeakPolarHBondContact O-CD 3.31Å; P585-L587 VanDerWaalsContact C-N 3.35Å; P585-S588 WeakPolarHBondContact O-CB 3.36Å; P585-S588 PolarHBondContact O-N 3.08Å; P585-M589 WeakPolarHBondContact O-CG 3.41Å; P585-M589 PolarHBondContact O-N 2.62Å; P585-M589 VanDerWaalsContact O-N 3.11Å
586	I	89.6	Confident	91.5	Very high	56 Å²	56	22.5 Å²	22.5	29%	0.287	12%	0.118	S	C	.	.	H	α-helix	trans	-62.4	-46.4	177.5	-62.6	171.5	0	0	0	109.9	F217 I577 V583 A584 S588 M589 F590	F217-I586 HydrophobicContact CD1-CG2 4.48Å; F217-I586 HydrophobicContact CE1-CG2 4.47Å; F217-I586 HydrophobicContact CZ-CG2 4.5Å; I577-I586 HydrophobicContact CD1-CD1 4Å; V583-I586 WeakPolarHBondContact O-CB 3.25Å; V583-I586 PolarHBondContact O-N 2.67Å; A584-I586 VanDerWaalsContact C-N 3.34Å; A584-I586 PolarHBondContact O-N 3.32Å; I586-S588 VanDerWaalsContact C-N 3.34Å; I586-S588 PolarHBondContact O-N 3.36Å; I586-M589 WeakPolarHBondContact O-CB 3.48Å; I586-M589 PolarHBondContact O-N 2.86Å; I586-F590 HydrophobicContact CG2-CD2 4.42Å; I586-F590 HydrophobicContact CG2-CE2 3.9Å; I586-F590 WeakPolarHBondContact O-CD2 3.25Å
587	L	90.4	Very high	91.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.9	-43.4	174.8	172.5	147.3	0	0	0	112.1	F217 A218 P435 V583 A584 P585 M589 F590 F591	F217-L587 HydrophobicContact CB-CB 4.35Å; A218-L587 HydrophobicContact CB-CD1 3.41Å; A218-L587 VanDerWaalsContact CB-CD1 3.41Å; A218-L587 VanDerWaalsContact N-CD1 3.34Å; P435-L587 HydrophobicContact CB-CD2 3.61Å; P435-L587 HydrophobicContact CG-CD2 3.62Å; V583-L587 PolarHBondContact O-N 2.84Å; V583-L587 VanDerWaalsContact O-N 3.14Å; A584-L587 WeakPolarHBondContact O-CB 3.35Å; A584-L587 PolarHBondContact O-N 3.26Å; P585-L587 VanDerWaalsContact C-N 3.35Å; L587-M589 PolarHBondContact O-N 3.49Å; L587-F590 PolarHBondContact O-N 3.45Å; L587-F591 HydrophobicContact CD1-CD2 4.44Å; L587-F591 HydrophobicContact CD1-CE2 3.94Å; L587-F591 HydrophobicContact CD2-CD2 3.52Å; L587-F591 HydrophobicContact CD2-CE2 3.77Å; L587-F591 HydrophobicContact CG-CD2 3.66Å; L587-F591 HydrophobicContact CG-CE2 3.65Å; L587-F591 WeakPolarHBondContact O-CD2 3.15Å; L587-F591 PolarHBondContact O-N 3.45Å; L587-F591 VanDerWaalsContact O-N 3.15Å
588	S	90.9	Very high	91.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	9%	0.088	C	C	.	.	H	α-helix	trans	-57.5	-37.6	178.8	-64.5	0	0	0	0	112	G431 P435 A584 P585 I586 F591 L592	G431-S588 PolarHBondContact O-OG 3.45Å; P435-S588 VanDerWaalsContact CD-OG 3.28Å; P435-S588 WeakPolarHBondContact CD-OG 3.4Å; P435-S588 WeakPolarHBondContact CG-OG 3.44Å; A584-S588 PolarHBondContact O-N 2.94Å; A584-S588 PolarHBondContact O-OG 3.03Å; A584-S588 VanDerWaalsContact O-OG 3.04Å; P585-S588 WeakPolarHBondContact O-CB 3.36Å; P585-S588 PolarHBondContact O-N 3.08Å; I586-S588 VanDerWaalsContact C-N 3.34Å; I586-S588 PolarHBondContact O-N 3.36Å; S588-F591 PolarHBondContact O-N 3Å; S588-L592 VanDerWaalsContact O-CB 3.26Å; S588-L592 WeakPolarHBondContact O-CB 3.4Å; S588-L592 VanDerWaalsContact O-CG 3.26Å; S588-L592 WeakPolarHBondContact O-CG 3.46Å; S588-L592 PolarHBondContact O-N 3.22Å
589	M	91.1	Very high	91.8	Very high	14 Å²	14	16.6 Å²	16.6	7%	0.069	9%	0.086	C	C	.	.	H	α-helix	trans	-60.6	-47.2	176.2	-67.5	-65.4	152.5	0	0	112.6	P585 I586 L587 M593 M636 S639	P585-M589 WeakPolarHBondContact O-CG 3.41Å; P585-M589 PolarHBondContact O-N 2.62Å; P585-M589 VanDerWaalsContact O-N 3.11Å; I586-M589 WeakPolarHBondContact O-CB 3.48Å; I586-M589 PolarHBondContact O-N 2.86Å; L587-M589 PolarHBondContact O-N 3.49Å; M589-M593 VanDerWaalsContact O-CB 3.27Å; M589-M593 WeakPolarHBondContact O-CB 3.49Å; M589-M593 PolarHBondContact O-N 2.99Å; M589-M636 HydrophobicContact SD-CG 3.5Å; M589-M636 WeakPolarHBondContact SD-CG 3.42Å; M589-S639 WeakPolarHBondContact CE-OG 3.48Å
590	F	92.4	Very high	92	Very high	43 Å²	43	17.9 Å²	17.9	19%	0.189	9%	0.09	C	C	.	.	H	α-helix	trans	-66	-40.8	-179.5	-69.3	-60.9	0	0	0	112.5	L213 F217 I586 L587 M593 C594	L213-F590 HydrophobicContact CB-CD1 3.97Å; L213-F590 HydrophobicContact CB-CD2 4.32Å; L213-F590 HydrophobicContact CB-CE1 4.04Å; L213-F590 HydrophobicContact CB-CE2 4.36Å; L213-F590 HydrophobicContact CB-CG 4.13Å; L213-F590 HydrophobicContact CB-CZ 4.23Å; L213-F590 HydrophobicContact CD1-CD1 4.26Å; L213-F590 HydrophobicContact CD1-CE1 3.72Å; L213-F590 HydrophobicContact CD1-CZ 4.18Å; F217-F590 AromaticContact CD2-CD2 3.99Å; F217-F590 HydrophobicContact CD2-CD2 3.99Å; F217-F590 AromaticContact CD2-CE2 3.63Å; F217-F590 HydrophobicContact CD2-CE2 3.63Å; F217-F590 HydrophobicContact CE2-CD2 4.41Å; F217-F590 AromaticContact CE2-CE2 3.6Å; F217-F590 HydrophobicContact CE2-CE2 3.6Å; F217-F590 HydrophobicContact CE2-CZ 4.26Å; I586-F590 HydrophobicContact CG2-CD2 4.42Å; I586-F590 HydrophobicContact CG2-CE2 3.9Å; I586-F590 WeakPolarHBondContact O-CD2 3.25Å; L587-F590 PolarHBondContact O-N 3.45Å; F590-M593 PolarHBondContact O-N 3Å; F590-C594 WeakPolarHBondContact O-CB 3.46Å; F590-C594 PolarHBondContact O-N 2.87Å
591	F	92.6	Very high	92.2	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.026	9%	0.088	C	C	.	.	H	α-helix	trans	-70.7	-41.9	176.9	-79.9	-68.1	0	0	0	112.8	F211 G214 T215 F434 T438 L587 S588 M593 C594 Y595	F211-F591 HydrophobicContact CD2-CD1 4.36Å; F211-F591 AromaticContact CD2-CE1 3.72Å; F211-F591 HydrophobicContact CD2-CE1 3.72Å; F211-F591 AromaticContact CE2-CE1 3.76Å; F211-F591 HydrophobicContact CE2-CE1 3.76Å; G214-F591 WeakPolarHBondContact O-CE2 3.48Å; T215-F591 HydrophobicContact CG2-CE1 4.47Å; T215-F591 HydrophobicContact CG2-CZ 4.08Å; F434-F591 HydrophobicContact CE1-CB 4.03Å; T438-F591 HydrophobicContact CG2-CB 3.92Å; T438-F591 HydrophobicContact CG2-CD1 4.45Å; T438-F591 HydrophobicContact CG2-CD2 3.93Å; T438-F591 HydrophobicContact CG2-CG 3.85Å; L587-F591 HydrophobicContact CD1-CD2 4.44Å; L587-F591 HydrophobicContact CD1-CE2 3.94Å; L587-F591 HydrophobicContact CD2-CD2 3.52Å; L587-F591 HydrophobicContact CD2-CE2 3.77Å; L587-F591 HydrophobicContact CG-CD2 3.66Å; L587-F591 HydrophobicContact CG-CE2 3.65Å; L587-F591 WeakPolarHBondContact O-CD2 3.15Å; L587-F591 PolarHBondContact O-N 3.45Å; L587-F591 VanDerWaalsContact O-N 3.15Å; S588-F591 PolarHBondContact O-N 3Å; F591-M593 VanDerWaalsContact C-N 3.27Å; F591-M593 PolarHBondContact O-N 2.94Å; F591-C594 WeakPolarHBondContact O-CB 3.4Å; F591-C594 PolarHBondContact O-N 3.42Å; F591-Y595 HydrophobicContact CB-CE2 4.34Å; F591-Y595 HydrophobicContact CD1-CE1 4.47Å; F591-Y595 WeakPolarHBondContact O-CD2 3.35Å; F591-Y595 PolarHBondContact O-N 3.29Å
592	L	93.8	Very high	92.3	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-60	-39.5	174.1	-78.4	168.8	0	0	0	111.5	F434 S588 Y595 L596 C632 L635 M636	F434-L592 HydrophobicContact CD1-CG 4.19Å; F434-L592 HydrophobicContact CD2-CD2 4.25Å; F434-L592 HydrophobicContact CE1-CD1 4.44Å; F434-L592 HydrophobicContact CE1-CD2 3.93Å; F434-L592 HydrophobicContact CE1-CG 3.61Å; F434-L592 HydrophobicContact CE2-CD2 3.47Å; F434-L592 VanDerWaalsContact CE2-CD2 3.47Å; F434-L592 HydrophobicContact CE2-CG 4.05Å; F434-L592 HydrophobicContact CZ-CD2 3.28Å; F434-L592 HydrophobicContact CZ-CG 3.54Å; S588-L592 VanDerWaalsContact O-CB 3.26Å; S588-L592 WeakPolarHBondContact O-CB 3.4Å; S588-L592 VanDerWaalsContact O-CG 3.26Å; S588-L592 WeakPolarHBondContact O-CG 3.46Å; S588-L592 PolarHBondContact O-N 3.22Å; L592-Y595 PolarHBondContact O-N 2.87Å; L592-L596 VanDerWaalsContact O-CB 3.24Å; L592-L596 WeakPolarHBondContact O-CB 3.29Å; L592-L596 PolarHBondContact O-N 2.77Å; L592-C632 HydrophobicContact CD2-CB 4.43Å; L592-L635 HydrophobicContact CD1-CB 3.87Å; L592-L635 HydrophobicContact CD2-CB 3.84Å; L592-L635 HydrophobicContact CD2-CD1 3.91Å; L592-M636 HydrophobicContact CB-CE 4.01Å; L592-M636 HydrophobicContact CD1-CB 4.39Å
593	M	92.9	Very high	92.5	Very high	4 Å²	4	12 Å²	12	2%	0.02	6%	0.061	C	C	.	.	H	α-helix	trans	-65.8	-43.2	175.1	169.5	167.1	-87.9	0	0	112.5	C210 M589 F590 F591 Y595 L596 F597 M636 A647 M648 A651	C210-M593 HydrophobicContact CB-CG 4.38Å; M589-M593 VanDerWaalsContact O-CB 3.27Å; M589-M593 WeakPolarHBondContact O-CB 3.49Å; M589-M593 PolarHBondContact O-N 2.99Å; F590-M593 PolarHBondContact O-N 3Å; F591-M593 VanDerWaalsContact C-N 3.27Å; F591-M593 PolarHBondContact O-N 2.94Å; M593-Y595 PolarHBondContact O-N 3.5Å; M593-L596 WeakPolarHBondContact O-CB 3.36Å; M593-L596 PolarHBondContact O-N 3.42Å; M593-F597 HydrophobicContact CE-CE2 4.4Å; M593-F597 HydrophobicContact CG-CD2 3.99Å; M593-F597 HydrophobicContact CG-CE2 3.62Å; M593-F597 VanDerWaalsContact O-CD2 3.3Å; M593-F597 WeakPolarHBondContact O-CD2 3.38Å; M593-F597 PolarHBondContact O-N 2.91Å; M593-F597 VanDerWaalsContact O-N 3.13Å; M593-F597 HydrophobicContact SD-CE2 4.18Å; M593-M636 HydrophobicContact CB-CE 4.13Å; M593-A647 HydrophobicContact CE-CB 3.76Å; M593-A647 WeakPolarHBondContact CE-O 3.5Å; M593-A647 HydrophobicContact SD-CB 4.3Å; M593-M648 VanDerWaalsContact CE-CA 3.44Å; M593-M648 HydrophobicContact CE-CB 4.29Å; M593-M648 HydrophobicContact CE-CG 3.9Å; M593-M648 VanDerWaalsContact CE-N 3.27Å; M593-A651 HydrophobicContact CE-CB 3.67Å; M593-A651 HydrophobicContact SD-CB 3.64Å
594	C	92.8	Very high	92.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.1	-48.4	174.3	176.9	0	0	0	0	111.2	C210 M441 F590 F591 L596 F597 V598	C210-C594 HydrophobicContact CB-CB 4.31Å; M441-C594 WeakPolarHBondContact CE-SG 3.37Å; F590-C594 WeakPolarHBondContact O-CB 3.46Å; F590-C594 PolarHBondContact O-N 2.87Å; F591-C594 WeakPolarHBondContact O-CB 3.4Å; F591-C594 PolarHBondContact O-N 3.42Å; C594-L596 PolarHBondContact O-N 3.14Å; C594-F597 PolarHBondContact O-N 3.08Å; C594-V598 WeakPolarHBondContact O-CG2 3.42Å; C594-V598 PolarHBondContact O-N 3.44Å; C594-V598 VanDerWaalsContact O-N 3.15Å
595	Y	94.9	Very high	92.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.4	-34.8	179.1	-60.1	-17.4	0	0	0	112.7	T170 T173 F434 I440 M441 F591 L592 M593 V598 N599	T170-Y595 HydrophobicContact CG2-CE2 4.12Å; T173-Y595 HydrophobicContact CG2-CD1 3.83Å; T173-Y595 HydrophobicContact CG2-CG 3.85Å; F434-Y595 HydrophobicContact CE1-CE2 4.44Å; F434-Y595 HydrophobicContact CZ-CD2 4.05Å; F434-Y595 HydrophobicContact CZ-CE2 4.01Å; I440-Y595 HydrophobicContact CD1-CE1 4.08Å; I440-Y595 HydrophobicContact CG1-CE1 4.09Å; M441-Y595 HydrophobicContact CE-CD1 4.2Å; M441-Y595 HydrophobicContact CE-CE1 4.15Å; F591-Y595 HydrophobicContact CB-CE2 4.34Å; F591-Y595 HydrophobicContact CD1-CE1 4.47Å; F591-Y595 WeakPolarHBondContact O-CD2 3.35Å; F591-Y595 PolarHBondContact O-N 3.29Å; L592-Y595 PolarHBondContact O-N 2.87Å; M593-Y595 PolarHBondContact O-N 3.5Å; Y595-V598 PolarHBondContact O-N 3.41Å; Y595-N599 WeakPolarHBondContact O-CB 3.19Å; Y595-N599 PolarHBondContact O-N 3.31Å; Y595-N599 PolarHBondContact O-ND2 2.83Å; Y595-N599 VanDerWaalsContact O-ND2 3.11Å
596	L	95	Very high	92.7	Very high	13 Å²	13	16 Å²	16	7%	0.068	8%	0.084	C	C	.	.	H	α-helix	trans	-57.5	-50.1	173.2	178.1	70.1	0	0	0	111.1	L592 M593 C594 N599 L600 M629 C632 L633 M636	L592-L596 VanDerWaalsContact O-CB 3.24Å; L592-L596 WeakPolarHBondContact O-CB 3.29Å; L592-L596 PolarHBondContact O-N 2.77Å; M593-L596 WeakPolarHBondContact O-CB 3.36Å; M593-L596 PolarHBondContact O-N 3.42Å; C594-L596 PolarHBondContact O-N 3.14Å; L596-N599 PolarHBondContact O-N 3.35Å; L596-L600 VanDerWaalsContact O-CB 3.23Å; L596-L600 WeakPolarHBondContact O-CB 3.23Å; L596-L600 PolarHBondContact O-N 3.46Å; L596-M629 HydrophobicContact CD1-CB 4.35Å; L596-M629 HydrophobicContact CD1-CG 3.44Å; L596-M629 VanDerWaalsContact CD1-CG 3.44Å; L596-M629 WeakPolarHBondContact CD1-O 3.4Å; L596-C632 HydrophobicContact CB-CB 4.09Å; L596-C632 HydrophobicContact CD1-CB 4.2Å; L596-L633 HydrophobicContact CD1-CB 4.26Å; L596-M636 HydrophobicContact CD2-CE 4.05Å
597	F	93.8	Very high	92.6	Very high	27 Å²	27	18 Å²	18	12%	0.118	10%	0.095	C	C	.	.	H	α-helix	trans	-67.8	-38.7	-179	-74.4	-50.3	0	0	0	113.3	V207 M593 C594 L600 A601 A651	V207-F597 HydrophobicContact CG2-CB 3.58Å; V207-F597 HydrophobicContact CG2-CG 4.5Å; M593-F597 HydrophobicContact CE-CE2 4.4Å; M593-F597 HydrophobicContact CG-CD2 3.99Å; M593-F597 HydrophobicContact CG-CE2 3.62Å; M593-F597 VanDerWaalsContact O-CD2 3.3Å; M593-F597 WeakPolarHBondContact O-CD2 3.38Å; M593-F597 PolarHBondContact O-N 2.91Å; M593-F597 VanDerWaalsContact O-N 3.13Å; M593-F597 HydrophobicContact SD-CE2 4.18Å; C594-F597 PolarHBondContact O-N 3.08Å; F597-L600 HydrophobicContact CD1-CD2 4.37Å; F597-L600 PolarHBondContact O-N 3.31Å; F597-A601 VanDerWaalsContact O-CB 3.23Å; F597-A601 WeakPolarHBondContact O-CB 3.44Å; F597-A601 PolarHBondContact O-N 3.25Å; F597-A651 HydrophobicContact CE2-CB 3.54Å; F597-A651 HydrophobicContact CZ-CB 3.57Å
598	V	93.9	Very high	92.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-59.8	-48.7	174.6	170.5	0	0	0	0	110.5	T173 I180 I195 V207 M441 C594 Y595 C602	T173-V598 HydrophobicContact CG2-CG1 4.42Å; I180-V598 HydrophobicContact CD1-CG1 3.91Å; I195-V598 HydrophobicContact CD1-CG2 4.5Å; V207-V598 HydrophobicContact CG1-CG2 3.96Å; V207-V598 HydrophobicContact CG2-CG2 4.32Å; M441-V598 HydrophobicContact CE-CG2 3.99Å; C594-V598 WeakPolarHBondContact O-CG2 3.42Å; C594-V598 PolarHBondContact O-N 3.44Å; C594-V598 VanDerWaalsContact O-N 3.15Å; Y595-V598 PolarHBondContact O-N 3.41Å; V598-C602 PolarHBondContact O-N 3.46Å; V598-C602 PolarHBondContact O-SG 3.03Å; V598-C602 VanDerWaalsContact O-SG 3.33Å
599	N	96.3	Very high	91.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-42.9	179.5	-75	-34.5	0	0	0	112.8	T173 S176 Y595 L596 A603 S625 M629	T173-N599 WeakPolarHBondContact CA-OD1 3.44Å; T173-N599 PolarHBondContact OG1-ND2 3.09Å; S176-N599 VanDerWaalsContact CB-OD1 3.26Å; S176-N599 WeakPolarHBondContact CB-OD1 3.4Å; S176-N599 PolarHBondContact OG-OD1 3.37Å; Y595-N599 WeakPolarHBondContact O-CB 3.19Å; Y595-N599 PolarHBondContact O-N 3.31Å; Y595-N599 PolarHBondContact O-ND2 2.83Å; Y595-N599 VanDerWaalsContact O-ND2 3.11Å; L596-N599 PolarHBondContact O-N 3.35Å; N599-A603 PolarHBondContact O-N 3.25Å; N599-S625 WeakPolarHBondContact CB-O 3.41Å; N599-M629 HydrophobicContact CB-CB 3.96Å
600	L	94.2	Very high	91.3	Very high	56 Å²	56	32.2 Å²	32.2	29%	0.293	16%	0.156	S	C	.	.	H	α-helix	trans	-60.3	-49	176.6	173.3	64.4	0	0	0	111.3	L596 F597 C602 A603 V604 M629	L596-L600 VanDerWaalsContact O-CB 3.23Å; L596-L600 WeakPolarHBondContact O-CB 3.23Å; L596-L600 PolarHBondContact O-N 3.46Å; F597-L600 HydrophobicContact CD1-CD2 4.37Å; F597-L600 PolarHBondContact O-N 3.31Å; L600-C602 PolarHBondContact O-N 3.26Å; L600-A603 PolarHBondContact O-N 3.25Å; L600-V604 HydrophobicContact CD1-CG2 3.72Å; L600-V604 HydrophobicContact CG-CG2 4.31Å; L600-V604 WeakPolarHBondContact O-CB 3.37Å; L600-V604 VanDerWaalsContact O-CG2 3.28Å; L600-V604 WeakPolarHBondContact O-CG2 3.48Å; L600-V604 PolarHBondContact O-N 3.04Å; L600-M629 HydrophobicContact CB-CG 4.24Å; L600-M629 HydrophobicContact CB-SD 3.93Å; L600-M629 HydrophobicContact CD1-SD 3.5Å; L600-M629 WeakPolarHBondContact CD1-SD 3.44Å; L600-M629 HydrophobicContact CG-SD 4.28Å
601	A	91.9	Very high	90.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-47.5	-177.6	0	0	0	0	0	111.6	L199 F203 F597 A603 V604 Q605	L199-A601 HydrophobicContact CD1-CB 3.72Å; L199-A601 HydrophobicContact CD2-CB 4.09Å; L199-A601 HydrophobicContact CG-CB 4.43Å; F203-A601 HydrophobicContact CD1-CB 3.84Å; F203-A601 HydrophobicContact CD2-CB 4.3Å; F203-A601 HydrophobicContact CE1-CB 3.94Å; F203-A601 HydrophobicContact CE2-CB 4.39Å; F203-A601 HydrophobicContact CG-CB 4.03Å; F203-A601 HydrophobicContact CZ-CB 4.22Å; F597-A601 VanDerWaalsContact O-CB 3.23Å; F597-A601 WeakPolarHBondContact O-CB 3.44Å; F597-A601 PolarHBondContact O-N 3.25Å; A601-A603 VanDerWaalsContact C-N 3.34Å; A601-A603 PolarHBondContact O-N 3.14Å; A601-V604 PolarHBondContact O-N 3.3Å; A601-Q605 WeakPolarHBondContact O-CB 3.06Å; A601-Q605 WeakPolarHBondContact O-CG 3.4Å; A601-Q605 PolarHBondContact O-N 3.39Å
602	C	93.4	Very high	89.9	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-44	177.4	-68.2	0	0	0	0	112.6	V598 L600 T606 W613 Y620	V598-C602 PolarHBondContact O-N 3.46Å; V598-C602 PolarHBondContact O-SG 3.03Å; V598-C602 VanDerWaalsContact O-SG 3.33Å; L600-C602 PolarHBondContact O-N 3.26Å; C602-T606 PolarHBondContact O-N 3.21Å; C602-T606 PolarHBondContact O-OG1 3.38Å; C602-W613 HydrophobicContact CB-CH2 4.39Å; C602-W613 HydrophobicContact CB-CZ2 4.16Å; C602-Y620 HydrophobicContact CB-CE2 4.35Å; C602-Y620 PolarHBondContact O-OH 3.26Å
603	A	94.4	Very high	89.5	Confident	3 Å²	3	39.7 Å²	39.7	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-48.6	178.5	0	0	0	0	0	111.5	N599 L600 A601 T606 L607	N599-A603 PolarHBondContact O-N 3.25Å; L600-A603 PolarHBondContact O-N 3.25Å; A601-A603 VanDerWaalsContact C-N 3.34Å; A601-A603 PolarHBondContact O-N 3.14Å; A603-T606 PolarHBondContact O-N 3.15Å; A603-L607 WeakPolarHBondContact O-CB 3.47Å; A603-L607 VanDerWaalsContact O-CG 3.3Å; A603-L607 WeakPolarHBondContact O-CG 3.49Å; A603-L607 PolarHBondContact O-N 3.48Å
604	V	91.4	Very high	89.3	Confident	51 Å²	51	48.6 Å²	48.6	31%	0.309	23%	0.232	S	C	.	.	H	α-helix	trans	-64	-43.3	-178.2	170	0	0	0	0	111.6	L600 A601 T606 L607 L608	L600-V604 HydrophobicContact CD1-CG2 3.72Å; L600-V604 HydrophobicContact CG-CG2 4.31Å; L600-V604 WeakPolarHBondContact O-CB 3.37Å; L600-V604 VanDerWaalsContact O-CG2 3.28Å; L600-V604 WeakPolarHBondContact O-CG2 3.48Å; L600-V604 PolarHBondContact O-N 3.04Å; A601-V604 PolarHBondContact O-N 3.3Å; V604-T606 PolarHBondContact O-N 3.29Å; V604-L607 PolarHBondContact O-N 2.87Å; V604-L608 HydrophobicContact CG1-CD1 3.53Å; V604-L608 HydrophobicContact CG1-CG 4.09Å; V604-L608 WeakPolarHBondContact O-CB 3.49Å; V604-L608 WeakPolarHBondContact O-CG 3.43Å; V604-L608 PolarHBondContact O-N 3.05Å
605	Q	90.1	Very high	89.2	Confident	17 Å²	17	50.2 Å²	50.2	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-40.9	-179.9	-71.9	-173.6	-9.6	0	0	112.3	L199 A601 R609 T610 W613	L199-Q605 PolarHBondContact O-NE2 2.99Å; A601-Q605 WeakPolarHBondContact O-CB 3.06Å; A601-Q605 WeakPolarHBondContact O-CG 3.4Å; A601-Q605 PolarHBondContact O-N 3.39Å; Q605-R609 PolarHBondContact O-N 2.98Å; Q605-R609 VanDerWaalsContact O-N 3.12Å; Q605-T610 HydrophobicContact CB-CG2 4.2Å; Q605-T610 WeakPolarHBondContact CB-OG1 3.4Å; Q605-T610 HydrophobicContact CG-CG2 4.04Å; Q605-T610 PolarHBondContact O-N 3.33Å; Q605-T610 PolarHBondContact O-OG1 3.04Å; Q605-T610 VanDerWaalsContact O-OG1 3.05Å; Q605-W613 HydrophobicContact CB-CB 4.38Å; Q605-W613 HydrophobicContact CB-CD2 4.03Å; Q605-W613 HydrophobicContact CB-CG 3.9Å
606	T	89.9	Confident	88.9	Confident	40 Å²	40	58.5 Å²	58.5	25%	0.245	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-45.3	173.8	-48.7	0	0	0	0	111.9	C602 A603 V604 R609 W613 Y620 W622	C602-T606 PolarHBondContact O-N 3.21Å; C602-T606 PolarHBondContact O-OG1 3.38Å; A603-T606 PolarHBondContact O-N 3.15Å; V604-T606 PolarHBondContact O-N 3.29Å; T606-R609 PolarHBondContact O-N 2.88Å; T606-W613 PolarHBondContact OG1-NE1 3.28Å; T606-Y620 PolarHBondContact OG1-OH 3.43Å; T606-W622 HydrophobicContact CG2-CB 4.02Å
607	L	89.1	Confident	88.7	Confident	99 Å²	99	59.6 Å²	59.6	52%	0.518	28%	0.279	S	S	.	.	H	α-helix	trans	-67.5	-40.1	-178.9	-74.1	170.4	0	0	0	112.4	A603 V604 R609 W622	A603-L607 WeakPolarHBondContact O-CB 3.47Å; A603-L607 VanDerWaalsContact O-CG 3.3Å; A603-L607 WeakPolarHBondContact O-CG 3.49Å; A603-L607 PolarHBondContact O-N 3.48Å; V604-L607 PolarHBondContact O-N 2.87Å; L607-R609 VanDerWaalsContact C-N 3.26Å; L607-R609 PolarHBondContact O-N 2.93Å; L607-W622 HydrophobicContact CD1-CE3 4.37Å; L607-W622 HydrophobicContact CD2-CD2 4.05Å; L607-W622 HydrophobicContact CD2-CE3 4.18Å; L607-W622 HydrophobicContact CD2-CG 4.39Å; L607-W622 HydrophobicContact CG-CE3 4.49Å
608	L	83.9	Confident	88.5	Confident	78 Å²	78	67 Å²	67	41%	0.408	31%	0.311	S	S	.	.	H	α-helix	trans	-79.8	-6.1	179.5	-67.2	-179.4	0	0	0	113.7	V604 T610	V604-L608 HydrophobicContact CG1-CD1 3.53Å; V604-L608 HydrophobicContact CG1-CG 4.09Å; V604-L608 WeakPolarHBondContact O-CB 3.49Å; V604-L608 WeakPolarHBondContact O-CG 3.43Å; V604-L608 PolarHBondContact O-N 3.05Å; L608-T610 VanDerWaalsContact C-N 3.32Å; L608-T610 PolarHBondContact O-N 3.09Å
609	R	80.9	Confident	88.5	Confident	211 Å²	211	74.8 Å²	74.8	80%	0.796	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	51.7	-174.8	-59	-176.4	-179.5	-175.6	-0.4	111.6	Q605 T606 L607	Q605-R609 PolarHBondContact O-N 2.98Å; Q605-R609 VanDerWaalsContact O-N 3.12Å; T606-R609 PolarHBondContact O-N 2.88Å; L607-R609 VanDerWaalsContact C-N 3.26Å; L607-R609 PolarHBondContact O-N 2.93Å
610	T	79.8	Confident	88.4	Confident	24 Å²	24	76.1 Å²	76.1	15%	0.147	35%	0.346	C	S	.	.			trans	-51.9	132.9	174.2	35.2	0	0	0	0	110.4	Q605 L608 N612 W613 Y681	Q605-T610 HydrophobicContact CB-CG2 4.2Å; Q605-T610 WeakPolarHBondContact CB-OG1 3.4Å; Q605-T610 HydrophobicContact CG-CG2 4.04Å; Q605-T610 PolarHBondContact O-N 3.33Å; Q605-T610 PolarHBondContact O-OG1 3.04Å; Q605-T610 VanDerWaalsContact O-OG1 3.05Å; L608-T610 VanDerWaalsContact C-N 3.32Å; L608-T610 PolarHBondContact O-N 3.09Å; T610-N612 VanDerWaalsContact C-N 3.31Å; T610-N612 PolarHBondContact O-N 3.1Å; T610-W613 PolarHBondContact O-N 2.88Å; T610-W613 VanDerWaalsContact O-N 3.14Å; T610-W613 WeakPolarHBondContact OG1-CB 3.46Å; T610-Y681 WeakPolarHBondContact CA-OH 3.23Å; T610-Y681 HydrophobicContact CG2-CE2 4.19Å; T610-Y681 WeakPolarHBondContact CG2-OH 3.47Å
611	P	74.3	Confident	88.5	Confident	45 Å²	45	78 Å²	78	29%	0.292	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.4	-170.7	-29	34.9	0	0	0	115.3
612	N	81	Confident	88.6	Confident	147 Å²	147	82.9 Å²	82.9	79%	0.786	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	3.5	-174.2	-63.7	-12.8	0	0	0	113.8	N183 T610	N183-N612 PolarHBondContact ND2-O 3.05Å; N183-N612 PolarHBondContact OD1-O 3.39Å; T610-N612 VanDerWaalsContact C-N 3.31Å; T610-N612 PolarHBondContact O-N 3.1Å
613	W	86.1	Confident	88.7	Confident	17 Å²	17	84.7 Å²	84.7	6%	0.064	39%	0.387	C	S	.	.			trans	-101.2	106.4	-178.3	-179	-104.1	0	0	0	110.7	A179 I180 N183 L199 C602 Q605 T606 T610 P615 Y620	A179-W613 HydrophobicContact CB-CH2 4.45Å; A179-W613 HydrophobicContact CB-CZ2 4.4Å; I180-W613 HydrophobicContact CG1-CH2 3.95Å; I180-W613 HydrophobicContact CG1-CZ3 4.25Å; N183-W613 HydrophobicContact CB-CE3 4.31Å; N183-W613 HydrophobicContact CB-CZ3 4.15Å; L199-W613 HydrophobicContact CD2-CE3 4.47Å; L199-W613 HydrophobicContact CD2-CH2 4.32Å; L199-W613 HydrophobicContact CD2-CZ3 3.83Å; C602-W613 HydrophobicContact CB-CH2 4.39Å; C602-W613 HydrophobicContact CB-CZ2 4.16Å; Q605-W613 HydrophobicContact CB-CB 4.38Å; Q605-W613 HydrophobicContact CB-CD2 4.03Å; Q605-W613 HydrophobicContact CB-CG 3.9Å; T606-W613 PolarHBondContact OG1-NE1 3.28Å; T610-W613 PolarHBondContact O-N 2.88Å; T610-W613 VanDerWaalsContact O-N 3.14Å; T610-W613 WeakPolarHBondContact OG1-CB 3.46Å; W613-P615 HydrophobicContact CZ2-CB 4.35Å; W613-P615 HydrophobicContact CZ2-CG 4.07Å; W613-Y620 HydrophobicContact CZ2-CE1 4.47Å
614	R	88.4	Confident	88.8	Confident	192 Å²	192	87.2 Å²	87.2	73%	0.725	40%	0.4	S	S	*	.			trans	-141.6	70.4	179.5	-60.9	-176.6	-170	-176.3	1.6	110.2	N183 R616	N183-R614 PolarHBondContact OD1-N 2.8Å; R614-R616 PolarHBondContact O-N 3.07Å
615	P	89.6	Confident	89	Confident	34 Å²	34	84.8 Å²	84.8	22%	0.221	39%	0.385	C	S	.	.			trans	-62.2	126.8	-179.4	25.5	-32.9	0	0	0	110.1	A179 W613 Y620	A179-P615 HydrophobicContact CB-CB 3.95Å; W613-P615 HydrophobicContact CZ2-CB 4.35Å; W613-P615 HydrophobicContact CZ2-CG 4.07Å; P615-Y620 HydrophobicContact CB-CD1 4.01Å; P615-Y620 HydrophobicContact CB-CE1 4.22Å; P615-Y620 HydrophobicContact CG-CD1 3.59Å; P615-Y620 HydrophobicContact CG-CE1 3.48Å; P615-Y620 VanDerWaalsContact CG-CE1 3.48Å
616	R	88.7	Confident	89.3	Confident	173 Å²	173	89 Å²	89	65%	0.653	40%	0.404	S	S	*	.			trans	-91.1	-2.9	179.8	-67	-171.8	-70.5	172.6	0.6	113.4	R614 K618	R614-R616 PolarHBondContact O-N 3.07Å; R616-K618 PolarHBondContact O-N 3.44Å
617	F	91.8	Very high	89.6	Confident	37 Å²	37	91.3 Å²	91.3	16%	0.162	41%	0.414	C	S	.	.			trans	-69	122.9	-178	-172.7	-121.4	0	0	0	112.2	I175 T182 P458 I462 Y619 Y620	I175-F617 HydrophobicContact CG2-CE1 4.27Å; T182-F617 HydrophobicContact CG2-CB 4.27Å; T182-F617 WeakPolarHBondContact OG1-CB 3.36Å; T182-F617 PolarHBondContact OG1-N 3.41Å; P458-F617 HydrophobicContact CB-CD2 4.4Å; P458-F617 HydrophobicContact CB-CE2 4Å; I462-F617 HydrophobicContact CD1-CZ 3.95Å; F617-Y619 HydrophobicContact CE1-CD2 4.3Å; F617-Y619 HydrophobicContact CE2-CD2 4.14Å; F617-Y619 AromaticContact CZ-CD2 3.76Å; F617-Y619 HydrophobicContact CZ-CD2 3.76Å; F617-Y619 HydrophobicContact CZ-CG 4.4Å; F617-Y619 PolarHBondContact O-N 3.47Å; F617-Y620 WeakPolarHBondContact O-CB 3.29Å; F617-Y620 PolarHBondContact O-N 2.86Å
618	K	90.1	Very high	89.9	Confident	182 Å²	182	86.6 Å²	86.6	79%	0.791	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-35.8	-172.9	-173.6	178.2	179.8	-179.8	0	114.4	R616 Y620	R616-K618 PolarHBondContact O-N 3.44Å; K618-Y620 VanDerWaalsContact C-N 3.32Å
619	Y	93	Very high	90.4	Very high	164 Å²	164	84.2 Å²	84.2	64%	0.643	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	7.8	-175.7	-55	-74.4	0	0	0	113.4	F617 L624	F617-Y619 HydrophobicContact CE1-CD2 4.3Å; F617-Y619 HydrophobicContact CE2-CD2 4.14Å; F617-Y619 AromaticContact CZ-CD2 3.76Å; F617-Y619 HydrophobicContact CZ-CD2 3.76Å; F617-Y619 HydrophobicContact CZ-CG 4.4Å; F617-Y619 PolarHBondContact O-N 3.47Å; Y619-L624 WeakPolarHBondContact O-CD1 3.48Å
620	Y	95.3	Very high	91.1	Very high	29 Å²	29	76.5 Å²	76.5	11%	0.114	36%	0.355	C	S	.	.			trans	-82.7	133.6	177.6	176.1	-109.8	0	0	0	111.6	I175 A179 C602 T606 W613 P615 F617 K618 S625	I175-Y620 HydrophobicContact CG2-CD2 4.48Å; A179-Y620 HydrophobicContact CB-CD1 4.23Å; A179-Y620 HydrophobicContact CB-CD2 3.38Å; A179-Y620 HydrophobicContact CB-CE1 4.43Å; A179-Y620 HydrophobicContact CB-CE2 3.61Å; A179-Y620 HydrophobicContact CB-CG 3.69Å; C602-Y620 HydrophobicContact CB-CE2 4.35Å; C602-Y620 PolarHBondContact O-OH 3.26Å; T606-Y620 PolarHBondContact OG1-OH 3.43Å; W613-Y620 HydrophobicContact CZ2-CE1 4.47Å; P615-Y620 HydrophobicContact CB-CD1 4.01Å; P615-Y620 HydrophobicContact CB-CE1 4.22Å; P615-Y620 HydrophobicContact CG-CD1 3.59Å; P615-Y620 HydrophobicContact CG-CE1 3.48Å; P615-Y620 VanDerWaalsContact CG-CE1 3.48Å; F617-Y620 WeakPolarHBondContact O-CB 3.29Å; F617-Y620 PolarHBondContact O-N 2.86Å; K618-Y620 VanDerWaalsContact C-N 3.32Å; Y620-S625 WeakPolarHBondContact CE2-OG 3.36Å
621	H	95	Very high	91.8	Very high	96 Å²	96	78 Å²	78	44%	0.444	36%	0.36	S	S	.	.			trans	-145.6	143.3	167.3	-172.4	-96.6	0	0	0	109.6	A623 L624	H621-A623 VanDerWaalsContact ND1-CB 3.27Å; H621-A623 WeakPolarHBondContact ND1-CB 3.49Å; H621-A623 PolarHBondContact ND1-N 3.01Å; H621-A623 VanDerWaalsContact ND1-N 3.17Å; H621-A623 PolarHBondContact O-N 3.37Å; H621-A623 VanDerWaalsContact O-N 3.12Å; H621-L624 HydrophobicContact CB-CD1 4.38Å; H621-L624 HydrophobicContact CB-CG 4.44Å; H621-L624 WeakPolarHBondContact O-CB 3.38Å; H621-L624 PolarHBondContact O-N 3.45Å
622	W	95	Very high	92.8	Very high	101 Å²	101	75.8 Å²	75.8	38%	0.383	35%	0.346	S	S	.	.	H	α-helix	trans	-57.5	-32.2	-176.7	66.2	-92.7	0	0	0	112.9	T606 L607 L624 S625 F626	T606-W622 HydrophobicContact CG2-CB 4.02Å; L607-W622 HydrophobicContact CD1-CE3 4.37Å; L607-W622 HydrophobicContact CD2-CD2 4.05Å; L607-W622 HydrophobicContact CD2-CE3 4.18Å; L607-W622 HydrophobicContact CD2-CG 4.39Å; L607-W622 HydrophobicContact CG-CE3 4.49Å; W622-L624 VanDerWaalsContact C-N 3.33Å; W622-L624 PolarHBondContact O-N 2.89Å; W622-S625 PolarHBondContact O-N 3.35Å; W622-F626 PolarHBondContact O-N 3.12Å
623	A	95.9	Very high	93.4	Very high	39 Å²	39	72.2 Å²	72.2	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-67	-30.8	177.9	0	0	0	0	0	113	H621 F626 L627	H621-A623 VanDerWaalsContact ND1-CB 3.27Å; H621-A623 WeakPolarHBondContact ND1-CB 3.49Å; H621-A623 PolarHBondContact ND1-N 3.01Å; H621-A623 VanDerWaalsContact ND1-N 3.17Å; H621-A623 PolarHBondContact O-N 3.37Å; H621-A623 VanDerWaalsContact O-N 3.12Å; A623-F626 PolarHBondContact O-N 2.96Å; A623-L627 WeakPolarHBondContact O-CB 3.5Å; A623-L627 PolarHBondContact O-N 3.33Å
624	L	95.3	Very high	93.8	Very high	56 Å²	56	73.4 Å²	73.4	29%	0.293	34%	0.34	S	S	.	.	H	α-helix	trans	-68.9	-42	176.2	-67.9	173.3	0	0	0	110.8	L172 I175 Y619 H621 W622 L627 G628	L172-L624 HydrophobicContact CD2-CB 4.36Å; L172-L624 HydrophobicContact CD2-CD2 4.17Å; I175-L624 HydrophobicContact CG2-CD1 4.48Å; Y619-L624 WeakPolarHBondContact O-CD1 3.48Å; H621-L624 HydrophobicContact CB-CD1 4.38Å; H621-L624 HydrophobicContact CB-CG 4.44Å; H621-L624 WeakPolarHBondContact O-CB 3.38Å; H621-L624 PolarHBondContact O-N 3.45Å; W622-L624 VanDerWaalsContact C-N 3.33Å; W622-L624 PolarHBondContact O-N 2.89Å; L624-L627 PolarHBondContact O-N 2.97Å; L624-G628 PolarHBondContact O-N 2.81Å
625	S	95.8	Very high	94	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-39.1	173.5	-58.4	0	0	0	0	111.7	S176 N599 Y620 W622 G628 M629	S176-S625 WeakPolarHBondContact OG-CB 3.26Å; S176-S625 PolarHBondContact OG-OG 3.43Å; N599-S625 WeakPolarHBondContact CB-O 3.41Å; Y620-S625 WeakPolarHBondContact CE2-OG 3.36Å; W622-S625 PolarHBondContact O-N 3.35Å; S625-G628 PolarHBondContact O-N 3.14Å; S625-M629 WeakPolarHBondContact O-CB 3.38Å; S625-M629 PolarHBondContact O-N 3.4Å
626	F	95.9	Very high	94.1	Very high	106 Å²	106	62.8 Å²	62.8	47%	0.465	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-39.6	174.4	-173.7	-96.5	0	0	0	112.6	W622 A623 M629 S630	W622-F626 PolarHBondContact O-N 3.12Å; A623-F626 PolarHBondContact O-N 2.96Å; F626-M629 HydrophobicContact CD2-CE 3.48Å; F626-M629 VanDerWaalsContact CD2-CE 3.48Å; F626-M629 HydrophobicContact CD2-SD 4.47Å; F626-M629 HydrophobicContact CE2-CE 3.32Å; F626-M629 HydrophobicContact CG-CE 4.31Å; F626-M629 HydrophobicContact CZ-CE 4.04Å; F626-M629 WeakPolarHBondContact O-CB 3.35Å; F626-M629 PolarHBondContact O-N 3.36Å; F626-S630 PolarHBondContact O-N 2.8Å; F626-S630 PolarHBondContact O-OG 3.43Å
627	L	96.1	Very high	94.3	Very high	87 Å²	87	58.1 Å²	58.1	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-64.3	-40.5	172.8	-175.3	72.2	0	0	0	111.7	L172 A623 L624 M629 S630 M631	L172-L627 HydrophobicContact CD1-CB 4.29Å; L172-L627 HydrophobicContact CD1-CD2 3.83Å; L172-L627 HydrophobicContact CD1-CG 3.88Å; L172-L627 HydrophobicContact CD2-CD2 4.32Å; A623-L627 WeakPolarHBondContact O-CB 3.5Å; A623-L627 PolarHBondContact O-N 3.33Å; L624-L627 PolarHBondContact O-N 2.97Å; L627-M629 VanDerWaalsContact C-N 3.34Å; L627-S630 PolarHBondContact O-N 2.68Å; L627-S630 PolarHBondContact O-OG 3.17Å; L627-M631 WeakPolarHBondContact O-CB 3.49Å; L627-M631 WeakPolarHBondContact O-CG 3.44Å; L627-M631 PolarHBondContact O-N 3.26Å
628	G	95.3	Very high	94.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-42.2	174.7	0	0	0	0	0	111.9	L624 S625 M631 C632	L624-G628 PolarHBondContact O-N 2.81Å; S625-G628 PolarHBondContact O-N 3.14Å; G628-M631 PolarHBondContact O-N 3.16Å; G628-C632 PolarHBondContact O-N 3.29Å; G628-C632 PolarHBondContact O-SG 3.28Å
629	M	95.6	Very high	93.9	Very high	29 Å²	29	52.4 Å²	52.4	14%	0.143	26%	0.262	C	S	.	.	H	α-helix	trans	-60.5	-46.9	175.1	-176.4	-162.7	74.2	0	0	111.7	L596 N599 L600 S625 F626 L627 C632 L633	L596-M629 HydrophobicContact CD1-CB 4.35Å; L596-M629 HydrophobicContact CD1-CG 3.44Å; L596-M629 VanDerWaalsContact CD1-CG 3.44Å; L596-M629 WeakPolarHBondContact CD1-O 3.4Å; N599-M629 HydrophobicContact CB-CB 3.96Å; L600-M629 HydrophobicContact CB-CG 4.24Å; L600-M629 HydrophobicContact CB-SD 3.93Å; L600-M629 HydrophobicContact CD1-SD 3.5Å; L600-M629 WeakPolarHBondContact CD1-SD 3.44Å; L600-M629 HydrophobicContact CG-SD 4.28Å; S625-M629 WeakPolarHBondContact O-CB 3.38Å; S625-M629 PolarHBondContact O-N 3.4Å; F626-M629 HydrophobicContact CD2-CE 3.48Å; F626-M629 VanDerWaalsContact CD2-CE 3.48Å; F626-M629 HydrophobicContact CD2-SD 4.47Å; F626-M629 HydrophobicContact CE2-CE 3.32Å; F626-M629 HydrophobicContact CG-CE 4.31Å; F626-M629 HydrophobicContact CZ-CE 4.04Å; F626-M629 WeakPolarHBondContact O-CB 3.35Å; F626-M629 PolarHBondContact O-N 3.36Å; L627-M629 VanDerWaalsContact C-N 3.34Å; M629-C632 PolarHBondContact O-N 3.49Å; M629-L633 PolarHBondContact O-N 3.06Å
630	S	95.4	Very high	93.5	Very high	49 Å²	49	45.2 Å²	45.2	34%	0.343	24%	0.236	S	C	.	.	H	α-helix	trans	-66.5	-38.9	179.7	64.5	0	0	0	0	112.5	F626 L627 L633 A634	F626-S630 PolarHBondContact O-N 2.8Å; F626-S630 PolarHBondContact O-OG 3.43Å; L627-S630 PolarHBondContact O-N 2.68Å; L627-S630 PolarHBondContact O-OG 3.17Å; S630-L633 PolarHBondContact O-N 3.28Å; S630-A634 WeakPolarHBondContact O-CB 3.19Å; S630-A634 PolarHBondContact O-N 3.28Å
631	M	94.4	Very high	93.2	Very high	54 Å²	54	51.5 Å²	51.5	27%	0.266	26%	0.26	S	S	.	.	H	α-helix	trans	-63.8	-43.1	174.1	-73	-74	-87.1	0	0	112	M165 S168 L627 G628 L633 A634 L635	M165-M631 HydrophobicContact CG-CE 4.08Å; S168-M631 WeakPolarHBondContact OG-CE 3.47Å; L627-M631 WeakPolarHBondContact O-CB 3.49Å; L627-M631 WeakPolarHBondContact O-CG 3.44Å; L627-M631 PolarHBondContact O-N 3.26Å; G628-M631 PolarHBondContact O-N 3.16Å; M631-L633 VanDerWaalsContact C-N 3.32Å; M631-L633 PolarHBondContact O-N 3.22Å; M631-A634 PolarHBondContact O-N 3.1Å; M631-L635 WeakPolarHBondContact O-CG 3.33Å; M631-L635 PolarHBondContact O-N 3.23Å
632	C	94.8	Very high	92.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-44.5	175.6	-67.4	0	0	0	0	111.4	C169 L592 L596 G628 M629 M636	C169-C632 PolarHBondContact SG-SG 2.82Å; L592-C632 HydrophobicContact CD2-CB 4.43Å; L596-C632 HydrophobicContact CB-CB 4.09Å; L596-C632 HydrophobicContact CD1-CB 4.2Å; G628-C632 PolarHBondContact O-N 3.29Å; G628-C632 PolarHBondContact O-SG 3.28Å; M629-C632 PolarHBondContact O-N 3.49Å; C632-M636 WeakPolarHBondContact O-CB 3.35Å; C632-M636 PolarHBondContact O-N 3.34Å; C632-M636 VanDerWaalsContact O-N 3.1Å
633	L	94.4	Very high	92.5	Very high	71 Å²	71	54.1 Å²	54.1	37%	0.372	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-46.9	179.1	-166.4	155.2	0	0	0	110.8	L596 M629 S630 M631 L635 M636 F637	L596-L633 HydrophobicContact CD1-CB 4.26Å; M629-L633 PolarHBondContact O-N 3.06Å; S630-L633 PolarHBondContact O-N 3.28Å; M631-L633 VanDerWaalsContact C-N 3.32Å; M631-L633 PolarHBondContact O-N 3.22Å; L633-L635 PolarHBondContact O-N 3.11Å; L633-M636 PolarHBondContact O-N 3.23Å; L633-F637 HydrophobicContact CD2-CD2 3.47Å; L633-F637 VanDerWaalsContact CD2-CD2 3.47Å; L633-F637 HydrophobicContact CD2-CE2 3.57Å; L633-F637 HydrophobicContact CG-CD2 4.06Å; L633-F637 HydrophobicContact CG-CE2 3.97Å; L633-F637 WeakPolarHBondContact O-CD2 3.46Å; L633-F637 PolarHBondContact O-N 2.97Å; L633-F637 VanDerWaalsContact O-N 3.1Å
634	A	93.7	Very high	92.2	Very high	43 Å²	43	52.2 Å²	52.2	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-56.8	-48.6	177.3	0	0	0	0	0	111.8	S630 M631 M636 F637 I638	S630-A634 WeakPolarHBondContact O-CB 3.19Å; S630-A634 PolarHBondContact O-N 3.28Å; M631-A634 PolarHBondContact O-N 3.1Å; A634-M636 VanDerWaalsContact C-N 3.31Å; A634-M636 PolarHBondContact O-N 2.96Å; A634-F637 PolarHBondContact O-N 3.4Å; A634-I638 WeakPolarHBondContact O-CB 3.48Å; A634-I638 WeakPolarHBondContact O-CD1 3.34Å; A634-I638 WeakPolarHBondContact O-CG1 3.33Å; A634-I638 PolarHBondContact O-N 2.79Å
635	L	92.4	Very high	92	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-39.3	178	-73.8	175.7	0	0	0	113	M165 C169 V430 F434 L592 M631 L633 S639	M165-L635 HydrophobicContact CE-CD2 3.31Å; M165-L635 HydrophobicContact CG-CD2 3.87Å; M165-L635 HydrophobicContact SD-CD2 3.47Å; M165-L635 WeakPolarHBondContact SD-CD2 3.25Å; M165-L635 HydrophobicContact SD-CG 4.49Å; C169-L635 HydrophobicContact CB-CD1 3.91Å; V430-L635 HydrophobicContact CG1-CD2 3.69Å; F434-L635 HydrophobicContact CD2-CD1 4.31Å; F434-L635 HydrophobicContact CE2-CD1 4.12Å; L592-L635 HydrophobicContact CD1-CB 3.87Å; L592-L635 HydrophobicContact CD2-CB 3.84Å; L592-L635 HydrophobicContact CD2-CD1 3.91Å; M631-L635 WeakPolarHBondContact O-CG 3.33Å; M631-L635 PolarHBondContact O-N 3.23Å; L633-L635 PolarHBondContact O-N 3.11Å; L635-S639 PolarHBondContact O-N 2.59Å; L635-S639 VanDerWaalsContact O-N 3.08Å
636	M	92.1	Very high	91.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-46.1	179.8	-157.1	-173.6	-58.4	0	0	111.4	M589 L592 M593 L596 C632 L633 A634 S639 S640 A644 M648	M589-M636 HydrophobicContact SD-CG 3.5Å; M589-M636 WeakPolarHBondContact SD-CG 3.42Å; L592-M636 HydrophobicContact CB-CE 4.01Å; L592-M636 HydrophobicContact CD1-CB 4.39Å; M593-M636 HydrophobicContact CB-CE 4.13Å; L596-M636 HydrophobicContact CD2-CE 4.05Å; C632-M636 WeakPolarHBondContact O-CB 3.35Å; C632-M636 PolarHBondContact O-N 3.34Å; C632-M636 VanDerWaalsContact O-N 3.1Å; L633-M636 PolarHBondContact O-N 3.23Å; A634-M636 VanDerWaalsContact C-N 3.31Å; A634-M636 PolarHBondContact O-N 2.96Å; M636-S639 PolarHBondContact O-N 2.85Å; M636-S640 PolarHBondContact O-N 2.94Å; M636-S640 VanDerWaalsContact O-N 3.12Å; M636-A644 HydrophobicContact CB-CB 4.34Å; M636-A644 HydrophobicContact CG-CB 3.61Å; M636-A644 HydrophobicContact SD-CB 3.85Å; M636-M648 HydrophobicContact SD-CG 4.41Å
637	F	92.6	Very high	91.3	Very high	75 Å²	75	53.7 Å²	53.7	33%	0.329	27%	0.27	S	S	.	.	H	α-helix	trans	-70.1	-35.2	178.1	-84.8	-90.2	0	0	0	113.1	L633 A634 S639 W641 I645 M648	L633-F637 HydrophobicContact CD2-CD2 3.47Å; L633-F637 VanDerWaalsContact CD2-CD2 3.47Å; L633-F637 HydrophobicContact CD2-CE2 3.57Å; L633-F637 HydrophobicContact CG-CD2 4.06Å; L633-F637 HydrophobicContact CG-CE2 3.97Å; L633-F637 WeakPolarHBondContact O-CD2 3.46Å; L633-F637 PolarHBondContact O-N 2.97Å; L633-F637 VanDerWaalsContact O-N 3.1Å; A634-F637 PolarHBondContact O-N 3.4Å; F637-S639 VanDerWaalsContact C-N 3.34Å; F637-W641 HydrophobicContact CD1-CB 3.78Å; F637-W641 HydrophobicContact CE1-CB 4.4Å; F637-W641 PolarHBondContact O-N 3.4Å; F637-I645 HydrophobicContact CE1-CD1 4.37Å; F637-I645 HydrophobicContact CE1-CG1 4.11Å; F637-I645 HydrophobicContact CZ-CG1 4.24Å; F637-M648 HydrophobicContact CE2-CE 3.62Å; F637-M648 HydrophobicContact CZ-CE 3.61Å
638	I	89.7	Confident	90.9	Very high	67 Å²	67	52.1 Å²	52.1	34%	0.344	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-40.2	175.7	-74	169.5	0	0	0	110.8	T427 A634	T427-I638 WeakPolarHBondContact CB-O 3.34Å; T427-I638 HydrophobicContact CG2-CG2 3.73Å; T427-I638 WeakPolarHBondContact CG2-O 3.49Å; A634-I638 WeakPolarHBondContact O-CB 3.48Å; A634-I638 WeakPolarHBondContact O-CD1 3.34Å; A634-I638 WeakPolarHBondContact O-CG1 3.33Å; A634-I638 PolarHBondContact O-N 2.79Å
639	S	83.9	Confident	90.7	Very high	31 Å²	31	54 Å²	54	22%	0.217	28%	0.28	C	S	.	.	H	α-helix	trans	-76.2	-51.8	-178.7	171.2	0	0	0	0	112.4	M589 L635 M636 F637	M589-S639 WeakPolarHBondContact CE-OG 3.48Å; L635-S639 PolarHBondContact O-N 2.59Å; L635-S639 VanDerWaalsContact O-N 3.08Å; M636-S639 PolarHBondContact O-N 2.85Å; F637-S639 VanDerWaalsContact C-N 3.34Å
640	S	84.9	Confident	90.3	Very high	13 Å²	13	56.8 Å²	56.8	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-160.2	104.9	172.2	176	0	0	0	0	110.8	M636 Y642 Y643 A644	M636-S640 PolarHBondContact O-N 2.94Å; M636-S640 VanDerWaalsContact O-N 3.12Å; S640-Y642 VanDerWaalsContact C-N 3.33Å; S640-Y642 PolarHBondContact O-N 3.35Å; S640-Y642 VanDerWaalsContact OG-CD1 3.29Å; S640-Y642 WeakPolarHBondContact OG-CD1 3.45Å; S640-Y642 WeakPolarHBondContact OG-CE1 3.23Å; S640-Y643 WeakPolarHBondContact OG-CD2 3.35Å; S640-Y643 PolarHBondContact OG-N 3.43Å; S640-A644 VanDerWaalsContact O-CB 3.27Å; S640-A644 WeakPolarHBondContact O-CB 3.46Å; S640-A644 PolarHBondContact O-N 3.46Å
641	W	89.4	Confident	89.9	Confident	162 Å²	162	54.5 Å²	54.5	61%	0.614	28%	0.279	S	S	*	.	H	α-helix	trans	-62.7	-36.1	-178.3	71.3	-83.7	0	0	0	113.5	F637 A644 I645	F637-W641 HydrophobicContact CD1-CB 3.78Å; F637-W641 HydrophobicContact CE1-CB 4.4Å; F637-W641 PolarHBondContact O-N 3.4Å; W641-A644 WeakPolarHBondContact O-CB 3.39Å; W641-A644 PolarHBondContact O-N 3Å; W641-I645 HydrophobicContact CE3-CD1 3.74Å; W641-I645 HydrophobicContact CZ3-CD1 4.04Å; W641-I645 WeakPolarHBondContact O-CG1 3.48Å; W641-I645 PolarHBondContact O-N 3.3Å; W641-I645 VanDerWaalsContact O-N 3.09Å
642	Y	88.8	Confident	89.6	Confident	118 Å²	118	53.6 Å²	53.6	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-74.5	-42.7	-177.5	59.2	-87.6	0	0	0	111.7	S640 A644 I645 V646	S640-Y642 VanDerWaalsContact C-N 3.33Å; S640-Y642 PolarHBondContact O-N 3.35Å; S640-Y642 VanDerWaalsContact OG-CD1 3.29Å; S640-Y642 WeakPolarHBondContact OG-CD1 3.45Å; S640-Y642 WeakPolarHBondContact OG-CE1 3.23Å; Y642-A644 VanDerWaalsContact C-N 3.3Å; Y642-A644 PolarHBondContact O-N 3.14Å; Y642-I645 PolarHBondContact O-N 3.01Å; Y642-V646 WeakPolarHBondContact O-CG2 3.48Å; Y642-V646 PolarHBondContact O-N 3.23Å
643	Y	86.9	Confident	89.5	Confident	133 Å²	133	59.8 Å²	59.8	52%	0.522	31%	0.313	S	S	.	.	H	α-helix	trans	-65.4	-35.8	172.5	-68.3	-45.6	0	0	0	111.7	S640 V646 A647	S640-Y643 WeakPolarHBondContact OG-CD2 3.35Å; S640-Y643 PolarHBondContact OG-N 3.43Å; Y643-V646 PolarHBondContact O-N 3.29Å; Y643-A647 VanDerWaalsContact O-CB 3.26Å; Y643-A647 WeakPolarHBondContact O-CB 3.44Å; Y643-A647 PolarHBondContact O-N 2.64Å
644	A	89.4	Confident	89.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-48.2	175.7	0	0	0	0	0	112.2	M636 S640 W641 Y642 A647 M648	M636-A644 HydrophobicContact CB-CB 4.34Å; M636-A644 HydrophobicContact CG-CB 3.61Å; M636-A644 HydrophobicContact SD-CB 3.85Å; S640-A644 VanDerWaalsContact O-CB 3.27Å; S640-A644 WeakPolarHBondContact O-CB 3.46Å; S640-A644 PolarHBondContact O-N 3.46Å; W641-A644 WeakPolarHBondContact O-CB 3.39Å; W641-A644 PolarHBondContact O-N 3Å; Y642-A644 VanDerWaalsContact C-N 3.3Å; Y642-A644 PolarHBondContact O-N 3.14Å; A644-A647 PolarHBondContact O-N 2.96Å; A644-M648 WeakPolarHBondContact O-CB 3.34Å; A644-M648 WeakPolarHBondContact O-CG 3.44Å; A644-M648 PolarHBondContact O-N 2.97Å
645	I	91.1	Very high	89.1	Confident	84 Å²	84	59.2 Å²	59.2	43%	0.431	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-46.1	179.6	-68.5	169.4	0	0	0	111	F637 W641 Y642 M648 G649	F637-I645 HydrophobicContact CE1-CD1 4.37Å; F637-I645 HydrophobicContact CE1-CG1 4.11Å; F637-I645 HydrophobicContact CZ-CG1 4.24Å; W641-I645 HydrophobicContact CE3-CD1 3.74Å; W641-I645 HydrophobicContact CZ3-CD1 4.04Å; W641-I645 WeakPolarHBondContact O-CG1 3.48Å; W641-I645 PolarHBondContact O-N 3.3Å; W641-I645 VanDerWaalsContact O-N 3.09Å; Y642-I645 PolarHBondContact O-N 3.01Å; I645-M648 HydrophobicContact CG1-CE 4.48Å; I645-M648 PolarHBondContact O-N 3.45Å; I645-G649 PolarHBondContact O-N 3.45Å
646	V	89.6	Confident	89	Confident	90 Å²	90	64.7 Å²	64.7	55%	0.545	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-46.4	178.8	173.2	0	0	0	0	110.8	Y642 Y643 M648 G649 I650	Y642-V646 WeakPolarHBondContact O-CG2 3.48Å; Y642-V646 PolarHBondContact O-N 3.23Å; Y643-V646 PolarHBondContact O-N 3.29Å; V646-M648 PolarHBondContact O-N 2.89Å; V646-G649 PolarHBondContact O-N 2.67Å; V646-I650 HydrophobicContact CG1-CD1 3.92Å; V646-I650 WeakPolarHBondContact O-CG1 3.44Å; V646-I650 PolarHBondContact O-N 2.89Å
647	A	86.4	Confident	88.9	Confident	19 Å²	19	68.9 Å²	68.9	16%	0.157	34%	0.34	C	S	.	.	H	α-helix	trans	-60.5	-47	178	0	0	0	0	0	111.4	M593 Y643 A644 G649 I650 A651	M593-A647 HydrophobicContact CE-CB 3.76Å; M593-A647 WeakPolarHBondContact CE-O 3.5Å; M593-A647 HydrophobicContact SD-CB 4.3Å; Y643-A647 VanDerWaalsContact O-CB 3.26Å; Y643-A647 WeakPolarHBondContact O-CB 3.44Å; Y643-A647 PolarHBondContact O-N 2.64Å; A644-A647 PolarHBondContact O-N 2.96Å; A647-G649 VanDerWaalsContact C-N 3.32Å; A647-G649 PolarHBondContact O-N 3.39Å; A647-I650 PolarHBondContact O-N 3.44Å; A647-A651 PolarHBondContact O-N 2.69Å
648	M	89.1	Confident	88.8	Confident	54 Å²	54	65.5 Å²	65.5	27%	0.266	33%	0.326	S	S	.	.	H	α-helix	trans	-60.2	-39.7	176.8	-74.7	-170.7	-65	0	0	112.5	M593 M636 F637 A644 I645 V646 G652	M593-M648 VanDerWaalsContact CE-CA 3.44Å; M593-M648 HydrophobicContact CE-CB 4.29Å; M593-M648 HydrophobicContact CE-CG 3.9Å; M593-M648 VanDerWaalsContact CE-N 3.27Å; M636-M648 HydrophobicContact SD-CG 4.41Å; F637-M648 HydrophobicContact CE2-CE 3.62Å; F637-M648 HydrophobicContact CZ-CE 3.61Å; A644-M648 WeakPolarHBondContact O-CB 3.34Å; A644-M648 WeakPolarHBondContact O-CG 3.44Å; A644-M648 PolarHBondContact O-N 2.97Å; I645-M648 HydrophobicContact CG1-CE 4.48Å; I645-M648 PolarHBondContact O-N 3.45Å; V646-M648 PolarHBondContact O-N 2.89Å; M648-G652 PolarHBondContact O-N 3.16Å
649	G	89.6	Confident	88.8	Confident	39 Å²	39	64.8 Å²	64.8	40%	0.402	32%	0.321	S	S	.	.	H	α-helix	trans	-60.3	-48.6	173.5	0	0	0	0	0	112.3	I645 V646 A647 G652 M653	I645-G649 PolarHBondContact O-N 3.45Å; V646-G649 PolarHBondContact O-N 2.67Å; A647-G649 VanDerWaalsContact C-N 3.32Å; A647-G649 PolarHBondContact O-N 3.39Å; G649-G652 PolarHBondContact O-N 2.9Å; G649-M653 WeakPolarHBondContact O-CG 3.46Å; G649-M653 PolarHBondContact O-N 3.27Å
650	I	87.9	Confident	89.1	Confident	87 Å²	87	67.5 Å²	67.5	45%	0.446	33%	0.327	S	S	.	.	H	α-helix	trans	-61.8	-46.4	178.3	-66.1	167.8	0	0	0	111.1	V646 A647 G652 M653 I654	V646-I650 HydrophobicContact CG1-CD1 3.92Å; V646-I650 WeakPolarHBondContact O-CG1 3.44Å; V646-I650 PolarHBondContact O-N 2.89Å; A647-I650 PolarHBondContact O-N 3.44Å; I650-G652 VanDerWaalsContact C-N 3.35Å; I650-G652 PolarHBondContact O-N 3.32Å; I650-M653 HydrophobicContact CG1-CE 4.16Å; I650-M653 WeakPolarHBondContact O-CB 3.33Å; I650-M653 PolarHBondContact O-N 3.41Å; I650-I654 HydrophobicContact CG2-CD1 3.96Å; I650-I654 WeakPolarHBondContact O-CG1 3.31Å; I650-I654 PolarHBondContact O-N 3.17Å
651	A	86.9	Confident	89.2	Confident	2 Å²	2	69 Å²	69	2%	0.017	33%	0.333	C	S	.	.	H	α-helix	trans	-66.6	-35.7	179.6	0	0	0	0	0	112.9	M593 F597 A647 I654 Y655	M593-A651 HydrophobicContact CE-CB 3.67Å; M593-A651 HydrophobicContact SD-CB 3.64Å; F597-A651 HydrophobicContact CE2-CB 3.54Å; F597-A651 HydrophobicContact CZ-CB 3.57Å; A647-A651 PolarHBondContact O-N 2.69Å; A651-I654 PolarHBondContact O-N 3.06Å; A651-Y655 WeakPolarHBondContact O-CB 3.47Å; A651-Y655 PolarHBondContact O-N 3.2Å
652	G	88.9	Confident	89.1	Confident	35 Å²	35	63.1 Å²	63.1	36%	0.361	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-40	172.5	0	0	0	0	0	112.6	M648 G649 I650 Y655 K656	M648-G652 PolarHBondContact O-N 3.16Å; G649-G652 PolarHBondContact O-N 2.9Å; I650-G652 VanDerWaalsContact C-N 3.35Å; I650-G652 PolarHBondContact O-N 3.32Å; G652-Y655 PolarHBondContact O-N 2.99Å; G652-K656 PolarHBondContact O-N 3.2Å
653	M	91	Very high	89.1	Confident	129 Å²	129	57.7 Å²	57.7	64%	0.635	30%	0.302	S	S	*	.	H	α-helix	trans	-64.4	-43.3	173.4	-71	-172.7	-68.4	0	0	111.8	G649 I650 K656 Y657	G649-M653 WeakPolarHBondContact O-CG 3.46Å; G649-M653 PolarHBondContact O-N 3.27Å; I650-M653 HydrophobicContact CG1-CE 4.16Å; I650-M653 WeakPolarHBondContact O-CB 3.33Å; I650-M653 PolarHBondContact O-N 3.41Å; M653-K656 PolarHBondContact O-N 2.93Å; M653-Y657 VanDerWaalsContact O-CB 3.26Å; M653-Y657 WeakPolarHBondContact O-CB 3.39Å; M653-Y657 PolarHBondContact O-N 3.35Å
654	I	89.8	Confident	89.1	Confident	44 Å²	44	54.9 Å²	54.9	23%	0.226	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-46.9	175.8	-69.2	167.5	0	0	0	110.7	A206 L209 I650 A651 K656 Y657 I658	A206-I654 HydrophobicContact CB-CG2 4.45Å; L209-I654 HydrophobicContact CD1-CD1 4.29Å; L209-I654 HydrophobicContact CD1-CG2 3.85Å; I650-I654 HydrophobicContact CG2-CD1 3.96Å; I650-I654 WeakPolarHBondContact O-CG1 3.31Å; I650-I654 PolarHBondContact O-N 3.17Å; A651-I654 PolarHBondContact O-N 3.06Å; I654-K656 PolarHBondContact O-N 3.4Å; I654-Y657 PolarHBondContact O-N 3.38Å; I654-I658 HydrophobicContact CG2-CD1 3.8Å; I654-I658 VanDerWaalsContact O-CG1 3.32Å; I654-I658 WeakPolarHBondContact O-CG1 3.45Å; I654-I658 PolarHBondContact O-N 3.5Å
655	Y	90	Very high	89	Confident	58 Å²	58	62.5 Å²	62.5	23%	0.227	33%	0.327	C	S	.	.	H	α-helix	trans	-57	-49.7	177.6	178.4	-89.5	0	0	0	111.3	E202 F203 A651 G652 Y657 I658 E659	E202-Y655 HydrophobicContact CB-CD2 3.89Å; E202-Y655 HydrophobicContact CB-CE2 3.49Å; E202-Y655 VanDerWaalsContact CB-CE2 3.49Å; F203-Y655 HydrophobicContact CD1-CE2 4.07Å; F203-Y655 HydrophobicContact CD2-CE2 4.17Å; F203-Y655 AromaticContact CE1-CE2 3.94Å; F203-Y655 HydrophobicContact CE1-CE2 3.94Å; F203-Y655 HydrophobicContact CE2-CE2 4.04Å; F203-Y655 HydrophobicContact CG-CE2 4.19Å; F203-Y655 AromaticContact CZ-CE2 3.92Å; F203-Y655 HydrophobicContact CZ-CE2 3.92Å; A651-Y655 WeakPolarHBondContact O-CB 3.47Å; A651-Y655 PolarHBondContact O-N 3.2Å; G652-Y655 PolarHBondContact O-N 2.99Å; Y655-Y657 VanDerWaalsContact C-N 3.35Å; Y655-Y657 PolarHBondContact O-N 3.04Å; Y655-I658 PolarHBondContact O-N 2.89Å; Y655-E659 PolarHBondContact O-N 3.25Å
656	K	90.4	Very high	88.7	Confident	119 Å²	119	63.6 Å²	63.6	52%	0.517	33%	0.33	S	S	.	.	H	α-helix	trans	-66	-35.6	179.1	-80.5	-72.7	167.9	-160.6	0	113.2	G652 M653 I654 E659 Y660	G652-K656 PolarHBondContact O-N 3.2Å; M653-K656 PolarHBondContact O-N 2.93Å; I654-K656 PolarHBondContact O-N 3.4Å; K656-E659 WeakPolarHBondContact CD-OE2 3.39Å; K656-E659 WeakPolarHBondContact CE-OE2 3.4Å; K656-E659 IonicContact NZ-OE1 2.65Å; K656-E659 IonicContact NZ-OE2 2.8Å; K656-E659 PolarHBondContact NZ-OE2 3.43Å; K656-E659 PolarHBondContact O-N 3.48Å; K656-Y660 WeakPolarHBondContact O-CB 3.34Å; K656-Y660 PolarHBondContact O-N 3.02Å
657	Y	91.6	Very high	88.6	Confident	87 Å²	87	64.1 Å²	64.1	34%	0.341	32%	0.322	S	S	.	.	H	α-helix	trans	-63.6	-44.7	175.6	178.8	-93.9	0	0	0	111.7	I545 F547 M653 I654 Y655 Y660 Q661	I545-Y657 HydrophobicContact CG2-CE1 4.26Å; F547-Y657 HydrophobicContact CE1-CE1 4.22Å; M653-Y657 VanDerWaalsContact O-CB 3.26Å; M653-Y657 WeakPolarHBondContact O-CB 3.39Å; M653-Y657 PolarHBondContact O-N 3.35Å; I654-Y657 PolarHBondContact O-N 3.38Å; Y655-Y657 VanDerWaalsContact C-N 3.35Å; Y655-Y657 PolarHBondContact O-N 3.04Å; Y657-Y660 PolarHBondContact O-N 2.75Å; Y657-Q661 HydrophobicContact CD1-CG 4.41Å; Y657-Q661 HydrophobicContact CE1-CG 3.91Å; Y657-Q661 HydrophobicContact CE2-CG 4.31Å; Y657-Q661 WeakPolarHBondContact O-CG 3.31Å; Y657-Q661 PolarHBondContact O-N 3.3Å
658	I	90.4	Very high	88.7	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-42.2	177.2	-63.6	163.4	0	0	0	110.6	E202 I544 I545 I654 Y655 Y660 Q661 G662	E202-I658 HydrophobicContact CB-CG2 4.48Å; I544-I658 HydrophobicContact CB-CG2 4.35Å; I544-I658 HydrophobicContact CD1-CD1 4.49Å; I545-I658 HydrophobicContact CD1-CD1 4.29Å; I545-I658 HydrophobicContact CD1-CG1 4.32Å; I545-I658 HydrophobicContact CG1-CG1 4.06Å; I654-I658 HydrophobicContact CG2-CD1 3.8Å; I654-I658 VanDerWaalsContact O-CG1 3.32Å; I654-I658 WeakPolarHBondContact O-CG1 3.45Å; I654-I658 PolarHBondContact O-N 3.5Å; Y655-I658 PolarHBondContact O-N 2.89Å; I658-Y660 VanDerWaalsContact C-N 3.34Å; I658-Y660 PolarHBondContact O-N 3.4Å; I658-Q661 PolarHBondContact O-N 3.04Å; I658-G662 PolarHBondContact O-N 3.06Å
659	E	88.6	Confident	88.7	Confident	52 Å²	52	67.4 Å²	67.4	24%	0.243	35%	0.354	C	S	.	.	H	α-helix	trans	-59.6	-43.9	176.8	-162.3	-168.8	168.6	0	0	111.6	E202 Y655 K656 G662 A663 L674	E202-E659 HydrophobicContact CG-CB 4.26Å; E202-E659 HydrophobicContact CG-CG 4.41Å; Y655-E659 PolarHBondContact O-N 3.25Å; K656-E659 WeakPolarHBondContact CD-OE2 3.39Å; K656-E659 WeakPolarHBondContact CE-OE2 3.4Å; K656-E659 IonicContact NZ-OE1 2.65Å; K656-E659 IonicContact NZ-OE2 2.8Å; K656-E659 PolarHBondContact NZ-OE2 3.43Å; K656-E659 PolarHBondContact O-N 3.48Å; E659-G662 PolarHBondContact O-N 2.95Å; E659-A663 WeakPolarHBondContact O-CB 3.39Å; E659-A663 PolarHBondContact O-N 3.46Å; E659-L674 HydrophobicContact CB-CD2 4.36Å; E659-L674 HydrophobicContact CG-CD2 3.58Å
660	Y	90.2	Very high	88.5	Confident	88 Å²	88	65.6 Å²	65.6	35%	0.345	34%	0.335	S	S	.	.	H	α-helix	trans	-63.5	-48.1	177.4	176.8	-93.8	0	0	0	112.3	K656 Y657 I658 G662 A663 E664 I671 L674	K656-Y660 WeakPolarHBondContact O-CB 3.34Å; K656-Y660 PolarHBondContact O-N 3.02Å; Y657-Y660 PolarHBondContact O-N 2.75Å; I658-Y660 VanDerWaalsContact C-N 3.34Å; I658-Y660 PolarHBondContact O-N 3.4Å; Y660-G662 VanDerWaalsContact C-N 3.34Å; Y660-G662 PolarHBondContact O-N 3.21Å; Y660-A663 PolarHBondContact O-N 3.03Å; Y660-E664 WeakPolarHBondContact O-CB 3.25Å; Y660-E664 PolarHBondContact O-N 2.84Å; Y660-I671 HydrophobicContact CE2-CG1 4.08Å; Y660-L674 HydrophobicContact CD2-CD1 4.41Å
661	Q	88.4	Confident	88.5	Confident	44 Å²	44	67.5 Å²	67.5	21%	0.206	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-36.2	178.7	-74.9	-65.4	-52.7	0	0	112.3	Y657 I658 E664 K665	Y657-Q661 HydrophobicContact CD1-CG 4.41Å; Y657-Q661 HydrophobicContact CE1-CG 3.91Å; Y657-Q661 HydrophobicContact CE2-CG 4.31Å; Y657-Q661 WeakPolarHBondContact O-CG 3.31Å; Y657-Q661 PolarHBondContact O-N 3.3Å; I658-Q661 PolarHBondContact O-N 3.04Å; Q661-E664 PolarHBondContact NE2-OE2 3.49Å; Q661-E664 PolarHBondContact O-N 3.31Å; Q661-K665 WeakPolarHBondContact O-CB 3.18Å; Q661-K665 PolarHBondContact O-N 3.22Å
662	G	86.8	Confident	88.6	Confident	39 Å²	39	75.6 Å²	75.6	40%	0.402	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-45.9	172.5	0	0	0	0	0	111.8	I658 E659 Y660 K665 E666	I658-G662 PolarHBondContact O-N 3.06Å; E659-G662 PolarHBondContact O-N 2.95Å; Y660-G662 VanDerWaalsContact C-N 3.34Å; Y660-G662 PolarHBondContact O-N 3.21Å; G662-K665 PolarHBondContact O-N 3.45Å; G662-E666 WeakPolarHBondContact O-CB 3.29Å; G662-E666 PolarHBondContact O-N 3.37Å
663	A	87.3	Confident	88.5	Confident	4 Å²	4	74 Å²	74	3%	0.033	36%	0.358	C	S	.	.	H	α-helix	trans	-64.9	-41.3	176.6	0	0	0	0	0	112.8	E659 Y660 E666 W667 L674	E659-A663 WeakPolarHBondContact O-CB 3.39Å; E659-A663 PolarHBondContact O-N 3.46Å; Y660-A663 PolarHBondContact O-N 3.03Å; A663-E666 PolarHBondContact O-N 3.15Å; A663-W667 WeakPolarHBondContact O-CB 3.28Å; A663-W667 PolarHBondContact O-N 3Å; A663-L674 HydrophobicContact CB-CD2 3.91Å; A663-L674 HydrophobicContact CB-CG 3.89Å
664	E	88.7	Confident	88.3	Confident	74 Å²	74	70.4 Å²	70.4	35%	0.346	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-42.3	176.1	-172.7	180	-178.6	0	0	111.4	Y660 Q661 G668	Y660-E664 WeakPolarHBondContact O-CB 3.25Å; Y660-E664 PolarHBondContact O-N 2.84Å; Q661-E664 PolarHBondContact NE2-OE2 3.49Å; Q661-E664 PolarHBondContact O-N 3.31Å; E664-G668 CarbonylContact O-C 3.55Å; E664-G668 WeakPolarHBondContact O-CA 3.49Å; E664-G668 PolarHBondContact O-N 3.02Å
665	K	86.2	Confident	88.3	Confident	161 Å²	161	71.9 Å²	71.9	70%	0.7	36%	0.356	S	S	*	.	H	α-helix	trans	-69.9	-38.1	178	-173.8	178.6	178.2	-177.6	0	113.2	Q661 G662	Q661-K665 WeakPolarHBondContact O-CB 3.18Å; Q661-K665 PolarHBondContact O-N 3.22Å; G662-K665 PolarHBondContact O-N 3.45Å
666	E	85.5	Confident	88.3	Confident	106 Å²	106	72.2 Å²	72.2	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-77.4	-37.6	-178.4	-171	176.2	-163.1	0	0	112.4	G662 A663 R680	G662-E666 WeakPolarHBondContact O-CB 3.29Å; G662-E666 PolarHBondContact O-N 3.37Å; A663-E666 PolarHBondContact O-N 3.15Å; E666-R680 IonicContact OE1-CZ 3.29Å; E666-R680 IonicContact OE1-NH1 2.82Å; E666-R680 PolarHBondContact OE1-NH1 2.74Å
667	W	87.9	Confident	88.1	Confident	101 Å²	101	68.3 Å²	68.3	38%	0.383	35%	0.348	S	S	.	.	H	α-helix	trans	-117.3	-3.4	-170.3	-58.4	98.4	0	0	0	114.9	A663 D669 L676 S677	A663-W667 WeakPolarHBondContact O-CB 3.28Å; A663-W667 PolarHBondContact O-N 3Å; W667-D669 PolarHBondContact O-N 3.29Å; W667-L676 HydrophobicContact CB-CD1 4.45Å; W667-L676 HydrophobicContact CD2-CB 3.95Å; W667-L676 HydrophobicContact CD2-CD1 3.99Å; W667-L676 HydrophobicContact CE3-CB 4.17Å; W667-L676 HydrophobicContact CE3-CD1 3.69Å; W667-L676 HydrophobicContact CG-CB 4.43Å; W667-L676 HydrophobicContact CG-CD1 4.33Å; W667-L676 HydrophobicContact CH2-CB 4.38Å; W667-L676 HydrophobicContact CZ2-CB 4.17Å; W667-L676 HydrophobicContact CZ3-CB 4.38Å; W667-L676 HydrophobicContact CZ3-CD1 4.26Å; W667-S677 PolarHBondContact NE1-OG 3.42Å
668	G	86.7	Confident	87.9	Confident	65 Å²	65	66.1 Å²	66.1	67%	0.67	35%	0.353	S	S	*	.	S	Bend	trans	82.3	-21.8	-179.1	0	0	0	0	0	115.2	E664	E664-G668 CarbonylContact O-C 3.55Å; E664-G668 WeakPolarHBondContact O-CA 3.49Å; E664-G668 PolarHBondContact O-N 3.02Å
669	D	89.9	Confident	87.9	Confident	78 Å²	78	68.4 Å²	68.4	42%	0.417	37%	0.372	S	S	.	.	S	Bend	trans	-132.1	128.6	175.6	173.7	6.2	0	0	0	109.3	W667 I671 R672 G673	W667-D669 PolarHBondContact O-N 3.29Å; D669-I671 PolarHBondContact OD1-N 2.92Å; D669-R672 HydrophobicContact CB-CB 4.25Å; D669-R672 VanDerWaalsContact OD2-CB 3.27Å; D669-R672 WeakPolarHBondContact OD2-CB 3.46Å; D669-G673 WeakPolarHBondContact O-CA 3.39Å; D669-G673 PolarHBondContact O-N 3.43Å
670	G	85.1	Confident	87.9	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.01	38%	0.383	C	S	.	.	H	α-helix	trans	-65	-49.4	-176.6	0	0	0	0	0	114	G673 L674	G670-G673 PolarHBondContact O-N 3Å; G670-L674 VanDerWaalsContact O-CG 3.3Å; G670-L674 WeakPolarHBondContact O-CG 3.26Å; G670-L674 PolarHBondContact O-N 3.08Å
671	I	88.3	Confident	87.7	Confident	127 Å²	127	71.5 Å²	71.5	65%	0.651	38%	0.381	S	S	*	.	H	α-helix	trans	-72.4	-46.7	-173.5	-60	179.8	0	0	0	110.4	Y660 D669 G673 L674 S675	Y660-I671 HydrophobicContact CE2-CG1 4.08Å; D669-I671 PolarHBondContact OD1-N 2.92Å; I671-G673 VanDerWaalsContact C-N 3.32Å; I671-L674 PolarHBondContact O-N 3.37Å; I671-S675 PolarHBondContact O-N 3.45Å
672	R	88.4	Confident	87.6	Confident	172 Å²	172	71.1 Å²	71.1	65%	0.649	39%	0.386	S	S	*	.	H	α-helix	trans	-65.8	-38.8	176.1	-170.6	175.1	178.4	175.3	-1.5	110.9	D669 L674 S675 L676	D669-R672 HydrophobicContact CB-CB 4.25Å; D669-R672 VanDerWaalsContact OD2-CB 3.27Å; D669-R672 WeakPolarHBondContact OD2-CB 3.46Å; R672-L674 VanDerWaalsContact C-N 3.34Å; R672-L674 PolarHBondContact O-N 2.99Å; R672-S675 PolarHBondContact O-N 2.93Å; R672-S675 VanDerWaalsContact O-N 3.16Å; R672-S675 PolarHBondContact O-OG 2.98Å; R672-L676 HydrophobicContact CG-CD1 4.23Å; R672-L676 WeakPolarHBondContact O-CG 3.22Å; R672-L676 PolarHBondContact O-N 3.48Å
673	G	87.4	Confident	87.7	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-57.6	-42.7	175.9	0	0	0	0	0	112.9	D669 G670 I671 S675 L676 S677	D669-G673 WeakPolarHBondContact O-CA 3.39Å; D669-G673 PolarHBondContact O-N 3.43Å; G670-G673 PolarHBondContact O-N 3Å; I671-G673 VanDerWaalsContact C-N 3.32Å; G673-S675 VanDerWaalsContact C-N 3.32Å; G673-S675 PolarHBondContact O-N 3.34Å; G673-L676 PolarHBondContact O-N 3.24Å; G673-L676 VanDerWaalsContact O-N 3.16Å; G673-S677 WeakPolarHBondContact O-CB 3.31Å; G673-S677 PolarHBondContact O-N 3.43Å; G673-S677 PolarHBondContact O-OG 3.25Å
674	L	87.3	Confident	87.6	Confident	55 Å²	55	74.4 Å²	74.4	29%	0.288	39%	0.393	S	S	.	.	H	α-helix	trans	-58.7	-43.2	175.8	-72.8	170.5	0	0	0	112	E659 Y660 A663 G670 I671 R672 G678	E659-L674 HydrophobicContact CB-CD2 4.36Å; E659-L674 HydrophobicContact CG-CD2 3.58Å; Y660-L674 HydrophobicContact CD2-CD1 4.41Å; A663-L674 HydrophobicContact CB-CD2 3.91Å; A663-L674 HydrophobicContact CB-CG 3.89Å; G670-L674 VanDerWaalsContact O-CG 3.3Å; G670-L674 WeakPolarHBondContact O-CG 3.26Å; G670-L674 PolarHBondContact O-N 3.08Å; I671-L674 PolarHBondContact O-N 3.37Å; R672-L674 VanDerWaalsContact C-N 3.34Å; R672-L674 PolarHBondContact O-N 2.99Å; L674-G678 PolarHBondContact O-N 3.44Å
675	S	89.4	Confident	87.3	Confident	75 Å²	75	76.2 Å²	76.2	52%	0.524	40%	0.397	S	S	.	.	H	α-helix	trans	-65.7	-38	177.3	74.5	0	0	0	0	112.6	I671 R672 G673 A679	I671-S675 PolarHBondContact O-N 3.45Å; R672-S675 PolarHBondContact O-N 2.93Å; R672-S675 VanDerWaalsContact O-N 3.16Å; R672-S675 PolarHBondContact O-OG 2.98Å; G673-S675 VanDerWaalsContact C-N 3.32Å; G673-S675 PolarHBondContact O-N 3.34Å; S675-A679 WeakPolarHBondContact O-CB 3.17Å; S675-A679 PolarHBondContact O-N 3.46Å
676	L	90.6	Very high	87.1	Confident	65 Å²	65	72.9 Å²	72.9	34%	0.34	39%	0.387	S	S	.	.	H	α-helix	trans	-70	-44.9	178.3	-71.2	171.7	0	0	0	111.8	W667 R672 G673 G678 A679 R680	W667-L676 HydrophobicContact CB-CD1 4.45Å; W667-L676 HydrophobicContact CD2-CB 3.95Å; W667-L676 HydrophobicContact CD2-CD1 3.99Å; W667-L676 HydrophobicContact CE3-CB 4.17Å; W667-L676 HydrophobicContact CE3-CD1 3.69Å; W667-L676 HydrophobicContact CG-CB 4.43Å; W667-L676 HydrophobicContact CG-CD1 4.33Å; W667-L676 HydrophobicContact CH2-CB 4.38Å; W667-L676 HydrophobicContact CZ2-CB 4.17Å; W667-L676 HydrophobicContact CZ3-CB 4.38Å; W667-L676 HydrophobicContact CZ3-CD1 4.26Å; R672-L676 HydrophobicContact CG-CD1 4.23Å; R672-L676 WeakPolarHBondContact O-CG 3.22Å; R672-L676 PolarHBondContact O-N 3.48Å; G673-L676 PolarHBondContact O-N 3.24Å; G673-L676 VanDerWaalsContact O-N 3.16Å; L676-G678 VanDerWaalsContact C-N 3.32Å; L676-G678 PolarHBondContact O-N 3.21Å; L676-A679 PolarHBondContact O-N 3.32Å; L676-R680 WeakPolarHBondContact O-CB 3.39Å; L676-R680 PolarHBondContact O-N 3.33Å
677	S	86.1	Confident	87	Confident	36 Å²	36	74.4 Å²	74.4	25%	0.252	39%	0.394	S	S	.	.	H	α-helix	trans	-59	-44.2	173.6	-70.8	0	0	0	0	111.4	W667 G673 A679 R680 Y681	W667-S677 PolarHBondContact NE1-OG 3.42Å; G673-S677 WeakPolarHBondContact O-CB 3.31Å; G673-S677 PolarHBondContact O-N 3.43Å; G673-S677 PolarHBondContact O-OG 3.25Å; S677-A679 PolarHBondContact O-N 3.3Å; S677-R680 PolarHBondContact O-N 3.25Å; S677-Y681 WeakPolarHBondContact O-CB 3.15Å; S677-Y681 PolarHBondContact O-N 2.62Å
678	G	87.7	Confident	86.3	Confident	42 Å²	42	73.8 Å²	73.8	43%	0.433	41%	0.41	S	S	.	.	H	α-helix	trans	-59.9	-44.7	174.8	0	0	0	0	0	112.9	L674 L676 A682	L674-G678 PolarHBondContact O-N 3.44Å; L676-G678 VanDerWaalsContact C-N 3.32Å; L676-G678 PolarHBondContact O-N 3.21Å; G678-A682 WeakPolarHBondContact O-CB 3.36Å; G678-A682 PolarHBondContact O-N 3.18Å; G678-A682 VanDerWaalsContact O-N 3.09Å
679	A	90	Very high	85.2	Confident	52 Å²	52	72.5 Å²	72.5	43%	0.43	40%	0.396	S	S	.	.	H	α-helix	trans	-64.6	-47.3	177.4	0	0	0	0	0	112.2	S675 L676 S677 Y681 A682 L683	S675-A679 WeakPolarHBondContact O-CB 3.17Å; S675-A679 PolarHBondContact O-N 3.46Å; L676-A679 PolarHBondContact O-N 3.32Å; S677-A679 PolarHBondContact O-N 3.3Å; A679-Y681 PolarHBondContact O-N 3Å; A679-A682 PolarHBondContact O-N 3.48Å; A679-L683 WeakPolarHBondContact O-CG 3.39Å; A679-L683 PolarHBondContact O-N 3.27Å
680	R	88.9	Confident	84	Confident	123 Å²	123	74.1 Å²	74.1	46%	0.464	41%	0.411	S	S	.	.	H	α-helix	trans	-58.4	-47.2	176.8	176	-176.8	165.3	-163.2	-3.3	111.5	E666 L676 S677 A682 L683 L684	E666-R680 IonicContact OE1-CZ 3.29Å; E666-R680 IonicContact OE1-NH1 2.82Å; E666-R680 PolarHBondContact OE1-NH1 2.74Å; L676-R680 WeakPolarHBondContact O-CB 3.39Å; L676-R680 PolarHBondContact O-N 3.33Å; S677-R680 PolarHBondContact O-N 3.25Å; R680-A682 VanDerWaalsContact C-N 3.33Å; R680-A682 PolarHBondContact O-N 3.46Å; R680-L683 PolarHBondContact O-N 3.32Å; R680-L684 HydrophobicContact CG-CD1 4.09Å; R680-L684 WeakPolarHBondContact O-CG 3.32Å; R680-L684 PolarHBondContact O-N 2.74Å
681	Y	84.4	Confident	82.9	Confident	81 Å²	81	79.3 Å²	79.3	32%	0.318	45%	0.445	S	S	.	.	H	α-helix	trans	-61.1	-42.4	179.4	-178.1	-94.8	0	0	0	111.7	T610 S677 A679 L683 R685	T610-Y681 WeakPolarHBondContact CA-OH 3.23Å; T610-Y681 HydrophobicContact CG2-CE2 4.19Å; T610-Y681 WeakPolarHBondContact CG2-OH 3.47Å; S677-Y681 WeakPolarHBondContact O-CB 3.15Å; S677-Y681 PolarHBondContact O-N 2.62Å; A679-Y681 PolarHBondContact O-N 3Å; Y681-L683 PolarHBondContact O-N 3.33Å; Y681-R685 WeakPolarHBondContact O-CB 3.3Å; Y681-R685 PolarHBondContact O-N 2.79Å; Y681-R685 VanDerWaalsContact O-N 3.17Å
682	A	87.1	Confident	81.6	Confident	37 Å²	37	81.8 Å²	81.8	31%	0.306	45%	0.453	S	S	.	.	H	α-helix	trans	-62.7	-40.1	175.7	0	0	0	0	0	112.6	G678 A679 R680 R685 L686	G678-A682 WeakPolarHBondContact O-CB 3.36Å; G678-A682 PolarHBondContact O-N 3.18Å; G678-A682 VanDerWaalsContact O-N 3.09Å; A679-A682 PolarHBondContact O-N 3.48Å; R680-A682 VanDerWaalsContact C-N 3.33Å; R680-A682 PolarHBondContact O-N 3.46Å; A682-R685 PolarHBondContact O-N 2.92Å; A682-L686 WeakPolarHBondContact O-CG 3.33Å; A682-L686 PolarHBondContact O-N 3.17Å; A682-L686 VanDerWaalsContact O-N 3.16Å
683	L	88.4	Confident	80.3	Confident	34 Å²	34	76 Å²	76	18%	0.178	44%	0.437	C	S	.	.	H	α-helix	trans	-67.9	-45.7	179.2	-72.2	171.4	0	0	0	112.9	A679 R680 Y681 R685 L686 E687 L789 M792	A679-L683 WeakPolarHBondContact O-CG 3.39Å; A679-L683 PolarHBondContact O-N 3.27Å; R680-L683 PolarHBondContact O-N 3.32Å; Y681-L683 PolarHBondContact O-N 3.33Å; L683-R685 PolarHBondContact O-N 3.31Å; L683-L686 HydrophobicContact CD2-CD1 4.46Å; L683-L686 WeakPolarHBondContact O-CB 3.15Å; L683-L686 PolarHBondContact O-N 2.7Å; L683-L686 VanDerWaalsContact O-N 3.07Å; L683-E687 PolarHBondContact O-N 3.16Å; L683-L789 HydrophobicContact CD1-CD2 3.57Å; L683-L789 HydrophobicContact CD1-CG 4.06Å; L683-M792 HydrophobicContact CD2-CB 3.57Å; L683-M792 HydrophobicContact CD2-SD 4.25Å
684	L	85.4	Confident	79.4	Confident	78 Å²	78	79.3 Å²	79.3	41%	0.408	45%	0.452	S	S	.	.	H	α-helix	trans	-60.9	-35.8	176.4	-71.2	172.5	0	0	0	111.7	R680 L686 E687	R680-L684 HydrophobicContact CG-CD1 4.09Å; R680-L684 WeakPolarHBondContact O-CG 3.32Å; R680-L684 PolarHBondContact O-N 2.74Å; L684-L686 VanDerWaalsContact C-N 3.34Å; L684-E687 PolarHBondContact O-N 3.07Å
685	R	82.4	Confident	79	Confident	111 Å²	111	79.5 Å²	79.5	42%	0.419	45%	0.453	S	S	.	.	H	α-helix	trans	-67.3	-35.4	175.4	-170.7	178.8	66	-177.4	-1.9	112.5	Y681 A682 L683 E687	Y681-R685 WeakPolarHBondContact O-CB 3.3Å; Y681-R685 PolarHBondContact O-N 2.79Å; Y681-R685 VanDerWaalsContact O-N 3.17Å; A682-R685 PolarHBondContact O-N 2.92Å; L683-R685 PolarHBondContact O-N 3.31Å; R685-E687 VanDerWaalsContact C-N 3.26Å; R685-E687 PolarHBondContact O-N 2.86Å
686	L	83.1	Confident	78.9	Confident	92 Å²	92	77 Å²	77	48%	0.482	43%	0.432	S	S	.	.	H	α-helix	trans	-67.1	-27.9	177.5	-74.2	169.3	0	0	0	112.5	A682 L683 L684	A682-L686 WeakPolarHBondContact O-CG 3.33Å; A682-L686 PolarHBondContact O-N 3.17Å; A682-L686 VanDerWaalsContact O-N 3.16Å; L683-L686 HydrophobicContact CD2-CD1 4.46Å; L683-L686 WeakPolarHBondContact O-CB 3.15Å; L683-L686 PolarHBondContact O-N 2.7Å; L683-L686 VanDerWaalsContact O-N 3.07Å; L684-L686 VanDerWaalsContact C-N 3.34Å
687	E	82.3	Confident	78.8	Confident	138 Å²	138	76.9 Å²	76.9	65%	0.645	43%	0.427	S	S	*	.	H	α-helix	trans	-73.8	-31.5	179.9	-169.4	173.6	-173.9	0	0	113.2	L683 L684 R685 G689	L683-E687 PolarHBondContact O-N 3.16Å; L684-E687 PolarHBondContact O-N 3.07Å; R685-E687 VanDerWaalsContact C-N 3.26Å; R685-E687 PolarHBondContact O-N 2.86Å; E687-G689 VanDerWaalsContact C-N 3.33Å; E687-G689 PolarHBondContact O-N 3.27Å
688	A	72.6	Confident	79.1	Confident	88 Å²	88	75.2 Å²	75.2	73%	0.727	42%	0.415	S	S	*	.	S	Bend	trans	-74.5	-18.6	-176.9	0	0	0	0	0	114.4
689	G	65.4	Low	79.3	Confident	37 Å²	37	75.5 Å²	75.5	38%	0.381	41%	0.405	S	S	.	.	S	Bend	trans	-96.2	149	-179.2	0	0	0	0	0	112.5	E687	E687-G689 VanDerWaalsContact C-N 3.33Å; E687-G689 PolarHBondContact O-N 3.27Å
690	P	62.9	Low	79.6	Confident	113 Å²	113	73 Å²	73	73%	0.734	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-60.4	135	168.9	27.3	-33.1	0	0	0	108.6	H692	P690-H692 PolarHBondContact O-N 2.85Å
691	P	63.5	Low	80	Confident	109 Å²	109	67.1 Å²	67.1	71%	0.708	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-55.1	133	177.6	22.7	-32.2	0	0	0	108.8	T693	P691-T693 WeakPolarHBondContact O-CG2 3.48Å; P691-T693 PolarHBondContact O-N 3.45Å
692	H	60	Low	80.6	Confident	180 Å²	180	63.3 Å²	63.3	83%	0.833	35%	0.347	S	S	*	.			trans	-63.4	92.9	-178.3	-68.3	-61.8	0	0	0	110.4	P690	P690-H692 PolarHBondContact O-N 2.85Å
693	T	61.8	Low	81	Confident	51 Å²	51	62.3 Å²	62.3	31%	0.313	34%	0.337	S	S	.	.			trans	-84.8	-23.6	-179.7	52.6	0	0	0	0	113.3	P691 N695 M945	P691-T693 WeakPolarHBondContact O-CG2 3.48Å; P691-T693 PolarHBondContact O-N 3.45Å; T693-N695 VanDerWaalsContact C-N 3.32Å; T693-N695 PolarHBondContact O-N 2.93Å; T693-M945 PolarHBondContact OG1-SD 2.95Å
694	K	67.7	Low	81.3	Confident	69 Å²	69	61 Å²	61	30%	0.3	33%	0.33	S	S	.	.	S	Bend	trans	-72.3	-19.7	-172.7	-64	-167.8	171.9	-162.7	0	115.1	M945 L947 E951 V1087 T1089	K694-M945 WeakPolarHBondContact CE-O 3.46Å; K694-L947 HydrophobicContact CD-CD2 3.79Å; K694-L947 HydrophobicContact CG-CD2 3.97Å; K694-E951 IonicContact NZ-OE2 3.69Å; K694-E951 PolarHBondContact NZ-OE2 3.47Å; K694-V1087 CarbonylContact C-O 3.58Å; K694-T1089 PolarHBondContact O-OG1 3.49Å; K694-T1089 VanDerWaalsContact O-OG1 3.05Å
695	N	79.9	Confident	81.5	Confident	58 Å²	58	62 Å²	62	31%	0.31	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-138.4	81.8	179.3	-81.1	-37.2	0	0	0	109.6	T693 T1089 I1090	T693-N695 VanDerWaalsContact C-N 3.32Å; T693-N695 PolarHBondContact O-N 2.93Å; N695-T1089 PolarHBondContact OD1-N 3Å; N695-T1089 PolarHBondContact OD1-OG1 2.84Å; N695-I1090 PolarHBondContact OD1-N 2.82Å
696	W	86.3	Confident	81.8	Confident	24 Å²	24	58.3 Å²	58.3	9%	0.091	32%	0.32	C	S	.	.			trans	-63	141.2	176.8	-173.1	92.3	0	0	0	111.6	P698 N795 T796 A830 M832 M863 L866 E1086 V1087 I1088	W696-P698 HydrophobicContact CH2-CB 3.67Å; W696-P698 HydrophobicContact CH2-CG 4.39Å; W696-P698 HydrophobicContact CZ2-CB 4.32Å; W696-P698 HydrophobicContact CZ3-CB 4.06Å; W696-P698 HydrophobicContact CZ3-CG 4.29Å; W696-N795 PolarHBondContact NE1-ND2 3.33Å; W696-T796 WeakPolarHBondContact CZ2-OG1 3.01Å; W696-A830 HydrophobicContact CH2-CB 4.4Å; W696-A830 HydrophobicContact CZ2-CB 3.86Å; W696-M832 HydrophobicContact CH2-CE 4.4Å; W696-M863 HydrophobicContact CH2-CG 4.18Å; W696-M863 HydrophobicContact CH2-SD 3.71Å; W696-M863 HydrophobicContact CZ2-SD 4.28Å; W696-M863 HydrophobicContact CZ3-CG 4.03Å; W696-M863 HydrophobicContact CZ3-SD 4.15Å; W696-L866 HydrophobicContact CE3-CD2 3.8Å; W696-L866 HydrophobicContact CZ3-CD2 4Å; W696-E1086 HydrophobicContact CB-CB 4.34Å; W696-E1086 HydrophobicContact CD2-CB 4.34Å; W696-E1086 HydrophobicContact CD2-CG 3.93Å; W696-E1086 HydrophobicContact CG-CB 4.04Å; W696-E1086 HydrophobicContact CG-CG 3.86Å; W696-E1086 HydrophobicContact CZ2-CG 4.34Å; W696-V1087 PolarHBondContact N-O 3.38Å; W696-I1088 HydrophobicContact CB-CG1 3.95Å; W696-I1088 HydrophobicContact CE3-CD1 4.2Å
697	R	88.8	Confident	81.9	Confident	61 Å²	61	56.9 Å²	56.9	23%	0.23	31%	0.313	C	S	.	.			trans	-140.9	138.5	173.2	-75.6	-65	-169.7	-82.6	6.1	108.7	Q699 N795 I1090 S1092	R697-Q699 PolarHBondContact O-N 3.27Å; R697-N795 PolarHBondContact O-ND2 3.15Å; R697-I1090 PolarHBondContact NH1-O 3.11Å; R697-I1090 VanDerWaalsContact NH1-O 3.11Å; R697-S1092 PolarHBondContact NH2-O 2.86Å; R697-S1092 PolarHBondContact NH2-OG 3.05Å
698	P	91.9	Very high	82	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	33%	0.325	C	S	.	.			trans	-71	123.8	-176.5	26.5	-32.7	0	0	0	111	W696 L700 K725 M832 L867 L870	W696-P698 HydrophobicContact CH2-CB 3.67Å; W696-P698 HydrophobicContact CH2-CG 4.39Å; W696-P698 HydrophobicContact CZ2-CB 4.32Å; W696-P698 HydrophobicContact CZ3-CB 4.06Å; W696-P698 HydrophobicContact CZ3-CG 4.29Å; P698-L700 HydrophobicContact CB-CD2 3.98Å; P698-K725 PolarHBondContact O-NZ 2.98Å; P698-M832 HydrophobicContact CB-CE 4.31Å; P698-L867 HydrophobicContact CG-CD2 4.44Å; P698-L870 HydrophobicContact CG-CD1 3.95Å
699	Q	93.3	Very high	82.6	Confident	48 Å²	48	61.4 Å²	61.4	22%	0.224	32%	0.322	C	S	.	.			trans	-111.6	113.7	168.5	-51.5	-57.4	-14.1	0	0	107	R697 L730 N795 T796	R697-Q699 PolarHBondContact O-N 3.27Å; Q699-L730 HydrophobicContact CB-CB 4.32Å; Q699-N795 PolarHBondContact N-OD1 2.8Å; Q699-N795 PolarHBondContact O-N 3.26Å; Q699-N795 PolarHBondContact O-OD1 2.78Å; Q699-T796 PolarHBondContact O-N 2.89Å
700	L	95.8	Very high	83.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135.2	-161.2	-54.2	-178.6	0	0	0	111.7	P698 V702 A721 L724 K725 L730 T731 I732 T796 V798	P698-L700 HydrophobicContact CB-CD2 3.98Å; L700-V702 HydrophobicContact CB-CG2 4.22Å; L700-A721 HydrophobicContact CD1-CB 4.09Å; L700-L724 HydrophobicContact CD1-CD2 4.25Å; L700-L724 HydrophobicContact CD2-CD2 4.32Å; L700-K725 HydrophobicContact CD1-CD 3.91Å; L700-K725 HydrophobicContact CD1-CG 3.5Å; L700-K725 VanDerWaalsContact CD1-CG 3.5Å; L700-K725 HydrophobicContact CG-CD 4.01Å; L700-K725 HydrophobicContact CG-CG 4.09Å; L700-L730 PolarHBondContact N-O 3.39Å; L700-L730 VanDerWaalsContact N-O 3.11Å; L700-T731 HydrophobicContact CB-CG2 4.33Å; L700-T731 WeakPolarHBondContact O-CA 3.42Å; L700-I732 PolarHBondContact O-N 2.97Å; L700-T796 CarbonylContact C-O 3.59Å; L700-T796 WeakPolarHBondContact CA-O 3.32Å; L700-T796 HydrophobicContact CD2-CG2 3.88Å; L700-V798 HydrophobicContact CB-CG2 4.42Å; L700-V798 HydrophobicContact CD2-CG2 3.92Å
701	L	97.1	Very high	84.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	105.9	156.7	174.2	63	0	0	0	107.8	L703 I732 I784 C787 H794 T796 V797 V798	L701-L703 HydrophobicContact CD2-CD2 4.27Å; L701-L703 HydrophobicContact CG-CD2 4.18Å; L701-I732 CarbonylContact C-O 3.59Å; L701-I732 VanDerWaalsContact CA-O 3.31Å; L701-I732 WeakPolarHBondContact CA-O 2.9Å; L701-I732 HydrophobicContact CD1-CB 4.08Å; L701-I732 HydrophobicContact CD1-CG2 3.84Å; L701-I784 HydrophobicContact CD2-CG1 4.2Å; L701-C787 HydrophobicContact CD1-CB 4.37Å; L701-H794 HydrophobicContact CB-CB 3.87Å; L701-H794 VanDerWaalsContact CB-CD2 3.45Å; L701-H794 WeakPolarHBondContact CB-CD2 3.48Å; L701-H794 WeakPolarHBondContact CD2-NE2 3.28Å; L701-T796 PolarHBondContact N-O 3.17Å; L701-V797 HydrophobicContact CD2-CG2 4.43Å; L701-V797 CarbonylContact O-C 3.45Å; L701-V797 WeakPolarHBondContact O-CA 3.25Å; L701-V798 PolarHBondContact O-N 3.36Å
702	V	96.8	Very high	86	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.1	-179.5	-174.8	0	0	0	0	108.7	L700 L704 M717 A721 T731 I732 V733 G734 V798	L700-V702 HydrophobicContact CB-CG2 4.22Å; V702-L704 HydrophobicContact CG1-CD2 4.06Å; V702-L704 HydrophobicContact CG1-CG 4.41Å; V702-M717 HydrophobicContact CG1-CB 4.39Å; V702-M717 HydrophobicContact CG1-CE 3.86Å; V702-A721 HydrophobicContact CG2-CB 3.88Å; V702-T731 HydrophobicContact CG2-CG2 4.25Å; V702-I732 PolarHBondContact N-O 3.47Å; V702-V733 WeakPolarHBondContact O-CA 2.86Å; V702-G734 PolarHBondContact O-N 2.89Å; V702-V798 HydrophobicContact CG2-CB 4.33Å
703	L	95.9	Very high	87.3	Confident	17 Å²	17	54.6 Å²	54.6	9%	0.089	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	110.5	177.5	-63.3	178.3	0	0	0	110	L701 M717 G734 I780 L783 V797 V798 M799 T820	L701-L703 HydrophobicContact CD2-CD2 4.27Å; L701-L703 HydrophobicContact CG-CD2 4.18Å; L703-M717 VanDerWaalsContact O-CE 3.26Å; L703-M717 WeakPolarHBondContact O-CE 3.46Å; L703-G734 WeakPolarHBondContact CA-O 3.42Å; L703-I780 HydrophobicContact CD1-CG2 3.78Å; L703-L783 HydrophobicContact CD2-CD1 4.19Å; L703-V797 HydrophobicContact CD1-CG1 3.71Å; L703-V797 HydrophobicContact CG-CG1 4.12Å; L703-V798 PolarHBondContact N-O 3.39Å; L703-M799 HydrophobicContact CB-CB 4.29Å; L703-M799 HydrophobicContact CD1-CB 4.33Å; L703-T820 HydrophobicContact CD1-CG2 3.95Å
704	L	93.9	Very high	88.7	Confident	7 Å²	7	54.5 Å²	54.5	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.2	176.5	-65.4	-177.5	0	0	0	111.2	V702 V712 M717 L718 V733 G734 S735 I755	V702-L704 HydrophobicContact CG1-CD2 4.06Å; V702-L704 HydrophobicContact CG1-CG 4.41Å; L704-V712 HydrophobicContact CD1-CG1 3.96Å; L704-V712 HydrophobicContact CD1-CG2 4.26Å; L704-V712 HydrophobicContact CD2-CG1 4.21Å; L704-V712 HydrophobicContact CG-CG1 4.49Å; L704-M717 HydrophobicContact CD2-CB 3.95Å; L704-M717 HydrophobicContact CD2-CE 4.35Å; L704-M717 HydrophobicContact CD2-SD 4.27Å; L704-L718 HydrophobicContact CD1-CD1 3.99Å; L704-L718 HydrophobicContact CD1-CD2 3.99Å; L704-L718 HydrophobicContact CD1-CG 4Å; L704-L718 HydrophobicContact CD2-CG 4.36Å; L704-V733 HydrophobicContact CD1-CG1 3.35Å; L704-V733 HydrophobicContact CG-CG1 3.8Å; L704-G734 PolarHBondContact N-O 3.47Å; L704-S735 PolarHBondContact O-OG 2.92Å; L704-I755 HydrophobicContact CD1-CG2 4.36Å
705	K	90.3	Very high	89.8	Confident	99 Å²	99	53.4 Å²	53.4	43%	0.43	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-87.9	131.3	167.8	-67.2	-171.7	176.8	-176.7	0	109.4	K713	K705-K713 PolarHBondContact O-N 3.02Å; K705-K713 VanDerWaalsContact O-N 3.11Å
706	L	89.3	Confident	90.4	Very high	33 Å²	33	54.2 Å²	54.2	17%	0.173	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-93.1	152.4	170.2	-59.9	172.5	0	0	0	109.6	H711 V712 S735 I737 A751 I755	L706-H711 CarbonylContact C-O 3.54Å; L706-H711 VanDerWaalsContact CA-O 3.26Å; L706-H711 WeakPolarHBondContact CA-O 3.5Å; L706-V712 HydrophobicContact CD2-CG2 4.09Å; L706-S735 WeakPolarHBondContact CD1-OG 3.42Å; L706-S735 WeakPolarHBondContact CG-OG 3.44Å; L706-I737 HydrophobicContact CD1-CD1 4.49Å; L706-I737 HydrophobicContact CD1-CG1 3.99Å; L706-A751 HydrophobicContact CD1-CB 4.08Å; L706-I755 HydrophobicContact CD2-CD1 4.28Å; L706-I755 HydrophobicContact CD2-CG1 4.38Å
707	D	85.3	Confident	90.6	Very high	62 Å²	62	53.2 Å²	53.2	33%	0.332	25%	0.252	S	S	.	.			trans	-85	-179.2	164.9	59.3	22.8	0	0	0	111.3	D709 L710 H711	D707-D709 PolarHBondContact O-N 2.95Å; D707-D709 PolarHBondContact OD1-N 3.14Å; D707-L710 PolarHBondContact O-N 3.08Å; D707-L710 VanDerWaalsContact O-N 3.15Å; D707-L710 PolarHBondContact OD1-N 3.44Å; D707-L710 VanDerWaalsContact OD1-N 3.08Å; D707-H711 PolarHBondContact N-O 3.31Å; D707-H711 WeakPolarHBondContact OD1-CA 3.32Å; D707-H711 PolarHBondContact OD1-N 3.4Å; D707-H711 IonicContact OD1-ND1 3.92Å; D707-H711 WeakPolarHBondContact OD2-CB 3.36Å
708	E	83.8	Confident	90.9	Very high	194 Å²	194	50.3 Å²	50.3	91%	0.907	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.4	-180	-64.2	179	-178.1	0	0	112	L710	E708-L710 VanDerWaalsContact C-N 3.26Å; E708-L710 PolarHBondContact O-N 3.13Å
709	D	84.6	Confident	91	Very high	126 Å²	126	50.3 Å²	50.3	67%	0.674	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	10.7	176.5	-61.7	-43.5	0	0	0	112.9	D707 H711	D707-D709 PolarHBondContact O-N 2.95Å; D707-D709 PolarHBondContact OD1-N 3.14Å; D709-H711 VanDerWaalsContact CB-ND1 3.35Å; D709-H711 WeakPolarHBondContact CB-ND1 3.29Å; D709-H711 PolarHBondContact O-CE1 3.47Å; D709-H711 PolarHBondContact O-N 3.5Å; D709-H711 PolarHBondContact O-ND1 3.45Å; D709-H711 VanDerWaalsContact O-ND1 3.17Å
710	L	85.9	Confident	91	Very high	42 Å²	42	48.1 Å²	48.1	22%	0.22	23%	0.23	C	C	.	.	S	Bend	trans	63.4	18.6	-179.5	-53.1	170.3	0	0	0	115.2	D707 E708 I737 E747 A751	D707-L710 PolarHBondContact O-N 3.08Å; D707-L710 VanDerWaalsContact O-N 3.15Å; D707-L710 PolarHBondContact OD1-N 3.44Å; D707-L710 VanDerWaalsContact OD1-N 3.08Å; E708-L710 VanDerWaalsContact C-N 3.26Å; E708-L710 PolarHBondContact O-N 3.13Å; L710-I737 HydrophobicContact CD2-CD1 4.22Å; L710-I737 HydrophobicContact CD2-CG1 4.48Å; L710-E747 HydrophobicContact CD1-CB 3.88Å; L710-E747 HydrophobicContact CD1-CG 4.19Å; L710-A751 HydrophobicContact CB-CB 4.41Å
711	H	87.3	Confident	90.9	Very high	115 Å²	115	48.1 Å²	48.1	53%	0.532	23%	0.231	S	C	.	.			trans	-88.3	155.8	171.7	-56.9	94.4	0	0	0	112	L706 D707 D709 K713	L706-H711 CarbonylContact C-O 3.54Å; L706-H711 VanDerWaalsContact CA-O 3.26Å; L706-H711 WeakPolarHBondContact CA-O 3.5Å; D707-H711 PolarHBondContact N-O 3.31Å; D707-H711 WeakPolarHBondContact OD1-CA 3.32Å; D707-H711 PolarHBondContact OD1-N 3.4Å; D707-H711 IonicContact OD1-ND1 3.92Å; D707-H711 WeakPolarHBondContact OD2-CB 3.36Å; D709-H711 VanDerWaalsContact CB-ND1 3.35Å; D709-H711 WeakPolarHBondContact CB-ND1 3.29Å; D709-H711 PolarHBondContact O-CE1 3.47Å; D709-H711 PolarHBondContact O-N 3.5Å; D709-H711 PolarHBondContact O-ND1 3.45Å; D709-H711 VanDerWaalsContact O-ND1 3.17Å; H711-K713 PolarHBondContact O-N 3.16Å
712	V	89.9	Confident	90.8	Very high	20 Å²	20	48.7 Å²	48.7	12%	0.121	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-76.6	112.9	179.6	179.6	0	0	0	0	109.9	L704 L706 Y714 I755	L704-V712 HydrophobicContact CD1-CG1 3.96Å; L704-V712 HydrophobicContact CD1-CG2 4.26Å; L704-V712 HydrophobicContact CD2-CG1 4.21Å; L704-V712 HydrophobicContact CG-CG1 4.49Å; L706-V712 HydrophobicContact CD2-CG2 4.09Å; V712-Y714 VanDerWaalsContact C-N 3.33Å; V712-Y714 PolarHBondContact O-N 2.62Å; V712-I755 HydrophobicContact CG2-CG1 4.1Å
713	K	87.8	Confident	90.6	Very high	119 Å²	119	48.7 Å²	48.7	52%	0.517	24%	0.235	S	C	.	.	S	Bend	trans	-62.4	-35.7	-177.7	-169.5	172.1	-174	170.8	0	113.8	K705 H711	K705-K713 PolarHBondContact O-N 3.02Å; K705-K713 VanDerWaalsContact O-N 3.11Å; H711-K713 PolarHBondContact O-N 3.16Å
714	Y	90.3	Very high	90.5	Very high	49 Å²	49	48.2 Å²	48.2	19%	0.192	23%	0.232	C	C	.	.			trans	-129.2	76.6	-176.7	-57.3	-64	0	0	0	111.9	V712 R716 M717 Y803	V712-Y714 VanDerWaalsContact C-N 3.33Å; V712-Y714 PolarHBondContact O-N 2.62Å; Y714-R716 PolarHBondContact O-N 3.44Å; Y714-M717 WeakPolarHBondContact O-CB 3.4Å; Y714-M717 PolarHBondContact O-N 2.94Å; Y714-Y803 HydrophobicContact CD1-CE2 4.41Å; Y714-Y803 AromaticContact CE1-CD2 3.93Å; Y714-Y803 HydrophobicContact CE1-CD2 3.93Å; Y714-Y803 AromaticContact CE1-CE2 3.79Å; Y714-Y803 HydrophobicContact CE1-CE2 3.79Å; Y714-Y803 HydrophobicContact CE2-CD2 4.26Å; Y714-Y803 HydrophobicContact CE2-CE2 4.29Å; Y714-Y803 AromaticContact CZ-CD2 3.55Å; Y714-Y803 AromaticContact CZ-CE2 3.74Å; Y714-Y803 WeakPolarHBondContact OH-CD2 3.3Å
715	P	91.1	Very high	90.4	Very high	47 Å²	47	49.2 Å²	49.2	31%	0.305	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.3	-176.7	26.1	-34.6	0	0	0	113.1	M717 L718 T719 M758	P715-M717 PolarHBondContact O-N 3.29Å; P715-L718 WeakPolarHBondContact O-CB 3.33Å; P715-L718 PolarHBondContact O-N 3.43Å; P715-T719 PolarHBondContact O-N 3.17Å; P715-M758 HydrophobicContact CB-CE 3.78Å
716	R	92.4	Very high	90.2	Very high	74 Å²	74	47.1 Å²	47.1	28%	0.279	24%	0.237	S	C	.	.	H	α-helix	trans	-59.5	-19.4	177	-68.9	-64.1	-171	-142.1	1.5	114.2	Y714 L718 T719 F720 V837	Y714-R716 PolarHBondContact O-N 3.44Å; R716-L718 VanDerWaalsContact C-N 3.33Å; R716-T719 WeakPolarHBondContact O-CB 3.27Å; R716-T719 PolarHBondContact O-N 2.88Å; R716-F720 PolarHBondContact O-N 2.74Å; R716-V837 HydrophobicContact CB-CG1 3.65Å; R716-V837 WeakPolarHBondContact CB-O 3.37Å
717	M	92.4	Very high	89.8	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-40.1	170.8	-72.3	-174.3	56.5	0	0	112.2	V702 L703 L704 Y714 P715 F720 A721 V798 V837	V702-M717 HydrophobicContact CG1-CB 4.39Å; V702-M717 HydrophobicContact CG1-CE 3.86Å; L703-M717 VanDerWaalsContact O-CE 3.26Å; L703-M717 WeakPolarHBondContact O-CE 3.46Å; L704-M717 HydrophobicContact CD2-CB 3.95Å; L704-M717 HydrophobicContact CD2-CE 4.35Å; L704-M717 HydrophobicContact CD2-SD 4.27Å; Y714-M717 WeakPolarHBondContact O-CB 3.4Å; Y714-M717 PolarHBondContact O-N 2.94Å; P715-M717 PolarHBondContact O-N 3.29Å; M717-F720 PolarHBondContact O-N 3.03Å; M717-A721 WeakPolarHBondContact O-CB 3.41Å; M717-A721 PolarHBondContact O-N 3.33Å; M717-V798 HydrophobicContact CE-CG1 4.42Å; M717-V837 HydrophobicContact CB-CG1 4.48Å; M717-V837 HydrophobicContact CG-CG1 3.66Å; M717-V837 HydrophobicContact CG-CG2 4.33Å
718	L	93.9	Very high	89.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-41.7	175.2	-68.6	178.7	0	0	0	110.7	L704 P715 R716 F720 A721 S722 V733 M758 M759 E762 V764	L704-L718 HydrophobicContact CD1-CD1 3.99Å; L704-L718 HydrophobicContact CD1-CD2 3.99Å; L704-L718 HydrophobicContact CD1-CG 4Å; L704-L718 HydrophobicContact CD2-CG 4.36Å; P715-L718 WeakPolarHBondContact O-CB 3.33Å; P715-L718 PolarHBondContact O-N 3.43Å; R716-L718 VanDerWaalsContact C-N 3.33Å; L718-F720 PolarHBondContact O-N 3.39Å; L718-A721 PolarHBondContact O-N 3.15Å; L718-S722 PolarHBondContact O-N 3.5Å; L718-V733 HydrophobicContact CD2-CG1 4.1Å; L718-V733 HydrophobicContact CD2-CG2 3.67Å; L718-M758 HydrophobicContact CD1-CB 4.17Å; L718-M759 HydrophobicContact CD1-CG 4.24Å; L718-M759 HydrophobicContact CD2-CG 4.37Å; L718-E762 HydrophobicContact CB-CB 4.08Å; L718-E762 HydrophobicContact CB-CG 4.2Å; L718-V764 HydrophobicContact CB-CG2 4.01Å; L718-V764 HydrophobicContact CD2-CG2 4.36Å; L718-V764 VanDerWaalsContact O-CG2 3.28Å; L718-V764 WeakPolarHBondContact O-CG2 3.37Å
719	T	94	Very high	90	Very high	1 Å²	1	45 Å²	45	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-56.2	-51.1	174	-42.5	0	0	0	0	110.4	P715 R716 A721 S722 Q723 E762 N843	P715-T719 PolarHBondContact O-N 3.17Å; R716-T719 WeakPolarHBondContact O-CB 3.27Å; R716-T719 PolarHBondContact O-N 2.88Å; T719-A721 PolarHBondContact O-N 3.07Å; T719-S722 WeakPolarHBondContact O-CB 3.47Å; T719-S722 PolarHBondContact O-N 3.31Å; T719-S722 VanDerWaalsContact O-N 3.16Å; T719-S722 PolarHBondContact O-OG 2.89Å; T719-Q723 VanDerWaalsContact O-CG 3.28Å; T719-Q723 WeakPolarHBondContact O-CG 3.33Å; T719-Q723 PolarHBondContact O-N 3.48Å; T719-E762 WeakPolarHBondContact CB-OE2 3.27Å; T719-E762 WeakPolarHBondContact CG2-OE2 3.14Å; T719-E762 PolarHBondContact OG1-OE2 3.09Å; T719-N843 HydrophobicContact CG2-CB 4.44Å
720	F	93.8	Very high	90.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-45.5	178.1	170.8	-106.2	0	0	0	112.4	R716 M717 L718 S722 Q723 L724 Y840 L871 M1078	R716-F720 PolarHBondContact O-N 2.74Å; M717-F720 PolarHBondContact O-N 3.03Å; L718-F720 PolarHBondContact O-N 3.39Å; F720-S722 VanDerWaalsContact C-N 3.29Å; F720-S722 PolarHBondContact O-N 2.87Å; F720-Q723 WeakPolarHBondContact O-CB 2.93Å; F720-Q723 PolarHBondContact O-N 2.92Å; F720-Q723 VanDerWaalsContact O-N 3.11Å; F720-L724 HydrophobicContact CE1-CD2 4.32Å; F720-L724 HydrophobicContact CZ-CB 4.39Å; F720-L724 HydrophobicContact CZ-CD2 4.11Å; F720-L724 PolarHBondContact O-N 3.38Å; F720-Y840 HydrophobicContact CB-CD1 4.21Å; F720-Y840 AromaticContact CD2-CD1 3.86Å; F720-Y840 HydrophobicContact CD2-CD1 3.86Å; F720-Y840 AromaticContact CD2-CE1 3.68Å; F720-Y840 HydrophobicContact CD2-CE1 3.68Å; F720-Y840 HydrophobicContact CE2-CE1 4.15Å; F720-Y840 HydrophobicContact CG-CD1 4.22Å; F720-Y840 HydrophobicContact CG-CE1 4.18Å; F720-L871 HydrophobicContact CE2-CD1 4.21Å; F720-M1078 HydrophobicContact CD2-CE 4.39Å; F720-M1078 HydrophobicContact CE1-CE 4.09Å; F720-M1078 HydrophobicContact CE2-CE 3.26Å; F720-M1078 HydrophobicContact CZ-CE 3.08Å; F720-M1078 HydrophobicContact CZ-SD 3.91Å
721	A	93.9	Very high	90.9	Very high	1 Å²	1	38 Å²	38	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-59.5	-40.1	176.2	0	0	0	0	0	112	L700 V702 M717 L718 T719 Q723 L724 K725	L700-A721 HydrophobicContact CD1-CB 4.09Å; V702-A721 HydrophobicContact CG2-CB 3.88Å; M717-A721 WeakPolarHBondContact O-CB 3.41Å; M717-A721 PolarHBondContact O-N 3.33Å; L718-A721 PolarHBondContact O-N 3.15Å; T719-A721 PolarHBondContact O-N 3.07Å; A721-Q723 VanDerWaalsContact C-N 3.32Å; A721-Q723 PolarHBondContact O-N 3.43Å; A721-L724 PolarHBondContact O-N 3.15Å; A721-K725 WeakPolarHBondContact O-CB 3.43Å; A721-K725 PolarHBondContact O-N 3.05Å; A721-K725 VanDerWaalsContact O-N 3.07Å
722	S	94.1	Very high	91.3	Very high	11 Å²	11	33 Å²	33	8%	0.077	19%	0.188	C	C	.	.	H	α-helix	trans	-61.6	-40	175.2	85.1	0	0	0	0	112	L718 T719 F720 A726 E762 N843	L718-S722 PolarHBondContact O-N 3.5Å; T719-S722 WeakPolarHBondContact O-CB 3.47Å; T719-S722 PolarHBondContact O-N 3.31Å; T719-S722 VanDerWaalsContact O-N 3.16Å; T719-S722 PolarHBondContact O-OG 2.89Å; F720-S722 VanDerWaalsContact C-N 3.29Å; F720-S722 PolarHBondContact O-N 2.87Å; S722-A726 WeakPolarHBondContact O-CA 3.23Å; S722-A726 PolarHBondContact O-N 3.4Å; S722-E762 WeakPolarHBondContact CB-O 3.31Å; S722-E762 PolarHBondContact OG-O 3.15Å; S722-N843 PolarHBondContact OG-ND2 3.22Å; S722-N843 PolarHBondContact OG-OD1 3.41Å
723	Q	93.4	Very high	91.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-69.9	-42.2	-179.5	-65.5	173.7	9	0	0	111.5	T719 F720 A721 P841 N843 L871	T719-Q723 VanDerWaalsContact O-CG 3.28Å; T719-Q723 WeakPolarHBondContact O-CG 3.33Å; T719-Q723 PolarHBondContact O-N 3.48Å; F720-Q723 WeakPolarHBondContact O-CB 2.93Å; F720-Q723 PolarHBondContact O-N 2.92Å; F720-Q723 VanDerWaalsContact O-N 3.11Å; A721-Q723 VanDerWaalsContact C-N 3.32Å; A721-Q723 PolarHBondContact O-N 3.43Å; Q723-P841 PolarHBondContact NE2-O 3.08Å; Q723-N843 WeakPolarHBondContact CG-OD1 3.5Å; Q723-N843 PolarHBondContact NE2-OD1 3.45Å; Q723-L871 HydrophobicContact CB-CD1 4.08Å
724	L	93.2	Very high	92	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-68.1	-37.3	179.7	-176.3	63.2	0	0	0	112.3	L700 F720 A721 M832 L867 L870	L700-L724 HydrophobicContact CD1-CD2 4.25Å; L700-L724 HydrophobicContact CD2-CD2 4.32Å; F720-L724 HydrophobicContact CE1-CD2 4.32Å; F720-L724 HydrophobicContact CZ-CB 4.39Å; F720-L724 HydrophobicContact CZ-CD2 4.11Å; F720-L724 PolarHBondContact O-N 3.38Å; A721-L724 PolarHBondContact O-N 3.15Å; L724-M832 HydrophobicContact CD2-SD 4.04Å; L724-L867 HydrophobicContact CD1-CD2 4.32Å; L724-L867 HydrophobicContact CD2-CD2 4.49Å; L724-L870 HydrophobicContact CD1-CB 4.3Å
725	K	91.8	Very high	92.3	Very high	27 Å²	27	24.2 Å²	24.2	12%	0.117	15%	0.149	C	C	.	.	H	α-helix	trans	-92.9	-20.4	-176.8	-65.9	-58.2	-56.6	179.8	0	114.1	P698 L700 A721 G727 K728	P698-K725 PolarHBondContact O-NZ 2.98Å; L700-K725 HydrophobicContact CD1-CD 3.91Å; L700-K725 HydrophobicContact CD1-CG 3.5Å; L700-K725 VanDerWaalsContact CD1-CG 3.5Å; L700-K725 HydrophobicContact CG-CD 4.01Å; L700-K725 HydrophobicContact CG-CG 4.09Å; A721-K725 WeakPolarHBondContact O-CB 3.43Å; A721-K725 PolarHBondContact O-N 3.05Å; A721-K725 VanDerWaalsContact O-N 3.07Å; K725-G727 PolarHBondContact O-N 3.47Å; K725-K728 WeakPolarHBondContact CE-O 2.93Å; K725-K728 PolarHBondContact O-N 2.92Å
726	A	86.6	Confident	92.4	Very high	55 Å²	55	23 Å²	23	46%	0.455	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	35.2	-176.8	0	0	0	0	0	113.5	S722 K728	S722-A726 WeakPolarHBondContact O-CA 3.23Å; S722-A726 PolarHBondContact O-N 3.4Å; A726-K728 VanDerWaalsContact C-N 3.35Å; A726-K728 PolarHBondContact O-N 3.31Å
727	G	80.3	Confident	92.5	Very high	36 Å²	36	20.1 Å²	20.1	37%	0.371	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	13.1	-179.2	0	0	0	0	0	116.1	K725	K725-G727 PolarHBondContact O-N 3.47Å
728	K	86.4	Confident	92.5	Very high	152 Å²	152	26.5 Å²	26.5	66%	0.661	16%	0.16	S	C	*	.			trans	-111.5	156.9	177.6	-60	176.9	-176.2	173.8	0	111.3	K725 A726	K725-K728 WeakPolarHBondContact CE-O 2.93Å; K725-K728 PolarHBondContact O-N 2.92Å; A726-K728 VanDerWaalsContact C-N 3.35Å; A726-K728 PolarHBondContact O-N 3.31Å
729	G	87.7	Confident	92.4	Very high	58 Å²	58	27.6 Å²	27.6	60%	0.598	17%	0.172	S	C	*	.	S	Bend	trans	74.2	-171.8	177.3	0	0	0	0	0	114.2
730	L	92.4	Very high	92.4	Very high	16 Å²	16	31.3 Å²	31.3	8%	0.084	19%	0.192	C	C	.	.			trans	-92.1	129.6	-178.9	176.9	63	0	0	0	110.6	Q699 L700 I732 F767 M792	Q699-L730 HydrophobicContact CB-CB 4.32Å; L700-L730 PolarHBondContact N-O 3.39Å; L700-L730 VanDerWaalsContact N-O 3.11Å; L730-I732 HydrophobicContact CD1-CD1 4.36Å; L730-I732 HydrophobicContact CD1-CG1 3.92Å; L730-I732 HydrophobicContact CD2-CD1 4.2Å; L730-I732 HydrophobicContact CD2-CG1 4.49Å; L730-I732 HydrophobicContact CG-CD1 4.4Å; L730-I732 HydrophobicContact CG-CG1 4.14Å; L730-F767 HydrophobicContact CD1-CD2 3.74Å; L730-F767 HydrophobicContact CD1-CE2 3.78Å; L730-M792 HydrophobicContact CD1-CE 3.75Å; L730-M792 HydrophobicContact CD2-CG 3.98Å
731	T	95.8	Very high	92.4	Very high	4 Å²	4	36 Å²	36	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.5	168.6	-52.7	0	0	0	0	108	L700 V702 V764 G766 F767	L700-T731 HydrophobicContact CB-CG2 4.33Å; L700-T731 WeakPolarHBondContact O-CA 3.42Å; V702-T731 HydrophobicContact CG2-CG2 4.25Å; T731-V764 HydrophobicContact CG2-CG1 3.89Å; T731-G766 CarbonylContact O-C 3.49Å; T731-G766 WeakPolarHBondContact O-CA 3.32Å; T731-F767 PolarHBondContact O-N 3.31Å
732	I	96.7	Very high	92.4	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.5	173.9	-57	175.5	0	0	0	106.8	L700 L701 V702 L730 F767 Q769 C787	L700-I732 PolarHBondContact O-N 2.97Å; L701-I732 CarbonylContact C-O 3.59Å; L701-I732 VanDerWaalsContact CA-O 3.31Å; L701-I732 WeakPolarHBondContact CA-O 2.9Å; L701-I732 HydrophobicContact CD1-CB 4.08Å; L701-I732 HydrophobicContact CD1-CG2 3.84Å; V702-I732 PolarHBondContact N-O 3.47Å; L730-I732 HydrophobicContact CD1-CD1 4.36Å; L730-I732 HydrophobicContact CD1-CG1 3.92Å; L730-I732 HydrophobicContact CD2-CD1 4.2Å; L730-I732 HydrophobicContact CD2-CG1 4.49Å; L730-I732 HydrophobicContact CG-CD1 4.4Å; L730-I732 HydrophobicContact CG-CG1 4.14Å; I732-F767 CarbonylContact C-O 3.57Å; I732-F767 WeakPolarHBondContact CA-O 3.41Å; I732-Q769 HydrophobicContact CG2-CB 4.38Å; I732-C787 HydrophobicContact CD1-CB 4.21Å; I732-C787 HydrophobicContact CG2-CB 4.47Å
733	V	96.8	Very high	92.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.7	175.8	-179.2	0	0	0	0	107.6	V702 L704 L718 I755 M759 F767 Q769	V702-V733 WeakPolarHBondContact O-CA 2.86Å; L704-V733 HydrophobicContact CD1-CG1 3.35Å; L704-V733 HydrophobicContact CG-CG1 3.8Å; L718-V733 HydrophobicContact CD2-CG1 4.1Å; L718-V733 HydrophobicContact CD2-CG2 3.67Å; V733-I755 HydrophobicContact CB-CG2 4.43Å; V733-I755 HydrophobicContact CG1-CG2 3.73Å; V733-M759 HydrophobicContact CB-SD 3.93Å; V733-M759 HydrophobicContact CG2-CE 3.81Å; V733-M759 HydrophobicContact CG2-CG 4.14Å; V733-M759 HydrophobicContact CG2-SD 3.65Å; V733-F767 PolarHBondContact N-O 3.3Å; V733-Q769 PolarHBondContact O-N 3.38Å
734	G	95.6	Very high	92.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.7	-178.1	0	0	0	0	0	111.5	V702 L703 L704 Q769	V702-G734 PolarHBondContact O-N 2.89Å; L703-G734 WeakPolarHBondContact CA-O 3.42Å; L704-G734 PolarHBondContact N-O 3.47Å; G734-Q769 CarbonylContact C-O 3.14Å; G734-Q769 VanDerWaalsContact CA-O 3.28Å; G734-Q769 WeakPolarHBondContact CA-O 3.44Å
735	S	95.4	Very high	92.3	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.6	169.4	-161.3	0	0	0	0	112.2	L704 L706 Q769 V770 V771	L704-S735 PolarHBondContact O-OG 2.92Å; L706-S735 WeakPolarHBondContact CD1-OG 3.42Å; L706-S735 WeakPolarHBondContact CG-OG 3.44Å; S735-Q769 PolarHBondContact N-O 3.5Å; S735-V770 WeakPolarHBondContact O-CA 3.33Å; S735-V771 PolarHBondContact O-N 3.38Å
736	V	94.8	Very high	92.4	Very high	21 Å²	21	54.6 Å²	54.6	13%	0.127	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.6	-178.4	-177.2	0	0	0	0	109.4	V771 A773 V776 I780 L783	V736-V771 CarbonylContact C-O 3.47Å; V736-V771 VanDerWaalsContact CA-O 3.28Å; V736-V771 WeakPolarHBondContact CA-O 3.26Å; V736-A773 HydrophobicContact CG1-CB 4.13Å; V736-V776 HydrophobicContact CG1-CG1 4.5Å; V736-I780 HydrophobicContact CG2-CG1 3.9Å; V736-L783 HydrophobicContact CG2-CD1 3.53Å; V736-L783 HydrophobicContact CG2-CG 4.47Å
737	I	94	Very high	92.6	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.072	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128	171.3	-61.2	172.8	0	0	0	107.6	L706 L710 G739 M748 A751 V770 V771 V772 A773	L706-I737 HydrophobicContact CD1-CD1 4.49Å; L706-I737 HydrophobicContact CD1-CG1 3.99Å; L710-I737 HydrophobicContact CD2-CD1 4.22Å; L710-I737 HydrophobicContact CD2-CG1 4.48Å; I737-G739 PolarHBondContact O-N 3.34Å; I737-M748 HydrophobicContact CD1-CB 4.27Å; I737-A751 HydrophobicContact CD1-CB 3.86Å; I737-V770 HydrophobicContact CD1-CG1 3.78Å; I737-V770 HydrophobicContact CG1-CG1 4.01Å; I737-V771 PolarHBondContact N-O 3.29Å; I737-V772 HydrophobicContact CB-CG2 4.37Å; I737-V772 WeakPolarHBondContact O-CA 3.13Å; I737-A773 PolarHBondContact O-N 3.09Å
738	Q	91.9	Very high	93.2	Very high	137 Å²	137	56 Å²	56	64%	0.64	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	113.9	176.4	-176.1	176.4	-15.2	0	0	109.3	A773 V776	Q738-A773 WeakPolarHBondContact CA-O 3.49Å; Q738-V776 HydrophobicContact CB-CG2 3.92Å; Q738-V776 HydrophobicContact CG-CG2 4.35Å
739	G	92.1	Very high	93.5	Very high	24 Å²	24	53.2 Å²	53.2	25%	0.247	29%	0.293	C	S	.	.	S	Bend	trans	171.2	-174	-178.3	0	0	0	0	0	113.5	I737 A773 T774	I737-G739 PolarHBondContact O-N 3.34Å; G739-A773 PolarHBondContact N-O 3.44Å; G739-A773 CarbonylContact O-C 3.6Å; G739-A773 VanDerWaalsContact O-C 3.29Å; G739-T774 PolarHBondContact O-N 3.08Å
740	N	94	Very high	93.8	Very high	79 Å²	79	53.2 Å²	53.2	42%	0.422	29%	0.287	S	S	.	.			trans	-95.2	134.4	170.2	-176.1	21.6	0	0	0	109.4	L742 D743 S744	N740-L742 VanDerWaalsContact C-N 3.29Å; N740-L742 PolarHBondContact O-N 3.18Å; N740-D743 WeakPolarHBondContact CB-OD2 3.04Å; N740-D743 PolarHBondContact ND2-OD2 3.33Å; N740-D743 PolarHBondContact O-N 3.44Å; N740-S744 PolarHBondContact O-N 3.4Å
741	F	93	Very high	93.8	Very high	101 Å²	101	52.4 Å²	52.4	44%	0.443	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-33.8	-174.7	177.5	-100.6	0	0	0	113.2	D743 Y745 M748 V772	F741-D743 VanDerWaalsContact C-N 3.25Å; F741-D743 PolarHBondContact O-N 3.07Å; F741-Y745 HydrophobicContact CE1-CD2 4.24Å; F741-Y745 AromaticContact CE2-CD2 3.73Å; F741-Y745 HydrophobicContact CE2-CD2 3.73Å; F741-Y745 HydrophobicContact CE2-CE2 4.37Å; F741-Y745 AromaticContact CZ-CD2 3.47Å; F741-Y745 HydrophobicContact CZ-CD2 3.47Å; F741-Y745 VanDerWaalsContact CZ-CD2 3.47Å; F741-Y745 AromaticContact CZ-CE2 3.93Å; F741-Y745 HydrophobicContact CZ-CE2 3.93Å; F741-Y745 WeakPolarHBondContact O-CB 3.48Å; F741-Y745 PolarHBondContact O-N 2.96Å; F741-M748 HydrophobicContact CD2-SD 4.47Å; F741-M748 HydrophobicContact CE2-CE 4.14Å; F741-M748 HydrophobicContact CE2-SD 3.94Å; F741-V772 HydrophobicContact CB-CB 4.38Å; F741-V772 HydrophobicContact CB-CG1 4.47Å; F741-V772 HydrophobicContact CD2-CB 4.16Å; F741-V772 HydrophobicContact CD2-CG2 4.19Å
742	L	94.6	Very high	93.7	Very high	140 Å²	140	54.8 Å²	54.8	73%	0.733	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-34.8	-179	-62.1	176.2	0	0	0	112.2	N740	N740-L742 VanDerWaalsContact C-N 3.29Å; N740-L742 PolarHBondContact O-N 3.18Å
743	D	93.9	Very high	93.5	Very high	127 Å²	127	59.1 Å²	59.1	68%	0.679	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-41.9	-174.9	-50.8	-49.4	0	0	0	110.8	N740 F741 Y745	N740-D743 WeakPolarHBondContact CB-OD2 3.04Å; N740-D743 PolarHBondContact ND2-OD2 3.33Å; N740-D743 PolarHBondContact O-N 3.44Å; F741-D743 VanDerWaalsContact C-N 3.25Å; F741-D743 PolarHBondContact O-N 3.07Å; D743-Y745 PolarHBondContact O-N 3.07Å
744	S	91.8	Very high	93.3	Very high	13 Å²	13	60.8 Å²	60.8	9%	0.091	33%	0.327	C	S	.	.	S	Bend	trans	-93.4	17.9	-175.5	-64.7	0	0	0	0	114.7	N740 G746 E747 M748	N740-S744 PolarHBondContact O-N 3.4Å; S744-G746 PolarHBondContact O-N 3.28Å; S744-E747 VanDerWaalsContact CB-OE2 3.25Å; S744-E747 WeakPolarHBondContact CB-OE2 3.21Å; S744-E747 PolarHBondContact O-N 3.19Å; S744-E747 PolarHBondContact OG-OE2 2.76Å; S744-M748 PolarHBondContact O-N 3Å
745	Y	93	Very high	93.3	Very high	111 Å²	111	60.8 Å²	60.8	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-42.1	178.1	177.5	-103.6	0	0	0	112.6	F741 D743 M748 Q749	F741-Y745 HydrophobicContact CE1-CD2 4.24Å; F741-Y745 AromaticContact CE2-CD2 3.73Å; F741-Y745 HydrophobicContact CE2-CD2 3.73Å; F741-Y745 HydrophobicContact CE2-CE2 4.37Å; F741-Y745 AromaticContact CZ-CD2 3.47Å; F741-Y745 HydrophobicContact CZ-CD2 3.47Å; F741-Y745 VanDerWaalsContact CZ-CD2 3.47Å; F741-Y745 AromaticContact CZ-CE2 3.93Å; F741-Y745 HydrophobicContact CZ-CE2 3.93Å; F741-Y745 WeakPolarHBondContact O-CB 3.48Å; F741-Y745 PolarHBondContact O-N 2.96Å; D743-Y745 PolarHBondContact O-N 3.07Å; Y745-M748 HydrophobicContact CD2-CE 3.82Å; Y745-M748 HydrophobicContact CE2-CE 3.76Å; Y745-M748 WeakPolarHBondContact O-CB 3.49Å; Y745-M748 PolarHBondContact O-N 3.3Å; Y745-Q749 HydrophobicContact CE1-CG 4.29Å; Y745-Q749 PolarHBondContact O-N 2.99Å; Y745-Q749 PolarHBondContact OH-NE2 3.2Å
746	G	93.2	Very high	93.2	Very high	46 Å²	46	64.3 Å²	64.3	47%	0.474	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-41.3	177.6	0	0	0	0	0	112.4	S744 M748 Q749 A750	S744-G746 PolarHBondContact O-N 3.28Å; G746-M748 VanDerWaalsContact C-N 3.33Å; G746-M748 PolarHBondContact O-N 2.97Å; G746-Q749 PolarHBondContact O-N 3.08Å; G746-A750 PolarHBondContact O-N 3.03Å
747	E	91.6	Very high	93.2	Very high	94 Å²	94	66.8 Å²	66.8	44%	0.439	36%	0.355	S	S	.	.	H	α-helix	trans	-62.2	-40.2	175.2	-65.9	173.5	171.2	0	0	111.7	L710 S744 Q749 A750 A751	L710-E747 HydrophobicContact CD1-CB 3.88Å; L710-E747 HydrophobicContact CD1-CG 4.19Å; S744-E747 VanDerWaalsContact CB-OE2 3.25Å; S744-E747 WeakPolarHBondContact CB-OE2 3.21Å; S744-E747 PolarHBondContact O-N 3.19Å; S744-E747 PolarHBondContact OG-OE2 2.76Å; E747-Q749 PolarHBondContact O-N 2.7Å; E747-A750 PolarHBondContact O-N 2.88Å; E747-A751 VanDerWaalsContact O-CB 3.3Å; E747-A751 WeakPolarHBondContact O-CB 3.32Å; E747-A751 PolarHBondContact O-N 3.39Å
748	M	93	Very high	93.1	Very high	26 Å²	26	68.7 Å²	68.7	13%	0.128	36%	0.364	C	S	.	.	H	α-helix	trans	-59.7	-45.9	175.5	-175.8	-164.8	72.8	0	0	112	I737 F741 S744 Y745 G746 A751 E752 V770 V772	I737-M748 HydrophobicContact CD1-CB 4.27Å; F741-M748 HydrophobicContact CD2-SD 4.47Å; F741-M748 HydrophobicContact CE2-CE 4.14Å; F741-M748 HydrophobicContact CE2-SD 3.94Å; S744-M748 PolarHBondContact O-N 3Å; Y745-M748 HydrophobicContact CD2-CE 3.82Å; Y745-M748 HydrophobicContact CE2-CE 3.76Å; Y745-M748 WeakPolarHBondContact O-CB 3.49Å; Y745-M748 PolarHBondContact O-N 3.3Å; G746-M748 VanDerWaalsContact C-N 3.33Å; G746-M748 PolarHBondContact O-N 2.97Å; M748-A751 PolarHBondContact O-N 2.92Å; M748-E752 WeakPolarHBondContact O-CB 3.3Å; M748-E752 PolarHBondContact O-N 2.95Å; M748-V770 HydrophobicContact CG-CB 4.12Å; M748-V770 HydrophobicContact CG-CG1 3.9Å; M748-V772 HydrophobicContact CB-CG2 3.81Å; M748-V772 HydrophobicContact CG-CG2 3.99Å; M748-V772 HydrophobicContact SD-CG2 4.04Å
749	Q	93.2	Very high	93.2	Very high	94 Å²	94	62.5 Å²	62.5	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-64.5	-41.9	177.7	-69.1	-171.8	-13.9	0	0	112	Y745 G746 E747 E752 Q753	Y745-Q749 HydrophobicContact CE1-CG 4.29Å; Y745-Q749 PolarHBondContact O-N 2.99Å; Y745-Q749 PolarHBondContact OH-NE2 3.2Å; G746-Q749 PolarHBondContact O-N 3.08Å; E747-Q749 PolarHBondContact O-N 2.7Å; Q749-E752 PolarHBondContact O-N 3.06Å; Q749-Q753 PolarHBondContact O-N 3.44Å; Q749-Q753 VanDerWaalsContact O-N 3.09Å
750	A	92.1	Very high	93.3	Very high	57 Å²	57	68.4 Å²	68.4	47%	0.471	36%	0.356	S	S	.	.	H	α-helix	trans	-63.9	-45.4	177.6	0	0	0	0	0	111.7	G746 E747 E752 Q753 A754	G746-A750 PolarHBondContact O-N 3.03Å; E747-A750 PolarHBondContact O-N 2.88Å; A750-E752 PolarHBondContact O-N 3.36Å; A750-Q753 PolarHBondContact O-N 3.18Å; A750-A754 PolarHBondContact O-N 3.13Å
751	A	93.3	Very high	93.2	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-40.3	176.2	0	0	0	0	0	112	L706 L710 I737 E747 M748 Q753 A754 I755	L706-A751 HydrophobicContact CD1-CB 4.08Å; L710-A751 HydrophobicContact CB-CB 4.41Å; I737-A751 HydrophobicContact CD1-CB 3.86Å; E747-A751 VanDerWaalsContact O-CB 3.3Å; E747-A751 WeakPolarHBondContact O-CB 3.32Å; E747-A751 PolarHBondContact O-N 3.39Å; M748-A751 PolarHBondContact O-N 2.92Å; A751-Q753 VanDerWaalsContact C-N 3.33Å; A751-Q753 PolarHBondContact O-N 2.89Å; A751-A754 PolarHBondContact O-N 3.2Å; A751-I755 VanDerWaalsContact O-CG1 3.26Å; A751-I755 WeakPolarHBondContact O-CG1 3.46Å; A751-I755 PolarHBondContact O-N 3.47Å
752	E	94.2	Very high	93.1	Very high	53 Å²	53	66.4 Å²	66.4	25%	0.248	35%	0.349	C	S	.	.	H	α-helix	trans	-60.8	-43.2	176.1	-166.4	-171.8	158.8	0	0	111.3	M748 Q749 A750 I755 K756 C768 V770	M748-E752 WeakPolarHBondContact O-CB 3.3Å; M748-E752 PolarHBondContact O-N 2.95Å; Q749-E752 PolarHBondContact O-N 3.06Å; A750-E752 PolarHBondContact O-N 3.36Å; E752-I755 PolarHBondContact O-N 2.78Å; E752-K756 WeakPolarHBondContact O-CG 3.46Å; E752-K756 PolarHBondContact O-N 3.09Å; E752-K756 WeakPolarHBondContact OE1-CE 3.26Å; E752-K756 IonicContact OE1-NZ 2.67Å; E752-K756 PolarHBondContact OE1-NZ 2.81Å; E752-C768 HydrophobicContact CG-CB 4.28Å; E752-V770 HydrophobicContact CB-CG2 4.02Å; E752-V770 HydrophobicContact CG-CG2 4.25Å
753	Q	92.9	Very high	93	Very high	103 Å²	103	68.2 Å²	68.2	48%	0.481	35%	0.345	S	S	.	.	H	α-helix	trans	-68	-39.6	176.9	-167.8	61.6	20.1	0	0	112.2	Q749 A750 A751 I755 K756 N757	Q749-Q753 PolarHBondContact O-N 3.44Å; Q749-Q753 VanDerWaalsContact O-N 3.09Å; A750-Q753 PolarHBondContact O-N 3.18Å; A751-Q753 VanDerWaalsContact C-N 3.33Å; A751-Q753 PolarHBondContact O-N 2.89Å; Q753-I755 PolarHBondContact O-N 3.49Å; Q753-K756 PolarHBondContact O-N 2.83Å; Q753-N757 PolarHBondContact NE2-OD1 2.73Å; Q753-N757 PolarHBondContact O-N 3.48Å; Q753-N757 PolarHBondContact O-ND2 3.42Å; Q753-N757 PolarHBondContact O-OD1 3.46Å
754	A	92.4	Very high	92.9	Very high	35 Å²	35	62.8 Å²	62.8	29%	0.289	32%	0.317	S	S	.	.	H	α-helix	trans	-60.8	-44	174.9	0	0	0	0	0	111.7	A750 A751 N757 M758	A750-A754 PolarHBondContact O-N 3.13Å; A751-A754 PolarHBondContact O-N 3.2Å; A754-N757 PolarHBondContact O-N 2.99Å; A754-M758 WeakPolarHBondContact O-CG 3.04Å; A754-M758 PolarHBondContact O-N 2.95Å
755	I	94.6	Very high	93	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-43.4	176.2	-66.1	164.5	0	0	0	110.7	L704 L706 V712 V733 A751 E752 Q753 N757 M758 M759 C768 V770	L704-I755 HydrophobicContact CD1-CG2 4.36Å; L706-I755 HydrophobicContact CD2-CD1 4.28Å; L706-I755 HydrophobicContact CD2-CG1 4.38Å; V712-I755 HydrophobicContact CG2-CG1 4.1Å; V733-I755 HydrophobicContact CB-CG2 4.43Å; V733-I755 HydrophobicContact CG1-CG2 3.73Å; A751-I755 VanDerWaalsContact O-CG1 3.26Å; A751-I755 WeakPolarHBondContact O-CG1 3.46Å; A751-I755 PolarHBondContact O-N 3.47Å; E752-I755 PolarHBondContact O-N 2.78Å; Q753-I755 PolarHBondContact O-N 3.49Å; I755-N757 PolarHBondContact O-N 2.89Å; I755-M758 PolarHBondContact O-N 3.35Å; I755-M759 HydrophobicContact CG2-CG 4.29Å; I755-M759 HydrophobicContact CG2-SD 4.08Å; I755-M759 VanDerWaalsContact O-CG 3.29Å; I755-M759 WeakPolarHBondContact O-CG 3.12Å; I755-M759 PolarHBondContact O-N 3.47Å; I755-C768 VanDerWaalsContact CG2-SG 3.54Å; I755-V770 HydrophobicContact CD1-CG2 3.75Å
756	K	94.8	Very high	92.9	Very high	75 Å²	75	66.1 Å²	66.1	33%	0.326	34%	0.342	S	S	.	.	H	α-helix	trans	-59.8	-45.6	176.7	-76.3	172.9	-175.4	165	0	112	E752 Q753 M758 M759 E760 C768	E752-K756 WeakPolarHBondContact O-CG 3.46Å; E752-K756 PolarHBondContact O-N 3.09Å; E752-K756 WeakPolarHBondContact OE1-CE 3.26Å; E752-K756 IonicContact OE1-NZ 2.67Å; E752-K756 PolarHBondContact OE1-NZ 2.81Å; Q753-K756 PolarHBondContact O-N 2.83Å; K756-M758 VanDerWaalsContact C-N 3.3Å; K756-M758 PolarHBondContact O-N 2.98Å; K756-M759 WeakPolarHBondContact O-CB 3.19Å; K756-M759 PolarHBondContact O-N 3.44Å; K756-M759 VanDerWaalsContact O-N 3.15Å; K756-E760 PolarHBondContact O-N 3.02Å; K756-C768 HydrophobicContact CG-CB 3.99Å
757	N	93.6	Very high	93	Very high	74 Å²	74	69.9 Å²	69.9	40%	0.396	35%	0.346	S	S	.	.	H	α-helix	trans	-59.2	-43.1	175.5	-67.2	-12.7	0	0	0	111	Q753 A754 I755 M759 E760 I761	Q753-N757 PolarHBondContact NE2-OD1 2.73Å; Q753-N757 PolarHBondContact O-N 3.48Å; Q753-N757 PolarHBondContact O-ND2 3.42Å; Q753-N757 PolarHBondContact O-OD1 3.46Å; A754-N757 PolarHBondContact O-N 2.99Å; I755-N757 PolarHBondContact O-N 2.89Å; N757-M759 PolarHBondContact O-N 3.25Å; N757-E760 PolarHBondContact O-N 2.71Å; N757-I761 VanDerWaalsContact O-CG1 3.31Å; N757-I761 WeakPolarHBondContact O-CG1 3.46Å; N757-I761 PolarHBondContact O-N 3.07Å
758	M	92.6	Very high	93.2	Very high	53 Å²	53	66.1 Å²	66.1	26%	0.261	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-36	175.7	-72	-57.2	-64	0	0	113.2	P715 L718 A754 I755 K756 E760 I761 E762	P715-M758 HydrophobicContact CB-CE 3.78Å; L718-M758 HydrophobicContact CD1-CB 4.17Å; A754-M758 WeakPolarHBondContact O-CG 3.04Å; A754-M758 PolarHBondContact O-N 2.95Å; I755-M758 PolarHBondContact O-N 3.35Å; K756-M758 VanDerWaalsContact C-N 3.3Å; K756-M758 PolarHBondContact O-N 2.98Å; M758-E760 VanDerWaalsContact C-N 3.33Å; M758-I761 PolarHBondContact O-N 2.82Å; M758-I761 HydrophobicContact SD-CD1 3.94Å; M758-E762 WeakPolarHBondContact O-CB 3.34Å; M758-E762 PolarHBondContact O-N 3.33Å
759	M	93.9	Very high	93.3	Very high	8 Å²	8	69.3 Å²	69.3	4%	0.039	34%	0.344	C	S	.	.	H	α-helix	trans	-63	-39.6	173.9	-72.7	174	65.3	0	0	111.6	L718 V733 I755 K756 N757 R763 V764 C768	L718-M759 HydrophobicContact CD1-CG 4.24Å; L718-M759 HydrophobicContact CD2-CG 4.37Å; V733-M759 HydrophobicContact CB-SD 3.93Å; V733-M759 HydrophobicContact CG2-CE 3.81Å; V733-M759 HydrophobicContact CG2-CG 4.14Å; V733-M759 HydrophobicContact CG2-SD 3.65Å; I755-M759 HydrophobicContact CG2-CG 4.29Å; I755-M759 HydrophobicContact CG2-SD 4.08Å; I755-M759 VanDerWaalsContact O-CG 3.29Å; I755-M759 WeakPolarHBondContact O-CG 3.12Å; I755-M759 PolarHBondContact O-N 3.47Å; K756-M759 WeakPolarHBondContact O-CB 3.19Å; K756-M759 PolarHBondContact O-N 3.44Å; K756-M759 VanDerWaalsContact O-N 3.15Å; N757-M759 PolarHBondContact O-N 3.25Å; M759-R763 PolarHBondContact O-N 3.5Å; M759-V764 HydrophobicContact CB-CB 4.21Å; M759-V764 HydrophobicContact CE-CB 4.48Å; M759-V764 HydrophobicContact CE-CG1 3.98Å; M759-V764 HydrophobicContact CG-CB 4.39Å; M759-V764 PolarHBondContact O-N 3.44Å; M759-C768 HydrophobicContact SD-CB 4.23Å
760	E	93.4	Very high	93.4	Very high	147 Å²	147	65.3 Å²	65.3	69%	0.687	33%	0.326	S	S	*	.	H	α-helix	trans	-66	-45.4	176.1	-71.1	-177.9	-178.3	0	0	112	K756 N757 M758 E762 R763	K756-E760 PolarHBondContact O-N 3.02Å; N757-E760 PolarHBondContact O-N 2.71Å; M758-E760 VanDerWaalsContact C-N 3.33Å; E760-E762 VanDerWaalsContact C-N 3.34Å; E760-E762 PolarHBondContact O-N 3.47Å; E760-R763 PolarHBondContact O-N 3.38Å; E760-R763 VanDerWaalsContact O-N 3.08Å
761	I	92.4	Very high	93.5	Very high	114 Å²	114	64.4 Å²	64.4	59%	0.585	32%	0.315	S	S	*	.	H	α-helix	trans	-57.5	-47.6	176.6	-67.8	164.5	0	0	0	110.6	N757 M758 R763	N757-I761 VanDerWaalsContact O-CG1 3.31Å; N757-I761 WeakPolarHBondContact O-CG1 3.46Å; N757-I761 PolarHBondContact O-N 3.07Å; M758-I761 PolarHBondContact O-N 2.82Å; M758-I761 HydrophobicContact SD-CD1 3.94Å; I761-R763 PolarHBondContact O-N 2.93Å
762	E	90.9	Very high	93.6	Very high	25 Å²	25	65.3 Å²	65.3	12%	0.117	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2.6	-179.6	-65.6	-62.3	158.8	0	0	113.6	L718 T719 S722 M758 E760 V764 N843	L718-E762 HydrophobicContact CB-CB 4.08Å; L718-E762 HydrophobicContact CB-CG 4.2Å; T719-E762 WeakPolarHBondContact CB-OE2 3.27Å; T719-E762 WeakPolarHBondContact CG2-OE2 3.14Å; T719-E762 PolarHBondContact OG1-OE2 3.09Å; S722-E762 WeakPolarHBondContact CB-O 3.31Å; S722-E762 PolarHBondContact OG-O 3.15Å; M758-E762 WeakPolarHBondContact O-CB 3.34Å; M758-E762 PolarHBondContact O-N 3.33Å; E760-E762 VanDerWaalsContact C-N 3.34Å; E760-E762 PolarHBondContact O-N 3.47Å; E762-V764 VanDerWaalsContact C-N 3.3Å; E762-V764 HydrophobicContact CB-CG2 4.31Å; E762-V764 PolarHBondContact O-N 3.12Å; E762-N843 PolarHBondContact O-ND2 3.41Å; E762-N843 VanDerWaalsContact O-ND2 3.15Å
763	R	91.5	Very high	93.7	Very high	177 Å²	177	63.5 Å²	63.5	67%	0.668	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	35	179.9	-55.5	-175.5	175.9	-166.7	-2.7	114.3	M759 E760 I761	M759-R763 PolarHBondContact O-N 3.5Å; E760-R763 PolarHBondContact O-N 3.38Å; E760-R763 VanDerWaalsContact O-N 3.08Å; I761-R763 PolarHBondContact O-N 2.93Å
764	V	93.3	Very high	93.6	Very high	13 Å²	13	63.1 Å²	63.1	8%	0.079	32%	0.319	C	S	.	.			trans	-84	112.7	173	-178.9	0	0	0	0	109.5	L718 T731 M759 E762	L718-V764 HydrophobicContact CB-CG2 4.01Å; L718-V764 HydrophobicContact CD2-CG2 4.36Å; L718-V764 VanDerWaalsContact O-CG2 3.28Å; L718-V764 WeakPolarHBondContact O-CG2 3.37Å; T731-V764 HydrophobicContact CG2-CG1 3.89Å; M759-V764 HydrophobicContact CB-CB 4.21Å; M759-V764 HydrophobicContact CE-CB 4.48Å; M759-V764 HydrophobicContact CE-CG1 3.98Å; M759-V764 HydrophobicContact CG-CB 4.39Å; M759-V764 PolarHBondContact O-N 3.44Å; E762-V764 VanDerWaalsContact C-N 3.3Å; E762-V764 HydrophobicContact CB-CG2 4.31Å; E762-V764 PolarHBondContact O-N 3.12Å
765	K	92.6	Very high	93.6	Very high	159 Å²	159	66.2 Å²	66.2	69%	0.691	33%	0.325	S	S	*	.			trans	-85.8	110.5	169.4	-64.8	-175	178.7	-175.6	0	109.1
766	G	92.4	Very high	93.4	Very high	35 Å²	35	68.3 Å²	68.3	36%	0.361	34%	0.338	S	S	.	.	S	Bend	trans	-174.7	-169.9	-176.1	0	0	0	0	0	113.5	T731	T731-G766 CarbonylContact O-C 3.49Å; T731-G766 WeakPolarHBondContact O-CA 3.32Å
767	F	95	Very high	93.3	Very high	126 Å²	126	70.4 Å²	70.4	55%	0.553	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	147.4	177.6	-56.4	-82.4	0	0	0	110.3	L730 T731 I732 V733 M792	L730-F767 HydrophobicContact CD1-CD2 3.74Å; L730-F767 HydrophobicContact CD1-CE2 3.78Å; T731-F767 PolarHBondContact O-N 3.31Å; I732-F767 CarbonylContact C-O 3.57Å; I732-F767 WeakPolarHBondContact CA-O 3.41Å; V733-F767 PolarHBondContact N-O 3.3Å; F767-M792 HydrophobicContact CE2-CE 3.69Å; F767-M792 HydrophobicContact CZ-CE 4.15Å
768	C	95.4	Very high	93.3	Very high	14 Å²	14	70 Å²	70	10%	0.095	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.1	173.4	-174.5	0	0	0	0	109.1	E752 I755 K756 M759	E752-C768 HydrophobicContact CG-CB 4.28Å; I755-C768 VanDerWaalsContact CG2-SG 3.54Å; K756-C768 HydrophobicContact CG-CB 3.99Å; M759-C768 HydrophobicContact SD-CB 4.23Å
769	Q	95.4	Very high	93.4	Very high	94 Å²	94	67.5 Å²	67.5	44%	0.439	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	112.3	174.7	-172.3	68.8	31.4	0	0	108.9	I732 V733 G734 S735 L783	I732-Q769 HydrophobicContact CG2-CB 4.38Å; V733-Q769 PolarHBondContact O-N 3.38Å; G734-Q769 CarbonylContact C-O 3.14Å; G734-Q769 VanDerWaalsContact CA-O 3.28Å; G734-Q769 WeakPolarHBondContact CA-O 3.44Å; S735-Q769 PolarHBondContact N-O 3.5Å; Q769-L783 HydrophobicContact CB-CD2 4.42Å; Q769-L783 HydrophobicContact CG-CD2 3.79Å
770	V	94.8	Very high	93.4	Very high	9 Å²	9	68.1 Å²	68.1	6%	0.055	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.7	175.4	-173.6	0	0	0	0	108.8	S735 I737 M748 E752 I755	S735-V770 WeakPolarHBondContact O-CA 3.33Å; I737-V770 HydrophobicContact CD1-CG1 3.78Å; I737-V770 HydrophobicContact CG1-CG1 4.01Å; M748-V770 HydrophobicContact CG-CB 4.12Å; M748-V770 HydrophobicContact CG-CG1 3.9Å; E752-V770 HydrophobicContact CB-CG2 4.02Å; E752-V770 HydrophobicContact CG-CG2 4.25Å; I755-V770 HydrophobicContact CD1-CG2 3.75Å
771	V	95.2	Very high	93.5	Very high	39 Å²	39	62.2 Å²	62.2	24%	0.236	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.2	179.3	173.4	0	0	0	0	109.5	S735 V736 I737 L783	S735-V771 PolarHBondContact O-N 3.38Å; V736-V771 CarbonylContact C-O 3.47Å; V736-V771 VanDerWaalsContact CA-O 3.28Å; V736-V771 WeakPolarHBondContact CA-O 3.26Å; I737-V771 PolarHBondContact N-O 3.29Å; V771-L783 HydrophobicContact CB-CD2 4.44Å; V771-L783 HydrophobicContact CG2-CD2 3.63Å; V771-L783 HydrophobicContact CG2-CG 4.26Å
772	V	95.3	Very high	93.6	Very high	19 Å²	19	61.2 Å²	61.2	12%	0.115	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126	170.1	-174.2	0	0	0	0	108.6	I737 F741 M748	I737-V772 HydrophobicContact CB-CG2 4.37Å; I737-V772 WeakPolarHBondContact O-CA 3.13Å; F741-V772 HydrophobicContact CB-CB 4.38Å; F741-V772 HydrophobicContact CB-CG1 4.47Å; F741-V772 HydrophobicContact CD2-CB 4.16Å; F741-V772 HydrophobicContact CD2-CG2 4.19Å; M748-V772 HydrophobicContact CB-CG2 3.81Å; M748-V772 HydrophobicContact CG-CG2 3.99Å; M748-V772 HydrophobicContact SD-CG2 4.04Å
773	A	94.6	Very high	93.9	Very high	14 Å²	14	60 Å²	60	12%	0.116	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.2	179.1	0	0	0	0	0	111.3	V736 I737 Q738 G739 K775	V736-A773 HydrophobicContact CG1-CB 4.13Å; I737-A773 PolarHBondContact O-N 3.09Å; Q738-A773 WeakPolarHBondContact CA-O 3.49Å; G739-A773 PolarHBondContact N-O 3.44Å; G739-A773 CarbonylContact O-C 3.6Å; G739-A773 VanDerWaalsContact O-C 3.29Å; A773-K775 PolarHBondContact O-N 3.43Å
774	T	92.5	Very high	94.1	Very high	95 Å²	95	51.9 Å²	51.9	58%	0.583	26%	0.264	S	S	*	.	S	Bend	trans	-63	-33.8	176.7	55.8	0	0	0	0	112.1	G739	G739-T774 PolarHBondContact O-N 3.08Å
775	K	91.9	Very high	94	Very high	100 Å²	100	58 Å²	58	44%	0.435	29%	0.292	S	S	.	.	S	Bend	trans	-126.9	127.6	175.9	-65.5	174	-176.9	166.3	0	110.3	A773 R777 E778 G779	A773-K775 PolarHBondContact O-N 3.43Å; K775-R777 VanDerWaalsContact C-N 3.25Å; K775-R777 HydrophobicContact CB-CG 4.2Å; K775-R777 PolarHBondContact O-N 3.27Å; K775-E778 HydrophobicContact CB-CB 4.46Å; K775-E778 WeakPolarHBondContact CD-OE1 3.19Å; K775-E778 IonicContact NZ-OE1 3.33Å; K775-E778 PolarHBondContact O-N 3.02Å; K775-G779 PolarHBondContact O-N 3.11Å; K775-G779 VanDerWaalsContact O-N 3.16Å
776	V	91.1	Very high	94.1	Very high	45 Å²	45	54.4 Å²	54.4	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-55.1	-40.7	179.1	-179.7	0	0	0	0	112.1	V736 Q738 E778 G779 I780	V736-V776 HydrophobicContact CG1-CG1 4.5Å; Q738-V776 HydrophobicContact CB-CG2 3.92Å; Q738-V776 HydrophobicContact CG-CG2 4.35Å; V776-E778 VanDerWaalsContact C-N 3.29Å; V776-E778 PolarHBondContact O-N 2.91Å; V776-G779 PolarHBondContact O-N 2.92Å; V776-I780 HydrophobicContact CG1-CD1 3.77Å; V776-I780 HydrophobicContact CG1-CG1 4.26Å; V776-I780 WeakPolarHBondContact O-CG1 3.37Å; V776-I780 PolarHBondContact O-N 2.91Å
777	R	91.6	Very high	94.1	Very high	118 Å²	118	53.3 Å²	53.3	45%	0.445	27%	0.273	S	S	.	.	H	α-helix	trans	-58.4	-38.3	179.1	76.3	-173.3	-176	168.3	4.5	113.3	K775 A781 T816	K775-R777 VanDerWaalsContact C-N 3.25Å; K775-R777 HydrophobicContact CB-CG 4.2Å; K775-R777 PolarHBondContact O-N 3.27Å; R777-A781 WeakPolarHBondContact O-CB 3.46Å; R777-A781 PolarHBondContact O-N 3.1Å; R777-T816 HydrophobicContact CB-CG2 4.45Å
778	E	93.1	Very high	93.9	Very high	66 Å²	66	49.4 Å²	49.4	31%	0.308	27%	0.269	S	S	.	.	H	α-helix	trans	-78.3	-41.4	-177.8	-78.8	160.1	-148.4	0	0	109.5	K775 V776 I780 A781 H782	K775-E778 HydrophobicContact CB-CB 4.46Å; K775-E778 WeakPolarHBondContact CD-OE1 3.19Å; K775-E778 IonicContact NZ-OE1 3.33Å; K775-E778 PolarHBondContact O-N 3.02Å; V776-E778 VanDerWaalsContact C-N 3.29Å; V776-E778 PolarHBondContact O-N 2.91Å; E778-I780 PolarHBondContact O-N 3.2Å; E778-A781 PolarHBondContact O-N 2.9Å; E778-H782 PolarHBondContact O-CD2 2.95Å; E778-H782 PolarHBondContact O-N 2.84Å
779	G	94.6	Very high	93.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.8	-44.3	172.5	0	0	0	0	0	113	K775 V776 H782 L783	K775-G779 PolarHBondContact O-N 3.11Å; K775-G779 VanDerWaalsContact O-N 3.16Å; V776-G779 PolarHBondContact O-N 2.92Å; G779-H782 PolarHBondContact O-N 3.46Å; G779-L783 WeakPolarHBondContact O-CG 3.38Å; G779-L783 PolarHBondContact O-N 3.08Å
780	I	95	Very high	93	Very high	21 Å²	21	52.3 Å²	52.3	11%	0.108	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-44.9	177.4	-68.3	172.1	0	0	0	110.9	L703 V736 V776 E778 H782 L783 I784 T816 T820	L703-I780 HydrophobicContact CD1-CG2 3.78Å; V736-I780 HydrophobicContact CG2-CG1 3.9Å; V776-I780 HydrophobicContact CG1-CD1 3.77Å; V776-I780 HydrophobicContact CG1-CG1 4.26Å; V776-I780 WeakPolarHBondContact O-CG1 3.37Å; V776-I780 PolarHBondContact O-N 2.91Å; E778-I780 PolarHBondContact O-N 3.2Å; I780-H782 VanDerWaalsContact C-N 3.28Å; I780-H782 PolarHBondContact O-N 3.28Å; I780-L783 PolarHBondContact O-N 3.4Å; I780-I784 HydrophobicContact CG2-CD1 3.87Å; I780-I784 HydrophobicContact CG2-CG1 4.48Å; I780-I784 WeakPolarHBondContact O-CG1 3.32Å; I780-I784 PolarHBondContact O-N 2.84Å; I780-T816 HydrophobicContact CD1-CG2 3.96Å; I780-T820 HydrophobicContact CG2-CG2 3.61Å
781	A	95	Very high	92.4	Very high	24 Å²	24	53.9 Å²	53.9	20%	0.198	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-41	177	0	0	0	0	0	111.5	R777 E778 I784 Q785	R777-A781 WeakPolarHBondContact O-CB 3.46Å; R777-A781 PolarHBondContact O-N 3.1Å; E778-A781 PolarHBondContact O-N 2.9Å; A781-I784 PolarHBondContact O-N 2.95Å; A781-Q785 WeakPolarHBondContact O-CG 3.3Å; A781-Q785 PolarHBondContact O-N 2.92Å
782	H	95.4	Very high	92.2	Very high	92 Å²	92	55.8 Å²	55.8	43%	0.426	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-42.7	175.9	-66.1	170.1	0	0	0	112.4	E778 G779 I780 I784 Q785 S786	E778-H782 PolarHBondContact O-CD2 2.95Å; E778-H782 PolarHBondContact O-N 2.84Å; G779-H782 PolarHBondContact O-N 3.46Å; I780-H782 VanDerWaalsContact C-N 3.28Å; I780-H782 PolarHBondContact O-N 3.28Å; H782-I784 VanDerWaalsContact C-N 3.33Å; H782-I784 PolarHBondContact O-N 3.36Å; H782-Q785 PolarHBondContact CD2-NE2 3.41Å; H782-Q785 VanDerWaalsContact CD2-NE2 3.31Å; H782-Q785 WeakPolarHBondContact O-CG 3.37Å; H782-Q785 PolarHBondContact O-N 2.83Å; H782-S786 WeakPolarHBondContact O-CB 3.41Å; H782-S786 PolarHBondContact O-N 3.43Å; H782-S786 PolarHBondContact O-OG 2.99Å
783	L	95.5	Very high	91.9	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-59.4	-44.2	175.7	-74.7	173.4	0	0	0	111.8	L703 V736 Q769 V771 G779 I780 Q785 C787	L703-L783 HydrophobicContact CD2-CD1 4.19Å; V736-L783 HydrophobicContact CG2-CD1 3.53Å; V736-L783 HydrophobicContact CG2-CG 4.47Å; Q769-L783 HydrophobicContact CB-CD2 4.42Å; Q769-L783 HydrophobicContact CG-CD2 3.79Å; V771-L783 HydrophobicContact CB-CD2 4.44Å; V771-L783 HydrophobicContact CG2-CD2 3.63Å; V771-L783 HydrophobicContact CG2-CG 4.26Å; G779-L783 WeakPolarHBondContact O-CG 3.38Å; G779-L783 PolarHBondContact O-N 3.08Å; I780-L783 PolarHBondContact O-N 3.4Å; L783-Q785 VanDerWaalsContact C-N 3.35Å; L783-Q785 PolarHBondContact O-N 3Å; L783-C787 VanDerWaalsContact O-CB 3.24Å; L783-C787 WeakPolarHBondContact O-CB 3.43Å; L783-C787 PolarHBondContact O-N 3.08Å; L783-C787 VanDerWaalsContact O-N 3.11Å; L783-C787 PolarHBondContact O-SG 3.01Å
784	I	95.7	Very high	91.9	Very high	6 Å²	6	61 Å²	61	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-38.9	-179.3	-68.1	170.5	0	0	0	111.9	L701 I780 A781 H782 H794 V797 T820 C823 A827 L829	L701-I784 HydrophobicContact CD2-CG1 4.2Å; I780-I784 HydrophobicContact CG2-CD1 3.87Å; I780-I784 HydrophobicContact CG2-CG1 4.48Å; I780-I784 WeakPolarHBondContact O-CG1 3.32Å; I780-I784 PolarHBondContact O-N 2.84Å; A781-I784 PolarHBondContact O-N 2.95Å; H782-I784 VanDerWaalsContact C-N 3.33Å; H782-I784 PolarHBondContact O-N 3.36Å; I784-H794 PolarHBondContact O-CE1 2.98Å; I784-H794 PolarHBondContact O-NE2 3.42Å; I784-V797 HydrophobicContact CG1-CG2 4.2Å; I784-V797 HydrophobicContact CG2-CG2 4.4Å; I784-T820 HydrophobicContact CD1-CG2 3.75Å; I784-C823 HydrophobicContact CD1-CB 4.3Å; I784-A827 HydrophobicContact CG2-CB 4.21Å; I784-L829 HydrophobicContact CG2-CD1 3.59Å
785	Q	92.7	Very high	91.9	Very high	142 Å²	142	58.2 Å²	58.2	66%	0.664	32%	0.323	S	S	*	.	H	α-helix	trans	-86.2	-26	-177.3	68.7	-172.8	1.5	0	0	114.2	A781 H782 L783	A781-Q785 WeakPolarHBondContact O-CG 3.3Å; A781-Q785 PolarHBondContact O-N 2.92Å; H782-Q785 PolarHBondContact CD2-NE2 3.41Å; H782-Q785 VanDerWaalsContact CD2-NE2 3.31Å; H782-Q785 WeakPolarHBondContact O-CG 3.37Å; H782-Q785 PolarHBondContact O-N 2.83Å; L783-Q785 VanDerWaalsContact C-N 3.35Å; L783-Q785 PolarHBondContact O-N 3Å
786	S	93.4	Very high	92	Very high	83 Å²	83	53.5 Å²	53.5	58%	0.58	30%	0.303	S	S	*	.	H	α-helix	trans	-114.6	-7.7	-167.7	68.3	0	0	0	0	115.7	H782 G788	H782-S786 WeakPolarHBondContact O-CB 3.41Å; H782-S786 PolarHBondContact O-N 3.43Å; H782-S786 PolarHBondContact O-OG 2.99Å; S786-G788 PolarHBondContact O-N 2.94Å
787	C	93.9	Very high	92.3	Very high	11 Å²	11	51.3 Å²	51.3	7%	0.074	29%	0.29	C	S	.	.			trans	-72.1	119.5	179.6	-76.6	0	0	0	0	113.2	L701 I732 L783 H794	L701-C787 HydrophobicContact CD1-CB 4.37Å; I732-C787 HydrophobicContact CD1-CB 4.21Å; I732-C787 HydrophobicContact CG2-CB 4.47Å; L783-C787 VanDerWaalsContact O-CB 3.24Å; L783-C787 WeakPolarHBondContact O-CB 3.43Å; L783-C787 PolarHBondContact O-N 3.08Å; L783-C787 VanDerWaalsContact O-N 3.11Å; L783-C787 PolarHBondContact O-SG 3.01Å; C787-H794 PolarHBondContact O-CE1 2.97Å; C787-H794 PolarHBondContact O-ND1 3.31Å
788	G	90.1	Very high	92.5	Very high	45 Å²	45	45.8 Å²	45.8	46%	0.464	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	129.4	177.8	176.2	0	0	0	0	0	112	S786 M792	S786-G788 PolarHBondContact O-N 2.94Å; G788-M792 VanDerWaalsContact CA-O 3.29Å; G788-M792 WeakPolarHBondContact CA-O 3Å
789	L	89.7	Confident	92.5	Very high	118 Å²	118	43.2 Å²	43.2	62%	0.618	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	115.3	175.3	-172.7	60.9	0	0	0	110.3	L683 G791 M792	L683-L789 HydrophobicContact CD1-CD2 3.57Å; L683-L789 HydrophobicContact CD1-CG 4.06Å; L789-G791 PolarHBondContact O-N 3.36Å; L789-M792 PolarHBondContact N-O 3.4Å; L789-M792 PolarHBondContact O-N 2.95Å
790	G	83.1	Confident	92.3	Very high	51 Å²	51	43.9 Å²	43.9	53%	0.526	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	-124.9	-178.6	0	0	0	0	0	112.8	M792	G790-M792 VanDerWaalsContact C-N 3.26Å; G790-M792 PolarHBondContact O-N 2.92Å
791	G	82	Confident	92.2	Very high	41 Å²	41	43.1 Å²	43.1	42%	0.423	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-16	177.1	0	0	0	0	0	114.9	L789 K793	L789-G791 PolarHBondContact O-N 3.36Å; G791-K793 PolarHBondContact O-N 3.38Å
792	M	89.3	Confident	92	Very high	79 Å²	79	42.2 Å²	42.2	39%	0.389	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	82.1	180	-171.9	167.7	172.8	0	0	110.3	L683 L730 F767 G788 L789 G790	L683-M792 HydrophobicContact CD2-CB 3.57Å; L683-M792 HydrophobicContact CD2-SD 4.25Å; L730-M792 HydrophobicContact CD1-CE 3.75Å; L730-M792 HydrophobicContact CD2-CG 3.98Å; F767-M792 HydrophobicContact CE2-CE 3.69Å; F767-M792 HydrophobicContact CZ-CE 4.15Å; G788-M792 VanDerWaalsContact CA-O 3.29Å; G788-M792 WeakPolarHBondContact CA-O 3Å; L789-M792 PolarHBondContact N-O 3.4Å; L789-M792 PolarHBondContact O-N 2.95Å; G790-M792 VanDerWaalsContact C-N 3.26Å; G790-M792 PolarHBondContact O-N 2.92Å
793	K	90.7	Very high	91.6	Very high	135 Å²	135	41.5 Å²	41.5	59%	0.587	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	162	-178.7	64	-178.6	178.6	-179	0	112.7	G791	G791-K793 PolarHBondContact O-N 3.38Å
794	H	94.1	Very high	91	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.037	26%	0.262	C	S	.	.			trans	-72.7	153	173.8	67.1	-74.6	0	0	0	110.9	L701 I784 C787	L701-H794 HydrophobicContact CB-CB 3.87Å; L701-H794 VanDerWaalsContact CB-CD2 3.45Å; L701-H794 WeakPolarHBondContact CB-CD2 3.48Å; L701-H794 WeakPolarHBondContact CD2-NE2 3.28Å; I784-H794 PolarHBondContact O-CE1 2.98Å; I784-H794 PolarHBondContact O-NE2 3.42Å; C787-H794 PolarHBondContact O-CE1 2.97Å; C787-H794 PolarHBondContact O-ND1 3.31Å
795	N	92.2	Very high	90.5	Very high	37 Å²	37	43.6 Å²	43.6	20%	0.198	26%	0.264	C	S	.	.			trans	-129.1	-5.8	174.8	71.1	6.8	0	0	0	112.9	W696 R697 Q699 A830	W696-N795 PolarHBondContact NE1-ND2 3.33Å; R697-N795 PolarHBondContact O-ND2 3.15Å; Q699-N795 PolarHBondContact N-OD1 2.8Å; Q699-N795 PolarHBondContact O-N 3.26Å; Q699-N795 PolarHBondContact O-OD1 2.78Å; N795-A830 PolarHBondContact O-N 3.39Å
796	T	94.5	Very high	90	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.9	-177.7	-54.7	0	0	0	0	108.8	W696 Q699 L700 L701 V798 A830 M832	W696-T796 WeakPolarHBondContact CZ2-OG1 3.01Å; Q699-T796 PolarHBondContact O-N 2.89Å; L700-T796 CarbonylContact C-O 3.59Å; L700-T796 WeakPolarHBondContact CA-O 3.32Å; L700-T796 HydrophobicContact CD2-CG2 3.88Å; L701-T796 PolarHBondContact N-O 3.17Å; T796-V798 HydrophobicContact CG2-CG2 4.42Å; T796-A830 CarbonylContact C-O 3.6Å; T796-A830 VanDerWaalsContact CA-O 3.27Å; T796-A830 WeakPolarHBondContact CA-O 3.33Å; T796-A830 HydrophobicContact CG2-CB 4.2Å; T796-M832 HydrophobicContact CG2-CE 3.45Å; T796-M832 VanDerWaalsContact CG2-CE 3.45Å; T796-M832 HydrophobicContact CG2-CG 3.9Å; T796-M832 HydrophobicContact CG2-SD 3.74Å
797	V	96.8	Very high	89.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.5	171.5	-179.1	0	0	0	0	109	L701 L703 I784 T824 L829 A830 L831 M832	L701-V797 HydrophobicContact CD2-CG2 4.43Å; L701-V797 CarbonylContact O-C 3.45Å; L701-V797 WeakPolarHBondContact O-CA 3.25Å; L703-V797 HydrophobicContact CD1-CG1 3.71Å; L703-V797 HydrophobicContact CG-CG1 4.12Å; I784-V797 HydrophobicContact CG1-CG2 4.2Å; I784-V797 HydrophobicContact CG2-CG2 4.4Å; V797-T824 HydrophobicContact CB-CG2 3.89Å; V797-T824 HydrophobicContact CG2-CG2 3.73Å; V797-L829 HydrophobicContact CG2-CD1 4.03Å; V797-A830 PolarHBondContact N-O 3.05Å; V797-L831 HydrophobicContact CB-CD1 4.09Å; V797-L831 HydrophobicContact CG1-CD1 4.19Å; V797-L831 WeakPolarHBondContact O-CA 3.34Å; V797-M832 PolarHBondContact O-N 3.37Å
798	V	96.1	Very high	88.4	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.1	174.8	-173.2	0	0	0	0	108.3	L700 L701 V702 L703 M717 T796 M832 P834	L700-V798 HydrophobicContact CB-CG2 4.42Å; L700-V798 HydrophobicContact CD2-CG2 3.92Å; L701-V798 PolarHBondContact O-N 3.36Å; V702-V798 HydrophobicContact CG2-CB 4.33Å; L703-V798 PolarHBondContact N-O 3.39Å; M717-V798 HydrophobicContact CE-CG1 4.42Å; T796-V798 HydrophobicContact CG2-CG2 4.42Å; V798-M832 WeakPolarHBondContact CA-O 3.49Å; V798-M832 HydrophobicContact CG2-CB 4.26Å; V798-M832 HydrophobicContact CG2-SD 4.42Å; V798-P834 HydrophobicContact CG1-CG 4.46Å
799	M	93.9	Very high	87.1	Confident	13 Å²	13	56.6 Å²	56.6	6%	0.064	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.1	-179.7	59.2	-174.2	-100.6	0	0	111.6	L703 F817 T820 L831 M832 V833 P834	L703-M799 HydrophobicContact CB-CB 4.29Å; L703-M799 HydrophobicContact CD1-CB 4.33Å; M799-F817 HydrophobicContact CE-CB 4.27Å; M799-F817 HydrophobicContact CE-CD2 2.96Å; M799-F817 HydrophobicContact CE-CE2 3.27Å; M799-F817 HydrophobicContact CE-CG 3.72Å; M799-F817 HydrophobicContact CE-CZ 4.21Å; M799-T820 HydrophobicContact CE-CG2 4.14Å; M799-T820 HydrophobicContact SD-CG2 3.35Å; M799-T820 WeakPolarHBondContact SD-CG2 3.42Å; M799-L831 HydrophobicContact CG-CD1 4Å; M799-L831 HydrophobicContact SD-CD1 3.91Å; M799-M832 PolarHBondContact N-O 2.97Å; M799-M832 VanDerWaalsContact N-O 3.15Å; M799-V833 HydrophobicContact CG-CG2 4.02Å; M799-V833 WeakPolarHBondContact O-CA 3.43Å; M799-P834 WeakPolarHBondContact O-CD 3.38Å
800	G	90.4	Very high	86.3	Confident	13 Å²	13	54.8 Å²	54.8	13%	0.134	29%	0.293	C	S	.	.			trans	-73.7	151.2	179.3	0	0	0	0	0	113.4
801	W	91.9	Very high	86.2	Confident	6 Å²	6	55 Å²	55	2%	0.023	29%	0.285	C	S	.	.			trans	-59.4	140.2	171.5	-172.6	-105.9	0	0	0	112.2	Y803 W805 F817 V833 P834 K835 M1064 L1067 E1068 L1079	W801-Y803 WeakPolarHBondContact O-CD2 3.26Å; W801-Y803 VanDerWaalsContact O-CE2 3.31Å; W801-Y803 WeakPolarHBondContact O-CE2 3.4Å; W801-Y803 PolarHBondContact O-N 3.49Å; W801-Y803 VanDerWaalsContact O-N 3.08Å; W801-W805 AromaticContact CZ2-NE1 3.99Å; W801-F817 HydrophobicContact CE3-CE2 4.22Å; W801-F817 AromaticContact CE3-CZ 3.97Å; W801-F817 HydrophobicContact CE3-CZ 3.97Å; W801-F817 HydrophobicContact CZ3-CE1 4.19Å; W801-F817 HydrophobicContact CZ3-CE2 4.47Å; W801-F817 AromaticContact CZ3-CZ 3.78Å; W801-F817 HydrophobicContact CZ3-CZ 3.78Å; W801-V833 HydrophobicContact CE3-CG1 4.02Å; W801-P834 PolarHBondContact N-O 2.68Å; W801-K835 HydrophobicContact CB-CB 4.31Å; W801-K835 HydrophobicContact CB-CG 4.11Å; W801-K835 HydrophobicContact CD2-CD 4.44Å; W801-K835 HydrophobicContact CD2-CG 4.17Å; W801-K835 HydrophobicContact CG-CB 4.46Å; W801-K835 HydrophobicContact CG-CG 3.83Å; W801-M1064 HydrophobicContact CH2-CE 3.62Å; W801-M1064 HydrophobicContact CZ2-CE 3.66Å; W801-M1064 HydrophobicContact CZ3-CE 4.38Å; W801-L1067 HydrophobicContact CH2-CB 3.73Å; W801-L1067 HydrophobicContact CH2-CD1 4.15Å; W801-L1067 HydrophobicContact CZ3-CB 4.31Å; W801-L1067 HydrophobicContact CZ3-CD1 4.14Å; W801-E1068 WeakPolarHBondContact CZ2-OE2 3.34Å; W801-E1068 PolarHBondContact NE1-OE2 3.22Å; W801-L1079 HydrophobicContact CE3-CD1 4.45Å; W801-L1079 HydrophobicContact CZ3-CD1 4.06Å
802	P	90.9	Very high	86.3	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.032	30%	0.295	C	S	.	.			trans	-78.4	89.4	175.9	32.2	-33.8	0	0	0	110.5	W805 F817 M1064	P802-W805 VanDerWaalsContact O-CD1 3.28Å; P802-F817 VanDerWaalsContact CD-CD2 3.44Å; P802-F817 HydrophobicContact CG-CB 4.01Å; P802-F817 HydrophobicContact CG-CD1 4.43Å; P802-F817 HydrophobicContact CG-CD2 3.88Å; P802-F817 HydrophobicContact CG-CE2 4.49Å; P802-F817 HydrophobicContact CG-CG 3.87Å; P802-M1064 HydrophobicContact CG-CE 3.82Å
803	Y	86.1	Confident	86	Confident	77 Å²	77	59 Å²	59	30%	0.302	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	144.4	176.4	-55.8	-86	0	0	0	112.2	Y714 W801 W805 N836 V837	Y714-Y803 HydrophobicContact CD1-CE2 4.41Å; Y714-Y803 AromaticContact CE1-CD2 3.93Å; Y714-Y803 HydrophobicContact CE1-CD2 3.93Å; Y714-Y803 AromaticContact CE1-CE2 3.79Å; Y714-Y803 HydrophobicContact CE1-CE2 3.79Å; Y714-Y803 HydrophobicContact CE2-CD2 4.26Å; Y714-Y803 HydrophobicContact CE2-CE2 4.29Å; Y714-Y803 AromaticContact CZ-CD2 3.55Å; Y714-Y803 AromaticContact CZ-CE2 3.74Å; Y714-Y803 WeakPolarHBondContact OH-CD2 3.3Å; W801-Y803 WeakPolarHBondContact O-CD2 3.26Å; W801-Y803 VanDerWaalsContact O-CE2 3.31Å; W801-Y803 WeakPolarHBondContact O-CE2 3.4Å; W801-Y803 PolarHBondContact O-N 3.49Å; W801-Y803 VanDerWaalsContact O-N 3.08Å; Y803-W805 VanDerWaalsContact C-N 3.27Å; Y803-W805 PolarHBondContact O-N 3.31Å; Y803-N836 VanDerWaalsContact OH-CA 3.27Å; Y803-N836 WeakPolarHBondContact OH-CA 3.16Å; Y803-N836 PolarHBondContact OH-N 3.07Å; Y803-V837 PolarHBondContact OH-N 3.26Å
804	G	82.8	Confident	85.9	Confident	35 Å²	35	53.9 Å²	53.9	36%	0.361	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	12.2	175.8	0	0	0	0	0	114.7	R806 Q807 S808	G804-R806 PolarHBondContact O-N 2.86Å; G804-Q807 PolarHBondContact O-N 3.29Å; G804-S808 PolarHBondContact O-N 3.37Å; G804-S808 PolarHBondContact O-OG 2.75Å
805	W	85.8	Confident	85.6	Confident	15 Å²	15	58.8 Å²	58.8	6%	0.057	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.9	-174.6	72.6	-90.5	0	0	0	114.6	W801 P802 Y803 S808 W814 M1064 E1065 E1068	W801-W805 AromaticContact CZ2-NE1 3.99Å; P802-W805 VanDerWaalsContact O-CD1 3.28Å; Y803-W805 VanDerWaalsContact C-N 3.27Å; Y803-W805 PolarHBondContact O-N 3.31Å; W805-S808 PolarHBondContact O-OG 2.94Å; W805-W814 HydrophobicContact CB-CB 4Å; W805-W814 HydrophobicContact CB-CG 4.49Å; W805-W814 HydrophobicContact CE3-CB 4.44Å; W805-W814 HydrophobicContact CE3-CG 4.24Å; W805-M1064 HydrophobicContact CD2-CB 4.37Å; W805-M1064 HydrophobicContact CD2-CE 4.09Å; W805-M1064 HydrophobicContact CE3-CB 4.19Å; W805-M1064 HydrophobicContact CG-CE 4.16Å; W805-M1064 HydrophobicContact CH2-CB 3.43Å; W805-M1064 VanDerWaalsContact CH2-CB 3.43Å; W805-M1064 HydrophobicContact CZ2-CB 3.64Å; W805-M1064 HydrophobicContact CZ3-CB 3.73Å; W805-M1064 HydrophobicContact CZ3-CG 4.46Å; W805-E1065 HydrophobicContact CH2-CG 3.89Å; W805-E1065 WeakPolarHBondContact CH2-OE1 3.24Å; W805-E1068 HydrophobicContact CZ2-CB 4.24Å; W805-E1068 PolarHBondContact NE1-OE2 3.43Å
806	R	82.2	Confident	85.6	Confident	129 Å²	129	58.4 Å²	58.4	49%	0.487	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-28.1	172.6	-74	-174.7	176.4	151.4	0.3	113.5	G804 E1065	G804-R806 PolarHBondContact O-N 2.86Å; R806-E1065 IonicContact CZ-OE1 3.93Å; R806-E1065 IonicContact CZ-OE2 3.68Å; R806-E1065 IonicContact NE-OE1 3.32Å; R806-E1065 PolarHBondContact NE-OE1 2.95Å; R806-E1065 IonicContact NE-OE2 2.89Å; R806-E1065 PolarHBondContact NE-OE2 3.09Å; R806-E1065 IonicContact NH2-OE1 2.68Å; R806-E1065 IonicContact NH2-OE2 3.88Å; R806-E1065 PolarHBondContact NH2-OE2 3.48Å
807	Q	78.6	Confident	85.5	Confident	174 Å²	174	58.8 Å²	58.8	81%	0.813	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-26.5	-171.3	-66.3	167.6	-3.7	0	0	112	G804	G804-Q807 PolarHBondContact O-N 3.29Å
808	S	74.6	Confident	85.3	Confident	52 Å²	52	58.8 Å²	58.8	36%	0.364	29%	0.291	S	S	.	.			trans	-75.1	128	176.9	60	0	0	0	0	111.1	G804 W805 D810	G804-S808 PolarHBondContact O-N 3.37Å; G804-S808 PolarHBondContact O-OG 2.75Å; W805-S808 PolarHBondContact O-OG 2.94Å; S808-D810 PolarHBondContact O-N 3.13Å
809	E	64.6	Low	85.1	Confident	200 Å²	200	61.4 Å²	61.4	94%	0.935	31%	0.305	S	S	*	.	S	Bend	trans	-63.3	-19.2	173.2	-67	-174	163.8	0	0	113	P811	E809-P811 WeakPolarHBondContact O-CD 3.42Å
810	D	73	Confident	85.1	Confident	79 Å²	79	61 Å²	61	42%	0.422	30%	0.304	S	S	.	.			trans	-82.3	108.4	-178.3	-92.6	-45	0	0	0	113	S808 R812	S808-D810 PolarHBondContact O-N 3.13Å; D810-R812 PolarHBondContact O-N 3.18Å; D810-R812 IonicContact OD1-CZ 3.46Å; D810-R812 IonicContact OD1-NE 2.89Å; D810-R812 PolarHBondContact OD1-NE 3.31Å; D810-R812 VanDerWaalsContact OD1-NE 3.14Å; D810-R812 IonicContact OD1-NH2 3.44Å; D810-R812 PolarHBondContact OD1-NH2 3.13Å; D810-R812 IonicContact OD2-NH2 2.71Å
811	P	80.8	Confident	85.3	Confident	55 Å²	55	60.4 Å²	60.4	36%	0.357	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.9	176.2	30	-36.2	0	0	0	113.1	E809 A813 W814 K815	E809-P811 WeakPolarHBondContact O-CD 3.42Å; P811-A813 VanDerWaalsContact C-N 3.33Å; P811-A813 PolarHBondContact O-N 3.16Å; P811-W814 HydrophobicContact CB-CZ2 4.06Å; P811-K815 HydrophobicContact CB-CD 4.3Å; P811-K815 VanDerWaalsContact O-CB 3.28Å; P811-K815 WeakPolarHBondContact O-CB 3.39Å; P811-K815 WeakPolarHBondContact O-CG 3.26Å; P811-K815 PolarHBondContact O-N 3.38Å
812	R	83.3	Confident	85.3	Confident	166 Å²	166	62.6 Å²	62.6	63%	0.626	31%	0.305	S	S	*	.	H	α-helix	trans	-63.7	-36.1	-175.5	-69.8	-178.7	-89.4	-175.7	-4.6	112.3	D810 T816	D810-R812 PolarHBondContact O-N 3.18Å; D810-R812 IonicContact OD1-CZ 3.46Å; D810-R812 IonicContact OD1-NE 2.89Å; D810-R812 PolarHBondContact OD1-NE 3.31Å; D810-R812 VanDerWaalsContact OD1-NE 3.14Å; D810-R812 IonicContact OD1-NH2 3.44Å; D810-R812 PolarHBondContact OD1-NH2 3.13Å; D810-R812 IonicContact OD2-NH2 2.71Å; R812-T816 WeakPolarHBondContact O-CB 3.21Å; R812-T816 PolarHBondContact O-N 3.29Å; R812-T816 PolarHBondContact O-OG1 2.79Å
813	A	83.1	Confident	85.4	Confident	40 Å²	40	64 Å²	64	33%	0.331	31%	0.314	S	S	.	.	H	α-helix	trans	-67.5	-50.2	-173.6	0	0	0	0	0	113	P811 T816 F817	P811-A813 VanDerWaalsContact C-N 3.33Å; P811-A813 PolarHBondContact O-N 3.16Å; A813-T816 PolarHBondContact O-N 2.74Å; A813-F817 PolarHBondContact O-N 3.06Å
814	W	87.6	Confident	85.7	Confident	27 Å²	27	60.3 Å²	60.3	10%	0.102	30%	0.3	C	S	.	.	H	α-helix	trans	-79.7	-30	-179.8	62.8	-98.9	0	0	0	112.7	W805 P811 T816 F817 I818 D1060 E1061 M1064	W805-W814 HydrophobicContact CB-CB 4Å; W805-W814 HydrophobicContact CB-CG 4.49Å; W805-W814 HydrophobicContact CE3-CB 4.44Å; W805-W814 HydrophobicContact CE3-CG 4.24Å; P811-W814 HydrophobicContact CB-CZ2 4.06Å; W814-T816 VanDerWaalsContact C-N 3.29Å; W814-T816 PolarHBondContact O-N 2.96Å; W814-F817 WeakPolarHBondContact O-CB 3.44Å; W814-F817 PolarHBondContact O-N 2.73Å; W814-F817 VanDerWaalsContact O-N 3.16Å; W814-I818 HydrophobicContact CE3-CD1 3.92Å; W814-I818 HydrophobicContact CZ3-CD1 4.08Å; W814-I818 PolarHBondContact O-N 3.04Å; W814-D1060 HydrophobicContact CH2-CB 4.44Å; W814-D1060 HydrophobicContact CZ3-CB 3.73Å; W814-E1061 HydrophobicContact CH2-CB 4.05Å; W814-E1061 HydrophobicContact CZ3-CB 4.43Å; W814-M1064 HydrophobicContact CB-CE 4.48Å; W814-M1064 HydrophobicContact CB-CG 4.37Å; W814-M1064 HydrophobicContact CE3-CG 4.06Å
815	K	89.4	Confident	86.1	Confident	110 Å²	110	60.4 Å²	60.4	48%	0.478	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-36.8	169	-73.1	-178.3	178.5	-177.3	0	112.1	P811 F817 I818 N819	P811-K815 HydrophobicContact CB-CD 4.3Å; P811-K815 VanDerWaalsContact O-CB 3.28Å; P811-K815 WeakPolarHBondContact O-CB 3.39Å; P811-K815 WeakPolarHBondContact O-CG 3.26Å; P811-K815 PolarHBondContact O-N 3.38Å; K815-F817 VanDerWaalsContact C-N 3.34Å; K815-I818 PolarHBondContact O-N 3.26Å; K815-N819 VanDerWaalsContact O-CB 3.31Å; K815-N819 WeakPolarHBondContact O-CB 3.44Å; K815-N819 PolarHBondContact O-N 3.43Å
816	T	91.3	Very high	86.3	Confident	30 Å²	30	63.3 Å²	63.3	18%	0.184	32%	0.321	C	S	.	.	H	α-helix	trans	-65.1	-39.2	173.4	-58.2	0	0	0	0	111.2	R777 I780 R812 A813 W814 T820	R777-T816 HydrophobicContact CB-CG2 4.45Å; I780-T816 HydrophobicContact CD1-CG2 3.96Å; R812-T816 WeakPolarHBondContact O-CB 3.21Å; R812-T816 PolarHBondContact O-N 3.29Å; R812-T816 PolarHBondContact O-OG1 2.79Å; A813-T816 PolarHBondContact O-N 2.74Å; W814-T816 VanDerWaalsContact C-N 3.29Å; W814-T816 PolarHBondContact O-N 2.96Å; T816-T820 WeakPolarHBondContact O-CB 3.25Å; T816-T820 PolarHBondContact O-N 3.35Å; T816-T820 PolarHBondContact O-OG1 3.14Å
817	F	92.8	Very high	86.7	Confident	7 Å²	7	59.2 Å²	59.2	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-58.6	-54.1	173.9	174.4	-90.6	0	0	0	111.5	M799 W801 P802 A813 W814 K815 N819 T820 V821 V833 M1064 L1067	M799-F817 HydrophobicContact CE-CB 4.27Å; M799-F817 HydrophobicContact CE-CD2 2.96Å; M799-F817 HydrophobicContact CE-CE2 3.27Å; M799-F817 HydrophobicContact CE-CG 3.72Å; M799-F817 HydrophobicContact CE-CZ 4.21Å; W801-F817 HydrophobicContact CE3-CE2 4.22Å; W801-F817 AromaticContact CE3-CZ 3.97Å; W801-F817 HydrophobicContact CE3-CZ 3.97Å; W801-F817 HydrophobicContact CZ3-CE1 4.19Å; W801-F817 HydrophobicContact CZ3-CE2 4.47Å; W801-F817 AromaticContact CZ3-CZ 3.78Å; W801-F817 HydrophobicContact CZ3-CZ 3.78Å; P802-F817 VanDerWaalsContact CD-CD2 3.44Å; P802-F817 HydrophobicContact CG-CB 4.01Å; P802-F817 HydrophobicContact CG-CD1 4.43Å; P802-F817 HydrophobicContact CG-CD2 3.88Å; P802-F817 HydrophobicContact CG-CE2 4.49Å; P802-F817 HydrophobicContact CG-CG 3.87Å; A813-F817 PolarHBondContact O-N 3.06Å; W814-F817 WeakPolarHBondContact O-CB 3.44Å; W814-F817 PolarHBondContact O-N 2.73Å; W814-F817 VanDerWaalsContact O-N 3.16Å; K815-F817 VanDerWaalsContact C-N 3.34Å; F817-N819 VanDerWaalsContact C-N 3.35Å; F817-N819 PolarHBondContact O-N 3.47Å; F817-T820 WeakPolarHBondContact O-CA 3.36Å; F817-T820 WeakPolarHBondContact O-CB 3.47Å; F817-T820 PolarHBondContact O-N 2.99Å; F817-V821 HydrophobicContact CD1-CG2 4.29Å; F817-V821 HydrophobicContact CE1-CG2 3.98Å; F817-V821 HydrophobicContact CZ-CG2 4.26Å; F817-V821 WeakPolarHBondContact O-CG2 3.43Å; F817-V821 PolarHBondContact O-N 3.12Å; F817-V833 HydrophobicContact CE2-CG1 3.8Å; F817-V833 HydrophobicContact CE2-CG2 4.29Å; F817-V833 HydrophobicContact CZ-CG1 4.09Å; F817-V833 HydrophobicContact CZ-CG2 4.32Å; F817-M1064 HydrophobicContact CD1-CE 4.26Å; F817-M1064 HydrophobicContact CD1-SD 3.61Å; F817-M1064 HydrophobicContact CE1-CE 4.41Å; F817-M1064 HydrophobicContact CE1-SD 3.84Å; F817-L1067 HydrophobicContact CE1-CD1 4.5Å
818	I	92.3	Very high	87.2	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-41.6	-179.8	-66.7	176.9	0	0	0	111.7	W814 K815 T820 V821 R822 P1053 D1060 Y1063 M1064	W814-I818 HydrophobicContact CE3-CD1 3.92Å; W814-I818 HydrophobicContact CZ3-CD1 4.08Å; W814-I818 PolarHBondContact O-N 3.04Å; K815-I818 PolarHBondContact O-N 3.26Å; I818-T820 PolarHBondContact O-N 3.36Å; I818-V821 WeakPolarHBondContact O-CB 3.34Å; I818-V821 PolarHBondContact O-N 3.13Å; I818-V821 VanDerWaalsContact O-N 3.16Å; I818-R822 PolarHBondContact O-N 3.31Å; I818-P1053 HydrophobicContact CG2-CB 4.47Å; I818-D1060 HydrophobicContact CD1-CB 3.54Å; I818-D1060 WeakPolarHBondContact CD1-O 3.18Å; I818-Y1063 HydrophobicContact CD1-CD1 4.26Å; I818-Y1063 HydrophobicContact CG1-CD1 4.32Å; I818-M1064 HydrophobicContact CD1-CG 3.87Å; I818-M1064 HydrophobicContact CD1-SD 4.2Å; I818-M1064 HydrophobicContact CG1-CG 4.4Å; I818-M1064 HydrophobicContact CG1-SD 4.08Å
819	N	91.8	Very high	88.1	Confident	57 Å²	57	54 Å²	54	31%	0.305	29%	0.285	S	S	.	.	H	α-helix	trans	-59	-39.9	175.5	-171	59.8	0	0	0	111.2	K815 F817 R822 C823	K815-N819 VanDerWaalsContact O-CB 3.31Å; K815-N819 WeakPolarHBondContact O-CB 3.44Å; K815-N819 PolarHBondContact O-N 3.43Å; F817-N819 VanDerWaalsContact C-N 3.35Å; F817-N819 PolarHBondContact O-N 3.47Å; N819-R822 PolarHBondContact O-N 2.92Å; N819-C823 WeakPolarHBondContact O-CB 3.46Å; N819-C823 PolarHBondContact O-N 3.43Å; N819-C823 PolarHBondContact O-SG 3.01Å
820	T	94	Very high	89.4	Confident	5 Å²	5	44.4 Å²	44.4	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-41	176.3	-51.6	0	0	0	0	111.7	L703 I780 I784 M799 T816 F817 I818 C823 T824	L703-T820 HydrophobicContact CD1-CG2 3.95Å; I780-T820 HydrophobicContact CG2-CG2 3.61Å; I784-T820 HydrophobicContact CD1-CG2 3.75Å; M799-T820 HydrophobicContact CE-CG2 4.14Å; M799-T820 HydrophobicContact SD-CG2 3.35Å; M799-T820 WeakPolarHBondContact SD-CG2 3.42Å; T816-T820 WeakPolarHBondContact O-CB 3.25Å; T816-T820 PolarHBondContact O-N 3.35Å; T816-T820 PolarHBondContact O-OG1 3.14Å; F817-T820 WeakPolarHBondContact O-CA 3.36Å; F817-T820 WeakPolarHBondContact O-CB 3.47Å; F817-T820 PolarHBondContact O-N 2.99Å; I818-T820 PolarHBondContact O-N 3.36Å; T820-C823 PolarHBondContact O-N 2.91Å; T820-T824 WeakPolarHBondContact O-CB 3.24Å; T820-T824 PolarHBondContact O-N 3.4Å; T820-T824 PolarHBondContact O-OG1 3.07Å
821	V	93.9	Very high	90.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-49.7	173.2	179.2	0	0	0	0	110.2	F817 I818 T824 T825 L831 M1050 P1053	F817-V821 HydrophobicContact CD1-CG2 4.29Å; F817-V821 HydrophobicContact CE1-CG2 3.98Å; F817-V821 HydrophobicContact CZ-CG2 4.26Å; F817-V821 WeakPolarHBondContact O-CG2 3.43Å; F817-V821 PolarHBondContact O-N 3.12Å; I818-V821 WeakPolarHBondContact O-CB 3.34Å; I818-V821 PolarHBondContact O-N 3.13Å; I818-V821 VanDerWaalsContact O-N 3.16Å; V821-T824 PolarHBondContact O-N 3.12Å; V821-T825 WeakPolarHBondContact O-CG2 3.32Å; V821-T825 PolarHBondContact O-N 2.88Å; V821-T825 PolarHBondContact O-OG1 3.1Å; V821-L831 HydrophobicContact CB-CD2 4.2Å; V821-L831 HydrophobicContact CG1-CD2 3.96Å; V821-L831 HydrophobicContact CG2-CD2 3.84Å; V821-M1050 HydrophobicContact CG1-CE 3.89Å; V821-M1050 HydrophobicContact CG2-CE 4.23Å; V821-P1053 HydrophobicContact CG1-CG 4.09Å
822	R	91.8	Very high	91.2	Very high	52 Å²	52	38.1 Å²	38.1	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-58.8	-50.1	177.6	-73.9	-179.5	171.3	131.9	-0.2	111.8	I818 N819 T824 T825 A826 P1053 P1054 N1056 D1060	I818-R822 PolarHBondContact O-N 3.31Å; N819-R822 PolarHBondContact O-N 2.92Å; R822-T824 VanDerWaalsContact C-N 3.31Å; R822-T824 PolarHBondContact O-N 2.93Å; R822-T825 WeakPolarHBondContact CA-OG1 3.48Å; R822-T825 PolarHBondContact O-N 2.84Å; R822-T825 PolarHBondContact O-OG1 3.02Å; R822-A826 WeakPolarHBondContact O-CB 3.46Å; R822-A826 PolarHBondContact O-N 3.03Å; R822-P1053 HydrophobicContact CG-CB 4.37Å; R822-P1053 HydrophobicContact CG-CG 3.95Å; R822-P1054 PolarHBondContact NH2-O 3.43Å; R822-N1056 PolarHBondContact NH2-O 3.13Å; R822-D1060 IonicContact CZ-OD1 3.39Å; R822-D1060 VanDerWaalsContact CZ-OD1 3.29Å; R822-D1060 IonicContact CZ-OD2 2.87Å; R822-D1060 IonicContact NH1-OD1 2.78Å; R822-D1060 PolarHBondContact NH1-OD1 3.46Å; R822-D1060 IonicContact NH1-OD2 3.66Å; R822-D1060 PolarHBondContact NH1-OD2 3.26Å; R822-D1060 IonicContact NH2-OD1 3.2Å; R822-D1060 PolarHBondContact NH2-OD1 3.04Å; R822-D1060 IonicContact NH2-OD2 3.81Å
823	C	93.1	Very high	91.8	Very high	33 Å²	33	30.2 Å²	30.2	22%	0.223	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-43.6	177.4	-70.4	0	0	0	0	112	I784 N819 T820 A826 A827	I784-C823 HydrophobicContact CD1-CB 4.3Å; N819-C823 WeakPolarHBondContact O-CB 3.46Å; N819-C823 PolarHBondContact O-N 3.43Å; N819-C823 PolarHBondContact O-SG 3.01Å; T820-C823 PolarHBondContact O-N 2.91Å; C823-A826 PolarHBondContact O-N 3.12Å; C823-A827 WeakPolarHBondContact O-CB 3.33Å; C823-A827 PolarHBondContact O-N 2.03Å
824	T	94.1	Very high	92.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-44.9	179.2	-54	0	0	0	0	111.3	V797 T820 V821 R822 A827 H828 L829 L831	V797-T824 HydrophobicContact CB-CG2 3.89Å; V797-T824 HydrophobicContact CG2-CG2 3.73Å; T820-T824 WeakPolarHBondContact O-CB 3.24Å; T820-T824 PolarHBondContact O-N 3.4Å; T820-T824 PolarHBondContact O-OG1 3.07Å; V821-T824 PolarHBondContact O-N 3.12Å; R822-T824 VanDerWaalsContact C-N 3.31Å; R822-T824 PolarHBondContact O-N 2.93Å; T824-A827 PolarHBondContact O-N 3.41Å; T824-H828 PolarHBondContact O-N 2.99Å; T824-L829 HydrophobicContact CG2-CB 3.79Å; T824-L829 PolarHBondContact O-N 3.41Å; T824-L829 VanDerWaalsContact O-N 3.12Å; T824-L831 HydrophobicContact CG2-CB 4Å; T824-L831 HydrophobicContact CG2-CD1 4.17Å
825	T	89.4	Confident	92.6	Very high	37 Å²	37	27.4 Å²	27.4	23%	0.227	16%	0.155	C	C	.	.	H	α-helix	trans	-67.2	-38.8	177.8	56.6	0	0	0	0	112.8	V821 R822 A827 H828 R1081	V821-T825 WeakPolarHBondContact O-CG2 3.32Å; V821-T825 PolarHBondContact O-N 2.88Å; V821-T825 PolarHBondContact O-OG1 3.1Å; R822-T825 WeakPolarHBondContact CA-OG1 3.48Å; R822-T825 PolarHBondContact O-N 2.84Å; R822-T825 PolarHBondContact O-OG1 3.02Å; T825-A827 VanDerWaalsContact C-N 3.28Å; T825-A827 PolarHBondContact O-N 3.45Å; T825-H828 PolarHBondContact O-N 3.33Å; T825-R1081 VanDerWaalsContact CG2-NE 3.25Å
826	A	90.4	Very high	92.7	Very high	77 Å²	77	23.9 Å²	23.9	64%	0.636	14%	0.141	S	C	*	.	H	α-helix	trans	-66	-32	176.1	0	0	0	0	0	112.1	R822 C823 H828	R822-A826 WeakPolarHBondContact O-CB 3.46Å; R822-A826 PolarHBondContact O-N 3.03Å; C823-A826 PolarHBondContact O-N 3.12Å; A826-H828 PolarHBondContact O-N 3.47Å
827	A	90.4	Very high	92.7	Very high	43 Å²	43	22.5 Å²	22.5	36%	0.355	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-1	173.6	0	0	0	0	0	113.7	I784 C823 T824 T825 L829	I784-A827 HydrophobicContact CG2-CB 4.21Å; C823-A827 WeakPolarHBondContact O-CB 3.33Å; C823-A827 PolarHBondContact O-N 2.03Å; T824-A827 PolarHBondContact O-N 3.41Å; T825-A827 VanDerWaalsContact C-N 3.28Å; T825-A827 PolarHBondContact O-N 3.45Å; A827-L829 VanDerWaalsContact C-N 3.29Å; A827-L829 HydrophobicContact CB-CD1 3.76Å; A827-L829 HydrophobicContact CB-CG 3.86Å; A827-L829 PolarHBondContact O-N 2.94Å
828	H	89.6	Confident	92.4	Very high	94 Å²	94	25.7 Å²	25.7	44%	0.435	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	40.5	-174.1	-58.2	-67.9	0	0	0	113.5	T824 T825 A826 R1085	T824-H828 PolarHBondContact O-N 2.99Å; T825-H828 PolarHBondContact O-N 3.33Å; A826-H828 PolarHBondContact O-N 3.47Å; H828-R1085 PolarHBondContact CD2-NH2 3.17Å
829	L	92.6	Very high	92.3	Very high	21 Å²	21	31.2 Å²	31.2	11%	0.11	18%	0.18	C	C	.	.			trans	-103.4	151	176.8	-59.5	170.4	0	0	0	110.2	I784 V797 T824 A827	I784-L829 HydrophobicContact CG2-CD1 3.59Å; V797-L829 HydrophobicContact CG2-CD1 4.03Å; T824-L829 HydrophobicContact CG2-CB 3.79Å; T824-L829 PolarHBondContact O-N 3.41Å; T824-L829 VanDerWaalsContact O-N 3.12Å; A827-L829 VanDerWaalsContact C-N 3.29Å; A827-L829 HydrophobicContact CB-CD1 3.76Å; A827-L829 HydrophobicContact CB-CG 3.86Å; A827-L829 PolarHBondContact O-N 2.94Å
830	A	93.4	Very high	92.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	149.7	169.4	0	0	0	0	0	110.2	W696 N795 T796 V797 M863 R1081	W696-A830 HydrophobicContact CH2-CB 4.4Å; W696-A830 HydrophobicContact CZ2-CB 3.86Å; N795-A830 PolarHBondContact O-N 3.39Å; T796-A830 CarbonylContact C-O 3.6Å; T796-A830 VanDerWaalsContact CA-O 3.27Å; T796-A830 WeakPolarHBondContact CA-O 3.33Å; T796-A830 HydrophobicContact CG2-CB 4.2Å; V797-A830 PolarHBondContact N-O 3.05Å; A830-M863 HydrophobicContact CB-SD 3.91Å; A830-R1081 CarbonylContact C-O 3.6Å; A830-R1081 VanDerWaalsContact CA-O 3.31Å; A830-R1081 WeakPolarHBondContact CA-O 3.34Å
831	L	95.4	Very high	92.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.5	177.7	-178.2	67.5	0	0	0	110.2	V797 M799 V821 T824 V833 M1050 R1081	V797-L831 HydrophobicContact CB-CD1 4.09Å; V797-L831 HydrophobicContact CG1-CD1 4.19Å; V797-L831 WeakPolarHBondContact O-CA 3.34Å; M799-L831 HydrophobicContact CG-CD1 4Å; M799-L831 HydrophobicContact SD-CD1 3.91Å; V821-L831 HydrophobicContact CB-CD2 4.2Å; V821-L831 HydrophobicContact CG1-CD2 3.96Å; V821-L831 HydrophobicContact CG2-CD2 3.84Å; T824-L831 HydrophobicContact CG2-CB 4Å; T824-L831 HydrophobicContact CG2-CD1 4.17Å; L831-V833 HydrophobicContact CD1-CG2 4.26Å; L831-V833 HydrophobicContact CD2-CG2 4.05Å; L831-V833 HydrophobicContact CG-CG2 3.95Å; L831-M1050 HydrophobicContact CD2-CE 4.1Å; L831-M1050 HydrophobicContact CD2-SD 3.78Å; L831-M1050 HydrophobicContact CG-SD 4.46Å; L831-R1081 HydrophobicContact CB-CB 4.22Å; L831-R1081 PolarHBondContact N-O 3.04Å; L831-R1081 PolarHBondContact O-N 3.33Å
832	M	95.6	Very high	92.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.2	172.5	-61.1	175.1	-171.1	0	0	109.6	W696 P698 L724 T796 V797 V798 M799 L867 L1079	W696-M832 HydrophobicContact CH2-CE 4.4Å; P698-M832 HydrophobicContact CB-CE 4.31Å; L724-M832 HydrophobicContact CD2-SD 4.04Å; T796-M832 HydrophobicContact CG2-CE 3.45Å; T796-M832 VanDerWaalsContact CG2-CE 3.45Å; T796-M832 HydrophobicContact CG2-CG 3.9Å; T796-M832 HydrophobicContact CG2-SD 3.74Å; V797-M832 PolarHBondContact O-N 3.37Å; V798-M832 WeakPolarHBondContact CA-O 3.49Å; V798-M832 HydrophobicContact CG2-CB 4.26Å; V798-M832 HydrophobicContact CG2-SD 4.42Å; M799-M832 PolarHBondContact N-O 2.97Å; M799-M832 VanDerWaalsContact N-O 3.15Å; M832-L867 HydrophobicContact CE-CD1 3.67Å; M832-L867 HydrophobicContact CE-CD2 3.24Å; M832-L867 HydrophobicContact CE-CG 4.06Å; M832-L867 HydrophobicContact SD-CD1 4.36Å; M832-L867 HydrophobicContact SD-CD2 4.24Å; M832-L1079 WeakPolarHBondContact CA-O 2.98Å
833	V	95.7	Very high	92.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	96.9	178.4	-174.7	0	0	0	0	109.1	M799 W801 F817 L831 K835 M1050 L1079	M799-V833 HydrophobicContact CG-CG2 4.02Å; M799-V833 WeakPolarHBondContact O-CA 3.43Å; W801-V833 HydrophobicContact CE3-CG1 4.02Å; F817-V833 HydrophobicContact CE2-CG1 3.8Å; F817-V833 HydrophobicContact CE2-CG2 4.29Å; F817-V833 HydrophobicContact CZ-CG1 4.09Å; F817-V833 HydrophobicContact CZ-CG2 4.32Å; L831-V833 HydrophobicContact CD1-CG2 4.26Å; L831-V833 HydrophobicContact CD2-CG2 4.05Å; L831-V833 HydrophobicContact CG-CG2 3.95Å; V833-K835 PolarHBondContact O-N 2.9Å; V833-M1050 HydrophobicContact CG2-SD 4.45Å; V833-L1079 HydrophobicContact CB-CB 4.16Å; V833-L1079 PolarHBondContact N-O 2.96Å; V833-L1079 PolarHBondContact O-N 3.25Å
834	P	94.8	Very high	91.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	119.8	169.2	30.5	-35.4	0	0	0	109.5	V798 M799 W801 V837 Y840 V1077	V798-P834 HydrophobicContact CG1-CG 4.46Å; M799-P834 WeakPolarHBondContact O-CD 3.38Å; W801-P834 PolarHBondContact N-O 2.68Å; P834-V837 HydrophobicContact CB-CG2 3.91Å; P834-V837 HydrophobicContact CG-CG2 3.87Å; P834-V837 WeakPolarHBondContact O-CG2 3.47Å; P834-Y840 HydrophobicContact CB-CE1 4.49Å; P834-Y840 HydrophobicContact CB-CE2 4.29Å; P834-V1077 WeakPolarHBondContact CA-O 3.45Å
835	K	93.5	Very high	91.5	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	149.6	168.4	-166	-178.5	-175.7	-169.4	0	108.3	W801 V833 V837 Y840 E1068 T1071 V1077	W801-K835 HydrophobicContact CB-CB 4.31Å; W801-K835 HydrophobicContact CB-CG 4.11Å; W801-K835 HydrophobicContact CD2-CD 4.44Å; W801-K835 HydrophobicContact CD2-CG 4.17Å; W801-K835 HydrophobicContact CG-CB 4.46Å; W801-K835 HydrophobicContact CG-CG 3.83Å; V833-K835 PolarHBondContact O-N 2.9Å; K835-V837 VanDerWaalsContact C-N 3.34Å; K835-V837 PolarHBondContact O-N 2.66Å; K835-Y840 WeakPolarHBondContact O-CE2 3.32Å; K835-E1068 VanDerWaalsContact CE-OE1 3.25Å; K835-E1068 WeakPolarHBondContact CE-OE1 3.36Å; K835-E1068 IonicContact NZ-OE1 3.67Å; K835-E1068 PolarHBondContact NZ-OE1 3.46Å; K835-T1071 WeakPolarHBondContact CD-OG1 3.38Å; K835-T1071 PolarHBondContact NZ-OG1 2.76Å; K835-V1077 HydrophobicContact CB-CB 4.21Å; K835-V1077 PolarHBondContact N-O 3.13Å
836	N	91.6	Very high	91.4	Very high	36 Å²	36	43.6 Å²	43.6	19%	0.193	23%	0.227	C	C	.	.	S	Bend	trans	60.1	40.2	177	-67.7	-12.3	0	0	0	113.8	Y803 S838 F839 L1074 E1075	Y803-N836 VanDerWaalsContact OH-CA 3.27Å; Y803-N836 WeakPolarHBondContact OH-CA 3.16Å; Y803-N836 PolarHBondContact OH-N 3.07Å; N836-S838 PolarHBondContact O-N 2.96Å; N836-S838 VanDerWaalsContact O-N 3.13Å; N836-F839 HydrophobicContact CB-CD2 3.92Å; N836-F839 PolarHBondContact O-N 3.06Å; N836-L1074 PolarHBondContact ND2-O 2.97Å; N836-E1075 WeakPolarHBondContact CB-O 3.27Å; N836-E1075 PolarHBondContact ND2-O 3.11Å
837	V	89.5	Confident	91.4	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-56	-28.8	-177	-173.2	0	0	0	0	113.3	R716 M717 Y803 P834 K835 F839 Y840	R716-V837 HydrophobicContact CB-CG1 3.65Å; R716-V837 WeakPolarHBondContact CB-O 3.37Å; M717-V837 HydrophobicContact CB-CG1 4.48Å; M717-V837 HydrophobicContact CG-CG1 3.66Å; M717-V837 HydrophobicContact CG-CG2 4.33Å; Y803-V837 PolarHBondContact OH-N 3.26Å; P834-V837 HydrophobicContact CB-CG2 3.91Å; P834-V837 HydrophobicContact CG-CG2 3.87Å; P834-V837 WeakPolarHBondContact O-CG2 3.47Å; K835-V837 VanDerWaalsContact C-N 3.34Å; K835-V837 PolarHBondContact O-N 2.66Å; V837-F839 PolarHBondContact O-N 2.89Å; V837-Y840 WeakPolarHBondContact O-CB 3.33Å; V837-Y840 PolarHBondContact O-N 3.13Å
838	S	88.3	Confident	91.1	Very high	74 Å²	74	45 Å²	45	52%	0.517	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-60.5	-31.7	174.9	46.8	0	0	0	0	113	N836 Y840	N836-S838 PolarHBondContact O-N 2.96Å; N836-S838 VanDerWaalsContact O-N 3.13Å; S838-Y840 VanDerWaalsContact C-N 3.34Å
839	F	90.3	Very high	91	Very high	115 Å²	115	45 Å²	45	50%	0.504	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-86.2	-4.1	-179.7	-62	-75.4	0	0	0	113.4	N836 V837 R1076	N836-F839 HydrophobicContact CB-CD2 3.92Å; N836-F839 PolarHBondContact O-N 3.06Å; V837-F839 PolarHBondContact O-N 2.89Å; F839-R1076 HydrophobicContact CB-CG 4.41Å; F839-R1076 PolarHBondContact O-NE 2.97Å; F839-R1076 PolarHBondContact O-NH2 2.89Å
840	Y	93	Very high	90.8	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.016	23%	0.225	C	C	.	.	S	Bend	trans	-67.4	142.5	176.8	-86	-119.4	0	0	0	111	F720 P834 K835 V837 S838 L1045 R1076 V1077	F720-Y840 HydrophobicContact CB-CD1 4.21Å; F720-Y840 AromaticContact CD2-CD1 3.86Å; F720-Y840 HydrophobicContact CD2-CD1 3.86Å; F720-Y840 AromaticContact CD2-CE1 3.68Å; F720-Y840 HydrophobicContact CD2-CE1 3.68Å; F720-Y840 HydrophobicContact CE2-CE1 4.15Å; F720-Y840 HydrophobicContact CG-CD1 4.22Å; F720-Y840 HydrophobicContact CG-CE1 4.18Å; P834-Y840 HydrophobicContact CB-CE1 4.49Å; P834-Y840 HydrophobicContact CB-CE2 4.29Å; K835-Y840 WeakPolarHBondContact O-CE2 3.32Å; V837-Y840 WeakPolarHBondContact O-CB 3.33Å; V837-Y840 PolarHBondContact O-N 3.13Å; S838-Y840 VanDerWaalsContact C-N 3.34Å; Y840-L1045 HydrophobicContact CE1-CD1 4.24Å; Y840-L1045 WeakPolarHBondContact OH-CD1 3.45Å; Y840-R1076 HydrophobicContact CD2-CG 4.28Å; Y840-R1076 HydrophobicContact CE2-CB 4.04Å; Y840-R1076 HydrophobicContact CE2-CG 4.28Å; Y840-V1077 PolarHBondContact OH-O 3.25Å
841	P	93.3	Very high	90.9	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.013	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-66.9	143.7	-174	29.7	-37.8	0	0	0	111.6	Q723 E845 F847 V876 W877	Q723-P841 PolarHBondContact NE2-O 3.08Å; P841-E845 WeakPolarHBondContact CA-OE2 3.28Å; P841-E845 HydrophobicContact CB-CB 4.2Å; P841-F847 HydrophobicContact CB-CE2 4.08Å; P841-F847 HydrophobicContact CB-CZ 3.96Å; P841-F847 HydrophobicContact CG-CE2 3.76Å; P841-F847 HydrophobicContact CG-CZ 3.99Å; P841-V876 HydrophobicContact CB-CG1 3.92Å; P841-V876 HydrophobicContact CG-CG1 3.64Å; P841-W877 HydrophobicContact CG-CH2 4.3Å; P841-W877 HydrophobicContact CG-CZ2 3.63Å
842	S	91.3	Very high	90.9	Very high	11 Å²	11	46.6 Å²	46.6	8%	0.077	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-67.2	168.1	168.2	74.7	0	0	0	0	111.8	H844 E845	S842-H844 PolarHBondContact O-N 2.77Å; S842-H844 VanDerWaalsContact O-N 3.14Å; S842-H844 PolarHBondContact OG-N 2.99Å; S842-E845 VanDerWaalsContact CB-OE1 3.3Å; S842-E845 WeakPolarHBondContact CB-OE1 2.94Å; S842-E845 PolarHBondContact N-OE2 3.32Å; S842-E845 PolarHBondContact O-N 3.26Å; S842-E845 WeakPolarHBondContact OG-CG 3.46Å; S842-E845 PolarHBondContact OG-N 3.28Å; S842-E845 PolarHBondContact OG-OE1 2.84Å
843	N	88.4	Confident	90.9	Very high	11 Å²	11	46.6 Å²	46.6	6%	0.059	24%	0.236	C	C	.	.	S	Bend	trans	-66.4	-10.9	174.4	-82.6	-28	0	0	0	114.2	T719 S722 Q723 E762 K875	T719-N843 HydrophobicContact CG2-CB 4.44Å; S722-N843 PolarHBondContact OG-ND2 3.22Å; S722-N843 PolarHBondContact OG-OD1 3.41Å; Q723-N843 WeakPolarHBondContact CG-OD1 3.5Å; Q723-N843 PolarHBondContact NE2-OD1 3.45Å; E762-N843 PolarHBondContact O-ND2 3.41Å; E762-N843 VanDerWaalsContact O-ND2 3.15Å; N843-K875 WeakPolarHBondContact O-CE 3.29Å; N843-K875 PolarHBondContact O-NZ 3.4Å
844	H	87.1	Confident	90.9	Very high	156 Å²	156	46.7 Å²	46.7	72%	0.722	24%	0.236	S	C	*	.	S	Bend	trans	-99.6	-30	179.5	-62.5	-79.3	0	0	0	112.7	S842 R846	S842-H844 PolarHBondContact O-N 2.77Å; S842-H844 VanDerWaalsContact O-N 3.14Å; S842-H844 PolarHBondContact OG-N 2.99Å; H844-R846 PolarHBondContact O-N 2.97Å
845	E	87.9	Confident	90.9	Very high	98 Å²	98	46.7 Å²	46.7	46%	0.458	24%	0.236	S	C	.	.			trans	-72.4	118.1	175.7	-74.7	149.7	-129.8	0	0	110.5	P841 S842 V876	P841-E845 WeakPolarHBondContact CA-OE2 3.28Å; P841-E845 HydrophobicContact CB-CB 4.2Å; S842-E845 VanDerWaalsContact CB-OE1 3.3Å; S842-E845 WeakPolarHBondContact CB-OE1 2.94Å; S842-E845 PolarHBondContact N-OE2 3.32Å; S842-E845 PolarHBondContact O-N 3.26Å; S842-E845 WeakPolarHBondContact OG-CG 3.46Å; S842-E845 PolarHBondContact OG-N 3.28Å; S842-E845 PolarHBondContact OG-OE1 2.84Å; E845-V876 WeakPolarHBondContact O-CG1 3.45Å; E845-V876 WeakPolarHBondContact O-CG2 3.17Å
846	R	88.1	Confident	90.7	Very high	162 Å²	162	46.6 Å²	46.6	61%	0.611	24%	0.235	S	C	*	.			trans	-112.4	130.6	177.4	-60.6	-179	-171.4	177.1	1.7	109.1	H844 T848	H844-R846 PolarHBondContact O-N 2.97Å; R846-T848 PolarHBondContact O-N 3.29Å
847	F	89.4	Confident	90.4	Very high	31 Å²	31	44.9 Å²	44.9	14%	0.136	23%	0.226	C	C	.	.			trans	-72.3	132	171.6	-63.6	-58.9	0	0	0	110	P841 V876 W877	P841-F847 HydrophobicContact CB-CE2 4.08Å; P841-F847 HydrophobicContact CB-CZ 3.96Å; P841-F847 HydrophobicContact CG-CE2 3.76Å; P841-F847 HydrophobicContact CG-CZ 3.99Å; F847-V876 HydrophobicContact CD2-CG1 4.07Å; F847-V876 HydrophobicContact CE2-CG1 4.16Å; F847-V876 PolarHBondContact N-O 3.44Å; F847-W877 HydrophobicContact CD2-CD2 4.4Å; F847-W877 HydrophobicContact CD2-CE3 4.02Å; F847-W877 HydrophobicContact CD2-CZ3 4.12Å; F847-W877 HydrophobicContact CE2-CD2 4.35Å; F847-W877 AromaticContact CE2-CE3 3.98Å; F847-W877 HydrophobicContact CE2-CE3 3.98Å; F847-W877 AromaticContact CE2-CH2 3.74Å; F847-W877 HydrophobicContact CE2-CH2 3.74Å; F847-W877 HydrophobicContact CE2-CZ2 4.12Å; F847-W877 AromaticContact CE2-CZ3 3.66Å; F847-W877 HydrophobicContact CE2-CZ3 3.66Å
848	T	84.3	Confident	89.7	Confident	118 Å²	118	45 Å²	45	72%	0.724	23%	0.227	S	C	*	.	S	Bend	trans	-80.4	-38	175.1	46.2	0	0	0	0	111.3	R846 K879	R846-T848 PolarHBondContact O-N 3.29Å; T848-K879 WeakPolarHBondContact O-CD 3.22Å
849	D	87.1	Confident	89.3	Confident	94 Å²	94	43.3 Å²	43.3	50%	0.503	21%	0.211	S	C	.	.	S	Bend	trans	-155	161.2	174.4	-164.7	9.8	0	0	0	109.7
850	G	89.8	Confident	88.9	Confident	13 Å²	13	39.1 Å²	39.1	13%	0.134	19%	0.194	C	C	.	.			trans	153	168.5	176.6	0	0	0	0	0	113.6	C880 K881	G850-C880 CarbonylContact O-C 3.49Å; G850-C880 WeakPolarHBondContact O-CA 3.36Å; G850-C880 WeakPolarHBondContact O-CB 3.16Å; G850-K881 PolarHBondContact O-N 3.37Å
851	N	93.9	Very high	88.3	Confident	42 Å²	42	39 Å²	39	23%	0.225	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.7	-178.2	-60.1	-28.4	0	0	0	111.6	D853 K881 R883 R1044	N851-D853 WeakPolarHBondContact CB-OD1 3.35Å; N851-K881 CarbonylContact C-O 3.54Å; N851-K881 WeakPolarHBondContact CA-O 3.1Å; N851-R883 PolarHBondContact ND2-NE 3.38Å; N851-R1044 PolarHBondContact O-N 3.19Å
852	I	95.7	Very high	87.9	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111.4	162.8	-58.5	170.7	0	0	0	106.6	P868 W877 C880 K881 M882 R883 L1045 L1047	I852-P868 HydrophobicContact CG2-CB 3.91Å; I852-P868 HydrophobicContact CG2-CG 4.28Å; I852-W877 HydrophobicContact CD1-CB 4.41Å; I852-W877 HydrophobicContact CD1-CE3 4.01Å; I852-W877 HydrophobicContact CG1-CE3 4.17Å; I852-C880 HydrophobicContact CD1-CB 3.95Å; I852-C880 HydrophobicContact CG1-CB 3.86Å; I852-K881 PolarHBondContact N-O 2.98Å; I852-M882 WeakPolarHBondContact O-CA 3.48Å; I852-R883 PolarHBondContact O-N 2.94Å; I852-L1045 WeakPolarHBondContact CA-O 3.45Å; I852-L1045 HydrophobicContact CG2-CB 4.44Å; I852-L1045 HydrophobicContact CG2-CD2 4.34Å; I852-L1047 HydrophobicContact CG2-CD1 3.54Å
853	D	96	Very high	87.7	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.6	-175.4	-70.3	-5.6	0	0	0	109.9	N851 R883 F885 S1040 A1043 L1045 V1046 L1047	N851-D853 WeakPolarHBondContact CB-OD1 3.35Å; D853-R883 WeakPolarHBondContact CA-O 3.33Å; D853-R883 VanDerWaalsContact CG-NH2 3.33Å; D853-R883 IonicContact OD1-CZ 3.4Å; D853-R883 IonicContact OD1-NE 2.77Å; D853-R883 PolarHBondContact OD1-NE 2.88Å; D853-R883 IonicContact OD1-NH2 3.22Å; D853-R883 PolarHBondContact OD1-NH2 3.4Å; D853-R883 IonicContact OD2-CZ 3.55Å; D853-R883 IonicContact OD2-NE 3.71Å; D853-R883 IonicContact OD2-NH2 2.66Å; D853-R883 PolarHBondContact OD2-NH2 2.95Å; D853-F885 HydrophobicContact CB-CD2 4.36Å; D853-F885 HydrophobicContact CB-CE2 3.93Å; D853-S1040 WeakPolarHBondContact OD2-CB 3.44Å; D853-A1043 HydrophobicContact CB-CB 4.17Å; D853-A1043 VanDerWaalsContact OD2-CB 3.27Å; D853-A1043 WeakPolarHBondContact OD2-CB 3.18Å; D853-L1045 PolarHBondContact N-O 3.31Å; D853-V1046 CarbonylContact O-C 3.47Å; D853-V1046 WeakPolarHBondContact O-CA 3.38Å; D853-L1047 PolarHBondContact O-N 2.69Å
854	V	95.5	Very high	87.8	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.1	-176.8	-174.8	0	0	0	0	108.8	L864 P868 M882 R883 I884 F885	V854-L864 HydrophobicContact CG1-CB 3.83Å; V854-L864 HydrophobicContact CG1-CD2 4.04Å; V854-L864 WeakPolarHBondContact CG1-O 3.41Å; V854-P868 HydrophobicContact CG2-CB 4.3Å; V854-P868 HydrophobicContact CG2-CG 3.5Å; V854-P868 VanDerWaalsContact CG2-CG 3.5Å; V854-M882 HydrophobicContact CG2-CG 4.33Å; V854-R883 PolarHBondContact N-O 3.38Å; V854-I884 HydrophobicContact CB-CG1 4.23Å; V854-I884 WeakPolarHBondContact O-CA 3.46Å; V854-F885 PolarHBondContact O-N 3.06Å
855	W	94	Very high	87.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	102.4	175	-75	84.8	0	0	0	110.1	I857 F885 V887 V917 V1035 I1036 R1039 S1040 L1047 L1048 N1049	W855-I857 PolarHBondContact O-N 3.25Å; W855-F885 HydrophobicContact CD2-CB 3.75Å; W855-F885 HydrophobicContact CD2-CD2 4.36Å; W855-F885 HydrophobicContact CD2-CG 4.25Å; W855-F885 AromaticContact CE2-CD2 3.82Å; W855-F885 AromaticContact CE2-CG 3.89Å; W855-F885 HydrophobicContact CE3-CB 3.75Å; W855-F885 HydrophobicContact CG-CB 4.34Å; W855-F885 HydrophobicContact CH2-CB 4.11Å; W855-F885 HydrophobicContact CH2-CD1 4.35Å; W855-F885 HydrophobicContact CH2-CG 4.19Å; W855-F885 HydrophobicContact CZ2-CB 4.1Å; W855-F885 HydrophobicContact CZ2-CD1 4.22Å; W855-F885 HydrophobicContact CZ2-CD2 4.07Å; W855-F885 AromaticContact CZ2-CG 3.86Å; W855-F885 HydrophobicContact CZ2-CG 3.86Å; W855-F885 HydrophobicContact CZ3-CB 3.95Å; W855-F885 AromaticContact NE1-CD2 3.77Å; W855-V887 HydrophobicContact CE3-CG2 4.38Å; W855-V917 HydrophobicContact CH2-CG2 4.24Å; W855-V917 HydrophobicContact CZ3-CG2 4.18Å; W855-V1035 HydrophobicContact CH2-CG1 3.95Å; W855-V1035 HydrophobicContact CZ3-CG1 4.38Å; W855-I1036 HydrophobicContact CD2-CG1 3.79Å; W855-I1036 HydrophobicContact CE3-CG1 3.95Å; W855-I1036 HydrophobicContact CG-CG1 4.34Å; W855-I1036 HydrophobicContact CH2-CG1 4.2Å; W855-I1036 HydrophobicContact CZ2-CB 4.27Å; W855-I1036 HydrophobicContact CZ2-CG1 4.04Å; W855-I1036 HydrophobicContact CZ2-CG2 4.5Å; W855-I1036 HydrophobicContact CZ3-CG1 4.15Å; W855-R1039 HydrophobicContact CZ2-CB 4.12Å; W855-S1040 PolarHBondContact NE1-OG 3.16Å; W855-L1047 PolarHBondContact N-O 3.03Å; W855-L1048 HydrophobicContact CB-CB 3.91Å; W855-N1049 PolarHBondContact O-OD1 3.32Å
856	W	90.9	Very high	88	Confident	6 Å²	6	26.5 Å²	26.5	2%	0.023	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	95.2	176.1	175.7	21.1	0	0	0	111.1	V858 H859 L864 F885 T886 V887 L901 A956 K960	W856-V858 PolarHBondContact NE1-O 3.06Å; W856-H859 PolarHBondContact NE1-O 3.37Å; W856-L864 HydrophobicContact CB-CD1 4.37Å; W856-L864 HydrophobicContact CG-CD1 4.49Å; W856-F885 PolarHBondContact N-O 3.29Å; W856-T886 HydrophobicContact CB-CG2 4.27Å; W856-T886 HydrophobicContact CD2-CG2 4.17Å; W856-T886 HydrophobicContact CE3-CG2 3.39Å; W856-T886 HydrophobicContact CZ3-CG2 4.09Å; W856-V887 PolarHBondContact O-N 2.94Å; W856-L901 HydrophobicContact CE3-CD2 4.24Å; W856-L901 HydrophobicContact CZ3-CD1 3.88Å; W856-L901 HydrophobicContact CZ3-CD2 3.96Å; W856-A956 HydrophobicContact CH2-CB 4.48Å; W856-K960 HydrophobicContact CD2-CD 4.21Å; W856-K960 HydrophobicContact CE3-CD 4.45Å; W856-K960 HydrophobicContact CH2-CB 3.36Å; W856-K960 HydrophobicContact CH2-CD 3.51Å; W856-K960 HydrophobicContact CH2-CG 4.02Å; W856-K960 HydrophobicContact CZ2-CB 3.64Å; W856-K960 HydrophobicContact CZ2-CD 3.17Å; W856-K960 HydrophobicContact CZ2-CG 4.01Å; W856-K960 HydrophobicContact CZ3-CB 4.31Å; W856-K960 HydrophobicContact CZ3-CD 4.12Å
857	I	85.1	Confident	88.2	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	101.1	179.6	-47.4	164.1	0	0	0	108.8	W855 H859 V887 Y927 L1032 N1049	W855-I857 PolarHBondContact O-N 3.25Å; I857-H859 PolarHBondContact O-N 3.15Å; I857-V887 HydrophobicContact CG1-CG2 4.02Å; I857-Y927 HydrophobicContact CD1-CE2 4.24Å; I857-Y927 HydrophobicContact CG2-CD1 4.16Å; I857-Y927 HydrophobicContact CG2-CD2 3.8Å; I857-Y927 HydrophobicContact CG2-CE1 4.49Å; I857-Y927 HydrophobicContact CG2-CE2 4.18Å; I857-Y927 HydrophobicContact CG2-CG 3.78Å; I857-L1032 HydrophobicContact CD1-CD2 4.08Å; I857-N1049 WeakPolarHBondContact CB-OD1 3.45Å; I857-N1049 WeakPolarHBondContact CG1-OD1 3.12Å; I857-N1049 PolarHBondContact N-OD1 2.99Å; I857-N1049 VanDerWaalsContact N-OD1 3.12Å; I857-N1049 PolarHBondContact O-ND2 3.33Å
858	V	74.9	Confident	88.4	Confident	5 Å²	5	17.5 Å²	17.5	3%	0.03	10%	0.102	C	C	.	.	S	Bend	trans	63.3	-60.6	175.9	-169.7	0	0	0	0	115.8	W856 T928 R931 Q957	W856-V858 PolarHBondContact NE1-O 3.06Å; V858-T928 HydrophobicContact CG2-CG2 4.36Å; V858-R931 HydrophobicContact CG1-CB 4.36Å; V858-R931 HydrophobicContact CG1-CG 3.9Å; V858-Q957 PolarHBondContact O-NE2 3.06Å
859	H	78.3	Confident	88.7	Confident	39 Å²	39	14 Å²	14	18%	0.181	8%	0.077	C	C	.	.	S	Bend	trans	-112.9	173.3	-167.2	-62.2	-61.3	0	0	0	114.5	W856 I857 G861 Y927	W856-H859 PolarHBondContact NE1-O 3.37Å; I857-H859 PolarHBondContact O-N 3.15Å; H859-G861 PolarHBondContact O-N 3.08Å; H859-G861 VanDerWaalsContact O-N 3.11Å; H859-Y927 PolarHBondContact NE2-O 3.4Å
860	D	82	Confident	88.9	Confident	26 Å²	26	10.7 Å²	10.7	14%	0.139	6%	0.059	C	C	.	.			trans	58.5	20.9	170.3	-60.5	-31.3	0	0	0	116.9	G862 M863 L864 G1082	D860-G862 VanDerWaalsContact C-N 3.29Å; D860-G862 PolarHBondContact O-N 2.93Å; D860-G862 VanDerWaalsContact O-N 3.15Å; D860-M863 HydrophobicContact CB-CE 4.31Å; D860-M863 PolarHBondContact O-N 2.7Å; D860-M863 VanDerWaalsContact O-N 3.1Å; D860-L864 HydrophobicContact CB-CD1 4.37Å; D860-L864 PolarHBondContact O-N 3.27Å; D860-L864 VanDerWaalsContact O-N 3.14Å; D860-G1082 PolarHBondContact OD2-N 3.38Å
861	G	81.1	Confident	89	Confident	1 Å²	1	10.2 Å²	10.2	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-55.8	-38.8	-171.8	0	0	0	0	0	114.5	H859 M863 L864 M865	H859-G861 PolarHBondContact O-N 3.08Å; H859-G861 VanDerWaalsContact O-N 3.11Å; G861-M863 PolarHBondContact O-N 2.7Å; G861-L864 PolarHBondContact O-N 3.47Å; G861-M865 WeakPolarHBondContact O-CE 3.27Å; G861-M865 PolarHBondContact O-N 3.05Å
862	G	84.3	Confident	88.9	Confident	10 Å²	10	10.9 Å²	10.9	10%	0.103	5%	0.054	C	C	.	.	H	α-helix	trans	-60.3	-44.8	178.5	0	0	0	0	0	113.3	D860 L866 I1088 Y1091	D860-G862 VanDerWaalsContact C-N 3.29Å; D860-G862 PolarHBondContact O-N 2.93Å; D860-G862 VanDerWaalsContact O-N 3.15Å; G862-L866 PolarHBondContact O-N 3.3Å; G862-L866 VanDerWaalsContact O-N 3.16Å; G862-I1088 VanDerWaalsContact C-CD1 3.43Å; G862-I1088 WeakPolarHBondContact O-CD1 3.38Å; G862-Y1091 WeakPolarHBondContact CA-OH 3.15Å
863	M	88.3	Confident	88.6	Confident	4 Å²	4	15.2 Å²	15.2	2%	0.02	8%	0.075	C	C	.	.	H	α-helix	trans	-71.8	-41.2	-179.4	179.4	171.4	52.4	0	0	111.2	W696 A830 D860 G861 M865 L866 L867 V1080 R1081 G1082	W696-M863 HydrophobicContact CH2-CG 4.18Å; W696-M863 HydrophobicContact CH2-SD 3.71Å; W696-M863 HydrophobicContact CZ2-SD 4.28Å; W696-M863 HydrophobicContact CZ3-CG 4.03Å; W696-M863 HydrophobicContact CZ3-SD 4.15Å; A830-M863 HydrophobicContact CB-SD 3.91Å; D860-M863 HydrophobicContact CB-CE 4.31Å; D860-M863 PolarHBondContact O-N 2.7Å; D860-M863 VanDerWaalsContact O-N 3.1Å; G861-M863 PolarHBondContact O-N 2.7Å; M863-M865 PolarHBondContact O-N 3.01Å; M863-L866 PolarHBondContact O-N 3.01Å; M863-L866 VanDerWaalsContact O-N 3.07Å; M863-L867 HydrophobicContact CG-CD1 3.94Å; M863-L867 HydrophobicContact CG-CG 4.13Å; M863-L867 WeakPolarHBondContact O-CG 3.31Å; M863-L867 PolarHBondContact O-N 3.39Å; M863-V1080 HydrophobicContact CE-CG1 3.28Å; M863-V1080 HydrophobicContact CG-CG1 4.12Å; M863-V1080 HydrophobicContact SD-CG1 3.93Å; M863-R1081 VanDerWaalsContact CE-C 3.43Å; M863-G1082 VanDerWaalsContact CE-CA 3.47Å; M863-G1082 VanDerWaalsContact CE-N 3.32Å
864	L	90.1	Very high	88.3	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-58.1	-30.7	177	-82.9	156.1	0	0	0	113.3	V854 W856 D860 G861 P868 L1047 N1049 V1080	V854-L864 HydrophobicContact CG1-CB 3.83Å; V854-L864 HydrophobicContact CG1-CD2 4.04Å; V854-L864 WeakPolarHBondContact CG1-O 3.41Å; W856-L864 HydrophobicContact CB-CD1 4.37Å; W856-L864 HydrophobicContact CG-CD1 4.49Å; D860-L864 HydrophobicContact CB-CD1 4.37Å; D860-L864 PolarHBondContact O-N 3.27Å; D860-L864 VanDerWaalsContact O-N 3.14Å; G861-L864 PolarHBondContact O-N 3.47Å; L864-P868 WeakPolarHBondContact O-CD 3.33Å; L864-P868 VanDerWaalsContact O-CG 3.23Å; L864-P868 WeakPolarHBondContact O-CG 3.45Å; L864-L1047 HydrophobicContact CD2-CB 4.22Å; L864-N1049 HydrophobicContact CD1-CB 4.22Å; L864-V1080 HydrophobicContact CD2-CB 4.41Å
865	M	89.2	Confident	88.2	Confident	2 Å²	2	19.4 Å²	19.4	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-85.6	-31.4	173.3	-62.3	177.7	-71.1	0	0	113.3	G861 M863 F869 I884 F904 L905 A956 Y1091	G861-M865 WeakPolarHBondContact O-CE 3.27Å; G861-M865 PolarHBondContact O-N 3.05Å; M863-M865 PolarHBondContact O-N 3.01Å; M865-F869 VanDerWaalsContact O-CB 3.32Å; M865-F869 WeakPolarHBondContact O-CB 3.49Å; M865-F869 PolarHBondContact O-N 3.26Å; M865-I884 HydrophobicContact CG-CD1 4.02Å; M865-I884 HydrophobicContact SD-CD1 4.29Å; M865-F904 HydrophobicContact CE-CE1 4Å; M865-F904 HydrophobicContact SD-CE1 4.25Å; M865-L905 HydrophobicContact SD-CD2 3.92Å; M865-A956 HydrophobicContact CE-CB 3.02Å; M865-A956 HydrophobicContact SD-CB 4.35Å; M865-Y1091 HydrophobicContact CB-CE1 4.14Å
866	L	90.4	Very high	88.2	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68.1	-40.5	-179.5	-179	64.9	0	0	0	112.1	W696 G862 M863 F869 L870 I1088 Y1091	W696-L866 HydrophobicContact CE3-CD2 3.8Å; W696-L866 HydrophobicContact CZ3-CD2 4Å; G862-L866 PolarHBondContact O-N 3.3Å; G862-L866 VanDerWaalsContact O-N 3.16Å; M863-L866 PolarHBondContact O-N 3.01Å; M863-L866 VanDerWaalsContact O-N 3.07Å; L866-F869 WeakPolarHBondContact O-CB 3.34Å; L866-F869 PolarHBondContact O-N 3.01Å; L866-L870 HydrophobicContact CD1-CD1 4.18Å; L866-L870 HydrophobicContact CD1-CD2 4.45Å; L866-L870 HydrophobicContact CD1-CG 4.06Å; L866-L870 HydrophobicContact CD2-CD1 4.43Å; L866-L870 HydrophobicContact CG-CD1 3.94Å; L866-L870 HydrophobicContact CG-CG 4.22Å; L866-L870 WeakPolarHBondContact O-CG 3.35Å; L866-L870 PolarHBondContact O-N 3.32Å; L866-I1088 HydrophobicContact CB-CD1 4.02Å; L866-I1088 HydrophobicContact CD2-CD1 3.71Å; L866-I1088 HydrophobicContact CD2-CG1 4.25Å; L866-I1088 HydrophobicContact CG-CD1 4.48Å; L866-Y1091 HydrophobicContact CB-CD1 4.31Å; L866-Y1091 HydrophobicContact CB-CE1 4.13Å; L866-Y1091 HydrophobicContact CD1-CD1 4.06Å
867	L	92.4	Very high	88.3	Confident	3 Å²	3	19.1 Å²	19.1	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-64.8	-50	-174.8	-58	168.9	0	0	0	113.4	P698 L724 M832 M863 F869 L870 L871 L1047 V1080	P698-L867 HydrophobicContact CG-CD2 4.44Å; L724-L867 HydrophobicContact CD1-CD2 4.32Å; L724-L867 HydrophobicContact CD2-CD2 4.49Å; M832-L867 HydrophobicContact CE-CD1 3.67Å; M832-L867 HydrophobicContact CE-CD2 3.24Å; M832-L867 HydrophobicContact CE-CG 4.06Å; M832-L867 HydrophobicContact SD-CD1 4.36Å; M832-L867 HydrophobicContact SD-CD2 4.24Å; M863-L867 HydrophobicContact CG-CD1 3.94Å; M863-L867 HydrophobicContact CG-CG 4.13Å; M863-L867 WeakPolarHBondContact O-CG 3.31Å; M863-L867 PolarHBondContact O-N 3.39Å; L867-F869 VanDerWaalsContact C-N 3.28Å; L867-F869 PolarHBondContact O-N 3.48Å; L867-L870 PolarHBondContact O-N 2.89Å; L867-L871 WeakPolarHBondContact O-CB 3.33Å; L867-L871 PolarHBondContact O-N 2.89Å; L867-L1047 HydrophobicContact CB-CD2 4.02Å; L867-L1047 HydrophobicContact CD1-CD2 4.45Å; L867-V1080 HydrophobicContact CD1-CG1 3.88Å; L867-V1080 HydrophobicContact CD1-CG2 3.77Å
868	P	92.7	Very high	88.6	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-61	-38.5	174.3	-22.9	34.6	0	0	0	112.3	I852 V854 L864 L871 K872 M882 L1047	I852-P868 HydrophobicContact CG2-CB 3.91Å; I852-P868 HydrophobicContact CG2-CG 4.28Å; V854-P868 HydrophobicContact CG2-CB 4.3Å; V854-P868 HydrophobicContact CG2-CG 3.5Å; V854-P868 VanDerWaalsContact CG2-CG 3.5Å; L864-P868 WeakPolarHBondContact O-CD 3.33Å; L864-P868 VanDerWaalsContact O-CG 3.23Å; L864-P868 WeakPolarHBondContact O-CG 3.45Å; P868-L871 PolarHBondContact O-N 3.19Å; P868-K872 WeakPolarHBondContact O-CB 3.2Å; P868-K872 PolarHBondContact O-N 2.62Å; P868-M882 HydrophobicContact CB-CG 4.39Å; P868-M882 HydrophobicContact CB-SD 3.53Å; P868-M882 VanDerWaalsContact CB-SD 3.53Å; P868-M882 HydrophobicContact CG-SD 4.21Å; P868-L1047 HydrophobicContact CG-CD1 4.05Å; P868-L1047 HydrophobicContact CG-CD2 3.67Å; P868-L1047 HydrophobicContact CG-CG 4.46Å
869	F	90.8	Very high	89.4	Confident	45 Å²	45	32.6 Å²	32.6	20%	0.197	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-47.9	177.6	175.5	-94.8	0	0	0	111.3	M865 L866 L867 L871 K872 I910	M865-F869 VanDerWaalsContact O-CB 3.32Å; M865-F869 WeakPolarHBondContact O-CB 3.49Å; M865-F869 PolarHBondContact O-N 3.26Å; L866-F869 WeakPolarHBondContact O-CB 3.34Å; L866-F869 PolarHBondContact O-N 3.01Å; L867-F869 VanDerWaalsContact C-N 3.28Å; L867-F869 PolarHBondContact O-N 3.48Å; F869-L871 VanDerWaalsContact C-N 3.35Å; F869-K872 PolarHBondContact O-N 2.96Å; F869-I910 HydrophobicContact CD2-CG1 4.21Å; F869-I910 HydrophobicContact CE2-CG1 4.42Å
870	L	91.3	Very high	90.1	Very high	24 Å²	24	30.8 Å²	30.8	13%	0.126	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-41.6	175.1	-69.2	176.2	0	0	0	111.7	P698 L724 L866 L867 K872 Q873	P698-L870 HydrophobicContact CG-CD1 3.95Å; L724-L870 HydrophobicContact CD1-CB 4.3Å; L866-L870 HydrophobicContact CD1-CD1 4.18Å; L866-L870 HydrophobicContact CD1-CD2 4.45Å; L866-L870 HydrophobicContact CD1-CG 4.06Å; L866-L870 HydrophobicContact CD2-CD1 4.43Å; L866-L870 HydrophobicContact CG-CD1 3.94Å; L866-L870 HydrophobicContact CG-CG 4.22Å; L866-L870 WeakPolarHBondContact O-CG 3.35Å; L866-L870 PolarHBondContact O-N 3.32Å; L867-L870 PolarHBondContact O-N 2.89Å; L870-K872 PolarHBondContact O-N 3.37Å; L870-Q873 WeakPolarHBondContact O-CB 3.14Å; L870-Q873 PolarHBondContact O-N 2.97Å
871	L	92.1	Very high	90.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-65.3	-40.1	-178.7	-165.4	65.6	0	0	0	111.9	F720 Q723 L867 P868 F869 Q873 H874 W877 L1045	F720-L871 HydrophobicContact CE2-CD1 4.21Å; Q723-L871 HydrophobicContact CB-CD1 4.08Å; L867-L871 WeakPolarHBondContact O-CB 3.33Å; L867-L871 PolarHBondContact O-N 2.89Å; P868-L871 PolarHBondContact O-N 3.19Å; F869-L871 VanDerWaalsContact C-N 3.35Å; L871-Q873 PolarHBondContact O-N 2.91Å; L871-H874 VanDerWaalsContact O-CB 3.29Å; L871-H874 WeakPolarHBondContact O-CB 3.49Å; L871-H874 PolarHBondContact O-N 3.07Å; L871-W877 HydrophobicContact CD1-CG 4.34Å; L871-W877 HydrophobicContact CD2-CD2 3.85Å; L871-W877 HydrophobicContact CD2-CE3 4.35Å; L871-W877 HydrophobicContact CD2-CG 4.07Å; L871-W877 HydrophobicContact CD2-CZ2 4.25Å; L871-W877 HydrophobicContact CG-CB 4.26Å; L871-W877 VanDerWaalsContact CG-CD1 3.47Å; L871-W877 HydrophobicContact CG-CD2 4.03Å; L871-W877 HydrophobicContact CG-CG 3.68Å; L871-W877 WeakPolarHBondContact O-CB 3.2Å; L871-L1045 HydrophobicContact CD2-CD2 3.49Å; L871-L1045 VanDerWaalsContact CD2-CD2 3.49Å
872	K	92	Very high	91.1	Very high	56 Å²	56	35.1 Å²	35.1	24%	0.243	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-21.6	177	-169.8	174.6	174.7	179.4	0	112.9	P868 F869 L870 H874 R878 C880	P868-K872 WeakPolarHBondContact O-CB 3.2Å; P868-K872 PolarHBondContact O-N 2.62Å; F869-K872 PolarHBondContact O-N 2.96Å; L870-K872 PolarHBondContact O-N 3.37Å; K872-H874 PolarHBondContact O-N 2.92Å; K872-R878 WeakPolarHBondContact O-CA 3.06Å; K872-C880 WeakPolarHBondContact CE-O 3.29Å; K872-C880 PolarHBondContact NZ-O 2.93Å
873	Q	88.3	Confident	91.6	Very high	94 Å²	94	37.2 Å²	37.2	44%	0.439	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.6	172.9	-58.9	-175.6	3.6	0	0	112.4	L870 L871 S1092	L870-Q873 WeakPolarHBondContact O-CB 3.14Å; L870-Q873 PolarHBondContact O-N 2.97Å; L871-Q873 PolarHBondContact O-N 2.91Å; Q873-S1092 PolarHBondContact NE2-OXT 3.02Å
874	H	91.4	Very high	91.8	Very high	20 Å²	20	37.1 Å²	37.1	9%	0.093	16%	0.159	C	C	.	.	S	Bend	trans	-78.8	146.9	179.7	-169.5	-103.5	0	0	0	112.5	L871 K872 V876 W877 R878	L871-H874 VanDerWaalsContact O-CB 3.29Å; L871-H874 WeakPolarHBondContact O-CB 3.49Å; L871-H874 PolarHBondContact O-N 3.07Å; K872-H874 PolarHBondContact O-N 2.92Å; H874-V876 WeakPolarHBondContact ND1-CG2 3.46Å; H874-V876 PolarHBondContact ND1-N 3.49Å; H874-V876 PolarHBondContact O-N 3.24Å; H874-W877 PolarHBondContact O-N 2.73Å; H874-W877 VanDerWaalsContact O-N 3.12Å; H874-R878 WeakPolarHBondContact O-CB 3.49Å; H874-R878 PolarHBondContact O-N 3.44Å
875	K	91.9	Very high	92	Very high	69 Å²	69	37.2 Å²	37.2	30%	0.3	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-27	-178.1	51.8	168.3	173	164.3	0	115.3	N843	N843-K875 WeakPolarHBondContact O-CE 3.29Å; N843-K875 PolarHBondContact O-NZ 3.4Å
876	V	93.6	Very high	92.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-42.3	-178.2	173	0	0	0	0	111.4	P841 E845 F847 H874	P841-V876 HydrophobicContact CB-CG1 3.92Å; P841-V876 HydrophobicContact CG-CG1 3.64Å; E845-V876 WeakPolarHBondContact O-CG1 3.45Å; E845-V876 WeakPolarHBondContact O-CG2 3.17Å; F847-V876 HydrophobicContact CD2-CG1 4.07Å; F847-V876 HydrophobicContact CE2-CG1 4.16Å; F847-V876 PolarHBondContact N-O 3.44Å; H874-V876 WeakPolarHBondContact ND1-CG2 3.46Å; H874-V876 PolarHBondContact ND1-N 3.49Å; H874-V876 PolarHBondContact O-N 3.24Å
877	W	93.4	Very high	91.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-2.2	-169.4	-56.8	95.4	0	0	0	113.5	P841 F847 I852 L871 H874 K879 C880 R1044 L1045	P841-W877 HydrophobicContact CG-CH2 4.3Å; P841-W877 HydrophobicContact CG-CZ2 3.63Å; F847-W877 HydrophobicContact CD2-CD2 4.4Å; F847-W877 HydrophobicContact CD2-CE3 4.02Å; F847-W877 HydrophobicContact CD2-CZ3 4.12Å; F847-W877 HydrophobicContact CE2-CD2 4.35Å; F847-W877 AromaticContact CE2-CE3 3.98Å; F847-W877 HydrophobicContact CE2-CE3 3.98Å; F847-W877 AromaticContact CE2-CH2 3.74Å; F847-W877 HydrophobicContact CE2-CH2 3.74Å; F847-W877 HydrophobicContact CE2-CZ2 4.12Å; F847-W877 AromaticContact CE2-CZ3 3.66Å; F847-W877 HydrophobicContact CE2-CZ3 3.66Å; I852-W877 HydrophobicContact CD1-CB 4.41Å; I852-W877 HydrophobicContact CD1-CE3 4.01Å; I852-W877 HydrophobicContact CG1-CE3 4.17Å; L871-W877 HydrophobicContact CD1-CG 4.34Å; L871-W877 HydrophobicContact CD2-CD2 3.85Å; L871-W877 HydrophobicContact CD2-CE3 4.35Å; L871-W877 HydrophobicContact CD2-CG 4.07Å; L871-W877 HydrophobicContact CD2-CZ2 4.25Å; L871-W877 HydrophobicContact CG-CB 4.26Å; L871-W877 VanDerWaalsContact CG-CD1 3.47Å; L871-W877 HydrophobicContact CG-CD2 4.03Å; L871-W877 HydrophobicContact CG-CG 3.68Å; L871-W877 WeakPolarHBondContact O-CB 3.2Å; H874-W877 PolarHBondContact O-N 2.73Å; H874-W877 VanDerWaalsContact O-N 3.12Å; W877-K879 VanDerWaalsContact C-N 3.25Å; W877-K879 PolarHBondContact O-N 2.87Å; W877-K879 VanDerWaalsContact O-N 3.16Å; W877-C880 WeakPolarHBondContact O-CB 3.43Å; W877-C880 PolarHBondContact O-N 3.38Å; W877-R1044 HydrophobicContact CZ3-CB 4.19Å; W877-L1045 HydrophobicContact CH2-CB 3.93Å; W877-L1045 HydrophobicContact CH2-CD2 4.17Å; W877-L1045 HydrophobicContact CH2-CG 4.5Å; W877-L1045 HydrophobicContact CZ3-CB 3.73Å; W877-L1045 HydrophobicContact CZ3-CD2 4.26Å
878	R	91.5	Very high	91.4	Very high	156 Å²	156	37.2 Å²	37.2	59%	0.589	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-34.9	-174.6	-174.4	175.1	62.8	-178.9	1.7	115	K872 H874	K872-R878 WeakPolarHBondContact O-CA 3.06Å; H874-R878 WeakPolarHBondContact O-CB 3.49Å; H874-R878 PolarHBondContact O-N 3.44Å
879	K	92.1	Very high	90.8	Very high	131 Å²	131	38 Å²	38	57%	0.57	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.7	-179.8	-69.5	-165.5	174.8	-170.1	0	113.6	T848 W877	T848-K879 WeakPolarHBondContact O-CD 3.22Å; W877-K879 VanDerWaalsContact C-N 3.25Å; W877-K879 PolarHBondContact O-N 2.87Å; W877-K879 VanDerWaalsContact O-N 3.16Å
880	C	92.3	Very high	90.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-75.8	141.4	-178.8	-56.5	0	0	0	0	111.5	G850 I852 K872 W877	G850-C880 CarbonylContact O-C 3.49Å; G850-C880 WeakPolarHBondContact O-CA 3.36Å; G850-C880 WeakPolarHBondContact O-CB 3.16Å; I852-C880 HydrophobicContact CD1-CB 3.95Å; I852-C880 HydrophobicContact CG1-CB 3.86Å; K872-C880 WeakPolarHBondContact CE-O 3.29Å; K872-C880 PolarHBondContact NZ-O 2.93Å; W877-C880 WeakPolarHBondContact O-CB 3.43Å; W877-C880 PolarHBondContact O-N 3.38Å
881	K	92.6	Very high	89.4	Confident	110 Å²	110	44.6 Å²	44.6	48%	0.478	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	146	172.7	-63.2	-179.5	-177.1	177.2	0	110	G850 N851 I852	G850-K881 PolarHBondContact O-N 3.37Å; N851-K881 CarbonylContact C-O 3.54Å; N851-K881 WeakPolarHBondContact CA-O 3.1Å; I852-K881 PolarHBondContact N-O 2.98Å
882	M	92.6	Very high	88.8	Confident	9 Å²	9	45.8 Å²	45.8	4%	0.044	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.5	179.2	-171	168.7	74.7	0	0	109.7	I852 V854 P868 I884 I910 A912 E913	I852-M882 WeakPolarHBondContact O-CA 3.48Å; V854-M882 HydrophobicContact CG2-CG 4.33Å; P868-M882 HydrophobicContact CB-CG 4.39Å; P868-M882 HydrophobicContact CB-SD 3.53Å; P868-M882 VanDerWaalsContact CB-SD 3.53Å; P868-M882 HydrophobicContact CG-SD 4.21Å; M882-I884 HydrophobicContact CE-CD1 3.96Å; M882-I884 HydrophobicContact CE-CG1 4.46Å; M882-I884 HydrophobicContact CG-CG1 4.49Å; M882-I910 HydrophobicContact CE-CG2 3.17Å; M882-A912 HydrophobicContact CB-CB 4.05Å; M882-A912 HydrophobicContact CE-CB 3.35Å; M882-A912 HydrophobicContact CG-CB 4.15Å; M882-A912 VanDerWaalsContact O-CA 3.24Å; M882-A912 WeakPolarHBondContact O-CA 3.35Å; M882-E913 PolarHBondContact O-N 3.02Å
883	R	94.4	Very high	88.5	Confident	54 Å²	54	47.4 Å²	47.4	20%	0.204	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.2	174.3	-54.6	-170.8	-63.4	174.4	2.1	109.2	N851 I852 D853 V854 F885 E913 R1039	N851-R883 PolarHBondContact ND2-NE 3.38Å; I852-R883 PolarHBondContact O-N 2.94Å; D853-R883 WeakPolarHBondContact CA-O 3.33Å; D853-R883 VanDerWaalsContact CG-NH2 3.33Å; D853-R883 IonicContact OD1-CZ 3.4Å; D853-R883 IonicContact OD1-NE 2.77Å; D853-R883 PolarHBondContact OD1-NE 2.88Å; D853-R883 IonicContact OD1-NH2 3.22Å; D853-R883 PolarHBondContact OD1-NH2 3.4Å; D853-R883 IonicContact OD2-CZ 3.55Å; D853-R883 IonicContact OD2-NE 3.71Å; D853-R883 IonicContact OD2-NH2 2.66Å; D853-R883 PolarHBondContact OD2-NH2 2.95Å; V854-R883 PolarHBondContact N-O 3.38Å; R883-F885 HydrophobicContact CB-CE2 3.9Å; R883-F885 HydrophobicContact CB-CZ 4.19Å; R883-E913 CarbonylContact C-O 3.41Å; R883-E913 WeakPolarHBondContact CA-O 3.2Å; R883-E913 HydrophobicContact CG-CB 4.41Å; R883-R1039 PolarHBondContact NH2-O 3.4Å; R883-R1039 VanDerWaalsContact NH2-O 3.11Å
884	I	93.5	Very high	88.3	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.7	-179.2	-61.7	169.9	0	0	0	108.4	V854 M865 M882 T886 L901 L905 A912 E913 V914 E915	V854-I884 HydrophobicContact CB-CG1 4.23Å; V854-I884 WeakPolarHBondContact O-CA 3.46Å; M865-I884 HydrophobicContact CG-CD1 4.02Å; M865-I884 HydrophobicContact SD-CD1 4.29Å; M882-I884 HydrophobicContact CE-CD1 3.96Å; M882-I884 HydrophobicContact CE-CG1 4.46Å; M882-I884 HydrophobicContact CG-CG1 4.49Å; I884-T886 HydrophobicContact CG2-CG2 3.95Å; I884-L901 HydrophobicContact CG2-CD2 4.44Å; I884-L905 HydrophobicContact CD1-CD1 3.84Å; I884-L905 HydrophobicContact CD1-CD2 4.07Å; I884-A912 HydrophobicContact CD1-CB 3.97Å; I884-A912 HydrophobicContact CG1-CB 4.33Å; I884-E913 PolarHBondContact N-O 2.92Å; I884-V914 WeakPolarHBondContact O-CA 3.29Å; I884-E915 PolarHBondContact O-N 3.08Å
885	F	93.9	Very high	88.1	Confident	3 Å²	3	49.6 Å²	49.6	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	116.4	173.8	-59.7	-82.1	0	0	0	108.8	D853 V854 W855 W856 R883 E915 V917 R1039	D853-F885 HydrophobicContact CB-CD2 4.36Å; D853-F885 HydrophobicContact CB-CE2 3.93Å; V854-F885 PolarHBondContact O-N 3.06Å; W855-F885 HydrophobicContact CD2-CB 3.75Å; W855-F885 HydrophobicContact CD2-CD2 4.36Å; W855-F885 HydrophobicContact CD2-CG 4.25Å; W855-F885 AromaticContact CE2-CD2 3.82Å; W855-F885 AromaticContact CE2-CG 3.89Å; W855-F885 HydrophobicContact CE3-CB 3.75Å; W855-F885 HydrophobicContact CG-CB 4.34Å; W855-F885 HydrophobicContact CH2-CB 4.11Å; W855-F885 HydrophobicContact CH2-CD1 4.35Å; W855-F885 HydrophobicContact CH2-CG 4.19Å; W855-F885 HydrophobicContact CZ2-CB 4.1Å; W855-F885 HydrophobicContact CZ2-CD1 4.22Å; W855-F885 HydrophobicContact CZ2-CD2 4.07Å; W855-F885 AromaticContact CZ2-CG 3.86Å; W855-F885 HydrophobicContact CZ2-CG 3.86Å; W855-F885 HydrophobicContact CZ3-CB 3.95Å; W855-F885 AromaticContact NE1-CD2 3.77Å; W856-F885 PolarHBondContact N-O 3.29Å; R883-F885 HydrophobicContact CB-CE2 3.9Å; R883-F885 HydrophobicContact CB-CZ 4.19Å; F885-E915 CarbonylContact C-O 3.58Å; F885-E915 VanDerWaalsContact CA-O 3.32Å; F885-E915 WeakPolarHBondContact CA-O 3.46Å; F885-E915 HydrophobicContact CD1-CB 3.9Å; F885-E915 HydrophobicContact CD1-CG 4.46Å; F885-E915 HydrophobicContact CE1-CB 4.07Å; F885-E915 WeakPolarHBondContact CE1-OE2 3.3Å; F885-V917 HydrophobicContact CD1-CG2 4.4Å; F885-R1039 HydrophobicContact CE1-CB 4.41Å; F885-R1039 HydrophobicContact CZ-CB 4.43Å
886	T	90	Very high	87.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.1	176.3	62.2	0	0	0	0	110.5	W856 I884 L901 E915 V916 V917	W856-T886 HydrophobicContact CB-CG2 4.27Å; W856-T886 HydrophobicContact CD2-CG2 4.17Å; W856-T886 HydrophobicContact CE3-CG2 3.39Å; W856-T886 HydrophobicContact CZ3-CG2 4.09Å; I884-T886 HydrophobicContact CG2-CG2 3.95Å; T886-L901 HydrophobicContact CG2-CD2 3.4Å; T886-L901 VanDerWaalsContact CG2-CD2 3.4Å; T886-E915 PolarHBondContact N-O 2.92Å; T886-V916 WeakPolarHBondContact O-CA 3.44Å; T886-V916 WeakPolarHBondContact OG1-CG2 3.28Å; T886-V917 PolarHBondContact O-N 3.13Å
887	V	86.3	Confident	87.1	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.03	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124	175.4	-172.4	0	0	0	0	109.4	W855 W856 I857 V917 M919 I924 K960	W855-V887 HydrophobicContact CE3-CG2 4.38Å; W856-V887 PolarHBondContact O-N 2.94Å; I857-V887 HydrophobicContact CG1-CG2 4.02Å; V887-V917 WeakPolarHBondContact CA-O 3.5Å; V887-M919 HydrophobicContact CG1-CB 3.98Å; V887-M919 HydrophobicContact CG1-CG 3.96Å; V887-M919 HydrophobicContact CG1-SD 3.99Å; V887-I924 HydrophobicContact CG1-CG2 3.96Å; V887-K960 PolarHBondContact O-NZ 3.38Å
888	A	82.9	Confident	86.9	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149.4	175.2	0	0	0	0	0	110.1	D892 M897 V916 V917 E918 M919	A888-D892 HydrophobicContact CB-CB 4.31Å; A888-M897 HydrophobicContact CB-CE 4.09Å; A888-M897 HydrophobicContact CB-SD 4.15Å; A888-V916 HydrophobicContact CB-CG1 3.53Å; A888-V917 PolarHBondContact N-O 3.48Å; A888-E918 WeakPolarHBondContact O-CA 3.45Å; A888-M919 PolarHBondContact O-N 3.35Å
889	Q	79.8	Confident	86.8	Confident	18 Å²	18	53.9 Å²	53.9	8%	0.084	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	156.2	173.7	-65.8	174.8	-56	0	0	109.5	D891 D892 D921 I924	Q889-D891 PolarHBondContact O-N 2.97Å; Q889-D891 VanDerWaalsContact O-N 3.11Å; Q889-D892 PolarHBondContact N-OD2 3.2Å; Q889-D892 WeakPolarHBondContact O-CB 3.18Å; Q889-D892 PolarHBondContact O-N 2.86Å; Q889-D921 VanDerWaalsContact CG-OD1 3.27Å; Q889-D921 WeakPolarHBondContact CG-OD1 3.32Å; Q889-D921 VanDerWaalsContact NE2-CG 3.31Å; Q889-D921 PolarHBondContact NE2-OD1 3.39Å; Q889-D921 PolarHBondContact NE2-OD2 2.98Å; Q889-I924 HydrophobicContact CG-CD1 3.71Å
890	M	76.8	Confident	86.5	Confident	92 Å²	92	49.9 Å²	49.9	45%	0.453	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.4	175.6	-66.9	-66.8	-166.8	0	0	113	E918 M919	M890-E918 HydrophobicContact SD-CB 4.07Å; M890-M919 PolarHBondContact N-O 3.07Å
891	D	77.1	Confident	86.2	Confident	115 Å²	115	50.2 Å²	50.2	62%	0.615	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-10.4	179.5	-57.1	-15.8	0	0	0	113.1	Q889 R967	Q889-D891 PolarHBondContact O-N 2.97Å; Q889-D891 VanDerWaalsContact O-N 3.11Å; D891-R967 IonicContact OD2-NH1 3.85Å
892	D	79	Confident	86	Confident	26 Å²	26	47.2 Å²	47.2	14%	0.139	24%	0.239	C	C	.	.	S	Bend	trans	-89.4	146	-178.3	-69.8	-34.2	0	0	0	111.4	A888 Q889 S894 M897	A888-D892 HydrophobicContact CB-CB 4.31Å; Q889-D892 PolarHBondContact N-OD2 3.2Å; Q889-D892 WeakPolarHBondContact O-CB 3.18Å; Q889-D892 PolarHBondContact O-N 2.86Å; D892-S894 PolarHBondContact O-N 2.88Å; D892-M897 HydrophobicContact CB-CE 4.01Å
893	N	84.9	Confident	85.7	Confident	91 Å²	91	49.9 Å²	49.9	49%	0.487	26%	0.256	S	S	.	.			trans	-75.3	92.2	173.1	-171.9	-25	0	0	0	111.4	I895 Q896 M897	N893-I895 VanDerWaalsContact C-N 3.34Å; N893-I895 PolarHBondContact O-N 3.28Å; N893-I895 PolarHBondContact OD1-N 2.83Å; N893-Q896 HydrophobicContact CB-CB 4.19Å; N893-Q896 PolarHBondContact O-N 3.25Å; N893-Q896 PolarHBondContact OD1-N 3.43Å; N893-M897 WeakPolarHBondContact O-CB 3.39Å; N893-M897 PolarHBondContact O-N 3.32Å
894	S	84.6	Confident	85.2	Confident	24 Å²	24	47.6 Å²	47.6	17%	0.168	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-36.7	-177.7	60.8	0	0	0	0	113.8	D892 K898 E918	D892-S894 PolarHBondContact O-N 2.88Å; S894-K898 WeakPolarHBondContact O-CB 3.3Å; S894-K898 PolarHBondContact O-N 3.24Å; S894-E918 WeakPolarHBondContact CB-OE1 3.44Å; S894-E918 PolarHBondContact OG-OE1 3.14Å
895	I	86.2	Confident	84.9	Confident	135 Å²	135	47.7 Å²	47.7	69%	0.692	25%	0.248	S	C	*	.	H	α-helix	trans	-66.8	-47.4	-179.6	-59.8	172.2	0	0	0	110.3	N893 K898 K899	N893-I895 VanDerWaalsContact C-N 3.34Å; N893-I895 PolarHBondContact O-N 3.28Å; N893-I895 PolarHBondContact OD1-N 2.83Å; I895-K898 PolarHBondContact O-N 3.14Å; I895-K899 PolarHBondContact O-N 3.03Å; I895-K899 VanDerWaalsContact O-N 3.13Å
896	Q	83.6	Confident	84.5	Confident	67 Å²	67	56.8 Å²	56.8	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-67.3	-41.1	179.2	-175	60.9	29	0	0	111.1	N893 K898 K899 D900 H963	N893-Q896 HydrophobicContact CB-CB 4.19Å; N893-Q896 PolarHBondContact O-N 3.25Å; N893-Q896 PolarHBondContact OD1-N 3.43Å; Q896-K898 VanDerWaalsContact C-N 3.33Å; Q896-K898 PolarHBondContact O-N 3.09Å; Q896-K899 PolarHBondContact O-N 3.21Å; Q896-D900 VanDerWaalsContact NE2-CG 3.33Å; Q896-D900 PolarHBondContact NE2-OD1 3.47Å; Q896-D900 PolarHBondContact NE2-OD2 3.07Å; Q896-D900 WeakPolarHBondContact O-CB 3.21Å; Q896-D900 PolarHBondContact O-N 2.96Å; Q896-H963 WeakPolarHBondContact CG-CE1 3.38Å
897	M	82.6	Confident	84.1	Confident	9 Å²	9	62.3 Å²	62.3	4%	0.044	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-43.4	175.8	-169.4	-178.8	-57.9	0	0	111.8	A888 D892 N893 L901 K960	A888-M897 HydrophobicContact CB-CE 4.09Å; A888-M897 HydrophobicContact CB-SD 4.15Å; D892-M897 HydrophobicContact CB-CE 4.01Å; N893-M897 WeakPolarHBondContact O-CB 3.39Å; N893-M897 PolarHBondContact O-N 3.32Å; M897-L901 WeakPolarHBondContact O-CB 3.34Å; M897-L901 PolarHBondContact O-N 3.27Å; M897-K960 HydrophobicContact SD-CG 4.49Å
898	K	89.1	Confident	83.8	Confident	105 Å²	105	63.4 Å²	63.4	46%	0.457	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-47	175.4	-172.6	173.2	178.2	170.6	0	111.9	S894 I895 Q896 A902 V914 V916	S894-K898 WeakPolarHBondContact O-CB 3.3Å; S894-K898 PolarHBondContact O-N 3.24Å; I895-K898 PolarHBondContact O-N 3.14Å; Q896-K898 VanDerWaalsContact C-N 3.33Å; Q896-K898 PolarHBondContact O-N 3.09Å; K898-A902 WeakPolarHBondContact O-CB 3.08Å; K898-A902 PolarHBondContact O-N 2.83Å; K898-V914 VanDerWaalsContact CE-O 3.26Å; K898-V914 WeakPolarHBondContact CE-O 3.3Å; K898-V914 HydrophobicContact CG-CG1 4.42Å; K898-V916 HydrophobicContact CB-CG2 3.66Å; K898-V916 HydrophobicContact CG-CG2 4.27Å
899	K	88.6	Confident	83.9	Confident	135 Å²	135	74.2 Å²	74.2	59%	0.587	36%	0.356	S	S	*	.	H	α-helix	trans	-65.4	-43.5	-178.9	-174	178.8	177.9	-178.5	0	112	I895 Q896 A902 T903	I895-K899 PolarHBondContact O-N 3.03Å; I895-K899 VanDerWaalsContact O-N 3.13Å; Q896-K899 PolarHBondContact O-N 3.21Å; K899-A902 PolarHBondContact O-N 2.93Å; K899-T903 WeakPolarHBondContact O-CB 2.97Å; K899-T903 PolarHBondContact O-N 3.05Å; K899-T903 PolarHBondContact O-OG1 3.26Å
900	D	85.6	Confident	84.2	Confident	47 Å²	47	73.9 Å²	73.9	25%	0.251	35%	0.354	S	S	.	.	H	α-helix	trans	-65.9	-41.9	179.4	-72.8	-19.6	0	0	0	111.1	Q896 T903 F904 V959 H963	Q896-D900 VanDerWaalsContact NE2-CG 3.33Å; Q896-D900 PolarHBondContact NE2-OD1 3.47Å; Q896-D900 PolarHBondContact NE2-OD2 3.07Å; Q896-D900 WeakPolarHBondContact O-CB 3.21Å; Q896-D900 PolarHBondContact O-N 2.96Å; D900-T903 PolarHBondContact O-N 2.83Å; D900-F904 VanDerWaalsContact O-CB 3.27Å; D900-F904 WeakPolarHBondContact O-CB 3.48Å; D900-F904 PolarHBondContact O-N 3.41Å; D900-V959 HydrophobicContact CB-CG1 4.22Å; D900-H963 IonicContact OD2-CD2 2.98Å; D900-H963 IonicContact OD2-CE1 2.62Å; D900-H963 PolarHBondContact OD2-CE1 3.09Å; D900-H963 IonicContact OD2-NE2 2.74Å; D900-H963 PolarHBondContact OD2-NE2 2.65Å
901	L	86.8	Confident	84.6	Confident	7 Å²	7	77.2 Å²	77.2	4%	0.037	37%	0.369	C	S	.	.	H	α-helix	trans	-69.6	-38.3	178.3	-168	60.3	0	0	0	112.4	W856 I884 T886 M897 F904 L905 V914	W856-L901 HydrophobicContact CE3-CD2 4.24Å; W856-L901 HydrophobicContact CZ3-CD1 3.88Å; W856-L901 HydrophobicContact CZ3-CD2 3.96Å; I884-L901 HydrophobicContact CG2-CD2 4.44Å; T886-L901 HydrophobicContact CG2-CD2 3.4Å; T886-L901 VanDerWaalsContact CG2-CD2 3.4Å; M897-L901 WeakPolarHBondContact O-CB 3.34Å; M897-L901 PolarHBondContact O-N 3.27Å; L901-F904 HydrophobicContact CD1-CD1 4.11Å; L901-F904 WeakPolarHBondContact O-CB 3.35Å; L901-F904 PolarHBondContact O-N 2.94Å; L901-L905 WeakPolarHBondContact O-CG 3.47Å; L901-L905 PolarHBondContact O-N 3.25Å; L901-V914 HydrophobicContact CB-CG1 4.25Å; L901-V914 HydrophobicContact CD2-CG1 3.7Å; L901-V914 HydrophobicContact CD2-CG2 4.33Å; L901-V914 HydrophobicContact CG-CG1 4.18Å; L901-V914 HydrophobicContact CG-CG2 4.23Å
902	A	88.4	Confident	85.2	Confident	47 Å²	47	73 Å²	73	39%	0.388	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-43.4	172.8	0	0	0	0	0	111.7	K898 K899 F904 L905 Y906	K898-A902 WeakPolarHBondContact O-CB 3.08Å; K898-A902 PolarHBondContact O-N 2.83Å; K899-A902 PolarHBondContact O-N 2.93Å; A902-F904 VanDerWaalsContact C-N 3.32Å; A902-F904 PolarHBondContact O-N 3.09Å; A902-L905 PolarHBondContact O-N 3.38Å; A902-Y906 WeakPolarHBondContact O-CB 3.25Å; A902-Y906 PolarHBondContact O-N 3.18Å
903	T	86.5	Confident	85.7	Confident	65 Å²	65	77.4 Å²	77.4	40%	0.399	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-41.5	175.9	-55.3	0	0	0	0	111.1	K899 D900 Y906 Q907	K899-T903 WeakPolarHBondContact O-CB 2.97Å; K899-T903 PolarHBondContact O-N 3.05Å; K899-T903 PolarHBondContact O-OG1 3.26Å; D900-T903 PolarHBondContact O-N 2.83Å; T903-Y906 PolarHBondContact O-N 3.5Å; T903-Q907 WeakPolarHBondContact O-CG 3.39Å; T903-Q907 PolarHBondContact O-N 3.46Å
904	F	83.8	Confident	86.1	Confident	6 Å²	6	74 Å²	74	3%	0.026	35%	0.352	C	S	.	.	H	α-helix	trans	-61	-48.1	176.9	174.8	-96.9	0	0	0	112.3	M865 D900 L901 A902 Y906 Q907 L908 Q953 R954 A956 V959	M865-F904 HydrophobicContact CE-CE1 4Å; M865-F904 HydrophobicContact SD-CE1 4.25Å; D900-F904 VanDerWaalsContact O-CB 3.27Å; D900-F904 WeakPolarHBondContact O-CB 3.48Å; D900-F904 PolarHBondContact O-N 3.41Å; L901-F904 HydrophobicContact CD1-CD1 4.11Å; L901-F904 WeakPolarHBondContact O-CB 3.35Å; L901-F904 PolarHBondContact O-N 2.94Å; A902-F904 VanDerWaalsContact C-N 3.32Å; A902-F904 PolarHBondContact O-N 3.09Å; F904-Y906 VanDerWaalsContact C-N 3.34Å; F904-Y906 PolarHBondContact O-N 3.07Å; F904-Q907 PolarHBondContact O-N 3.18Å; F904-L908 HydrophobicContact CD1-CD1 3.99Å; F904-L908 HydrophobicContact CE1-CD1 3.34Å; F904-L908 HydrophobicContact CE2-CD1 4.07Å; F904-L908 HydrophobicContact CZ-CD1 3.39Å; F904-L908 HydrophobicContact CZ-CG 4.45Å; F904-L908 WeakPolarHBondContact O-CG 3.44Å; F904-L908 PolarHBondContact O-N 3.37Å; F904-L908 VanDerWaalsContact O-N 3.16Å; F904-Q953 WeakPolarHBondContact CE2-O 3.38Å; F904-R954 VanDerWaalsContact CE2-C 3.46Å; F904-R954 WeakPolarHBondContact CE2-O 3.39Å; F904-R954 VanDerWaalsContact CZ-O 3.31Å; F904-R954 WeakPolarHBondContact CZ-O 3.45Å; F904-A956 HydrophobicContact CD1-CB 4.42Å; F904-A956 HydrophobicContact CE1-CB 3.55Å; F904-A956 HydrophobicContact CE2-CB 4.41Å; F904-A956 HydrophobicContact CZ-CB 3.54Å; F904-V959 HydrophobicContact CD2-CG2 3.88Å; F904-V959 HydrophobicContact CE2-CG2 4.16Å
905	L	87	Confident	86.4	Confident	3 Å²	3	75.7 Å²	75.7	2%	0.016	36%	0.357	C	S	.	.	H	α-helix	trans	-65.4	-37.9	177.8	-68.6	169.2	0	0	0	112.2	M865 I884 L901 A902 L908 R909 I910 A912 V914	M865-L905 HydrophobicContact SD-CD2 3.92Å; I884-L905 HydrophobicContact CD1-CD1 3.84Å; I884-L905 HydrophobicContact CD1-CD2 4.07Å; L901-L905 WeakPolarHBondContact O-CG 3.47Å; L901-L905 PolarHBondContact O-N 3.25Å; A902-L905 PolarHBondContact O-N 3.38Å; L905-L908 CarbonylContact O-C 3.6Å; L905-L908 PolarHBondContact O-N 2.91Å; L905-L908 VanDerWaalsContact O-N 3.17Å; L905-R909 PolarHBondContact O-N 2.92Å; L905-I910 HydrophobicContact CD2-CB 3.95Å; L905-I910 HydrophobicContact CD2-CD1 4.27Å; L905-I910 HydrophobicContact CD2-CG2 3.91Å; L905-I910 PolarHBondContact O-N 3.04Å; L905-A912 HydrophobicContact CD1-CB 4.23Å; L905-V914 HydrophobicContact CD1-CG2 3.28Å
906	Y	85.9	Confident	86.6	Confident	194 Å²	194	70.5 Å²	70.5	76%	0.761	33%	0.332	S	S	*	.	H	α-helix	trans	-59.9	-45.5	174.2	179.5	-99.5	0	0	0	111.8	A902 T903 F904 L908 R909	A902-Y906 WeakPolarHBondContact O-CB 3.25Å; A902-Y906 PolarHBondContact O-N 3.18Å; T903-Y906 PolarHBondContact O-N 3.5Å; F904-Y906 VanDerWaalsContact C-N 3.34Å; F904-Y906 PolarHBondContact O-N 3.07Å; Y906-L908 PolarHBondContact O-N 3.36Å; Y906-R909 PolarHBondContact O-N 3.31Å
907	Q	81.3	Confident	86.9	Confident	117 Å²	117	68.2 Å²	68.2	55%	0.547	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-32.6	176	-72.2	177.5	4.1	0	0	112.7	T903 F904	T903-Q907 WeakPolarHBondContact O-CG 3.39Å; T903-Q907 PolarHBondContact O-N 3.46Å; F904-Q907 PolarHBondContact O-N 3.18Å
908	L	78.6	Confident	87	Confident	28 Å²	28	72.4 Å²	72.4	15%	0.147	34%	0.342	C	S	.	.	H	α-helix	trans	-85.8	-4.8	176.9	-66.2	177.8	0	0	0	114	F904 L905 Y906 I910 Y1091	F904-L908 HydrophobicContact CD1-CD1 3.99Å; F904-L908 HydrophobicContact CE1-CD1 3.34Å; F904-L908 HydrophobicContact CE2-CD1 4.07Å; F904-L908 HydrophobicContact CZ-CD1 3.39Å; F904-L908 HydrophobicContact CZ-CG 4.45Å; F904-L908 WeakPolarHBondContact O-CG 3.44Å; F904-L908 PolarHBondContact O-N 3.37Å; F904-L908 VanDerWaalsContact O-N 3.16Å; L905-L908 CarbonylContact O-C 3.6Å; L905-L908 PolarHBondContact O-N 2.91Å; L905-L908 VanDerWaalsContact O-N 3.17Å; Y906-L908 PolarHBondContact O-N 3.36Å; L908-I910 HydrophobicContact CB-CD1 4Å; L908-I910 HydrophobicContact CB-CG1 3.96Å; L908-I910 HydrophobicContact CD1-CD1 4.16Å; L908-I910 PolarHBondContact O-N 3.45Å; L908-Y1091 HydrophobicContact CD1-CD2 3.46Å; L908-Y1091 VanDerWaalsContact CD1-CD2 3.46Å; L908-Y1091 HydrophobicContact CD1-CE2 3.47Å; L908-Y1091 VanDerWaalsContact CD1-CE2 3.47Å; L908-Y1091 HydrophobicContact CD1-CG 4.27Å; L908-Y1091 HydrophobicContact CD2-CD2 3.87Å; L908-Y1091 HydrophobicContact CD2-CE2 4.4Å; L908-Y1091 HydrophobicContact CG-CD2 4.2Å
909	R	85.1	Confident	86.7	Confident	228 Å²	228	68 Å²	68	86%	0.86	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	33.5	-174.5	-53.7	178.7	178	179.2	-2.2	113.1	L905 Y906	L905-R909 PolarHBondContact O-N 2.92Å; Y906-R909 PolarHBondContact O-N 3.31Å
910	I	86.5	Confident	86.3	Confident	10 Å²	10	66.5 Å²	66.5	5%	0.051	32%	0.318	C	S	.	.			trans	-93.2	111.9	174.2	-63.2	177.7	0	0	0	107.6	F869 M882 L905 L908 A912 Y1091	F869-I910 HydrophobicContact CD2-CG1 4.21Å; F869-I910 HydrophobicContact CE2-CG1 4.42Å; M882-I910 HydrophobicContact CE-CG2 3.17Å; L905-I910 HydrophobicContact CD2-CB 3.95Å; L905-I910 HydrophobicContact CD2-CD1 4.27Å; L905-I910 HydrophobicContact CD2-CG2 3.91Å; L905-I910 PolarHBondContact O-N 3.04Å; L908-I910 HydrophobicContact CB-CD1 4Å; L908-I910 HydrophobicContact CB-CG1 3.96Å; L908-I910 HydrophobicContact CD1-CD1 4.16Å; L908-I910 PolarHBondContact O-N 3.45Å; I910-A912 HydrophobicContact CG2-CB 4.37Å; I910-A912 PolarHBondContact O-N 3.43Å; I910-Y1091 HydrophobicContact CD1-CD1 3.83Å; I910-Y1091 HydrophobicContact CD1-CD2 4.48Å; I910-Y1091 HydrophobicContact CD1-CE1 4.47Å; I910-Y1091 HydrophobicContact CD1-CG 3.84Å
911	E	85.8	Confident	85.5	Confident	162 Å²	162	67.8 Å²	67.8	76%	0.757	33%	0.325	S	S	*	.			trans	-79.5	99.6	176.6	-171.1	-177.9	-162.6	0	0	109.9
912	A	89.1	Confident	84.7	Confident	26 Å²	26	70.8 Å²	70.8	22%	0.215	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	148.3	178	0	0	0	0	0	112	M882 I884 L905 I910	M882-A912 HydrophobicContact CB-CB 4.05Å; M882-A912 HydrophobicContact CE-CB 3.35Å; M882-A912 HydrophobicContact CG-CB 4.15Å; M882-A912 VanDerWaalsContact O-CA 3.24Å; M882-A912 WeakPolarHBondContact O-CA 3.35Å; I884-A912 HydrophobicContact CD1-CB 3.97Å; I884-A912 HydrophobicContact CG1-CB 4.33Å; L905-A912 HydrophobicContact CD1-CB 4.23Å; I910-A912 HydrophobicContact CG2-CB 4.37Å; I910-A912 PolarHBondContact O-N 3.43Å
913	E	90.8	Very high	83.9	Confident	119 Å²	119	69.4 Å²	69.4	56%	0.556	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.7	171.5	-65.9	172.5	-169.8	0	0	109.4	M882 R883 I884	M882-E913 PolarHBondContact O-N 3.02Å; R883-E913 CarbonylContact C-O 3.41Å; R883-E913 WeakPolarHBondContact CA-O 3.2Å; R883-E913 HydrophobicContact CG-CB 4.41Å; I884-E913 PolarHBondContact N-O 2.92Å
914	V	91.9	Very high	83.3	Confident	19 Å²	19	66.5 Å²	66.5	12%	0.115	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.7	179.7	178.3	0	0	0	0	110.2	I884 K898 L901 L905	I884-V914 WeakPolarHBondContact O-CA 3.29Å; K898-V914 VanDerWaalsContact CE-O 3.26Å; K898-V914 WeakPolarHBondContact CE-O 3.3Å; K898-V914 HydrophobicContact CG-CG1 4.42Å; L901-V914 HydrophobicContact CB-CG1 4.25Å; L901-V914 HydrophobicContact CD2-CG1 3.7Å; L901-V914 HydrophobicContact CD2-CG2 4.33Å; L901-V914 HydrophobicContact CG-CG1 4.18Å; L901-V914 HydrophobicContact CG-CG2 4.23Å; L905-V914 HydrophobicContact CD1-CG2 3.28Å
915	E	92.2	Very high	82.6	Confident	61 Å²	61	67.2 Å²	67.2	29%	0.285	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.6	171.9	-166.5	171.7	178.7	0	0	110.1	I884 F885 T886 R1039	I884-E915 PolarHBondContact O-N 3.08Å; F885-E915 CarbonylContact C-O 3.58Å; F885-E915 VanDerWaalsContact CA-O 3.32Å; F885-E915 WeakPolarHBondContact CA-O 3.46Å; F885-E915 HydrophobicContact CD1-CB 3.9Å; F885-E915 HydrophobicContact CD1-CG 4.46Å; F885-E915 HydrophobicContact CE1-CB 4.07Å; F885-E915 WeakPolarHBondContact CE1-OE2 3.3Å; T886-E915 PolarHBondContact N-O 2.92Å; E915-R1039 IonicContact OE1-CZ 3.25Å; E915-R1039 VanDerWaalsContact OE1-CZ 3.25Å; E915-R1039 IonicContact OE1-NH1 2.73Å; E915-R1039 PolarHBondContact OE1-NH1 3.23Å; E915-R1039 IonicContact OE1-NH2 3.17Å; E915-R1039 PolarHBondContact OE1-NH2 3.44Å; E915-R1039 IonicContact OE2-NH1 3.32Å; E915-R1039 PolarHBondContact OE2-NH1 3.11Å
916	V	89.5	Confident	81.6	Confident	25 Å²	25	67.5 Å²	67.5	15%	0.152	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.6	176.8	-176.3	0	0	0	0	107.6	T886 A888 K898	T886-V916 WeakPolarHBondContact O-CA 3.44Å; T886-V916 WeakPolarHBondContact OG1-CG2 3.28Å; A888-V916 HydrophobicContact CB-CG1 3.53Å; K898-V916 HydrophobicContact CB-CG2 3.66Å; K898-V916 HydrophobicContact CG-CG2 4.27Å
917	V	89.4	Confident	80.7	Confident	20 Å²	20	58.6 Å²	58.6	12%	0.121	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.8	179.8	-177	0	0	0	0	108.2	W855 F885 T886 V887 A888 M919 V1035	W855-V917 HydrophobicContact CH2-CG2 4.24Å; W855-V917 HydrophobicContact CZ3-CG2 4.18Å; F885-V917 HydrophobicContact CD1-CG2 4.4Å; T886-V917 PolarHBondContact O-N 3.13Å; V887-V917 WeakPolarHBondContact CA-O 3.5Å; A888-V917 PolarHBondContact N-O 3.48Å; V917-M919 HydrophobicContact CG1-CE 4.1Å; V917-M919 HydrophobicContact CG1-CG 4.41Å; V917-V1035 HydrophobicContact CG1-CG1 4Å
918	E	85.9	Confident	79.9	Confident	96 Å²	96	54.5 Å²	54.5	45%	0.449	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132.3	178.6	-68	174.6	-178.1	0	0	110.5	A888 M890 S894	A888-E918 WeakPolarHBondContact O-CA 3.45Å; M890-E918 HydrophobicContact SD-CB 4.07Å; S894-E918 WeakPolarHBondContact CB-OE1 3.44Å; S894-E918 PolarHBondContact OG-OE1 3.14Å
919	M	82.4	Confident	79.1	Confident	13 Å²	13	60 Å²	60	6%	0.064	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.4	178	-69.3	-165.8	169.8	0	0	111.7	V887 A888 M890 V917 I924 L1032 V1035	V887-M919 HydrophobicContact CG1-CB 3.98Å; V887-M919 HydrophobicContact CG1-CG 3.96Å; V887-M919 HydrophobicContact CG1-SD 3.99Å; A888-M919 PolarHBondContact O-N 3.35Å; M890-M919 PolarHBondContact N-O 3.07Å; V917-M919 HydrophobicContact CG1-CE 4.1Å; V917-M919 HydrophobicContact CG1-CG 4.41Å; M919-I924 HydrophobicContact CB-CG2 4.29Å; M919-I924 HydrophobicContact SD-CG2 4.28Å; M919-L1032 HydrophobicContact CE-CD1 3.76Å; M919-L1032 HydrophobicContact SD-CD1 3.68Å; M919-V1035 HydrophobicContact CE-CB 3.62Å; M919-V1035 HydrophobicContact CE-CG1 3.56Å; M919-V1035 HydrophobicContact CE-CG2 3.72Å
920	H	79.6	Confident	77.9	Confident	104 Å²	104	52.3 Å²	52.3	48%	0.481	27%	0.265	S	S	.	.			trans	-75.5	150.3	172.6	-75.8	-69.2	0	0	0	112	S922 D923	H920-S922 PolarHBondContact O-N 3.22Å; H920-D923 WeakPolarHBondContact O-CA 3.5Å; H920-D923 WeakPolarHBondContact O-CB 3.33Å; H920-D923 PolarHBondContact O-N 3.08Å
921	D	69.6	Low	76.8	Confident	73 Å²	73	53.4 Å²	53.4	39%	0.39	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-58.5	-32.1	179.6	-83.8	9.8	0	0	0	114.3	Q889 D923 I924 S925	Q889-D921 VanDerWaalsContact CG-OD1 3.27Å; Q889-D921 WeakPolarHBondContact CG-OD1 3.32Å; Q889-D921 VanDerWaalsContact NE2-CG 3.31Å; Q889-D921 PolarHBondContact NE2-OD1 3.39Å; Q889-D921 PolarHBondContact NE2-OD2 2.98Å; D921-D923 PolarHBondContact O-N 3.25Å; D921-I924 PolarHBondContact O-N 3.45Å; D921-S925 PolarHBondContact O-N 3.27Å; D921-S925 VanDerWaalsContact O-N 3.15Å
922	S	69.6	Low	75.5	Confident	71 Å²	71	50.2 Å²	50.2	50%	0.497	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-59.3	-32.9	173.6	56.3	0	0	0	0	112.1	H920 S925 T1028	H920-S922 PolarHBondContact O-N 3.22Å; S922-S925 PolarHBondContact O-OG 3.47Å; S922-T1028 PolarHBondContact O-OG1 2.71Å
923	D	72.4	Confident	74.3	Confident	18 Å²	18	53.9 Å²	53.9	10%	0.096	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-91.4	-1.5	-171.9	-55.9	-16.7	0	0	0	111.9	H920 D921 T1028 K1031	H920-D923 WeakPolarHBondContact O-CA 3.5Å; H920-D923 WeakPolarHBondContact O-CB 3.33Å; H920-D923 PolarHBondContact O-N 3.08Å; D921-D923 PolarHBondContact O-N 3.25Å; D923-T1028 WeakPolarHBondContact O-CG2 3.37Å; D923-K1031 HydrophobicContact CB-CD 4.49Å; D923-K1031 VanDerWaalsContact CG-NZ 3.31Å; D923-K1031 WeakPolarHBondContact OD1-CD 3.35Å; D923-K1031 IonicContact OD1-NZ 2.67Å; D923-K1031 PolarHBondContact OD1-NZ 2.96Å; D923-K1031 WeakPolarHBondContact OD2-CD 3.44Å; D923-K1031 IonicContact OD2-NZ 3.65Å; D923-K1031 PolarHBondContact OD2-NZ 3.33Å
924	I	73.4	Confident	73.1	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.021	27%	0.272	C	S	.	.	S	Bend	trans	-129.5	11	174.1	59.2	168.5	0	0	0	113.4	V887 Q889 M919 D921 A926 Y927 T928	V887-I924 HydrophobicContact CG1-CG2 3.96Å; Q889-I924 HydrophobicContact CG-CD1 3.71Å; M919-I924 HydrophobicContact CB-CG2 4.29Å; M919-I924 HydrophobicContact SD-CG2 4.28Å; D921-I924 PolarHBondContact O-N 3.45Å; I924-A926 PolarHBondContact O-N 3.38Å; I924-A926 VanDerWaalsContact O-N 3.08Å; I924-Y927 PolarHBondContact O-N 3.32Å; I924-T928 HydrophobicContact CB-CG2 4.41Å; I924-T928 HydrophobicContact CD1-CG2 3.57Å; I924-T928 HydrophobicContact CG1-CG2 3.76Å; I924-T928 PolarHBondContact O-N 3.49Å; I924-T928 PolarHBondContact O-OG1 3.39Å
925	S	68.9	Low	71.8	Confident	20 Å²	20	54.5 Å²	54.5	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-55.1	-30.7	-172.4	60.2	0	0	0	0	115	D921 S922 Y927 T928 Y929	D921-S925 PolarHBondContact O-N 3.27Å; D921-S925 VanDerWaalsContact O-N 3.15Å; S922-S925 PolarHBondContact O-OG 3.47Å; S925-Y927 VanDerWaalsContact C-N 3.27Å; S925-Y927 PolarHBondContact O-N 2.98Å; S925-T928 WeakPolarHBondContact CA-OG1 3.07Å; S925-T928 PolarHBondContact O-OG1 2.84Å; S925-Y929 PolarHBondContact O-N 3.01Å
926	A	64.8	Low	70.6	Confident	9 Å²	9	57.7 Å²	57.7	7%	0.074	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-25.7	176.6	0	0	0	0	0	113.4	I924 F1066	I924-A926 PolarHBondContact O-N 3.38Å; I924-A926 VanDerWaalsContact O-N 3.08Å; A926-F1066 HydrophobicContact CB-CE2 4.23Å; A926-F1066 HydrophobicContact CB-CZ 3.99Å
927	Y	68.2	Low	69.7	Low	7 Å²	7	62 Å²	62	3%	0.027	31%	0.312	C	S	.	.	H	α-helix	trans	-99.2	-26.7	-178.7	-67.1	-86.4	0	0	0	113	I857 H859 I924 S925 L1032 N1049 P1051 L1070	I857-Y927 HydrophobicContact CD1-CE2 4.24Å; I857-Y927 HydrophobicContact CG2-CD1 4.16Å; I857-Y927 HydrophobicContact CG2-CD2 3.8Å; I857-Y927 HydrophobicContact CG2-CE1 4.49Å; I857-Y927 HydrophobicContact CG2-CE2 4.18Å; I857-Y927 HydrophobicContact CG2-CG 3.78Å; H859-Y927 PolarHBondContact NE2-O 3.4Å; I924-Y927 PolarHBondContact O-N 3.32Å; S925-Y927 VanDerWaalsContact C-N 3.27Å; S925-Y927 PolarHBondContact O-N 2.98Å; Y927-L1032 HydrophobicContact CE2-CD2 4.01Å; Y927-N1049 WeakPolarHBondContact CD1-ND2 3.33Å; Y927-N1049 WeakPolarHBondContact CE1-ND2 3.11Å; Y927-N1049 WeakPolarHBondContact CE1-O 3.36Å; Y927-N1049 PolarHBondContact OH-O 2.94Å; Y927-P1051 HydrophobicContact CD1-CB 4.27Å; Y927-P1051 HydrophobicContact CE1-CB 3.98Å; Y927-P1051 HydrophobicContact CE1-CG 4.39Å; Y927-L1070 WeakPolarHBondContact OH-CD2 3.34Å
928	T	64.5	Low	68.8	Low	32 Å²	32	63.2 Å²	63.2	20%	0.196	32%	0.315	C	S	.	.	H	α-helix	trans	-81.9	-28.5	-177.3	54.4	0	0	0	0	113.4	V858 I924 S925 E930 R931	V858-T928 HydrophobicContact CG2-CG2 4.36Å; I924-T928 HydrophobicContact CB-CG2 4.41Å; I924-T928 HydrophobicContact CD1-CG2 3.57Å; I924-T928 HydrophobicContact CG1-CG2 3.76Å; I924-T928 PolarHBondContact O-N 3.49Å; I924-T928 PolarHBondContact O-OG1 3.39Å; S925-T928 WeakPolarHBondContact CA-OG1 3.07Å; S925-T928 PolarHBondContact O-OG1 2.84Å; T928-E930 VanDerWaalsContact C-N 3.31Å; T928-E930 PolarHBondContact O-N 3.5Å; T928-R931 WeakPolarHBondContact O-CB 3.16Å; T928-R931 PolarHBondContact O-N 3.42Å
929	Y	62.6	Low	68.1	Low	143 Å²	143	61.2 Å²	61.2	56%	0.561	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-36.6	-178.7	-177.3	-99	0	0	0	113.6	S925 R931	S925-Y929 PolarHBondContact O-N 3.01Å; Y929-R931 VanDerWaalsContact C-N 3.34Å
930	E	59.4	Low	67.6	Low	66 Å²	66	65.6 Å²	65.6	31%	0.308	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.7	179.4	-64	-174.3	160	0	0	113.3	T928 M934 R1081	T928-E930 VanDerWaalsContact C-N 3.31Å; T928-E930 PolarHBondContact O-N 3.5Å; E930-M934 WeakPolarHBondContact O-CG 3.46Å; E930-M934 PolarHBondContact O-N 3.04Å; E930-R1081 IonicContact OE2-NH2 3.14Å
931	R	63.4	Low	67.4	Low	33 Å²	33	62.6 Å²	62.6	13%	0.125	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-47.8	-168.3	-175.3	-176.5	-174.6	-179.7	-1.3	113.3	V858 T928 Y929 M935 S964	V858-R931 HydrophobicContact CG1-CB 4.36Å; V858-R931 HydrophobicContact CG1-CG 3.9Å; T928-R931 WeakPolarHBondContact O-CB 3.16Å; T928-R931 PolarHBondContact O-N 3.42Å; Y929-R931 VanDerWaalsContact C-N 3.34Å; R931-M935 WeakPolarHBondContact O-CB 3.28Å; R931-M935 PolarHBondContact O-N 3.16Å; R931-M935 VanDerWaalsContact O-N 3.1Å; R931-S964 PolarHBondContact NH2-OG 3.48Å; R931-S964 VanDerWaalsContact NH2-OG 3.08Å
932	T	59.1	Low	67.4	Low	95 Å²	95	60 Å²	60	58%	0.583	31%	0.305	S	S	*	.	H	α-helix	trans	-67.7	-42.9	-170.2	-9.3	0	0	0	0	112.3	M968	T932-M968 HydrophobicContact CG2-CE 4.49Å
933	L	62.2	Low	67.5	Low	104 Å²	104	66.1 Å²	66.1	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-73.9	-38.7	-176.4	-169.9	135	0	0	0	112.5
934	M	65.2	Low	67.4	Low	98 Å²	98	73 Å²	73	48%	0.483	35%	0.348	S	S	.	.	H	α-helix	trans	-76.5	-30.4	-180	-65.7	-63.6	-168.1	0	0	112.7	E930 R938	E930-M934 WeakPolarHBondContact O-CG 3.46Å; E930-M934 PolarHBondContact O-N 3.04Å; M934-R938 WeakPolarHBondContact O-CB 3.48Å; M934-R938 PolarHBondContact O-N 3.06Å
935	M	65.2	Low	67	Low	52 Å²	52	74.1 Å²	74.1	26%	0.256	35%	0.354	S	S	.	.	H	α-helix	trans	-66.6	-39.8	178.7	-179	179.3	153.1	0	0	112.3	R931 R938 S939 L965	R931-M935 WeakPolarHBondContact O-CB 3.28Å; R931-M935 PolarHBondContact O-N 3.16Å; R931-M935 VanDerWaalsContact O-N 3.1Å; M935-R938 PolarHBondContact O-N 3.25Å; M935-S939 WeakPolarHBondContact O-CB 3.24Å; M935-S939 PolarHBondContact O-N 3.48Å; M935-L965 HydrophobicContact CE-CD1 3.86Å; M935-L965 HydrophobicContact CE-CD2 3.51Å; M935-L965 HydrophobicContact CE-CG 3.63Å
936	E	67.8	Low	67.1	Low	129 Å²	129	84 Å²	84	60%	0.603	39%	0.388	S	S	*	.	H	α-helix	trans	-67	-45.3	177.8	-169.6	175.7	-172.6	0	0	111.8	R938 S939 Q940	E936-R938 VanDerWaalsContact C-N 3.31Å; E936-R938 PolarHBondContact O-N 3.17Å; E936-S939 WeakPolarHBondContact O-CB 3.32Å; E936-S939 PolarHBondContact O-N 3.05Å; E936-Q940 WeakPolarHBondContact O-CG 3.22Å; E936-Q940 PolarHBondContact O-N 3.02Å
937	Q	70.1	Confident	67.4	Low	116 Å²	116	83.9 Å²	83.9	54%	0.542	39%	0.386	S	S	.	.	H	α-helix	trans	-58.4	-43.2	174.4	-71.4	-173.9	-12.1	0	0	111.8	Q940 M941	Q937-Q940 PolarHBondContact O-N 3.03Å; Q937-M941 PolarHBondContact O-N 3.36Å
938	R	69.9	Low	67.7	Low	44 Å²	44	86.1 Å²	86.1	17%	0.166	40%	0.403	C	S	.	.	H	α-helix	trans	-63.6	-41.5	176	-175	179	179.6	151.6	4.3	112.1	M934 M935 E936 M941 L942 E955	M934-R938 WeakPolarHBondContact O-CB 3.48Å; M934-R938 PolarHBondContact O-N 3.06Å; M935-R938 PolarHBondContact O-N 3.25Å; E936-R938 VanDerWaalsContact C-N 3.31Å; E936-R938 PolarHBondContact O-N 3.17Å; R938-M941 WeakPolarHBondContact O-CB 3.39Å; R938-M941 PolarHBondContact O-N 2.65Å; R938-L942 HydrophobicContact CG-CD1 4.19Å; R938-L942 WeakPolarHBondContact O-CG 3.41Å; R938-L942 PolarHBondContact O-N 2.94Å; R938-E955 IonicContact CZ-OE1 3.51Å; R938-E955 IonicContact NE-OE1 3.17Å; R938-E955 IonicContact NH2-OE1 2.79Å; R938-E955 PolarHBondContact NH2-OE1 2.96Å
939	S	71	Confident	68.1	Low	54 Å²	54	88.9 Å²	88.9	38%	0.378	42%	0.423	S	S	.	.	H	α-helix	trans	-63.1	-42.2	177.6	-173	0	0	0	0	112.1	M935 E936 L942 R943	M935-S939 WeakPolarHBondContact O-CB 3.24Å; M935-S939 PolarHBondContact O-N 3.48Å; E936-S939 WeakPolarHBondContact O-CB 3.32Å; E936-S939 PolarHBondContact O-N 3.05Å; S939-L942 PolarHBondContact O-N 3.46Å; S939-R943 WeakPolarHBondContact O-CG 3.29Å; S939-R943 PolarHBondContact O-N 2.98Å; S939-R943 VanDerWaalsContact O-N 3.1Å
940	Q	73.3	Confident	68.6	Low	105 Å²	105	84.3 Å²	84.3	49%	0.491	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-43.9	173.7	-69.3	178	0.9	0	0	111.7	E936 Q937 L942 R943 Q944	E936-Q940 WeakPolarHBondContact O-CG 3.22Å; E936-Q940 PolarHBondContact O-N 3.02Å; Q937-Q940 PolarHBondContact O-N 3.03Å; Q940-L942 PolarHBondContact O-N 3.37Å; Q940-R943 PolarHBondContact O-N 3.49Å; Q940-Q944 PolarHBondContact O-N 3.2Å
941	M	74.3	Confident	69.3	Low	41 Å²	41	84 Å²	84	20%	0.202	41%	0.414	C	S	.	.	H	α-helix	trans	-60.6	-44.4	176.3	-168.4	-156.6	-179.7	0	0	112	Q937 R938 R943 Q944 M945 R1085	Q937-M941 PolarHBondContact O-N 3.36Å; R938-M941 WeakPolarHBondContact O-CB 3.39Å; R938-M941 PolarHBondContact O-N 2.65Å; M941-R943 VanDerWaalsContact C-N 3.33Å; M941-R943 PolarHBondContact O-N 2.91Å; M941-Q944 WeakPolarHBondContact O-CB 3.21Å; M941-Q944 PolarHBondContact O-N 3.04Å; M941-M945 HydrophobicContact CE-CE 3.35Å; M941-M945 HydrophobicContact CG-CE 3.57Å; M941-M945 PolarHBondContact O-N 3.07Å; M941-M945 HydrophobicContact SD-CE 3.53Å; M941-M945 VanDerWaalsContact SD-CE 3.53Å; M941-R1085 HydrophobicContact CE-CB 3.53Å; M941-R1085 HydrophobicContact CE-CG 3.66Å; M941-R1085 HydrophobicContact SD-CB 4.22Å; M941-R1085 HydrophobicContact SD-CG 4.1Å
942	L	70.9	Confident	69.7	Low	20 Å²	20	89 Å²	89	11%	0.105	43%	0.433	C	S	.	.	H	α-helix	trans	-64	-35.1	178.3	-72.8	168.7	0	0	0	112.6	R938 S939 Q940 M945 L947 E955 L958 V1087	R938-L942 HydrophobicContact CG-CD1 4.19Å; R938-L942 WeakPolarHBondContact O-CG 3.41Å; R938-L942 PolarHBondContact O-N 2.94Å; S939-L942 PolarHBondContact O-N 3.46Å; Q940-L942 PolarHBondContact O-N 3.37Å; L942-M945 HydrophobicContact CD2-CE 4.49Å; L942-M945 PolarHBondContact O-N 2.84Å; L942-L947 HydrophobicContact CD2-CD1 3.67Å; L942-E955 WeakPolarHBondContact CD2-OE2 3.49Å; L942-L958 HydrophobicContact CD1-CD1 4.13Å; L942-L958 HydrophobicContact CD1-CD2 3.88Å; L942-L958 HydrophobicContact CD1-CG 4.28Å; L942-V1087 HydrophobicContact CD2-CG1 4.39Å; L942-V1087 HydrophobicContact CD2-CG2 3.7Å
943	R	71.7	Confident	70.3	Confident	198 Å²	198	89 Å²	89	75%	0.747	43%	0.426	S	S	*	.	H	α-helix	trans	-63.7	-39.5	174	-72.6	177.4	-173.8	-175.4	1.4	112	S939 Q940 M941 M945 R946	S939-R943 WeakPolarHBondContact O-CG 3.29Å; S939-R943 PolarHBondContact O-N 2.98Å; S939-R943 VanDerWaalsContact O-N 3.1Å; Q940-R943 PolarHBondContact O-N 3.49Å; M941-R943 VanDerWaalsContact C-N 3.33Å; M941-R943 PolarHBondContact O-N 2.91Å; R943-M945 VanDerWaalsContact C-N 3.25Å; R943-M945 PolarHBondContact O-N 2.87Å; R943-R946 PolarHBondContact O-N 2.93Å
944	Q	69.4	Low	70.9	Confident	163 Å²	163	89.9 Å²	89.9	76%	0.762	42%	0.422	S	S	*	.	H	α-helix	trans	-64.7	-28.2	177.2	-68.1	176.8	-4	0	0	112.9	Q940 M941 R946	Q940-Q944 PolarHBondContact O-N 3.2Å; M941-Q944 WeakPolarHBondContact O-CB 3.21Å; M941-Q944 PolarHBondContact O-N 3.04Å; Q944-R946 VanDerWaalsContact C-N 3.32Å; Q944-R946 PolarHBondContact O-N 3.15Å
945	M	65.4	Low	71.5	Confident	28 Å²	28	85.3 Å²	85.3	14%	0.138	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-4.2	-177.3	-68.8	-167.8	-127.8	0	0	115.6	T693 K694 M941 L942 R943 L947 V1087	T693-M945 PolarHBondContact OG1-SD 2.95Å; K694-M945 WeakPolarHBondContact CE-O 3.46Å; M941-M945 HydrophobicContact CE-CE 3.35Å; M941-M945 HydrophobicContact CG-CE 3.57Å; M941-M945 PolarHBondContact O-N 3.07Å; M941-M945 HydrophobicContact SD-CE 3.53Å; M941-M945 VanDerWaalsContact SD-CE 3.53Å; L942-M945 HydrophobicContact CD2-CE 4.49Å; L942-M945 PolarHBondContact O-N 2.84Å; R943-M945 VanDerWaalsContact C-N 3.25Å; R943-M945 PolarHBondContact O-N 2.87Å; M945-L947 VanDerWaalsContact C-N 3.33Å; M945-L947 HydrophobicContact CB-CG 4.27Å; M945-L947 PolarHBondContact O-N 2.03Å; M945-V1087 HydrophobicContact CE-CG2 3.88Å; M945-V1087 HydrophobicContact SD-CG2 4.31Å
946	R	69.7	Low	71.9	Confident	226 Å²	226	82.9 Å²	82.9	85%	0.853	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	52.4	-179.3	-61.9	-177	179	179.1	-0.7	112.8	R943 Q944	R943-R946 PolarHBondContact O-N 2.93Å; Q944-R946 VanDerWaalsContact C-N 3.32Å; Q944-R946 PolarHBondContact O-N 3.15Å
947	L	71.8	Confident	72.3	Confident	7 Å²	7	76.9 Å²	76.9	4%	0.037	36%	0.36	C	S	.	.			trans	-71.2	137.6	176.2	-67.7	167.7	0	0	0	111	K694 L942 M945 E951 R952 V1087	K694-L947 HydrophobicContact CD-CD2 3.79Å; K694-L947 HydrophobicContact CG-CD2 3.97Å; L942-L947 HydrophobicContact CD2-CD1 3.67Å; M945-L947 VanDerWaalsContact C-N 3.33Å; M945-L947 HydrophobicContact CB-CG 4.27Å; M945-L947 PolarHBondContact O-N 2.03Å; L947-E951 HydrophobicContact CB-CB 4.37Å; L947-E951 HydrophobicContact CD2-CB 4.19Å; L947-E951 WeakPolarHBondContact CD2-OE2 3.26Å; L947-R952 HydrophobicContact CB-CG 3.9Å; L947-R952 HydrophobicContact CD1-CG 4.44Å; L947-R952 PolarHBondContact O-NE 2.92Å; L947-R952 PolarHBondContact O-NH2 3.44Å; L947-V1087 HydrophobicContact CD1-CG1 4.46Å
948	S	75.8	Confident	72.4	Confident	55 Å²	55	73.6 Å²	73.6	39%	0.385	35%	0.346	S	S	.	.			trans	-66.5	159.6	172.1	76	0	0	0	0	110.9	A950 E951 R952	S948-A950 VanDerWaalsContact C-N 3.27Å; S948-A950 PolarHBondContact O-N 3.49Å; S948-E951 PolarHBondContact N-OE2 3.42Å; S948-E951 VanDerWaalsContact N-OE2 3.16Å; S948-E951 PolarHBondContact O-N 2.87Å; S948-E951 VanDerWaalsContact OG-CG 3.28Å; S948-E951 WeakPolarHBondContact OG-CG 3.48Å; S948-E951 PolarHBondContact OG-N 3.34Å; S948-R952 PolarHBondContact O-N 3.08Å
949	S	71.8	Confident	72.6	Confident	89 Å²	89	72.4 Å²	72.4	62%	0.622	34%	0.344	S	S	*	.	H	α-helix	trans	-59.5	-38.5	178.4	49.1	0	0	0	0	112.3	R952 Q953	S949-R952 PolarHBondContact O-N 3.3Å; S949-Q953 WeakPolarHBondContact O-CG 3.36Å; S949-Q953 PolarHBondContact O-N 3.24Å
950	A	73	Confident	72.7	Confident	48 Å²	48	70.4 Å²	70.4	40%	0.397	33%	0.328	S	S	.	.	H	α-helix	trans	-67.1	-37.4	175.7	0	0	0	0	0	112.7	S948 Q953	S948-A950 VanDerWaalsContact C-N 3.27Å; S948-A950 PolarHBondContact O-N 3.49Å; A950-Q953 PolarHBondContact O-N 3.32Å
951	E	73.6	Confident	72.5	Confident	60 Å²	60	65.9 Å²	65.9	28%	0.28	31%	0.307	S	S	.	.	H	α-helix	trans	-66.7	-41.1	175.8	-75.1	171	174.4	0	0	111.8	K694 L947 S948 Q953 R954 T1089	K694-E951 IonicContact NZ-OE2 3.69Å; K694-E951 PolarHBondContact NZ-OE2 3.47Å; L947-E951 HydrophobicContact CB-CB 4.37Å; L947-E951 HydrophobicContact CD2-CB 4.19Å; L947-E951 WeakPolarHBondContact CD2-OE2 3.26Å; S948-E951 PolarHBondContact N-OE2 3.42Å; S948-E951 VanDerWaalsContact N-OE2 3.16Å; S948-E951 PolarHBondContact O-N 2.87Å; S948-E951 VanDerWaalsContact OG-CG 3.28Å; S948-E951 WeakPolarHBondContact OG-CG 3.48Å; S948-E951 PolarHBondContact OG-N 3.34Å; E951-Q953 VanDerWaalsContact C-N 3.28Å; E951-Q953 PolarHBondContact O-N 3.22Å; E951-R954 PolarHBondContact O-N 3.45Å; E951-T1089 HydrophobicContact CB-CG2 4.33Å
952	R	72.6	Confident	72.3	Confident	138 Å²	138	70.8 Å²	70.8	52%	0.521	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-34.9	177.6	-71	-175.5	-138.7	167.1	3.8	112.9	L947 S948 S949 R954 E955 L958	L947-R952 HydrophobicContact CB-CG 3.9Å; L947-R952 HydrophobicContact CD1-CG 4.44Å; L947-R952 PolarHBondContact O-NE 2.92Å; L947-R952 PolarHBondContact O-NH2 3.44Å; S948-R952 PolarHBondContact O-N 3.08Å; S949-R952 PolarHBondContact O-N 3.3Å; R952-R954 PolarHBondContact O-N 3.43Å; R952-E955 PolarHBondContact O-N 2.83Å; R952-L958 HydrophobicContact CB-CD1 4.15Å; R952-L958 HydrophobicContact CG-CD1 4.37Å
953	Q	72.1	Confident	71.7	Confident	95 Å²	95	72 Å²	72	44%	0.444	33%	0.329	S	S	.	.	H	α-helix	trans	-69.9	-17	177.1	-70.9	176.9	-3.7	0	0	112.9	F904 S949 A950 E951	F904-Q953 WeakPolarHBondContact CE2-O 3.38Å; S949-Q953 WeakPolarHBondContact O-CG 3.36Å; S949-Q953 PolarHBondContact O-N 3.24Å; A950-Q953 PolarHBondContact O-N 3.32Å; E951-Q953 VanDerWaalsContact C-N 3.28Å; E951-Q953 PolarHBondContact O-N 3.22Å
954	R	74.3	Confident	71	Confident	121 Å²	121	63.9 Å²	63.9	46%	0.457	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.8	177.4	-66.1	179	-177.1	-176.5	0.7	113.7	F904 E951 R952	F904-R954 VanDerWaalsContact CE2-C 3.46Å; F904-R954 WeakPolarHBondContact CE2-O 3.39Å; F904-R954 VanDerWaalsContact CZ-O 3.31Å; F904-R954 WeakPolarHBondContact CZ-O 3.45Å; E951-R954 PolarHBondContact O-N 3.45Å; R952-R954 PolarHBondContact O-N 3.43Å
955	E	77.5	Confident	70.2	Confident	3 Å²	3	60.2 Å²	60.2	1%	0.014	29%	0.287	C	S	.	.			trans	-94.6	115.5	173.5	-173.8	-180	176.1	0	0	110.5	R938 L942 R952 Q957 L958 V959	R938-E955 IonicContact CZ-OE1 3.51Å; R938-E955 IonicContact NE-OE1 3.17Å; R938-E955 IonicContact NH2-OE1 2.79Å; R938-E955 PolarHBondContact NH2-OE1 2.96Å; L942-E955 WeakPolarHBondContact CD2-OE2 3.49Å; R952-E955 PolarHBondContact O-N 2.83Å; E955-Q957 PolarHBondContact O-N 2.68Å; E955-L958 HydrophobicContact CB-CD1 4.12Å; E955-L958 HydrophobicContact CB-CG 4.35Å; E955-L958 HydrophobicContact CG-CD1 4.42Å; E955-L958 HydrophobicContact CG-CG 4.29Å; E955-L958 PolarHBondContact O-N 3.28Å; E955-L958 VanDerWaalsContact OE2-CD1 3.27Å; E955-L958 WeakPolarHBondContact OE2-CD1 3.15Å; E955-V959 PolarHBondContact O-N 3.45Å
956	A	73.6	Confident	69.4	Low	1 Å²	1	64 Å²	64	1%	0.008	31%	0.312	C	S	.	.	H	α-helix	trans	-65.8	-35.2	-170.3	0	0	0	0	0	115.1	W856 M865 F904 L958 V959 K960	W856-A956 HydrophobicContact CH2-CB 4.48Å; M865-A956 HydrophobicContact CE-CB 3.02Å; M865-A956 HydrophobicContact SD-CB 4.35Å; F904-A956 HydrophobicContact CD1-CB 4.42Å; F904-A956 HydrophobicContact CE1-CB 3.55Å; F904-A956 HydrophobicContact CE2-CB 4.41Å; F904-A956 HydrophobicContact CZ-CB 3.54Å; A956-L958 VanDerWaalsContact C-N 3.28Å; A956-L958 PolarHBondContact O-N 3.5Å; A956-V959 PolarHBondContact O-N 2.93Å; A956-K960 PolarHBondContact O-N 2.74Å; A956-K960 VanDerWaalsContact O-N 3.17Å
957	Q	75.8	Confident	68.2	Low	3 Å²	3	60 Å²	60	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-39.8	179	-169.1	69	33.9	0	0	110.8	V858 E955 V959 K960 D961	V858-Q957 PolarHBondContact O-NE2 3.06Å; E955-Q957 PolarHBondContact O-N 2.68Å; Q957-V959 VanDerWaalsContact C-N 3.3Å; Q957-V959 PolarHBondContact O-N 3.15Å; Q957-K960 PolarHBondContact O-N 3.26Å; Q957-D961 PolarHBondContact NE2-OD1 3.02Å; Q957-D961 VanDerWaalsContact NE2-OD1 3.1Å; Q957-D961 WeakPolarHBondContact O-CB 3.49Å; Q957-D961 PolarHBondContact O-N 3.18Å
958	L	73.1	Confident	66.7	Low	46 Å²	46	65.4 Å²	65.4	24%	0.241	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-31	177.2	-69.2	179.4	0	0	0	112.9	L942 R952 E955 A956 R962	L942-L958 HydrophobicContact CD1-CD1 4.13Å; L942-L958 HydrophobicContact CD1-CD2 3.88Å; L942-L958 HydrophobicContact CD1-CG 4.28Å; R952-L958 HydrophobicContact CB-CD1 4.15Å; R952-L958 HydrophobicContact CG-CD1 4.37Å; E955-L958 HydrophobicContact CB-CD1 4.12Å; E955-L958 HydrophobicContact CB-CG 4.35Å; E955-L958 HydrophobicContact CG-CD1 4.42Å; E955-L958 HydrophobicContact CG-CG 4.29Å; E955-L958 PolarHBondContact O-N 3.28Å; E955-L958 VanDerWaalsContact OE2-CD1 3.27Å; E955-L958 WeakPolarHBondContact OE2-CD1 3.15Å; A956-L958 VanDerWaalsContact C-N 3.28Å; A956-L958 PolarHBondContact O-N 3.5Å; L958-R962 WeakPolarHBondContact O-CG 3.28Å; L958-R962 PolarHBondContact O-N 3.04Å
959	V	74.1	Confident	64.8	Low	20 Å²	20	65.2 Å²	65.2	12%	0.121	33%	0.33	C	S	.	.	H	α-helix	trans	-68.2	-41.9	175.6	178	0	0	0	0	110.6	D900 F904 E955 A956 Q957	D900-V959 HydrophobicContact CB-CG1 4.22Å; F904-V959 HydrophobicContact CD2-CG2 3.88Å; F904-V959 HydrophobicContact CE2-CG2 4.16Å; E955-V959 PolarHBondContact O-N 3.45Å; A956-V959 PolarHBondContact O-N 2.93Å; Q957-V959 VanDerWaalsContact C-N 3.3Å; Q957-V959 PolarHBondContact O-N 3.15Å
960	K	72.7	Confident	63.1	Low	11 Å²	11	64.1 Å²	64.1	5%	0.048	32%	0.322	C	S	.	.	H	α-helix	trans	-68.5	-44.5	175.2	179.3	176.3	-175.8	172.9	0	112.3	W856 V887 M897 A956 Q957 R962 H963	W856-K960 HydrophobicContact CD2-CD 4.21Å; W856-K960 HydrophobicContact CE3-CD 4.45Å; W856-K960 HydrophobicContact CH2-CB 3.36Å; W856-K960 HydrophobicContact CH2-CD 3.51Å; W856-K960 HydrophobicContact CH2-CG 4.02Å; W856-K960 HydrophobicContact CZ2-CB 3.64Å; W856-K960 HydrophobicContact CZ2-CD 3.17Å; W856-K960 HydrophobicContact CZ2-CG 4.01Å; W856-K960 HydrophobicContact CZ3-CB 4.31Å; W856-K960 HydrophobicContact CZ3-CD 4.12Å; V887-K960 PolarHBondContact O-NZ 3.38Å; M897-K960 HydrophobicContact SD-CG 4.49Å; A956-K960 PolarHBondContact O-N 2.74Å; A956-K960 VanDerWaalsContact O-N 3.17Å; Q957-K960 PolarHBondContact O-N 3.26Å; K960-R962 PolarHBondContact O-N 3.18Å; K960-H963 PolarHBondContact O-N 3.22Å
961	D	70.3	Confident	61.4	Low	11 Å²	11	68.1 Å²	68.1	6%	0.059	34%	0.336	C	S	.	.	H	α-helix	trans	-66.8	-20.6	-173.7	-69.5	-14.2	0	0	0	113.4	Q957 H963 S964 L965	Q957-D961 PolarHBondContact NE2-OD1 3.02Å; Q957-D961 VanDerWaalsContact NE2-OD1 3.1Å; Q957-D961 WeakPolarHBondContact O-CB 3.49Å; Q957-D961 PolarHBondContact O-N 3.18Å; D961-H963 PolarHBondContact O-N 3.4Å; D961-S964 WeakPolarHBondContact CA-OG 3.47Å; D961-S964 PolarHBondContact O-N 3.33Å; D961-S964 PolarHBondContact O-OG 3.14Å; D961-L965 PolarHBondContact O-N 3.22Å; D961-L965 VanDerWaalsContact O-N 3.09Å
962	R	68	Low	59.9	Low	144 Å²	144	75.6 Å²	75.6	54%	0.543	36%	0.363	S	S	.	.	H	α-helix	trans	-53.8	-40	172.9	-82.8	176.6	179.9	-167	-1.3	112.7	L958 K960 L965 V966	L958-R962 WeakPolarHBondContact O-CG 3.28Å; L958-R962 PolarHBondContact O-N 3.04Å; K960-R962 PolarHBondContact O-N 3.18Å; R962-L965 PolarHBondContact O-N 3.06Å; R962-V966 WeakPolarHBondContact O-CG2 3.47Å
963	H	59.9	Low	58	Low	46 Å²	46	72.6 Å²	72.6	21%	0.213	36%	0.364	C	S	.	.	H	α-helix	trans	-74.5	-29.8	-176.7	-71.2	-68.4	0	0	0	112.5	Q896 D900 K960 D961	Q896-H963 WeakPolarHBondContact CG-CE1 3.38Å; D900-H963 IonicContact OD2-CD2 2.98Å; D900-H963 IonicContact OD2-CE1 2.62Å; D900-H963 PolarHBondContact OD2-CE1 3.09Å; D900-H963 IonicContact OD2-NE2 2.74Å; D900-H963 PolarHBondContact OD2-NE2 2.65Å; K960-H963 PolarHBondContact O-N 3.22Å; D961-H963 PolarHBondContact O-N 3.4Å
964	S	57.3	Low	56.1	Low	26 Å²	26	74.5 Å²	74.5	18%	0.182	38%	0.377	C	S	.	.	H	α-helix	trans	-79.9	-24.5	173.9	48	0	0	0	0	114.8	R931 D961	R931-S964 PolarHBondContact NH2-OG 3.48Å; R931-S964 VanDerWaalsContact NH2-OG 3.08Å; D961-S964 WeakPolarHBondContact CA-OG 3.47Å; D961-S964 PolarHBondContact O-N 3.33Å; D961-S964 PolarHBondContact O-OG 3.14Å
965	L	51.3	Low	54.5	Low	86 Å²	86	77.7 Å²	77.7	45%	0.45	40%	0.397	S	S	.	.	H	α-helix	trans	-79.1	-26.5	-178.6	-83.3	166.3	0	0	0	113.7	M935 D961 R962 R967 M968	M935-L965 HydrophobicContact CE-CD1 3.86Å; M935-L965 HydrophobicContact CE-CD2 3.51Å; M935-L965 HydrophobicContact CE-CG 3.63Å; D961-L965 PolarHBondContact O-N 3.22Å; D961-L965 VanDerWaalsContact O-N 3.09Å; R962-L965 PolarHBondContact O-N 3.06Å; L965-R967 PolarHBondContact O-N 3.07Å; L965-R967 VanDerWaalsContact O-N 3.15Å; L965-M968 PolarHBondContact O-N 2.75Å
966	V	48.6	Very low	52.6	Low	108 Å²	108	86.6 Å²	86.6	66%	0.655	44%	0.438	S	S	*	.	H	α-helix	trans	-56.9	-28.4	175.3	173.7	0	0	0	0	111.2	R962 S970	R962-V966 WeakPolarHBondContact O-CG2 3.47Å; V966-S970 PolarHBondContact O-N 3.28Å
967	R	44.7	Very low	50.6	Low	141 Å²	141	96 Å²	96	53%	0.532	48%	0.482	S	S	.	.	H	α-helix	trans	-66.7	-40.1	173.9	-172.6	-179.5	179.4	167.6	7.4	114.6	D891 L965 G969 S970 L971	D891-R967 IonicContact OD2-NH1 3.85Å; L965-R967 PolarHBondContact O-N 3.07Å; L965-R967 VanDerWaalsContact O-N 3.15Å; R967-G969 VanDerWaalsContact C-N 3.31Å; R967-G969 PolarHBondContact O-N 2.93Å; R967-S970 PolarHBondContact O-N 3.21Å; R967-L971 HydrophobicContact CG-CD1 4.21Å; R967-L971 PolarHBondContact O-N 3.29Å
968	M	40.3	Very low	48.7	Very low	121 Å²	121	104 Å²	104	60%	0.596	53%	0.525	S	S	*	.	H	α-helix	trans	-70.8	-29.1	-178	-100.8	-166.5	-169.5	0	0	112.4	T932 L965 Y972	T932-M968 HydrophobicContact CG2-CE 4.49Å; L965-M968 PolarHBondContact O-N 2.75Å; M968-Y972 WeakPolarHBondContact O-CD2 3.39Å
969	G	36.7	Very low	46.6	Very low	51 Å²	51	108 Å²	108	53%	0.526	55%	0.551	S	S	.	*	H	α-helix	trans	-73.2	-35.8	175.2	0	0	0	0	0	113.1	R967 Y972	R967-G969 VanDerWaalsContact C-N 3.31Å; R967-G969 PolarHBondContact O-N 2.93Å; G969-Y972 PolarHBondContact O-N 3.38Å
970	S	35.4	Very low	44.4	Very low	67 Å²	67	116.1 Å²	116.1	47%	0.469	59%	0.59	S	S	.	*	H	α-helix	trans	-76.4	-25.6	-178.5	169.7	0	0	0	0	113.8	V966 R967 Y972 S973	V966-S970 PolarHBondContact O-N 3.28Å; R967-S970 PolarHBondContact O-N 3.21Å; S970-Y972 PolarHBondContact O-N 3.15Å; S970-S973 PolarHBondContact O-N 3.2Å; S970-S973 PolarHBondContact O-OG 3.4Å
971	L	37.8	Very low	42.3	Very low	131 Å²	131	123.9 Å²	123.9	69%	0.686	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-11.3	174.6	-86.9	156.4	0	0	0	114	R967	R967-L971 HydrophobicContact CG-CD1 4.21Å; R967-L971 PolarHBondContact O-N 3.29Å
972	Y	40.9	Very low	40.1	Very low	218 Å²	218	129.5 Å²	129.5	86%	0.855	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-1.4	176.5	-86.8	-84.9	0	0	0	113.2	M968 G969 S970	M968-Y972 WeakPolarHBondContact O-CD2 3.39Å; G969-Y972 PolarHBondContact O-N 3.38Å; S970-Y972 PolarHBondContact O-N 3.15Å
973	S	32.9	Very low	38.3	Very low	75 Å²	75	127.6 Å²	127.6	52%	0.524	67%	0.667	S	S	.	*	S	Bend	trans	-106	-6.2	-173.7	64.8	0	0	0	0	115.7	S970	S970-S973 PolarHBondContact O-N 3.2Å; S970-S973 PolarHBondContact O-OG 3.4Å
974	D	33.8	Very low	36.8	Very low	135 Å²	135	130.8 Å²	130.8	72%	0.722	69%	0.692	S	S	*	*			trans	-111	103.7	-177.6	-68.2	2.5	0	0	0	109.3
975	E	39.2	Very low	35.4	Very low	188 Å²	188	138.1 Å²	138.1	88%	0.879	72%	0.724	S	S	*	*			trans	-64.6	136.5	169.6	-65.8	-175.9	154.8	0	0	110.6
976	E	38.6	Very low	34.6	Very low	189 Å²	189	144 Å²	144	88%	0.883	75%	0.745	S	S	*	*			trans	30.8	105.6	151.6	-60.6	-176.6	168.8	0	0	119.4
977	E	31.3	Very low	34.3	Very low	198 Å²	198	142.4 Å²	142.4	93%	0.925	74%	0.736	S	S	*	*			trans	-148.3	116.5	138.2	-110.8	179.4	-167.7	0	0	110.1	V979	E977-V979 PolarHBondContact O-N 3.38Å
978	D	34.7	Very low	34.2	Very low	173 Å²	173	140.8 Å²	140.8	93%	0.925	73%	0.734	S	S	*	*			trans	-66.7	110.7	178.4	-90.9	-40.9	0	0	0	111.7
979	V	29.6	Very low	34.8	Very low	128 Å²	128	136.7 Å²	136.7	78%	0.776	71%	0.714	S	S	*	*			trans	-135.2	113.2	151.2	-176.7	0	0	0	0	108.6	E977 E981	E977-V979 PolarHBondContact O-N 3.38Å; V979-E981 PolarHBondContact O-N 3.4Å
980	M	28.4	Very low	35.7	Very low	192 Å²	192	136 Å²	136	95%	0.946	70%	0.699	S	S	*	*			trans	-76.4	81.7	-179.6	-160.8	163	80.8	0	0	110.5
981	E	28	Very low	36.6	Very low	173 Å²	173	134.7 Å²	134.7	81%	0.808	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-88.1	125	158.2	-84.3	-166.1	157.2	0	0	109.7	V979 P983	V979-E981 PolarHBondContact O-N 3.4Å; E981-P983 WeakPolarHBondContact O-CD 3.23Å
982	V	25.6	Very low	37.2	Very low	129 Å²	129	129.2 Å²	129.2	78%	0.782	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-56	118.7	173.5	178.6	0	0	0	0	108.3
983	P	28.6	Very low	37.5	Very low	104 Å²	104	125.5 Å²	125.5	68%	0.675	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-65.2	133.1	176.8	25.8	-30.3	0	0	0	107.9	E981 E985	E981-P983 WeakPolarHBondContact O-CD 3.23Å; P983-E985 PolarHBondContact O-N 3.01Å
984	P	29.1	Very low	38.2	Very low	114 Å²	114	126.9 Å²	126.9	74%	0.74	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-57.3	134.7	173.5	24	-31.5	0	0	0	108.1	K986	P984-K986 PolarHBondContact O-N 3.16Å
985	E	27.4	Very low	38.7	Very low	180 Å²	180	126 Å²	126	84%	0.841	63%	0.632	S	S	*	*			trans	-42.3	105.6	174.9	-92.4	-175.6	136.2	0	0	110	P983 V987	P983-E985 PolarHBondContact O-N 3.01Å; E985-V987 VanDerWaalsContact C-N 3.25Å; E985-V987 PolarHBondContact O-N 3.45Å
986	K	34.2	Very low	38.8	Very low	208 Å²	208	120.2 Å²	120.2	90%	0.904	61%	0.612	S	S	*	*			trans	-68.9	91.1	170	-85	-179.6	177.3	172.4	0	107.5	P984 H988	P984-K986 PolarHBondContact O-N 3.16Å; K986-H988 PolarHBondContact O-N 3.42Å; K986-H988 VanDerWaalsContact O-N 3.14Å
987	V	43	Very low	38.9	Very low	75 Å²	75	117 Å²	117	46%	0.455	60%	0.597	S	S	.	*			trans	-57.3	115.7	177.5	-178.8	0	0	0	0	109.4	E985 M989	E985-V987 VanDerWaalsContact C-N 3.25Å; E985-V987 PolarHBondContact O-N 3.45Å; V987-M989 HydrophobicContact CG1-SD 4.43Å; V987-M989 PolarHBondContact O-N 3.36Å
988	H	42	Very low	39.5	Very low	107 Å²	107	110.4 Å²	110.4	50%	0.495	58%	0.576	S	S	.	*			trans	-72.3	116.3	175.8	-165	70.8	0	0	0	110.1	K986 T990	K986-H988 PolarHBondContact O-N 3.42Å; K986-H988 VanDerWaalsContact O-N 3.14Å; H988-T990 VanDerWaalsContact CD2-CG2 3.44Å; H988-T990 WeakPolarHBondContact CD2-CG2 3.42Å
989	M	52.9	Low	40	Very low	36 Å²	36	107.8 Å²	107.8	18%	0.177	56%	0.558	C	S	.	*			trans	-89.9	108.5	-177.2	-64.7	-67.8	-76	0	0	110.5	V987 R1024 R1025	V987-M989 HydrophobicContact CG1-SD 4.43Å; V987-M989 PolarHBondContact O-N 3.36Å; M989-R1024 HydrophobicContact CE-CB 3.93Å; M989-R1025 HydrophobicContact CE-CG 3.68Å; M989-R1025 PolarHBondContact O-NH2 3.38Å
990	T	56.3	Low	40.7	Very low	35 Å²	35	109.9 Å²	109.9	22%	0.215	55%	0.552	C	S	.	*			trans	-110.1	156.4	179.2	57.3	0	0	0	0	112.2	H988 T992 R1025	H988-T990 VanDerWaalsContact CD2-CG2 3.44Å; H988-T990 WeakPolarHBondContact CD2-CG2 3.42Å; T990-T992 PolarHBondContact OG1-O 3.22Å; T990-R1025 PolarHBondContact O-NH1 2.98Å
991	W	54	Low	41.5	Very low	40 Å²	40	111.1 Å²	111.1	15%	0.152	55%	0.546	C	S	.	.	S	Bend	trans	-85.4	-8.3	174.5	-72.5	97.8	0	0	0	113.5	P1054 Y1063	W991-P1054 HydrophobicContact CB-CB 3.56Å; W991-P1054 HydrophobicContact CB-CG 4.5Å; W991-P1054 HydrophobicContact CD2-CB 3.9Å; W991-P1054 HydrophobicContact CD2-CG 4.38Å; W991-P1054 HydrophobicContact CE3-CB 4.45Å; W991-P1054 HydrophobicContact CE3-CG 4.48Å; W991-P1054 HydrophobicContact CG-CB 3.51Å; W991-P1054 HydrophobicContact CG-CG 4.43Å; W991-Y1063 AromaticContact CH2-CD2 3.88Å; W991-Y1063 HydrophobicContact CH2-CD2 3.88Å; W991-Y1063 HydrophobicContact CZ2-CD2 4.41Å; W991-Y1063 HydrophobicContact CZ3-CD2 4.21Å
992	T	51.5	Low	42.4	Very low	16 Å²	16	110.3 Å²	110.3	10%	0.098	55%	0.548	C	S	.	.	S	Bend	trans	-119.9	159.6	-171.4	52.7	0	0	0	0	113	T990 E994 N1056	T990-T992 PolarHBondContact OG1-O 3.22Å; T992-E994 PolarHBondContact O-N 2.74Å; T992-N1056 HydrophobicContact CG2-CB 3.43Å; T992-N1056 VanDerWaalsContact CG2-CB 3.43Å
993	K	47.4	Very low	43.4	Very low	140 Å²	140	113 Å²	113	61%	0.609	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-3.9	-179.5	-65.7	179.2	177.2	177.3	0	114.8	K995 C996	K993-K995 VanDerWaalsContact C-N 3.35Å; K993-K995 PolarHBondContact O-N 3.04Å; K993-C996 PolarHBondContact O-N 3.47Å; K993-C996 VanDerWaalsContact O-N 3.11Å
994	E	46.4	Very low	44.1	Very low	105 Å²	105	113.8 Å²	113.8	49%	0.491	54%	0.542	S	S	.	.	H	α-helix	trans	-62.8	-30.6	-163.1	-72.8	167.5	-147.2	0	0	114.9	T992 C996 E997 A998 N1056	T992-E994 PolarHBondContact O-N 2.74Å; E994-C996 VanDerWaalsContact C-N 3.32Å; E994-C996 PolarHBondContact O-N 3.15Å; E994-E997 PolarHBondContact O-N 3.16Å; E994-A998 PolarHBondContact O-N 3.38Å; E994-N1056 PolarHBondContact OE1-ND2 2.91Å
995	K	44.2	Very low	44.9	Very low	116 Å²	116	116.5 Å²	116.5	50%	0.504	55%	0.551	S	S	.	*	H	α-helix	trans	-70	-30.8	178.8	-149.5	-176.5	-179.2	-165.6	0	112.5	K993 E999	K993-K995 VanDerWaalsContact C-N 3.35Å; K993-K995 PolarHBondContact O-N 3.04Å; K995-E999 PolarHBondContact O-N 2.9Å
996	C	42.3	Very low	45.7	Very low	66 Å²	66	111.9 Å²	111.9	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-73.7	-31.5	178.3	-155.4	0	0	0	0	111.8	K993 E994 R1000	K993-C996 PolarHBondContact O-N 3.47Å; K993-C996 VanDerWaalsContact O-N 3.11Å; E994-C996 VanDerWaalsContact C-N 3.32Å; E994-C996 PolarHBondContact O-N 3.15Å; C996-R1000 WeakPolarHBondContact O-CB 2.93Å; C996-R1000 PolarHBondContact O-N 2.67Å
997	E	38.9	Very low	46.1	Very low	122 Å²	122	108.1 Å²	108.1	57%	0.57	54%	0.54	S	S	*	.	H	α-helix	trans	-79.6	-34.1	176.9	-68.1	-177.9	175.9	0	0	112.9	E994 R1000 R1001	E994-E997 PolarHBondContact O-N 3.16Å; E997-R1000 PolarHBondContact O-N 2.83Å; E997-R1001 PolarHBondContact O-N 2.99Å
998	A	44.1	Very low	46	Very low	59 Å²	59	113.8 Å²	113.8	49%	0.488	56%	0.562	S	S	.	*	H	α-helix	trans	-66.6	-39.6	173	0	0	0	0	0	112.1	E994 R1001 N1002	E994-A998 PolarHBondContact O-N 3.38Å; A998-R1001 PolarHBondContact O-N 3.36Å; A998-N1002 PolarHBondContact O-N 3.23Å
999	E	45	Very low	45.7	Very low	118 Å²	118	115.6 Å²	115.6	55%	0.551	58%	0.575	S	S	*	*	H	α-helix	trans	-70.7	-35.2	173.7	-76.6	174.9	-172.8	0	0	112.4	K995 N1002 R1003	K995-E999 PolarHBondContact O-N 2.9Å; E999-N1002 PolarHBondContact O-N 2.77Å; E999-R1003 PolarHBondContact O-N 3.25Å
1000	R	44.5	Very low	45.1	Very low	172 Å²	172	124 Å²	124	65%	0.649	61%	0.611	S	S	*	*	H	α-helix	trans	-64.5	-40.5	171	-100.5	178.8	164.5	172.8	-3.8	112.7	C996 E997 N1002 R1003 N1004	C996-R1000 WeakPolarHBondContact O-CB 2.93Å; C996-R1000 PolarHBondContact O-N 2.67Å; E997-R1000 PolarHBondContact O-N 2.83Å; R1000-N1002 VanDerWaalsContact C-N 3.27Å; R1000-N1002 PolarHBondContact O-N 3.49Å; R1000-R1003 PolarHBondContact O-N 3.39Å; R1000-R1003 VanDerWaalsContact O-N 3.14Å; R1000-N1004 VanDerWaalsContact O-CG 3.3Å; R1000-N1004 PolarHBondContact O-N 3.28Å; R1000-N1004 PolarHBondContact O-OD1 2.91Å
1001	R	45.7	Very low	44.5	Very low	218 Å²	218	133.2 Å²	133.2	82%	0.823	64%	0.642	S	S	*	*	H	α-helix	trans	-62.8	-33.3	175.1	-93.8	-179.1	171.6	170	-0.8	112.7	E997 A998 R1003	E997-R1001 PolarHBondContact O-N 2.99Å; A998-R1001 PolarHBondContact O-N 3.36Å; R1001-R1003 VanDerWaalsContact C-N 3.35Å
1002	N	46.5	Very low	44	Very low	157 Å²	157	137 Å²	137	84%	0.84	66%	0.661	S	S	*	*	H	α-helix	trans	-77.5	-14.8	175.6	-100	0.3	0	0	0	114.2	A998 E999 R1000	A998-N1002 PolarHBondContact O-N 3.23Å; E999-N1002 PolarHBondContact O-N 2.77Å; R1000-N1002 VanDerWaalsContact C-N 3.27Å; R1000-N1002 PolarHBondContact O-N 3.49Å
1003	R	48.3	Very low	43.6	Very low	184 Å²	184	143.8 Å²	143.8	69%	0.694	70%	0.696	S	S	*	*	H	α-helix	trans	-97.9	-1.2	178.7	-108.5	179.8	81.2	-166	-2.3	114.9	E999 R1000 R1001 N1005 E1012	E999-R1003 PolarHBondContact O-N 3.25Å; R1000-R1003 PolarHBondContact O-N 3.39Å; R1000-R1003 VanDerWaalsContact O-N 3.14Å; R1001-R1003 VanDerWaalsContact C-N 3.35Å; R1003-N1005 PolarHBondContact O-N 3.18Å; R1003-N1005 VanDerWaalsContact O-N 3.13Å; R1003-E1012 IonicContact CZ-OE1 3.71Å; R1003-E1012 IonicContact NH2-OE1 3.86Å; R1003-E1012 PolarHBondContact NH2-OE1 3.25Å
1004	N	42	Very low	43	Very low	121 Å²	121	145.8 Å²	145.8	65%	0.647	71%	0.71	S	S	*	*			trans	-89.7	54.5	-173.3	-77.2	-1.4	0	0	0	114.3	R1000	R1000-N1004 VanDerWaalsContact O-CG 3.3Å; R1000-N1004 PolarHBondContact O-N 3.28Å; R1000-N1004 PolarHBondContact O-OD1 2.91Å
1005	N	45.4	Very low	42.6	Very low	172 Å²	172	144.5 Å²	144.5	92%	0.92	71%	0.712	S	S	*	*	S	Bend	trans	-128.5	36.1	167.5	-91.5	-8	0	0	0	113.1	R1003	R1003-N1005 PolarHBondContact O-N 3.18Å; R1003-N1005 VanDerWaalsContact O-N 3.13Å
1006	A	44.1	Very low	42.3	Very low	82 Å²	82	146.7 Å²	146.7	68%	0.678	73%	0.728	S	S	*	*	S	Bend	trans	-155.4	147.1	166.9	0	0	0	0	0	111.4
1007	P	43.1	Very low	42.1	Very low	130 Å²	130	151.9 Å²	151.9	84%	0.844	74%	0.743	S	S	*	*			trans	-77.4	153	-171.6	31.8	-32.9	0	0	0	113.1
1008	E	42	Very low	42.2	Very low	194 Å²	194	150.8 Å²	150.8	91%	0.907	75%	0.747	S	S	*	*			trans	-66.5	136.8	-167.9	-59.7	-172.5	154.7	0	0	114.3
1009	N	35.8	Very low	42.5	Very low	144 Å²	144	150.9 Å²	150.9	77%	0.77	74%	0.739	S	S	*	*			trans	-112.6	133	165.1	-102.8	-25.1	0	0	0	109.4	R1011 E1012	N1009-R1011 PolarHBondContact O-N 3.43Å; N1009-E1012 PolarHBondContact O-N 3.1Å
1010	F	40.3	Very low	42.9	Very low	214 Å²	214	151.7 Å²	151.7	94%	0.939	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	5.7	-175.2	-154.5	-100.5	0	0	0	116.3
1011	R	42.7	Very low	43.3	Very low	228 Å²	228	145 Å²	145	86%	0.86	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-14.4	-175.4	-148.6	172.6	-175.2	171.3	0.8	113.7	N1009	N1009-R1011 PolarHBondContact O-N 3.43Å
1012	E	43.2	Very low	43.9	Very low	120 Å²	120	135.7 Å²	135.7	56%	0.561	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-81.6	-12.5	179.6	-80.6	-169.4	156.1	0	0	114.4	R1003 N1009 M1014 S1015	R1003-E1012 IonicContact CZ-OE1 3.71Å; R1003-E1012 IonicContact NH2-OE1 3.86Å; R1003-E1012 PolarHBondContact NH2-OE1 3.25Å; N1009-E1012 PolarHBondContact O-N 3.1Å; E1012-M1014 PolarHBondContact O-N 2.85Å; E1012-S1015 PolarHBondContact O-N 3.06Å
1013	L	42.6	Very low	44.6	Very low	157 Å²	157	131.8 Å²	131.8	82%	0.822	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-72.2	-17.2	178	-130.6	98.1	0	0	0	113.6
1014	M	35.9	Very low	45.3	Very low	183 Å²	183	128.6 Å²	128.6	90%	0.901	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-98.6	6	-179.3	-76.9	-77.5	-84.1	0	0	113.4	E1012	E1012-M1014 PolarHBondContact O-N 2.85Å
1015	S	37.7	Very low	46.4	Very low	77 Å²	77	123.4 Å²	123.4	54%	0.538	63%	0.63	S	S	.	*			trans	-129.1	56.5	177.3	63.4	0	0	0	0	112.9	E1012 K1017	E1012-S1015 PolarHBondContact O-N 3.06Å; S1015-K1017 VanDerWaalsContact C-N 3.3Å; S1015-K1017 PolarHBondContact O-N 3.01Å
1016	L	37.4	Very low	47.5	Very low	162 Å²	162	118.9 Å²	118.9	85%	0.848	61%	0.605	S	S	*	*			trans	-70.3	88.2	158.1	-87	151.4	0	0	0	108.8
1017	K	37.9	Very low	48.9	Very low	175 Å²	175	120 Å²	120	76%	0.761	60%	0.595	S	S	*	*			trans	-74.6	133.2	165.7	-79.8	-176.3	176.2	177.9	0	109.1	S1015	S1015-K1017 VanDerWaalsContact C-N 3.3Å; S1015-K1017 PolarHBondContact O-N 3.01Å
1018	P	41.8	Very low	50.5	Low	100 Å²	100	114.2 Å²	114.2	65%	0.649	56%	0.558	S	S	*	*			trans	-65.2	146.3	174.1	25.4	-31.6	0	0	0	111.6	Q1020 V1023	P1018-Q1020 PolarHBondContact O-N 3.26Å; P1018-V1023 HydrophobicContact CB-CG2 4Å; P1018-V1023 HydrophobicContact CG-CG2 4.38Å
1019	D	51	Low	52.3	Low	60 Å²	60	105 Å²	105	32%	0.321	51%	0.514	S	S	.	.			trans	-51.8	114.6	-175.8	-72.6	-26.1	0	0	0	113	S1021 N1022 V1023	D1019-S1021 VanDerWaalsContact C-N 3.27Å; D1019-S1021 PolarHBondContact O-N 3.44Å; D1019-N1022 HydrophobicContact CB-CB 4.05Å; D1019-N1022 PolarHBondContact O-N 3.29Å; D1019-N1022 PolarHBondContact OD2-ND2 3.12Å; D1019-V1023 WeakPolarHBondContact O-CB 3.47Å; D1019-V1023 WeakPolarHBondContact O-CG2 3.22Å; D1019-V1023 PolarHBondContact O-N 2.85Å
1020	Q	52.1	Low	54.6	Low	136 Å²	136	100.9 Å²	100.9	64%	0.636	49%	0.494	S	S	*	.	H	α-helix	trans	-60	-30.2	-177.4	-74.1	-174.5	-5	0	0	114.1	P1018 R1024	P1018-Q1020 PolarHBondContact O-N 3.26Å; Q1020-R1024 VanDerWaalsContact O-CB 3.3Å; Q1020-R1024 WeakPolarHBondContact O-CB 3.25Å; Q1020-R1024 WeakPolarHBondContact O-CD 3.43Å; Q1020-R1024 WeakPolarHBondContact O-CG 3.42Å; Q1020-R1024 PolarHBondContact O-N 2.6Å; Q1020-R1024 VanDerWaalsContact O-N 3.1Å
1021	S	53.3	Low	56.8	Low	31 Å²	31	94 Å²	94	22%	0.217	46%	0.464	C	S	.	.	H	α-helix	trans	-77.6	-41.4	-179.6	54.7	0	0	0	0	113.2	D1019 R1024 R1025	D1019-S1021 VanDerWaalsContact C-N 3.27Å; D1019-S1021 PolarHBondContact O-N 3.44Å; S1021-R1024 PolarHBondContact O-N 3.21Å; S1021-R1025 PolarHBondContact O-N 3.05Å
1022	N	59.2	Low	58.9	Low	22 Å²	22	83.2 Å²	83.2	12%	0.118	42%	0.424	C	S	.	.	H	α-helix	trans	-68.8	-44	174.7	-73.9	-32.2	0	0	0	110.7	D1019 R1024 R1025 M1026 N1062	D1019-N1022 HydrophobicContact CB-CB 4.05Å; D1019-N1022 PolarHBondContact O-N 3.29Å; D1019-N1022 PolarHBondContact OD2-ND2 3.12Å; N1022-R1024 VanDerWaalsContact C-N 3.29Å; N1022-R1024 PolarHBondContact O-N 3.49Å; N1022-R1025 PolarHBondContact O-N 3.07Å; N1022-R1025 VanDerWaalsContact O-N 3.15Å; N1022-M1026 WeakPolarHBondContact O-CG 3.47Å; N1022-M1026 PolarHBondContact O-N 3.47Å; N1022-N1062 PolarHBondContact OD1-ND2 3.17Å
1023	V	61.2	Low	61.2	Low	75 Å²	75	78.3 Å²	78.3	46%	0.455	40%	0.401	S	S	.	.	H	α-helix	trans	-59	-41.7	175.3	174.6	0	0	0	0	110.8	P1018 D1019 R1025 M1026 H1027	P1018-V1023 HydrophobicContact CB-CG2 4Å; P1018-V1023 HydrophobicContact CG-CG2 4.38Å; D1019-V1023 WeakPolarHBondContact O-CB 3.47Å; D1019-V1023 WeakPolarHBondContact O-CG2 3.22Å; D1019-V1023 PolarHBondContact O-N 2.85Å; V1023-R1025 PolarHBondContact O-N 2.79Å; V1023-M1026 PolarHBondContact O-N 2.64Å; V1023-H1027 VanDerWaalsContact O-CB 3.29Å; V1023-H1027 WeakPolarHBondContact O-CB 3.41Å; V1023-H1027 PolarHBondContact O-N 2.83Å
1024	R	62.1	Low	63.4	Low	117 Å²	117	76.7 Å²	76.7	44%	0.442	39%	0.389	S	S	.	.	H	α-helix	trans	-63.3	-38.9	176.1	-80	173.2	-173.2	-170.5	4.2	112.8	M989 Q1020 S1021 N1022 H1027 T1028	M989-R1024 HydrophobicContact CE-CB 3.93Å; Q1020-R1024 VanDerWaalsContact O-CB 3.3Å; Q1020-R1024 WeakPolarHBondContact O-CB 3.25Å; Q1020-R1024 WeakPolarHBondContact O-CD 3.43Å; Q1020-R1024 WeakPolarHBondContact O-CG 3.42Å; Q1020-R1024 PolarHBondContact O-N 2.6Å; Q1020-R1024 VanDerWaalsContact O-N 3.1Å; S1021-R1024 PolarHBondContact O-N 3.21Å; N1022-R1024 VanDerWaalsContact C-N 3.29Å; N1022-R1024 PolarHBondContact O-N 3.49Å; R1024-H1027 WeakPolarHBondContact O-CB 3.41Å; R1024-H1027 PolarHBondContact O-N 3.08Å; R1024-T1028 PolarHBondContact O-N 3.38Å; R1024-T1028 PolarHBondContact O-OG1 3.14Å
1025	R	64.8	Low	66.1	Low	12 Å²	12	70.3 Å²	70.3	5%	0.045	36%	0.361	C	S	.	.	H	α-helix	trans	-72.2	-35.5	176.9	-73.7	-176.2	172	177.2	-2.4	113.6	M989 T990 S1021 N1022 V1023 H1027 T1028 A1029	M989-R1025 HydrophobicContact CE-CG 3.68Å; M989-R1025 PolarHBondContact O-NH2 3.38Å; T990-R1025 PolarHBondContact O-NH1 2.98Å; S1021-R1025 PolarHBondContact O-N 3.05Å; N1022-R1025 PolarHBondContact O-N 3.07Å; N1022-R1025 VanDerWaalsContact O-N 3.15Å; V1023-R1025 PolarHBondContact O-N 2.79Å; R1025-H1027 VanDerWaalsContact C-N 3.34Å; R1025-T1028 WeakPolarHBondContact O-CB 3.38Å; R1025-T1028 PolarHBondContact O-N 3.3Å; R1025-A1029 PolarHBondContact O-N 3.14Å
1026	M	69	Low	68.7	Low	78 Å²	78	66.6 Å²	66.6	38%	0.384	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-42.1	171	-65.1	-162.1	94	0	0	110.4	N1022 V1023 T1028 A1029 V1030 E1065 V1069	N1022-M1026 WeakPolarHBondContact O-CG 3.47Å; N1022-M1026 PolarHBondContact O-N 3.47Å; V1023-M1026 PolarHBondContact O-N 2.64Å; M1026-T1028 VanDerWaalsContact C-N 3.29Å; M1026-T1028 PolarHBondContact O-N 3.01Å; M1026-A1029 WeakPolarHBondContact O-CB 3.4Å; M1026-A1029 PolarHBondContact O-N 2.82Å; M1026-A1029 VanDerWaalsContact O-N 3.12Å; M1026-V1030 VanDerWaalsContact O-CG2 3.31Å; M1026-V1030 WeakPolarHBondContact O-CG2 3.37Å; M1026-V1030 PolarHBondContact O-N 3.25Å; M1026-E1065 HydrophobicContact CE-CB 3.86Å; M1026-V1069 HydrophobicContact CE-CG2 4.21Å
1027	H	74.1	Confident	71.3	Confident	105 Å²	105	60.7 Å²	60.7	49%	0.486	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-37	174.3	-168.9	-90.5	0	0	0	112.5	V1023 R1024 R1025 K1031	V1023-H1027 VanDerWaalsContact O-CB 3.29Å; V1023-H1027 WeakPolarHBondContact O-CB 3.41Å; V1023-H1027 PolarHBondContact O-N 2.83Å; R1024-H1027 WeakPolarHBondContact O-CB 3.41Å; R1024-H1027 PolarHBondContact O-N 3.08Å; R1025-H1027 VanDerWaalsContact C-N 3.34Å; H1027-K1031 VanDerWaalsContact CE1-CE 3.48Å; H1027-K1031 WeakPolarHBondContact CE1-CE 3.45Å; H1027-K1031 PolarHBondContact O-N 3.42Å; H1027-K1031 VanDerWaalsContact O-N 3.08Å
1028	T	76.4	Confident	74	Confident	8 Å²	8	58.2 Å²	58.2	5%	0.049	30%	0.301	C	S	.	.	H	α-helix	trans	-60.5	-48.6	170.3	-61.4	0	0	0	0	112	S922 D923 R1024 R1025 M1026 V1030 K1031 L1032	S922-T1028 PolarHBondContact O-OG1 2.71Å; D923-T1028 WeakPolarHBondContact O-CG2 3.37Å; R1024-T1028 PolarHBondContact O-N 3.38Å; R1024-T1028 PolarHBondContact O-OG1 3.14Å; R1025-T1028 WeakPolarHBondContact O-CB 3.38Å; R1025-T1028 PolarHBondContact O-N 3.3Å; M1026-T1028 VanDerWaalsContact C-N 3.29Å; M1026-T1028 PolarHBondContact O-N 3.01Å; T1028-V1030 VanDerWaalsContact C-N 3.35Å; T1028-V1030 PolarHBondContact O-N 3.46Å; T1028-K1031 PolarHBondContact O-N 3.16Å; T1028-L1032 WeakPolarHBondContact O-CB 3.49Å; T1028-L1032 PolarHBondContact O-N 3.31Å
1029	A	79.5	Confident	76.4	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-41.5	178.5	0	0	0	0	0	112.3	R1025 M1026 L1032 N1033 F1066 V1069	R1025-A1029 PolarHBondContact O-N 3.14Å; M1026-A1029 WeakPolarHBondContact O-CB 3.4Å; M1026-A1029 PolarHBondContact O-N 2.82Å; M1026-A1029 VanDerWaalsContact O-N 3.12Å; A1029-L1032 PolarHBondContact O-N 3.29Å; A1029-N1033 VanDerWaalsContact O-CB 3.27Å; A1029-N1033 WeakPolarHBondContact O-CB 3.43Å; A1029-N1033 PolarHBondContact O-N 3.15Å; A1029-F1066 HydrophobicContact CB-CD2 3.67Å; A1029-F1066 HydrophobicContact CB-CE2 3.6Å; A1029-F1066 HydrophobicContact CB-CG 4.33Å; A1029-F1066 HydrophobicContact CB-CZ 4.19Å; A1029-V1069 HydrophobicContact CB-CB 4.31Å; A1029-V1069 HydrophobicContact CB-CG1 3.9Å
1030	V	85.4	Confident	78.4	Confident	58 Å²	58	56.1 Å²	56.1	35%	0.352	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-52.6	178	172	0	0	0	0	110.6	M1026 T1028 L1032 N1033 E1034 V1069	M1026-V1030 VanDerWaalsContact O-CG2 3.31Å; M1026-V1030 WeakPolarHBondContact O-CG2 3.37Å; M1026-V1030 PolarHBondContact O-N 3.25Å; T1028-V1030 VanDerWaalsContact C-N 3.35Å; T1028-V1030 PolarHBondContact O-N 3.46Å; V1030-L1032 VanDerWaalsContact C-N 3.33Å; V1030-L1032 PolarHBondContact O-N 3.19Å; V1030-N1033 PolarHBondContact O-N 3.14Å; V1030-E1034 HydrophobicContact CG1-CG 4.44Å; V1030-E1034 WeakPolarHBondContact CG1-OE1 3.14Å; V1030-E1034 WeakPolarHBondContact O-CG 3.39Å; V1030-E1034 PolarHBondContact O-N 3.44Å; V1030-V1069 HydrophobicContact CB-CG1 4.47Å; V1030-V1069 HydrophobicContact CG2-CG1 3.59Å
1031	K	85.7	Confident	80.2	Confident	70 Å²	70	54.4 Å²	54.4	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-58.9	-44	178.1	-79.9	179.1	156.7	-170.1	0	112.8	D923 H1027 T1028 N1033 E1034 V1035	D923-K1031 HydrophobicContact CB-CD 4.49Å; D923-K1031 VanDerWaalsContact CG-NZ 3.31Å; D923-K1031 WeakPolarHBondContact OD1-CD 3.35Å; D923-K1031 IonicContact OD1-NZ 2.67Å; D923-K1031 PolarHBondContact OD1-NZ 2.96Å; D923-K1031 WeakPolarHBondContact OD2-CD 3.44Å; D923-K1031 IonicContact OD2-NZ 3.65Å; D923-K1031 PolarHBondContact OD2-NZ 3.33Å; H1027-K1031 VanDerWaalsContact CE1-CE 3.48Å; H1027-K1031 WeakPolarHBondContact CE1-CE 3.45Å; H1027-K1031 PolarHBondContact O-N 3.42Å; H1027-K1031 VanDerWaalsContact O-N 3.08Å; T1028-K1031 PolarHBondContact O-N 3.16Å; K1031-N1033 VanDerWaalsContact C-N 3.32Å; K1031-E1034 PolarHBondContact O-N 2.76Å; K1031-V1035 WeakPolarHBondContact O-CG2 3.35Å; K1031-V1035 PolarHBondContact O-N 3.02Å
1032	L	86.3	Confident	82	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-42.2	178.6	-176.5	60.5	0	0	0	110.5	I857 M919 Y927 T1028 A1029 V1030 V1035 I1036 L1070	I857-L1032 HydrophobicContact CD1-CD2 4.08Å; M919-L1032 HydrophobicContact CE-CD1 3.76Å; M919-L1032 HydrophobicContact SD-CD1 3.68Å; Y927-L1032 HydrophobicContact CE2-CD2 4.01Å; T1028-L1032 WeakPolarHBondContact O-CB 3.49Å; T1028-L1032 PolarHBondContact O-N 3.31Å; A1029-L1032 PolarHBondContact O-N 3.29Å; V1030-L1032 VanDerWaalsContact C-N 3.33Å; V1030-L1032 PolarHBondContact O-N 3.19Å; L1032-V1035 PolarHBondContact O-N 3.42Å; L1032-I1036 HydrophobicContact CD1-CD1 4.35Å; L1032-I1036 HydrophobicContact CG-CD1 3.99Å; L1032-I1036 VanDerWaalsContact O-CG1 3.25Å; L1032-I1036 WeakPolarHBondContact O-CG1 3.46Å; L1032-I1036 PolarHBondContact O-N 3.21Å; L1032-L1070 HydrophobicContact CB-CD1 4.2Å; L1032-L1070 HydrophobicContact CD2-CD1 3.55Å; L1032-L1070 HydrophobicContact CG-CD1 3.78Å
1033	N	91.1	Very high	83.6	Confident	18 Å²	18	58.3 Å²	58.3	10%	0.096	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-44.3	176.8	-170.3	42	0	0	0	112.4	A1029 V1030 K1031 V1035 I1036 V1037 V1069 L1070 E1072	A1029-N1033 VanDerWaalsContact O-CB 3.27Å; A1029-N1033 WeakPolarHBondContact O-CB 3.43Å; A1029-N1033 PolarHBondContact O-N 3.15Å; V1030-N1033 PolarHBondContact O-N 3.14Å; K1031-N1033 VanDerWaalsContact C-N 3.32Å; N1033-V1035 PolarHBondContact O-N 3.27Å; N1033-I1036 PolarHBondContact O-N 3.13Å; N1033-V1037 WeakPolarHBondContact O-CB 3.26Å; N1033-V1037 WeakPolarHBondContact O-CG2 3.48Å; N1033-V1037 PolarHBondContact O-N 3.18Å; N1033-V1037 WeakPolarHBondContact OD1-CG2 3.32Å; N1033-V1069 WeakPolarHBondContact CB-O 3.47Å; N1033-V1069 VanDerWaalsContact CG-O 3.22Å; N1033-V1069 PolarHBondContact ND2-O 3.11Å; N1033-V1069 VanDerWaalsContact ND2-O 3.12Å; N1033-L1070 PolarHBondContact OD1-O 3.43Å; N1033-E1072 PolarHBondContact ND2-O 3.35Å; N1033-E1072 PolarHBondContact OD1-O 2.86Å
1034	E	90.1	Very high	85.1	Confident	122 Å²	122	59.1 Å²	59.1	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-53.1	-42.9	176.8	-77.3	174.6	-174.5	0	0	111.4	V1030 K1031 N1038	V1030-E1034 HydrophobicContact CG1-CG 4.44Å; V1030-E1034 WeakPolarHBondContact CG1-OE1 3.14Å; V1030-E1034 WeakPolarHBondContact O-CG 3.39Å; V1030-E1034 PolarHBondContact O-N 3.44Å; K1031-E1034 PolarHBondContact O-N 2.76Å; E1034-N1038 WeakPolarHBondContact O-CB 3.47Å; E1034-N1038 PolarHBondContact O-N 3.25Å
1035	V	91.1	Very high	86.7	Confident	49 Å²	49	53.6 Å²	53.6	30%	0.297	26%	0.26	S	S	.	.	H	α-helix	trans	-70.1	-41.2	177.8	176.5	0	0	0	0	112	W855 V917 M919 K1031 L1032 N1033 R1039	W855-V1035 HydrophobicContact CH2-CG1 3.95Å; W855-V1035 HydrophobicContact CZ3-CG1 4.38Å; V917-V1035 HydrophobicContact CG1-CG1 4Å; M919-V1035 HydrophobicContact CE-CB 3.62Å; M919-V1035 HydrophobicContact CE-CG1 3.56Å; M919-V1035 HydrophobicContact CE-CG2 3.72Å; K1031-V1035 WeakPolarHBondContact O-CG2 3.35Å; K1031-V1035 PolarHBondContact O-N 3.02Å; L1032-V1035 PolarHBondContact O-N 3.42Å; N1033-V1035 PolarHBondContact O-N 3.27Å; V1035-R1039 PolarHBondContact O-N 3.01Å
1036	I	92.6	Very high	88.2	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-49.6	178	-67.5	166.5	0	0	0	110.7	W855 L1032 N1033 R1039 S1040 V1046 L1070 L1074	W855-I1036 HydrophobicContact CD2-CG1 3.79Å; W855-I1036 HydrophobicContact CE3-CG1 3.95Å; W855-I1036 HydrophobicContact CG-CG1 4.34Å; W855-I1036 HydrophobicContact CH2-CG1 4.2Å; W855-I1036 HydrophobicContact CZ2-CB 4.27Å; W855-I1036 HydrophobicContact CZ2-CG1 4.04Å; W855-I1036 HydrophobicContact CZ2-CG2 4.5Å; W855-I1036 HydrophobicContact CZ3-CG1 4.15Å; L1032-I1036 HydrophobicContact CD1-CD1 4.35Å; L1032-I1036 HydrophobicContact CG-CD1 3.99Å; L1032-I1036 VanDerWaalsContact O-CG1 3.25Å; L1032-I1036 WeakPolarHBondContact O-CG1 3.46Å; L1032-I1036 PolarHBondContact O-N 3.21Å; N1033-I1036 PolarHBondContact O-N 3.13Å; I1036-R1039 PolarHBondContact O-N 3.02Å; I1036-S1040 WeakPolarHBondContact O-CA 3.44Å; I1036-S1040 WeakPolarHBondContact O-CB 3.47Å; I1036-S1040 PolarHBondContact O-N 3.14Å; I1036-S1040 PolarHBondContact O-OG 2.7Å; I1036-V1046 HydrophobicContact CG2-CG1 4.4Å; I1036-L1070 HydrophobicContact CD1-CD1 4.04Å; I1036-L1074 HydrophobicContact CG2-CD1 3.82Å; I1036-L1074 HydrophobicContact CG2-CD2 4.36Å
1037	V	93.7	Very high	89.4	Confident	38 Å²	38	49.4 Å²	49.4	23%	0.23	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-44.7	-178.4	173.6	0	0	0	0	110.8	N1033 R1039 S1040 H1041 E1072 L1074	N1033-V1037 WeakPolarHBondContact O-CB 3.26Å; N1033-V1037 WeakPolarHBondContact O-CG2 3.48Å; N1033-V1037 PolarHBondContact O-N 3.18Å; N1033-V1037 WeakPolarHBondContact OD1-CG2 3.32Å; V1037-R1039 PolarHBondContact O-N 2.96Å; V1037-R1039 VanDerWaalsContact O-N 3.11Å; V1037-S1040 PolarHBondContact O-N 2.92Å; V1037-H1041 HydrophobicContact CG1-CB 4.2Å; V1037-H1041 VanDerWaalsContact O-CB 3.31Å; V1037-H1041 WeakPolarHBondContact O-CB 3.21Å; V1037-H1041 PolarHBondContact O-N 3.08Å; V1037-H1041 PolarHBondContact O-ND1 3.11Å; V1037-E1072 WeakPolarHBondContact CG2-O 3.39Å; V1037-L1074 HydrophobicContact CG2-CD2 4.02Å; V1037-L1074 HydrophobicContact CG2-CG 4.29Å
1038	N	93.8	Very high	90.4	Very high	123 Å²	123	44.4 Å²	44.4	66%	0.658	22%	0.217	S	C	*	.	H	α-helix	trans	-55.3	-35	179.1	-170	16.4	0	0	0	112.3	E1034	E1034-N1038 WeakPolarHBondContact O-CB 3.47Å; E1034-N1038 PolarHBondContact O-N 3.25Å
1039	R	92.2	Very high	91	Very high	115 Å²	115	44.2 Å²	44.2	43%	0.434	22%	0.216	S	C	.	.	H	α-helix	trans	-96.3	-25.6	-179.2	-61.1	-63.4	-170.1	129.2	7.9	115	W855 R883 F885 E915 V1035 I1036 V1037	W855-R1039 HydrophobicContact CZ2-CB 4.12Å; R883-R1039 PolarHBondContact NH2-O 3.4Å; R883-R1039 VanDerWaalsContact NH2-O 3.11Å; F885-R1039 HydrophobicContact CE1-CB 4.41Å; F885-R1039 HydrophobicContact CZ-CB 4.43Å; E915-R1039 IonicContact OE1-CZ 3.25Å; E915-R1039 VanDerWaalsContact OE1-CZ 3.25Å; E915-R1039 IonicContact OE1-NH1 2.73Å; E915-R1039 PolarHBondContact OE1-NH1 3.23Å; E915-R1039 IonicContact OE1-NH2 3.17Å; E915-R1039 PolarHBondContact OE1-NH2 3.44Å; E915-R1039 IonicContact OE2-NH1 3.32Å; E915-R1039 PolarHBondContact OE2-NH1 3.11Å; V1035-R1039 PolarHBondContact O-N 3.01Å; I1036-R1039 PolarHBondContact O-N 3.02Å; V1037-R1039 PolarHBondContact O-N 2.96Å; V1037-R1039 VanDerWaalsContact O-N 3.11Å
1040	S	93.9	Very high	91.5	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-126.5	7.9	-163.9	-33.4	0	0	0	0	114.7	D853 W855 I1036 V1037 D1042 A1043	D853-S1040 WeakPolarHBondContact OD2-CB 3.44Å; W855-S1040 PolarHBondContact NE1-OG 3.16Å; I1036-S1040 WeakPolarHBondContact O-CA 3.44Å; I1036-S1040 WeakPolarHBondContact O-CB 3.47Å; I1036-S1040 PolarHBondContact O-N 3.14Å; I1036-S1040 PolarHBondContact O-OG 2.7Å; V1037-S1040 PolarHBondContact O-N 2.92Å; S1040-D1042 VanDerWaalsContact C-N 3.3Å; S1040-D1042 PolarHBondContact O-N 3.44Å; S1040-A1043 WeakPolarHBondContact O-CB 3.42Å; S1040-A1043 PolarHBondContact O-N 2.97Å; S1040-A1043 VanDerWaalsContact O-N 3.09Å
1041	H	89.9	Confident	91.5	Very high	100 Å²	100	41.9 Å²	41.9	46%	0.463	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-38.4	179.5	67.8	-80.8	0	0	0	113.3	V1037 A1043	V1037-H1041 HydrophobicContact CG1-CB 4.2Å; V1037-H1041 VanDerWaalsContact O-CB 3.31Å; V1037-H1041 WeakPolarHBondContact O-CB 3.21Å; V1037-H1041 PolarHBondContact O-N 3.08Å; V1037-H1041 PolarHBondContact O-ND1 3.11Å; H1041-A1043 VanDerWaalsContact C-N 3.28Å; H1041-A1043 PolarHBondContact O-N 3.35Å
1042	D	89.5	Confident	91.3	Very high	130 Å²	130	38.7 Å²	38.7	70%	0.695	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	1.3	177.8	-76.6	-21.7	0	0	0	113.7	S1040	S1040-D1042 VanDerWaalsContact C-N 3.3Å; S1040-D1042 PolarHBondContact O-N 3.44Å
1043	A	92.5	Very high	91.2	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.033	19%	0.194	C	C	.	.			trans	-70.4	141.2	-178.4	0	0	0	0	0	111.2	D853 S1040 H1041 L1045 V1046	D853-A1043 HydrophobicContact CB-CB 4.17Å; D853-A1043 VanDerWaalsContact OD2-CB 3.27Å; D853-A1043 WeakPolarHBondContact OD2-CB 3.18Å; S1040-A1043 WeakPolarHBondContact O-CB 3.42Å; S1040-A1043 PolarHBondContact O-N 2.97Å; S1040-A1043 VanDerWaalsContact O-N 3.09Å; H1041-A1043 VanDerWaalsContact C-N 3.28Å; H1041-A1043 PolarHBondContact O-N 3.35Å; A1043-L1045 VanDerWaalsContact C-N 3.32Å; A1043-V1046 HydrophobicContact CB-CG2 3.92Å
1044	R	93.3	Very high	90.7	Very high	93 Å²	93	38.8 Å²	38.8	35%	0.351	19%	0.19	S	C	.	.	S	Bend	trans	-73	-29.1	177.9	-66.3	-60.8	-173.1	-170.1	-3.6	112	N851 W877 R1076	N851-R1044 PolarHBondContact O-N 3.19Å; W877-R1044 HydrophobicContact CZ3-CB 4.19Å; R1044-R1076 VanDerWaalsContact O-CD 3.32Å; R1044-R1076 WeakPolarHBondContact O-CD 3.42Å; R1044-R1076 PolarHBondContact O-NH1 3.13Å
1045	L	95.1	Very high	89.8	Confident	0 Å²	0	44 Å²	44	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	130.4	176.4	-179.2	65.9	0	0	0	109.8	Y840 I852 D853 L871 W877 A1043 L1047 R1076 M1078	Y840-L1045 HydrophobicContact CE1-CD1 4.24Å; Y840-L1045 WeakPolarHBondContact OH-CD1 3.45Å; I852-L1045 WeakPolarHBondContact CA-O 3.45Å; I852-L1045 HydrophobicContact CG2-CB 4.44Å; I852-L1045 HydrophobicContact CG2-CD2 4.34Å; D853-L1045 PolarHBondContact N-O 3.31Å; L871-L1045 HydrophobicContact CD2-CD2 3.49Å; L871-L1045 VanDerWaalsContact CD2-CD2 3.49Å; W877-L1045 HydrophobicContact CH2-CB 3.93Å; W877-L1045 HydrophobicContact CH2-CD2 4.17Å; W877-L1045 HydrophobicContact CH2-CG 4.5Å; W877-L1045 HydrophobicContact CZ3-CB 3.73Å; W877-L1045 HydrophobicContact CZ3-CD2 4.26Å; A1043-L1045 VanDerWaalsContact C-N 3.32Å; L1045-L1047 HydrophobicContact CD2-CD1 3.72Å; L1045-L1047 HydrophobicContact CG-CD1 3.78Å; L1045-R1076 HydrophobicContact CD1-CB 4.15Å; L1045-M1078 HydrophobicContact CD1-CB 4.37Å; L1045-M1078 HydrophobicContact CD1-CE 4.39Å; L1045-M1078 HydrophobicContact CD2-CE 4.09Å
1046	V	96.2	Very high	89.1	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121.4	173.5	-175.1	0	0	0	0	109.3	D853 I1036 A1043 L1048 L1074 R1076 V1077 M1078	D853-V1046 CarbonylContact O-C 3.47Å; D853-V1046 WeakPolarHBondContact O-CA 3.38Å; I1036-V1046 HydrophobicContact CG2-CG1 4.4Å; A1043-V1046 HydrophobicContact CB-CG2 3.92Å; V1046-L1048 HydrophobicContact CG1-CD2 4.02Å; V1046-L1074 HydrophobicContact CB-CD1 4.41Å; V1046-L1074 HydrophobicContact CG1-CD1 4.25Å; V1046-L1074 HydrophobicContact CG2-CD1 4.44Å; V1046-L1074 HydrophobicContact CG2-CD2 4.32Å; V1046-R1076 PolarHBondContact N-O 3.42Å; V1046-V1077 WeakPolarHBondContact O-CA 3.27Å; V1046-M1078 PolarHBondContact O-N 3.31Å
1047	L	95.7	Very high	88.3	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.8	171	-69	84.2	0	0	0	108.5	I852 D853 W855 L864 L867 P868 L1045 M1078 V1080	I852-L1047 HydrophobicContact CG2-CD1 3.54Å; D853-L1047 PolarHBondContact O-N 2.69Å; W855-L1047 PolarHBondContact N-O 3.03Å; L864-L1047 HydrophobicContact CD2-CB 4.22Å; L867-L1047 HydrophobicContact CB-CD2 4.02Å; L867-L1047 HydrophobicContact CD1-CD2 4.45Å; P868-L1047 HydrophobicContact CG-CD1 4.05Å; P868-L1047 HydrophobicContact CG-CD2 3.67Å; P868-L1047 HydrophobicContact CG-CG 4.46Å; L1045-L1047 HydrophobicContact CD2-CD1 3.72Å; L1045-L1047 HydrophobicContact CG-CD1 3.78Å; L1047-M1078 WeakPolarHBondContact CA-O 3.46Å; L1047-M1078 HydrophobicContact CD2-SD 4.14Å; L1047-M1078 HydrophobicContact CG-CB 4.27Å; L1047-M1078 HydrophobicContact CG-SD 4.4Å; L1047-V1080 HydrophobicContact CD2-CG2 4.47Å
1048	L	93.6	Very high	87.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.5	170.9	62.9	134.4	0	0	0	110.2	W855 V1046 L1070 T1071 V1077 M1078 L1079 V1080	W855-L1048 HydrophobicContact CB-CB 3.91Å; V1046-L1048 HydrophobicContact CG1-CD2 4.02Å; L1048-L1070 HydrophobicContact CD1-CD2 3.64Å; L1048-L1070 HydrophobicContact CD1-CG 3.95Å; L1048-T1071 HydrophobicContact CD2-CG2 4.43Å; L1048-V1077 HydrophobicContact CD2-CG1 3.51Å; L1048-M1078 PolarHBondContact N-O 2.93Å; L1048-L1079 HydrophobicContact CD1-CD2 3.75Å; L1048-L1079 HydrophobicContact CD2-CD2 4.17Å; L1048-L1079 HydrophobicContact CG-CD2 3.75Å; L1048-L1079 WeakPolarHBondContact O-CA 3.18Å; L1048-V1080 PolarHBondContact O-N 3.2Å
1049	N	90.3	Very high	86.6	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	139.1	175	57.9	-54.2	0	0	0	112	W855 I857 L864 Y927 V1080	W855-N1049 PolarHBondContact O-OD1 3.32Å; I857-N1049 WeakPolarHBondContact CB-OD1 3.45Å; I857-N1049 WeakPolarHBondContact CG1-OD1 3.12Å; I857-N1049 PolarHBondContact N-OD1 2.99Å; I857-N1049 VanDerWaalsContact N-OD1 3.12Å; I857-N1049 PolarHBondContact O-ND2 3.33Å; L864-N1049 HydrophobicContact CD1-CB 4.22Å; Y927-N1049 WeakPolarHBondContact CD1-ND2 3.33Å; Y927-N1049 WeakPolarHBondContact CE1-ND2 3.11Å; Y927-N1049 WeakPolarHBondContact CE1-O 3.36Å; Y927-N1049 PolarHBondContact OH-O 2.94Å; N1049-V1080 CarbonylContact C-O 3.56Å; N1049-V1080 WeakPolarHBondContact CA-O 3.3Å
1050	M	89	Confident	86.2	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.03	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-93.2	140	175.5	60.1	-180	-65.9	0	0	111.8	V821 L831 V833 Y1063 L1067 L1079 V1080 R1081	V821-M1050 HydrophobicContact CG1-CE 3.89Å; V821-M1050 HydrophobicContact CG2-CE 4.23Å; L831-M1050 HydrophobicContact CD2-CE 4.1Å; L831-M1050 HydrophobicContact CD2-SD 3.78Å; L831-M1050 HydrophobicContact CG-SD 4.46Å; V833-M1050 HydrophobicContact CG2-SD 4.45Å; M1050-Y1063 WeakPolarHBondContact CE-OH 3.3Å; M1050-L1067 HydrophobicContact CB-CD2 4.32Å; M1050-L1079 HydrophobicContact CB-CB 4.23Å; M1050-L1079 HydrophobicContact SD-CB 4.32Å; M1050-V1080 PolarHBondContact N-O 3.04Å; M1050-R1081 HydrophobicContact CG-CB 3.65Å; M1050-R1081 HydrophobicContact CG-CG 4.31Å; M1050-R1081 HydrophobicContact SD-CB 4.04Å
1051	P	86.7	Confident	85.8	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.026	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-75.2	165.3	179.4	30.5	-34.1	0	0	0	113.2	Y927 Y1063 F1066 L1067 R1081	Y927-P1051 HydrophobicContact CD1-CB 4.27Å; Y927-P1051 HydrophobicContact CE1-CB 3.98Å; Y927-P1051 HydrophobicContact CE1-CG 4.39Å; P1051-Y1063 HydrophobicContact CG-CE2 4.14Å; P1051-Y1063 WeakPolarHBondContact O-CE2 3.47Å; P1051-Y1063 PolarHBondContact O-OH 3.4Å; P1051-F1066 HydrophobicContact CG-CD1 4.05Å; P1051-F1066 HydrophobicContact CG-CE1 3.65Å; P1051-L1067 HydrophobicContact CG-CD2 4.45Å; P1051-R1081 PolarHBondContact O-NH1 3.35Å
1052	G	81.5	Confident	85.4	Confident	3 Å²	3	45.7 Å²	45.7	3%	0.031	22%	0.222	C	C	.	.			trans	-41.6	126.4	165.6	0	0	0	0	0	115.8	Y1063 R1081	G1052-Y1063 WeakPolarHBondContact O-CE2 3.45Å; G1052-R1081 VanDerWaalsContact CA-NH2 3.34Å
1053	P	84	Confident	85.3	Confident	17 Å²	17	39.5 Å²	39.5	11%	0.11	19%	0.189	C	C	.	.			trans	-63.1	149	159.3	31.3	-35.3	0	0	0	109	I818 V821 R822 Y1063	I818-P1053 HydrophobicContact CG2-CB 4.47Å; V821-P1053 HydrophobicContact CG1-CG 4.09Å; R822-P1053 HydrophobicContact CG-CB 4.37Å; R822-P1053 HydrophobicContact CG-CG 3.95Å; P1053-Y1063 HydrophobicContact CB-CD1 4.5Å; P1053-Y1063 HydrophobicContact CB-CE1 4.24Å; P1053-Y1063 HydrophobicContact CB-CE2 4.48Å
1054	P	79.9	Confident	85.1	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.019	19%	0.188	C	C	.	.			trans	-59.7	150.7	177	24.3	-33.7	0	0	0	112.1	R822 W991 N1056	R822-P1054 PolarHBondContact NH2-O 3.43Å; W991-P1054 HydrophobicContact CB-CB 3.56Å; W991-P1054 HydrophobicContact CB-CG 4.5Å; W991-P1054 HydrophobicContact CD2-CB 3.9Å; W991-P1054 HydrophobicContact CD2-CG 4.38Å; W991-P1054 HydrophobicContact CE3-CB 4.45Å; W991-P1054 HydrophobicContact CE3-CG 4.48Å; W991-P1054 HydrophobicContact CG-CB 3.51Å; W991-P1054 HydrophobicContact CG-CG 4.43Å; P1054-N1056 VanDerWaalsContact C-N 3.34Å
1055	R	70.6	Confident	84.8	Confident	232 Å²	232	37 Å²	37	88%	0.875	18%	0.181	S	C	*	.	S	Bend	trans	-65.7	-37.1	173.5	-72.8	-172.9	174.9	-176	-0.8	112.3
1056	N	76.8	Confident	84.5	Confident	65 Å²	65	37.1 Å²	37.1	35%	0.348	18%	0.181	S	C	.	.	S	Bend	trans	-94.8	142.8	-179.5	-60.6	4.8	0	0	0	109.6	R822 T992 E994 P1054 D1058	R822-N1056 PolarHBondContact NH2-O 3.13Å; T992-N1056 HydrophobicContact CG2-CB 3.43Å; T992-N1056 VanDerWaalsContact CG2-CB 3.43Å; E994-N1056 PolarHBondContact OE1-ND2 2.91Å; P1054-N1056 VanDerWaalsContact C-N 3.34Å; N1056-D1058 VanDerWaalsContact C-N 3.27Å; N1056-D1058 PolarHBondContact O-N 3.43Å
1057	T	76.6	Confident	84.2	Confident	91 Å²	91	37 Å²	37	56%	0.558	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-70.6	-20.9	-176.9	44.5	0	0	0	0	113.9	G1059 D1060	T1057-G1059 PolarHBondContact O-N 3.43Å; T1057-D1060 VanDerWaalsContact O-CB 3.27Å; T1057-D1060 WeakPolarHBondContact O-CB 3.48Å; T1057-D1060 PolarHBondContact O-N 2.89Å
1058	D	72.8	Confident	84	Confident	125 Å²	125	38.1 Å²	38.1	67%	0.668	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-72.6	-13.8	-175.9	-54.2	-29.7	0	0	0	112.9	N1056	N1056-D1058 VanDerWaalsContact C-N 3.27Å; N1056-D1058 PolarHBondContact O-N 3.43Å
1059	G	77.9	Confident	83.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-95.5	4.9	174.7	0	0	0	0	0	114.4	T1057 E1061 N1062 Y1063	T1057-G1059 PolarHBondContact O-N 3.43Å; G1059-E1061 VanDerWaalsContact C-N 3.33Å; G1059-E1061 PolarHBondContact O-N 3.42Å; G1059-N1062 PolarHBondContact O-N 3.39Å; G1059-Y1063 PolarHBondContact O-N 2.87Å; G1059-Y1063 VanDerWaalsContact O-N 3.08Å
1060	D	84.5	Confident	83.8	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.064	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-37.3	-172.3	-75.8	0.7	0	0	0	112.4	W814 I818 R822 T1057 Y1063 M1064	W814-D1060 HydrophobicContact CH2-CB 4.44Å; W814-D1060 HydrophobicContact CZ3-CB 3.73Å; I818-D1060 HydrophobicContact CD1-CB 3.54Å; I818-D1060 WeakPolarHBondContact CD1-O 3.18Å; R822-D1060 IonicContact CZ-OD1 3.39Å; R822-D1060 VanDerWaalsContact CZ-OD1 3.29Å; R822-D1060 IonicContact CZ-OD2 2.87Å; R822-D1060 IonicContact NH1-OD1 2.78Å; R822-D1060 PolarHBondContact NH1-OD1 3.46Å; R822-D1060 IonicContact NH1-OD2 3.66Å; R822-D1060 PolarHBondContact NH1-OD2 3.26Å; R822-D1060 IonicContact NH2-OD1 3.2Å; R822-D1060 PolarHBondContact NH2-OD1 3.04Å; R822-D1060 IonicContact NH2-OD2 3.81Å; T1057-D1060 VanDerWaalsContact O-CB 3.27Å; T1057-D1060 WeakPolarHBondContact O-CB 3.48Å; T1057-D1060 PolarHBondContact O-N 2.89Å; D1060-Y1063 WeakPolarHBondContact O-CB 3.39Å; D1060-Y1063 PolarHBondContact O-N 3.09Å; D1060-M1064 PolarHBondContact O-N 3.31Å
1061	E	84.6	Confident	84	Confident	115 Å²	115	39 Å²	39	54%	0.537	19%	0.191	S	C	.	.	H	α-helix	trans	-68	-44.9	177	-172.8	172.3	-168.7	0	0	111.6	W814 G1059 Y1063 M1064 E1065	W814-E1061 HydrophobicContact CH2-CB 4.05Å; W814-E1061 HydrophobicContact CZ3-CB 4.43Å; G1059-E1061 VanDerWaalsContact C-N 3.33Å; G1059-E1061 PolarHBondContact O-N 3.42Å; E1061-Y1063 PolarHBondContact O-N 2.91Å; E1061-M1064 PolarHBondContact O-N 3.27Å; E1061-M1064 VanDerWaalsContact O-N 3.08Å; E1061-E1065 PolarHBondContact O-N 3.31Å
1062	N	83.4	Confident	84.2	Confident	54 Å²	54	43.6 Å²	43.6	29%	0.289	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-33.2	175.5	-66.3	-18.5	0	0	0	112	N1022 G1059 F1066	N1022-N1062 PolarHBondContact OD1-ND2 3.17Å; G1059-N1062 PolarHBondContact O-N 3.39Å; N1062-F1066 VanDerWaalsContact O-CB 3.3Å; N1062-F1066 WeakPolarHBondContact O-CB 3.36Å; N1062-F1066 PolarHBondContact O-N 2.97Å
1063	Y	87.1	Confident	84.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.5	-42.1	175.9	-179.3	-103.1	0	0	0	112.5	I818 W991 M1050 P1051 G1052 P1053 G1059 D1060 E1061 F1066 L1067	I818-Y1063 HydrophobicContact CD1-CD1 4.26Å; I818-Y1063 HydrophobicContact CG1-CD1 4.32Å; W991-Y1063 AromaticContact CH2-CD2 3.88Å; W991-Y1063 HydrophobicContact CH2-CD2 3.88Å; W991-Y1063 HydrophobicContact CZ2-CD2 4.41Å; W991-Y1063 HydrophobicContact CZ3-CD2 4.21Å; M1050-Y1063 WeakPolarHBondContact CE-OH 3.3Å; P1051-Y1063 HydrophobicContact CG-CE2 4.14Å; P1051-Y1063 WeakPolarHBondContact O-CE2 3.47Å; P1051-Y1063 PolarHBondContact O-OH 3.4Å; G1052-Y1063 WeakPolarHBondContact O-CE2 3.45Å; P1053-Y1063 HydrophobicContact CB-CD1 4.5Å; P1053-Y1063 HydrophobicContact CB-CE1 4.24Å; P1053-Y1063 HydrophobicContact CB-CE2 4.48Å; G1059-Y1063 PolarHBondContact O-N 2.87Å; G1059-Y1063 VanDerWaalsContact O-N 3.08Å; D1060-Y1063 WeakPolarHBondContact O-CB 3.39Å; D1060-Y1063 PolarHBondContact O-N 3.09Å; E1061-Y1063 PolarHBondContact O-N 2.91Å; Y1063-F1066 PolarHBondContact O-N 3.27Å; Y1063-L1067 HydrophobicContact CD1-CD1 4.09Å; Y1063-L1067 HydrophobicContact CE1-CD1 3.51Å; Y1063-L1067 HydrophobicContact CE1-CG 4.31Å; Y1063-L1067 WeakPolarHBondContact O-CG 3.26Å; Y1063-L1067 PolarHBondContact O-N 3.18Å; Y1063-L1067 VanDerWaalsContact O-N 3.11Å
1064	M	88.6	Confident	84.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-44.7	174.1	-72.2	-57	-60.1	0	0	111.7	W801 P802 W805 W814 F817 I818 D1060 E1061 F1066 L1067 E1068	W801-M1064 HydrophobicContact CH2-CE 3.62Å; W801-M1064 HydrophobicContact CZ2-CE 3.66Å; W801-M1064 HydrophobicContact CZ3-CE 4.38Å; P802-M1064 HydrophobicContact CG-CE 3.82Å; W805-M1064 HydrophobicContact CD2-CB 4.37Å; W805-M1064 HydrophobicContact CD2-CE 4.09Å; W805-M1064 HydrophobicContact CE3-CB 4.19Å; W805-M1064 HydrophobicContact CG-CE 4.16Å; W805-M1064 HydrophobicContact CH2-CB 3.43Å; W805-M1064 VanDerWaalsContact CH2-CB 3.43Å; W805-M1064 HydrophobicContact CZ2-CB 3.64Å; W805-M1064 HydrophobicContact CZ3-CB 3.73Å; W805-M1064 HydrophobicContact CZ3-CG 4.46Å; W814-M1064 HydrophobicContact CB-CE 4.48Å; W814-M1064 HydrophobicContact CB-CG 4.37Å; W814-M1064 HydrophobicContact CE3-CG 4.06Å; F817-M1064 HydrophobicContact CD1-CE 4.26Å; F817-M1064 HydrophobicContact CD1-SD 3.61Å; F817-M1064 HydrophobicContact CE1-CE 4.41Å; F817-M1064 HydrophobicContact CE1-SD 3.84Å; I818-M1064 HydrophobicContact CD1-CG 3.87Å; I818-M1064 HydrophobicContact CD1-SD 4.2Å; I818-M1064 HydrophobicContact CG1-CG 4.4Å; I818-M1064 HydrophobicContact CG1-SD 4.08Å; D1060-M1064 PolarHBondContact O-N 3.31Å; E1061-M1064 PolarHBondContact O-N 3.27Å; E1061-M1064 VanDerWaalsContact O-N 3.08Å; M1064-F1066 VanDerWaalsContact C-N 3.32Å; M1064-F1066 PolarHBondContact O-N 3.1Å; M1064-L1067 PolarHBondContact O-N 3.28Å; M1064-E1068 PolarHBondContact O-N 3.31Å
1065	E	86.8	Confident	85.4	Confident	43 Å²	43	49.4 Å²	49.4	20%	0.201	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-43.2	176.1	-79.5	-58.8	149.4	0	0	111.8	W805 R806 M1026 E1061 L1067 E1068 V1069	W805-E1065 HydrophobicContact CH2-CG 3.89Å; W805-E1065 WeakPolarHBondContact CH2-OE1 3.24Å; R806-E1065 IonicContact CZ-OE1 3.93Å; R806-E1065 IonicContact CZ-OE2 3.68Å; R806-E1065 IonicContact NE-OE1 3.32Å; R806-E1065 PolarHBondContact NE-OE1 2.95Å; R806-E1065 IonicContact NE-OE2 2.89Å; R806-E1065 PolarHBondContact NE-OE2 3.09Å; R806-E1065 IonicContact NH2-OE1 2.68Å; R806-E1065 IonicContact NH2-OE2 3.88Å; R806-E1065 PolarHBondContact NH2-OE2 3.48Å; M1026-E1065 HydrophobicContact CE-CB 3.86Å; E1061-E1065 PolarHBondContact O-N 3.31Å; E1065-L1067 PolarHBondContact O-N 2.95Å; E1065-E1068 PolarHBondContact O-N 2.66Å; E1065-V1069 VanDerWaalsContact O-CG2 3.32Å; E1065-V1069 WeakPolarHBondContact O-CG2 3.34Å; E1065-V1069 PolarHBondContact O-N 3.32Å
1066	F	88.1	Confident	86.5	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-47	175.4	-179.9	-84.3	0	0	0	112.2	A926 A1029 P1051 N1062 Y1063 M1064 L1070	A926-F1066 HydrophobicContact CB-CE2 4.23Å; A926-F1066 HydrophobicContact CB-CZ 3.99Å; A1029-F1066 HydrophobicContact CB-CD2 3.67Å; A1029-F1066 HydrophobicContact CB-CE2 3.6Å; A1029-F1066 HydrophobicContact CB-CG 4.33Å; A1029-F1066 HydrophobicContact CB-CZ 4.19Å; P1051-F1066 HydrophobicContact CG-CD1 4.05Å; P1051-F1066 HydrophobicContact CG-CE1 3.65Å; N1062-F1066 VanDerWaalsContact O-CB 3.3Å; N1062-F1066 WeakPolarHBondContact O-CB 3.36Å; N1062-F1066 PolarHBondContact O-N 2.97Å; Y1063-F1066 PolarHBondContact O-N 3.27Å; M1064-F1066 VanDerWaalsContact C-N 3.32Å; M1064-F1066 PolarHBondContact O-N 3.1Å; F1066-L1070 HydrophobicContact CE1-CD2 3.95Å; F1066-L1070 VanDerWaalsContact O-CB 3.23Å; F1066-L1070 WeakPolarHBondContact O-CB 3.42Å; F1066-L1070 PolarHBondContact O-N 3.11Å
1067	L	90.5	Very high	87.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.4	-36	180	-70.6	179.4	0	0	0	112.6	W801 F817 M1050 P1051 Y1063 M1064 E1065 T1071 L1079	W801-L1067 HydrophobicContact CH2-CB 3.73Å; W801-L1067 HydrophobicContact CH2-CD1 4.15Å; W801-L1067 HydrophobicContact CZ3-CB 4.31Å; W801-L1067 HydrophobicContact CZ3-CD1 4.14Å; F817-L1067 HydrophobicContact CE1-CD1 4.5Å; M1050-L1067 HydrophobicContact CB-CD2 4.32Å; P1051-L1067 HydrophobicContact CG-CD2 4.45Å; Y1063-L1067 HydrophobicContact CD1-CD1 4.09Å; Y1063-L1067 HydrophobicContact CE1-CD1 3.51Å; Y1063-L1067 HydrophobicContact CE1-CG 4.31Å; Y1063-L1067 WeakPolarHBondContact O-CG 3.26Å; Y1063-L1067 PolarHBondContact O-N 3.18Å; Y1063-L1067 VanDerWaalsContact O-N 3.11Å; M1064-L1067 PolarHBondContact O-N 3.28Å; E1065-L1067 PolarHBondContact O-N 2.95Å; L1067-T1071 PolarHBondContact O-N 3.32Å; L1067-T1071 PolarHBondContact O-OG1 3.21Å; L1067-L1079 HydrophobicContact CD2-CD1 4.48Å
1068	E	90.2	Very high	88.3	Confident	24 Å²	24	32.1 Å²	32.1	11%	0.112	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-51.2	177.5	-161.6	70.1	-124.7	0	0	110.1	W801 W805 K835 M1064 E1065 L1070 T1071 E1072	W801-E1068 WeakPolarHBondContact CZ2-OE2 3.34Å; W801-E1068 PolarHBondContact NE1-OE2 3.22Å; W805-E1068 HydrophobicContact CZ2-CB 4.24Å; W805-E1068 PolarHBondContact NE1-OE2 3.43Å; K835-E1068 VanDerWaalsContact CE-OE1 3.25Å; K835-E1068 WeakPolarHBondContact CE-OE1 3.36Å; K835-E1068 IonicContact NZ-OE1 3.67Å; K835-E1068 PolarHBondContact NZ-OE1 3.46Å; M1064-E1068 PolarHBondContact O-N 3.31Å; E1065-E1068 PolarHBondContact O-N 2.66Å; E1068-L1070 VanDerWaalsContact C-N 3.31Å; E1068-L1070 PolarHBondContact O-N 3.44Å; E1068-T1071 CarbonylContact O-C 3.55Å; E1068-T1071 PolarHBondContact O-N 3.46Å; E1068-T1071 VanDerWaalsContact O-N 3.12Å; E1068-T1071 PolarHBondContact O-OG1 3.47Å; E1068-E1072 PolarHBondContact O-N 3.09Å; E1068-E1072 VanDerWaalsContact O-N 3.12Å
1069	V	90.4	Very high	89.3	Confident	26 Å²	26	26.1 Å²	26.1	16%	0.158	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-39.3	177.4	173.4	0	0	0	0	112	M1026 A1029 V1030 N1033 E1065 T1071	M1026-V1069 HydrophobicContact CE-CG2 4.21Å; A1029-V1069 HydrophobicContact CB-CB 4.31Å; A1029-V1069 HydrophobicContact CB-CG1 3.9Å; V1030-V1069 HydrophobicContact CB-CG1 4.47Å; V1030-V1069 HydrophobicContact CG2-CG1 3.59Å; N1033-V1069 WeakPolarHBondContact CB-O 3.47Å; N1033-V1069 VanDerWaalsContact CG-O 3.22Å; N1033-V1069 PolarHBondContact ND2-O 3.11Å; N1033-V1069 VanDerWaalsContact ND2-O 3.12Å; E1065-V1069 VanDerWaalsContact O-CG2 3.32Å; E1065-V1069 WeakPolarHBondContact O-CG2 3.34Å; E1065-V1069 PolarHBondContact O-N 3.32Å; V1069-T1071 PolarHBondContact O-N 2.88Å
1070	L	90.3	Very high	90.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.8	-25.1	179	179.8	61	0	0	0	113.5	Y927 L1032 N1033 I1036 L1048 F1066 E1068	Y927-L1070 WeakPolarHBondContact OH-CD2 3.34Å; L1032-L1070 HydrophobicContact CB-CD1 4.2Å; L1032-L1070 HydrophobicContact CD2-CD1 3.55Å; L1032-L1070 HydrophobicContact CG-CD1 3.78Å; N1033-L1070 PolarHBondContact OD1-O 3.43Å; I1036-L1070 HydrophobicContact CD1-CD1 4.04Å; L1048-L1070 HydrophobicContact CD1-CD2 3.64Å; L1048-L1070 HydrophobicContact CD1-CG 3.95Å; F1066-L1070 HydrophobicContact CE1-CD2 3.95Å; F1066-L1070 VanDerWaalsContact O-CB 3.23Å; F1066-L1070 WeakPolarHBondContact O-CB 3.42Å; F1066-L1070 PolarHBondContact O-N 3.11Å; E1068-L1070 VanDerWaalsContact C-N 3.31Å; E1068-L1070 PolarHBondContact O-N 3.44Å
1071	T	92.3	Very high	90.4	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	14.9	-173.7	57.5	0	0	0	0	112.7	K835 L1048 L1067 E1068 V1069 V1077 L1079	K835-T1071 WeakPolarHBondContact CD-OG1 3.38Å; K835-T1071 PolarHBondContact NZ-OG1 2.76Å; L1048-T1071 HydrophobicContact CD2-CG2 4.43Å; L1067-T1071 PolarHBondContact O-N 3.32Å; L1067-T1071 PolarHBondContact O-OG1 3.21Å; E1068-T1071 CarbonylContact O-C 3.55Å; E1068-T1071 PolarHBondContact O-N 3.46Å; E1068-T1071 VanDerWaalsContact O-N 3.12Å; E1068-T1071 PolarHBondContact O-OG1 3.47Å; V1069-T1071 PolarHBondContact O-N 2.88Å; T1071-V1077 HydrophobicContact CG2-CG1 3.9Å; T1071-L1079 HydrophobicContact CG2-CD2 3.93Å
1072	E	91.8	Very high	90.6	Very high	101 Å²	101	22.1 Å²	22.1	47%	0.472	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	135.5	-179.8	-168.7	63.9	-138.1	0	0	110.3	N1033 V1037 E1068	N1033-E1072 PolarHBondContact ND2-O 3.35Å; N1033-E1072 PolarHBondContact OD1-O 2.86Å; V1037-E1072 WeakPolarHBondContact CG2-O 3.39Å; E1068-E1072 PolarHBondContact O-N 3.09Å; E1068-E1072 VanDerWaalsContact O-N 3.12Å
1073	G	88.2	Confident	90.6	Very high	56 Å²	56	20 Å²	20	58%	0.577	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	6.3	179.7	0	0	0	0	0	115.9
1074	L	92.6	Very high	90.2	Very high	8 Å²	8	22 Å²	22	4%	0.042	14%	0.135	C	C	.	.			trans	-107.4	133.1	176.9	-59.8	176.7	0	0	0	111.8	N836 I1036 V1037 V1046 V1077	N836-L1074 PolarHBondContact ND2-O 2.97Å; I1036-L1074 HydrophobicContact CG2-CD1 3.82Å; I1036-L1074 HydrophobicContact CG2-CD2 4.36Å; V1037-L1074 HydrophobicContact CG2-CD2 4.02Å; V1037-L1074 HydrophobicContact CG2-CG 4.29Å; V1046-L1074 HydrophobicContact CB-CD1 4.41Å; V1046-L1074 HydrophobicContact CG1-CD1 4.25Å; V1046-L1074 HydrophobicContact CG2-CD1 4.44Å; V1046-L1074 HydrophobicContact CG2-CD2 4.32Å; L1074-V1077 HydrophobicContact CB-CG2 3.4Å; L1074-V1077 HydrophobicContact CD1-CG2 3.79Å; L1074-V1077 HydrophobicContact CG-CG2 4.26Å
1075	E	89.8	Confident	89.6	Confident	81 Å²	81	28.6 Å²	28.6	38%	0.379	16%	0.159	S	C	.	.	S	Bend	trans	-70.8	-57.9	-175.1	-164.8	-168.4	176	0	0	112.2	N836	N836-E1075 WeakPolarHBondContact CB-O 3.27Å; N836-E1075 PolarHBondContact ND2-O 3.11Å
1076	R	93.7	Very high	89.5	Confident	21 Å²	21	27.5 Å²	27.5	8%	0.079	15%	0.154	C	C	.	.	S	Bend	trans	-123.3	114.1	-179.3	-59.9	-179.3	-159.8	65.7	19.2	110.4	F839 Y840 R1044 L1045 V1046	F839-R1076 HydrophobicContact CB-CG 4.41Å; F839-R1076 PolarHBondContact O-NE 2.97Å; F839-R1076 PolarHBondContact O-NH2 2.89Å; Y840-R1076 HydrophobicContact CD2-CG 4.28Å; Y840-R1076 HydrophobicContact CE2-CB 4.04Å; Y840-R1076 HydrophobicContact CE2-CG 4.28Å; R1044-R1076 VanDerWaalsContact O-CD 3.32Å; R1044-R1076 WeakPolarHBondContact O-CD 3.42Å; R1044-R1076 PolarHBondContact O-NH1 3.13Å; L1045-R1076 HydrophobicContact CD1-CB 4.15Å; V1046-R1076 PolarHBondContact N-O 3.42Å
1077	V	94.7	Very high	89.1	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.4	-178.8	-177	0	0	0	0	110.3	P834 K835 Y840 V1046 L1048 T1071 L1074 L1079	P834-V1077 WeakPolarHBondContact CA-O 3.45Å; K835-V1077 HydrophobicContact CB-CB 4.21Å; K835-V1077 PolarHBondContact N-O 3.13Å; Y840-V1077 PolarHBondContact OH-O 3.25Å; V1046-V1077 WeakPolarHBondContact O-CA 3.27Å; L1048-V1077 HydrophobicContact CD2-CG1 3.51Å; T1071-V1077 HydrophobicContact CG2-CG1 3.9Å; L1074-V1077 HydrophobicContact CB-CG2 3.4Å; L1074-V1077 HydrophobicContact CD1-CG2 3.79Å; L1074-V1077 HydrophobicContact CG-CG2 4.26Å; V1077-L1079 HydrophobicContact CG1-CD2 4.18Å; V1077-L1079 HydrophobicContact CG1-CG 4.39Å
1078	M	95.4	Very high	88.8	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	108.5	169.2	-175.5	-175.9	-48.2	0	0	109.2	F720 L1045 V1046 L1047 L1048 V1080	F720-M1078 HydrophobicContact CD2-CE 4.39Å; F720-M1078 HydrophobicContact CE1-CE 4.09Å; F720-M1078 HydrophobicContact CE2-CE 3.26Å; F720-M1078 HydrophobicContact CZ-CE 3.08Å; F720-M1078 HydrophobicContact CZ-SD 3.91Å; L1045-M1078 HydrophobicContact CD1-CB 4.37Å; L1045-M1078 HydrophobicContact CD1-CE 4.39Å; L1045-M1078 HydrophobicContact CD2-CE 4.09Å; V1046-M1078 PolarHBondContact O-N 3.31Å; L1047-M1078 WeakPolarHBondContact CA-O 3.46Å; L1047-M1078 HydrophobicContact CD2-SD 4.14Å; L1047-M1078 HydrophobicContact CG-CB 4.27Å; L1047-M1078 HydrophobicContact CG-SD 4.4Å; L1048-M1078 PolarHBondContact N-O 2.93Å; M1078-V1080 HydrophobicContact CG-CG2 4.02Å; M1078-V1080 HydrophobicContact SD-CG2 4.27Å
1079	L	95.3	Very high	88.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129	172.5	-62	175	0	0	0	108.8	W801 M832 V833 L1048 M1050 L1067 T1071 V1077	W801-L1079 HydrophobicContact CE3-CD1 4.45Å; W801-L1079 HydrophobicContact CZ3-CD1 4.06Å; M832-L1079 WeakPolarHBondContact CA-O 2.98Å; V833-L1079 HydrophobicContact CB-CB 4.16Å; V833-L1079 PolarHBondContact N-O 2.96Å; V833-L1079 PolarHBondContact O-N 3.25Å; L1048-L1079 HydrophobicContact CD1-CD2 3.75Å; L1048-L1079 HydrophobicContact CD2-CD2 4.17Å; L1048-L1079 HydrophobicContact CG-CD2 3.75Å; L1048-L1079 WeakPolarHBondContact O-CA 3.18Å; M1050-L1079 HydrophobicContact CB-CB 4.23Å; M1050-L1079 HydrophobicContact SD-CB 4.32Å; L1067-L1079 HydrophobicContact CD2-CD1 4.48Å; T1071-L1079 HydrophobicContact CG2-CD2 3.93Å; V1077-L1079 HydrophobicContact CG1-CD2 4.18Å; V1077-L1079 HydrophobicContact CG1-CG 4.39Å
1080	V	94.1	Very high	87.4	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.8	-176.1	179.7	0	0	0	0	109.8	M863 L864 L867 L1047 L1048 N1049 M1050 M1078	M863-V1080 HydrophobicContact CE-CG1 3.28Å; M863-V1080 HydrophobicContact CG-CG1 4.12Å; M863-V1080 HydrophobicContact SD-CG1 3.93Å; L864-V1080 HydrophobicContact CD2-CB 4.41Å; L867-V1080 HydrophobicContact CD1-CG1 3.88Å; L867-V1080 HydrophobicContact CD1-CG2 3.77Å; L1047-V1080 HydrophobicContact CD2-CG2 4.47Å; L1048-V1080 PolarHBondContact O-N 3.2Å; N1049-V1080 CarbonylContact C-O 3.56Å; N1049-V1080 WeakPolarHBondContact CA-O 3.3Å; M1050-V1080 PolarHBondContact N-O 3.04Å; M1078-V1080 HydrophobicContact CG-CG2 4.02Å; M1078-V1080 HydrophobicContact SD-CG2 4.27Å
1081	R	91.3	Very high	86.6	Confident	31 Å²	31	30.1 Å²	30.1	12%	0.117	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	131.3	173	-171.4	-177.5	-178.1	124.6	8.5	111.6	T825 A830 L831 M863 E930 M1050 P1051 G1052	T825-R1081 VanDerWaalsContact CG2-NE 3.25Å; A830-R1081 CarbonylContact C-O 3.6Å; A830-R1081 VanDerWaalsContact CA-O 3.31Å; A830-R1081 WeakPolarHBondContact CA-O 3.34Å; L831-R1081 HydrophobicContact CB-CB 4.22Å; L831-R1081 PolarHBondContact N-O 3.04Å; L831-R1081 PolarHBondContact O-N 3.33Å; M863-R1081 VanDerWaalsContact CE-C 3.43Å; E930-R1081 IonicContact OE2-NH2 3.14Å; M1050-R1081 HydrophobicContact CG-CB 3.65Å; M1050-R1081 HydrophobicContact CG-CG 4.31Å; M1050-R1081 HydrophobicContact SD-CB 4.04Å; P1051-R1081 PolarHBondContact O-NH1 3.35Å; G1052-R1081 VanDerWaalsContact CA-NH2 3.34Å
1082	G	88.4	Confident	85	Confident	11 Å²	11	34.3 Å²	34.3	11%	0.113	20%	0.196	C	C	.	.			trans	-76.7	152	174.3	0	0	0	0	0	113	D860 M863 G1084	D860-G1082 PolarHBondContact OD2-N 3.38Å; M863-G1082 VanDerWaalsContact CE-CA 3.47Å; M863-G1082 VanDerWaalsContact CE-N 3.32Å; G1082-G1084 VanDerWaalsContact C-N 3.3Å
1083	G	83.4	Confident	84.7	Confident	10 Å²	10	31 Å²	31	10%	0.103	18%	0.182	C	C	.	.			trans	-81.3	-8	169	0	0	0	0	0	113.5	E1086	G1083-E1086 VanDerWaalsContact CA-OE1 3.28Å; G1083-E1086 WeakPolarHBondContact CA-OE1 3.34Å; G1083-E1086 VanDerWaalsContact N-CD 3.33Å; G1083-E1086 PolarHBondContact N-OE1 2.83Å; G1083-E1086 PolarHBondContact N-OE2 3.43Å
1084	G	78.3	Confident	84.5	Confident	42 Å²	42	29.7 Å²	29.7	43%	0.433	16%	0.161	S	C	.	.	S	Bend	trans	93.5	3.8	175.1	0	0	0	0	0	114.7	G1082 E1086	G1082-G1084 VanDerWaalsContact C-N 3.3Å; G1084-E1086 PolarHBondContact N-OE2 3.13Å
1085	R	76.1	Confident	84.1	Confident	138 Å²	138	30.9 Å²	30.9	52%	0.521	17%	0.168	S	C	.	.			trans	-120.8	4.5	-175.7	-64	-172.9	-179.1	-177.3	2.9	113.3	H828 M941 V1087	H828-R1085 PolarHBondContact CD2-NH2 3.17Å; M941-R1085 HydrophobicContact CE-CB 3.53Å; M941-R1085 HydrophobicContact CE-CG 3.66Å; M941-R1085 HydrophobicContact SD-CB 4.22Å; M941-R1085 HydrophobicContact SD-CG 4.1Å; R1085-V1087 PolarHBondContact O-N 3.19Å
1086	E	83.9	Confident	83.8	Confident	20 Å²	20	27.9 Å²	27.9	9%	0.093	16%	0.156	C	C	.	.			trans	-82.4	110.1	-173.2	-59.7	80.6	-174.2	0	0	111.5	W696 G1083 G1084	W696-E1086 HydrophobicContact CB-CB 4.34Å; W696-E1086 HydrophobicContact CD2-CB 4.34Å; W696-E1086 HydrophobicContact CD2-CG 3.93Å; W696-E1086 HydrophobicContact CG-CB 4.04Å; W696-E1086 HydrophobicContact CG-CG 3.86Å; W696-E1086 HydrophobicContact CZ2-CG 4.34Å; G1083-E1086 VanDerWaalsContact CA-OE1 3.28Å; G1083-E1086 WeakPolarHBondContact CA-OE1 3.34Å; G1083-E1086 VanDerWaalsContact N-CD 3.33Å; G1083-E1086 PolarHBondContact N-OE1 2.83Å; G1083-E1086 PolarHBondContact N-OE2 3.43Å; G1084-E1086 PolarHBondContact N-OE2 3.13Å
1087	V	81.1	Confident	83.1	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.018	16%	0.161	C	C	.	.			trans	-113.2	128.2	170.9	-176.1	0	0	0	0	108.9	K694 W696 L942 M945 L947 R1085 T1089	K694-V1087 CarbonylContact C-O 3.58Å; W696-V1087 PolarHBondContact N-O 3.38Å; L942-V1087 HydrophobicContact CD2-CG1 4.39Å; L942-V1087 HydrophobicContact CD2-CG2 3.7Å; M945-V1087 HydrophobicContact CE-CG2 3.88Å; M945-V1087 HydrophobicContact SD-CG2 4.31Å; L947-V1087 HydrophobicContact CD1-CG1 4.46Å; R1085-V1087 PolarHBondContact O-N 3.19Å; V1087-T1089 HydrophobicContact CG1-CG2 4.16Å
1088	I	83.6	Confident	82.4	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.021	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-127.5	110.4	-178.2	-58.6	159.7	0	0	0	107.7	W696 G862 L866 Y1091	W696-I1088 HydrophobicContact CB-CG1 3.95Å; W696-I1088 HydrophobicContact CE3-CD1 4.2Å; G862-I1088 VanDerWaalsContact C-CD1 3.43Å; G862-I1088 WeakPolarHBondContact O-CD1 3.38Å; L866-I1088 HydrophobicContact CB-CD1 4.02Å; L866-I1088 HydrophobicContact CD2-CD1 3.71Å; L866-I1088 HydrophobicContact CD2-CG1 4.25Å; L866-I1088 HydrophobicContact CG-CD1 4.48Å; I1088-Y1091 HydrophobicContact CB-CE2 4.49Å; I1088-Y1091 HydrophobicContact CG2-CD1 4.14Å; I1088-Y1091 HydrophobicContact CG2-CD2 4.08Å; I1088-Y1091 HydrophobicContact CG2-CE1 3.75Å; I1088-Y1091 HydrophobicContact CG2-CE2 3.68Å; I1088-Y1091 HydrophobicContact CG2-CG 4.29Å
1089	T	76.8	Confident	81.4	Confident	7 Å²	7	32.2 Å²	32.2	4%	0.043	18%	0.182	C	C	.	.			trans	-109.3	-19	178.5	57.8	0	0	0	0	112.7	K694 N695 E951 V1087	K694-T1089 PolarHBondContact O-OG1 3.49Å; K694-T1089 VanDerWaalsContact O-OG1 3.05Å; N695-T1089 PolarHBondContact OD1-N 3Å; N695-T1089 PolarHBondContact OD1-OG1 2.84Å; E951-T1089 HydrophobicContact CB-CG2 4.33Å; V1087-T1089 HydrophobicContact CG1-CG2 4.16Å
1090	I	74.6	Confident	80.4	Confident	77 Å²	77	34.7 Å²	34.7	40%	0.395	20%	0.196	S	C	.	.			trans	-128.6	120.4	178	-54.3	-179.6	0	0	0	110.4	N695 R697	N695-I1090 PolarHBondContact OD1-N 2.82Å; R697-I1090 PolarHBondContact NH1-O 3.11Å; R697-I1090 VanDerWaalsContact NH1-O 3.11Å
1091	Y	73.4	Confident	79.2	Confident	19 Å²	19	37.6 Å²	37.6	8%	0.075	21%	0.213	C	C	.	.			trans	-101	104.2	174.3	-63.3	-102.2	0	0	0	107.8	G862 M865 L866 L908 I910 I1088	G862-Y1091 WeakPolarHBondContact CA-OH 3.15Å; M865-Y1091 HydrophobicContact CB-CE1 4.14Å; L866-Y1091 HydrophobicContact CB-CD1 4.31Å; L866-Y1091 HydrophobicContact CB-CE1 4.13Å; L866-Y1091 HydrophobicContact CD1-CD1 4.06Å; L908-Y1091 HydrophobicContact CD1-CD2 3.46Å; L908-Y1091 VanDerWaalsContact CD1-CD2 3.46Å; L908-Y1091 HydrophobicContact CD1-CE2 3.47Å; L908-Y1091 VanDerWaalsContact CD1-CE2 3.47Å; L908-Y1091 HydrophobicContact CD1-CG 4.27Å; L908-Y1091 HydrophobicContact CD2-CD2 3.87Å; L908-Y1091 HydrophobicContact CD2-CE2 4.4Å; L908-Y1091 HydrophobicContact CG-CD2 4.2Å; I910-Y1091 HydrophobicContact CD1-CD1 3.83Å; I910-Y1091 HydrophobicContact CD1-CD2 4.48Å; I910-Y1091 HydrophobicContact CD1-CE1 4.47Å; I910-Y1091 HydrophobicContact CD1-CG 3.84Å; I1088-Y1091 HydrophobicContact CB-CE2 4.49Å; I1088-Y1091 HydrophobicContact CG2-CD1 4.14Å; I1088-Y1091 HydrophobicContact CG2-CD2 4.08Å; I1088-Y1091 HydrophobicContact CG2-CE1 3.75Å; I1088-Y1091 HydrophobicContact CG2-CE2 3.68Å; I1088-Y1091 HydrophobicContact CG2-CG 4.29Å
1092	S	59.9	Low	78.1	Confident	89 Å²	89	38.2 Å²	38.2	62%	0.622	22%	0.222	S	C	*	.			trans	-143.3	0	-179.3	61.7	0	0	0	0	112.3	R697 Q873	R697-S1092 PolarHBondContact NH2-O 2.86Å; R697-S1092 PolarHBondContact NH2-OG 3.05Å; Q873-S1092 PolarHBondContact NE2-OXT 3.02Å

Retrieved 1,092 of 1,092 residues in 4055.8 ms (Link to these results)

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