A0A087WSZ2_HUMAN Loading...

Actinin alpha 3

AlphaFold DB , UniProt , Accession A0A087WSZ2, Species HUMAN (Homo sapiens, Human), Gene ACTN3, Length 944 aa.

						>A0A087WSZ2_HUMAN|A0A087WSZ2|ACTN3
MGIGLCVPPARCWKRLTRSSRGQPLERPAATIIIGLSIVERSKQTQRGPVDFSRSHSAPAAEQECKPRISAARSTPAPPSPAVPGFRTTPCQTFTAWCNSHLRKAGTQIENIEEDFRNGLKLMLLLEVISGERLPRPDKGKMRFHKIANVNKALDFIASKGVKLVSIGAEEIVDGNLKMTLGMIWTIILRFAIQDISVEETSAKEGLLLWCQRKTAPYRNVNVQNFHTSWKDGLALCALIHRHRPDLIDYAKLRKDDPIGNLNTAFEVAEKYLDIPKMLDAEDIVNTPKPDEKAIMTYVSCFYHAFAGAEQAETAANRICKVLAVNQENEKLMEEYEKLASELLEWIRRTVPWLENRVGEPSMSAMQRKLEDFRDYRRLHKPPRIQEKCQLEINFNTLQTKLRLSHRPAFMPSEGKLVSDIANAWRGLEQVEKGYEDWLLSEIRRLQRLQHLAEKFRQKASLHEAWTRGKEEMLSQRDYDSALLQEVRALLRRHEAFESDLAAHQDRVEHIAALAQELNELDYHEAASVNSRCQAICDQWDNLGTLTQKRRDALERMEKLLETIDRLQLEFARRAAPFNNWLDGAVEDLQDVWLVHSVEETQSLLTAHDQFKATLPEADRERGAIMGIQGEIQKICQTYGLRPCSTNPYITLSPQDINTKWDMVRKLVPSCDQTLQEELARQQVNERLRRQFAAQANAIGPWIQAKVEEVGRLAAGLAGSLEEQMAGLRQQEQNIINYKTNIDRLEGDHQLLQESLVFDNKHTVYSMEHIRVGWEQLLTSIARTINEVENQVLTRDAKGLSQEQLNEFRASFNHFDRKQNGMMEPDDFRACLISMGYDLGEVEFARIMTMVDPNAAGVVTFQAFIDFMTRETAETDTTEQVVASFKILAGDKNYITPEELRRELPAKQAEYCIRRMVPYKGSGAPAGALDYVAFSSALYGESDL
					

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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	36	Very low	34.9	Very low	249 Å²	249	143.7 Å²	143.7	100%	1.227	86%	0.862	S	S	*	*				0	108.2	0	-74.7	178.5	-177.7	0	0	107
2	G	34.9	Very low	34.4	Very low	80 Å²	80	141.7 Å²	141.7	83%	0.825	86%	0.857	S	S	*	*			trans	-90.1	140.9	-178.3	0	0	0	0	0	111.2
3	I	38.7	Very low	33.8	Very low	166 Å²	166	149.9 Å²	149.9	85%	0.851	86%	0.864	S	S	*	*			trans	-132	108.7	162.5	-59.4	180	0	0	0	106
4	G	32.9	Very low	33.4	Very low	70 Å²	70	151.7 Å²	151.7	72%	0.722	86%	0.857	S	S	*	*			trans	-84.6	153	168.8	0	0	0	0	0	110.9
5	L	33.6	Very low	33	Very low	177 Å²	177	154.9 Å²	154.9	93%	0.927	85%	0.849	S	S	*	*			trans	-137.3	127.8	161.8	-89.4	165.4	0	0	0	109.1
6	C	32	Very low	32.6	Very low	116 Å²	116	153.4 Å²	153.4	78%	0.784	84%	0.84	S	S	*	*			trans	-117.4	137.5	-179.4	-105.9	0	0	0	0	109.3
7	V	28.6	Very low	32.3	Very low	127 Å²	127	150.9 Å²	150.9	77%	0.77	83%	0.83	S	S	*	*			trans	81.2	151.3	139.9	178.6	0	0	0	0	116.7
8	P	42.4	Very low	32	Very low	116 Å²	116	155.2 Å²	155.2	75%	0.753	83%	0.832	S	S	*	*			cis	-134.3	-179.7	12.8	16.2	11.8	0	0	0	119.1
9	P	43.9	Very low	31.8	Very low	126 Å²	126	152.7 Å²	152.7	82%	0.818	83%	0.828	S	S	*	*			trans	-95.7	158.2	175.1	38.4	-31.7	0	0	0	113.8
10	A	30.5	Very low	31.7	Very low	105 Å²	105	149.6 Å²	149.6	87%	0.868	82%	0.818	S	S	*	*			trans	-116.3	132.9	173.6	0	0	0	0	0	112.8
11	R	30.6	Very low	31.6	Very low	249 Å²	249	154.4 Å²	154.4	94%	0.94	82%	0.824	S	S	*	*			trans	-81.2	160.3	179.8	-75.1	176.8	168.8	-174.6	-3	112.8
12	C	28.7	Very low	31.3	Very low	119 Å²	119	146.5 Å²	146.5	80%	0.804	81%	0.806	S	S	*	*			trans	-32.7	159.2	162.5	-68.9	0	0	0	0	116.8
13	W	26.8	Very low	30.9	Very low	249 Å²	249	151.7 Å²	151.7	94%	0.943	81%	0.809	S	S	*	*				-162.6	133.1	122.6	-103.9	40	0	0	0	111.9
14	K	27.8	Very low	31.6	Very low	175 Å²	175	148.3 Å²	148.3	76%	0.761	80%	0.798	S	S	*	*			trans	-7.7	153.2	146.7	-73.7	169.9	179.3	172.8	0	117.2
15	R	26.9	Very low	31.3	Very low	199 Å²	199	152.3 Å²	152.3	75%	0.751	80%	0.802	S	S	*	*			cis	176	161.5	34.7	-129.6	177.1	-174.3	-150.8	6	110.9
16	L	27.2	Very low	31	Very low	132 Å²	132	152.6 Å²	152.6	69%	0.691	80%	0.799	S	S	*	*			trans	66.5	143.5	149.3	-65.6	155.4	0	0	0	116.7
17	T	28.3	Very low	30.8	Very low	111 Å²	111	158.3 Å²	158.3	68%	0.681	80%	0.804	S	S	*	*			cis	-175.7	159.2	15.6	15.2	0	0	0	0	104.9
18	R	27.1	Very low	31.5	Very low	227 Å²	227	157.9 Å²	157.9	86%	0.857	80%	0.803	S	S	*	*			cis	179.5	144.5	47.5	-135.5	172.6	-178.8	-179.5	0.9	108.6
19	S	28.2	Very low	30.8	Very low	108 Å²	108	157 Å²	157	76%	0.755	81%	0.805	S	S	*	*			trans	60.5	138.7	133.2	-154.6	0	0	0	0	119.4
20	S	28.8	Very low	30.1	Very low	91 Å²	91	154.7 Å²	154.7	64%	0.636	80%	0.797	S	S	*	*			cis	-170.8	148.6	42.4	57.1	0	0	0	0	115.4
21	R	30.5	Very low	30	Very low	251 Å²	251	155.5 Å²	155.5	95%	0.947	79%	0.791	S	S	*	*			trans	72.9	128.6	138	-75.3	175.1	-175.4	-168	2	121.7
22	G	28.3	Very low	29.9	Very low	82 Å²	82	150 Å²	150	85%	0.845	78%	0.779	S	S	*	*			trans	161.7	102	152.2	0	0	0	0	0	113.7
23	Q	26.8	Very low	29.9	Very low	190 Å²	190	151.1 Å²	151.1	89%	0.888	78%	0.776	S	S	*	*			trans	-142.3	168.5	171.8	-132.7	-161.7	13.7	0	0	106.3
24	P	54.3	Low	30.1	Very low	94 Å²	94	146.8 Å²	146.8	61%	0.61	77%	0.77	S	S	*	*				-127.9	-159.5	-75.3	38.2	-20	0	0	0	113
25	L	25.9	Very low	30	Very low	155 Å²	155	141.4 Å²	141.4	81%	0.812	76%	0.763	S	S	*	*			trans	90.2	135.5	173.8	-67.9	119.7	0	0	0	114.8
26	E	27.7	Very low	30.1	Very low	183 Å²	183	140 Å²	140	86%	0.855	77%	0.77	S	S	*	*			cis	-149.3	171.6	30.1	-72.8	-170.8	138.6	0	0	113.9
27	R	26.5	Very low	30.1	Very low	236 Å²	236	139.2 Å²	139.2	89%	0.891	78%	0.776	S	S	*	*			trans	-70.2	-173.2	175.8	-65.5	-179.6	171.3	-176.2	-2	112.4
28	P	44.3	Very low	30.2	Very low	117 Å²	117	141.9 Å²	141.9	76%	0.76	78%	0.784	S	S	*	*			cis	-149.8	179.9	14.7	43.1	-20.8	0	0	0	119.9
29	A	28.4	Very low	30.4	Very low	97 Å²	97	137.2 Å²	137.2	80%	0.802	78%	0.78	S	S	*	*			trans	76.6	136.8	144.9	0	0	0	0	0	118.9
30	A	28.3	Very low	30.4	Very low	78 Å²	78	139 Å²	139	65%	0.645	78%	0.777	S	S	*	*			cis	-172.7	167.6	-6.6	0	0	0	0	0	109.2
31	T	27.7	Very low	30.4	Very low	122 Å²	122	144.6 Å²	144.6	75%	0.748	78%	0.784	S	S	*	*			trans	86.4	123.4	143.5	-52.4	0	0	0	0	114.9
32	I	28.6	Very low	30.3	Very low	133 Å²	133	137.3 Å²	137.3	68%	0.682	77%	0.772	S	S	*	*			cis	-178.9	154.5	14.8	-127.1	178.7	0	0	0	110.5
33	I	28.8	Very low	30.4	Very low	144 Å²	144	143 Å²	143	74%	0.738	77%	0.773	S	S	*	*			trans	72.4	133.3	147.7	-59.1	172.6	0	0	0	117.5
34	I	31.7	Very low	30.5	Very low	158 Å²	158	143.4 Å²	143.4	81%	0.81	78%	0.775	S	S	*	*			cis	-139.5	141	17.8	-54.9	171.3	0	0	0	108.8
35	G	25.9	Very low	29.3	Very low	61 Å²	61	144.9 Å²	144.9	63%	0.629	78%	0.782	S	S	*	*			trans	-121.1	149.3	151.5	0	0	0	0	0	109.4
36	L	28.8	Very low	29.4	Very low	170 Å²	170	144.7 Å²	144.7	89%	0.89	78%	0.778	S	S	*	*			trans	173.7	122	137.1	-94.6	161.8	0	0	0	110.8
37	S	27.7	Very low	29.3	Very low	115 Å²	115	146.6 Å²	146.6	80%	0.804	78%	0.777	S	S	*	*				-179.6	116.4	123.8	-81.9	0	0	0	0	109.9
38	I	30.6	Very low	29.2	Very low	167 Å²	167	138.9 Å²	138.9	86%	0.856	77%	0.771	S	S	*	*			trans	-128.2	136.4	159	-70.3	177.6	0	0	0	106.2
39	V	29.6	Very low	29	Very low	129 Å²	129	138.9 Å²	138.9	78%	0.782	77%	0.771	S	S	*	*			trans	-107	156	173.5	177.4	0	0	0	0	108.8
40	E	28.4	Very low	28.9	Very low	147 Å²	147	140 Å²	140	69%	0.687	77%	0.767	S	S	*	*			trans	93.3	128.9	172.8	-66.6	-157.4	171.3	0	0	115.4
41	R	28.7	Very low	28.9	Very low	207 Å²	207	142.1 Å²	142.1	78%	0.781	77%	0.768	S	S	*	*			cis	-166	152.6	27.6	-118.3	167.5	-153.5	-147.5	2.9	111.7
42	S	28.6	Very low	28.8	Very low	99 Å²	99	144.9 Å²	144.9	69%	0.692	77%	0.77	S	S	*	*			trans	54.2	118.5	137	-45.7	0	0	0	0	124.5
43	K	31.1	Very low	28.8	Very low	202 Å²	202	143.6 Å²	143.6	88%	0.878	77%	0.772	S	S	*	*			trans	67.2	118.8	131.4	-70	-173.7	176.9	-179.7	0	121.9
44	Q	28.4	Very low	28.8	Very low	197 Å²	197	148 Å²	148	92%	0.921	78%	0.78	S	S	*	*				-161.7	134	127.1	-115.9	168.1	-6.3	0	0	113.2
45	T	28.4	Very low	28.8	Very low	125 Å²	125	144.7 Å²	144.7	77%	0.767	77%	0.771	S	S	*	*			trans	-64.9	157.2	160.2	32.8	0	0	0	0	110.9
46	Q	28.6	Very low	29.1	Very low	152 Å²	152	150.4 Å²	150.4	71%	0.71	78%	0.781	S	S	*	*			cis	-173.5	154.7	34.2	-132.5	-176.4	25.8	0	0	110.6
47	R	26.1	Very low	29	Very low	223 Å²	223	147.2 Å²	147.2	84%	0.842	77%	0.772	S	S	*	*			trans	59.1	117.2	156.6	-66.6	178.6	179.1	-163.1	-0.3	117.9
48	G	23.9	Very low	29.1	Very low	74 Å²	74	146 Å²	146	76%	0.763	77%	0.769	S	S	*	*			cis	107	162.1	49.2	0	0	0	0	0	108.8
49	P	39.7	Very low	29.6	Very low	117 Å²	117	143.9 Å²	143.9	76%	0.76	77%	0.766	S	S	*	*			cis	-133.6	-176.5	-14.8	35.4	-13.4	0	0	0	114.4
50	V	27.8	Very low	29.4	Very low	119 Å²	119	142 Å²	142	72%	0.721	77%	0.765	S	S	*	*			trans	59.5	147.5	156.3	-89.7	0	0	0	0	120.1
51	D	26.8	Very low	29.3	Very low	123 Å²	123	139 Å²	139	66%	0.658	77%	0.765	S	S	*	*			cis	-165.6	157.9	19	-112	-26.7	0	0	0	112.4
52	F	27.4	Very low	29.1	Very low	181 Å²	181	136.6 Å²	136.6	79%	0.794	76%	0.763	S	S	*	*			trans	32.8	140.1	151.4	-76.7	-92.5	0	0	0	123.1
53	S	28.3	Very low	28.9	Very low	105 Å²	105	139.1 Å²	139.1	73%	0.734	76%	0.763	S	S	*	*				-179.1	143.1	64.5	-49.1	0	0	0	0	113.7
54	R	28.8	Very low	28.6	Very low	236 Å²	236	137.8 Å²	137.8	89%	0.891	76%	0.76	S	S	*	*			trans	167	103.4	130.5	-95.7	-170.2	172.3	180	-1.6	108.6
55	S	30.5	Very low	28.4	Very low	89 Å²	89	133.9 Å²	133.9	62%	0.622	75%	0.753	S	S	*	*				63	134.7	83.6	71.3	0	0	0	0	113.4
56	H	32.3	Very low	28.3	Very low	181 Å²	181	137.8 Å²	137.8	84%	0.838	76%	0.759	S	S	*	*			cis	-171.6	156.2	-7	-104	-52	0	0	0	102.9
57	S	26.6	Very low	28.4	Very low	103 Å²	103	135.9 Å²	135.9	72%	0.72	76%	0.76	S	S	*	*			cis	-179	125.2	42.6	30.7	0	0	0	0	105.8
58	A	29.6	Very low	28.5	Very low	89 Å²	89	137.2 Å²	137.2	74%	0.736	77%	0.765	S	S	*	*				89.3	159.4	84.1	0	0	0	0	0	113.1
59	P	42.3	Very low	28.7	Very low	123 Å²	123	141 Å²	141	80%	0.799	77%	0.767	S	S	*	*			cis	-142	-169.3	-36.3	34.3	-13.9	0	0	0	114
60	A	25.3	Very low	28.2	Very low	90 Å²	90	140.9 Å²	140.9	74%	0.744	77%	0.768	S	S	*	*			trans	91.8	102.6	157.8	0	0	0	0	0	115.4
61	A	26	Very low	28.2	Very low	83 Å²	83	139.7 Å²	139.7	69%	0.686	77%	0.771	S	S	*	*				98.6	137.9	81.1	0	0	0	0	0	108.3
62	E	25.6	Very low	28.2	Very low	158 Å²	158	138.9 Å²	138.9	74%	0.738	78%	0.782	S	S	*	*			cis	-169.4	153.6	5.8	-117.2	167.1	179.6	0	0	105.5
63	Q	24.3	Very low	28.3	Very low	152 Å²	152	141.9 Å²	141.9	71%	0.71	79%	0.788	S	S	*	*			trans	39.8	139.3	138	-73.9	163.1	-26.2	0	0	119.5
64	E	24.7	Very low	28.3	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.813	79%	0.793	S	S	*	*			cis	-174.1	167.7	36.4	-138	171.5	-172.5	0	0	110.6
65	C	24.3	Very low	28.3	Very low	114 Å²	114	137.9 Å²	137.9	77%	0.77	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-56.4	159	-179.2	-70.6	0	0	0	0	117.2
66	K	25.9	Very low	28.8	Very low	207 Å²	207	139.4 Å²	139.4	90%	0.9	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-47.3	131.3	153.8	-71.9	179.1	175.8	176.1	0	110.9
67	P	30	Very low	28.5	Very low	112 Å²	112	135.3 Å²	135.3	73%	0.727	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-92.5	139.1	161.4	32.4	-25.4	0	0	0	111
68	R	28.1	Very low	28.8	Very low	252 Å²	252	136.3 Å²	136.3	95%	0.951	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-90.3	130.5	152.1	-100.3	179.5	164.6	174.4	-4.2	107.2
69	I	28	Very low	29.7	Very low	154 Å²	154	138 Å²	138	79%	0.79	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-99.2	133.4	175.7	-64.5	172.3	0	0	0	109.5
70	S	29	Very low	29	Very low	113 Å²	113	137.6 Å²	137.6	79%	0.79	80%	0.803	S	S	*	*			trans	-147.9	95.4	149.4	59.3	0	0	0	0	106.8
71	A	29.1	Very low	29.7	Very low	95 Å²	95	139 Å²	139	79%	0.785	81%	0.805	S	S	*	*				69.2	99.5	91.5	0	0	0	0	0	113.7
72	A	26.6	Very low	29.9	Very low	106 Å²	106	139.9 Å²	139.9	88%	0.876	81%	0.812	S	S	*	*			trans	-106.2	141.3	153.6	0	0	0	0	0	109
73	R	29.9	Very low	30.1	Very low	243 Å²	243	138.9 Å²	138.9	92%	0.917	82%	0.816	S	S	*	*			trans	-56.9	147.6	-168.8	-72	166.4	168.2	178.3	-4.3	115.5
74	S	27.4	Very low	30.5	Very low	122 Å²	122	137.7 Å²	137.7	85%	0.853	82%	0.822	S	S	*	*				176	124.8	111.3	34.6	0	0	0	0	112.1
75	T	28.8	Very low	31	Very low	136 Å²	136	132.8 Å²	132.8	83%	0.834	82%	0.818	S	S	*	*			trans	-74.8	174.6	160.2	44.1	0	0	0	0	110.5
76	P	41.4	Very low	31.7	Very low	121 Å²	121	137.2 Å²	137.2	79%	0.786	82%	0.824	S	S	*	*			cis	-130.8	173.8	4.5	29.9	-5.6	0	0	0	113
77	A	26.3	Very low	32.5	Very low	95 Å²	95	139.3 Å²	139.3	79%	0.785	83%	0.827	S	S	*	*				172.3	162.5	87	0	0	0	0	0	111.4
78	P	32.9	Very low	33.7	Very low	123 Å²	123	137.4 Å²	137.4	80%	0.799	81%	0.813	S	S	*	*			trans	-102.6	178.5	-159.2	31.4	-14.7	0	0	0	115
79	P	48.6	Very low	35.2	Very low	126 Å²	126	127.4 Å²	127.4	82%	0.818	78%	0.78	S	S	*	*			trans	-102.3	168.2	-153.2	39.7	-33.2	0	0	0	114.6
80	S	25.8	Very low	36.8	Very low	114 Å²	114	121 Å²	121	80%	0.797	75%	0.749	S	S	*	*			trans	-160.6	168.4	159.5	72.3	0	0	0	0	110
81	P	40.1	Very low	38.8	Very low	120 Å²	120	116.8 Å²	116.8	78%	0.779	72%	0.719	S	S	*	*				-122.8	174.1	-87	26.2	-5.7	0	0	0	113.6
82	A	31.3	Very low	41.1	Very low	100 Å²	100	117.4 Å²	117.4	83%	0.826	71%	0.705	S	S	*	*			trans	-64.4	152.1	-178.2	0	0	0	0	0	114.8
83	V	29	Very low	43.5	Very low	137 Å²	137	112.6 Å²	112.6	83%	0.83	67%	0.665	S	S	*	*			trans	-123.3	137.4	159.2	-178.1	0	0	0	0	108.2
84	P	34.2	Very low	46.2	Very low	128 Å²	128	101.1 Å²	101.1	83%	0.831	62%	0.622	S	S	*	*			trans	-100.4	148.6	-170.4	21.3	-3.2	0	0	0	113.7
85	G	34.3	Very low	49	Very low	70 Å²	70	96.3 Å²	96.3	72%	0.722	59%	0.587	S	S	*	*			trans	141.5	51.1	158.5	0	0	0	0	0	118.8
86	F	38	Very low	51.6	Low	208 Å²	208	91 Å²	91	91%	0.912	56%	0.557	S	S	*	*	S	Bend	trans	-146.6	137	158.1	-100.4	-89.5	0	0	0	108.8	T88	F86-T88 PolarHBondContact O-N 3.36Å
87	R	43.8	Very low	53.7	Low	251 Å²	251	85.4 Å²	85.4	95%	0.947	52%	0.52	S	S	*	.			trans	-61	129.2	172.7	-71.5	-178.1	178.2	-155.6	-1.2	108.3
88	T	54.7	Low	56.6	Low	72 Å²	72	80.9 Å²	80.9	44%	0.442	48%	0.483	S	S	.	.			trans	-77.1	125.5	-171.8	52.2	0	0	0	0	111.8	F86 P90 C91	F86-T88 PolarHBondContact O-N 3.36Å; T88-P90 VanDerWaalsContact C-N 3.31Å; T88-P90 VanDerWaalsContact O-N 3.1Å; T88-C91 WeakPolarHBondContact O-CB 3.32Å; T88-C91 PolarHBondContact O-N 3.49Å
89	T	60.7	Low	59.2	Low	41 Å²	41	76.6 Å²	76.6	25%	0.252	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-36.8	-40.6	172.7	27.8	0	0	0	0	116.9	C91 Q92 D283	T89-C91 PolarHBondContact O-N 2.87Å; T89-C91 VanDerWaalsContact O-N 3.14Å; T89-Q92 PolarHBondContact O-N 3.31Å; T89-D283 HydrophobicContact CG2-CB 3.65Å
90	P	61	Low	60.9	Low	21 Å²	21	71.2 Å²	71.2	14%	0.136	42%	0.418	C	S	.	.	H	α-helix	trans	-57	-26.7	175.3	8.1	-23.6	0	0	0	115.7	T88 Q92 F94 D291	T88-P90 VanDerWaalsContact C-N 3.31Å; T88-P90 VanDerWaalsContact O-N 3.1Å; P90-Q92 PolarHBondContact O-N 2.81Å; P90-F94 HydrophobicContact CB-CE2 4.28Å; P90-F94 HydrophobicContact CB-CZ 4.4Å; P90-F94 WeakPolarHBondContact O-CB 3.28Å; P90-F94 VanDerWaalsContact O-CG 3.27Å; P90-F94 WeakPolarHBondContact O-CG 3.32Å; P90-F94 PolarHBondContact O-N 2.76Å; P90-F94 VanDerWaalsContact O-N 3.1Å; P90-D291 VanDerWaalsContact CB-OD2 3.25Å; P90-D291 WeakPolarHBondContact CB-OD2 3.43Å; P90-D291 WeakPolarHBondContact CD-OD2 3.47Å; P90-D291 VanDerWaalsContact CG-OD2 3.23Å; P90-D291 WeakPolarHBondContact CG-OD2 3.44Å
91	C	71.1	Confident	63.7	Low	24 Å²	24	67.6 Å²	67.6	16%	0.162	39%	0.389	C	S	.	.	H	α-helix	trans	-61.7	-42.6	179.3	-74.5	0	0	0	0	112.5	T88 T89 T95 L181	T88-C91 WeakPolarHBondContact O-CB 3.32Å; T88-C91 PolarHBondContact O-N 3.49Å; T89-C91 PolarHBondContact O-N 2.87Å; T89-C91 VanDerWaalsContact O-N 3.14Å; C91-T95 VanDerWaalsContact O-CB 3.28Å; C91-T95 WeakPolarHBondContact O-CB 3.34Å; C91-T95 PolarHBondContact O-N 3.16Å; C91-T95 VanDerWaalsContact O-N 3.14Å; C91-T95 PolarHBondContact O-OG1 3.21Å; C91-L181 HydrophobicContact CB-CD2 4.49Å; C91-L181 VanDerWaalsContact SG-CD1 3.56Å
92	Q	76.3	Confident	65.9	Low	108 Å²	108	61.9 Å²	61.9	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-72.7	-44.1	-176.1	-72.7	167.1	-27.1	0	0	111.1	T89 P90 T95 A96 D283	T89-Q92 PolarHBondContact O-N 3.31Å; P90-Q92 PolarHBondContact O-N 2.81Å; Q92-T95 PolarHBondContact O-N 3.08Å; Q92-A96 WeakPolarHBondContact O-CB 3.24Å; Q92-A96 PolarHBondContact O-N 3.14Å; Q92-D283 PolarHBondContact OE1-OD2 3.34Å
93	T	78.8	Confident	68.4	Low	4 Å²	4	62.3 Å²	62.3	3%	0.025	33%	0.332	C	S	.	.	H	α-helix	trans	-66.2	-42.8	-179.7	-47.4	0	0	0	0	112.6	T95 A96 W97 M278 L279 A294	T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 3.05Å; T93-A96 PolarHBondContact O-N 3.11Å; T93-W97 WeakPolarHBondContact O-CB 3.47Å; T93-W97 PolarHBondContact O-N 3.46Å; T93-M278 WeakPolarHBondContact CA-O 3.34Å; T93-M278 WeakPolarHBondContact CB-O 3.5Å; T93-M278 HydrophobicContact CG2-CB 3.9Å; T93-M278 WeakPolarHBondContact CG2-O 3.45Å; T93-M278 PolarHBondContact OG1-O 2.82Å; T93-L279 HydrophobicContact CG2-CD2 3.77Å; T93-L279 HydrophobicContact CG2-CG 4.49Å; T93-L279 VanDerWaalsContact OG1-CD2 3.28Å; T93-L279 WeakPolarHBondContact OG1-CD2 3.3Å; T93-A294 HydrophobicContact CG2-CB 4Å
94	F	86.7	Confident	70.8	Confident	3 Å²	3	62.9 Å²	62.9	1%	0.013	32%	0.324	C	S	.	.	H	α-helix	trans	-68.4	-35.5	177.7	-68.5	-2.8	0	0	0	111.5	P90 C98 I112 L181 I184 W185 I188 K293	P90-F94 HydrophobicContact CB-CE2 4.28Å; P90-F94 HydrophobicContact CB-CZ 4.4Å; P90-F94 WeakPolarHBondContact O-CB 3.28Å; P90-F94 VanDerWaalsContact O-CG 3.27Å; P90-F94 WeakPolarHBondContact O-CG 3.32Å; P90-F94 PolarHBondContact O-N 2.76Å; P90-F94 VanDerWaalsContact O-N 3.1Å; F94-C98 WeakPolarHBondContact O-CB 3.49Å; F94-C98 PolarHBondContact O-N 2.88Å; F94-C98 PolarHBondContact O-SG 3.04Å; F94-I112 HydrophobicContact CB-CD1 3.87Å; F94-L181 HydrophobicContact CD2-CB 4.4Å; F94-L181 HydrophobicContact CD2-CD2 3.8Å; F94-L181 HydrophobicContact CE2-CB 4.42Å; F94-L181 WeakPolarHBondContact CE2-O 3.2Å; F94-I184 HydrophobicContact CB-CG2 3.84Å; F94-I184 HydrophobicContact CD2-CB 4.31Å; F94-I184 HydrophobicContact CD2-CG2 4.13Å; F94-I184 HydrophobicContact CG-CG2 4.07Å; F94-W185 AromaticContact CE1-CE3 3.98Å; F94-W185 HydrophobicContact CE1-CE3 3.98Å; F94-W185 HydrophobicContact CE2-CB 3.84Å; F94-W185 HydrophobicContact CZ-CB 3.86Å; F94-W185 HydrophobicContact CZ-CD2 4.29Å; F94-W185 AromaticContact CZ-CE3 3.71Å; F94-W185 HydrophobicContact CZ-CE3 3.71Å; F94-W185 HydrophobicContact CZ-CG 4.4Å; F94-I188 HydrophobicContact CD1-CD1 3.5Å; F94-I188 HydrophobicContact CE1-CD1 3.82Å; F94-I188 HydrophobicContact CG-CD1 4.01Å; F94-K293 HydrophobicContact CE1-CB 4.31Å; F94-K293 HydrophobicContact CZ-CB 3.96Å; F94-K293 HydrophobicContact CZ-CD 4.39Å
95	T	85.1	Confident	73	Confident	21 Å²	21	59 Å²	59	13%	0.129	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-49.9	173.2	-60.9	0	0	0	0	111.1	C91 Q92 T93 W97 C98 N99 I109 I112	C91-T95 VanDerWaalsContact O-CB 3.28Å; C91-T95 WeakPolarHBondContact O-CB 3.34Å; C91-T95 PolarHBondContact O-N 3.16Å; C91-T95 VanDerWaalsContact O-N 3.14Å; C91-T95 PolarHBondContact O-OG1 3.21Å; Q92-T95 PolarHBondContact O-N 3.08Å; T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 3.05Å; T95-W97 PolarHBondContact O-N 3.13Å; T95-C98 PolarHBondContact O-N 3.05Å; T95-N99 WeakPolarHBondContact O-CB 3.4Å; T95-N99 PolarHBondContact O-N 2.92Å; T95-N99 PolarHBondContact O-ND2 2.91Å; T95-I109 HydrophobicContact CG2-CD1 4.29Å; T95-I109 HydrophobicContact CG2-CG1 3.88Å; T95-I112 WeakPolarHBondContact OG1-CB 3.49Å
96	A	83	Confident	75.3	Confident	25 Å²	25	59.1 Å²	59.1	21%	0.207	30%	0.303	C	S	.	.	H	α-helix	trans	-63.9	-39.1	179.1	0	0	0	0	0	112.3	Q92 T93 N99 S100 M278	Q92-A96 WeakPolarHBondContact O-CB 3.24Å; Q92-A96 PolarHBondContact O-N 3.14Å; T93-A96 PolarHBondContact O-N 3.11Å; A96-N99 PolarHBondContact O-N 3.39Å; A96-S100 PolarHBondContact O-N 3.38Å; A96-M278 HydrophobicContact CB-CB 3.85Å; A96-M278 HydrophobicContact CB-CG 3.65Å
97	W	86.4	Confident	77.6	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-47.5	173.9	-177.6	83.6	0	0	0	111.7	T93 T95 N99 S100 H101 L125 I129 I187 I188 A192 M278 T297	T93-W97 WeakPolarHBondContact O-CB 3.47Å; T93-W97 PolarHBondContact O-N 3.46Å; T95-W97 PolarHBondContact O-N 3.13Å; W97-N99 VanDerWaalsContact C-N 3.29Å; W97-N99 PolarHBondContact O-N 3.19Å; W97-S100 WeakPolarHBondContact O-CB 3.42Å; W97-S100 PolarHBondContact O-N 2.88Å; W97-S100 VanDerWaalsContact O-N 3.13Å; W97-S100 PolarHBondContact O-OG 2.78Å; W97-H101 AromaticContact CD2-CD2 3.99Å; W97-H101 AromaticContact CE2-CD2 3.6Å; W97-H101 AromaticContact CE2-NE2 3.46Å; W97-H101 AromaticContact CZ2-CD2 3.71Å; W97-H101 AromaticContact CZ2-NE2 3.5Å; W97-H101 AromaticContact NE1-CD2 3.91Å; W97-H101 AromaticContact NE1-NE2 3.47Å; W97-H101 PolarHBondContact NE1-NE2 3.38Å; W97-H101 PolarHBondContact O-CD2 3.04Å; W97-H101 PolarHBondContact O-N 3.46Å; W97-L125 HydrophobicContact CZ3-CD1 4.42Å; W97-L125 HydrophobicContact CZ3-CD2 4.29Å; W97-I129 HydrophobicContact CH2-CD1 4.37Å; W97-I129 HydrophobicContact CH2-CG2 4.18Å; W97-I187 HydrophobicContact CH2-CG2 4.17Å; W97-I187 HydrophobicContact CZ3-CG2 4.37Å; W97-I188 HydrophobicContact CD2-CD1 3.92Å; W97-I188 HydrophobicContact CD2-CG1 3.54Å; W97-I188 HydrophobicContact CE3-CD1 3.79Å; W97-I188 HydrophobicContact CE3-CG1 3.38Å; W97-I188 HydrophobicContact CG-CD1 4.24Å; W97-I188 HydrophobicContact CG-CG1 4.28Å; W97-I188 HydrophobicContact CH2-CG1 3.74Å; W97-I188 HydrophobicContact CZ2-CB 4.49Å; W97-I188 HydrophobicContact CZ2-CG1 3.89Å; W97-I188 HydrophobicContact CZ3-CD1 4.33Å; W97-I188 HydrophobicContact CZ3-CG1 3.49Å; W97-I188 VanDerWaalsContact CZ3-CG1 3.49Å; W97-A192 HydrophobicContact CZ2-CB 4.21Å; W97-M278 HydrophobicContact CB-SD 3.72Å; W97-M278 HydrophobicContact CG-SD 4.3Å; W97-T297 HydrophobicContact CB-CG2 3.91Å; W97-T297 VanDerWaalsContact CD1-CG2 3.4Å; W97-T297 HydrophobicContact CD2-CG2 4.47Å; W97-T297 HydrophobicContact CG-CG2 3.65Å
98	C	87.2	Confident	79.7	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.2	-43.7	175.8	-68	0	0	0	0	111.1	F94 T95 S100 H101 L102 I109 F116 L125	F94-C98 WeakPolarHBondContact O-CB 3.49Å; F94-C98 PolarHBondContact O-N 2.88Å; F94-C98 PolarHBondContact O-SG 3.04Å; T95-C98 PolarHBondContact O-N 3.05Å; C98-S100 VanDerWaalsContact C-N 3.34Å; C98-S100 PolarHBondContact O-N 3.36Å; C98-H101 PolarHBondContact O-N 3.16Å; C98-L102 HydrophobicContact CB-CD1 4.49Å; C98-L102 WeakPolarHBondContact O-CB 3.47Å; C98-L102 VanDerWaalsContact O-CG 3.31Å; C98-L102 WeakPolarHBondContact O-CG 3.47Å; C98-L102 PolarHBondContact O-N 3.05Å; C98-I109 HydrophobicContact CB-CD1 3.76Å; C98-I109 HydrophobicContact CB-CG1 4.49Å; C98-F116 HydrophobicContact CB-CZ 4.22Å; C98-L125 HydrophobicContact CB-CD1 4.45Å; C98-L125 HydrophobicContact CB-CD2 4.15Å; C98-L125 VanDerWaalsContact SG-CD2 3.56Å
99	N	87.5	Confident	81.3	Confident	34 Å²	34	41.8 Å²	41.8	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-32.4	177.5	-73.9	-21.1	0	0	0	113.2	T95 A96 W97 H101 L102 R103 Q108 I109	T95-N99 WeakPolarHBondContact O-CB 3.4Å; T95-N99 PolarHBondContact O-N 2.92Å; T95-N99 PolarHBondContact O-ND2 2.91Å; A96-N99 PolarHBondContact O-N 3.39Å; W97-N99 VanDerWaalsContact C-N 3.29Å; W97-N99 PolarHBondContact O-N 3.19Å; N99-H101 PolarHBondContact O-N 2.76Å; N99-L102 PolarHBondContact O-N 2.89Å; N99-R103 VanDerWaalsContact O-CB 3.32Å; N99-R103 WeakPolarHBondContact O-CB 3.48Å; N99-R103 WeakPolarHBondContact O-CG 3.45Å; N99-R103 PolarHBondContact O-N 3Å; N99-Q108 WeakPolarHBondContact OD1-CA 3.42Å; N99-I109 PolarHBondContact ND2-O 3.49Å; N99-I109 WeakPolarHBondContact OD1-CG1 3.36Å; N99-I109 PolarHBondContact OD1-N 2.75Å
100	S	84.3	Confident	82.5	Confident	12 Å²	12	47.9 Å²	47.9	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-28.7	175.4	81.5	0	0	0	0	113.4	A96 W97 C98 R103 P276	A96-S100 PolarHBondContact O-N 3.38Å; W97-S100 WeakPolarHBondContact O-CB 3.42Å; W97-S100 PolarHBondContact O-N 2.88Å; W97-S100 VanDerWaalsContact O-N 3.13Å; W97-S100 PolarHBondContact O-OG 2.78Å; C98-S100 VanDerWaalsContact C-N 3.34Å; C98-S100 PolarHBondContact O-N 3.36Å; S100-R103 VanDerWaalsContact O-CG 3.31Å; S100-R103 WeakPolarHBondContact O-CG 3.33Å; S100-R103 PolarHBondContact O-NE 2.72Å; S100-R103 VanDerWaalsContact O-NE 3.16Å; S100-P276 VanDerWaalsContact CB-CG 3.44Å
101	H	84.8	Confident	83.5	Confident	39 Å²	39	50 Å²	50	18%	0.181	27%	0.27	C	S	.	.	H	α-helix	trans	-92.1	-46.6	175.2	-69.7	-75.4	0	0	0	111.3	W97 C98 N99 R103 K104 L125 V128 I129	W97-H101 AromaticContact CD2-CD2 3.99Å; W97-H101 AromaticContact CE2-CD2 3.6Å; W97-H101 AromaticContact CE2-NE2 3.46Å; W97-H101 AromaticContact CZ2-CD2 3.71Å; W97-H101 AromaticContact CZ2-NE2 3.5Å; W97-H101 AromaticContact NE1-CD2 3.91Å; W97-H101 AromaticContact NE1-NE2 3.47Å; W97-H101 PolarHBondContact NE1-NE2 3.38Å; W97-H101 PolarHBondContact O-CD2 3.04Å; W97-H101 PolarHBondContact O-N 3.46Å; C98-H101 PolarHBondContact O-N 3.16Å; N99-H101 PolarHBondContact O-N 2.76Å; H101-R103 VanDerWaalsContact C-N 3.27Å; H101-R103 PolarHBondContact O-N 2.64Å; H101-K104 VanDerWaalsContact O-CB 3.31Å; H101-K104 WeakPolarHBondContact O-CB 3.06Å; H101-K104 PolarHBondContact O-N 2.82Å; H101-L125 HydrophobicContact CB-CD1 3.83Å; H101-V128 HydrophobicContact CB-CG1 4.24Å; H101-V128 WeakPolarHBondContact O-CG1 3.46Å; H101-I129 HydrophobicContact CB-CG2 4.06Å
102	L	85.8	Confident	84.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-27.2	-179	-70.7	173.6	0	0	0	113.6	C98 N99 K104 A105 G106 T107 I109 L124 L125	C98-L102 HydrophobicContact CB-CD1 4.49Å; C98-L102 WeakPolarHBondContact O-CB 3.47Å; C98-L102 VanDerWaalsContact O-CG 3.31Å; C98-L102 WeakPolarHBondContact O-CG 3.47Å; C98-L102 PolarHBondContact O-N 3.05Å; N99-L102 PolarHBondContact O-N 2.89Å; L102-K104 PolarHBondContact O-N 3.14Å; L102-A105 CarbonylContact O-C 3.58Å; L102-A105 WeakPolarHBondContact O-CA 3.3Å; L102-A105 PolarHBondContact O-N 2.91Å; L102-G106 PolarHBondContact O-N 3.09Å; L102-G106 VanDerWaalsContact O-N 3.11Å; L102-T107 CarbonylContact C-O 3.1Å; L102-T107 HydrophobicContact CB-CG2 3.98Å; L102-T107 VanDerWaalsContact CB-O 3.24Å; L102-T107 WeakPolarHBondContact CB-O 3.49Å; L102-T107 HydrophobicContact CD2-CG2 3.87Å; L102-T107 HydrophobicContact CG-CG2 4.34Å; L102-T107 PolarHBondContact O-N 2.85Å; L102-T107 VanDerWaalsContact O-O 3.1Å; L102-I109 HydrophobicContact CD1-CG2 4.06Å; L102-L124 HydrophobicContact CD2-CB 4.46Å; L102-L124 HydrophobicContact CD2-CD2 4.29Å; L102-L124 HydrophobicContact CD2-CG 4.18Å; L102-L125 HydrophobicContact CD2-CB 3.99Å; L102-L125 HydrophobicContact CD2-CD1 4.42Å; L102-L125 HydrophobicContact CG-CB 4.43Å; L102-L125 HydrophobicContact CG-CD1 4.13Å
103	R	84.4	Confident	84.3	Confident	108 Å²	108	47.4 Å²	47.4	41%	0.408	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-56	-33.1	172	71	-178	178.5	161.9	4.3	112.2	N99 S100 H101 A105 G106 T107 D274	N99-R103 VanDerWaalsContact O-CB 3.32Å; N99-R103 WeakPolarHBondContact O-CB 3.48Å; N99-R103 WeakPolarHBondContact O-CG 3.45Å; N99-R103 PolarHBondContact O-N 3Å; S100-R103 VanDerWaalsContact O-CG 3.31Å; S100-R103 WeakPolarHBondContact O-CG 3.33Å; S100-R103 PolarHBondContact O-NE 2.72Å; S100-R103 VanDerWaalsContact O-NE 3.16Å; H101-R103 VanDerWaalsContact C-N 3.27Å; H101-R103 PolarHBondContact O-N 2.64Å; R103-A105 PolarHBondContact O-N 3Å; R103-G106 PolarHBondContact O-N 2.99Å; R103-G106 VanDerWaalsContact O-N 3.14Å; R103-T107 PolarHBondContact N-O 2.93Å; R103-D274 IonicContact CZ-OD1 2.72Å; R103-D274 VanDerWaalsContact CZ-OD1 3.31Å; R103-D274 IonicContact CZ-OD2 2.64Å; R103-D274 IonicContact NH1-OD1 2.86Å; R103-D274 PolarHBondContact NH1-OD1 3.5Å; R103-D274 PolarHBondContact NH2-O 3.2Å; R103-D274 IonicContact NH2-OD1 2.96Å; R103-D274 PolarHBondContact NH2-OD1 3.38Å; R103-D274 IonicContact NH2-OD2 3.56Å; R103-D274 PolarHBondContact NH2-OD2 3.02Å
104	K	79.6	Confident	84.6	Confident	150 Å²	150	53 Å²	53	65%	0.652	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-68.9	-21.7	177.3	-56.9	-179	-179.3	-179.1	0	112.5	H101 L102 V128	H101-K104 VanDerWaalsContact O-CB 3.31Å; H101-K104 WeakPolarHBondContact O-CB 3.06Å; H101-K104 PolarHBondContact O-N 2.82Å; L102-K104 PolarHBondContact O-N 3.14Å; K104-V128 HydrophobicContact CB-CG1 4.47Å
105	A	80.4	Confident	84.6	Confident	47 Å²	47	54.6 Å²	54.6	39%	0.388	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-103.9	8.3	174.6	0	0	0	0	0	113.2	L102 R103 L124 V128	L102-A105 CarbonylContact O-C 3.58Å; L102-A105 WeakPolarHBondContact O-CA 3.3Å; L102-A105 PolarHBondContact O-N 2.91Å; R103-A105 PolarHBondContact O-N 3Å; A105-L124 HydrophobicContact CB-CD1 4.32Å; A105-L124 HydrophobicContact CB-CD2 4.22Å; A105-L124 HydrophobicContact CB-CG 4.35Å; A105-V128 HydrophobicContact CB-CG2 3.72Å
106	G	81.8	Confident	84.8	Confident	72 Å²	72	53.6 Å²	53.6	74%	0.742	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	23.8	174.9	0	0	0	0	0	115.7	L102 R103	L102-G106 PolarHBondContact O-N 3.09Å; L102-G106 VanDerWaalsContact O-N 3.11Å; R103-G106 PolarHBondContact O-N 2.99Å; R103-G106 VanDerWaalsContact O-N 3.14Å
107	T	87.2	Confident	85.1	Confident	45 Å²	45	56.1 Å²	56.1	28%	0.276	29%	0.288	S	S	.	.			trans	-135.1	165.4	176.6	-172.1	0	0	0	0	111.8	L102 R103 L124	L102-T107 CarbonylContact C-O 3.1Å; L102-T107 HydrophobicContact CB-CG2 3.98Å; L102-T107 VanDerWaalsContact CB-O 3.24Å; L102-T107 WeakPolarHBondContact CB-O 3.49Å; L102-T107 HydrophobicContact CD2-CG2 3.87Å; L102-T107 HydrophobicContact CG-CG2 4.34Å; L102-T107 PolarHBondContact O-N 2.85Å; L102-T107 VanDerWaalsContact O-O 3.1Å; R103-T107 PolarHBondContact N-O 2.93Å; T107-L124 HydrophobicContact CG2-CD2 3.63Å
108	Q	87.5	Confident	85	Confident	118 Å²	118	58.5 Å²	58.5	55%	0.551	30%	0.301	S	S	*	.			trans	-145	164	175.3	65.7	-172.8	11.4	0	0	112.4	N99 K121	N99-Q108 WeakPolarHBondContact OD1-CA 3.42Å; Q108-K121 WeakPolarHBondContact O-CE 3.4Å; Q108-K121 PolarHBondContact O-NZ 2.94Å
109	I	88.1	Confident	84.9	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	30%	0.301	C	S	.	.			trans	-111.8	139.6	169.1	66.2	-179.4	0	0	0	109.9	T95 C98 N99 L102 I112 D115 F116 K121	T95-I109 HydrophobicContact CG2-CD1 4.29Å; T95-I109 HydrophobicContact CG2-CG1 3.88Å; C98-I109 HydrophobicContact CB-CD1 3.76Å; C98-I109 HydrophobicContact CB-CG1 4.49Å; N99-I109 PolarHBondContact ND2-O 3.49Å; N99-I109 WeakPolarHBondContact OD1-CG1 3.36Å; N99-I109 PolarHBondContact OD1-N 2.75Å; L102-I109 HydrophobicContact CD1-CG2 4.06Å; I109-I112 HydrophobicContact CD1-CB 4.43Å; I109-I112 HydrophobicContact CD1-CG1 4.17Å; I109-D115 VanDerWaalsContact CA-OD2 3.3Å; I109-D115 WeakPolarHBondContact CA-OD2 3.32Å; I109-D115 HydrophobicContact CB-CB 3.85Å; I109-D115 WeakPolarHBondContact CB-OD2 3.44Å; I109-D115 HydrophobicContact CG2-CB 3.7Å; I109-F116 HydrophobicContact CD1-CD2 4.43Å; I109-F116 HydrophobicContact CD1-CE1 4.38Å; I109-F116 HydrophobicContact CD1-CE2 3.56Å; I109-F116 HydrophobicContact CD1-CZ 3.53Å; I109-F116 HydrophobicContact CG2-CE1 4.28Å; I109-F116 HydrophobicContact CG2-CZ 4.39Å; I109-K121 HydrophobicContact CG2-CB 4.35Å; I109-K121 HydrophobicContact CG2-CD 3.48Å; I109-K121 VanDerWaalsContact CG2-CD 3.48Å
110	E	84.8	Confident	85	Confident	170 Å²	170	60.3 Å²	60.3	79%	0.794	31%	0.31	S	S	*	.	S	Bend	trans	-102.8	-43.3	176.2	-66.7	-178.4	-176.5	0	0	110.5	D115	E110-D115 PolarHBondContact N-OD2 3.34Å
111	N	83.4	Confident	85.2	Confident	65 Å²	65	62 Å²	62	35%	0.348	32%	0.316	S	S	.	.			trans	-125.2	106.1	178.1	-173.4	-13.2	0	0	0	110.4	E113 E114 D115	N111-E113 PolarHBondContact O-N 3.02Å; N111-E113 VanDerWaalsContact O-N 3.13Å; N111-E113 VanDerWaalsContact OD1-CB 3.32Å; N111-E113 WeakPolarHBondContact OD1-CB 3.31Å; N111-E113 PolarHBondContact OD1-N 3.4Å; N111-E114 HydrophobicContact CB-CB 4.4Å; N111-E114 PolarHBondContact O-N 3.34Å; N111-D115 PolarHBondContact N-OD2 2.91Å; N111-D115 VanDerWaalsContact N-OD2 3.08Å; N111-D115 VanDerWaalsContact O-CB 3.28Å; N111-D115 WeakPolarHBondContact O-CB 3.43Å; N111-D115 PolarHBondContact O-N 2.97Å
112	I	83.8	Confident	85.5	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-58.1	-27.1	-178.5	-160	165.4	0	0	0	113.7	F94 T95 I109 F116 L177 T180 L181 I184	F94-I112 HydrophobicContact CB-CD1 3.87Å; T95-I112 WeakPolarHBondContact OG1-CB 3.49Å; I109-I112 HydrophobicContact CD1-CB 4.43Å; I109-I112 HydrophobicContact CD1-CG1 4.17Å; I112-F116 HydrophobicContact CD1-CE2 4.14Å; I112-F116 HydrophobicContact CG1-CD2 3.67Å; I112-F116 HydrophobicContact CG1-CE2 3.59Å; I112-L177 HydrophobicContact CG2-CD1 4.15Å; I112-T180 HydrophobicContact CG1-CG2 4.49Å; I112-L181 HydrophobicContact CD1-CD2 4.18Å; I112-L181 HydrophobicContact CG2-CD2 4.38Å; I112-I184 HydrophobicContact CD1-CG1 4.3Å
113	E	80.6	Confident	85.6	Confident	73 Å²	73	60.4 Å²	60.4	34%	0.341	31%	0.309	S	S	.	.	H	α-helix	trans	-71.4	-35.6	178	-165.5	178.7	155.6	0	0	112.1	N111 R117 G175 L177	N111-E113 PolarHBondContact O-N 3.02Å; N111-E113 VanDerWaalsContact O-N 3.13Å; N111-E113 VanDerWaalsContact OD1-CB 3.32Å; N111-E113 WeakPolarHBondContact OD1-CB 3.31Å; N111-E113 PolarHBondContact OD1-N 3.4Å; E113-R117 VanDerWaalsContact O-CD 3.3Å; E113-R117 WeakPolarHBondContact O-CD 3.28Å; E113-R117 WeakPolarHBondContact O-CG 3.47Å; E113-G175 WeakPolarHBondContact CG-O 3.25Å; E113-L177 HydrophobicContact CB-CD1 4.09Å; E113-L177 HydrophobicContact CG-CB 4.3Å; E113-L177 HydrophobicContact CG-CD1 4.3Å
114	E	84	Confident	85.8	Confident	122 Å²	122	57.8 Å²	57.8	57%	0.57	30%	0.303	S	S	*	.	H	α-helix	trans	-100.1	-40.8	-172.8	-65.3	-169.6	158.7	0	0	112.9	N111 F116 R117	N111-E114 HydrophobicContact CB-CB 4.4Å; N111-E114 PolarHBondContact O-N 3.34Å; E114-F116 VanDerWaalsContact C-N 3.29Å; E114-F116 PolarHBondContact O-N 3.35Å; E114-R117 WeakPolarHBondContact O-CB 3.31Å; E114-R117 VanDerWaalsContact O-CG 3.32Å; E114-R117 WeakPolarHBondContact O-CG 3.4Å; E114-R117 PolarHBondContact O-N 2.93Å; E114-R117 VanDerWaalsContact O-N 3.16Å
115	D	87.4	Confident	86.3	Confident	35 Å²	35	50.7 Å²	50.7	19%	0.187	27%	0.272	C	S	.	.	H	α-helix	trans	-68.8	-26.7	-170.9	-86.2	-49.2	0	0	0	113.8	I109 E110 N111 K121	I109-D115 VanDerWaalsContact CA-OD2 3.3Å; I109-D115 WeakPolarHBondContact CA-OD2 3.32Å; I109-D115 HydrophobicContact CB-CB 3.85Å; I109-D115 WeakPolarHBondContact CB-OD2 3.44Å; I109-D115 HydrophobicContact CG2-CB 3.7Å; E110-D115 PolarHBondContact N-OD2 3.34Å; N111-D115 PolarHBondContact N-OD2 2.91Å; N111-D115 VanDerWaalsContact N-OD2 3.08Å; N111-D115 VanDerWaalsContact O-CB 3.28Å; N111-D115 WeakPolarHBondContact O-CB 3.43Å; N111-D115 PolarHBondContact O-N 2.97Å; D115-K121 HydrophobicContact CB-CD 4.24Å; D115-K121 IonicContact OD1-NZ 2.81Å; D115-K121 PolarHBondContact OD1-NZ 3.33Å; D115-K121 IonicContact OD2-NZ 3.73Å
116	F	89.7	Confident	86.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.8	176.9	-71.4	-44.9	0	0	0	114	C98 I109 I112 E114 N118 G119 K121 L122 L125 T180 I184	C98-F116 HydrophobicContact CB-CZ 4.22Å; I109-F116 HydrophobicContact CD1-CD2 4.43Å; I109-F116 HydrophobicContact CD1-CE1 4.38Å; I109-F116 HydrophobicContact CD1-CE2 3.56Å; I109-F116 HydrophobicContact CD1-CZ 3.53Å; I109-F116 HydrophobicContact CG2-CE1 4.28Å; I109-F116 HydrophobicContact CG2-CZ 4.39Å; I112-F116 HydrophobicContact CD1-CE2 4.14Å; I112-F116 HydrophobicContact CG1-CD2 3.67Å; I112-F116 HydrophobicContact CG1-CE2 3.59Å; E114-F116 VanDerWaalsContact C-N 3.29Å; E114-F116 PolarHBondContact O-N 3.35Å; F116-N118 PolarHBondContact O-N 3.2Å; F116-N118 VanDerWaalsContact O-N 3.09Å; F116-G119 PolarHBondContact O-N 3.05Å; F116-K121 HydrophobicContact CD1-CB 4.13Å; F116-K121 HydrophobicContact CE1-CB 4.1Å; F116-L122 HydrophobicContact CD1-CB 3.8Å; F116-L122 HydrophobicContact CE1-CB 4.26Å; F116-L125 HydrophobicContact CZ-CD2 4.12Å; F116-T180 HydrophobicContact CB-CG2 4.44Å; F116-T180 HydrophobicContact CD2-CG2 4.17Å; F116-I184 HydrophobicContact CD2-CD1 3.99Å; F116-I184 HydrophobicContact CD2-CG1 4.31Å; F116-I184 HydrophobicContact CE2-CD1 3.45Å; F116-I184 VanDerWaalsContact CE2-CD1 3.45Å; F116-I184 HydrophobicContact CE2-CG1 3.94Å; F116-I184 HydrophobicContact CZ-CD1 3.87Å
117	R	88.8	Confident	87	Confident	79 Å²	79	46.6 Å²	46.6	30%	0.298	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.7	-176.6	-60.6	-179.3	69	167.1	7.9	113.6	E113 E114 K146 V173 D174	E113-R117 VanDerWaalsContact O-CD 3.3Å; E113-R117 WeakPolarHBondContact O-CD 3.28Å; E113-R117 WeakPolarHBondContact O-CG 3.47Å; E114-R117 WeakPolarHBondContact O-CB 3.31Å; E114-R117 VanDerWaalsContact O-CG 3.32Å; E114-R117 WeakPolarHBondContact O-CG 3.4Å; E114-R117 PolarHBondContact O-N 2.93Å; E114-R117 VanDerWaalsContact O-N 3.16Å; R117-K146 WeakPolarHBondContact O-CB 3.34Å; R117-V173 VanDerWaalsContact CZ-O 3.27Å; R117-V173 PolarHBondContact NE-O 3.05Å; R117-V173 PolarHBondContact NH2-O 3.03Å; R117-D174 PolarHBondContact NH2-O 2.66Å
118	N	84.5	Confident	87	Confident	52 Å²	52	46.6 Å²	46.6	28%	0.278	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.1	178.7	70.6	20.4	0	0	0	114	F116 L120 K146 N149	F116-N118 PolarHBondContact O-N 3.2Å; F116-N118 VanDerWaalsContact O-N 3.09Å; N118-L120 PolarHBondContact O-N 3.27Å; N118-L120 VanDerWaalsContact O-N 3.14Å; N118-L120 WeakPolarHBondContact OD1-CB 3.4Å; N118-L120 PolarHBondContact OD1-N 2.88Å; N118-K146 HydrophobicContact CB-CD 4.46Å; N118-K146 HydrophobicContact CB-CG 4.36Å; N118-N149 WeakPolarHBondContact O-CB 3.47Å; N118-N149 PolarHBondContact O-ND2 2.92Å
119	G	85.3	Confident	87	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	73.4	-16	-178.3	0	0	0	0	0	116	F116 L122 M123	F116-G119 PolarHBondContact O-N 3.05Å; G119-L122 PolarHBondContact O-N 3.35Å; G119-M123 VanDerWaalsContact O-CG 3.25Å; G119-M123 WeakPolarHBondContact O-CG 3.38Å; G119-M123 PolarHBondContact O-N 2.65Å
120	L	88.9	Confident	86.7	Confident	71 Å²	71	44 Å²	44	37%	0.372	22%	0.217	S	C	.	.	H	α-helix	trans	-68.5	-50.2	-173.2	-60.4	-179.6	0	0	0	112.6	N118 L122 M123 L124 P137 N149	N118-L120 PolarHBondContact O-N 3.27Å; N118-L120 VanDerWaalsContact O-N 3.14Å; N118-L120 WeakPolarHBondContact OD1-CB 3.4Å; N118-L120 PolarHBondContact OD1-N 2.88Å; L120-L122 PolarHBondContact O-N 3.4Å; L120-M123 PolarHBondContact O-N 2.86Å; L120-L124 PolarHBondContact O-N 3.23Å; L120-P137 HydrophobicContact CD2-CB 3.26Å; L120-P137 HydrophobicContact CD2-CG 3.89Å; L120-N149 WeakPolarHBondContact CD2-ND2 3.39Å
121	K	89.3	Confident	86.5	Confident	47 Å²	47	39.3 Å²	39.3	20%	0.204	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-30.5	178.6	-66.3	-169.9	-176.3	174.7	0	111.5	Q108 I109 D115 F116 L125	Q108-K121 WeakPolarHBondContact O-CE 3.4Å; Q108-K121 PolarHBondContact O-NZ 2.94Å; I109-K121 HydrophobicContact CG2-CB 4.35Å; I109-K121 HydrophobicContact CG2-CD 3.48Å; I109-K121 VanDerWaalsContact CG2-CD 3.48Å; D115-K121 HydrophobicContact CB-CD 4.24Å; D115-K121 IonicContact OD1-NZ 2.81Å; D115-K121 PolarHBondContact OD1-NZ 3.33Å; D115-K121 IonicContact OD2-NZ 3.73Å; F116-K121 HydrophobicContact CD1-CB 4.13Å; F116-K121 HydrophobicContact CE1-CB 4.1Å; K121-L125 WeakPolarHBondContact O-CB 3.31Å; K121-L125 PolarHBondContact O-N 3.48Å
122	L	89.4	Confident	86.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.6	-46.7	174.7	179.7	64.2	0	0	0	111.5	F116 G119 L120 L124 L125 L126 A153 M183 I184 I187	F116-L122 HydrophobicContact CD1-CB 3.8Å; F116-L122 HydrophobicContact CE1-CB 4.26Å; G119-L122 PolarHBondContact O-N 3.35Å; L120-L122 PolarHBondContact O-N 3.4Å; L122-L124 VanDerWaalsContact C-N 3.35Å; L122-L124 PolarHBondContact O-N 2.88Å; L122-L125 PolarHBondContact O-N 3.29Å; L122-L126 WeakPolarHBondContact O-CG 3.07Å; L122-L126 PolarHBondContact O-N 3.46Å; L122-L126 VanDerWaalsContact O-N 3.1Å; L122-A153 HydrophobicContact CD2-CB 3.63Å; L122-A153 HydrophobicContact CG-CB 3.83Å; L122-M183 HydrophobicContact CD1-CE 3.56Å; L122-M183 HydrophobicContact CD1-SD 4.27Å; L122-M183 HydrophobicContact CD2-CE 3.59Å; L122-M183 HydrophobicContact CD2-SD 3.63Å; L122-M183 HydrophobicContact CG-CE 4.21Å; L122-I184 HydrophobicContact CD1-CD1 4.05Å; L122-I187 HydrophobicContact CD1-CD1 3.82Å
123	M	89.6	Confident	86.4	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.03	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-44.7	175.5	-70.8	176.1	75.8	0	0	111.5	G119 L120 L125 L126 E127 L134 P135 P137 N149 K152 A153	G119-M123 VanDerWaalsContact O-CG 3.25Å; G119-M123 WeakPolarHBondContact O-CG 3.38Å; G119-M123 PolarHBondContact O-N 2.65Å; L120-M123 PolarHBondContact O-N 2.86Å; M123-L125 PolarHBondContact O-N 3.14Å; M123-L126 WeakPolarHBondContact O-CB 3.31Å; M123-L126 PolarHBondContact O-N 3.16Å; M123-E127 PolarHBondContact O-N 3.46Å; M123-L134 HydrophobicContact CB-CD2 4.23Å; M123-L134 HydrophobicContact CE-CB 4.17Å; M123-L134 HydrophobicContact CE-CD2 4.42Å; M123-L134 HydrophobicContact CG-CD2 4.24Å; M123-P135 WeakPolarHBondContact CE-O 3.37Å; M123-P137 HydrophobicContact CE-CB 4.42Å; M123-P137 HydrophobicContact SD-CB 4.09Å; M123-N149 HydrophobicContact SD-CB 4.03Å; M123-K152 HydrophobicContact CE-CB 3.84Å; M123-K152 HydrophobicContact CE-CD 4.05Å; M123-K152 HydrophobicContact SD-CB 4.22Å; M123-A153 HydrophobicContact CG-CB 3.86Å
124	L	88.7	Confident	86.7	Confident	54 Å²	54	47.6 Å²	47.6	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-40.7	178.2	-177.2	62.6	0	0	0	112.2	L102 A105 T107 L120 L122 L126 E127 V128	L102-L124 HydrophobicContact CD2-CB 4.46Å; L102-L124 HydrophobicContact CD2-CD2 4.29Å; L102-L124 HydrophobicContact CD2-CG 4.18Å; A105-L124 HydrophobicContact CB-CD1 4.32Å; A105-L124 HydrophobicContact CB-CD2 4.22Å; A105-L124 HydrophobicContact CB-CG 4.35Å; T107-L124 HydrophobicContact CG2-CD2 3.63Å; L120-L124 PolarHBondContact O-N 3.23Å; L122-L124 VanDerWaalsContact C-N 3.35Å; L122-L124 PolarHBondContact O-N 2.88Å; L124-L126 VanDerWaalsContact C-N 3.29Å; L124-L126 PolarHBondContact O-N 3.4Å; L124-E127 PolarHBondContact O-N 3.3Å; L124-V128 HydrophobicContact CD1-CG2 4.48Å; L124-V128 WeakPolarHBondContact O-CG2 3.48Å; L124-V128 PolarHBondContact O-N 2.87Å
125	L	89.5	Confident	86.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.8	-44.9	173.9	176.9	64.9	0	0	0	111	W97 C98 H101 L102 F116 K121 L122 M123 E127 V128 I129 I184	W97-L125 HydrophobicContact CZ3-CD1 4.42Å; W97-L125 HydrophobicContact CZ3-CD2 4.29Å; C98-L125 HydrophobicContact CB-CD1 4.45Å; C98-L125 HydrophobicContact CB-CD2 4.15Å; C98-L125 VanDerWaalsContact SG-CD2 3.56Å; H101-L125 HydrophobicContact CB-CD1 3.83Å; L102-L125 HydrophobicContact CD2-CB 3.99Å; L102-L125 HydrophobicContact CD2-CD1 4.42Å; L102-L125 HydrophobicContact CG-CB 4.43Å; L102-L125 HydrophobicContact CG-CD1 4.13Å; F116-L125 HydrophobicContact CZ-CD2 4.12Å; K121-L125 WeakPolarHBondContact O-CB 3.31Å; K121-L125 PolarHBondContact O-N 3.48Å; L122-L125 PolarHBondContact O-N 3.29Å; M123-L125 PolarHBondContact O-N 3.14Å; L125-E127 PolarHBondContact O-N 3.4Å; L125-V128 PolarHBondContact O-N 2.93Å; L125-I129 HydrophobicContact CD1-CG2 4.14Å; L125-I129 WeakPolarHBondContact O-CG1 3.47Å; L125-I129 WeakPolarHBondContact O-CG2 3.09Å; L125-I129 PolarHBondContact O-N 2.9Å; L125-I184 HydrophobicContact CD2-CD1 4.4Å
126	L	88.4	Confident	86.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-38.4	177.5	-68	169.8	0	0	0	112.7	L122 M123 L124 I129 S130 L134 A153 F156 I157 I187 F191	L122-L126 WeakPolarHBondContact O-CG 3.07Å; L122-L126 PolarHBondContact O-N 3.46Å; L122-L126 VanDerWaalsContact O-N 3.1Å; M123-L126 WeakPolarHBondContact O-CB 3.31Å; M123-L126 PolarHBondContact O-N 3.16Å; L124-L126 VanDerWaalsContact C-N 3.29Å; L124-L126 PolarHBondContact O-N 3.4Å; L126-I129 HydrophobicContact CD2-CD1 4.02Å; L126-I129 WeakPolarHBondContact O-CG1 3.29Å; L126-S130 VanDerWaalsContact O-CB 3.3Å; L126-S130 WeakPolarHBondContact O-CB 3.49Å; L126-S130 PolarHBondContact O-N 3.26Å; L126-S130 VanDerWaalsContact O-N 3.13Å; L126-S130 PolarHBondContact O-OG 2.97Å; L126-L134 HydrophobicContact CB-CD1 4.01Å; L126-L134 HydrophobicContact CB-CD2 4.14Å; L126-L134 HydrophobicContact CD1-CD2 4.07Å; L126-A153 HydrophobicContact CD1-CB 3.76Å; L126-F156 HydrophobicContact CB-CD1 4.01Å; L126-F156 HydrophobicContact CB-CE1 4.06Å; L126-F156 HydrophobicContact CD1-CD1 4.02Å; L126-F156 HydrophobicContact CD2-CD1 4.31Å; L126-F156 HydrophobicContact CG-CD1 4.34Å; L126-I157 HydrophobicContact CD1-CD1 3.92Å; L126-I157 HydrophobicContact CD1-CG1 3.79Å; L126-I157 HydrophobicContact CD2-CD1 4.15Å; L126-I157 HydrophobicContact CD2-CG1 3.7Å; L126-I157 HydrophobicContact CG-CG1 4.41Å; L126-I187 HydrophobicContact CD2-CD1 4.07Å; L126-I187 HydrophobicContact CD2-CG1 4.24Å; L126-I187 HydrophobicContact CD2-CG2 4.07Å; L126-F191 HydrophobicContact CD2-CE2 4.27Å
127	E	88.6	Confident	86.3	Confident	34 Å²	34	57.1 Å²	57.1	16%	0.159	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-45.5	174.2	-66.5	-164.6	164.7	0	0	111.4	M123 L124 L125 G131 E132 R133 L134	M123-E127 PolarHBondContact O-N 3.46Å; L124-E127 PolarHBondContact O-N 3.3Å; L125-E127 PolarHBondContact O-N 3.4Å; E127-G131 WeakPolarHBondContact O-CA 3.37Å; E127-G131 PolarHBondContact O-N 3.05Å; E127-E132 VanDerWaalsContact CA-O 3.25Å; E127-E132 WeakPolarHBondContact CA-O 3.32Å; E127-E132 WeakPolarHBondContact CB-O 3.39Å; E127-E132 WeakPolarHBondContact CG-O 3.4Å; E127-R133 IonicContact OE2-CZ 3.7Å; E127-R133 IonicContact OE2-NH1 3.31Å; E127-R133 PolarHBondContact OE2-NH1 2.88Å; E127-L134 HydrophobicContact CB-CD1 4.41Å; E127-L134 HydrophobicContact CG-CB 4.1Å; E127-L134 HydrophobicContact CG-CD1 3.56Å; E127-L134 HydrophobicContact CG-CG 4.4Å; E127-L134 PolarHBondContact OE1-N 3.11Å
128	V	87.3	Confident	86.2	Confident	45 Å²	45	56.1 Å²	56.1	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-68.2	-40.4	-175.9	175	0	0	0	0	112.1	H101 K104 A105 L124 L125	H101-V128 HydrophobicContact CB-CG1 4.24Å; H101-V128 WeakPolarHBondContact O-CG1 3.46Å; K104-V128 HydrophobicContact CB-CG1 4.47Å; A105-V128 HydrophobicContact CB-CG2 3.72Å; L124-V128 HydrophobicContact CD1-CG2 4.48Å; L124-V128 WeakPolarHBondContact O-CG2 3.48Å; L124-V128 PolarHBondContact O-N 2.87Å; L125-V128 PolarHBondContact O-N 2.93Å
129	I	86.5	Confident	85.8	Confident	32 Å²	32	63.4 Å²	63.4	16%	0.164	32%	0.317	C	S	.	.	H	α-helix	trans	-77.1	-29	-178.9	67.4	-176.4	0	0	0	112.8	W97 H101 L125 L126 I187 F191	W97-I129 HydrophobicContact CH2-CD1 4.37Å; W97-I129 HydrophobicContact CH2-CG2 4.18Å; H101-I129 HydrophobicContact CB-CG2 4.06Å; L125-I129 HydrophobicContact CD1-CG2 4.14Å; L125-I129 WeakPolarHBondContact O-CG1 3.47Å; L125-I129 WeakPolarHBondContact O-CG2 3.09Å; L125-I129 PolarHBondContact O-N 2.9Å; L126-I129 HydrophobicContact CD2-CD1 4.02Å; L126-I129 WeakPolarHBondContact O-CG1 3.29Å; I129-I187 HydrophobicContact CD1-CG2 3.41Å; I129-I187 VanDerWaalsContact CD1-CG2 3.41Å; I129-F191 HydrophobicContact CD1-CB 3.96Å; I129-F191 HydrophobicContact CD1-CD1 4.23Å; I129-F191 HydrophobicContact CD1-CD2 3.67Å; I129-F191 HydrophobicContact CD1-CE2 4.15Å; I129-F191 HydrophobicContact CD1-CG 3.7Å; I129-F191 HydrophobicContact CG1-CB 4.4Å; I129-F191 HydrophobicContact CG1-CD1 4.15Å; I129-F191 HydrophobicContact CG1-CD2 4.44Å; I129-F191 HydrophobicContact CG1-CG 4.09Å
130	S	82.4	Confident	85.2	Confident	33 Å²	33	64.7 Å²	64.7	23%	0.231	33%	0.331	C	S	.	.	H	α-helix	trans	-92.4	-23.2	-179.6	65.2	0	0	0	0	113.6	L126 E132	L126-S130 VanDerWaalsContact O-CB 3.3Å; L126-S130 WeakPolarHBondContact O-CB 3.49Å; L126-S130 PolarHBondContact O-N 3.26Å; L126-S130 VanDerWaalsContact O-N 3.13Å; L126-S130 PolarHBondContact O-OG 2.97Å; S130-E132 PolarHBondContact O-N 3.5Å; S130-E132 PolarHBondContact OG-N 3.49Å
131	G	80.7	Confident	84.6	Confident	72 Å²	72	70.9 Å²	70.9	74%	0.742	35%	0.354	S	S	*	.	S	Bend	trans	73.8	4.1	-169.4	0	0	0	0	0	114	E127	E127-G131 WeakPolarHBondContact O-CA 3.37Å; E127-G131 PolarHBondContact O-N 3.05Å
132	E	83.9	Confident	84.3	Confident	91 Å²	91	74.5 Å²	74.5	43%	0.425	37%	0.374	S	S	.	.			trans	-104.9	151.3	-178.3	-66.4	177.9	-152.1	0	0	111.9	E127 S130 F156 K160	E127-E132 VanDerWaalsContact CA-O 3.25Å; E127-E132 WeakPolarHBondContact CA-O 3.32Å; E127-E132 WeakPolarHBondContact CB-O 3.39Å; E127-E132 WeakPolarHBondContact CG-O 3.4Å; S130-E132 PolarHBondContact O-N 3.5Å; S130-E132 PolarHBondContact OG-N 3.49Å; E132-F156 HydrophobicContact CB-CZ 4.44Å; E132-K160 IonicContact OE1-NZ 2.7Å; E132-K160 PolarHBondContact OE1-NZ 2.94Å; E132-K160 WeakPolarHBondContact OE2-CE 3.33Å; E132-K160 IonicContact OE2-NZ 2.82Å; E132-K160 PolarHBondContact OE2-NZ 3.37Å
133	R	81.1	Confident	84.2	Confident	212 Å²	212	79.5 Å²	79.5	80%	0.8	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-87.7	131	177.6	-69.8	-65.4	-168.1	179	0.3	111.2	E127	E127-R133 IonicContact OE2-CZ 3.7Å; E127-R133 IonicContact OE2-NH1 3.31Å; E127-R133 PolarHBondContact OE2-NH1 2.88Å
134	L	86.3	Confident	84	Confident	14 Å²	14	84.9 Å²	84.9	7%	0.073	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-88.6	163	175.4	-88.2	80	0	0	0	111.2	M123 L126 E127 F156	M123-L134 HydrophobicContact CB-CD2 4.23Å; M123-L134 HydrophobicContact CE-CB 4.17Å; M123-L134 HydrophobicContact CE-CD2 4.42Å; M123-L134 HydrophobicContact CG-CD2 4.24Å; L126-L134 HydrophobicContact CB-CD1 4.01Å; L126-L134 HydrophobicContact CB-CD2 4.14Å; L126-L134 HydrophobicContact CD1-CD2 4.07Å; E127-L134 HydrophobicContact CB-CD1 4.41Å; E127-L134 HydrophobicContact CG-CB 4.1Å; E127-L134 HydrophobicContact CG-CD1 3.56Å; E127-L134 HydrophobicContact CG-CG 4.4Å; E127-L134 PolarHBondContact OE1-N 3.11Å; L134-F156 HydrophobicContact CD1-CD1 4.03Å; L134-F156 HydrophobicContact CD1-CD2 3.96Å; L134-F156 HydrophobicContact CD1-CE1 3.94Å; L134-F156 HydrophobicContact CD1-CE2 3.88Å; L134-F156 HydrophobicContact CD1-CG 4.02Å; L134-F156 HydrophobicContact CD1-CZ 3.85Å; L134-F156 HydrophobicContact CD2-CB 3.84Å; L134-F156 HydrophobicContact CD2-CD1 4.19Å; L134-F156 HydrophobicContact CD2-CD2 4.37Å; L134-F156 HydrophobicContact CD2-CG 3.88Å; L134-F156 HydrophobicContact CG-CB 4.27Å; L134-F156 HydrophobicContact CG-CD1 4.35Å; L134-F156 HydrophobicContact CG-CD2 3.89Å; L134-F156 HydrophobicContact CG-CE2 4.28Å; L134-F156 HydrophobicContact CG-CG 3.91Å
135	P	83.9	Confident	83.8	Confident	79 Å²	79	84.5 Å²	84.5	51%	0.513	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-55.5	147.1	174.1	-24.7	34.3	0	0	0	112.1	M123 K152	M123-P135 WeakPolarHBondContact CE-O 3.37Å; P135-K152 HydrophobicContact CB-CD 4.39Å
136	R	83.9	Confident	83.8	Confident	226 Å²	226	87.9 Å²	87.9	85%	0.853	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-57.7	133.2	-177.1	-70.8	-175.6	178.8	179.8	0.7	111.3	K152	R136-K152 PolarHBondContact O-NZ 3.03Å
137	P	86.4	Confident	83.8	Confident	53 Å²	53	88.9 Å²	88.9	34%	0.344	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-73.5	148.2	178.9	27.7	-33.1	0	0	0	112	L120 M123 N149	L120-P137 HydrophobicContact CD2-CB 3.26Å; L120-P137 HydrophobicContact CD2-CG 3.89Å; M123-P137 HydrophobicContact CE-CB 4.42Å; M123-P137 HydrophobicContact SD-CB 4.09Å; P137-N149 WeakPolarHBondContact CA-OD1 3.39Å
138	D	85.8	Confident	83.8	Confident	58 Å²	58	88.7 Å²	88.7	31%	0.31	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-79.9	125.9	174.8	-54.8	-40.4	0	0	0	109.5	G140 H145 A148 N149 K152	D138-G140 PolarHBondContact O-N 3.49Å; D138-H145 HydrophobicContact CB-CB 4.46Å; D138-A148 WeakPolarHBondContact OD2-CB 3.37Å; D138-N149 PolarHBondContact N-OD1 3.24Å; D138-N149 PolarHBondContact O-ND2 3.49Å; D138-K152 IonicContact OD1-NZ 3.77Å; D138-K152 PolarHBondContact OD1-NZ 2.87Å; D138-K152 IonicContact OD2-NZ 3.83Å; D138-K152 PolarHBondContact OD2-NZ 3.03Å
139	K	75.3	Confident	83.9	Confident	205 Å²	205	86.7 Å²	86.7	89%	0.891	43%	0.425	S	S	*	.			trans	-90.2	19	-168.5	-64.2	-173.8	178.3	-177.8	0	115.1
140	G	74.3	Confident	84.1	Confident	27 Å²	27	85.2 Å²	85.2	28%	0.278	42%	0.417	S	S	.	.			trans	-91.6	150.4	-175.2	0	0	0	0	0	114.6	D138 H145	D138-G140 PolarHBondContact O-N 3.49Å; G140-H145 WeakPolarHBondContact CA-ND1 3.25Å; G140-H145 WeakPolarHBondContact O-CB 3.39Å
141	K	75.4	Confident	84.5	Confident	200 Å²	200	86.8 Å²	86.8	87%	0.87	42%	0.423	S	S	*	.			trans	-82.9	-17.9	-179.9	-66	-174.1	-179.5	-178.8	0	114.3
142	M	83.1	Confident	85	Confident	123 Å²	123	85.6 Å²	85.6	61%	0.606	40%	0.397	S	S	*	.	S	Bend	trans	-68.8	150.2	-177.5	-59.9	179.6	74.3	0	0	112.2	F144 H145 K146	M142-F144 VanDerWaalsContact C-N 3.28Å; M142-F144 HydrophobicContact CB-CD1 3.81Å; M142-F144 HydrophobicContact CB-CE1 3.81Å; M142-F144 HydrophobicContact CE-CD1 4.43Å; M142-F144 HydrophobicContact CE-CE1 4.13Å; M142-F144 HydrophobicContact CG-CE1 4.37Å; M142-F144 PolarHBondContact O-N 2.98Å; M142-F144 HydrophobicContact SD-CD1 4.42Å; M142-F144 HydrophobicContact SD-CE1 3.7Å; M142-H145 WeakPolarHBondContact O-CB 3.46Å; M142-H145 PolarHBondContact O-N 3.45Å; M142-K146 PolarHBondContact O-N 3.3Å
143	R	86.4	Confident	85.3	Confident	105 Å²	105	81.3 Å²	81.3	40%	0.396	38%	0.377	S	S	.	.	H	α-helix	trans	-51.7	-41.2	-176.6	-173.5	177	178.6	-89.6	2.4	113.4	H145 K146 I147 E170 V173 D174	R143-H145 VanDerWaalsContact C-N 3.33Å; R143-H145 PolarHBondContact O-N 3.33Å; R143-K146 WeakPolarHBondContact O-CB 3.31Å; R143-K146 PolarHBondContact O-N 2.81Å; R143-K146 VanDerWaalsContact O-N 3.16Å; R143-I147 HydrophobicContact CG-CD1 3.99Å; R143-I147 VanDerWaalsContact NH1-CD1 3.31Å; R143-I147 WeakPolarHBondContact O-CG1 3.43Å; R143-I147 PolarHBondContact O-N 3.26Å; R143-E170 IonicContact CZ-OE2 2.88Å; R143-E170 IonicContact NH1-OE1 3.81Å; R143-E170 IonicContact NH1-OE2 3.19Å; R143-E170 PolarHBondContact NH1-OE2 3.31Å; R143-E170 IonicContact NH2-OE2 2.89Å; R143-E170 PolarHBondContact NH2-OE2 3.03Å; R143-V173 HydrophobicContact CG-CG1 4.03Å; R143-D174 IonicContact CZ-OD1 2.86Å; R143-D174 IonicContact CZ-OD2 3.37Å; R143-D174 IonicContact NE-OD1 2.75Å; R143-D174 PolarHBondContact NE-OD1 3.15Å; R143-D174 IonicContact NH2-OD1 3.23Å; R143-D174 PolarHBondContact NH2-OD1 3.07Å; R143-D174 IonicContact NH2-OD2 3Å; R143-D174 PolarHBondContact NH2-OD2 3.43Å
144	F	85.4	Confident	85.7	Confident	120 Å²	120	71.6 Å²	71.6	53%	0.526	34%	0.341	S	S	.	.	H	α-helix	trans	-65.3	-31.5	-179.3	81.6	-94	0	0	0	113.7	M142 I147 A148	M142-F144 VanDerWaalsContact C-N 3.28Å; M142-F144 HydrophobicContact CB-CD1 3.81Å; M142-F144 HydrophobicContact CB-CE1 3.81Å; M142-F144 HydrophobicContact CE-CD1 4.43Å; M142-F144 HydrophobicContact CE-CE1 4.13Å; M142-F144 HydrophobicContact CG-CE1 4.37Å; M142-F144 PolarHBondContact O-N 2.98Å; M142-F144 HydrophobicContact SD-CD1 4.42Å; M142-F144 HydrophobicContact SD-CE1 3.7Å; F144-I147 PolarHBondContact O-N 2.9Å; F144-A148 WeakPolarHBondContact O-CB 3Å; F144-A148 PolarHBondContact O-N 2.81Å
145	H	86.2	Confident	85.7	Confident	45 Å²	45	76.1 Å²	76.1	21%	0.208	37%	0.365	C	S	.	.	H	α-helix	trans	-67.5	-37.8	174.4	-61.5	113.5	0	0	0	111.5	D138 G140 M142 R143 A148 N149	D138-H145 HydrophobicContact CB-CB 4.46Å; G140-H145 WeakPolarHBondContact CA-ND1 3.25Å; G140-H145 WeakPolarHBondContact O-CB 3.39Å; M142-H145 WeakPolarHBondContact O-CB 3.46Å; M142-H145 PolarHBondContact O-N 3.45Å; R143-H145 VanDerWaalsContact C-N 3.33Å; R143-H145 PolarHBondContact O-N 3.33Å; H145-A148 PolarHBondContact O-N 2.98Å; H145-N149 PolarHBondContact O-N 3.42Å; H145-N149 PolarHBondContact O-ND2 3.3Å
146	K	89.3	Confident	85.9	Confident	71 Å²	71	73.4 Å²	73.4	31%	0.309	35%	0.345	S	S	.	.	H	α-helix	trans	-64.1	-43.5	174.9	-60.4	-175.1	-179.5	-178.1	0	110.9	R117 N118 M142 R143 N149 V150 V173	R117-K146 WeakPolarHBondContact O-CB 3.34Å; N118-K146 HydrophobicContact CB-CD 4.46Å; N118-K146 HydrophobicContact CB-CG 4.36Å; M142-K146 PolarHBondContact O-N 3.3Å; R143-K146 WeakPolarHBondContact O-CB 3.31Å; R143-K146 PolarHBondContact O-N 2.81Å; R143-K146 VanDerWaalsContact O-N 3.16Å; K146-N149 PolarHBondContact O-N 3.42Å; K146-V150 WeakPolarHBondContact O-CG2 3.46Å; K146-V150 PolarHBondContact O-N 3.35Å; K146-V173 HydrophobicContact CB-CG1 3.83Å; K146-V173 HydrophobicContact CB-CG2 3.99Å; K146-V173 HydrophobicContact CD-CG1 4.25Å
147	I	87.6	Confident	86.1	Confident	21 Å²	21	62.6 Å²	62.6	11%	0.108	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-44	175.4	-67	165.5	0	0	0	110.8	R143 F144 N149 V150 N151 A169 E170 V173	R143-I147 HydrophobicContact CG-CD1 3.99Å; R143-I147 VanDerWaalsContact NH1-CD1 3.31Å; R143-I147 WeakPolarHBondContact O-CG1 3.43Å; R143-I147 PolarHBondContact O-N 3.26Å; F144-I147 PolarHBondContact O-N 2.9Å; I147-N149 PolarHBondContact O-N 3.24Å; I147-V150 PolarHBondContact O-N 2.96Å; I147-N151 WeakPolarHBondContact CG2-ND2 3.41Å; I147-N151 WeakPolarHBondContact O-CB 3.43Å; I147-N151 PolarHBondContact O-N 3.35Å; I147-N151 PolarHBondContact O-ND2 3.13Å; I147-A169 HydrophobicContact CG2-CB 4.16Å; I147-E170 WeakPolarHBondContact CD1-OE1 3.25Å; I147-V173 HydrophobicContact CB-CG2 4.45Å; I147-V173 HydrophobicContact CG1-CB 4.1Å; I147-V173 HydrophobicContact CG1-CG1 4.16Å; I147-V173 HydrophobicContact CG1-CG2 3.77Å
148	A	88.2	Confident	86	Confident	31 Å²	31	62.3 Å²	62.3	26%	0.256	31%	0.307	S	S	.	.	H	α-helix	trans	-60.6	-42.7	177	0	0	0	0	0	112.6	D138 F144 H145 N151 K152	D138-A148 WeakPolarHBondContact OD2-CB 3.37Å; F144-A148 WeakPolarHBondContact O-CB 3Å; F144-A148 PolarHBondContact O-N 2.81Å; H145-A148 PolarHBondContact O-N 2.98Å; A148-N151 PolarHBondContact O-N 3.06Å; A148-K152 WeakPolarHBondContact O-CG 3.46Å; A148-K152 PolarHBondContact O-N 3.3Å
149	N	90.7	Very high	85.9	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-66.7	-42.7	176.4	-70	-25.1	0	0	0	112.7	N118 L120 M123 P137 D138 H145 K146 I147 K152 A153	N118-N149 WeakPolarHBondContact O-CB 3.47Å; N118-N149 PolarHBondContact O-ND2 2.92Å; L120-N149 WeakPolarHBondContact CD2-ND2 3.39Å; M123-N149 HydrophobicContact SD-CB 4.03Å; P137-N149 WeakPolarHBondContact CA-OD1 3.39Å; D138-N149 PolarHBondContact N-OD1 3.24Å; D138-N149 PolarHBondContact O-ND2 3.49Å; H145-N149 PolarHBondContact O-N 3.42Å; H145-N149 PolarHBondContact O-ND2 3.3Å; K146-N149 PolarHBondContact O-N 3.42Å; I147-N149 PolarHBondContact O-N 3.24Å; N149-K152 PolarHBondContact O-N 2.86Å; N149-A153 PolarHBondContact O-N 3.33Å; N149-A153 VanDerWaalsContact O-N 3.13Å
150	V	90.3	Very high	86.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-40.4	175.2	174.4	0	0	0	0	110.7	K146 I147 K152 A153 L154 A169 I172 V173	K146-V150 WeakPolarHBondContact O-CG2 3.46Å; K146-V150 PolarHBondContact O-N 3.35Å; I147-V150 PolarHBondContact O-N 2.96Å; V150-K152 PolarHBondContact O-N 3.22Å; V150-A153 WeakPolarHBondContact O-CB 3.37Å; V150-A153 PolarHBondContact O-N 3.49Å; V150-A153 VanDerWaalsContact O-N 3.13Å; V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 HydrophobicContact CG1-CG 4.09Å; V150-L154 WeakPolarHBondContact O-CG 3.35Å; V150-L154 PolarHBondContact O-N 3.1Å; V150-A169 HydrophobicContact CB-CB 4.05Å; V150-A169 HydrophobicContact CG1-CB 3.68Å; V150-I172 HydrophobicContact CG1-CB 3.92Å; V150-I172 HydrophobicContact CG1-CG1 4.13Å; V150-I172 HydrophobicContact CG1-CG2 4.15Å; V150-I172 HydrophobicContact CG2-CG2 4.24Å; V150-V173 HydrophobicContact CB-CG2 4.29Å; V150-V173 HydrophobicContact CG2-CG2 3.79Å
151	N	90.5	Very high	86.4	Confident	66 Å²	66	57.9 Å²	57.9	35%	0.353	30%	0.304	S	S	.	.	H	α-helix	trans	-59.6	-45.8	174.1	-81.6	-36.6	0	0	0	111.6	I147 A148 A153 L154 D155 A169	I147-N151 WeakPolarHBondContact CG2-ND2 3.41Å; I147-N151 WeakPolarHBondContact O-CB 3.43Å; I147-N151 PolarHBondContact O-N 3.35Å; I147-N151 PolarHBondContact O-ND2 3.13Å; A148-N151 PolarHBondContact O-N 3.06Å; N151-A153 PolarHBondContact O-N 3.21Å; N151-L154 PolarHBondContact O-N 3.35Å; N151-L154 VanDerWaalsContact O-N 3.11Å; N151-D155 WeakPolarHBondContact O-CB 3.4Å; N151-D155 PolarHBondContact O-N 2.79Å; N151-A169 WeakPolarHBondContact OD1-CB 3.47Å
152	K	90.6	Very high	86.6	Confident	48 Å²	48	49.1 Å²	49.1	21%	0.209	27%	0.268	C	S	.	.	H	α-helix	trans	-55.4	-39.8	174.1	-72.8	168.2	-179.5	167.4	0	112.1	M123 P135 R136 D138 A148 N149 V150 F156	M123-K152 HydrophobicContact CE-CB 3.84Å; M123-K152 HydrophobicContact CE-CD 4.05Å; M123-K152 HydrophobicContact SD-CB 4.22Å; P135-K152 HydrophobicContact CB-CD 4.39Å; R136-K152 PolarHBondContact O-NZ 3.03Å; D138-K152 IonicContact OD1-NZ 3.77Å; D138-K152 PolarHBondContact OD1-NZ 2.87Å; D138-K152 IonicContact OD2-NZ 3.83Å; D138-K152 PolarHBondContact OD2-NZ 3.03Å; A148-K152 WeakPolarHBondContact O-CG 3.46Å; A148-K152 PolarHBondContact O-N 3.3Å; N149-K152 PolarHBondContact O-N 2.86Å; V150-K152 PolarHBondContact O-N 3.22Å; K152-F156 PolarHBondContact O-N 3.5Å
153	A	89.6	Confident	86.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-69.3	-44.8	175.4	0	0	0	0	0	112.6	L122 M123 L126 N149 V150 N151 F156 I157	L122-A153 HydrophobicContact CD2-CB 3.63Å; L122-A153 HydrophobicContact CG-CB 3.83Å; M123-A153 HydrophobicContact CG-CB 3.86Å; L126-A153 HydrophobicContact CD1-CB 3.76Å; N149-A153 PolarHBondContact O-N 3.33Å; N149-A153 VanDerWaalsContact O-N 3.13Å; V150-A153 WeakPolarHBondContact O-CB 3.37Å; V150-A153 PolarHBondContact O-N 3.49Å; V150-A153 VanDerWaalsContact O-N 3.13Å; N151-A153 PolarHBondContact O-N 3.21Å; A153-F156 PolarHBondContact O-N 3.49Å; A153-I157 WeakPolarHBondContact O-CD1 3.24Å; A153-I157 VanDerWaalsContact O-CG1 3.25Å; A153-I157 WeakPolarHBondContact O-CG1 3.46Å; A153-I157 PolarHBondContact O-N 2.93Å
154	L	89.5	Confident	85.8	Confident	9 Å²	9	49.4 Å²	49.4	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-39.7	178.7	-68.4	-179.4	0	0	0	112	V150 N151 F156 I157 A158 L164 A169 M183	V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 HydrophobicContact CG1-CG 4.09Å; V150-L154 WeakPolarHBondContact O-CG 3.35Å; V150-L154 PolarHBondContact O-N 3.1Å; N151-L154 PolarHBondContact O-N 3.35Å; N151-L154 VanDerWaalsContact O-N 3.11Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 2.95Å; L154-I157 HydrophobicContact CD2-CD1 4.34Å; L154-I157 PolarHBondContact O-N 3.41Å; L154-A158 WeakPolarHBondContact O-CB 3.27Å; L154-A158 PolarHBondContact O-N 3.27Å; L154-L164 HydrophobicContact CB-CD1 3.98Å; L154-L164 HydrophobicContact CD2-CD1 3.98Å; L154-L164 HydrophobicContact CD2-CD2 4.41Å; L154-L164 HydrophobicContact CG-CD1 4.5Å; L154-L164 WeakPolarHBondContact O-CD1 3.49Å; L154-A169 HydrophobicContact CD1-CB 3.95Å; L154-M183 HydrophobicContact CD2-CG 4.09Å; L154-M183 HydrophobicContact CD2-SD 3.69Å
155	D	87.7	Confident	85.2	Confident	108 Å²	108	49.1 Å²	49.1	58%	0.578	28%	0.278	S	S	*	.	H	α-helix	trans	-61.8	-42.8	174.6	-70.7	-24.1	0	0	0	111	N151 A158 S159	N151-D155 WeakPolarHBondContact O-CB 3.4Å; N151-D155 PolarHBondContact O-N 2.79Å; D155-A158 PolarHBondContact O-N 2.97Å; D155-S159 WeakPolarHBondContact O-CB 3.38Å; D155-S159 PolarHBondContact O-N 3.39Å
156	F	88.2	Confident	84.5	Confident	22 Å²	22	52 Å²	52	10%	0.096	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-45.8	174.1	-177	-97.1	0	0	0	111.3	L126 E132 L134 K152 A153 L154 A158 S159 K160 F191	L126-F156 HydrophobicContact CB-CD1 4.01Å; L126-F156 HydrophobicContact CB-CE1 4.06Å; L126-F156 HydrophobicContact CD1-CD1 4.02Å; L126-F156 HydrophobicContact CD2-CD1 4.31Å; L126-F156 HydrophobicContact CG-CD1 4.34Å; E132-F156 HydrophobicContact CB-CZ 4.44Å; L134-F156 HydrophobicContact CD1-CD1 4.03Å; L134-F156 HydrophobicContact CD1-CD2 3.96Å; L134-F156 HydrophobicContact CD1-CE1 3.94Å; L134-F156 HydrophobicContact CD1-CE2 3.88Å; L134-F156 HydrophobicContact CD1-CG 4.02Å; L134-F156 HydrophobicContact CD1-CZ 3.85Å; L134-F156 HydrophobicContact CD2-CB 3.84Å; L134-F156 HydrophobicContact CD2-CD1 4.19Å; L134-F156 HydrophobicContact CD2-CD2 4.37Å; L134-F156 HydrophobicContact CD2-CG 3.88Å; L134-F156 HydrophobicContact CG-CB 4.27Å; L134-F156 HydrophobicContact CG-CD1 4.35Å; L134-F156 HydrophobicContact CG-CD2 3.89Å; L134-F156 HydrophobicContact CG-CE2 4.28Å; L134-F156 HydrophobicContact CG-CG 3.91Å; K152-F156 PolarHBondContact O-N 3.5Å; A153-F156 PolarHBondContact O-N 3.49Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 2.95Å; F156-A158 VanDerWaalsContact C-N 3.34Å; F156-A158 PolarHBondContact O-N 3.14Å; F156-S159 PolarHBondContact O-N 3.41Å; F156-S159 PolarHBondContact O-OG 2.98Å; F156-K160 HydrophobicContact CD1-CG 4.42Å; F156-K160 HydrophobicContact CE1-CG 4.12Å; F156-K160 HydrophobicContact CZ-CD 4.45Å; F156-K160 HydrophobicContact CZ-CG 4.26Å; F156-K160 WeakPolarHBondContact O-CG 3.35Å; F156-K160 PolarHBondContact O-N 3.37Å; F156-K160 VanDerWaalsContact O-N 3.16Å; F156-F191 HydrophobicContact CE1-CZ 4.19Å
157	I	87	Confident	84.1	Confident	0 Å²	0	50 Å²	50	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-44.1	177.2	-68.2	160.8	0	0	0	111.1	L126 A153 L154 S159 K160 V162 L164 M183 I187	L126-I157 HydrophobicContact CD1-CD1 3.92Å; L126-I157 HydrophobicContact CD1-CG1 3.79Å; L126-I157 HydrophobicContact CD2-CD1 4.15Å; L126-I157 HydrophobicContact CD2-CG1 3.7Å; L126-I157 HydrophobicContact CG-CG1 4.41Å; A153-I157 WeakPolarHBondContact O-CD1 3.24Å; A153-I157 VanDerWaalsContact O-CG1 3.25Å; A153-I157 WeakPolarHBondContact O-CG1 3.46Å; A153-I157 PolarHBondContact O-N 2.93Å; L154-I157 HydrophobicContact CD2-CD1 4.34Å; L154-I157 PolarHBondContact O-N 3.41Å; I157-S159 PolarHBondContact O-N 3.05Å; I157-K160 PolarHBondContact O-N 3.04Å; I157-V162 HydrophobicContact CG2-CB 3.62Å; I157-V162 HydrophobicContact CG2-CG1 3.81Å; I157-V162 HydrophobicContact CG2-CG2 3.89Å; I157-V162 WeakPolarHBondContact O-CB 3.44Å; I157-V162 PolarHBondContact O-N 3.28Å; I157-L164 HydrophobicContact CG2-CD1 4.43Å; I157-L164 HydrophobicContact CG2-CD2 4.05Å; I157-L164 HydrophobicContact CG2-CG 4.44Å; I157-M183 HydrophobicContact CD1-CG 4.42Å; I157-I187 HydrophobicContact CD1-CD1 3.54Å; I157-I187 HydrophobicContact CD1-CG1 3.7Å; I157-I187 HydrophobicContact CG1-CD1 4.31Å; I157-I187 HydrophobicContact CG1-CG1 4.06Å
158	A	84.8	Confident	83.8	Confident	47 Å²	47	50.4 Å²	50.4	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-61.9	-42.3	175.9	0	0	0	0	0	111.8	L154 D155 F156 K160 G161 L164	L154-A158 WeakPolarHBondContact O-CB 3.27Å; L154-A158 PolarHBondContact O-N 3.27Å; D155-A158 PolarHBondContact O-N 2.97Å; F156-A158 VanDerWaalsContact C-N 3.34Å; F156-A158 PolarHBondContact O-N 3.14Å; A158-K160 PolarHBondContact O-N 3.29Å; A158-G161 PolarHBondContact O-N 3.25Å; A158-L164 HydrophobicContact CB-CD1 4.33Å
159	S	84.7	Confident	83.7	Confident	86 Å²	86	49.2 Å²	49.2	60%	0.601	30%	0.296	S	S	*	.	H	α-helix	trans	-61.8	-27	177.5	81.2	0	0	0	0	113.3	D155 F156 I157 G161	D155-S159 WeakPolarHBondContact O-CB 3.38Å; D155-S159 PolarHBondContact O-N 3.39Å; F156-S159 PolarHBondContact O-N 3.41Å; F156-S159 PolarHBondContact O-OG 2.98Å; I157-S159 PolarHBondContact O-N 3.05Å; S159-G161 PolarHBondContact O-N 3.46Å
160	K	81.8	Confident	83.6	Confident	52 Å²	52	53.4 Å²	53.4	23%	0.226	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	10.5	177.6	-61.7	-68.7	-179.9	-174	0	113	E132 F156 I157 A158 R190 F191	E132-K160 IonicContact OE1-NZ 2.7Å; E132-K160 PolarHBondContact OE1-NZ 2.94Å; E132-K160 WeakPolarHBondContact OE2-CE 3.33Å; E132-K160 IonicContact OE2-NZ 2.82Å; E132-K160 PolarHBondContact OE2-NZ 3.37Å; F156-K160 HydrophobicContact CD1-CG 4.42Å; F156-K160 HydrophobicContact CE1-CG 4.12Å; F156-K160 HydrophobicContact CZ-CD 4.45Å; F156-K160 HydrophobicContact CZ-CG 4.26Å; F156-K160 WeakPolarHBondContact O-CG 3.35Å; F156-K160 PolarHBondContact O-N 3.37Å; F156-K160 VanDerWaalsContact O-N 3.16Å; I157-K160 PolarHBondContact O-N 3.04Å; A158-K160 PolarHBondContact O-N 3.29Å; K160-R190 PolarHBondContact O-NE 3.46Å; K160-F191 HydrophobicContact CB-CZ 3.97Å; K160-F191 HydrophobicContact CG-CE1 4.47Å; K160-F191 HydrophobicContact CG-CZ 3.89Å
161	G	76.6	Confident	83.4	Confident	58 Å²	58	57.1 Å²	57.1	60%	0.598	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	16.6	170	0	0	0	0	0	114.9	A158 S159	A158-G161 PolarHBondContact O-N 3.25Å; S159-G161 PolarHBondContact O-N 3.46Å
162	V	80.2	Confident	83.2	Confident	17 Å²	17	54 Å²	54	10%	0.103	32%	0.316	C	S	.	.			trans	-91.2	125.9	179.1	-178.9	0	0	0	0	110.7	I157 L164 T186 R190	I157-V162 HydrophobicContact CG2-CB 3.62Å; I157-V162 HydrophobicContact CG2-CG1 3.81Å; I157-V162 HydrophobicContact CG2-CG2 3.89Å; I157-V162 WeakPolarHBondContact O-CB 3.44Å; I157-V162 PolarHBondContact O-N 3.28Å; V162-L164 HydrophobicContact CG1-CD2 4.28Å; V162-L164 PolarHBondContact O-N 3.45Å; V162-T186 HydrophobicContact CG1-CG2 4.3Å; V162-R190 HydrophobicContact CG2-CB 3.58Å; V162-R190 HydrophobicContact CG2-CG 3.61Å
163	K	75.7	Confident	83.1	Confident	189 Å²	189	52 Å²	52	82%	0.822	31%	0.308	S	S	*	.			trans	-82.3	102.2	173.9	-68.9	-175.1	-179.6	-179.7	0	110.7	V165	K163-V165 HydrophobicContact CB-CG2 4.44Å; K163-V165 PolarHBondContact O-N 2.63Å; K163-V165 VanDerWaalsContact O-N 3.1Å
164	L	78.2	Confident	82.9	Confident	45 Å²	45	55.9 Å²	55.9	24%	0.236	33%	0.329	C	S	.	.			trans	-80.6	80	175.2	-63	170.2	0	0	0	110.3	L154 I157 A158 V162 I167	L154-L164 HydrophobicContact CB-CD1 3.98Å; L154-L164 HydrophobicContact CD2-CD1 3.98Å; L154-L164 HydrophobicContact CD2-CD2 4.41Å; L154-L164 HydrophobicContact CG-CD1 4.5Å; L154-L164 WeakPolarHBondContact O-CD1 3.49Å; I157-L164 HydrophobicContact CG2-CD1 4.43Å; I157-L164 HydrophobicContact CG2-CD2 4.05Å; I157-L164 HydrophobicContact CG2-CG 4.44Å; A158-L164 HydrophobicContact CB-CD1 4.33Å; V162-L164 HydrophobicContact CG1-CD2 4.28Å; V162-L164 PolarHBondContact O-N 3.45Å; L164-I167 HydrophobicContact CD2-CD1 4.35Å
165	V	71	Confident	82.6	Confident	114 Å²	114	55.9 Å²	55.9	69%	0.691	33%	0.33	S	S	*	.	S	Bend	trans	-84.6	122.3	175.6	-175.6	0	0	0	0	109	K163 I167	K163-V165 HydrophobicContact CB-CG2 4.44Å; K163-V165 PolarHBondContact O-N 2.63Å; K163-V165 VanDerWaalsContact O-N 3.1Å; V165-I167 VanDerWaalsContact C-N 3.28Å; V165-I167 PolarHBondContact O-N 3.13Å
166	S	73	Confident	82.6	Confident	106 Å²	106	53.7 Å²	53.7	74%	0.741	32%	0.318	S	S	*	.	S	Bend	trans	69.8	1	178.8	-49.6	0	0	0	0	117.1	M179	S166-M179 VanDerWaalsContact C-CE 3.47Å; S166-M179 WeakPolarHBondContact O-CE 3.28Å
167	I	80.5	Confident	82.3	Confident	27 Å²	27	55.1 Å²	55.1	14%	0.138	33%	0.327	C	S	.	.			trans	-97.6	112.8	178	-53.8	174.2	0	0	0	110.4	L164 V165 I172 M179 M183	L164-I167 HydrophobicContact CD2-CD1 4.35Å; V165-I167 VanDerWaalsContact C-N 3.28Å; V165-I167 PolarHBondContact O-N 3.13Å; I167-I172 HydrophobicContact CG2-CD1 4.17Å; I167-I172 HydrophobicContact CG2-CG1 4.49Å; I167-M179 HydrophobicContact CB-CE 4.21Å; I167-M179 HydrophobicContact CG1-CE 3.79Å; I167-M183 HydrophobicContact CD1-CB 4.16Å; I167-M183 HydrophobicContact CG2-CB 4.27Å
168	G	82	Confident	82.1	Confident	31 Å²	31	63.2 Å²	63.2	32%	0.32	36%	0.362	S	S	.	.			trans	-109.5	157	173.8	0	0	0	0	0	112.8	E170 E171	G168-E170 VanDerWaalsContact C-N 3.27Å; G168-E170 PolarHBondContact O-N 3.32Å; G168-E171 WeakPolarHBondContact O-CB 3.36Å; G168-E171 PolarHBondContact O-N 2.85Å
169	A	85.9	Confident	82.2	Confident	6 Å²	6	62.6 Å²	62.6	5%	0.05	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-32.9	178.5	0	0	0	0	0	113.4	I147 V150 N151 L154 E171 I172 V173	I147-A169 HydrophobicContact CG2-CB 4.16Å; V150-A169 HydrophobicContact CB-CB 4.05Å; V150-A169 HydrophobicContact CG1-CB 3.68Å; N151-A169 WeakPolarHBondContact OD1-CB 3.47Å; L154-A169 HydrophobicContact CD1-CB 3.95Å; A169-E171 VanDerWaalsContact C-N 3.31Å; A169-E171 PolarHBondContact O-N 3.1Å; A169-I172 PolarHBondContact O-N 2.95Å; A169-V173 WeakPolarHBondContact O-CG2 3.41Å; A169-V173 PolarHBondContact O-N 3.5Å
170	E	87	Confident	82.2	Confident	91 Å²	91	58.6 Å²	58.6	43%	0.425	32%	0.323	S	S	.	.	H	α-helix	trans	-55.9	-45.7	175.3	-59.8	-89	152.8	0	0	110.8	R143 I147 G168 I172 V173 D174	R143-E170 IonicContact CZ-OE2 2.88Å; R143-E170 IonicContact NH1-OE1 3.81Å; R143-E170 IonicContact NH1-OE2 3.19Å; R143-E170 PolarHBondContact NH1-OE2 3.31Å; R143-E170 IonicContact NH2-OE2 2.89Å; R143-E170 PolarHBondContact NH2-OE2 3.03Å; I147-E170 WeakPolarHBondContact CD1-OE1 3.25Å; G168-E170 VanDerWaalsContact C-N 3.27Å; G168-E170 PolarHBondContact O-N 3.32Å; E170-I172 VanDerWaalsContact C-N 3.32Å; E170-I172 PolarHBondContact O-N 2.98Å; E170-V173 PolarHBondContact O-N 2.82Å; E170-D174 WeakPolarHBondContact O-CB 3.23Å; E170-D174 PolarHBondContact O-N 3.05Å
171	E	86.9	Confident	82.2	Confident	78 Å²	78	57 Å²	57	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-37.7	-178.7	-61.4	-64	151.4	0	0	112.8	G168 A169 G175 N176 M179	G168-E171 WeakPolarHBondContact O-CB 3.36Å; G168-E171 PolarHBondContact O-N 2.85Å; A169-E171 VanDerWaalsContact C-N 3.31Å; A169-E171 PolarHBondContact O-N 3.1Å; E171-G175 PolarHBondContact O-N 3.1Å; E171-N176 HydrophobicContact CB-CB 4.28Å; E171-N176 VanDerWaalsContact O-CB 3.31Å; E171-N176 WeakPolarHBondContact O-CB 3.19Å; E171-N176 PolarHBondContact O-N 2.96Å; E171-N176 PolarHBondContact OE2-ND2 3.14Å; E171-M179 HydrophobicContact CB-CB 3.99Å; E171-M179 HydrophobicContact CB-CG 4.1Å; E171-M179 HydrophobicContact CG-CG 4.37Å
172	I	87.2	Confident	82.6	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-74.4	-41.3	179.2	-52	-60	0	0	0	110.4	V150 I167 A169 E170 D174 G175 M179 M183	V150-I172 HydrophobicContact CG1-CB 3.92Å; V150-I172 HydrophobicContact CG1-CG1 4.13Å; V150-I172 HydrophobicContact CG1-CG2 4.15Å; V150-I172 HydrophobicContact CG2-CG2 4.24Å; I167-I172 HydrophobicContact CG2-CD1 4.17Å; I167-I172 HydrophobicContact CG2-CG1 4.49Å; A169-I172 PolarHBondContact O-N 2.95Å; E170-I172 VanDerWaalsContact C-N 3.32Å; E170-I172 PolarHBondContact O-N 2.98Å; I172-D174 VanDerWaalsContact C-N 3.32Å; I172-G175 PolarHBondContact O-N 3.16Å; I172-M179 HydrophobicContact CD1-CB 4.39Å; I172-M183 HydrophobicContact CD1-CB 4.31Å; I172-M183 HydrophobicContact CD1-CE 4.28Å; I172-M183 HydrophobicContact CD1-SD 4Å; I172-M183 HydrophobicContact CG1-SD 4.12Å; I172-M183 HydrophobicContact CG2-CE 4.42Å
173	V	88.1	Confident	82.9	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.03	30%	0.295	C	S	.	.	H	α-helix	trans	-69.6	-32.5	178.7	176.4	0	0	0	0	111.4	R117 R143 K146 I147 V150 A169 E170 G175	R117-V173 VanDerWaalsContact CZ-O 3.27Å; R117-V173 PolarHBondContact NE-O 3.05Å; R117-V173 PolarHBondContact NH2-O 3.03Å; R143-V173 HydrophobicContact CG-CG1 4.03Å; K146-V173 HydrophobicContact CB-CG1 3.83Å; K146-V173 HydrophobicContact CB-CG2 3.99Å; K146-V173 HydrophobicContact CD-CG1 4.25Å; I147-V173 HydrophobicContact CB-CG2 4.45Å; I147-V173 HydrophobicContact CG1-CB 4.1Å; I147-V173 HydrophobicContact CG1-CG1 4.16Å; I147-V173 HydrophobicContact CG1-CG2 3.77Å; V150-V173 HydrophobicContact CB-CG2 4.29Å; V150-V173 HydrophobicContact CG2-CG2 3.79Å; A169-V173 WeakPolarHBondContact O-CG2 3.41Å; A169-V173 PolarHBondContact O-N 3.5Å; E170-V173 PolarHBondContact O-N 2.82Å; V173-G175 VanDerWaalsContact C-N 3.29Å; V173-G175 PolarHBondContact O-N 3.23Å
174	D	85.6	Confident	83.4	Confident	82 Å²	82	45.4 Å²	45.4	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-81.7	-7.3	178.6	-68.7	-15.7	0	0	0	113.5	R117 R143 E170 I172	R117-D174 PolarHBondContact NH2-O 2.66Å; R143-D174 IonicContact CZ-OD1 2.86Å; R143-D174 IonicContact CZ-OD2 3.37Å; R143-D174 IonicContact NE-OD1 2.75Å; R143-D174 PolarHBondContact NE-OD1 3.15Å; R143-D174 IonicContact NH2-OD1 3.23Å; R143-D174 PolarHBondContact NH2-OD1 3.07Å; R143-D174 IonicContact NH2-OD2 3Å; R143-D174 PolarHBondContact NH2-OD2 3.43Å; E170-D174 WeakPolarHBondContact O-CB 3.23Å; E170-D174 PolarHBondContact O-N 3.05Å; I172-D174 VanDerWaalsContact C-N 3.32Å
175	G	82.9	Confident	83.9	Confident	8 Å²	8	44.7 Å²	44.7	8%	0.082	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	28.7	172.7	0	0	0	0	0	113.6	E113 E171 I172 V173 L177	E113-G175 WeakPolarHBondContact CG-O 3.25Å; E171-G175 PolarHBondContact O-N 3.1Å; I172-G175 PolarHBondContact O-N 3.16Å; V173-G175 VanDerWaalsContact C-N 3.29Å; V173-G175 PolarHBondContact O-N 3.23Å; G175-L177 PolarHBondContact O-N 3.41Å
176	N	86.4	Confident	84.5	Confident	62 Å²	62	40.6 Å²	40.6	33%	0.332	23%	0.225	S	C	.	.			trans	-71.1	95.3	176	-171.9	-25.6	0	0	0	110.5	E171 K178 M179 T180	E171-N176 HydrophobicContact CB-CB 4.28Å; E171-N176 VanDerWaalsContact O-CB 3.31Å; E171-N176 WeakPolarHBondContact O-CB 3.19Å; E171-N176 PolarHBondContact O-N 2.96Å; E171-N176 PolarHBondContact OE2-ND2 3.14Å; N176-K178 PolarHBondContact O-N 3.5Å; N176-K178 VanDerWaalsContact O-N 3.14Å; N176-K178 PolarHBondContact OD1-N 3.48Å; N176-M179 HydrophobicContact CB-CB 4.13Å; N176-M179 HydrophobicContact CB-CG 4.02Å; N176-M179 VanDerWaalsContact CG-CG 3.42Å; N176-M179 WeakPolarHBondContact ND2-CG 3.31Å; N176-M179 PolarHBondContact O-N 3.26Å; N176-T180 PolarHBondContact O-N 2.91Å; N176-T180 PolarHBondContact O-OG1 2.92Å
177	L	82.8	Confident	85.1	Confident	53 Å²	53	35.5 Å²	35.5	28%	0.277	19%	0.189	S	C	.	.	H	α-helix	trans	-51.1	-41.6	-175.2	-177.9	62.3	0	0	0	113.2	I112 E113 G175 M179 T180 L181	I112-L177 HydrophobicContact CG2-CD1 4.15Å; E113-L177 HydrophobicContact CB-CD1 4.09Å; E113-L177 HydrophobicContact CG-CB 4.3Å; E113-L177 HydrophobicContact CG-CD1 4.3Å; G175-L177 PolarHBondContact O-N 3.41Å; L177-M179 VanDerWaalsContact C-N 3.29Å; L177-M179 PolarHBondContact O-N 3.2Å; L177-T180 PolarHBondContact O-N 3.33Å; L177-L181 HydrophobicContact CD1-CD1 4.12Å; L177-L181 HydrophobicContact CD1-CG 4.09Å; L177-L181 HydrophobicContact CG-CD1 4Å; L177-L181 HydrophobicContact CG-CG 4.39Å; L177-L181 WeakPolarHBondContact O-CB 3.43Å; L177-L181 VanDerWaalsContact O-CG 3.24Å; L177-L181 WeakPolarHBondContact O-CG 3.35Å; L177-L181 PolarHBondContact O-N 3.21Å
178	K	82.8	Confident	85.4	Confident	170 Å²	170	34.2 Å²	34.2	74%	0.739	18%	0.183	S	C	*	.	H	α-helix	trans	-63.5	-37.2	-179.6	-172.4	177.5	179.9	-179.1	0	111.8	N176 G182	N176-K178 PolarHBondContact O-N 3.5Å; N176-K178 VanDerWaalsContact O-N 3.14Å; N176-K178 PolarHBondContact OD1-N 3.48Å; K178-G182 PolarHBondContact O-N 2.96Å
179	M	86.1	Confident	85.5	Confident	34 Å²	34	35.4 Å²	35.4	17%	0.167	18%	0.182	C	C	.	.	H	α-helix	trans	-77.8	-38.7	-179.6	-57.9	-53.2	-74.4	0	0	111.5	S166 I167 E171 I172 N176 L177 G182 M183	S166-M179 VanDerWaalsContact C-CE 3.47Å; S166-M179 WeakPolarHBondContact O-CE 3.28Å; I167-M179 HydrophobicContact CB-CE 4.21Å; I167-M179 HydrophobicContact CG1-CE 3.79Å; E171-M179 HydrophobicContact CB-CB 3.99Å; E171-M179 HydrophobicContact CB-CG 4.1Å; E171-M179 HydrophobicContact CG-CG 4.37Å; I172-M179 HydrophobicContact CD1-CB 4.39Å; N176-M179 HydrophobicContact CB-CB 4.13Å; N176-M179 HydrophobicContact CB-CG 4.02Å; N176-M179 VanDerWaalsContact CG-CG 3.42Å; N176-M179 WeakPolarHBondContact ND2-CG 3.31Å; N176-M179 PolarHBondContact O-N 3.26Å; L177-M179 VanDerWaalsContact C-N 3.29Å; L177-M179 PolarHBondContact O-N 3.2Å; M179-G182 PolarHBondContact O-N 3.25Å; M179-M183 PolarHBondContact O-N 3.49Å
180	T	84.5	Confident	85.4	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-62.2	-46.5	173.7	-55.3	0	0	0	0	111.7	I112 F116 N176 L177 G182 M183 I184	I112-T180 HydrophobicContact CG1-CG2 4.49Å; F116-T180 HydrophobicContact CB-CG2 4.44Å; F116-T180 HydrophobicContact CD2-CG2 4.17Å; N176-T180 PolarHBondContact O-N 2.91Å; N176-T180 PolarHBondContact O-OG1 2.92Å; L177-T180 PolarHBondContact O-N 3.33Å; T180-G182 VanDerWaalsContact C-N 3.32Å; T180-G182 PolarHBondContact O-N 3.03Å; T180-M183 PolarHBondContact O-N 3.05Å; T180-I184 WeakPolarHBondContact O-CG1 3.35Å; T180-I184 PolarHBondContact O-N 3.45Å
181	L	83.7	Confident	85.2	Confident	18 Å²	18	35.4 Å²	35.4	9%	0.094	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-37.3	174.3	-65.4	172.3	0	0	0	112.1	C91 F94 I112 L177 M183 I184 W185	C91-L181 HydrophobicContact CB-CD2 4.49Å; C91-L181 VanDerWaalsContact SG-CD1 3.56Å; F94-L181 HydrophobicContact CD2-CB 4.4Å; F94-L181 HydrophobicContact CD2-CD2 3.8Å; F94-L181 HydrophobicContact CE2-CB 4.42Å; F94-L181 WeakPolarHBondContact CE2-O 3.2Å; I112-L181 HydrophobicContact CD1-CD2 4.18Å; I112-L181 HydrophobicContact CG2-CD2 4.38Å; L177-L181 HydrophobicContact CD1-CD1 4.12Å; L177-L181 HydrophobicContact CD1-CG 4.09Å; L177-L181 HydrophobicContact CG-CD1 4Å; L177-L181 HydrophobicContact CG-CG 4.39Å; L177-L181 WeakPolarHBondContact O-CB 3.43Å; L177-L181 VanDerWaalsContact O-CG 3.24Å; L177-L181 WeakPolarHBondContact O-CG 3.35Å; L177-L181 PolarHBondContact O-N 3.21Å; L181-M183 VanDerWaalsContact C-N 3.34Å; L181-M183 PolarHBondContact O-N 3.41Å; L181-I184 PolarHBondContact O-N 3.18Å; L181-W185 WeakPolarHBondContact O-CB 3.33Å; L181-W185 PolarHBondContact O-N 3.05Å
182	G	83.4	Confident	84.9	Confident	22 Å²	22	32.1 Å²	32.1	23%	0.227	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-44.3	174.1	0	0	0	0	0	112.5	K178 M179 T180 T186	K178-G182 PolarHBondContact O-N 2.96Å; M179-G182 PolarHBondContact O-N 3.25Å; T180-G182 VanDerWaalsContact C-N 3.32Å; T180-G182 PolarHBondContact O-N 3.03Å; G182-T186 PolarHBondContact O-N 3.4Å
183	M	87.4	Confident	84.7	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.7	-47.4	177.4	180	-166.3	67.6	0	0	112.2	L122 L154 I157 I167 I172 M179 T180 L181 W185 T186 I187	L122-M183 HydrophobicContact CD1-CE 3.56Å; L122-M183 HydrophobicContact CD1-SD 4.27Å; L122-M183 HydrophobicContact CD2-CE 3.59Å; L122-M183 HydrophobicContact CD2-SD 3.63Å; L122-M183 HydrophobicContact CG-CE 4.21Å; L154-M183 HydrophobicContact CD2-CG 4.09Å; L154-M183 HydrophobicContact CD2-SD 3.69Å; I157-M183 HydrophobicContact CD1-CG 4.42Å; I167-M183 HydrophobicContact CD1-CB 4.16Å; I167-M183 HydrophobicContact CG2-CB 4.27Å; I172-M183 HydrophobicContact CD1-CB 4.31Å; I172-M183 HydrophobicContact CD1-CE 4.28Å; I172-M183 HydrophobicContact CD1-SD 4Å; I172-M183 HydrophobicContact CG1-SD 4.12Å; I172-M183 HydrophobicContact CG2-CE 4.42Å; M179-M183 PolarHBondContact O-N 3.49Å; T180-M183 PolarHBondContact O-N 3.05Å; L181-M183 VanDerWaalsContact C-N 3.34Å; L181-M183 PolarHBondContact O-N 3.41Å; M183-W185 VanDerWaalsContact C-N 3.25Å; M183-W185 PolarHBondContact O-N 3.15Å; M183-T186 PolarHBondContact O-N 3.37Å; M183-T186 VanDerWaalsContact O-N 3.13Å; M183-T186 PolarHBondContact O-OG1 2.85Å; M183-I187 HydrophobicContact CG-CD1 4.27Å; M183-I187 WeakPolarHBondContact O-CG1 3.17Å; M183-I187 PolarHBondContact O-N 2.73Å; M183-I187 VanDerWaalsContact O-N 3.1Å
184	I	86.7	Confident	84.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-37.1	179.6	-63.2	-64.3	0	0	0	110.8	F94 I112 F116 L122 L125 T180 L181 T186 I187 I188	F94-I184 HydrophobicContact CB-CG2 3.84Å; F94-I184 HydrophobicContact CD2-CB 4.31Å; F94-I184 HydrophobicContact CD2-CG2 4.13Å; F94-I184 HydrophobicContact CG-CG2 4.07Å; I112-I184 HydrophobicContact CD1-CG1 4.3Å; F116-I184 HydrophobicContact CD2-CD1 3.99Å; F116-I184 HydrophobicContact CD2-CG1 4.31Å; F116-I184 HydrophobicContact CE2-CD1 3.45Å; F116-I184 VanDerWaalsContact CE2-CD1 3.45Å; F116-I184 HydrophobicContact CE2-CG1 3.94Å; F116-I184 HydrophobicContact CZ-CD1 3.87Å; L122-I184 HydrophobicContact CD1-CD1 4.05Å; L125-I184 HydrophobicContact CD2-CD1 4.4Å; T180-I184 WeakPolarHBondContact O-CG1 3.35Å; T180-I184 PolarHBondContact O-N 3.45Å; L181-I184 PolarHBondContact O-N 3.18Å; I184-T186 PolarHBondContact O-N 3.41Å; I184-I187 HydrophobicContact CD1-CD1 4.21Å; I184-I187 PolarHBondContact O-N 3.35Å; I184-I188 HydrophobicContact CG2-CD1 3.87Å; I184-I188 HydrophobicContact CG2-CG1 4.39Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.05Å; I184-I188 PolarHBondContact O-N 3.48Å
185	W	87.1	Confident	83.6	Confident	29 Å²	29	37.3 Å²	37.3	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-43.4	172.7	172.1	-108.6	0	0	0	113.2	F94 L181 M183 I187 I188 L189 I193 K293 M296	F94-W185 AromaticContact CE1-CE3 3.98Å; F94-W185 HydrophobicContact CE1-CE3 3.98Å; F94-W185 HydrophobicContact CE2-CB 3.84Å; F94-W185 HydrophobicContact CZ-CB 3.86Å; F94-W185 HydrophobicContact CZ-CD2 4.29Å; F94-W185 AromaticContact CZ-CE3 3.71Å; F94-W185 HydrophobicContact CZ-CE3 3.71Å; F94-W185 HydrophobicContact CZ-CG 4.4Å; L181-W185 WeakPolarHBondContact O-CB 3.33Å; L181-W185 PolarHBondContact O-N 3.05Å; M183-W185 VanDerWaalsContact C-N 3.25Å; M183-W185 PolarHBondContact O-N 3.15Å; W185-I187 VanDerWaalsContact C-N 3.27Å; W185-I187 PolarHBondContact O-N 2.7Å; W185-I188 HydrophobicContact CZ3-CG2 4.43Å; W185-I188 PolarHBondContact O-N 3.37Å; W185-L189 HydrophobicContact CZ2-CD1 4.22Å; W185-L189 VanDerWaalsContact O-CB 3.28Å; W185-L189 WeakPolarHBondContact O-CB 3.46Å; W185-L189 PolarHBondContact O-N 3.21Å; W185-I193 HydrophobicContact CH2-CD1 4.38Å; W185-K293 HydrophobicContact CB-CD 4.41Å; W185-K293 VanDerWaalsContact CD1-NZ 3.29Å; W185-K293 HydrophobicContact CD2-CB 4.01Å; W185-K293 HydrophobicContact CD2-CD 3.49Å; W185-K293 VanDerWaalsContact CD2-CD 3.49Å; W185-K293 HydrophobicContact CD2-CG 3.73Å; W185-K293 HydrophobicContact CE3-CB 3.56Å; W185-K293 HydrophobicContact CE3-CD 3.95Å; W185-K293 HydrophobicContact CE3-CG 3.82Å; W185-K293 HydrophobicContact CG-CD 3.69Å; W185-K293 HydrophobicContact CG-CG 4.45Å; W185-K293 HydrophobicContact CH2-CB 3.85Å; W185-K293 HydrophobicContact CH2-CG 3.77Å; W185-K293 HydrophobicContact CZ2-CB 4.29Å; W185-K293 HydrophobicContact CZ2-CD 4.24Å; W185-K293 HydrophobicContact CZ2-CG 3.71Å; W185-K293 HydrophobicContact CZ3-CB 3.48Å; W185-K293 VanDerWaalsContact CZ3-CB 3.48Å; W185-K293 HydrophobicContact CZ3-CD 4.47Å; W185-K293 HydrophobicContact CZ3-CG 3.84Å; W185-K293 WeakPolarHBondContact CZ3-O 3.48Å; W185-M296 HydrophobicContact CH2-CB 4.15Å; W185-M296 HydrophobicContact CH2-CE 4.06Å; W185-M296 HydrophobicContact CH2-SD 4.03Å
186	T	84.6	Confident	83.2	Confident	28 Å²	28	37 Å²	37	17%	0.172	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-31.5	179.3	57	0	0	0	0	112.1	V162 G182 M183 I184 R190	V162-T186 HydrophobicContact CG1-CG2 4.3Å; G182-T186 PolarHBondContact O-N 3.4Å; M183-T186 PolarHBondContact O-N 3.37Å; M183-T186 VanDerWaalsContact O-N 3.13Å; M183-T186 PolarHBondContact O-OG1 2.85Å; I184-T186 PolarHBondContact O-N 3.41Å; T186-R190 WeakPolarHBondContact O-CB 3.27Å; T186-R190 PolarHBondContact O-N 3.17Å
187	I	85.6	Confident	82.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-51.6	172	-63.6	168.6	0	0	0	110.5	W97 L122 L126 I129 I157 M183 I184 W185 L189 R190 F191	W97-I187 HydrophobicContact CH2-CG2 4.17Å; W97-I187 HydrophobicContact CZ3-CG2 4.37Å; L122-I187 HydrophobicContact CD1-CD1 3.82Å; L126-I187 HydrophobicContact CD2-CD1 4.07Å; L126-I187 HydrophobicContact CD2-CG1 4.24Å; L126-I187 HydrophobicContact CD2-CG2 4.07Å; I129-I187 HydrophobicContact CD1-CG2 3.41Å; I129-I187 VanDerWaalsContact CD1-CG2 3.41Å; I157-I187 HydrophobicContact CD1-CD1 3.54Å; I157-I187 HydrophobicContact CD1-CG1 3.7Å; I157-I187 HydrophobicContact CG1-CD1 4.31Å; I157-I187 HydrophobicContact CG1-CG1 4.06Å; M183-I187 HydrophobicContact CG-CD1 4.27Å; M183-I187 WeakPolarHBondContact O-CG1 3.17Å; M183-I187 PolarHBondContact O-N 2.73Å; M183-I187 VanDerWaalsContact O-N 3.1Å; I184-I187 HydrophobicContact CD1-CD1 4.21Å; I184-I187 PolarHBondContact O-N 3.35Å; W185-I187 VanDerWaalsContact C-N 3.27Å; W185-I187 PolarHBondContact O-N 2.7Å; I187-L189 VanDerWaalsContact C-N 3.31Å; I187-L189 PolarHBondContact O-N 3.11Å; I187-R190 PolarHBondContact O-N 3.33Å; I187-F191 HydrophobicContact CG2-CD2 3.94Å; I187-F191 HydrophobicContact CG2-CE2 4.44Å; I187-F191 WeakPolarHBondContact O-CD2 3.33Å; I187-F191 PolarHBondContact O-N 3.13Å
188	I	85.9	Confident	81.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.4	-48.9	177.1	-68.5	165.7	0	0	0	110.3	F94 W97 I184 W185 R190 A192 I193 T297	F94-I188 HydrophobicContact CD1-CD1 3.5Å; F94-I188 HydrophobicContact CE1-CD1 3.82Å; F94-I188 HydrophobicContact CG-CD1 4.01Å; W97-I188 HydrophobicContact CD2-CD1 3.92Å; W97-I188 HydrophobicContact CD2-CG1 3.54Å; W97-I188 HydrophobicContact CE3-CD1 3.79Å; W97-I188 HydrophobicContact CE3-CG1 3.38Å; W97-I188 HydrophobicContact CG-CD1 4.24Å; W97-I188 HydrophobicContact CG-CG1 4.28Å; W97-I188 HydrophobicContact CH2-CG1 3.74Å; W97-I188 HydrophobicContact CZ2-CB 4.49Å; W97-I188 HydrophobicContact CZ2-CG1 3.89Å; W97-I188 HydrophobicContact CZ3-CD1 4.33Å; W97-I188 HydrophobicContact CZ3-CG1 3.49Å; W97-I188 VanDerWaalsContact CZ3-CG1 3.49Å; I184-I188 HydrophobicContact CG2-CD1 3.87Å; I184-I188 HydrophobicContact CG2-CG1 4.39Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.05Å; I184-I188 PolarHBondContact O-N 3.48Å; W185-I188 HydrophobicContact CZ3-CG2 4.43Å; W185-I188 PolarHBondContact O-N 3.37Å; I188-R190 VanDerWaalsContact C-N 3.3Å; I188-R190 PolarHBondContact O-N 2.97Å; I188-A192 HydrophobicContact CG2-CB 4.4Å; I188-A192 WeakPolarHBondContact O-CA 3.37Å; I188-A192 WeakPolarHBondContact O-CB 3.42Å; I188-A192 PolarHBondContact O-N 2.78Å; I188-I193 HydrophobicContact CG2-CD1 4.13Å; I188-I193 PolarHBondContact O-N 2.89Å; I188-T297 HydrophobicContact CD1-CG2 3.98Å; I188-T297 HydrophobicContact CG1-CG2 4.47Å; I188-T297 HydrophobicContact CG2-CG2 3.79Å
189	L	84.7	Confident	80.2	Confident	56 Å²	56	34.6 Å²	34.6	29%	0.293	19%	0.185	S	C	.	.	I	π-helix	trans	-56.9	-46.4	179.8	-176.5	64.9	0	0	0	110.5	W185 I187 I193 Q194	W185-L189 HydrophobicContact CZ2-CD1 4.22Å; W185-L189 VanDerWaalsContact O-CB 3.28Å; W185-L189 WeakPolarHBondContact O-CB 3.46Å; W185-L189 PolarHBondContact O-N 3.21Å; I187-L189 VanDerWaalsContact C-N 3.31Å; I187-L189 PolarHBondContact O-N 3.11Å; L189-I193 HydrophobicContact CD1-CB 4.26Å; L189-I193 HydrophobicContact CD1-CG2 4.17Å; L189-I193 CarbonylContact O-C 3.36Å; L189-I193 PolarHBondContact O-N 2.83Å; L189-Q194 WeakPolarHBondContact O-CB 3.44Å; L189-Q194 PolarHBondContact O-N 3.4Å
190	R	84.8	Confident	78.9	Confident	55 Å²	55	42.3 Å²	42.3	21%	0.208	22%	0.22	C	C	.	.	I	π-helix	trans	-71.3	-45.2	-176.5	178.3	60.2	-170.8	105.8	-8	114.1	K160 V162 T186 I187 I188 Q194 D195	K160-R190 PolarHBondContact O-NE 3.46Å; V162-R190 HydrophobicContact CG2-CB 3.58Å; V162-R190 HydrophobicContact CG2-CG 3.61Å; T186-R190 WeakPolarHBondContact O-CB 3.27Å; T186-R190 PolarHBondContact O-N 3.17Å; I187-R190 PolarHBondContact O-N 3.33Å; I188-R190 VanDerWaalsContact C-N 3.3Å; I188-R190 PolarHBondContact O-N 2.97Å; R190-Q194 WeakPolarHBondContact O-CB 3.4Å; R190-D195 IonicContact CZ-OD1 3.45Å; R190-D195 IonicContact NH1-OD1 3.83Å; R190-D195 PolarHBondContact NH1-OD1 3.24Å; R190-D195 IonicContact NH1-OD2 2.72Å
191	F	82.3	Confident	78.2	Confident	41 Å²	41	44.6 Å²	44.6	18%	0.18	23%	0.234	C	C	.	.	I	π-helix	trans	-97.4	-23.3	-167.8	-72.4	-84.6	0	0	0	113.8	L126 I129 F156 K160 I187	L126-F191 HydrophobicContact CD2-CE2 4.27Å; I129-F191 HydrophobicContact CD1-CB 3.96Å; I129-F191 HydrophobicContact CD1-CD1 4.23Å; I129-F191 HydrophobicContact CD1-CD2 3.67Å; I129-F191 HydrophobicContact CD1-CE2 4.15Å; I129-F191 HydrophobicContact CD1-CG 3.7Å; I129-F191 HydrophobicContact CG1-CB 4.4Å; I129-F191 HydrophobicContact CG1-CD1 4.15Å; I129-F191 HydrophobicContact CG1-CD2 4.44Å; I129-F191 HydrophobicContact CG1-CG 4.09Å; F156-F191 HydrophobicContact CE1-CZ 4.19Å; K160-F191 HydrophobicContact CB-CZ 3.97Å; K160-F191 HydrophobicContact CG-CE1 4.47Å; K160-F191 HydrophobicContact CG-CZ 3.89Å; I187-F191 HydrophobicContact CG2-CD2 3.94Å; I187-F191 HydrophobicContact CG2-CE2 4.44Å; I187-F191 WeakPolarHBondContact O-CD2 3.33Å; I187-F191 PolarHBondContact O-N 3.13Å
192	A	81.5	Confident	77.8	Confident	9 Å²	9	46.7 Å²	46.7	7%	0.074	25%	0.25	C	S	.	.	I	π-helix	trans	-107.3	-27.8	178.7	0	0	0	0	0	112.9	W97 I188 I196 H304	W97-A192 HydrophobicContact CZ2-CB 4.21Å; I188-A192 HydrophobicContact CG2-CB 4.4Å; I188-A192 WeakPolarHBondContact O-CA 3.37Å; I188-A192 WeakPolarHBondContact O-CB 3.42Å; I188-A192 PolarHBondContact O-N 2.78Å; A192-I196 WeakPolarHBondContact O-CD1 3.26Å; A192-H304 PolarHBondContact O-NE2 3.36Å
193	I	82.2	Confident	77.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-114.8	-41.6	-170.9	-61.5	166.2	0	0	0	111.9	W185 I188 L189 D195 I196 A203 L207 M296	W185-I193 HydrophobicContact CH2-CD1 4.38Å; I188-I193 HydrophobicContact CG2-CD1 4.13Å; I188-I193 PolarHBondContact O-N 2.89Å; L189-I193 HydrophobicContact CD1-CB 4.26Å; L189-I193 HydrophobicContact CD1-CG2 4.17Å; L189-I193 CarbonylContact O-C 3.36Å; L189-I193 PolarHBondContact O-N 2.83Å; I193-D195 VanDerWaalsContact C-N 3.27Å; I193-D195 PolarHBondContact O-N 3.25Å; I193-I196 WeakPolarHBondContact O-CB 3.29Å; I193-I196 VanDerWaalsContact O-CG1 3.3Å; I193-I196 WeakPolarHBondContact O-CG1 3.46Å; I193-I196 PolarHBondContact O-N 3.37Å; I193-A203 HydrophobicContact CG2-CB 4.31Å; I193-A203 VanDerWaalsContact O-CB 3.31Å; I193-A203 WeakPolarHBondContact O-CB 3.48Å; I193-L207 HydrophobicContact CG1-CD2 4.49Å; I193-L207 HydrophobicContact CG2-CD2 4.36Å; I193-M296 HydrophobicContact CD1-CB 4.08Å; I193-M296 HydrophobicContact CD1-CE 4.1Å; I193-M296 HydrophobicContact CG2-CE 4.19Å
194	Q	80.2	Confident	77.3	Confident	92 Å²	92	50.5 Å²	50.5	43%	0.43	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.5	-167.9	-168.4	168.6	-10.7	0	0	114.2	L189 R190 I196 A203	L189-Q194 WeakPolarHBondContact O-CB 3.44Å; L189-Q194 PolarHBondContact O-N 3.4Å; R190-Q194 WeakPolarHBondContact O-CB 3.4Å; Q194-I196 VanDerWaalsContact C-N 3.26Å; Q194-I196 PolarHBondContact O-N 3.21Å; Q194-A203 VanDerWaalsContact CA-CB 3.4Å; Q194-A203 HydrophobicContact CB-CB 4.44Å
195	D	71.1	Confident	77.1	Confident	105 Å²	105	55.8 Å²	55.8	56%	0.561	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.1	177.5	-62.3	-28.5	0	0	0	112.8	R190 I193 S197	R190-D195 IonicContact CZ-OD1 3.45Å; R190-D195 IonicContact NH1-OD1 3.83Å; R190-D195 PolarHBondContact NH1-OD1 3.24Å; R190-D195 IonicContact NH1-OD2 2.72Å; I193-D195 VanDerWaalsContact C-N 3.27Å; I193-D195 PolarHBondContact O-N 3.25Å; D195-S197 PolarHBondContact O-N 2.91Å; D195-S197 VanDerWaalsContact O-N 3.11Å
196	I	74.3	Confident	76.9	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	28%	0.284	C	S	.	.			trans	-78.5	93.6	173.8	-56.4	179.5	0	0	0	108.7	A192 I193 Q194 V198 A203 L207 Y303	A192-I196 WeakPolarHBondContact O-CD1 3.26Å; I193-I196 WeakPolarHBondContact O-CB 3.29Å; I193-I196 VanDerWaalsContact O-CG1 3.3Å; I193-I196 WeakPolarHBondContact O-CG1 3.46Å; I193-I196 PolarHBondContact O-N 3.37Å; Q194-I196 VanDerWaalsContact C-N 3.26Å; Q194-I196 PolarHBondContact O-N 3.21Å; I196-V198 HydrophobicContact CG2-CG2 4.35Å; I196-A203 WeakPolarHBondContact O-CA 3.28Å; I196-L207 HydrophobicContact CD1-CB 4.46Å; I196-L207 HydrophobicContact CD1-CD1 3.91Å; I196-L207 HydrophobicContact CD1-CD2 4.35Å; I196-L207 HydrophobicContact CD1-CG 4.46Å; I196-L207 HydrophobicContact CG2-CB 4.33Å; I196-Y303 HydrophobicContact CB-CE1 4.27Å; I196-Y303 HydrophobicContact CD1-CD1 3.6Å; I196-Y303 HydrophobicContact CD1-CE1 4.09Å; I196-Y303 HydrophobicContact CD1-CG 3.94Å; I196-Y303 HydrophobicContact CG1-CD1 3.77Å; I196-Y303 HydrophobicContact CG1-CE1 3.74Å; I196-Y303 HydrophobicContact CG1-CG 4.48Å; I196-Y303 HydrophobicContact CG2-CD1 4.26Å; I196-Y303 HydrophobicContact CG2-CD2 4.24Å; I196-Y303 HydrophobicContact CG2-CE1 3.86Å; I196-Y303 HydrophobicContact CG2-CE2 3.84Å; I196-Y303 HydrophobicContact CG2-CG 4.44Å
197	S	65.7	Low	77	Confident	93 Å²	93	53 Å²	53	65%	0.65	28%	0.275	S	S	*	.			trans	-103.7	111.6	173	69.1	0	0	0	0	110.8	D195	D195-S197 PolarHBondContact O-N 2.91Å; D195-S197 VanDerWaalsContact O-N 3.11Å
198	V	63.7	Low	77.1	Confident	24 Å²	24	54.5 Å²	54.5	15%	0.145	28%	0.283	C	S	.	.	S	Bend	trans	-118.3	115.5	170	-176.8	0	0	0	0	107.3	I196 E200 T201 L209 W210 Y303	I196-V198 HydrophobicContact CG2-CG2 4.35Å; V198-E200 PolarHBondContact O-N 2.66Å; V198-T201 PolarHBondContact O-N 3.13Å; V198-T201 PolarHBondContact O-OG1 2.86Å; V198-L209 HydrophobicContact CG1-CD2 4.19Å; V198-W210 HydrophobicContact CG2-CB 4.35Å; V198-Y303 HydrophobicContact CG2-CE2 4.46Å
199	E	58.5	Low	77.1	Confident	117 Å²	117	56.2 Å²	56.2	55%	0.547	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	45.5	177.2	-61.5	-175.7	167	0	0	115.2	T201 L209 R213	E199-T201 PolarHBondContact O-N 3.5Å; E199-L209 HydrophobicContact CB-CD2 4.47Å; E199-R213 VanDerWaalsContact CD-NH1 3.35Å; E199-R213 IonicContact OE1-CZ 3.43Å; E199-R213 IonicContact OE1-NH1 3.48Å; E199-R213 PolarHBondContact OE1-NH1 2.89Å; E199-R213 IonicContact OE1-NH2 2.71Å; E199-R213 PolarHBondContact OE1-NH2 3.38Å; E199-R213 IonicContact OE2-CZ 3.56Å; E199-R213 IonicContact OE2-NH1 2.86Å; E199-R213 IonicContact OE2-NH2 2.62Å; E199-R213 PolarHBondContact OE2-NH2 3.47Å
200	E	59.7	Low	77.2	Confident	197 Å²	197	54.7 Å²	54.7	92%	0.921	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	15	175.7	-55.8	-175.7	167	0	0	115.1	V198	V198-E200 PolarHBondContact O-N 2.66Å
201	T	69.3	Low	77.4	Confident	48 Å²	48	52.1 Å²	52.1	29%	0.294	27%	0.273	S	S	.	.			trans	-82.4	159.5	175.3	59.9	0	0	0	0	111.6	V198 E199 G206	V198-T201 PolarHBondContact O-N 3.13Å; V198-T201 PolarHBondContact O-OG1 2.86Å; E199-T201 PolarHBondContact O-N 3.5Å; T201-G206 WeakPolarHBondContact OG1-CA 3.07Å; T201-G206 PolarHBondContact OG1-N 3.47Å
202	S	75.7	Confident	77.7	Confident	62 Å²	62	53.4 Å²	53.4	43%	0.434	28%	0.279	S	S	.	.			trans	-60.6	147.6	175.8	71	0	0	0	0	110.1	K204 E205 G206	S202-K204 PolarHBondContact O-N 3.21Å; S202-E205 WeakPolarHBondContact CB-OE2 3.49Å; S202-E205 PolarHBondContact N-OE2 2.84Å; S202-E205 CarbonylContact O-C 3.52Å; S202-E205 WeakPolarHBondContact O-CA 2.91Å; S202-E205 WeakPolarHBondContact O-CB 3.37Å; S202-E205 PolarHBondContact O-N 3.13Å; S202-E205 VanDerWaalsContact OG-CG 3.28Å; S202-E205 WeakPolarHBondContact OG-CG 3.4Å; S202-E205 PolarHBondContact OG-OE2 3.1Å; S202-G206 PolarHBondContact O-N 3.34Å
203	A	77.5	Confident	78	Confident	19 Å²	19	59.2 Å²	59.2	16%	0.157	30%	0.299	C	S	.	.	H	α-helix	trans	-49.8	-38.3	-172.5	0	0	0	0	0	116.4	I193 Q194 I196 L207	I193-A203 HydrophobicContact CG2-CB 4.31Å; I193-A203 VanDerWaalsContact O-CB 3.31Å; I193-A203 WeakPolarHBondContact O-CB 3.48Å; Q194-A203 VanDerWaalsContact CA-CB 3.4Å; Q194-A203 HydrophobicContact CB-CB 4.44Å; I196-A203 WeakPolarHBondContact O-CA 3.28Å; A203-L207 WeakPolarHBondContact O-CB 3.45Å; A203-L207 PolarHBondContact O-N 3.5Å
204	K	82.3	Confident	78.2	Confident	83 Å²	83	61.5 Å²	61.5	36%	0.361	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-44.7	174.6	176.7	178.2	179	-176	0	111.5	S202 L208 F226 E292 M296	S202-K204 PolarHBondContact O-N 3.21Å; K204-L208 WeakPolarHBondContact O-CB 3.19Å; K204-L208 PolarHBondContact O-N 3.38Å; K204-F226 HydrophobicContact CG-CD2 4.42Å; K204-F226 HydrophobicContact CG-CE2 4.08Å; K204-E292 WeakPolarHBondContact CE-OE1 3.07Å; K204-E292 VanDerWaalsContact NZ-CD 3.29Å; K204-E292 IonicContact NZ-OE1 3.84Å; K204-E292 PolarHBondContact NZ-OE1 2.99Å; K204-E292 IonicContact NZ-OE2 2.74Å; K204-E292 PolarHBondContact NZ-OE2 3.06Å; K204-M296 HydrophobicContact CB-CE 3.93Å; K204-M296 HydrophobicContact CD-CE 3.97Å; K204-M296 HydrophobicContact CD-SD 4.02Å; K204-M296 HydrophobicContact CG-CE 3.61Å; K204-M296 HydrophobicContact CG-SD 4.06Å
205	E	82.4	Confident	78.6	Confident	111 Å²	111	57.3 Å²	57.3	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-67.8	-37.2	176.6	-67.9	166.6	159.6	0	0	111.3	S202 L208 L209	S202-E205 WeakPolarHBondContact CB-OE2 3.49Å; S202-E205 PolarHBondContact N-OE2 2.84Å; S202-E205 CarbonylContact O-C 3.52Å; S202-E205 WeakPolarHBondContact O-CA 2.91Å; S202-E205 WeakPolarHBondContact O-CB 3.37Å; S202-E205 PolarHBondContact O-N 3.13Å; S202-E205 VanDerWaalsContact OG-CG 3.28Å; S202-E205 WeakPolarHBondContact OG-CG 3.4Å; S202-E205 PolarHBondContact OG-OE2 3.1Å; E205-L208 PolarHBondContact O-N 3.34Å; E205-L209 VanDerWaalsContact O-CB 3.22Å; E205-L209 WeakPolarHBondContact O-CB 3.27Å; E205-L209 PolarHBondContact O-N 3.03Å
206	G	83.1	Confident	79.4	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-42.7	177	0	0	0	0	0	112.5	T201 S202 L209 W210	T201-G206 WeakPolarHBondContact OG1-CA 3.07Å; T201-G206 PolarHBondContact OG1-N 3.47Å; S202-G206 PolarHBondContact O-N 3.34Å; G206-L209 PolarHBondContact O-N 2.93Å; G206-W210 WeakPolarHBondContact O-CB 3.43Å; G206-W210 PolarHBondContact O-N 3.35Å
207	L	86.8	Confident	80.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-64.1	-41.7	171.8	-177.1	59.2	0	0	0	111.3	I193 I196 A203 W210 C211 F226 V299 Y303	I193-L207 HydrophobicContact CG1-CD2 4.49Å; I193-L207 HydrophobicContact CG2-CD2 4.36Å; I196-L207 HydrophobicContact CD1-CB 4.46Å; I196-L207 HydrophobicContact CD1-CD1 3.91Å; I196-L207 HydrophobicContact CD1-CD2 4.35Å; I196-L207 HydrophobicContact CD1-CG 4.46Å; I196-L207 HydrophobicContact CG2-CB 4.33Å; A203-L207 WeakPolarHBondContact O-CB 3.45Å; A203-L207 PolarHBondContact O-N 3.5Å; L207-W210 HydrophobicContact CD1-CE3 4.08Å; L207-W210 PolarHBondContact O-N 2.69Å; L207-C211 PolarHBondContact O-N 3.09Å; L207-C211 PolarHBondContact O-SG 3.35Å; L207-F226 HydrophobicContact CB-CZ 4.14Å; L207-F226 HydrophobicContact CD2-CE1 4.3Å; L207-F226 HydrophobicContact CD2-CZ 4.05Å; L207-F226 HydrophobicContact CG-CE1 4.26Å; L207-F226 HydrophobicContact CG-CZ 3.84Å; L207-V299 HydrophobicContact CD1-CG1 4.32Å; L207-V299 HydrophobicContact CG-CG1 4.48Å; L207-Y303 HydrophobicContact CD1-CD2 4.29Å; L207-Y303 HydrophobicContact CD1-CG 4.25Å
208	L	87.9	Confident	81.2	Confident	30 Å²	30	56.8 Å²	56.8	16%	0.157	29%	0.293	C	S	.	.	H	α-helix	trans	-64.4	-44.5	177.7	-174.3	63.1	0	0	0	111.6	K204 E205 W210 C211 Q212 V223 F226	K204-L208 WeakPolarHBondContact O-CB 3.19Å; K204-L208 PolarHBondContact O-N 3.38Å; E205-L208 PolarHBondContact O-N 3.34Å; L208-W210 VanDerWaalsContact C-N 3.33Å; L208-C211 WeakPolarHBondContact O-CB 3.5Å; L208-C211 PolarHBondContact O-N 3.15Å; L208-Q212 WeakPolarHBondContact O-CB 3.25Å; L208-Q212 VanDerWaalsContact O-CG 3.31Å; L208-Q212 WeakPolarHBondContact O-CG 3.41Å; L208-Q212 PolarHBondContact O-N 3.3Å; L208-V223 HydrophobicContact CD1-CG1 3.79Å; L208-F226 HydrophobicContact CB-CE2 3.74Å; L208-F226 HydrophobicContact CB-CZ 3.85Å; L208-F226 HydrophobicContact CD1-CD2 4.37Å; L208-F226 HydrophobicContact CD1-CE1 4.47Å; L208-F226 HydrophobicContact CD1-CE2 4.02Å; L208-F226 HydrophobicContact CD1-CZ 4.07Å; L208-F226 HydrophobicContact CG-CE2 4.38Å
209	L	85.8	Confident	82.2	Confident	37 Å²	37	67.8 Å²	67.8	19%	0.194	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-40.7	177.2	-179.6	62.8	0	0	0	111.1	V198 E199 E205 G206 Q212 R213	V198-L209 HydrophobicContact CG1-CD2 4.19Å; E199-L209 HydrophobicContact CB-CD2 4.47Å; E205-L209 VanDerWaalsContact O-CB 3.22Å; E205-L209 WeakPolarHBondContact O-CB 3.27Å; E205-L209 PolarHBondContact O-N 3.03Å; G206-L209 PolarHBondContact O-N 2.93Å; L209-Q212 PolarHBondContact O-N 3.12Å; L209-R213 HydrophobicContact CD1-CG 4.38Å; L209-R213 WeakPolarHBondContact O-CB 3.37Å; L209-R213 WeakPolarHBondContact O-CG 3.36Å; L209-R213 PolarHBondContact O-N 3.12Å
210	W	87.2	Confident	83.6	Confident	24 Å²	24	65.5 Å²	65.5	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-58.7	-49.3	172.4	175.3	86.6	0	0	0	111	V198 G206 L207 L208 Q212 R213 K214 L239 H243 F302 Y303 F306	V198-W210 HydrophobicContact CG2-CB 4.35Å; G206-W210 WeakPolarHBondContact O-CB 3.43Å; G206-W210 PolarHBondContact O-N 3.35Å; L207-W210 HydrophobicContact CD1-CE3 4.08Å; L207-W210 PolarHBondContact O-N 2.69Å; L208-W210 VanDerWaalsContact C-N 3.33Å; W210-Q212 PolarHBondContact O-N 3.5Å; W210-R213 PolarHBondContact O-N 3.48Å; W210-K214 HydrophobicContact CD2-CG 4.26Å; W210-K214 HydrophobicContact CG-CG 4.47Å; W210-K214 HydrophobicContact CZ2-CG 4.3Å; W210-K214 WeakPolarHBondContact O-CB 3.37Å; W210-K214 VanDerWaalsContact O-CG 3.3Å; W210-K214 WeakPolarHBondContact O-CG 3.3Å; W210-K214 PolarHBondContact O-N 3.12Å; W210-L239 HydrophobicContact CE3-CD2 4.5Å; W210-L239 HydrophobicContact CH2-CD1 4.39Å; W210-L239 HydrophobicContact CH2-CD2 4.11Å; W210-L239 HydrophobicContact CZ3-CD1 3.94Å; W210-L239 HydrophobicContact CZ3-CD2 3.97Å; W210-H243 AromaticContact CZ2-NE2 3.56Å; W210-F302 HydrophobicContact CH2-CB 4.41Å; W210-Y303 HydrophobicContact CB-CD2 4.38Å; W210-Y303 HydrophobicContact CB-CE2 4.38Å; W210-Y303 AromaticContact CD1-CD2 3.79Å; W210-Y303 AromaticContact CD1-CE2 3.66Å; W210-Y303 AromaticContact CD2-CD2 3.53Å; W210-Y303 HydrophobicContact CD2-CD2 3.53Å; W210-Y303 HydrophobicContact CD2-CE2 4.18Å; W210-Y303 AromaticContact CE2-CD2 3.61Å; W210-Y303 AromaticContact CE3-CD2 3.98Å; W210-Y303 HydrophobicContact CE3-CD2 3.98Å; W210-Y303 AromaticContact CG-CD2 3.68Å; W210-Y303 HydrophobicContact CG-CD2 3.68Å; W210-Y303 AromaticContact CG-CE2 3.84Å; W210-Y303 HydrophobicContact CG-CE2 3.84Å; W210-Y303 HydrophobicContact CZ2-CD2 4.17Å; W210-Y303 HydrophobicContact CZ3-CD2 4.48Å; W210-Y303 AromaticContact NE1-CD2 3.73Å; W210-Y303 AromaticContact NE1-CE2 3.87Å; W210-F306 HydrophobicContact CH2-CD2 4.4Å; W210-F306 HydrophobicContact CZ2-CD2 4.42Å
211	C	88.6	Confident	85	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-50.8	177	-64	0	0	0	0	111.3	L207 L208 R213 K214 T215 V223 W230 V299	L207-C211 PolarHBondContact O-N 3.09Å; L207-C211 PolarHBondContact O-SG 3.35Å; L208-C211 WeakPolarHBondContact O-CB 3.5Å; L208-C211 PolarHBondContact O-N 3.15Å; C211-R213 VanDerWaalsContact C-N 3.34Å; C211-R213 PolarHBondContact O-N 3.36Å; C211-K214 PolarHBondContact O-N 3.19Å; C211-T215 WeakPolarHBondContact O-CG2 3.32Å; C211-T215 PolarHBondContact O-N 3.14Å; C211-T215 PolarHBondContact O-OG1 3.3Å; C211-V223 HydrophobicContact CB-CG1 4.34Å; C211-W230 HydrophobicContact CB-CH2 3.97Å; C211-W230 HydrophobicContact CB-CZ2 4.04Å; C211-V299 WeakPolarHBondContact SG-CG1 3.28Å
212	Q	88.7	Confident	86	Confident	69 Å²	69	59.8 Å²	59.8	32%	0.322	30%	0.298	S	S	.	.	H	α-helix	trans	-55.5	-46.1	178.7	-76.2	171.4	-10.3	0	0	112.4	L208 L209 W210 T215 A216 V223	L208-Q212 WeakPolarHBondContact O-CB 3.25Å; L208-Q212 VanDerWaalsContact O-CG 3.31Å; L208-Q212 WeakPolarHBondContact O-CG 3.41Å; L208-Q212 PolarHBondContact O-N 3.3Å; L209-Q212 PolarHBondContact O-N 3.12Å; W210-Q212 PolarHBondContact O-N 3.5Å; Q212-T215 CarbonylContact O-C 3.56Å; Q212-T215 PolarHBondContact O-N 3.46Å; Q212-A216 WeakPolarHBondContact O-CA 3.39Å; Q212-A216 VanDerWaalsContact O-CB 3.23Å; Q212-A216 WeakPolarHBondContact O-CB 3.36Å; Q212-A216 PolarHBondContact O-N 3.49Å; Q212-V223 HydrophobicContact CG-CB 4.33Å; Q212-V223 WeakPolarHBondContact CG-O 3.47Å; Q212-V223 PolarHBondContact NE2-O 3.49Å
213	R	86.5	Confident	86.7	Confident	131 Å²	131	57 Å²	57	49%	0.494	28%	0.278	S	S	.	.	H	α-helix	trans	-66.6	-40.7	179.3	-77.8	-173.3	171	-175.4	1.1	112.6	E199 L209 W210 C211	E199-R213 VanDerWaalsContact CD-NH1 3.35Å; E199-R213 IonicContact OE1-CZ 3.43Å; E199-R213 IonicContact OE1-NH1 3.48Å; E199-R213 PolarHBondContact OE1-NH1 2.89Å; E199-R213 IonicContact OE1-NH2 2.71Å; E199-R213 PolarHBondContact OE1-NH2 3.38Å; E199-R213 IonicContact OE2-CZ 3.56Å; E199-R213 IonicContact OE2-NH1 2.86Å; E199-R213 IonicContact OE2-NH2 2.62Å; E199-R213 PolarHBondContact OE2-NH2 3.47Å; L209-R213 HydrophobicContact CD1-CG 4.38Å; L209-R213 WeakPolarHBondContact O-CB 3.37Å; L209-R213 WeakPolarHBondContact O-CG 3.36Å; L209-R213 PolarHBondContact O-N 3.12Å; W210-R213 PolarHBondContact O-N 3.48Å; C211-R213 VanDerWaalsContact C-N 3.34Å; C211-R213 PolarHBondContact O-N 3.36Å
214	K	88.3	Confident	87.2	Confident	47 Å²	47	62.1 Å²	62.1	20%	0.204	30%	0.299	C	S	.	.	H	α-helix	trans	-71.7	-32.9	179.5	-65.5	-61.7	-174.8	173.4	0	111.4	W210 C211 L239 R242 H243	W210-K214 HydrophobicContact CD2-CG 4.26Å; W210-K214 HydrophobicContact CG-CG 4.47Å; W210-K214 HydrophobicContact CZ2-CG 4.3Å; W210-K214 WeakPolarHBondContact O-CB 3.37Å; W210-K214 VanDerWaalsContact O-CG 3.3Å; W210-K214 WeakPolarHBondContact O-CG 3.3Å; W210-K214 PolarHBondContact O-N 3.12Å; C211-K214 PolarHBondContact O-N 3.19Å; K214-L239 HydrophobicContact CB-CD2 3.62Å; K214-R242 HydrophobicContact CB-CG 4.19Å; K214-R242 HydrophobicContact CD-CG 4.16Å; K214-R242 VanDerWaalsContact O-CG 3.31Å; K214-R242 WeakPolarHBondContact O-CG 3.29Å; K214-H243 WeakPolarHBondContact CD-NE2 3.41Å; K214-H243 VanDerWaalsContact CE-NE2 3.31Å; K214-H243 WeakPolarHBondContact CE-NE2 3.5Å; K214-H243 PolarHBondContact NZ-CE1 3.16Å
215	T	88.1	Confident	87.5	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-93.5	-8.4	177.9	64.3	0	0	0	0	114.6	C211 Q212 P217 Y218 V221 A238 L239	C211-T215 WeakPolarHBondContact O-CG2 3.32Å; C211-T215 PolarHBondContact O-N 3.14Å; C211-T215 PolarHBondContact O-OG1 3.3Å; Q212-T215 CarbonylContact O-C 3.56Å; Q212-T215 PolarHBondContact O-N 3.46Å; T215-P217 VanDerWaalsContact C-N 3.28Å; T215-P217 VanDerWaalsContact O-N 3.13Å; T215-Y218 WeakPolarHBondContact O-CD2 3.48Å; T215-Y218 PolarHBondContact O-N 3.24Å; T215-V221 HydrophobicContact CG2-CG1 4.3Å; T215-A238 HydrophobicContact CG2-CB 3.88Å; T215-L239 HydrophobicContact CG2-CD2 3.72Å; T215-L239 HydrophobicContact CG2-CG 3.83Å
216	A	88.4	Confident	87.8	Confident	77 Å²	77	54.3 Å²	54.3	64%	0.636	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-35	-179.6	0	0	0	0	0	115.1	Q212 Y218	Q212-A216 WeakPolarHBondContact O-CA 3.39Å; Q212-A216 VanDerWaalsContact O-CB 3.23Å; Q212-A216 WeakPolarHBondContact O-CB 3.36Å; Q212-A216 PolarHBondContact O-N 3.49Å; A216-Y218 PolarHBondContact O-N 2.82Å
217	P	88.1	Confident	87.9	Confident	85 Å²	85	56 Å²	56	55%	0.552	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-17.3	176.8	-23.1	35.8	0	0	0	114.9	T215 R219	T215-P217 VanDerWaalsContact C-N 3.28Å; T215-P217 VanDerWaalsContact O-N 3.13Å; P217-R219 PolarHBondContact O-N 3.3Å
218	Y	89.3	Confident	87.9	Confident	28 Å²	28	59 Å²	59	11%	0.11	29%	0.291	C	S	.	.			trans	-94.2	102.2	-173.5	-60	-93.9	0	0	0	110.7	T215 A216 N220 V221 A238 H241 R242 Y250	T215-Y218 WeakPolarHBondContact O-CD2 3.48Å; T215-Y218 PolarHBondContact O-N 3.24Å; A216-Y218 PolarHBondContact O-N 2.82Å; Y218-N220 PolarHBondContact O-N 2.72Å; Y218-N220 VanDerWaalsContact O-N 3.13Å; Y218-V221 PolarHBondContact O-N 2.93Å; Y218-A238 HydrophobicContact CD1-CB 4.13Å; Y218-A238 HydrophobicContact CD2-CB 3.76Å; Y218-A238 HydrophobicContact CE1-CB 4.3Å; Y218-A238 HydrophobicContact CE2-CB 3.94Å; Y218-A238 HydrophobicContact CG-CB 3.83Å; Y218-A238 PolarHBondContact OH-O 3.33Å; Y218-H241 AromaticContact CE1-ND1 3.55Å; Y218-H241 AromaticContact CZ-ND1 3.57Å; Y218-H241 PolarHBondContact OH-ND1 3.32Å; Y218-R242 HydrophobicContact CE2-CB 4.2Å; Y218-R242 WeakPolarHBondContact OH-CA 3.23Å; Y218-R242 PolarHBondContact OH-N 3.27Å; Y218-R242 VanDerWaalsContact OH-N 3.14Å; Y218-Y250 AromaticContact CD1-CD1 3.73Å; Y218-Y250 HydrophobicContact CD1-CD1 3.73Å; Y218-Y250 HydrophobicContact CD1-CD2 4.29Å; Y218-Y250 AromaticContact CD1-CE1 3.39Å; Y218-Y250 HydrophobicContact CD1-CE1 3.39Å; Y218-Y250 HydrophobicContact CD1-CE2 4.01Å; Y218-Y250 HydrophobicContact CD1-CG 4.16Å; Y218-Y250 AromaticContact CD1-CZ 3.54Å; Y218-Y250 AromaticContact CE1-CD1 3.9Å; Y218-Y250 HydrophobicContact CE1-CD1 3.9Å; Y218-Y250 HydrophobicContact CE1-CD2 4.03Å; Y218-Y250 HydrophobicContact CE1-CE1 4.01Å; Y218-Y250 HydrophobicContact CE1-CE2 4.15Å; Y218-Y250 AromaticContact CE1-CG 3.91Å; Y218-Y250 HydrophobicContact CE1-CG 3.91Å; Y218-Y250 HydrophobicContact CG-CE1 4.34Å
219	R	84.5	Confident	88	Confident	255 Å²	255	58.5 Å²	58.5	96%	0.962	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.3	-173.8	-63.6	-175.9	179.3	-176.3	-0.5	114.7	P217 V221	P217-R219 PolarHBondContact O-N 3.3Å; R219-V221 VanDerWaalsContact C-N 3.3Å
220	N	86.8	Confident	88.2	Confident	69 Å²	69	56.9 Å²	56.9	37%	0.369	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.6	180	60.6	-23	0	0	0	113.5	Y218 L234 Y250	Y218-N220 PolarHBondContact O-N 2.72Å; Y218-N220 VanDerWaalsContact O-N 3.13Å; N220-L234 HydrophobicContact CB-CD1 4.43Å; N220-Y250 WeakPolarHBondContact OD1-CE1 3.42Å; N220-Y250 PolarHBondContact OD1-OH 2.84Å
221	V	89.9	Confident	88.2	Confident	16 Å²	16	58.5 Å²	58.5	10%	0.097	29%	0.289	C	S	.	.			trans	-120.4	128.7	-178.6	173.8	0	0	0	0	110.1	T215 Y218 R219 V223 L234 A235 A238 Y250	T215-V221 HydrophobicContact CG2-CG1 4.3Å; Y218-V221 PolarHBondContact O-N 2.93Å; R219-V221 VanDerWaalsContact C-N 3.3Å; V221-V223 HydrophobicContact CG1-CG2 3.76Å; V221-L234 HydrophobicContact CG2-CB 3.65Å; V221-A235 HydrophobicContact CG1-CB 3.77Å; V221-A238 HydrophobicContact CG2-CB 4.22Å; V221-Y250 WeakPolarHBondContact CG2-OH 3.48Å
222	N	89.8	Confident	88.2	Confident	108 Å²	108	59.8 Å²	59.8	58%	0.578	30%	0.296	S	S	*	.			trans	-135.6	99.5	174.1	-175.6	11.3	0	0	0	110.4	Q224 S229	N222-Q224 PolarHBondContact ND2-NE2 2.81Å; N222-Q224 VanDerWaalsContact ND2-NE2 3.19Å; N222-S229 PolarHBondContact O-OG 3.22Å; N222-S229 VanDerWaalsContact O-OG 3.13Å
223	V	90.6	Very high	88.1	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.018	28%	0.281	C	S	.	.			trans	-89.9	107.3	-177.2	-172.7	0	0	0	0	110.2	L208 C211 Q212 V221 W230 A235	L208-V223 HydrophobicContact CD1-CG1 3.79Å; C211-V223 HydrophobicContact CB-CG1 4.34Å; Q212-V223 HydrophobicContact CG-CB 4.33Å; Q212-V223 WeakPolarHBondContact CG-O 3.47Å; Q212-V223 PolarHBondContact NE2-O 3.49Å; V221-V223 HydrophobicContact CG1-CG2 3.76Å; V223-W230 HydrophobicContact CG1-CH2 4.37Å; V223-W230 HydrophobicContact CG1-CZ2 3.53Å; V223-W230 HydrophobicContact CG2-CZ2 4.4Å; V223-A235 HydrophobicContact CG2-CB 3.86Å
224	Q	88.3	Confident	88.4	Confident	127 Å²	127	50.3 Å²	50.3	59%	0.593	26%	0.257	S	S	*	.			trans	-116.2	-21.4	-179.9	-64.4	-173.9	-15.9	0	0	113	N222 S229	N222-Q224 PolarHBondContact ND2-NE2 2.81Å; N222-Q224 VanDerWaalsContact ND2-NE2 3.19Å; Q224-S229 PolarHBondContact N-OG 3.23Å
225	N	89.1	Confident	88.5	Confident	30 Å²	30	48 Å²	48	16%	0.16	25%	0.248	C	C	.	.	S	Bend	trans	-151.2	171.2	-177	56.2	63.3	0	0	0	110	H227 T228 S229 W230	N225-H227 VanDerWaalsContact C-N 3.34Å; N225-H227 PolarHBondContact ND2-CE1 3.37Å; N225-H227 PolarHBondContact OD1-CE1 3.31Å; N225-H227 PolarHBondContact OD1-N 3.32Å; N225-H227 PolarHBondContact OD1-ND1 3.38Å; N225-H227 VanDerWaalsContact OD1-ND1 3.15Å; N225-T228 PolarHBondContact ND2-OG1 3.44Å; N225-T228 VanDerWaalsContact ND2-OG1 3.17Å; N225-T228 PolarHBondContact OD1-N 3.26Å; N225-T228 PolarHBondContact OD1-OG1 3.23Å; N225-S229 PolarHBondContact N-OG 3.21Å; N225-S229 WeakPolarHBondContact O-CB 3.47Å; N225-S229 PolarHBondContact OD1-N 3.3Å; N225-S229 VanDerWaalsContact OD1-N 3.1Å; N225-W230 PolarHBondContact O-NE1 3.35Å
226	F	88.8	Confident	88.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-94.7	25.1	174.8	-69.5	-75.6	0	0	0	113.2	K204 L207 L208 W230 E292 I295 M296 V299	K204-F226 HydrophobicContact CG-CD2 4.42Å; K204-F226 HydrophobicContact CG-CE2 4.08Å; L207-F226 HydrophobicContact CB-CZ 4.14Å; L207-F226 HydrophobicContact CD2-CE1 4.3Å; L207-F226 HydrophobicContact CD2-CZ 4.05Å; L207-F226 HydrophobicContact CG-CE1 4.26Å; L207-F226 HydrophobicContact CG-CZ 3.84Å; L208-F226 HydrophobicContact CB-CE2 3.74Å; L208-F226 HydrophobicContact CB-CZ 3.85Å; L208-F226 HydrophobicContact CD1-CD2 4.37Å; L208-F226 HydrophobicContact CD1-CE1 4.47Å; L208-F226 HydrophobicContact CD1-CE2 4.02Å; L208-F226 HydrophobicContact CD1-CZ 4.07Å; L208-F226 HydrophobicContact CG-CE2 4.38Å; F226-W230 HydrophobicContact CD1-CZ2 4.22Å; F226-W230 AromaticContact CD1-NE1 3.82Å; F226-W230 HydrophobicContact CE1-CZ2 4.2Å; F226-E292 HydrophobicContact CB-CG 3.61Å; F226-E292 WeakPolarHBondContact O-CA 3.46Å; F226-I295 HydrophobicContact CB-CG2 4.32Å; F226-I295 HydrophobicContact CD1-CG2 4.26Å; F226-I295 VanDerWaalsContact O-CB 3.23Å; F226-I295 WeakPolarHBondContact O-CB 3.31Å; F226-I295 WeakPolarHBondContact O-CD1 3.33Å; F226-I295 WeakPolarHBondContact O-CG2 3.37Å; F226-M296 HydrophobicContact CB-CG 3.55Å; F226-M296 HydrophobicContact CB-SD 4.4Å; F226-M296 HydrophobicContact CD1-CG 3.72Å; F226-M296 HydrophobicContact CD2-CG 3.41Å; F226-M296 VanDerWaalsContact CD2-CG 3.41Å; F226-M296 HydrophobicContact CD2-SD 3.81Å; F226-M296 HydrophobicContact CE1-CG 4.21Å; F226-M296 HydrophobicContact CE2-CG 3.92Å; F226-M296 HydrophobicContact CE2-SD 4.31Å; F226-M296 HydrophobicContact CG-CB 4.5Å; F226-M296 HydrophobicContact CG-CG 3.28Å; F226-M296 HydrophobicContact CG-SD 4.24Å; F226-M296 HydrophobicContact CZ-CG 4.29Å; F226-V299 HydrophobicContact CE1-CB 4.43Å; F226-V299 HydrophobicContact CE1-CG1 4.19Å
227	H	85	Confident	88.7	Confident	35 Å²	35	44.4 Å²	44.4	16%	0.162	22%	0.217	C	C	.	.	S	Bend	trans	-125.7	-78.1	175.9	49.8	74.9	0	0	0	112.9	N225 K289 P290	N225-H227 VanDerWaalsContact C-N 3.34Å; N225-H227 PolarHBondContact ND2-CE1 3.37Å; N225-H227 PolarHBondContact OD1-CE1 3.31Å; N225-H227 PolarHBondContact OD1-N 3.32Å; N225-H227 PolarHBondContact OD1-ND1 3.38Å; N225-H227 VanDerWaalsContact OD1-ND1 3.15Å; H227-K289 HydrophobicContact CB-CG 4.15Å; H227-K289 VanDerWaalsContact CD2-CE 3.49Å; H227-K289 WeakPolarHBondContact CD2-CE 3.3Å; H227-P290 WeakPolarHBondContact CB-O 3.48Å
228	T	86.7	Confident	88.8	Confident	64 Å²	64	40.4 Å²	40.4	39%	0.393	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-80.2	-25.7	-169.9	45.8	0	0	0	0	112.3	N225 W230 K231	N225-T228 PolarHBondContact ND2-OG1 3.44Å; N225-T228 VanDerWaalsContact ND2-OG1 3.17Å; N225-T228 PolarHBondContact OD1-N 3.26Å; N225-T228 PolarHBondContact OD1-OG1 3.23Å; T228-W230 PolarHBondContact O-N 3.37Å; T228-K231 WeakPolarHBondContact O-CB 3.46Å; T228-K231 PolarHBondContact O-N 3.14Å
229	S	89.5	Confident	88.9	Confident	19 Å²	19	39 Å²	39	13%	0.133	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-66	-15.9	177.1	-74.4	0	0	0	0	115	N222 Q224 N225	N222-S229 PolarHBondContact O-OG 3.22Å; N222-S229 VanDerWaalsContact O-OG 3.13Å; Q224-S229 PolarHBondContact N-OG 3.23Å; N225-S229 PolarHBondContact N-OG 3.21Å; N225-S229 WeakPolarHBondContact O-CB 3.47Å; N225-S229 PolarHBondContact OD1-N 3.3Å; N225-S229 VanDerWaalsContact OD1-N 3.1Å
230	W	90	Very high	89.1	Confident	3 Å²	3	26.9 Å²	26.9	1%	0.011	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-106.2	-1.8	-176.6	-57.9	86.2	0	0	0	112.5	C211 V223 N225 F226 T228 D232 G233 A235 L236 L239 I295 V299	C211-W230 HydrophobicContact CB-CH2 3.97Å; C211-W230 HydrophobicContact CB-CZ2 4.04Å; V223-W230 HydrophobicContact CG1-CH2 4.37Å; V223-W230 HydrophobicContact CG1-CZ2 3.53Å; V223-W230 HydrophobicContact CG2-CZ2 4.4Å; N225-W230 PolarHBondContact O-NE1 3.35Å; F226-W230 HydrophobicContact CD1-CZ2 4.22Å; F226-W230 AromaticContact CD1-NE1 3.82Å; F226-W230 HydrophobicContact CE1-CZ2 4.2Å; T228-W230 PolarHBondContact O-N 3.37Å; W230-D232 VanDerWaalsContact C-N 3.33Å; W230-D232 PolarHBondContact O-N 3.34Å; W230-G233 PolarHBondContact O-N 2.96Å; W230-A235 HydrophobicContact CD2-CB 4.07Å; W230-A235 HydrophobicContact CE3-CB 3.44Å; W230-A235 VanDerWaalsContact CE3-CB 3.44Å; W230-A235 HydrophobicContact CH2-CB 4.46Å; W230-A235 HydrophobicContact CZ3-CB 3.67Å; W230-L236 HydrophobicContact CE3-CD2 3.82Å; W230-L236 HydrophobicContact CE3-CG 3.8Å; W230-L236 HydrophobicContact CZ3-CD2 3.74Å; W230-L236 HydrophobicContact CZ3-CG 4.08Å; W230-L239 HydrophobicContact CH2-CD1 3.65Å; W230-L239 HydrophobicContact CZ3-CD1 3.8Å; W230-I295 HydrophobicContact CB-CD1 4.21Å; W230-I295 HydrophobicContact CB-CG2 4.16Å; W230-I295 HydrophobicContact CD2-CG2 4.04Å; W230-I295 HydrophobicContact CG-CG2 3.68Å; W230-V299 HydrophobicContact CD2-CG2 4.35Å; W230-V299 HydrophobicContact CE3-CG2 4.17Å; W230-V299 HydrophobicContact CH2-CG1 3.96Å; W230-V299 HydrophobicContact CH2-CG2 3.75Å; W230-V299 HydrophobicContact CZ2-CG1 4.24Å; W230-V299 HydrophobicContact CZ2-CG2 3.95Å; W230-V299 HydrophobicContact CZ3-CG2 3.88Å
231	K	87.6	Confident	89.3	Confident	58 Å²	58	26.1 Å²	26.1	25%	0.252	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-27.2	-169.5	-173.3	171	178.3	166.4	0	113.7	T228 G233 I284 V285 T287 P290	T228-K231 WeakPolarHBondContact O-CB 3.46Å; T228-K231 PolarHBondContact O-N 3.14Å; K231-G233 VanDerWaalsContact C-N 3.34Å; K231-I284 HydrophobicContact CG-CG2 4.39Å; K231-V285 WeakPolarHBondContact CE-O 3.42Å; K231-V285 PolarHBondContact NZ-O 2.62Å; K231-T287 PolarHBondContact NZ-O 3.12Å; K231-P290 HydrophobicContact CD-CG 4.49Å
232	D	88.3	Confident	89.3	Confident	28 Å²	28	31.1 Å²	31.1	15%	0.15	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.3	178	61.5	10.3	0	0	0	113.9	W230 L234 K255 N261	W230-D232 VanDerWaalsContact C-N 3.33Å; W230-D232 PolarHBondContact O-N 3.34Å; D232-L234 PolarHBondContact O-N 2.96Å; D232-L234 PolarHBondContact OD1-N 3.17Å; D232-K255 HydrophobicContact CB-CG 4.2Å; D232-K255 WeakPolarHBondContact OD2-CE 3.48Å; D232-N261 WeakPolarHBondContact O-CB 3.37Å; D232-N261 PolarHBondContact O-ND2 3.33Å
233	G	87.6	Confident	89.1	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	72.7	-16	179.1	0	0	0	0	0	115.9	W230 K231 A235 L236 C237 L262	W230-G233 PolarHBondContact O-N 2.96Å; K231-G233 VanDerWaalsContact C-N 3.34Å; G233-A235 VanDerWaalsContact C-N 3.29Å; G233-A235 PolarHBondContact O-N 2.78Å; G233-L236 PolarHBondContact O-N 3.03Å; G233-C237 PolarHBondContact O-N 3.37Å; G233-L262 VanDerWaalsContact CA-CD2 3.49Å
234	L	91	Very high	88.9	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-35.7	-176.1	-67.7	173.1	0	0	0	112.2	N220 V221 D232 L236 C237 A238 L253 K255	N220-L234 HydrophobicContact CB-CD1 4.43Å; V221-L234 HydrophobicContact CG2-CB 3.65Å; D232-L234 PolarHBondContact O-N 2.96Å; D232-L234 PolarHBondContact OD1-N 3.17Å; L234-L236 PolarHBondContact O-N 3.43Å; L234-C237 PolarHBondContact O-N 3.36Å; L234-A238 VanDerWaalsContact O-CB 3.31Å; L234-A238 WeakPolarHBondContact O-CB 3.36Å; L234-A238 PolarHBondContact O-N 3.4Å; L234-L253 HydrophobicContact CD2-CB 3.72Å; L234-K255 HydrophobicContact CD1-CB 4.01Å; L234-K255 HydrophobicContact CD1-CG 4.21Å
235	A	90.5	Very high	88.8	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62	-39.1	178.3	0	0	0	0	0	113.4	V221 V223 W230 G233 L239	V221-A235 HydrophobicContact CG1-CB 3.77Å; V223-A235 HydrophobicContact CG2-CB 3.86Å; W230-A235 HydrophobicContact CD2-CB 4.07Å; W230-A235 HydrophobicContact CE3-CB 3.44Å; W230-A235 VanDerWaalsContact CE3-CB 3.44Å; W230-A235 HydrophobicContact CH2-CB 4.46Å; W230-A235 HydrophobicContact CZ3-CB 3.67Å; G233-A235 VanDerWaalsContact C-N 3.29Å; G233-A235 PolarHBondContact O-N 2.78Å; A235-L239 PolarHBondContact O-N 3.37Å
236	L	90.8	Very high	88.6	Confident	5 Å²	5	34 Å²	34	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-70	-44.4	176.7	-73.2	173.1	0	0	0	111.2	W230 G233 L234 A238 L239 I240 L262 A265 F266 Y298 V299 F302	W230-L236 HydrophobicContact CE3-CD2 3.82Å; W230-L236 HydrophobicContact CE3-CG 3.8Å; W230-L236 HydrophobicContact CZ3-CD2 3.74Å; W230-L236 HydrophobicContact CZ3-CG 4.08Å; G233-L236 PolarHBondContact O-N 3.03Å; L234-L236 PolarHBondContact O-N 3.43Å; L236-A238 VanDerWaalsContact C-N 3.28Å; L236-A238 PolarHBondContact O-N 3.14Å; L236-L239 PolarHBondContact O-N 3.08Å; L236-I240 PolarHBondContact O-N 3.2Å; L236-L262 HydrophobicContact CD1-CD2 3.88Å; L236-A265 HydrophobicContact CB-CB 3.72Å; L236-F266 HydrophobicContact CD1-CD1 4.34Å; L236-F266 HydrophobicContact CD1-CE1 3.56Å; L236-F266 HydrophobicContact CD1-CZ 4.31Å; L236-Y298 HydrophobicContact CD1-CD1 4.3Å; L236-Y298 HydrophobicContact CD1-CE1 4.2Å; L236-Y298 HydrophobicContact CD2-CD1 4.24Å; L236-Y298 HydrophobicContact CD2-CE1 4.44Å; L236-V299 HydrophobicContact CD2-CG2 4.02Å; L236-F302 HydrophobicContact CD2-CE2 4.17Å
237	C	90.7	Very high	88.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.9	-39.3	175.3	-69	0	0	0	0	112.2	G233 L234 I240 H241 I248 Y250 L253 N261	G233-C237 PolarHBondContact O-N 3.37Å; L234-C237 PolarHBondContact O-N 3.36Å; C237-I240 PolarHBondContact O-N 3.5Å; C237-H241 WeakPolarHBondContact O-CB 3.44Å; C237-H241 PolarHBondContact O-N 3.24Å; C237-I248 HydrophobicContact CB-CD1 4.18Å; C237-I248 HydrophobicContact CB-CG2 4.41Å; C237-Y250 HydrophobicContact CB-CD2 4.12Å; C237-Y250 HydrophobicContact CB-CE2 3.96Å; C237-L253 HydrophobicContact CB-CD1 3.39Å; C237-N261 PolarHBondContact SG-O 3.19Å; C237-N261 VanDerWaalsContact SG-O 3.37Å
238	A	90.2	Very high	88.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-39.4	-179.7	0	0	0	0	0	112.1	T215 Y218 V221 L234 L236 R242 Y250	T215-A238 HydrophobicContact CG2-CB 3.88Å; Y218-A238 HydrophobicContact CD1-CB 4.13Å; Y218-A238 HydrophobicContact CD2-CB 3.76Å; Y218-A238 HydrophobicContact CE1-CB 4.3Å; Y218-A238 HydrophobicContact CE2-CB 3.94Å; Y218-A238 HydrophobicContact CG-CB 3.83Å; Y218-A238 PolarHBondContact OH-O 3.33Å; V221-A238 HydrophobicContact CG2-CB 4.22Å; L234-A238 VanDerWaalsContact O-CB 3.31Å; L234-A238 WeakPolarHBondContact O-CB 3.36Å; L234-A238 PolarHBondContact O-N 3.4Å; L236-A238 VanDerWaalsContact C-N 3.28Å; L236-A238 PolarHBondContact O-N 3.14Å; A238-R242 VanDerWaalsContact O-CB 3.3Å; A238-R242 WeakPolarHBondContact O-CB 3.21Å; A238-R242 PolarHBondContact O-N 2.69Å; A238-Y250 HydrophobicContact CB-CE2 3.66Å
239	L	90.3	Very high	88.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-46	175.3	-78.4	-178.6	0	0	0	112	W210 K214 T215 W230 A235 L236 R242 V299	W210-L239 HydrophobicContact CE3-CD2 4.5Å; W210-L239 HydrophobicContact CH2-CD1 4.39Å; W210-L239 HydrophobicContact CH2-CD2 4.11Å; W210-L239 HydrophobicContact CZ3-CD1 3.94Å; W210-L239 HydrophobicContact CZ3-CD2 3.97Å; K214-L239 HydrophobicContact CB-CD2 3.62Å; T215-L239 HydrophobicContact CG2-CD2 3.72Å; T215-L239 HydrophobicContact CG2-CG 3.83Å; W230-L239 HydrophobicContact CH2-CD1 3.65Å; W230-L239 HydrophobicContact CZ3-CD1 3.8Å; A235-L239 PolarHBondContact O-N 3.37Å; L236-L239 PolarHBondContact O-N 3.08Å; L239-R242 PolarHBondContact O-N 2.67Å; L239-V299 HydrophobicContact CD1-CG1 4.32Å
240	I	89.9	Confident	88.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-52	178.4	-63.2	166.8	0	0	0	109.8	L236 C237 R242 H243 R244 L247 I248 A265 V268 A269 L273 F302	L236-I240 PolarHBondContact O-N 3.2Å; C237-I240 PolarHBondContact O-N 3.5Å; I240-R242 PolarHBondContact O-N 2.88Å; I240-H243 PolarHBondContact O-N 3.38Å; I240-R244 CarbonylContact O-C 3.36Å; I240-R244 WeakPolarHBondContact O-CA 3.43Å; I240-R244 PolarHBondContact O-N 2.84Å; I240-L247 HydrophobicContact CG2-CB 4.29Å; I240-I248 HydrophobicContact CB-CD1 3.72Å; I240-I248 HydrophobicContact CB-CG1 4.47Å; I240-I248 HydrophobicContact CD1-CD1 3.8Å; I240-I248 HydrophobicContact CG1-CD1 4.36Å; I240-I248 HydrophobicContact CG2-CD1 3.67Å; I240-I248 HydrophobicContact CG2-CG1 3.94Å; I240-A265 HydrophobicContact CD1-CB 4.18Å; I240-V268 HydrophobicContact CG2-CG1 3.92Å; I240-A269 HydrophobicContact CD1-CB 4.46Å; I240-L273 HydrophobicContact CG1-CD1 4.26Å; I240-L273 HydrophobicContact CG2-CD1 4.33Å; I240-F302 HydrophobicContact CD1-CE1 3.59Å; I240-F302 HydrophobicContact CD1-CZ 4.05Å; I240-F302 HydrophobicContact CG1-CD1 4Å; I240-F302 HydrophobicContact CG1-CE1 3.48Å; I240-F302 VanDerWaalsContact CG1-CE1 3.48Å; I240-F302 HydrophobicContact CG1-CZ 4.35Å
241	H	91.4	Very high	88.5	Confident	53 Å²	53	39.7 Å²	39.7	25%	0.245	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-31	-179.4	-178	-104	0	0	0	112.7	Y218 C237 H243 R244 P245 I248 Y250	Y218-H241 AromaticContact CE1-ND1 3.55Å; Y218-H241 AromaticContact CZ-ND1 3.57Å; Y218-H241 PolarHBondContact OH-ND1 3.32Å; C237-H241 WeakPolarHBondContact O-CB 3.44Å; C237-H241 PolarHBondContact O-N 3.24Å; H241-H243 VanDerWaalsContact C-N 3.34Å; H241-H243 PolarHBondContact O-N 2.68Å; H241-R244 CarbonylContact O-C 3.59Å; H241-P245 VanDerWaalsContact CD2-CA 3.43Å; H241-P245 WeakPolarHBondContact CD2-CA 3.16Å; H241-P245 PolarHBondContact CD2-O 3.28Å; H241-P245 WeakPolarHBondContact O-CA 3.28Å; H241-P245 WeakPolarHBondContact O-CB 3.28Å; H241-P245 WeakPolarHBondContact O-CD 3.43Å; H241-P245 VanDerWaalsContact O-N 3.09Å; H241-I248 HydrophobicContact CB-CB 4.47Å; H241-I248 PolarHBondContact CD2-O 2.91Å; H241-Y250 HydrophobicContact CB-CD2 4.39Å
242	R	89.6	Confident	88.4	Confident	120 Å²	120	44.6 Å²	44.6	45%	0.453	23%	0.227	S	C	.	.	H	α-helix	trans	-66.2	-35.4	179.2	-177.1	63.3	-177.8	91	-6.3	113.4	K214 Y218 A238 L239 I240	K214-R242 HydrophobicContact CB-CG 4.19Å; K214-R242 HydrophobicContact CD-CG 4.16Å; K214-R242 VanDerWaalsContact O-CG 3.31Å; K214-R242 WeakPolarHBondContact O-CG 3.29Å; Y218-R242 HydrophobicContact CE2-CB 4.2Å; Y218-R242 WeakPolarHBondContact OH-CA 3.23Å; Y218-R242 PolarHBondContact OH-N 3.27Å; Y218-R242 VanDerWaalsContact OH-N 3.14Å; A238-R242 VanDerWaalsContact O-CB 3.3Å; A238-R242 WeakPolarHBondContact O-CB 3.21Å; A238-R242 PolarHBondContact O-N 2.69Å; L239-R242 PolarHBondContact O-N 2.67Å; I240-R242 PolarHBondContact O-N 2.88Å
243	H	86.3	Confident	88.4	Confident	44 Å²	44	44.5 Å²	44.5	20%	0.204	23%	0.226	C	C	.	.	H	α-helix	trans	-95.3	-33.8	-178.7	-78.2	-88.9	0	0	0	112.2	W210 K214 I240 H241 F306	W210-H243 AromaticContact CZ2-NE2 3.56Å; K214-H243 WeakPolarHBondContact CD-NE2 3.41Å; K214-H243 VanDerWaalsContact CE-NE2 3.31Å; K214-H243 WeakPolarHBondContact CE-NE2 3.5Å; K214-H243 PolarHBondContact NZ-CE1 3.16Å; I240-H243 PolarHBondContact O-N 3.38Å; H241-H243 VanDerWaalsContact C-N 3.34Å; H241-H243 PolarHBondContact O-N 2.68Å; H243-F306 HydrophobicContact CB-CD1 3.6Å; H243-F306 HydrophobicContact CB-CD2 4.03Å; H243-F306 HydrophobicContact CB-CE1 3.61Å; H243-F306 HydrophobicContact CB-CE2 4.03Å; H243-F306 HydrophobicContact CB-CG 3.83Å; H243-F306 HydrophobicContact CB-CZ 3.82Å; H243-F306 AromaticContact CD2-CD2 3.77Å; H243-F306 AromaticContact CG-CD1 3.94Å; H243-F306 AromaticContact CG-CD2 3.77Å; H243-F306 AromaticContact CG-CG 3.65Å; H243-F306 AromaticContact ND1-CG 3.8Å
244	R	85.4	Confident	88.3	Confident	102 Å²	102	52.8 Å²	52.8	39%	0.385	26%	0.257	S	S	.	.			trans	-138	76.5	-177.8	-70	-62.2	-61.8	-91.2	-3.7	109.4	I240 H241 D246 L247 F306	I240-R244 CarbonylContact O-C 3.36Å; I240-R244 WeakPolarHBondContact O-CA 3.43Å; I240-R244 PolarHBondContact O-N 2.84Å; H241-R244 CarbonylContact O-C 3.59Å; R244-D246 VanDerWaalsContact CA-OD1 3.28Å; R244-D246 WeakPolarHBondContact CA-OD1 3.43Å; R244-D246 WeakPolarHBondContact CB-OD1 3.4Å; R244-D246 IonicContact CZ-OD1 3.72Å; R244-D246 IonicContact CZ-OD2 2.93Å; R244-D246 IonicContact NE-OD1 2.86Å; R244-D246 PolarHBondContact NE-OD1 3.44Å; R244-D246 IonicContact NE-OD2 3.89Å; R244-D246 PolarHBondContact NE-OD2 3.47Å; R244-D246 IonicContact NH2-OD1 2.81Å; R244-D246 IonicContact NH2-OD2 3.81Å; R244-D246 PolarHBondContact NH2-OD2 3.23Å; R244-D246 PolarHBondContact O-N 3.42Å; R244-D246 VanDerWaalsContact O-N 3.17Å; R244-L247 HydrophobicContact CB-CB 4.42Å; R244-L247 HydrophobicContact CB-CD1 3.61Å; R244-L247 HydrophobicContact CB-CG 3.89Å; R244-L247 HydrophobicContact CG-CD1 4.09Å; R244-L247 PolarHBondContact O-N 3.01Å; R244-L247 VanDerWaalsContact O-N 3.14Å; R244-F306 HydrophobicContact CG-CE1 4Å
245	P	85.6	Confident	88	Confident	80 Å²	80	59.5 Å²	59.5	52%	0.519	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-63.7	-20.1	-178	25.4	-33.6	0	0	0	112.7	H241 L247	H241-P245 VanDerWaalsContact CD2-CA 3.43Å; H241-P245 WeakPolarHBondContact CD2-CA 3.16Å; H241-P245 PolarHBondContact CD2-O 3.28Å; H241-P245 WeakPolarHBondContact O-CA 3.28Å; H241-P245 WeakPolarHBondContact O-CB 3.28Å; H241-P245 WeakPolarHBondContact O-CD 3.43Å; H241-P245 VanDerWaalsContact O-N 3.09Å; P245-L247 PolarHBondContact O-N 3.48Å
246	D	84.6	Confident	87.7	Confident	103 Å²	103	65.5 Å²	65.5	55%	0.551	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-65.2	-21.1	175.4	57.6	-54.4	0	0	0	114.2	R244	R244-D246 VanDerWaalsContact CA-OD1 3.28Å; R244-D246 WeakPolarHBondContact CA-OD1 3.43Å; R244-D246 WeakPolarHBondContact CB-OD1 3.4Å; R244-D246 IonicContact CZ-OD1 3.72Å; R244-D246 IonicContact CZ-OD2 2.93Å; R244-D246 IonicContact NE-OD1 2.86Å; R244-D246 PolarHBondContact NE-OD1 3.44Å; R244-D246 IonicContact NE-OD2 3.89Å; R244-D246 PolarHBondContact NE-OD2 3.47Å; R244-D246 IonicContact NH2-OD1 2.81Å; R244-D246 IonicContact NH2-OD2 3.81Å; R244-D246 PolarHBondContact NH2-OD2 3.23Å; R244-D246 PolarHBondContact O-N 3.42Å; R244-D246 VanDerWaalsContact O-N 3.17Å
247	L	87.6	Confident	87.7	Confident	30 Å²	30	69.2 Å²	69.2	16%	0.157	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-96.1	-19.1	-169.2	-63	-179.3	0	0	0	115.2	I240 R244 P245 V268 Y272 L273	I240-L247 HydrophobicContact CG2-CB 4.29Å; R244-L247 HydrophobicContact CB-CB 4.42Å; R244-L247 HydrophobicContact CB-CD1 3.61Å; R244-L247 HydrophobicContact CB-CG 3.89Å; R244-L247 HydrophobicContact CG-CD1 4.09Å; R244-L247 PolarHBondContact O-N 3.01Å; R244-L247 VanDerWaalsContact O-N 3.14Å; P245-L247 PolarHBondContact O-N 3.48Å; L247-V268 HydrophobicContact CB-CG1 3.78Å; L247-V268 HydrophobicContact CD1-CG1 4.38Å; L247-Y272 HydrophobicContact CD2-CD1 4.18Å; L247-Y272 HydrophobicContact CD2-CD2 4.13Å; L247-Y272 HydrophobicContact CD2-CG 3.84Å; L247-L273 HydrophobicContact CD1-CD2 3.95Å; L247-L273 HydrophobicContact CD1-CG 4.41Å
248	I	88.7	Confident	87.5	Confident	10 Å²	10	70.6 Å²	70.6	5%	0.051	35%	0.347	C	S	.	.			trans	-137.6	127.5	-178	-65.5	-171.5	0	0	0	110.3	C237 I240 H241 Y250 L253 V268	C237-I248 HydrophobicContact CB-CD1 4.18Å; C237-I248 HydrophobicContact CB-CG2 4.41Å; I240-I248 HydrophobicContact CB-CD1 3.72Å; I240-I248 HydrophobicContact CB-CG1 4.47Å; I240-I248 HydrophobicContact CD1-CD1 3.8Å; I240-I248 HydrophobicContact CG1-CD1 4.36Å; I240-I248 HydrophobicContact CG2-CD1 3.67Å; I240-I248 HydrophobicContact CG2-CG1 3.94Å; H241-I248 HydrophobicContact CB-CB 4.47Å; H241-I248 PolarHBondContact CD2-O 2.91Å; I248-Y250 PolarHBondContact O-N 3.35Å; I248-Y250 VanDerWaalsContact O-N 3.14Å; I248-L253 HydrophobicContact CG2-CD1 4.02Å; I248-V268 HydrophobicContact CD1-CB 4.37Å; I248-V268 HydrophobicContact CD1-CG1 4.25Å; I248-V268 HydrophobicContact CD1-CG2 4.45Å; I248-V268 HydrophobicContact CG1-CB 4.32Å; I248-V268 HydrophobicContact CG1-CG1 3.96Å; I248-V268 HydrophobicContact CG1-CG2 4.07Å
249	D	88.1	Confident	87.4	Confident	82 Å²	82	73.5 Å²	73.5	44%	0.439	36%	0.362	S	S	.	.			trans	-82.7	88.7	168.1	-173.5	-9	0	0	0	110.1	A251 K252	D249-A251 PolarHBondContact O-N 3.38Å; D249-A251 PolarHBondContact OD1-N 2.74Å; D249-K252 HydrophobicContact CB-CD 4.31Å; D249-K252 PolarHBondContact O-N 2.94Å; D249-K252 VanDerWaalsContact OD2-CD 3.27Å; D249-K252 WeakPolarHBondContact OD2-CD 2.95Å; D249-K252 WeakPolarHBondContact OD2-CE 3.43Å; D249-K252 IonicContact OD2-NZ 2.87Å; D249-K252 PolarHBondContact OD2-NZ 3.19Å
250	Y	88.8	Confident	87.3	Confident	24 Å²	24	74.5 Å²	74.5	9%	0.094	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-64.5	-23.7	-172.6	-163.9	-90.3	0	0	0	113.2	Y218 N220 V221 C237 A238 H241 I248 K252 L253	Y218-Y250 AromaticContact CD1-CD1 3.73Å; Y218-Y250 HydrophobicContact CD1-CD1 3.73Å; Y218-Y250 HydrophobicContact CD1-CD2 4.29Å; Y218-Y250 AromaticContact CD1-CE1 3.39Å; Y218-Y250 HydrophobicContact CD1-CE1 3.39Å; Y218-Y250 HydrophobicContact CD1-CE2 4.01Å; Y218-Y250 HydrophobicContact CD1-CG 4.16Å; Y218-Y250 AromaticContact CD1-CZ 3.54Å; Y218-Y250 AromaticContact CE1-CD1 3.9Å; Y218-Y250 HydrophobicContact CE1-CD1 3.9Å; Y218-Y250 HydrophobicContact CE1-CD2 4.03Å; Y218-Y250 HydrophobicContact CE1-CE1 4.01Å; Y218-Y250 HydrophobicContact CE1-CE2 4.15Å; Y218-Y250 AromaticContact CE1-CG 3.91Å; Y218-Y250 HydrophobicContact CE1-CG 3.91Å; Y218-Y250 HydrophobicContact CG-CE1 4.34Å; N220-Y250 WeakPolarHBondContact OD1-CE1 3.42Å; N220-Y250 PolarHBondContact OD1-OH 2.84Å; V221-Y250 WeakPolarHBondContact CG2-OH 3.48Å; C237-Y250 HydrophobicContact CB-CD2 4.12Å; C237-Y250 HydrophobicContact CB-CE2 3.96Å; A238-Y250 HydrophobicContact CB-CE2 3.66Å; H241-Y250 HydrophobicContact CB-CD2 4.39Å; I248-Y250 PolarHBondContact O-N 3.35Å; I248-Y250 VanDerWaalsContact O-N 3.14Å; Y250-K252 VanDerWaalsContact C-N 3.28Å; Y250-K252 PolarHBondContact O-N 3.19Å; Y250-L253 HydrophobicContact CD2-CD1 3.85Å; Y250-L253 HydrophobicContact CE2-CD1 4.16Å; Y250-L253 HydrophobicContact CG-CD1 4.39Å; Y250-L253 PolarHBondContact O-N 3.39Å
251	A	85.3	Confident	87.3	Confident	95 Å²	95	74.7 Å²	74.7	79%	0.785	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-70.5	-22.7	-177.4	0	0	0	0	0	113.5	D249	D249-A251 PolarHBondContact O-N 3.38Å; D249-A251 PolarHBondContact OD1-N 2.74Å
252	K	86.6	Confident	87.2	Confident	161 Å²	161	72.2 Å²	72.2	70%	0.7	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-83	-15.3	179.8	-70.8	177	178	140	0	113.6	D249 Y250	D249-K252 HydrophobicContact CB-CD 4.31Å; D249-K252 PolarHBondContact O-N 2.94Å; D249-K252 VanDerWaalsContact OD2-CD 3.27Å; D249-K252 WeakPolarHBondContact OD2-CD 2.95Å; D249-K252 WeakPolarHBondContact OD2-CE 3.43Å; D249-K252 IonicContact OD2-NZ 2.87Å; D249-K252 PolarHBondContact OD2-NZ 3.19Å; Y250-K252 VanDerWaalsContact C-N 3.28Å; Y250-K252 PolarHBondContact O-N 3.19Å
253	L	87.4	Confident	87.3	Confident	25 Å²	25	69.3 Å²	69.3	13%	0.131	36%	0.356	C	S	.	.			trans	-78.1	136.4	-175.8	-57.3	174.6	0	0	0	110.8	L234 C237 I248 Y250 N261	L234-L253 HydrophobicContact CD2-CB 3.72Å; C237-L253 HydrophobicContact CB-CD1 3.39Å; I248-L253 HydrophobicContact CG2-CD1 4.02Å; Y250-L253 HydrophobicContact CD2-CD1 3.85Å; Y250-L253 HydrophobicContact CE2-CD1 4.16Å; Y250-L253 HydrophobicContact CG-CD1 4.39Å; Y250-L253 PolarHBondContact O-N 3.39Å; L253-N261 WeakPolarHBondContact CD2-OD1 2.78Å
254	R	84.6	Confident	87.4	Confident	175 Å²	175	69.7 Å²	69.7	66%	0.66	36%	0.361	S	S	*	.			trans	-128.5	148.7	-179.6	-53.9	-176.1	165.8	-168.9	-2.2	111.6	D256 D257 N261	R254-D256 VanDerWaalsContact C-N 3.28Å; R254-D256 WeakPolarHBondContact CB-OD1 3.38Å; R254-D256 PolarHBondContact O-N 3.47Å; R254-D257 PolarHBondContact O-N 2.71Å; R254-N261 PolarHBondContact O-ND2 3.26Å
255	K	84.7	Confident	87.7	Confident	141 Å²	141	64.9 Å²	64.9	61%	0.613	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.4	-174	-168.4	173.6	-177.7	175.7	0	113.6	D232 L234 D257	D232-K255 HydrophobicContact CB-CG 4.2Å; D232-K255 WeakPolarHBondContact OD2-CE 3.48Å; L234-K255 HydrophobicContact CD1-CB 4.01Å; L234-K255 HydrophobicContact CD1-CG 4.21Å; K255-D257 VanDerWaalsContact C-N 3.3Å
256	D	85.9	Confident	87.9	Confident	126 Å²	126	61.1 Å²	61.1	67%	0.674	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.8	178.3	54.2	-41	0	0	0	113.9	R254 P258	R254-D256 VanDerWaalsContact C-N 3.28Å; R254-D256 WeakPolarHBondContact CB-OD1 3.38Å; R254-D256 PolarHBondContact O-N 3.47Å; D256-P258 WeakPolarHBondContact O-CD 3.47Å
257	D	89.4	Confident	88.1	Confident	83 Å²	83	61.4 Å²	61.4	44%	0.444	32%	0.316	S	S	.	.			trans	-115.2	70.9	174.1	-176.5	18	0	0	0	112.2	R254 K255 I259 G260 N261	R254-D257 PolarHBondContact O-N 2.71Å; K255-D257 VanDerWaalsContact C-N 3.3Å; D257-I259 VanDerWaalsContact C-N 3.31Å; D257-I259 PolarHBondContact O-N 3.39Å; D257-G260 PolarHBondContact OD1-N 2.94Å; D257-G260 WeakPolarHBondContact OD2-CA 3.39Å; D257-N261 PolarHBondContact O-N 3.38Å; D257-N261 PolarHBondContact O-ND2 3.33Å; D257-N261 VanDerWaalsContact O-ND2 3.17Å
258	P	86.8	Confident	88.2	Confident	29 Å²	29	60.8 Å²	60.8	19%	0.188	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-31.4	-177.1	29	-36.9	0	0	0	112.9	D256 L262 V285	D256-P258 WeakPolarHBondContact O-CD 3.47Å; P258-L262 WeakPolarHBondContact O-CB 3.28Å; P258-L262 WeakPolarHBondContact O-CD1 3.48Å; P258-L262 VanDerWaalsContact O-CG 3.28Å; P258-L262 WeakPolarHBondContact O-CG 3.32Å; P258-L262 PolarHBondContact O-N 3.22Å; P258-L262 VanDerWaalsContact O-N 3.15Å; P258-V285 HydrophobicContact CB-CG2 3.8Å; P258-V285 HydrophobicContact CG-CG1 3.91Å; P258-V285 HydrophobicContact CG-CG2 4.01Å
259	I	88.3	Confident	88.2	Confident	61 Å²	61	60.3 Å²	60.3	31%	0.313	31%	0.311	S	S	.	.	H	α-helix	trans	-71.1	-45.9	-179.9	-63.7	174.6	0	0	0	110.3	D257 L262 N263 A281 V285	D257-I259 VanDerWaalsContact C-N 3.31Å; D257-I259 PolarHBondContact O-N 3.39Å; I259-L262 PolarHBondContact O-N 3.4Å; I259-N263 WeakPolarHBondContact O-CB 3.49Å; I259-N263 PolarHBondContact O-N 3.47Å; I259-N263 PolarHBondContact O-ND2 3.02Å; I259-A281 HydrophobicContact CG2-CB 4.25Å; I259-V285 HydrophobicContact CG1-CB 4.24Å; I259-V285 HydrophobicContact CG1-CG1 4.37Å; I259-V285 HydrophobicContact CG1-CG2 3.92Å
260	G	88.3	Confident	88.2	Confident	21 Å²	21	60.6 Å²	60.6	22%	0.216	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-42.2	176.9	0	0	0	0	0	112.7	D257 T264	D257-G260 PolarHBondContact OD1-N 2.94Å; D257-G260 WeakPolarHBondContact OD2-CA 3.39Å; G260-T264 WeakPolarHBondContact O-CB 3.42Å; G260-T264 PolarHBondContact O-N 3.19Å; G260-T264 PolarHBondContact O-OG1 3.1Å
261	N	90.4	Very high	88.1	Confident	3 Å²	3	66.8 Å²	66.8	2%	0.016	34%	0.337	C	S	.	.	H	α-helix	trans	-61.8	-47.1	177.2	-65.8	-23.7	0	0	0	112.2	D232 C237 L253 R254 D257 T264 A265	D232-N261 WeakPolarHBondContact O-CB 3.37Å; D232-N261 PolarHBondContact O-ND2 3.33Å; C237-N261 PolarHBondContact SG-O 3.19Å; C237-N261 VanDerWaalsContact SG-O 3.37Å; L253-N261 WeakPolarHBondContact CD2-OD1 2.78Å; R254-N261 PolarHBondContact O-ND2 3.26Å; D257-N261 PolarHBondContact O-N 3.38Å; D257-N261 PolarHBondContact O-ND2 3.33Å; D257-N261 VanDerWaalsContact O-ND2 3.17Å; N261-T264 PolarHBondContact O-N 2.84Å; N261-A265 PolarHBondContact O-N 2.84Å
262	L	89.6	Confident	88.1	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-48	179.7	-75.3	169	0	0	0	111.5	G233 L236 P258 I259 T264 A265 F266 A281 I284 V285	G233-L262 VanDerWaalsContact CA-CD2 3.49Å; L236-L262 HydrophobicContact CD1-CD2 3.88Å; P258-L262 WeakPolarHBondContact O-CB 3.28Å; P258-L262 WeakPolarHBondContact O-CD1 3.48Å; P258-L262 VanDerWaalsContact O-CG 3.28Å; P258-L262 WeakPolarHBondContact O-CG 3.32Å; P258-L262 PolarHBondContact O-N 3.22Å; P258-L262 VanDerWaalsContact O-N 3.15Å; I259-L262 PolarHBondContact O-N 3.4Å; L262-T264 VanDerWaalsContact C-N 3.32Å; L262-T264 PolarHBondContact O-N 3.23Å; L262-A265 PolarHBondContact O-N 3.02Å; L262-F266 HydrophobicContact CB-CE2 3.97Å; L262-F266 HydrophobicContact CB-CZ 4.15Å; L262-F266 HydrophobicContact CD2-CE1 4.41Å; L262-F266 HydrophobicContact CD2-CZ 3.95Å; L262-F266 WeakPolarHBondContact O-CB 3.44Å; L262-F266 WeakPolarHBondContact O-CD1 3.26Å; L262-F266 VanDerWaalsContact O-CD2 3.27Å; L262-F266 WeakPolarHBondContact O-CD2 3.49Å; L262-F266 WeakPolarHBondContact O-CG 3.47Å; L262-F266 PolarHBondContact O-N 3.28Å; L262-A281 HydrophobicContact CB-CB 3.76Å; L262-A281 HydrophobicContact CD1-CB 4.26Å; L262-I284 HydrophobicContact CD1-CB 4.01Å; L262-I284 HydrophobicContact CD1-CD1 4.25Å; L262-I284 HydrophobicContact CD1-CG2 3.83Å; L262-I284 HydrophobicContact CD2-CD1 4.3Å; L262-V285 HydrophobicContact CD1-CG2 3.89Å
263	N	90.5	Very high	88	Confident	60 Å²	60	61.9 Å²	61.9	32%	0.321	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-38.2	178.3	-77.8	-35.9	0	0	0	112.4	I259 F266 E267 A281	I259-N263 WeakPolarHBondContact O-CB 3.49Å; I259-N263 PolarHBondContact O-N 3.47Å; I259-N263 PolarHBondContact O-ND2 3.02Å; N263-F266 PolarHBondContact O-N 2.94Å; N263-E267 WeakPolarHBondContact O-CB 3.39Å; N263-E267 WeakPolarHBondContact O-CG 3.18Å; N263-E267 PolarHBondContact O-N 3.38Å; N263-A281 WeakPolarHBondContact OD1-CB 3.35Å
264	T	89.4	Confident	87.8	Confident	52 Å²	52	65.3 Å²	65.3	32%	0.319	32%	0.316	S	S	.	.	H	α-helix	trans	-60.9	-47.3	174.4	-56.9	0	0	0	0	111.2	G260 N261 L262 F266 E267 V268	G260-T264 WeakPolarHBondContact O-CB 3.42Å; G260-T264 PolarHBondContact O-N 3.19Å; G260-T264 PolarHBondContact O-OG1 3.1Å; N261-T264 PolarHBondContact O-N 2.84Å; L262-T264 VanDerWaalsContact C-N 3.32Å; L262-T264 PolarHBondContact O-N 3.23Å; T264-F266 VanDerWaalsContact C-N 3.33Å; T264-F266 PolarHBondContact O-N 3.17Å; T264-E267 PolarHBondContact O-N 3.42Å; T264-V268 WeakPolarHBondContact O-CB 3.49Å; T264-V268 VanDerWaalsContact O-CG2 3.29Å; T264-V268 WeakPolarHBondContact O-CG2 3.35Å; T264-V268 PolarHBondContact O-N 3.34Å
265	A	90.4	Very high	87.8	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-42.4	176.9	0	0	0	0	0	111.9	L236 I240 N261 L262 A269	L236-A265 HydrophobicContact CB-CB 3.72Å; I240-A265 HydrophobicContact CD1-CB 4.18Å; N261-A265 PolarHBondContact O-N 2.84Å; L262-A265 PolarHBondContact O-N 3.02Å; A265-A269 WeakPolarHBondContact O-CB 3.07Å; A265-A269 PolarHBondContact O-N 2.94Å
266	F	91.4	Very high	87.7	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.009	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-43.5	-179.8	-62.2	-19.6	0	0	0	112.3	L236 L262 N263 T264 A269 E270 K277 L279 A281 I284 Y298	L236-F266 HydrophobicContact CD1-CD1 4.34Å; L236-F266 HydrophobicContact CD1-CE1 3.56Å; L236-F266 HydrophobicContact CD1-CZ 4.31Å; L262-F266 HydrophobicContact CB-CE2 3.97Å; L262-F266 HydrophobicContact CB-CZ 4.15Å; L262-F266 HydrophobicContact CD2-CE1 4.41Å; L262-F266 HydrophobicContact CD2-CZ 3.95Å; L262-F266 WeakPolarHBondContact O-CB 3.44Å; L262-F266 WeakPolarHBondContact O-CD1 3.26Å; L262-F266 VanDerWaalsContact O-CD2 3.27Å; L262-F266 WeakPolarHBondContact O-CD2 3.49Å; L262-F266 WeakPolarHBondContact O-CG 3.47Å; L262-F266 PolarHBondContact O-N 3.28Å; N263-F266 PolarHBondContact O-N 2.94Å; T264-F266 VanDerWaalsContact C-N 3.33Å; T264-F266 PolarHBondContact O-N 3.17Å; F266-A269 PolarHBondContact O-N 3.15Å; F266-E270 WeakPolarHBondContact O-CB 3.41Å; F266-E270 PolarHBondContact O-N 3.43Å; F266-K277 HydrophobicContact CB-CD 4.27Å; F266-K277 HydrophobicContact CB-CG 4.02Å; F266-L279 HydrophobicContact CE1-CB 4.18Å; F266-L279 HydrophobicContact CE1-CD1 4.37Å; F266-L279 HydrophobicContact CE2-CB 4.09Å; F266-L279 VanDerWaalsContact CE2-O 3.29Å; F266-L279 WeakPolarHBondContact CE2-O 3.3Å; F266-L279 HydrophobicContact CZ-CB 3.6Å; F266-L279 HydrophobicContact CZ-CD1 4.3Å; F266-A281 HydrophobicContact CE2-CB 4.2Å; F266-I284 HydrophobicContact CZ-CD1 3.91Å; F266-Y298 HydrophobicContact CD1-CD1 4.47Å; F266-Y298 AromaticContact CD1-CE1 3.4Å; F266-Y298 HydrophobicContact CD1-CE1 3.4Å; F266-Y298 VanDerWaalsContact CD1-CE1 3.4Å; F266-Y298 AromaticContact CD1-CZ 3.64Å; F266-Y298 WeakPolarHBondContact CD1-OH 3.38Å; F266-Y298 AromaticContact CE1-CD1 3.99Å; F266-Y298 HydrophobicContact CE1-CD1 3.99Å; F266-Y298 AromaticContact CE1-CE1 3.32Å; F266-Y298 HydrophobicContact CE1-CE1 3.32Å; F266-Y298 AromaticContact CE1-CZ 3.96Å
267	E	88.7	Confident	87.7	Confident	109 Å²	109	49.6 Å²	49.6	51%	0.509	25%	0.248	S	C	.	.	H	α-helix	trans	-65.7	-44.4	177.3	-78.8	177.3	-174.5	0	0	113.1	N263 T264 A269 E270 K271 K277	N263-E267 WeakPolarHBondContact O-CB 3.39Å; N263-E267 WeakPolarHBondContact O-CG 3.18Å; N263-E267 PolarHBondContact O-N 3.38Å; T264-E267 PolarHBondContact O-N 3.42Å; E267-A269 VanDerWaalsContact C-N 3.32Å; E267-A269 PolarHBondContact O-N 3.22Å; E267-E270 PolarHBondContact O-N 3.14Å; E267-K271 VanDerWaalsContact O-CB 3.32Å; E267-K271 WeakPolarHBondContact O-CB 3.06Å; E267-K271 PolarHBondContact O-N 3.28Å; E267-K277 IonicContact OE1-NZ 2.82Å
268	V	89.4	Confident	87.4	Confident	16 Å²	16	46 Å²	46	10%	0.097	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-40.2	178.8	170.6	0	0	0	0	110.7	I240 L247 I248 T264 Y272	I240-V268 HydrophobicContact CG2-CG1 3.92Å; L247-V268 HydrophobicContact CB-CG1 3.78Å; L247-V268 HydrophobicContact CD1-CG1 4.38Å; I248-V268 HydrophobicContact CD1-CB 4.37Å; I248-V268 HydrophobicContact CD1-CG1 4.25Å; I248-V268 HydrophobicContact CD1-CG2 4.45Å; I248-V268 HydrophobicContact CG1-CB 4.32Å; I248-V268 HydrophobicContact CG1-CG1 3.96Å; I248-V268 HydrophobicContact CG1-CG2 4.07Å; T264-V268 WeakPolarHBondContact O-CB 3.49Å; T264-V268 VanDerWaalsContact O-CG2 3.29Å; T264-V268 WeakPolarHBondContact O-CG2 3.35Å; T264-V268 PolarHBondContact O-N 3.34Å; V268-Y272 HydrophobicContact CG1-CD2 4.14Å; V268-Y272 WeakPolarHBondContact O-CB 3.31Å; V268-Y272 PolarHBondContact O-N 2.75Å
269	A	88.7	Confident	87.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-42.7	177.5	0	0	0	0	0	112.5	I240 A265 F266 E267 L273 D274 I275 F302	I240-A269 HydrophobicContact CD1-CB 4.46Å; A265-A269 WeakPolarHBondContact O-CB 3.07Å; A265-A269 PolarHBondContact O-N 2.94Å; F266-A269 PolarHBondContact O-N 3.15Å; E267-A269 VanDerWaalsContact C-N 3.32Å; E267-A269 PolarHBondContact O-N 3.22Å; A269-L273 CarbonylContact O-C 3.55Å; A269-L273 WeakPolarHBondContact O-CA 3.45Å; A269-L273 WeakPolarHBondContact O-CB 3.45Å; A269-L273 PolarHBondContact O-N 2.98Å; A269-L273 VanDerWaalsContact O-N 3.07Å; A269-D274 PolarHBondContact O-N 2.89Å; A269-D274 VanDerWaalsContact O-N 3.15Å; A269-I275 CarbonylContact C-O 3.41Å; A269-I275 HydrophobicContact CB-CB 4.11Å; A269-I275 PolarHBondContact O-N 2.8Å; A269-F302 HydrophobicContact CB-CE1 3.56Å; A269-F302 HydrophobicContact CB-CZ 3.38Å
270	E	86.8	Confident	87	Confident	89 Å²	89	46.1 Å²	46.1	42%	0.416	23%	0.228	S	C	.	.	H	α-helix	trans	-69.4	-47.1	179.1	-176.9	168.1	-125.6	0	0	112	F266 E267 I275 K277	F266-E270 WeakPolarHBondContact O-CB 3.41Å; F266-E270 PolarHBondContact O-N 3.43Å; E267-E270 PolarHBondContact O-N 3.14Å; E270-I275 WeakPolarHBondContact CA-O 3.31Å; E270-I275 PolarHBondContact N-O 3.31Å; E270-I275 VanDerWaalsContact N-O 3.16Å; E270-K277 HydrophobicContact CB-CG 4.18Å; E270-K277 VanDerWaalsContact OE2-CD 3.31Å; E270-K277 WeakPolarHBondContact OE2-CD 3.47Å; E270-K277 WeakPolarHBondContact OE2-CE 3.38Å; E270-K277 WeakPolarHBondContact OE2-CG 3.3Å; E270-K277 IonicContact OE2-NZ 3.45Å
271	K	86.9	Confident	86.9	Confident	154 Å²	154	45.1 Å²	45.1	67%	0.67	22%	0.219	S	C	*	.	H	α-helix	trans	-73.9	-37.6	-173.6	-172	174.7	178.9	-174.2	0	113.5	E267	E267-K271 VanDerWaalsContact O-CB 3.32Å; E267-K271 WeakPolarHBondContact O-CB 3.06Å; E267-K271 PolarHBondContact O-N 3.28Å
272	Y	85.9	Confident	86.5	Confident	125 Å²	125	50.5 Å²	50.5	49%	0.49	24%	0.244	S	C	.	.	H	α-helix	trans	-115.7	-18.5	-169.4	-59.2	-71.9	0	0	0	114.6	L247 V268	L247-Y272 HydrophobicContact CD2-CD1 4.18Å; L247-Y272 HydrophobicContact CD2-CD2 4.13Å; L247-Y272 HydrophobicContact CD2-CG 3.84Å; V268-Y272 HydrophobicContact CG1-CD2 4.14Å; V268-Y272 WeakPolarHBondContact O-CB 3.31Å; V268-Y272 PolarHBondContact O-N 2.75Å
273	L	84.3	Confident	86.1	Confident	28 Å²	28	53.1 Å²	53.1	15%	0.147	26%	0.257	C	S	.	.	H	α-helix	trans	-115.1	-0.3	-179.1	-52.4	175.8	0	0	0	112.8	I240 L247 A269 I275 F302 F306	I240-L273 HydrophobicContact CG1-CD1 4.26Å; I240-L273 HydrophobicContact CG2-CD1 4.33Å; L247-L273 HydrophobicContact CD1-CD2 3.95Å; L247-L273 HydrophobicContact CD1-CG 4.41Å; A269-L273 CarbonylContact O-C 3.55Å; A269-L273 WeakPolarHBondContact O-CA 3.45Å; A269-L273 WeakPolarHBondContact O-CB 3.45Å; A269-L273 PolarHBondContact O-N 2.98Å; A269-L273 VanDerWaalsContact O-N 3.07Å; L273-I275 HydrophobicContact CB-CD1 3.96Å; L273-I275 HydrophobicContact CB-CG1 4.12Å; L273-I275 HydrophobicContact CD1-CD1 4.39Å; L273-I275 PolarHBondContact O-N 3.23Å; L273-F302 HydrophobicContact CD1-CD1 4.2Å; L273-F302 HydrophobicContact CD1-CE1 4.03Å; L273-F306 HydrophobicContact CD1-CE1 4.07Å; L273-F306 HydrophobicContact CD1-CE2 4.42Å; L273-F306 HydrophobicContact CD1-CZ 3.55Å; L273-F306 HydrophobicContact CD2-CE1 3.85Å; L273-F306 HydrophobicContact CD2-CZ 4.2Å
274	D	84.1	Confident	85.8	Confident	97 Å²	97	50.8 Å²	50.8	52%	0.519	25%	0.245	S	C	.	.			trans	53.5	29	-174.3	-169.9	36.2	0	0	0	114	R103 A269	R103-D274 IonicContact CZ-OD1 2.72Å; R103-D274 VanDerWaalsContact CZ-OD1 3.31Å; R103-D274 IonicContact CZ-OD2 2.64Å; R103-D274 IonicContact NH1-OD1 2.86Å; R103-D274 PolarHBondContact NH1-OD1 3.5Å; R103-D274 PolarHBondContact NH2-O 3.2Å; R103-D274 IonicContact NH2-OD1 2.96Å; R103-D274 PolarHBondContact NH2-OD1 3.38Å; R103-D274 IonicContact NH2-OD2 3.56Å; R103-D274 PolarHBondContact NH2-OD2 3.02Å; A269-D274 PolarHBondContact O-N 2.89Å; A269-D274 VanDerWaalsContact O-N 3.15Å
275	I	85.1	Confident	85.5	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.036	24%	0.238	C	C	.	.			trans	-96.2	110.8	175	-59.8	169.2	0	0	0	107.9	A269 E270 L273 M278 Y298 C301 F302 A305	A269-I275 CarbonylContact C-O 3.41Å; A269-I275 HydrophobicContact CB-CB 4.11Å; A269-I275 PolarHBondContact O-N 2.8Å; E270-I275 WeakPolarHBondContact CA-O 3.31Å; E270-I275 PolarHBondContact N-O 3.31Å; E270-I275 VanDerWaalsContact N-O 3.16Å; L273-I275 HydrophobicContact CB-CD1 3.96Å; L273-I275 HydrophobicContact CB-CG1 4.12Å; L273-I275 HydrophobicContact CD1-CD1 4.39Å; L273-I275 PolarHBondContact O-N 3.23Å; I275-M278 HydrophobicContact CG2-CE 4.19Å; I275-Y298 HydrophobicContact CG2-CE2 3.92Å; I275-C301 HydrophobicContact CG2-CB 3.87Å; I275-F302 HydrophobicContact CD1-CB 4.35Å; I275-F302 HydrophobicContact CD1-CD1 3.52Å; I275-F302 HydrophobicContact CD1-CD2 4.26Å; I275-F302 HydrophobicContact CD1-CE1 3.78Å; I275-F302 HydrophobicContact CD1-CE2 4.48Å; I275-F302 HydrophobicContact CD1-CG 3.8Å; I275-F302 HydrophobicContact CD1-CZ 4.28Å; I275-F302 HydrophobicContact CG2-CE2 4.43Å; I275-A305 HydrophobicContact CD1-CB 3.91Å; I275-A305 HydrophobicContact CG1-CB 4.34Å
276	P	81.9	Confident	85.2	Confident	22 Å²	22	55.2 Å²	55.2	14%	0.143	27%	0.268	C	S	.	.			trans	-70	152.7	-173.2	27.5	-32.7	0	0	0	111.9	S100 M278 Y298	S100-P276 VanDerWaalsContact CB-CG 3.44Å; P276-M278 HydrophobicContact CG-CE 4.38Å; P276-M278 HydrophobicContact CG-CG 4.34Å; P276-M278 WeakPolarHBondContact O-CG 3.46Å; P276-M278 PolarHBondContact O-N 3.1Å; P276-Y298 VanDerWaalsContact O-CE2 3.31Å; P276-Y298 WeakPolarHBondContact O-CE2 3.41Å
277	K	85.6	Confident	84.6	Confident	83 Å²	83	57.2 Å²	57.2	36%	0.361	28%	0.28	S	S	.	.			trans	-68.1	104.3	176.5	-58.5	-177.2	176	171	0	110.7	F266 E267 E270	F266-K277 HydrophobicContact CB-CD 4.27Å; F266-K277 HydrophobicContact CB-CG 4.02Å; E267-K277 IonicContact OE1-NZ 2.82Å; E270-K277 HydrophobicContact CB-CG 4.18Å; E270-K277 VanDerWaalsContact OE2-CD 3.31Å; E270-K277 WeakPolarHBondContact OE2-CD 3.47Å; E270-K277 WeakPolarHBondContact OE2-CE 3.38Å; E270-K277 WeakPolarHBondContact OE2-CG 3.3Å; E270-K277 IonicContact OE2-NZ 3.45Å
278	M	82.8	Confident	84.2	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.03	29%	0.291	C	S	.	.			trans	-104.7	-6.1	-178.5	-58.8	178.2	-105.2	0	0	113.9	T93 A96 W97 I275 P276 Y298 C301	T93-M278 WeakPolarHBondContact CA-O 3.34Å; T93-M278 WeakPolarHBondContact CB-O 3.5Å; T93-M278 HydrophobicContact CG2-CB 3.9Å; T93-M278 WeakPolarHBondContact CG2-O 3.45Å; T93-M278 PolarHBondContact OG1-O 2.82Å; A96-M278 HydrophobicContact CB-CB 3.85Å; A96-M278 HydrophobicContact CB-CG 3.65Å; W97-M278 HydrophobicContact CB-SD 3.72Å; W97-M278 HydrophobicContact CG-SD 4.3Å; I275-M278 HydrophobicContact CG2-CE 4.19Å; P276-M278 HydrophobicContact CG-CE 4.38Å; P276-M278 HydrophobicContact CG-CG 4.34Å; P276-M278 WeakPolarHBondContact O-CG 3.46Å; P276-M278 PolarHBondContact O-N 3.1Å; M278-Y298 HydrophobicContact CB-CD2 3.8Å; M278-Y298 HydrophobicContact CB-CE2 4.21Å; M278-Y298 HydrophobicContact CE-CD2 3.44Å; M278-Y298 VanDerWaalsContact CE-CD2 3.44Å; M278-Y298 HydrophobicContact CE-CE2 3.85Å; M278-Y298 HydrophobicContact CG-CD2 4.13Å; M278-Y298 HydrophobicContact CG-CE2 4.38Å; M278-Y298 HydrophobicContact SD-CD2 4.24Å; M278-C301 HydrophobicContact CE-CB 3.98Å; M278-C301 WeakPolarHBondContact CE-SG 3.21Å
279	L	84.9	Confident	83.8	Confident	19 Å²	19	62.7 Å²	62.7	10%	0.099	31%	0.312	C	S	.	.	S	Bend	trans	-126.8	141.5	-176.9	-63.3	174.8	0	0	0	109.4	T93 F266 I284 A294 I295 Y298	T93-L279 HydrophobicContact CG2-CD2 3.77Å; T93-L279 HydrophobicContact CG2-CG 4.49Å; T93-L279 VanDerWaalsContact OG1-CD2 3.28Å; T93-L279 WeakPolarHBondContact OG1-CD2 3.3Å; F266-L279 HydrophobicContact CE1-CB 4.18Å; F266-L279 HydrophobicContact CE1-CD1 4.37Å; F266-L279 HydrophobicContact CE2-CB 4.09Å; F266-L279 VanDerWaalsContact CE2-O 3.29Å; F266-L279 WeakPolarHBondContact CE2-O 3.3Å; F266-L279 HydrophobicContact CZ-CB 3.6Å; F266-L279 HydrophobicContact CZ-CD1 4.3Å; L279-I284 HydrophobicContact CB-CD1 3.82Å; L279-I284 HydrophobicContact CD1-CD1 3.99Å; L279-I284 HydrophobicContact CG-CD1 4.37Å; L279-A294 HydrophobicContact CD2-CB 3.79Å; L279-I295 HydrophobicContact CD1-CG1 4.37Å; L279-Y298 HydrophobicContact CD1-CD1 3.61Å; L279-Y298 HydrophobicContact CD1-CE1 4.47Å; L279-Y298 HydrophobicContact CD1-CG 3.66Å; L279-Y298 HydrophobicContact CG-CD1 4.34Å; L279-Y298 HydrophobicContact CG-CG 4.07Å
280	D	83.1	Confident	83.6	Confident	74 Å²	74	63 Å²	63	40%	0.396	31%	0.314	S	S	.	.			trans	-92.2	130	170.4	-165.2	-42	0	0	0	109.4	E282 D283 I284	D280-E282 VanDerWaalsContact C-N 3.33Å; D280-E282 PolarHBondContact OD1-N 3.19Å; D280-D283 HydrophobicContact CB-CB 4.09Å; D280-D283 PolarHBondContact O-N 2.73Å; D280-I284 WeakPolarHBondContact O-CG1 3.31Å; D280-I284 PolarHBondContact O-N 2.96Å
281	A	84.6	Confident	83.4	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-65.4	-36.7	179.9	0	0	0	0	0	111.9	I259 L262 N263 F266 I284 V285	I259-A281 HydrophobicContact CG2-CB 4.25Å; L262-A281 HydrophobicContact CB-CB 3.76Å; L262-A281 HydrophobicContact CD1-CB 4.26Å; N263-A281 WeakPolarHBondContact OD1-CB 3.35Å; F266-A281 HydrophobicContact CE2-CB 4.2Å; A281-I284 PolarHBondContact O-N 3.11Å; A281-V285 WeakPolarHBondContact O-CG2 3.2Å; A281-V285 PolarHBondContact O-N 2.75Å
282	E	82.3	Confident	83.4	Confident	116 Å²	116	56.2 Å²	56.2	54%	0.542	29%	0.287	S	S	.	.	H	α-helix	trans	-67.1	-41.2	179.9	-63.9	-171.6	-179.8	0	0	110.9	D280 I284 V285 N286	D280-E282 VanDerWaalsContact C-N 3.33Å; D280-E282 PolarHBondContact OD1-N 3.19Å; E282-I284 PolarHBondContact O-N 2.97Å; E282-V285 PolarHBondContact O-N 3.43Å; E282-N286 VanDerWaalsContact O-CB 3.26Å; E282-N286 WeakPolarHBondContact O-CB 3.01Å; E282-N286 VanDerWaalsContact O-CG 3.27Å; E282-N286 PolarHBondContact O-N 3.02Å; E282-N286 PolarHBondContact O-ND2 3.13Å; E282-N286 VanDerWaalsContact O-ND2 3.11Å
283	D	81.9	Confident	83.4	Confident	55 Å²	55	54 Å²	54	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-37.4	179.5	-77.4	-17.4	0	0	0	112.8	T89 Q92 D280 T287	T89-D283 HydrophobicContact CG2-CB 3.65Å; Q92-D283 PolarHBondContact OE1-OD2 3.34Å; D280-D283 HydrophobicContact CB-CB 4.09Å; D280-D283 PolarHBondContact O-N 2.73Å; D283-T287 WeakPolarHBondContact O-CB 3.49Å; D283-T287 PolarHBondContact O-N 3.32Å; D283-T287 PolarHBondContact O-OG1 3.19Å
284	I	83.1	Confident	83.4	Confident	11 Å²	11	52.9 Å²	52.9	6%	0.056	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-41.9	176.1	-68.5	166.8	0	0	0	110.9	K231 L262 F266 L279 D280 A281 E282 P290	K231-I284 HydrophobicContact CG-CG2 4.39Å; L262-I284 HydrophobicContact CD1-CB 4.01Å; L262-I284 HydrophobicContact CD1-CD1 4.25Å; L262-I284 HydrophobicContact CD1-CG2 3.83Å; L262-I284 HydrophobicContact CD2-CD1 4.3Å; F266-I284 HydrophobicContact CZ-CD1 3.91Å; L279-I284 HydrophobicContact CB-CD1 3.82Å; L279-I284 HydrophobicContact CD1-CD1 3.99Å; L279-I284 HydrophobicContact CG-CD1 4.37Å; D280-I284 WeakPolarHBondContact O-CG1 3.31Å; D280-I284 PolarHBondContact O-N 2.96Å; A281-I284 PolarHBondContact O-N 3.11Å; E282-I284 PolarHBondContact O-N 2.97Å; I284-P290 HydrophobicContact CG2-CB 4.42Å; I284-P290 HydrophobicContact CG2-CG 3.97Å
285	V	84.9	Confident	83.5	Confident	28 Å²	28	48.5 Å²	48.5	17%	0.17	25%	0.251	C	S	.	.	H	α-helix	trans	-77.6	-42.7	-174.4	176.8	0	0	0	0	111.6	K231 P258 I259 L262 A281 E282 T287	K231-V285 WeakPolarHBondContact CE-O 3.42Å; K231-V285 PolarHBondContact NZ-O 2.62Å; P258-V285 HydrophobicContact CB-CG2 3.8Å; P258-V285 HydrophobicContact CG-CG1 3.91Å; P258-V285 HydrophobicContact CG-CG2 4.01Å; I259-V285 HydrophobicContact CG1-CB 4.24Å; I259-V285 HydrophobicContact CG1-CG1 4.37Å; I259-V285 HydrophobicContact CG1-CG2 3.92Å; L262-V285 HydrophobicContact CD1-CG2 3.89Å; A281-V285 WeakPolarHBondContact O-CG2 3.2Å; A281-V285 PolarHBondContact O-N 2.75Å; E282-V285 PolarHBondContact O-N 3.43Å; V285-T287 VanDerWaalsContact C-N 3.35Å; V285-T287 PolarHBondContact O-N 3.28Å
286	N	82.7	Confident	83.6	Confident	118 Å²	118	48.4 Å²	48.4	63%	0.631	25%	0.25	S	S	*	.	H	α-helix	trans	-75.2	-24	-177.2	-66.9	-33	0	0	0	112.9	E282	E282-N286 VanDerWaalsContact O-CB 3.26Å; E282-N286 WeakPolarHBondContact O-CB 3.01Å; E282-N286 VanDerWaalsContact O-CG 3.27Å; E282-N286 PolarHBondContact O-N 3.02Å; E282-N286 PolarHBondContact O-ND2 3.13Å; E282-N286 VanDerWaalsContact O-ND2 3.11Å
287	T	79.7	Confident	83.8	Confident	44 Å²	44	47.3 Å²	47.3	27%	0.27	24%	0.243	S	C	.	.	S	Bend	trans	-80	127.5	176.8	-53.9	0	0	0	0	110.7	K231 D283 V285 K289	K231-T287 PolarHBondContact NZ-O 3.12Å; D283-T287 WeakPolarHBondContact O-CB 3.49Å; D283-T287 PolarHBondContact O-N 3.32Å; D283-T287 PolarHBondContact O-OG1 3.19Å; V285-T287 VanDerWaalsContact C-N 3.35Å; V285-T287 PolarHBondContact O-N 3.28Å; T287-K289 VanDerWaalsContact CG2-O 3.29Å; T287-K289 WeakPolarHBondContact CG2-O 3.4Å; T287-K289 PolarHBondContact O-N 3.46Å
288	P	79	Confident	83.9	Confident	113 Å²	113	43.4 Å²	43.4	73%	0.734	23%	0.226	S	C	*	.	S	Bend	trans	-61.5	-32.3	-179.3	19.9	-29.8	0	0	0	112.7
289	K	81.9	Confident	84.2	Confident	126 Å²	126	43.1 Å²	43.1	55%	0.548	23%	0.225	S	C	.	.	S	Bend	trans	-133.5	104	172.4	-174.1	177.8	-179.8	178.3	0	110	H227 T287	H227-K289 HydrophobicContact CB-CG 4.15Å; H227-K289 VanDerWaalsContact CD2-CE 3.49Å; H227-K289 WeakPolarHBondContact CD2-CE 3.3Å; T287-K289 VanDerWaalsContact CG2-O 3.29Å; T287-K289 WeakPolarHBondContact CG2-O 3.4Å; T287-K289 PolarHBondContact O-N 3.46Å
290	P	84.1	Confident	84.3	Confident	7 Å²	7	42.2 Å²	42.2	5%	0.045	22%	0.22	C	C	.	.			trans	-57	150.2	174.6	-26.4	36	0	0	0	112	H227 K231 I284 E292 I295	H227-P290 WeakPolarHBondContact CB-O 3.48Å; K231-P290 HydrophobicContact CD-CG 4.49Å; I284-P290 HydrophobicContact CG2-CB 4.42Å; I284-P290 HydrophobicContact CG2-CG 3.97Å; P290-E292 PolarHBondContact O-N 3.38Å; P290-I295 HydrophobicContact CB-CD1 3.56Å; P290-I295 HydrophobicContact CG-CD1 4.46Å
291	D	83.6	Confident	84.4	Confident	43 Å²	43	39.8 Å²	39.8	23%	0.23	21%	0.209	C	C	.	.			trans	-68.3	122.9	178.8	-176.6	11.1	0	0	0	110.9	P90 K293 A294 I295	P90-D291 VanDerWaalsContact CB-OD2 3.25Å; P90-D291 WeakPolarHBondContact CB-OD2 3.43Å; P90-D291 WeakPolarHBondContact CD-OD2 3.47Å; P90-D291 VanDerWaalsContact CG-OD2 3.23Å; P90-D291 WeakPolarHBondContact CG-OD2 3.44Å; D291-K293 VanDerWaalsContact C-N 3.25Å; D291-K293 PolarHBondContact O-N 3.26Å; D291-K293 PolarHBondContact OD1-N 3.31Å; D291-K293 VanDerWaalsContact OD1-N 3.12Å; D291-A294 HydrophobicContact CB-CB 4.13Å; D291-A294 PolarHBondContact O-N 3.39Å; D291-I295 PolarHBondContact O-N 3.39Å
292	E	85.6	Confident	84.6	Confident	58 Å²	58	39.8 Å²	39.8	27%	0.271	21%	0.209	S	C	.	.	H	α-helix	trans	-60.1	-37.8	-179.1	-164.3	-178.6	-169.7	0	0	112	K204 F226 P290 M296	K204-E292 WeakPolarHBondContact CE-OE1 3.07Å; K204-E292 VanDerWaalsContact NZ-CD 3.29Å; K204-E292 IonicContact NZ-OE1 3.84Å; K204-E292 PolarHBondContact NZ-OE1 2.99Å; K204-E292 IonicContact NZ-OE2 2.74Å; K204-E292 PolarHBondContact NZ-OE2 3.06Å; F226-E292 HydrophobicContact CB-CG 3.61Å; F226-E292 WeakPolarHBondContact O-CA 3.46Å; P290-E292 PolarHBondContact O-N 3.38Å; E292-M296 HydrophobicContact CG-SD 4.26Å; E292-M296 WeakPolarHBondContact O-CB 3.45Å; E292-M296 VanDerWaalsContact O-CG 3.26Å; E292-M296 WeakPolarHBondContact O-CG 3.31Å; E292-M296 PolarHBondContact O-N 3.28Å
293	K	85.6	Confident	84.8	Confident	78 Å²	78	36.2 Å²	36.2	34%	0.339	19%	0.19	S	C	.	.	H	α-helix	trans	-69.5	-39.8	-177.3	-65.7	-175.9	172.4	-172	0	112	F94 W185 D291 T297	F94-K293 HydrophobicContact CE1-CB 4.31Å; F94-K293 HydrophobicContact CZ-CB 3.96Å; F94-K293 HydrophobicContact CZ-CD 4.39Å; W185-K293 HydrophobicContact CB-CD 4.41Å; W185-K293 VanDerWaalsContact CD1-NZ 3.29Å; W185-K293 HydrophobicContact CD2-CB 4.01Å; W185-K293 HydrophobicContact CD2-CD 3.49Å; W185-K293 VanDerWaalsContact CD2-CD 3.49Å; W185-K293 HydrophobicContact CD2-CG 3.73Å; W185-K293 HydrophobicContact CE3-CB 3.56Å; W185-K293 HydrophobicContact CE3-CD 3.95Å; W185-K293 HydrophobicContact CE3-CG 3.82Å; W185-K293 HydrophobicContact CG-CD 3.69Å; W185-K293 HydrophobicContact CG-CG 4.45Å; W185-K293 HydrophobicContact CH2-CB 3.85Å; W185-K293 HydrophobicContact CH2-CG 3.77Å; W185-K293 HydrophobicContact CZ2-CB 4.29Å; W185-K293 HydrophobicContact CZ2-CD 4.24Å; W185-K293 HydrophobicContact CZ2-CG 3.71Å; W185-K293 HydrophobicContact CZ3-CB 3.48Å; W185-K293 VanDerWaalsContact CZ3-CB 3.48Å; W185-K293 HydrophobicContact CZ3-CD 4.47Å; W185-K293 HydrophobicContact CZ3-CG 3.84Å; W185-K293 WeakPolarHBondContact CZ3-O 3.48Å; D291-K293 VanDerWaalsContact C-N 3.25Å; D291-K293 PolarHBondContact O-N 3.26Å; D291-K293 PolarHBondContact OD1-N 3.31Å; D291-K293 VanDerWaalsContact OD1-N 3.12Å; K293-T297 WeakPolarHBondContact O-CB 3.45Å; K293-T297 PolarHBondContact O-N 3.03Å; K293-T297 VanDerWaalsContact O-N 3.09Å; K293-T297 PolarHBondContact O-OG1 3.16Å
294	A	84.5	Confident	84.8	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.033	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-47.4	179.1	0	0	0	0	0	111.1	T93 L279 D291 T297 Y298	T93-A294 HydrophobicContact CG2-CB 4Å; L279-A294 HydrophobicContact CD2-CB 3.79Å; D291-A294 HydrophobicContact CB-CB 4.13Å; D291-A294 PolarHBondContact O-N 3.39Å; A294-T297 WeakPolarHBondContact O-CB 3.17Å; A294-T297 PolarHBondContact O-N 3.38Å; A294-Y298 PolarHBondContact O-N 3.25Å; A294-Y298 VanDerWaalsContact O-N 3.14Å
295	I	87.1	Confident	84.7	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-66.6	-43.6	178.8	-67.9	165.4	0	0	0	111.5	F226 W230 L279 P290 D291 T297 Y298 V299	F226-I295 HydrophobicContact CB-CG2 4.32Å; F226-I295 HydrophobicContact CD1-CG2 4.26Å; F226-I295 VanDerWaalsContact O-CB 3.23Å; F226-I295 WeakPolarHBondContact O-CB 3.31Å; F226-I295 WeakPolarHBondContact O-CD1 3.33Å; F226-I295 WeakPolarHBondContact O-CG2 3.37Å; W230-I295 HydrophobicContact CB-CD1 4.21Å; W230-I295 HydrophobicContact CB-CG2 4.16Å; W230-I295 HydrophobicContact CD2-CG2 4.04Å; W230-I295 HydrophobicContact CG-CG2 3.68Å; L279-I295 HydrophobicContact CD1-CG1 4.37Å; P290-I295 HydrophobicContact CB-CD1 3.56Å; P290-I295 HydrophobicContact CG-CD1 4.46Å; D291-I295 PolarHBondContact O-N 3.39Å; I295-T297 VanDerWaalsContact C-N 3.29Å; I295-T297 PolarHBondContact O-N 3.21Å; I295-Y298 PolarHBondContact O-N 3.21Å; I295-V299 HydrophobicContact CG2-CG2 3.99Å; I295-V299 WeakPolarHBondContact O-CB 3.47Å; I295-V299 VanDerWaalsContact O-CG2 3.28Å; I295-V299 WeakPolarHBondContact O-CG2 3.31Å; I295-V299 PolarHBondContact O-N 3.45Å
296	M	86.4	Confident	84.6	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-56.8	-43.9	176.3	-78.7	180	63	0	0	112.3	W185 I193 K204 F226 E292 Y298 V299 S300	W185-M296 HydrophobicContact CH2-CB 4.15Å; W185-M296 HydrophobicContact CH2-CE 4.06Å; W185-M296 HydrophobicContact CH2-SD 4.03Å; I193-M296 HydrophobicContact CD1-CB 4.08Å; I193-M296 HydrophobicContact CD1-CE 4.1Å; I193-M296 HydrophobicContact CG2-CE 4.19Å; K204-M296 HydrophobicContact CB-CE 3.93Å; K204-M296 HydrophobicContact CD-CE 3.97Å; K204-M296 HydrophobicContact CD-SD 4.02Å; K204-M296 HydrophobicContact CG-CE 3.61Å; K204-M296 HydrophobicContact CG-SD 4.06Å; F226-M296 HydrophobicContact CB-CG 3.55Å; F226-M296 HydrophobicContact CB-SD 4.4Å; F226-M296 HydrophobicContact CD1-CG 3.72Å; F226-M296 HydrophobicContact CD2-CG 3.41Å; F226-M296 VanDerWaalsContact CD2-CG 3.41Å; F226-M296 HydrophobicContact CD2-SD 3.81Å; F226-M296 HydrophobicContact CE1-CG 4.21Å; F226-M296 HydrophobicContact CE2-CG 3.92Å; F226-M296 HydrophobicContact CE2-SD 4.31Å; F226-M296 HydrophobicContact CG-CB 4.5Å; F226-M296 HydrophobicContact CG-CG 3.28Å; F226-M296 HydrophobicContact CG-SD 4.24Å; F226-M296 HydrophobicContact CZ-CG 4.29Å; E292-M296 HydrophobicContact CG-SD 4.26Å; E292-M296 WeakPolarHBondContact O-CB 3.45Å; E292-M296 VanDerWaalsContact O-CG 3.26Å; E292-M296 WeakPolarHBondContact O-CG 3.31Å; E292-M296 PolarHBondContact O-N 3.28Å; M296-Y298 VanDerWaalsContact C-N 3.33Å; M296-Y298 PolarHBondContact O-N 3.31Å; M296-V299 PolarHBondContact O-N 2.99Å; M296-S300 WeakPolarHBondContact O-CB 3.41Å; M296-S300 PolarHBondContact O-N 3.32Å; M296-S300 PolarHBondContact O-OG 3.45Å
297	T	85.7	Confident	84.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-48.3	177.8	-54.8	0	0	0	0	110.4	W97 I188 K293 A294 I295 S300 C301	W97-T297 HydrophobicContact CB-CG2 3.91Å; W97-T297 VanDerWaalsContact CD1-CG2 3.4Å; W97-T297 HydrophobicContact CD2-CG2 4.47Å; W97-T297 HydrophobicContact CG-CG2 3.65Å; I188-T297 HydrophobicContact CD1-CG2 3.98Å; I188-T297 HydrophobicContact CG1-CG2 4.47Å; I188-T297 HydrophobicContact CG2-CG2 3.79Å; K293-T297 WeakPolarHBondContact O-CB 3.45Å; K293-T297 PolarHBondContact O-N 3.03Å; K293-T297 VanDerWaalsContact O-N 3.09Å; K293-T297 PolarHBondContact O-OG1 3.16Å; A294-T297 WeakPolarHBondContact O-CB 3.17Å; A294-T297 PolarHBondContact O-N 3.38Å; I295-T297 VanDerWaalsContact C-N 3.29Å; I295-T297 PolarHBondContact O-N 3.21Å; T297-S300 PolarHBondContact O-N 2.99Å; T297-S300 PolarHBondContact O-OG 2.86Å; T297-C301 PolarHBondContact O-N 3.4Å; T297-C301 PolarHBondContact O-SG 3.41Å; T297-C301 VanDerWaalsContact O-SG 3.36Å
298	Y	88.8	Confident	83.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-46.7	-178.7	-164.5	-119.3	0	0	0	112.6	L236 F266 I275 P276 M278 L279 A294 I295 M296 S300 C301 F302	L236-Y298 HydrophobicContact CD1-CD1 4.3Å; L236-Y298 HydrophobicContact CD1-CE1 4.2Å; L236-Y298 HydrophobicContact CD2-CD1 4.24Å; L236-Y298 HydrophobicContact CD2-CE1 4.44Å; F266-Y298 HydrophobicContact CD1-CD1 4.47Å; F266-Y298 AromaticContact CD1-CE1 3.4Å; F266-Y298 HydrophobicContact CD1-CE1 3.4Å; F266-Y298 VanDerWaalsContact CD1-CE1 3.4Å; F266-Y298 AromaticContact CD1-CZ 3.64Å; F266-Y298 WeakPolarHBondContact CD1-OH 3.38Å; F266-Y298 AromaticContact CE1-CD1 3.99Å; F266-Y298 HydrophobicContact CE1-CD1 3.99Å; F266-Y298 AromaticContact CE1-CE1 3.32Å; F266-Y298 HydrophobicContact CE1-CE1 3.32Å; F266-Y298 AromaticContact CE1-CZ 3.96Å; I275-Y298 HydrophobicContact CG2-CE2 3.92Å; P276-Y298 VanDerWaalsContact O-CE2 3.31Å; P276-Y298 WeakPolarHBondContact O-CE2 3.41Å; M278-Y298 HydrophobicContact CB-CD2 3.8Å; M278-Y298 HydrophobicContact CB-CE2 4.21Å; M278-Y298 HydrophobicContact CE-CD2 3.44Å; M278-Y298 VanDerWaalsContact CE-CD2 3.44Å; M278-Y298 HydrophobicContact CE-CE2 3.85Å; M278-Y298 HydrophobicContact CG-CD2 4.13Å; M278-Y298 HydrophobicContact CG-CE2 4.38Å; M278-Y298 HydrophobicContact SD-CD2 4.24Å; L279-Y298 HydrophobicContact CD1-CD1 3.61Å; L279-Y298 HydrophobicContact CD1-CE1 4.47Å; L279-Y298 HydrophobicContact CD1-CG 3.66Å; L279-Y298 HydrophobicContact CG-CD1 4.34Å; L279-Y298 HydrophobicContact CG-CG 4.07Å; A294-Y298 PolarHBondContact O-N 3.25Å; A294-Y298 VanDerWaalsContact O-N 3.14Å; I295-Y298 PolarHBondContact O-N 3.21Å; M296-Y298 VanDerWaalsContact C-N 3.33Å; M296-Y298 PolarHBondContact O-N 3.31Å; Y298-S300 VanDerWaalsContact C-N 3.31Å; Y298-S300 PolarHBondContact O-N 3.29Å; Y298-C301 WeakPolarHBondContact O-CB 3.47Å; Y298-C301 PolarHBondContact O-N 3.2Å; Y298-C301 VanDerWaalsContact O-N 3.12Å; Y298-F302 AromaticContact CD1-CE2 3.82Å; Y298-F302 HydrophobicContact CD1-CE2 3.82Å; Y298-F302 AromaticContact CE1-CE2 3.42Å; Y298-F302 HydrophobicContact CE1-CE2 3.42Å; Y298-F302 VanDerWaalsContact CE1-CE2 3.42Å; Y298-F302 AromaticContact CE1-CZ 4Å; Y298-F302 HydrophobicContact CE1-CZ 4Å; Y298-F302 HydrophobicContact CE2-CE2 4.46Å; Y298-F302 HydrophobicContact CG-CE2 4.5Å; Y298-F302 AromaticContact CZ-CE2 3.78Å; Y298-F302 WeakPolarHBondContact O-CD2 3.41Å
299	V	88.9	Confident	82.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-34.5	179.7	174.8	0	0	0	0	112.1	L207 C211 F226 W230 L236 L239 I295 M296 C301 F302 Y303	L207-V299 HydrophobicContact CD1-CG1 4.32Å; L207-V299 HydrophobicContact CG-CG1 4.48Å; C211-V299 WeakPolarHBondContact SG-CG1 3.28Å; F226-V299 HydrophobicContact CE1-CB 4.43Å; F226-V299 HydrophobicContact CE1-CG1 4.19Å; W230-V299 HydrophobicContact CD2-CG2 4.35Å; W230-V299 HydrophobicContact CE3-CG2 4.17Å; W230-V299 HydrophobicContact CH2-CG1 3.96Å; W230-V299 HydrophobicContact CH2-CG2 3.75Å; W230-V299 HydrophobicContact CZ2-CG1 4.24Å; W230-V299 HydrophobicContact CZ2-CG2 3.95Å; W230-V299 HydrophobicContact CZ3-CG2 3.88Å; L236-V299 HydrophobicContact CD2-CG2 4.02Å; L239-V299 HydrophobicContact CD1-CG1 4.32Å; I295-V299 HydrophobicContact CG2-CG2 3.99Å; I295-V299 WeakPolarHBondContact O-CB 3.47Å; I295-V299 VanDerWaalsContact O-CG2 3.28Å; I295-V299 WeakPolarHBondContact O-CG2 3.31Å; I295-V299 PolarHBondContact O-N 3.45Å; M296-V299 PolarHBondContact O-N 2.99Å; V299-C301 PolarHBondContact O-N 3.48Å; V299-F302 WeakPolarHBondContact O-CB 3.42Å; V299-F302 PolarHBondContact O-N 3.47Å; V299-F302 VanDerWaalsContact O-N 3.15Å; V299-Y303 PolarHBondContact O-N 2.9Å
300	S	86.9	Confident	81.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-29.7	175.1	75.5	0	0	0	0	113.2	M296 T297 Y298 F302 Y303 H304	M296-S300 WeakPolarHBondContact O-CB 3.41Å; M296-S300 PolarHBondContact O-N 3.32Å; M296-S300 PolarHBondContact O-OG 3.45Å; T297-S300 PolarHBondContact O-N 2.99Å; T297-S300 PolarHBondContact O-OG 2.86Å; Y298-S300 VanDerWaalsContact C-N 3.31Å; Y298-S300 PolarHBondContact O-N 3.29Å; S300-F302 VanDerWaalsContact C-N 3.35Å; S300-Y303 WeakPolarHBondContact O-CB 3.46Å; S300-Y303 PolarHBondContact O-N 3.49Å; S300-H304 PolarHBondContact O-CD2 3.43Å; S300-H304 PolarHBondContact O-N 2.93Å
301	C	86	Confident	80.5	Confident	24 Å²	24	38.8 Å²	38.8	16%	0.162	22%	0.219	C	C	.	.	H	α-helix	trans	-68	-36.4	176.1	-62.2	0	0	0	0	111.6	I275 M278 T297 Y298 V299 A305	I275-C301 HydrophobicContact CG2-CB 3.87Å; M278-C301 HydrophobicContact CE-CB 3.98Å; M278-C301 WeakPolarHBondContact CE-SG 3.21Å; T297-C301 PolarHBondContact O-N 3.4Å; T297-C301 PolarHBondContact O-SG 3.41Å; T297-C301 VanDerWaalsContact O-SG 3.36Å; Y298-C301 WeakPolarHBondContact O-CB 3.47Å; Y298-C301 PolarHBondContact O-N 3.2Å; Y298-C301 VanDerWaalsContact O-N 3.12Å; V299-C301 PolarHBondContact O-N 3.48Å; C301-A305 WeakPolarHBondContact O-CB 3.37Å; C301-A305 PolarHBondContact O-N 3.13Å; C301-A305 VanDerWaalsContact O-N 3.12Å
302	F	87.1	Confident	79.1	Confident	1 Å²	1	40 Å²	40	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-39.4	172	-72.8	-85.8	0	0	0	112.4	W210 L236 I240 A269 L273 I275 Y298 V299 S300 A305 F306	W210-F302 HydrophobicContact CH2-CB 4.41Å; L236-F302 HydrophobicContact CD2-CE2 4.17Å; I240-F302 HydrophobicContact CD1-CE1 3.59Å; I240-F302 HydrophobicContact CD1-CZ 4.05Å; I240-F302 HydrophobicContact CG1-CD1 4Å; I240-F302 HydrophobicContact CG1-CE1 3.48Å; I240-F302 VanDerWaalsContact CG1-CE1 3.48Å; I240-F302 HydrophobicContact CG1-CZ 4.35Å; A269-F302 HydrophobicContact CB-CE1 3.56Å; A269-F302 HydrophobicContact CB-CZ 3.38Å; L273-F302 HydrophobicContact CD1-CD1 4.2Å; L273-F302 HydrophobicContact CD1-CE1 4.03Å; I275-F302 HydrophobicContact CD1-CB 4.35Å; I275-F302 HydrophobicContact CD1-CD1 3.52Å; I275-F302 HydrophobicContact CD1-CD2 4.26Å; I275-F302 HydrophobicContact CD1-CE1 3.78Å; I275-F302 HydrophobicContact CD1-CE2 4.48Å; I275-F302 HydrophobicContact CD1-CG 3.8Å; I275-F302 HydrophobicContact CD1-CZ 4.28Å; I275-F302 HydrophobicContact CG2-CE2 4.43Å; Y298-F302 AromaticContact CD1-CE2 3.82Å; Y298-F302 HydrophobicContact CD1-CE2 3.82Å; Y298-F302 AromaticContact CE1-CE2 3.42Å; Y298-F302 HydrophobicContact CE1-CE2 3.42Å; Y298-F302 VanDerWaalsContact CE1-CE2 3.42Å; Y298-F302 AromaticContact CE1-CZ 4Å; Y298-F302 HydrophobicContact CE1-CZ 4Å; Y298-F302 HydrophobicContact CE2-CE2 4.46Å; Y298-F302 HydrophobicContact CG-CE2 4.5Å; Y298-F302 AromaticContact CZ-CE2 3.78Å; Y298-F302 WeakPolarHBondContact O-CD2 3.41Å; V299-F302 WeakPolarHBondContact O-CB 3.42Å; V299-F302 PolarHBondContact O-N 3.47Å; V299-F302 VanDerWaalsContact O-N 3.15Å; S300-F302 VanDerWaalsContact C-N 3.35Å; F302-A305 PolarHBondContact O-N 2.94Å; F302-F306 HydrophobicContact CB-CD2 4.46Å; F302-F306 HydrophobicContact CB-CE2 4.31Å; F302-F306 HydrophobicContact CD1-CE2 4.01Å; F302-F306 WeakPolarHBondContact O-CD2 3.39Å; F302-F306 PolarHBondContact O-N 3.02Å
303	Y	86.4	Confident	77.9	Confident	41 Å²	41	43.6 Å²	43.6	16%	0.161	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-50.6	177.1	178	-90.4	0	0	0	111.6	I196 V198 L207 W210 V299 S300 A305 F306 A307	I196-Y303 HydrophobicContact CB-CE1 4.27Å; I196-Y303 HydrophobicContact CD1-CD1 3.6Å; I196-Y303 HydrophobicContact CD1-CE1 4.09Å; I196-Y303 HydrophobicContact CD1-CG 3.94Å; I196-Y303 HydrophobicContact CG1-CD1 3.77Å; I196-Y303 HydrophobicContact CG1-CE1 3.74Å; I196-Y303 HydrophobicContact CG1-CG 4.48Å; I196-Y303 HydrophobicContact CG2-CD1 4.26Å; I196-Y303 HydrophobicContact CG2-CD2 4.24Å; I196-Y303 HydrophobicContact CG2-CE1 3.86Å; I196-Y303 HydrophobicContact CG2-CE2 3.84Å; I196-Y303 HydrophobicContact CG2-CG 4.44Å; V198-Y303 HydrophobicContact CG2-CE2 4.46Å; L207-Y303 HydrophobicContact CD1-CD2 4.29Å; L207-Y303 HydrophobicContact CD1-CG 4.25Å; W210-Y303 HydrophobicContact CB-CD2 4.38Å; W210-Y303 HydrophobicContact CB-CE2 4.38Å; W210-Y303 AromaticContact CD1-CD2 3.79Å; W210-Y303 AromaticContact CD1-CE2 3.66Å; W210-Y303 AromaticContact CD2-CD2 3.53Å; W210-Y303 HydrophobicContact CD2-CD2 3.53Å; W210-Y303 HydrophobicContact CD2-CE2 4.18Å; W210-Y303 AromaticContact CE2-CD2 3.61Å; W210-Y303 AromaticContact CE3-CD2 3.98Å; W210-Y303 HydrophobicContact CE3-CD2 3.98Å; W210-Y303 AromaticContact CG-CD2 3.68Å; W210-Y303 HydrophobicContact CG-CD2 3.68Å; W210-Y303 AromaticContact CG-CE2 3.84Å; W210-Y303 HydrophobicContact CG-CE2 3.84Å; W210-Y303 HydrophobicContact CZ2-CD2 4.17Å; W210-Y303 HydrophobicContact CZ3-CD2 4.48Å; W210-Y303 AromaticContact NE1-CD2 3.73Å; W210-Y303 AromaticContact NE1-CE2 3.87Å; V299-Y303 PolarHBondContact O-N 2.9Å; S300-Y303 WeakPolarHBondContact O-CB 3.46Å; S300-Y303 PolarHBondContact O-N 3.49Å; Y303-A305 PolarHBondContact O-N 3.3Å; Y303-F306 PolarHBondContact O-N 3.2Å; Y303-A307 HydrophobicContact CE1-CB 4.38Å; Y303-A307 WeakPolarHBondContact O-CB 3.43Å; Y303-A307 PolarHBondContact O-N 3.13Å
304	H	83.2	Confident	76.9	Confident	87 Å²	87	43.5 Å²	43.5	40%	0.403	26%	0.258	S	S	.	.	H	α-helix	trans	-66.3	-39.1	-178.6	-72.1	-57	0	0	0	113.2	A192 S300 F306 A307 G308	A192-H304 PolarHBondContact O-NE2 3.36Å; S300-H304 PolarHBondContact O-CD2 3.43Å; S300-H304 PolarHBondContact O-N 2.93Å; H304-F306 VanDerWaalsContact C-N 3.29Å; H304-F306 PolarHBondContact O-N 2.84Å; H304-A307 PolarHBondContact O-N 3.49Å; H304-G308 PolarHBondContact O-N 2.56Å
305	A	81.1	Confident	75.6	Confident	44 Å²	44	45.7 Å²	45.7	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-38.4	177.1	0	0	0	0	0	112.1	I275 C301 F302 Y303	I275-A305 HydrophobicContact CD1-CB 3.91Å; I275-A305 HydrophobicContact CG1-CB 4.34Å; C301-A305 WeakPolarHBondContact O-CB 3.37Å; C301-A305 PolarHBondContact O-N 3.13Å; C301-A305 VanDerWaalsContact O-N 3.12Å; F302-A305 PolarHBondContact O-N 2.94Å; Y303-A305 PolarHBondContact O-N 3.3Å
306	F	81.4	Confident	74.4	Confident	17 Å²	17	47.9 Å²	47.9	8%	0.075	30%	0.295	C	S	.	.	H	α-helix	trans	-86.5	-26.6	-179.4	-64.4	-49.3	0	0	0	114.2	W210 H243 R244 L273 F302 Y303 H304	W210-F306 HydrophobicContact CH2-CD2 4.4Å; W210-F306 HydrophobicContact CZ2-CD2 4.42Å; H243-F306 HydrophobicContact CB-CD1 3.6Å; H243-F306 HydrophobicContact CB-CD2 4.03Å; H243-F306 HydrophobicContact CB-CE1 3.61Å; H243-F306 HydrophobicContact CB-CE2 4.03Å; H243-F306 HydrophobicContact CB-CG 3.83Å; H243-F306 HydrophobicContact CB-CZ 3.82Å; H243-F306 AromaticContact CD2-CD2 3.77Å; H243-F306 AromaticContact CG-CD1 3.94Å; H243-F306 AromaticContact CG-CD2 3.77Å; H243-F306 AromaticContact CG-CG 3.65Å; H243-F306 AromaticContact ND1-CG 3.8Å; R244-F306 HydrophobicContact CG-CE1 4Å; L273-F306 HydrophobicContact CD1-CE1 4.07Å; L273-F306 HydrophobicContact CD1-CE2 4.42Å; L273-F306 HydrophobicContact CD1-CZ 3.55Å; L273-F306 HydrophobicContact CD2-CE1 3.85Å; L273-F306 HydrophobicContact CD2-CZ 4.2Å; F302-F306 HydrophobicContact CB-CD2 4.46Å; F302-F306 HydrophobicContact CB-CE2 4.31Å; F302-F306 HydrophobicContact CD1-CE2 4.01Å; F302-F306 WeakPolarHBondContact O-CD2 3.39Å; F302-F306 PolarHBondContact O-N 3.02Å; Y303-F306 PolarHBondContact O-N 3.2Å; H304-F306 VanDerWaalsContact C-N 3.29Å; H304-F306 PolarHBondContact O-N 2.84Å
307	A	73.1	Confident	73.6	Confident	29 Å²	29	52 Å²	52	24%	0.24	32%	0.317	C	S	.	.	H	α-helix	trans	-70.5	-30.4	177.5	0	0	0	0	0	113.6	Y303 H304 A309	Y303-A307 HydrophobicContact CE1-CB 4.38Å; Y303-A307 WeakPolarHBondContact O-CB 3.43Å; Y303-A307 PolarHBondContact O-N 3.13Å; H304-A307 PolarHBondContact O-N 3.49Å; A307-A309 VanDerWaalsContact C-N 3.32Å; A307-A309 PolarHBondContact O-N 3.48Å
308	G	63.7	Low	72.9	Confident	43 Å²	43	60.7 Å²	60.7	44%	0.443	35%	0.35	S	S	.	.	H	α-helix	trans	-67	-26.6	-179.7	0	0	0	0	0	114.9	H304	H304-G308 PolarHBondContact O-N 2.56Å
309	A	60.3	Low	72	Confident	71 Å²	71	65.9 Å²	65.9	59%	0.587	38%	0.376	S	S	*	.	H	α-helix	trans	-75.5	-36.7	-177.6	0	0	0	0	0	113.4	A307 Q311 A312	A307-A309 VanDerWaalsContact C-N 3.32Å; A307-A309 PolarHBondContact O-N 3.48Å; A309-Q311 VanDerWaalsContact C-N 3.28Å; A309-Q311 PolarHBondContact O-N 2.81Å; A309-A312 PolarHBondContact O-N 3.03Å
310	E	61.7	Low	71.2	Confident	124 Å²	124	69.8 Å²	69.8	58%	0.579	40%	0.402	S	S	*	.	H	α-helix	trans	-69.4	-25.1	179	-69.5	-178.6	175	0	0	112.6	T314	E310-T314 PolarHBondContact O-OG1 2.67Å
311	Q	62.3	Low	70.7	Confident	141 Å²	141	77.3 Å²	77.3	66%	0.659	44%	0.435	S	S	*	.	H	α-helix	trans	-73.1	-27.2	178.1	-66.4	-179.5	-1.4	0	0	113.2	A309 T314	A309-Q311 VanDerWaalsContact C-N 3.28Å; A309-Q311 PolarHBondContact O-N 2.81Å; Q311-T314 PolarHBondContact O-OG1 2.71Å; Q311-T314 VanDerWaalsContact O-OG1 3.06Å
312	A	55.5	Low	70.2	Confident	68 Å²	68	80.1 Å²	80.1	56%	0.562	45%	0.451	S	S	*	.	H	α-helix	trans	-73.2	-38.2	179.6	0	0	0	0	0	112.6	A309 A315 A316	A309-A312 PolarHBondContact O-N 3.03Å; A312-A315 PolarHBondContact O-N 2.86Å; A312-A316 PolarHBondContact O-N 3.07Å
313	E	61.2	Low	69.5	Low	134 Å²	134	85.1 Å²	85.1	63%	0.626	48%	0.477	S	S	*	.	H	α-helix	trans	-66.6	-39.8	179.8	-172.2	-177.7	171	0	0	112.3	A315 A316 N317	E313-A315 VanDerWaalsContact C-N 3.28Å; E313-A315 PolarHBondContact O-N 2.81Å; E313-A316 PolarHBondContact O-N 3.4Å; E313-N317 PolarHBondContact O-N 3.38Å; E313-N317 PolarHBondContact O-ND2 2.76Å
314	T	63.6	Low	69.1	Low	76 Å²	76	85.5 Å²	85.5	47%	0.466	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-28.5	177.2	40.1	0	0	0	0	112.9	E310 Q311 R318	E310-T314 PolarHBondContact O-OG1 2.67Å; Q311-T314 PolarHBondContact O-OG1 2.71Å; Q311-T314 VanDerWaalsContact O-OG1 3.06Å; T314-R318 WeakPolarHBondContact O-CG 3.22Å; T314-R318 PolarHBondContact O-N 2.84Å
315	A	57.6	Low	69	Low	49 Å²	49	84.3 Å²	84.3	41%	0.405	49%	0.488	S	S	.	.	H	α-helix	trans	-70.3	-43.1	173.1	0	0	0	0	0	112.4	A312 E313 N317 R318 I319	A312-A315 PolarHBondContact O-N 2.86Å; E313-A315 VanDerWaalsContact C-N 3.28Å; E313-A315 PolarHBondContact O-N 2.81Å; A315-N317 PolarHBondContact O-N 2.96Å; A315-R318 WeakPolarHBondContact O-CB 3.17Å; A315-R318 PolarHBondContact O-N 3.47Å; A315-I319 PolarHBondContact O-N 3.41Å
316	A	61.8	Low	69	Low	52 Å²	52	84.3 Å²	84.3	43%	0.43	48%	0.482	S	S	.	.	H	α-helix	trans	-60.7	-44.4	177.8	0	0	0	0	0	112.2	A312 E313 R318 I319 C320	A312-A316 PolarHBondContact O-N 3.07Å; E313-A316 PolarHBondContact O-N 3.4Å; A316-R318 PolarHBondContact O-N 3.27Å; A316-I319 PolarHBondContact O-N 3.49Å; A316-I319 VanDerWaalsContact O-N 3.12Å; A316-C320 PolarHBondContact O-N 2.91Å; A316-C320 VanDerWaalsContact O-N 3.16Å
317	N	69.1	Low	69.1	Low	90 Å²	90	90.3 Å²	90.3	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-62.1	-29	177.4	-78.9	-36.7	0	0	0	113.6	E313 A315 K321	E313-N317 PolarHBondContact O-N 3.38Å; E313-N317 PolarHBondContact O-ND2 2.76Å; A315-N317 PolarHBondContact O-N 2.96Å; N317-K321 WeakPolarHBondContact O-CG 3.47Å; N317-K321 PolarHBondContact O-N 3.49Å
318	R	70.8	Confident	69.6	Low	184 Å²	184	94.1 Å²	94.1	69%	0.694	52%	0.523	S	S	*	.	H	α-helix	trans	-71.4	-40.4	174.7	-71.1	171.7	-177.8	-178.1	2	111.6	T314 A315 A316 K321 V322	T314-R318 WeakPolarHBondContact O-CG 3.22Å; T314-R318 PolarHBondContact O-N 2.84Å; A315-R318 WeakPolarHBondContact O-CB 3.17Å; A315-R318 PolarHBondContact O-N 3.47Å; A316-R318 PolarHBondContact O-N 3.27Å; R318-K321 PolarHBondContact O-N 3.04Å; R318-V322 WeakPolarHBondContact O-CG2 3.39Å; R318-V322 PolarHBondContact O-N 3.2Å
319	I	71.5	Confident	70.7	Confident	108 Å²	108	92.1 Å²	92.1	55%	0.554	50%	0.502	S	S	*	.	H	α-helix	trans	-63.4	-46.8	178.3	-68	161.9	0	0	0	111	A315 A316 K321 V322 L323	A315-I319 PolarHBondContact O-N 3.41Å; A316-I319 PolarHBondContact O-N 3.49Å; A316-I319 VanDerWaalsContact O-N 3.12Å; I319-K321 VanDerWaalsContact C-N 3.31Å; I319-K321 PolarHBondContact O-N 3.29Å; I319-V322 PolarHBondContact O-N 3.45Å; I319-V322 VanDerWaalsContact O-N 3.13Å; I319-L323 HydrophobicContact CG2-CD1 3.89Å; I319-L323 PolarHBondContact O-N 3.47Å
320	C	71.9	Confident	71.9	Confident	82 Å²	82	93.1 Å²	93.1	55%	0.554	50%	0.495	S	S	*	.	H	α-helix	trans	-59	-40.2	179.9	-66.7	0	0	0	0	112.7	A316 V322 L323 A324	A316-C320 PolarHBondContact O-N 2.91Å; A316-C320 VanDerWaalsContact O-N 3.16Å; C320-V322 PolarHBondContact O-N 2.77Å; C320-L323 PolarHBondContact O-N 3.46Å; C320-A324 PolarHBondContact O-N 3.07Å
321	K	74.7	Confident	73.1	Confident	158 Å²	158	93.2 Å²	93.2	69%	0.687	49%	0.493	S	S	*	.	H	α-helix	trans	-63.5	-40.6	176.5	-73.7	179.5	-179.3	-178	0	112.4	N317 R318 I319 V325	N317-K321 WeakPolarHBondContact O-CG 3.47Å; N317-K321 PolarHBondContact O-N 3.49Å; R318-K321 PolarHBondContact O-N 3.04Å; I319-K321 VanDerWaalsContact C-N 3.31Å; I319-K321 PolarHBondContact O-N 3.29Å; K321-V325 WeakPolarHBondContact O-CG2 3.43Å; K321-V325 PolarHBondContact O-N 3.41Å
322	V	75.4	Confident	74.4	Confident	83 Å²	83	87.8 Å²	87.8	50%	0.503	47%	0.469	S	S	.	.	H	α-helix	trans	-69.2	-36.8	179.6	174.8	0	0	0	0	111.6	R318 I319 C320 N326	R318-V322 WeakPolarHBondContact O-CG2 3.39Å; R318-V322 PolarHBondContact O-N 3.2Å; I319-V322 PolarHBondContact O-N 3.45Å; I319-V322 VanDerWaalsContact O-N 3.13Å; C320-V322 PolarHBondContact O-N 2.77Å; V322-N326 PolarHBondContact O-N 3.35Å
323	L	74.4	Confident	76	Confident	106 Å²	106	87 Å²	87	56%	0.555	45%	0.454	S	S	*	.	H	α-helix	trans	-67.1	-44.3	176	-80.6	166.9	0	0	0	112.2	I319 C320 V325 N326 Q327	I319-L323 HydrophobicContact CG2-CD1 3.89Å; I319-L323 PolarHBondContact O-N 3.47Å; C320-L323 PolarHBondContact O-N 3.46Å; L323-V325 VanDerWaalsContact C-N 3.34Å; L323-V325 PolarHBondContact O-N 3Å; L323-N326 WeakPolarHBondContact O-CB 3.15Å; L323-N326 PolarHBondContact O-N 2.97Å; L323-Q327 PolarHBondContact O-N 3.47Å
324	A	77.1	Confident	77.4	Confident	50 Å²	50	87.3 Å²	87.3	41%	0.413	46%	0.455	S	S	.	.	H	α-helix	trans	-58.1	-44.7	178.6	0	0	0	0	0	112.3	C320 N326 Q327 E328	C320-A324 PolarHBondContact O-N 3.07Å; A324-N326 VanDerWaalsContact C-N 3.28Å; A324-N326 PolarHBondContact O-N 3.39Å; A324-Q327 PolarHBondContact O-N 2.89Å; A324-E328 PolarHBondContact O-N 2.86Å
325	V	81	Confident	78.6	Confident	61 Å²	61	87.2 Å²	87.2	37%	0.37	45%	0.45	S	S	.	.	H	α-helix	trans	-63	-34.8	175.8	174.9	0	0	0	0	111.7	K321 L323 N329	K321-V325 WeakPolarHBondContact O-CG2 3.43Å; K321-V325 PolarHBondContact O-N 3.41Å; L323-V325 VanDerWaalsContact C-N 3.34Å; L323-V325 PolarHBondContact O-N 3Å; V325-N329 VanDerWaalsContact O-CG 3.22Å; V325-N329 PolarHBondContact O-N 3.17Å; V325-N329 PolarHBondContact O-ND2 3.42Å
326	N	81.6	Confident	80.4	Confident	44 Å²	44	84.9 Å²	84.9	24%	0.235	43%	0.43	C	S	.	.	H	α-helix	trans	-70.3	-42.9	178	-163.1	33.5	0	0	0	112.4	V322 L323 A324 E328 N329 E330 R407	V322-N326 PolarHBondContact O-N 3.35Å; L323-N326 WeakPolarHBondContact O-CB 3.15Å; L323-N326 PolarHBondContact O-N 2.97Å; A324-N326 VanDerWaalsContact C-N 3.28Å; A324-N326 PolarHBondContact O-N 3.39Å; N326-E328 VanDerWaalsContact C-N 3.3Å; N326-E328 PolarHBondContact O-N 3.34Å; N326-N329 WeakPolarHBondContact O-CB 3.23Å; N326-N329 PolarHBondContact O-N 3.05Å; N326-E330 PolarHBondContact O-N 3.23Å; N326-R407 PolarHBondContact OD1-NH1 3.38Å
327	Q	82	Confident	81.8	Confident	144 Å²	144	84.9 Å²	84.9	67%	0.673	42%	0.421	S	S	*	.	H	α-helix	trans	-61.8	-38.8	179	-168.8	174.8	20.3	0	0	111.9	L323 A324 N329 E330 K331	L323-Q327 PolarHBondContact O-N 3.47Å; A324-Q327 PolarHBondContact O-N 2.89Å; Q327-N329 VanDerWaalsContact C-N 3.35Å; Q327-E330 PolarHBondContact O-N 2.92Å; Q327-K331 PolarHBondContact O-N 3.32Å; Q327-K331 VanDerWaalsContact O-N 3.07Å
328	E	84.9	Confident	82.9	Confident	109 Å²	109	86.9 Å²	86.9	51%	0.509	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-39.2	172.2	-75.4	-172.9	-171.8	0	0	112.9	A324 N326 K331 L332 K401	A324-E328 PolarHBondContact O-N 2.86Å; N326-E328 VanDerWaalsContact C-N 3.3Å; N326-E328 PolarHBondContact O-N 3.34Å; E328-K331 PolarHBondContact O-N 3.03Å; E328-L332 WeakPolarHBondContact O-CG 3.43Å; E328-L332 PolarHBondContact O-N 2.81Å; E328-L332 VanDerWaalsContact O-N 3.08Å; E328-K401 IonicContact OE2-NZ 3.96Å; E328-K401 PolarHBondContact OE2-NZ 2.75Å
329	N	86.7	Confident	84	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-68.2	-40.9	178.9	-67.6	-24.7	0	0	0	111.3	V325 N326 Q327 K331 L332 M333 L398 L402	V325-N329 VanDerWaalsContact O-CG 3.22Å; V325-N329 PolarHBondContact O-N 3.17Å; V325-N329 PolarHBondContact O-ND2 3.42Å; N326-N329 WeakPolarHBondContact O-CB 3.23Å; N326-N329 PolarHBondContact O-N 3.05Å; Q327-N329 VanDerWaalsContact C-N 3.35Å; N329-K331 VanDerWaalsContact C-N 3.34Å; N329-L332 PolarHBondContact O-N 3.19Å; N329-M333 WeakPolarHBondContact O-CG 3.35Å; N329-M333 PolarHBondContact O-N 3.24Å; N329-L398 HydrophobicContact CB-CD1 3.98Å; N329-L402 HydrophobicContact CB-CD2 4.47Å
330	E	85.5	Confident	85	Confident	93 Å²	93	74.8 Å²	74.8	44%	0.435	38%	0.376	S	S	.	.	H	α-helix	trans	-59.8	-44.2	173.8	-75.3	174.9	-173.9	0	0	111.8	N326 Q327 L332 M333 E334	N326-E330 PolarHBondContact O-N 3.23Å; Q327-E330 PolarHBondContact O-N 2.92Å; E330-L332 PolarHBondContact O-N 3.14Å; E330-M333 HydrophobicContact CB-CE 4.19Å; E330-M333 HydrophobicContact CG-CE 3.68Å; E330-M333 WeakPolarHBondContact O-CB 3.35Å; E330-M333 PolarHBondContact O-N 3.4Å; E330-M333 VanDerWaalsContact O-N 3.14Å; E330-E334 PolarHBondContact O-N 3.25Å
331	K	87.3	Confident	86.1	Confident	126 Å²	126	72.6 Å²	72.6	55%	0.548	36%	0.361	S	S	.	.	H	α-helix	trans	-60	-43.8	175.4	-168.8	-179.6	178.6	-172.9	0	112.6	Q327 E328 N329 M333 E334 E335	Q327-K331 PolarHBondContact O-N 3.32Å; Q327-K331 VanDerWaalsContact O-N 3.07Å; E328-K331 PolarHBondContact O-N 3.03Å; N329-K331 VanDerWaalsContact C-N 3.34Å; K331-M333 VanDerWaalsContact C-N 3.31Å; K331-M333 PolarHBondContact O-N 3.33Å; K331-E334 PolarHBondContact O-N 3.39Å; K331-E335 VanDerWaalsContact CE-OE1 3.27Å; K331-E335 WeakPolarHBondContact CE-OE1 3.28Å; K331-E335 WeakPolarHBondContact O-CB 3.41Å; K331-E335 WeakPolarHBondContact O-CG 3.36Å; K331-E335 PolarHBondContact O-N 2.86Å
332	L	89.2	Confident	87	Confident	27 Å²	27	69.2 Å²	69.2	14%	0.141	35%	0.348	C	S	.	.	H	α-helix	trans	-65.1	-33.8	176.3	-75.5	171.3	0	0	0	112.6	E328 N329 E330 Y336 L398 K401	E328-L332 WeakPolarHBondContact O-CG 3.43Å; E328-L332 PolarHBondContact O-N 2.81Å; E328-L332 VanDerWaalsContact O-N 3.08Å; N329-L332 PolarHBondContact O-N 3.19Å; E330-L332 PolarHBondContact O-N 3.14Å; L332-Y336 PolarHBondContact O-N 3.2Å; L332-Y336 VanDerWaalsContact O-N 3.1Å; L332-L398 HydrophobicContact CB-CD1 4.1Å; L332-L398 HydrophobicContact CD1-CD1 4.47Å; L332-K401 HydrophobicContact CD1-CD 4.13Å
333	M	88.8	Confident	87.9	Confident	52 Å²	52	65.3 Å²	65.3	26%	0.256	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-48	173.9	-73.9	-174.9	-66.4	0	0	111.2	N329 E330 K331 Y336 E337 L398 F410	N329-M333 WeakPolarHBondContact O-CG 3.35Å; N329-M333 PolarHBondContact O-N 3.24Å; E330-M333 HydrophobicContact CB-CE 4.19Å; E330-M333 HydrophobicContact CG-CE 3.68Å; E330-M333 WeakPolarHBondContact O-CB 3.35Å; E330-M333 PolarHBondContact O-N 3.4Å; E330-M333 VanDerWaalsContact O-N 3.14Å; K331-M333 VanDerWaalsContact C-N 3.31Å; K331-M333 PolarHBondContact O-N 3.33Å; M333-Y336 PolarHBondContact O-N 2.96Å; M333-E337 PolarHBondContact O-N 2.9Å; M333-L398 HydrophobicContact CB-CD2 4.37Å; M333-L398 HydrophobicContact CG-CD1 4.34Å; M333-L398 HydrophobicContact CG-CD2 3.4Å; M333-L398 HydrophobicContact CG-CG 4.46Å; M333-F410 HydrophobicContact CB-CD2 4.29Å; M333-F410 HydrophobicContact CB-CE2 3.91Å; M333-F410 HydrophobicContact CB-CZ 4.22Å; M333-F410 HydrophobicContact CG-CD1 4.45Å; M333-F410 HydrophobicContact CG-CD2 3.48Å; M333-F410 VanDerWaalsContact CG-CD2 3.48Å; M333-F410 HydrophobicContact CG-CE2 3.63Å; M333-F410 HydrophobicContact CG-CG 3.92Å; M333-F410 HydrophobicContact CG-CZ 4.17Å; M333-F410 HydrophobicContact SD-CB 4.41Å; M333-F410 HydrophobicContact SD-CD2 3.35Å; M333-F410 WeakPolarHBondContact SD-CD2 3.15Å; M333-F410 HydrophobicContact SD-CE2 3.83Å; M333-F410 HydrophobicContact SD-CG 4.09Å
334	E	89.7	Confident	88.8	Confident	139 Å²	139	61 Å²	61	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-62.6	-43.3	177.6	-70.3	178.1	177.9	0	0	112.3	E330 K331 Y336 E337 K338	E330-E334 PolarHBondContact O-N 3.25Å; K331-E334 PolarHBondContact O-N 3.39Å; E334-Y336 VanDerWaalsContact C-N 3.33Å; E334-Y336 PolarHBondContact O-N 3.46Å; E334-E337 PolarHBondContact O-N 3.37Å; E334-K338 WeakPolarHBondContact O-CB 3.46Å; E334-K338 PolarHBondContact O-N 3.4Å
335	E	90.4	Very high	89.6	Confident	75 Å²	75	61.8 Å²	61.8	35%	0.35	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-40.9	177	-76.4	175.8	-172.8	0	0	111.8	K331 L339	K331-E335 VanDerWaalsContact CE-OE1 3.27Å; K331-E335 WeakPolarHBondContact CE-OE1 3.28Å; K331-E335 WeakPolarHBondContact O-CB 3.41Å; K331-E335 WeakPolarHBondContact O-CG 3.36Å; K331-E335 PolarHBondContact O-N 2.86Å; E335-L339 WeakPolarHBondContact O-CB 3.42Å; E335-L339 VanDerWaalsContact O-CG 3.31Å; E335-L339 WeakPolarHBondContact O-CG 3.3Å; E335-L339 PolarHBondContact O-N 3.28Å; E335-L339 VanDerWaalsContact O-N 3.08Å
336	Y	94	Very high	90.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-49.8	173.6	177.1	-84.9	0	0	0	111.7	L332 M333 E334 K338 L339 A340 L391 F395 F410 P412 K416 V418	L332-Y336 PolarHBondContact O-N 3.2Å; L332-Y336 VanDerWaalsContact O-N 3.1Å; M333-Y336 PolarHBondContact O-N 2.96Å; E334-Y336 VanDerWaalsContact C-N 3.33Å; E334-Y336 PolarHBondContact O-N 3.46Å; Y336-K338 VanDerWaalsContact C-N 3.32Å; Y336-K338 PolarHBondContact O-N 3.18Å; Y336-L339 PolarHBondContact O-N 3.09Å; Y336-A340 HydrophobicContact CE1-CB 4.36Å; Y336-A340 VanDerWaalsContact O-CB 3.28Å; Y336-A340 WeakPolarHBondContact O-CB 3.43Å; Y336-A340 PolarHBondContact O-N 2.69Å; Y336-L391 HydrophobicContact CD2-CD2 4.04Å; Y336-L391 HydrophobicContact CD2-CG 3.82Å; Y336-L391 HydrophobicContact CE2-CD1 4.46Å; Y336-L391 HydrophobicContact CE2-CD2 3.32Å; Y336-L391 HydrophobicContact CE2-CG 3.63Å; Y336-F395 HydrophobicContact CD2-CB 3.87Å; Y336-F395 HydrophobicContact CD2-CD2 4.22Å; Y336-F395 HydrophobicContact CE2-CB 3.64Å; Y336-F395 AromaticContact CE2-CD2 3.75Å; Y336-F395 HydrophobicContact CE2-CD2 3.75Å; Y336-F395 HydrophobicContact CE2-CG 4.02Å; Y336-F410 AromaticContact CD1-CE1 3.63Å; Y336-F410 HydrophobicContact CD1-CE1 3.63Å; Y336-F410 HydrophobicContact CD1-CZ 4.04Å; Y336-F410 HydrophobicContact CE1-CE1 4.14Å; Y336-F410 HydrophobicContact CG-CE1 4.03Å; Y336-P412 HydrophobicContact CD1-CB 4.44Å; Y336-P412 HydrophobicContact CD1-CG 4.22Å; Y336-P412 HydrophobicContact CE1-CB 3.65Å; Y336-P412 HydrophobicContact CE1-CG 3.39Å; Y336-K416 PolarHBondContact OH-O 3.16Å; Y336-V418 HydrophobicContact CE2-CG2 4.05Å; Y336-V418 VanDerWaalsContact OH-CG2 3.26Å; Y336-V418 WeakPolarHBondContact OH-CG2 3.42Å; Y336-V418 PolarHBondContact OH-N 3.37Å
337	E	91.8	Very high	91	Very high	51 Å²	51	59.1 Å²	59.1	24%	0.238	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-42.9	-177.8	-119.3	-83.3	155.5	0	0	111.8	M333 E334 S341 S413 K416	M333-E337 PolarHBondContact O-N 2.9Å; E334-E337 PolarHBondContact O-N 3.37Å; E337-S341 WeakPolarHBondContact O-CB 3.36Å; E337-S341 PolarHBondContact O-N 3.33Å; E337-S341 VanDerWaalsContact O-N 3.09Å; E337-S341 PolarHBondContact O-OG 3.14Å; E337-S413 WeakPolarHBondContact OE1-CB 3.44Å; E337-S413 PolarHBondContact OE1-OG 2.58Å; E337-K416 WeakPolarHBondContact OE1-CD 3.4Å; E337-K416 IonicContact OE1-NZ 2.93Å; E337-K416 PolarHBondContact OE1-NZ 3.48Å; E337-K416 IonicContact OE2-NZ 3.32Å; E337-K416 PolarHBondContact OE2-NZ 3.25Å
338	K	91.6	Very high	91.6	Very high	133 Å²	133	59.4 Å²	59.4	58%	0.578	27%	0.272	S	S	*	.	H	α-helix	trans	-64.3	-53.4	177	-176.4	-179.5	175.1	-176.5	0	111.8	E334 Y336 A340 S341 E342	E334-K338 WeakPolarHBondContact O-CB 3.46Å; E334-K338 PolarHBondContact O-N 3.4Å; Y336-K338 VanDerWaalsContact C-N 3.32Å; Y336-K338 PolarHBondContact O-N 3.18Å; K338-A340 VanDerWaalsContact C-N 3.3Å; K338-A340 PolarHBondContact O-N 3.02Å; K338-S341 PolarHBondContact O-N 2.98Å; K338-E342 WeakPolarHBondContact CE-OE1 3.26Å; K338-E342 PolarHBondContact O-N 3.3Å
339	L	93.5	Very high	92	Very high	37 Å²	37	62.8 Å²	62.8	19%	0.194	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-40.7	179.8	-74.1	170.7	0	0	0	111.7	E335 Y336 S341 L343 L391	E335-L339 WeakPolarHBondContact O-CB 3.42Å; E335-L339 VanDerWaalsContact O-CG 3.31Å; E335-L339 WeakPolarHBondContact O-CG 3.3Å; E335-L339 PolarHBondContact O-N 3.28Å; E335-L339 VanDerWaalsContact O-N 3.08Å; Y336-L339 PolarHBondContact O-N 3.09Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.46Å; L339-L343 VanDerWaalsContact O-CB 3.23Å; L339-L343 WeakPolarHBondContact O-CB 3.36Å; L339-L343 PolarHBondContact O-N 3.19Å; L339-L391 HydrophobicContact CB-CD1 4.07Å
340	A	93.8	Very high	92.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-44.7	177	0	0	0	0	0	111.5	Y336 K338 L344 L391 K416 I421	Y336-A340 HydrophobicContact CE1-CB 4.36Å; Y336-A340 VanDerWaalsContact O-CB 3.28Å; Y336-A340 WeakPolarHBondContact O-CB 3.43Å; Y336-A340 PolarHBondContact O-N 2.69Å; K338-A340 VanDerWaalsContact C-N 3.3Å; K338-A340 PolarHBondContact O-N 3.02Å; A340-L344 VanDerWaalsContact O-CB 3.31Å; A340-L344 WeakPolarHBondContact O-CB 3.31Å; A340-L344 VanDerWaalsContact O-CG 3.24Å; A340-L344 WeakPolarHBondContact O-CG 3.41Å; A340-L344 PolarHBondContact O-N 3.28Å; A340-L391 VanDerWaalsContact CA-CD1 3.41Å; A340-L391 HydrophobicContact CB-CD1 3.75Å; A340-K416 HydrophobicContact CB-CB 4.21Å; A340-K416 HydrophobicContact CB-CD 4.26Å; A340-I421 HydrophobicContact CB-CD1 3.89Å
341	S	93.6	Very high	92.9	Very high	36 Å²	36	60.4 Å²	60.4	25%	0.252	27%	0.272	S	S	.	.	H	α-helix	trans	-66.4	-46.7	-178.2	-55.5	0	0	0	0	112	E337 K338 L339 E345 K416	E337-S341 WeakPolarHBondContact O-CB 3.36Å; E337-S341 PolarHBondContact O-N 3.33Å; E337-S341 VanDerWaalsContact O-N 3.09Å; E337-S341 PolarHBondContact O-OG 3.14Å; K338-S341 PolarHBondContact O-N 2.98Å; L339-S341 VanDerWaalsContact C-N 3.33Å; L339-S341 PolarHBondContact O-N 3.46Å; S341-E345 VanDerWaalsContact O-CB 3.26Å; S341-E345 WeakPolarHBondContact O-CB 3.48Å; S341-E345 PolarHBondContact O-N 2.83Å; S341-K416 VanDerWaalsContact OG-CE 3.3Å; S341-K416 WeakPolarHBondContact OG-CE 3.31Å; S341-K416 PolarHBondContact OG-NZ 3.41Å
342	E	93.5	Very high	93.2	Very high	88 Å²	88	57.9 Å²	57.9	41%	0.411	27%	0.269	S	S	.	.	H	α-helix	trans	-63.8	-43.1	178.7	-70.9	176.6	-177.1	0	0	111.5	K338 W346	K338-E342 WeakPolarHBondContact CE-OE1 3.26Å; K338-E342 PolarHBondContact O-N 3.3Å; E342-W346 WeakPolarHBondContact O-CB 3.48Å; E342-W346 PolarHBondContact O-N 3.01Å
343	L	94.8	Very high	93.5	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-46.9	179.6	-172.8	64.2	0	0	0	112	L339 E345 W346 I347 R384 K388 I421 W425	L339-L343 VanDerWaalsContact O-CB 3.23Å; L339-L343 WeakPolarHBondContact O-CB 3.36Å; L339-L343 PolarHBondContact O-N 3.19Å; L343-E345 VanDerWaalsContact C-N 3.33Å; L343-E345 PolarHBondContact O-N 2.95Å; L343-W346 HydrophobicContact CD1-CE3 4.45Å; L343-W346 PolarHBondContact O-N 3.02Å; L343-I347 HydrophobicContact CG-CD1 4.38Å; L343-I347 WeakPolarHBondContact O-CG1 3.27Å; L343-I347 PolarHBondContact O-N 3.38Å; L343-R384 HydrophobicContact CD1-CB 4.08Å; L343-K388 HydrophobicContact CD2-CB 3.85Å; L343-K388 HydrophobicContact CD2-CG 4.32Å; L343-I421 HydrophobicContact CD2-CG2 3.79Å; L343-W425 HydrophobicContact CD1-CZ3 4.01Å
344	L	94.1	Very high	93.7	Very high	16 Å²	16	58.9 Å²	58.9	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-38.2	178.2	-73.7	170.3	0	0	0	112	A340 I347 R348 K416 I421 A424	A340-L344 VanDerWaalsContact O-CB 3.31Å; A340-L344 WeakPolarHBondContact O-CB 3.31Å; A340-L344 VanDerWaalsContact O-CG 3.24Å; A340-L344 WeakPolarHBondContact O-CG 3.41Å; A340-L344 PolarHBondContact O-N 3.28Å; L344-I347 PolarHBondContact O-N 2.72Å; L344-R348 WeakPolarHBondContact O-CG 3.34Å; L344-R348 PolarHBondContact O-N 2.96Å; L344-K416 HydrophobicContact CD1-CG 4.08Å; L344-I421 HydrophobicContact CD1-CG1 4.15Å; L344-I421 HydrophobicContact CD2-CG1 4.05Å; L344-I421 HydrophobicContact CG-CG1 4.12Å; L344-A424 HydrophobicContact CD2-CB 3.94Å
345	E	93.8	Very high	93.9	Very high	66 Å²	66	57.5 Å²	57.5	31%	0.308	26%	0.262	S	S	.	.	H	α-helix	trans	-66.1	-41.3	175.8	-176.3	60.1	-166.6	0	0	111.9	S341 L343 R348 R349	S341-E345 VanDerWaalsContact O-CB 3.26Å; S341-E345 WeakPolarHBondContact O-CB 3.48Å; S341-E345 PolarHBondContact O-N 2.83Å; L343-E345 VanDerWaalsContact C-N 3.33Å; L343-E345 PolarHBondContact O-N 2.95Å; E345-R348 PolarHBondContact O-N 3.36Å; E345-R348 IonicContact OE2-CZ 2.69Å; E345-R348 IonicContact OE2-NE 3.82Å; E345-R348 PolarHBondContact OE2-NE 3.08Å; E345-R348 IonicContact OE2-NH2 2.68Å; E345-R348 PolarHBondContact OE2-NH2 2.92Å; E345-R349 WeakPolarHBondContact O-CG 3.34Å; E345-R349 PolarHBondContact O-N 2.78Å; E345-R349 IonicContact OE1-CZ 3.75Å; E345-R349 VanDerWaalsContact OE1-CZ 3.3Å; E345-R349 IonicContact OE1-NE 2.75Å; E345-R349 PolarHBondContact OE1-NE 2.67Å; E345-R349 IonicContact OE1-NH2 2.72Å; E345-R349 PolarHBondContact OE1-NH2 3.47Å
346	W	95.8	Very high	93.9	Very high	42 Å²	42	57.4 Å²	57.4	16%	0.159	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-44.2	173.9	177.7	80.3	0	0	0	111.8	E342 L343 R349 T350 Y376 K381 R384 W425 L428	E342-W346 WeakPolarHBondContact O-CB 3.48Å; E342-W346 PolarHBondContact O-N 3.01Å; L343-W346 HydrophobicContact CD1-CE3 4.45Å; L343-W346 PolarHBondContact O-N 3.02Å; W346-R349 PolarHBondContact O-N 2.73Å; W346-T350 HydrophobicContact CZ2-CG2 4.39Å; W346-T350 WeakPolarHBondContact O-CB 3.36Å; W346-T350 PolarHBondContact O-N 3.31Å; W346-T350 PolarHBondContact O-OG1 3.08Å; W346-Y376 HydrophobicContact CH2-CE2 4.03Å; W346-Y376 AromaticContact CZ2-CE2 3.66Å; W346-Y376 HydrophobicContact CZ2-CE2 3.66Å; W346-K381 HydrophobicContact CH2-CG 4.48Å; W346-R384 HydrophobicContact CD2-CG 3.84Å; W346-R384 HydrophobicContact CE3-CB 4.2Å; W346-R384 HydrophobicContact CE3-CG 3.97Å; W346-R384 HydrophobicContact CG-CG 4.48Å; W346-R384 HydrophobicContact CH2-CB 4.15Å; W346-R384 HydrophobicContact CH2-CG 4.01Å; W346-R384 HydrophobicContact CZ2-CB 4.49Å; W346-R384 HydrophobicContact CZ2-CG 3.85Å; W346-R384 HydrophobicContact CZ3-CB 3.99Å; W346-R384 HydrophobicContact CZ3-CG 4.06Å; W346-W425 HydrophobicContact CZ3-CH2 4.25Å; W346-W425 AromaticContact CZ3-CZ3 3.88Å; W346-W425 HydrophobicContact CZ3-CZ3 3.88Å; W346-L428 HydrophobicContact CH2-CD2 3.9Å; W346-L428 HydrophobicContact CZ3-CD2 3.5Å
347	I	95.2	Very high	93.7	Very high	7 Å²	7	61.6 Å²	61.6	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-59.6	-49.6	175.5	-66	168.4	0	0	0	110.2	L343 L344 R349 T350 V351 A424 W425 L428	L343-I347 HydrophobicContact CG-CD1 4.38Å; L343-I347 WeakPolarHBondContact O-CG1 3.27Å; L343-I347 PolarHBondContact O-N 3.38Å; L344-I347 PolarHBondContact O-N 2.72Å; I347-R349 VanDerWaalsContact C-N 3.25Å; I347-R349 PolarHBondContact O-N 2.93Å; I347-T350 PolarHBondContact O-N 3.44Å; I347-T350 VanDerWaalsContact O-N 3.12Å; I347-V351 HydrophobicContact CG2-CG2 4.03Å; I347-V351 WeakPolarHBondContact O-CG2 2.98Å; I347-V351 PolarHBondContact O-N 3.1Å; I347-A424 HydrophobicContact CD1-CB 4.1Å; I347-A424 HydrophobicContact CG2-CB 4.35Å; I347-W425 HydrophobicContact CD1-CE3 4.04Å; I347-L428 HydrophobicContact CG1-CD2 4.29Å; I347-L428 HydrophobicContact CG2-CB 4.29Å
348	R	94.6	Very high	93.6	Very high	150 Å²	150	63.5 Å²	63.5	57%	0.566	29%	0.294	S	S	*	.	H	α-helix	trans	-58.1	-34.8	-180	-78.8	-170.4	-66.1	-106.6	-0.6	113.4	L344 E345 P352	L344-R348 WeakPolarHBondContact O-CG 3.34Å; L344-R348 PolarHBondContact O-N 2.96Å; E345-R348 PolarHBondContact O-N 3.36Å; E345-R348 IonicContact OE2-CZ 2.69Å; E345-R348 IonicContact OE2-NE 3.82Å; E345-R348 PolarHBondContact OE2-NE 3.08Å; E345-R348 IonicContact OE2-NH2 2.68Å; E345-R348 PolarHBondContact OE2-NH2 2.92Å; R348-P352 WeakPolarHBondContact O-CD 3.49Å
349	R	94.8	Very high	93.1	Very high	179 Å²	179	58.9 Å²	58.9	68%	0.675	28%	0.284	S	S	*	.	H	α-helix	trans	-78.9	-33	176.4	-69.9	179.4	-173.2	-171.4	1.3	113.5	E345 W346 I347	E345-R349 WeakPolarHBondContact O-CG 3.34Å; E345-R349 PolarHBondContact O-N 2.78Å; E345-R349 IonicContact OE1-CZ 3.75Å; E345-R349 VanDerWaalsContact OE1-CZ 3.3Å; E345-R349 IonicContact OE1-NE 2.75Å; E345-R349 PolarHBondContact OE1-NE 2.67Å; E345-R349 IonicContact OE1-NH2 2.72Å; E345-R349 PolarHBondContact OE1-NH2 3.47Å; W346-R349 PolarHBondContact O-N 2.73Å; I347-R349 VanDerWaalsContact C-N 3.25Å; I347-R349 PolarHBondContact O-N 2.93Å
350	T	95.3	Very high	92.7	Very high	14 Å²	14	60.5 Å²	60.5	9%	0.086	29%	0.291	C	S	.	.	H	α-helix	trans	-79.4	-36.3	-174.6	-54.5	0	0	0	0	112	W346 I347 W353 L354 Y376 L428	W346-T350 HydrophobicContact CZ2-CG2 4.39Å; W346-T350 WeakPolarHBondContact O-CB 3.36Å; W346-T350 PolarHBondContact O-N 3.31Å; W346-T350 PolarHBondContact O-OG1 3.08Å; I347-T350 PolarHBondContact O-N 3.44Å; I347-T350 VanDerWaalsContact O-N 3.12Å; T350-W353 HydrophobicContact CG2-CE3 4.45Å; T350-W353 PolarHBondContact O-N 3.24Å; T350-L354 HydrophobicContact CG2-CD1 3.95Å; T350-L354 HydrophobicContact CG2-CG 4.34Å; T350-L354 PolarHBondContact O-N 3.49Å; T350-L354 VanDerWaalsContact O-N 3.14Å; T350-Y376 HydrophobicContact CG2-CD2 4.47Å; T350-Y376 HydrophobicContact CG2-CE2 3.57Å; T350-L428 HydrophobicContact CG2-CD1 4.04Å
351	V	94.7	Very high	91.8	Very high	29 Å²	29	66 Å²	66	18%	0.176	33%	0.326	C	S	.	.	H	α-helix	trans	-55.4	-50.8	-178.4	166.6	0	0	0	0	112.5	I347 W353 L354 E355 L428 V431	I347-V351 HydrophobicContact CG2-CG2 4.03Å; I347-V351 WeakPolarHBondContact O-CG2 2.98Å; I347-V351 PolarHBondContact O-N 3.1Å; V351-W353 VanDerWaalsContact C-N 3.29Å; V351-W353 PolarHBondContact O-N 3.3Å; V351-L354 CarbonylContact O-C 3.54Å; V351-L354 PolarHBondContact O-N 3.06Å; V351-L354 VanDerWaalsContact O-N 3.08Å; V351-E355 HydrophobicContact CG1-CG 4.13Å; V351-E355 WeakPolarHBondContact O-CG 3.4Å; V351-E355 PolarHBondContact O-N 2.84Å; V351-L428 HydrophobicContact CG2-CB 4.43Å; V351-L428 HydrophobicContact CG2-CD1 3.94Å; V351-V431 HydrophobicContact CG1-CG2 4.31Å
352	P	94.7	Very high	91.2	Very high	74 Å²	74	66.5 Å²	66.5	48%	0.481	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-34.2	178.9	-25.5	34.8	0	0	0	114.3	R348 E355 N356	R348-P352 WeakPolarHBondContact O-CD 3.49Å; P352-E355 PolarHBondContact O-N 2.94Å; P352-N356 PolarHBondContact O-N 3.16Å; P352-N356 VanDerWaalsContact O-N 3.14Å
353	W	94.4	Very high	90.9	Very high	99 Å²	99	65 Å²	65	38%	0.375	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-40.8	175.7	173.3	75.8	0	0	0	111.4	T350 V351 D372 F373 Y376	T350-W353 HydrophobicContact CG2-CE3 4.45Å; T350-W353 PolarHBondContact O-N 3.24Å; V351-W353 VanDerWaalsContact C-N 3.29Å; V351-W353 PolarHBondContact O-N 3.3Å; W353-D372 HydrophobicContact CZ2-CB 4.41Å; W353-F373 HydrophobicContact CH2-CD2 4.29Å; W353-Y376 HydrophobicContact CH2-CG 4.2Å; W353-Y376 HydrophobicContact CZ3-CD1 4.21Å; W353-Y376 HydrophobicContact CZ3-CD2 4.02Å; W353-Y376 AromaticContact CZ3-CG 3.83Å; W353-Y376 HydrophobicContact CZ3-CG 3.83Å
354	L	93.8	Very high	90.5	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-77.4	-21.3	175.5	-65.9	169.4	0	0	0	113.4	T350 V351 N356 R357 F373 L428 V431 E432 Y435	T350-L354 HydrophobicContact CG2-CD1 3.95Å; T350-L354 HydrophobicContact CG2-CG 4.34Å; T350-L354 PolarHBondContact O-N 3.49Å; T350-L354 VanDerWaalsContact O-N 3.14Å; V351-L354 CarbonylContact O-C 3.54Å; V351-L354 PolarHBondContact O-N 3.06Å; V351-L354 VanDerWaalsContact O-N 3.08Å; L354-N356 VanDerWaalsContact C-N 3.35Å; L354-R357 PolarHBondContact O-NH1 2.93Å; L354-F373 HydrophobicContact CD2-CD2 4.01Å; L354-F373 HydrophobicContact CD2-CE2 3.77Å; L354-L428 HydrophobicContact CD1-CD1 3.57Å; L354-V431 HydrophobicContact CB-CG1 3.49Å; L354-V431 VanDerWaalsContact CB-CG1 3.49Å; L354-E432 HydrophobicContact CD1-CB 4.43Å; L354-E432 HydrophobicContact CD1-CG 3.43Å; L354-E432 VanDerWaalsContact CD1-CG 3.43Å; L354-Y435 HydrophobicContact CD2-CD1 3.76Å; L354-Y435 HydrophobicContact CD2-CE1 4.28Å; L354-Y435 HydrophobicContact CD2-CG 4.03Å; L354-Y435 WeakPolarHBondContact O-CB 3.44Å; L354-Y435 WeakPolarHBondContact O-CD2 3.4Å
355	E	93.4	Very high	90.3	Very high	111 Å²	111	67.8 Å²	67.8	52%	0.519	35%	0.346	S	S	.	.	H	α-helix	trans	-81.4	-15.9	173.9	-74.4	-175.8	157.7	0	0	112.8	V351 P352 R357 V431	V351-E355 HydrophobicContact CG1-CG 4.13Å; V351-E355 WeakPolarHBondContact O-CG 3.4Å; V351-E355 PolarHBondContact O-N 2.84Å; P352-E355 PolarHBondContact O-N 2.94Å; E355-R357 WeakPolarHBondContact O-CG 3.38Å; E355-R357 PolarHBondContact O-N 3.35Å; E355-V431 HydrophobicContact CB-CG1 4.45Å; E355-V431 HydrophobicContact CG-CG1 3.49Å; E355-V431 VanDerWaalsContact CG-CG1 3.49Å; E355-V431 HydrophobicContact CG-CG2 4.14Å
356	N	91.3	Very high	90.1	Very high	73 Å²	73	64.7 Å²	64.7	39%	0.39	33%	0.331	S	S	.	.			trans	-68.6	103.7	177.7	-174.7	-0.2	0	0	0	111.3	P352 L354 V358	P352-N356 PolarHBondContact O-N 3.16Å; P352-N356 VanDerWaalsContact O-N 3.14Å; L354-N356 VanDerWaalsContact C-N 3.35Å; N356-V358 WeakPolarHBondContact OD1-CB 3.48Å; N356-V358 WeakPolarHBondContact OD1-CG2 3.48Å; N356-V358 PolarHBondContact OD1-N 2.87Å; N356-V358 VanDerWaalsContact OD1-N 3.16Å
357	R	90.1	Very high	89.8	Confident	88 Å²	88	67.5 Å²	67.5	33%	0.332	35%	0.346	S	S	.	.			trans	-97.1	25.1	-179.7	-57.7	-76	180	-109.1	-3.4	113.4	L354 E355 G359 V431 Y435 W438	L354-R357 PolarHBondContact O-NH1 2.93Å; E355-R357 WeakPolarHBondContact O-CG 3.38Å; E355-R357 PolarHBondContact O-N 3.35Å; R357-G359 PolarHBondContact O-N 3.5Å; R357-V431 PolarHBondContact NH2-O 3.17Å; R357-Y435 VanDerWaalsContact NH2-N 3.18Å; R357-W438 HydrophobicContact CB-CD2 4.3Å; R357-W438 HydrophobicContact CB-CZ2 4.34Å; R357-W438 WeakPolarHBondContact O-CZ2 3.42Å
358	V	87.9	Confident	89.6	Confident	91 Å²	91	75.5 Å²	75.5	55%	0.552	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-76.7	117.6	177.6	177.2	0	0	0	0	110	N356 W438	N356-V358 WeakPolarHBondContact OD1-CB 3.48Å; N356-V358 WeakPolarHBondContact OD1-CG2 3.48Å; N356-V358 PolarHBondContact OD1-N 2.87Å; N356-V358 VanDerWaalsContact OD1-N 3.16Å; V358-W438 WeakPolarHBondContact O-CH2 3.25Å
359	G	81.1	Confident	89.4	Confident	36 Å²	36	69.8 Å²	69.8	37%	0.371	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-75.1	144.4	176.6	0	0	0	0	0	111.9	R357	R357-G359 PolarHBondContact O-N 3.5Å
360	E	85.1	Confident	89.3	Confident	71 Å²	71	62.7 Å²	62.7	33%	0.332	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-91	147.9	174.2	-62.2	-66.8	158.7	0	0	110.7	S362 A365 M366 K369	E360-S362 VanDerWaalsContact C-N 3.25Å; E360-S362 PolarHBondContact O-N 3.4Å; E360-A365 HydrophobicContact CB-CB 3.56Å; E360-A365 HydrophobicContact CG-CB 3.94Å; E360-M366 HydrophobicContact CB-CG 4Å; E360-M366 HydrophobicContact CB-SD 3.81Å; E360-M366 HydrophobicContact CG-SD 3.91Å; E360-M366 PolarHBondContact N-SD 3.19Å; E360-M366 VanDerWaalsContact N-SD 3.41Å; E360-K369 HydrophobicContact CG-CD 3.78Å; E360-K369 WeakPolarHBondContact OE1-CE 3.26Å; E360-K369 IonicContact OE1-NZ 2.89Å
361	P	75.6	Confident	89.1	Confident	114 Å²	114	65.2 Å²	65.2	74%	0.74	34%	0.341	S	S	*	.	S	Bend	trans	-70.2	-18.7	-174.9	27.2	-35	0	0	0	113.9
362	S	82.3	Confident	89	Confident	47 Å²	47	67.9 Å²	67.9	33%	0.329	36%	0.355	S	S	.	.	S	Bend	trans	-118.7	144.4	-176.8	76.7	0	0	0	0	112.8	E360 S364 A365 M366	E360-S362 VanDerWaalsContact C-N 3.25Å; E360-S362 PolarHBondContact O-N 3.4Å; S362-S364 PolarHBondContact O-N 3.36Å; S362-S364 PolarHBondContact OG-OG 3.35Å; S362-A365 PolarHBondContact O-N 3.46Å; S362-A365 VanDerWaalsContact O-N 3.11Å; S362-A365 WeakPolarHBondContact OG-CB 3.27Å; S362-A365 PolarHBondContact OG-N 3.13Å; S362-A365 VanDerWaalsContact OG-N 3.12Å; S362-M366 PolarHBondContact O-N 3.06Å
363	M	86.5	Confident	89	Confident	58 Å²	58	64.7 Å²	64.7	29%	0.286	33%	0.333	S	S	.	.	H	α-helix	trans	-58.3	-38.7	176.5	-166.5	-77.5	-74.8	0	0	111.3	M366 Q367	M363-M366 PolarHBondContact O-N 3.25Å; M363-Q367 WeakPolarHBondContact O-CG 3.38Å; M363-Q367 PolarHBondContact O-N 3Å; M363-Q367 HydrophobicContact SD-CG 3.58Å; M363-Q367 VanDerWaalsContact SD-CG 3.58Å; M363-Q367 PolarHBondContact SD-NE2 3.24Å
364	S	87	Confident	89	Confident	57 Å²	57	65 Å²	65	40%	0.399	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-35.5	176.5	56.8	0	0	0	0	113.1	S362 Q367 R368	S362-S364 PolarHBondContact O-N 3.36Å; S362-S364 PolarHBondContact OG-OG 3.35Å; S364-Q367 PolarHBondContact O-N 3Å; S364-R368 WeakPolarHBondContact O-CG 3.11Å; S364-R368 PolarHBondContact O-N 2.92Å; S364-R368 VanDerWaalsContact O-N 3.1Å
365	A	88.1	Confident	89	Confident	18 Å²	18	67.9 Å²	67.9	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-68.8	-40.7	174.1	0	0	0	0	0	111.6	E360 S362 Q367 R368 K369	E360-A365 HydrophobicContact CB-CB 3.56Å; E360-A365 HydrophobicContact CG-CB 3.94Å; S362-A365 PolarHBondContact O-N 3.46Å; S362-A365 VanDerWaalsContact O-N 3.11Å; S362-A365 WeakPolarHBondContact OG-CB 3.27Å; S362-A365 PolarHBondContact OG-N 3.13Å; S362-A365 VanDerWaalsContact OG-N 3.12Å; A365-Q367 VanDerWaalsContact C-N 3.34Å; A365-Q367 PolarHBondContact O-N 3.18Å; A365-R368 PolarHBondContact O-N 2.89Å; A365-K369 PolarHBondContact O-N 3.32Å; A365-K369 VanDerWaalsContact O-N 3.11Å
366	M	90.3	Very high	89.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-33.7	172.9	-74.1	-55	-80.2	0	0	113	E360 S362 M363 R368 K369 L370 W438 L439 E442 I443 L446	E360-M366 HydrophobicContact CB-CG 4Å; E360-M366 HydrophobicContact CB-SD 3.81Å; E360-M366 HydrophobicContact CG-SD 3.91Å; E360-M366 PolarHBondContact N-SD 3.19Å; E360-M366 VanDerWaalsContact N-SD 3.41Å; S362-M366 PolarHBondContact O-N 3.06Å; M363-M366 PolarHBondContact O-N 3.25Å; M366-R368 VanDerWaalsContact C-N 3.34Å; M366-K369 PolarHBondContact O-N 2.98Å; M366-K369 HydrophobicContact SD-CD 3.82Å; M366-L370 PolarHBondContact O-N 2.93Å; M366-W438 HydrophobicContact CE-CH2 3.83Å; M366-W438 HydrophobicContact CE-CZ2 4.25Å; M366-W438 HydrophobicContact CE-CZ3 4.23Å; M366-L439 HydrophobicContact CE-CD2 3.65Å; M366-E442 HydrophobicContact CE-CB 3.87Å; M366-E442 HydrophobicContact CE-CG 3.67Å; M366-I443 HydrophobicContact CB-CG1 3.92Å; M366-L446 HydrophobicContact CB-CD1 4.16Å; M366-L446 HydrophobicContact CG-CD1 3.55Å
367	Q	89.2	Confident	89.2	Confident	101 Å²	101	65.2 Å²	65.2	47%	0.472	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-38.6	171.7	-78.6	179.2	-21.9	0	0	112.4	M363 S364 A365 L370 E371	M363-Q367 WeakPolarHBondContact O-CG 3.38Å; M363-Q367 PolarHBondContact O-N 3Å; M363-Q367 HydrophobicContact SD-CG 3.58Å; M363-Q367 VanDerWaalsContact SD-CG 3.58Å; M363-Q367 PolarHBondContact SD-NE2 3.24Å; S364-Q367 PolarHBondContact O-N 3Å; A365-Q367 VanDerWaalsContact C-N 3.34Å; A365-Q367 PolarHBondContact O-N 3.18Å; Q367-L370 WeakPolarHBondContact O-CB 3.31Å; Q367-L370 PolarHBondContact O-N 3.45Å; Q367-E371 PolarHBondContact O-N 3.12Å
368	R	90.6	Very high	89.3	Confident	175 Å²	175	68.8 Å²	68.8	66%	0.66	34%	0.343	S	S	*	.	H	α-helix	trans	-63.1	-46	173.2	-69.6	-179.4	-155.5	155.7	3.9	111.5	S364 A365 M366 L370 E371 D372	S364-R368 WeakPolarHBondContact O-CG 3.11Å; S364-R368 PolarHBondContact O-N 2.92Å; S364-R368 VanDerWaalsContact O-N 3.1Å; A365-R368 PolarHBondContact O-N 2.89Å; M366-R368 VanDerWaalsContact C-N 3.34Å; R368-L370 PolarHBondContact O-N 2.95Å; R368-E371 CarbonylContact O-C 3.49Å; R368-E371 WeakPolarHBondContact O-CA 3.36Å; R368-E371 WeakPolarHBondContact O-CB 3.24Å; R368-E371 PolarHBondContact O-N 3.34Å; R368-D372 VanDerWaalsContact O-CG 3.3Å; R368-D372 PolarHBondContact O-N 3.39Å
369	K	91.6	Very high	89.5	Confident	31 Å²	31	69.8 Å²	69.8	14%	0.135	34%	0.344	C	S	.	.	H	α-helix	trans	-57.1	-36.2	173.5	-84.1	179.5	176.1	-89.6	0	112.9	E360 A365 M366 F373 L439	E360-K369 HydrophobicContact CG-CD 3.78Å; E360-K369 WeakPolarHBondContact OE1-CE 3.26Å; E360-K369 IonicContact OE1-NZ 2.89Å; A365-K369 PolarHBondContact O-N 3.32Å; A365-K369 VanDerWaalsContact O-N 3.11Å; M366-K369 PolarHBondContact O-N 2.98Å; M366-K369 HydrophobicContact SD-CD 3.82Å; K369-F373 PolarHBondContact O-N 3.05Å; K369-F373 VanDerWaalsContact O-N 3.08Å; K369-L439 HydrophobicContact CB-CD2 4.1Å
370	L	92.2	Very high	90	Very high	30 Å²	30	73.4 Å²	73.4	16%	0.157	35%	0.351	C	S	.	.	H	α-helix	trans	-67.5	-38.4	173.9	-177.2	67.8	0	0	0	111.8	M366 Q367 R368 F373 R374 L439 I443	M366-L370 PolarHBondContact O-N 2.93Å; Q367-L370 WeakPolarHBondContact O-CB 3.31Å; Q367-L370 PolarHBondContact O-N 3.45Å; R368-L370 PolarHBondContact O-N 2.95Å; L370-F373 PolarHBondContact O-N 2.97Å; L370-R374 WeakPolarHBondContact O-CG 3.23Å; L370-R374 PolarHBondContact O-N 3.47Å; L370-L439 HydrophobicContact CD1-CD1 4.39Å; L370-I443 HydrophobicContact CB-CD1 4.04Å; L370-I443 HydrophobicContact CD2-CD1 3.94Å; L370-I443 HydrophobicContact CG-CD1 4.4Å
371	E	91.7	Very high	90.4	Very high	67 Å²	67	71.1 Å²	71.1	31%	0.313	34%	0.34	S	S	.	.	H	α-helix	trans	-68.6	-42.7	176.1	-158	60.1	-150.2	0	0	111.5	Q367 R368 F373 R374 D375	Q367-E371 PolarHBondContact O-N 3.12Å; R368-E371 CarbonylContact O-C 3.49Å; R368-E371 WeakPolarHBondContact O-CA 3.36Å; R368-E371 WeakPolarHBondContact O-CB 3.24Å; R368-E371 PolarHBondContact O-N 3.34Å; E371-F373 PolarHBondContact O-N 2.7Å; E371-R374 CarbonylContact O-C 3.59Å; E371-R374 WeakPolarHBondContact O-CA 3.32Å; E371-R374 WeakPolarHBondContact O-CB 3.49Å; E371-R374 PolarHBondContact O-N 3.02Å; E371-R374 VanDerWaalsContact OE2-CD 3.22Å; E371-R374 WeakPolarHBondContact OE2-CD 3.42Å; E371-R374 IonicContact OE2-CZ 2.78Å; E371-R374 IonicContact OE2-NE 3.69Å; E371-R374 IonicContact OE2-NH1 2.73Å; E371-R374 PolarHBondContact OE2-NH1 2.98Å; E371-D375 PolarHBondContact O-N 3.47Å
372	D	93.2	Very high	91.3	Very high	85 Å²	85	68.3 Å²	68.3	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-56.3	-39.6	172.2	-60.4	-25.8	0	0	0	111.1	W353 R368 D375 Y376	W353-D372 HydrophobicContact CZ2-CB 4.41Å; R368-D372 VanDerWaalsContact O-CG 3.3Å; R368-D372 PolarHBondContact O-N 3.39Å; D372-D375 PolarHBondContact O-N 2.96Å; D372-Y376 WeakPolarHBondContact O-CB 3.46Å; D372-Y376 PolarHBondContact O-N 3.32Å
373	F	94.8	Very high	91.9	Very high	6 Å²	6	68.8 Å²	68.8	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-69	-35.1	174.8	-173.9	-116.2	0	0	0	113.2	W353 L354 K369 L370 E371 Y376 R377 Y435 E436 L439	W353-F373 HydrophobicContact CH2-CD2 4.29Å; L354-F373 HydrophobicContact CD2-CD2 4.01Å; L354-F373 HydrophobicContact CD2-CE2 3.77Å; K369-F373 PolarHBondContact O-N 3.05Å; K369-F373 VanDerWaalsContact O-N 3.08Å; L370-F373 PolarHBondContact O-N 2.97Å; E371-F373 PolarHBondContact O-N 2.7Å; F373-Y376 HydrophobicContact CD2-CD1 4.03Å; F373-Y376 HydrophobicContact CE2-CD1 4.02Å; F373-Y376 HydrophobicContact CE2-CE1 4.34Å; F373-Y376 WeakPolarHBondContact O-CB 3.46Å; F373-R377 HydrophobicContact CE1-CG 4.4Å; F373-R377 HydrophobicContact CE2-CG 4.41Å; F373-R377 HydrophobicContact CZ-CG 4.24Å; F373-R377 WeakPolarHBondContact O-CG 3.25Å; F373-R377 PolarHBondContact O-N 3.2Å; F373-Y435 HydrophobicContact CB-CE1 4.06Å; F373-Y435 AromaticContact CD2-CD1 3.56Å; F373-Y435 HydrophobicContact CD2-CD1 3.56Å; F373-Y435 AromaticContact CD2-CE1 3.7Å; F373-Y435 HydrophobicContact CD2-CE1 3.7Å; F373-Y435 AromaticContact CE2-CD1 3.76Å; F373-Y435 HydrophobicContact CE2-CD1 3.76Å; F373-Y435 HydrophobicContact CE2-CE1 4.37Å; F373-Y435 HydrophobicContact CG-CD1 4.06Å; F373-Y435 AromaticContact CG-CE1 3.97Å; F373-Y435 HydrophobicContact CG-CE1 3.97Å; F373-Y435 HydrophobicContact CZ-CD1 4.39Å; F373-E436 HydrophobicContact CE1-CB 3.89Å; F373-E436 HydrophobicContact CE1-CG 4.16Å; F373-E436 HydrophobicContact CZ-CB 4.11Å; F373-L439 HydrophobicContact CB-CD1 4.07Å; F373-L439 HydrophobicContact CD1-CD1 4.27Å; F373-L439 HydrophobicContact CG-CD1 4.17Å
374	R	93.7	Very high	92.2	Very high	107 Å²	107	69.2 Å²	69.2	40%	0.404	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-43.3	173.1	-74.3	165.8	171.3	176.5	0.2	111.2	L370 E371 Y376 R377 R378	L370-R374 WeakPolarHBondContact O-CG 3.23Å; L370-R374 PolarHBondContact O-N 3.47Å; E371-R374 CarbonylContact O-C 3.59Å; E371-R374 WeakPolarHBondContact O-CA 3.32Å; E371-R374 WeakPolarHBondContact O-CB 3.49Å; E371-R374 PolarHBondContact O-N 3.02Å; E371-R374 VanDerWaalsContact OE2-CD 3.22Å; E371-R374 WeakPolarHBondContact OE2-CD 3.42Å; E371-R374 IonicContact OE2-CZ 2.78Å; E371-R374 IonicContact OE2-NE 3.69Å; E371-R374 IonicContact OE2-NH1 2.73Å; E371-R374 PolarHBondContact OE2-NH1 2.98Å; R374-Y376 VanDerWaalsContact C-N 3.35Å; R374-R377 PolarHBondContact O-N 3.43Å; R374-R377 VanDerWaalsContact O-N 3.16Å; R374-R378 VanDerWaalsContact O-CB 3.28Å; R374-R378 WeakPolarHBondContact O-CB 3.33Å; R374-R378 VanDerWaalsContact O-CG 3.27Å; R374-R378 WeakPolarHBondContact O-CG 3.41Å; R374-R378 PolarHBondContact O-N 3.31Å
375	D	93.7	Very high	92.6	Very high	60 Å²	60	70.6 Å²	70.6	32%	0.321	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-43	176.3	-76.2	-13	0	0	0	111	E371 D372 R377 R378 L379 H380	E371-D375 PolarHBondContact O-N 3.47Å; D372-D375 PolarHBondContact O-N 2.96Å; D375-R377 VanDerWaalsContact C-N 3.35Å; D375-R377 PolarHBondContact O-N 2.96Å; D375-R378 PolarHBondContact O-N 3Å; D375-L379 WeakPolarHBondContact O-CB 3.04Å; D375-L379 PolarHBondContact O-N 2.85Å; D375-H380 PolarHBondContact O-N 3.32Å
376	Y	95.3	Very high	92.8	Very high	12 Å²	12	76.4 Å²	76.4	5%	0.047	35%	0.348	C	S	.	.	I	π-helix	trans	-52	-50.7	169.1	167.2	-100.9	0	0	0	112	W346 T350 W353 D372 F373 R374 H380 K381 E432	W346-Y376 HydrophobicContact CH2-CE2 4.03Å; W346-Y376 AromaticContact CZ2-CE2 3.66Å; W346-Y376 HydrophobicContact CZ2-CE2 3.66Å; T350-Y376 HydrophobicContact CG2-CD2 4.47Å; T350-Y376 HydrophobicContact CG2-CE2 3.57Å; W353-Y376 HydrophobicContact CH2-CG 4.2Å; W353-Y376 HydrophobicContact CZ3-CD1 4.21Å; W353-Y376 HydrophobicContact CZ3-CD2 4.02Å; W353-Y376 AromaticContact CZ3-CG 3.83Å; W353-Y376 HydrophobicContact CZ3-CG 3.83Å; D372-Y376 WeakPolarHBondContact O-CB 3.46Å; D372-Y376 PolarHBondContact O-N 3.32Å; F373-Y376 HydrophobicContact CD2-CD1 4.03Å; F373-Y376 HydrophobicContact CE2-CD1 4.02Å; F373-Y376 HydrophobicContact CE2-CE1 4.34Å; F373-Y376 WeakPolarHBondContact O-CB 3.46Å; R374-Y376 VanDerWaalsContact C-N 3.35Å; Y376-H380 HydrophobicContact CD2-CB 4.35Å; Y376-H380 PolarHBondContact O-N 2.75Å; Y376-K381 HydrophobicContact CE1-CB 4.43Å; Y376-K381 HydrophobicContact CE1-CD 4.31Å; Y376-K381 HydrophobicContact CE2-CB 4.49Å; Y376-K381 WeakPolarHBondContact O-CB 3.44Å; Y376-K381 PolarHBondContact O-N 3.46Å; Y376-E432 HydrophobicContact CE1-CG 4.2Å; Y376-E432 VanDerWaalsContact CE1-OE1 3.31Å; Y376-E432 WeakPolarHBondContact CE1-OE1 3.25Å; Y376-E432 PolarHBondContact OH-OE1 2.91Å
377	R	94.4	Very high	92.9	Very high	116 Å²	116	78.6 Å²	78.6	44%	0.438	36%	0.359	S	S	.	.	I	π-helix	trans	-72.6	-29.5	-178.3	-72.2	-172.7	69.5	164.8	5.6	114.3	F373 R374 D375 P382 E436	F373-R377 HydrophobicContact CE1-CG 4.4Å; F373-R377 HydrophobicContact CE2-CG 4.41Å; F373-R377 HydrophobicContact CZ-CG 4.24Å; F373-R377 WeakPolarHBondContact O-CG 3.25Å; F373-R377 PolarHBondContact O-N 3.2Å; R374-R377 PolarHBondContact O-N 3.43Å; R374-R377 VanDerWaalsContact O-N 3.16Å; D375-R377 VanDerWaalsContact C-N 3.35Å; D375-R377 PolarHBondContact O-N 2.96Å; R377-P382 WeakPolarHBondContact O-CD 3.32Å; R377-P382 WeakPolarHBondContact O-CG 3.46Å; R377-E436 IonicContact NH1-OE1 3.11Å; R377-E436 PolarHBondContact NH1-OE1 3.21Å; R377-E436 IonicContact NH1-OE2 3.45Å; R377-E436 PolarHBondContact NH1-OE2 3.43Å
378	R	91.4	Very high	93.1	Very high	163 Å²	163	75.8 Å²	75.8	62%	0.615	35%	0.345	S	S	*	.	I	π-helix	trans	-90.7	-35.7	-175.1	-73.9	175.5	175.7	170.9	-1.1	113.5	R374 D375 P382	R374-R378 VanDerWaalsContact O-CB 3.28Å; R374-R378 WeakPolarHBondContact O-CB 3.33Å; R374-R378 VanDerWaalsContact O-CG 3.27Å; R374-R378 WeakPolarHBondContact O-CG 3.41Å; R374-R378 PolarHBondContact O-N 3.31Å; D375-R378 PolarHBondContact O-N 3Å; R378-P382 WeakPolarHBondContact O-CG 3.43Å
379	L	91.6	Very high	93.2	Very high	111 Å²	111	70.6 Å²	70.6	58%	0.581	34%	0.335	S	S	*	.	I	π-helix	trans	-114	-48.1	-170.9	-59.2	175	0	0	0	111.7	D375 P383	D375-L379 WeakPolarHBondContact O-CB 3.04Å; D375-L379 PolarHBondContact O-N 2.85Å; L379-P383 VanDerWaalsContact O-CD 3.22Å; L379-P383 WeakPolarHBondContact O-CD 3.35Å
380	H	91.9	Very high	93.2	Very high	113 Å²	113	73 Å²	73	52%	0.523	35%	0.347	S	S	.	.	I	π-helix	trans	-86.8	-40.1	-169	-61.8	-67.7	0	0	0	114.2	D375 Y376 P383	D375-H380 PolarHBondContact O-N 3.32Å; Y376-H380 HydrophobicContact CD2-CB 4.35Å; Y376-H380 PolarHBondContact O-N 2.75Å; H380-P383 WeakPolarHBondContact O-CD 3.41Å; H380-P383 WeakPolarHBondContact O-CG 3.25Å
381	K	93.5	Very high	93.2	Very high	23 Å²	23	71.7 Å²	71.7	10%	0.1	34%	0.339	C	S	.	.	H	α-helix	trans	-72.9	-42.4	-179.5	-173.6	179.3	-175.8	176.7	0	114.5	W346 Y376 R384 I385 E432	W346-K381 HydrophobicContact CH2-CG 4.48Å; Y376-K381 HydrophobicContact CE1-CB 4.43Å; Y376-K381 HydrophobicContact CE1-CD 4.31Å; Y376-K381 HydrophobicContact CE2-CB 4.49Å; Y376-K381 WeakPolarHBondContact O-CB 3.44Å; Y376-K381 PolarHBondContact O-N 3.46Å; K381-R384 WeakPolarHBondContact O-CB 3.28Å; K381-R384 PolarHBondContact O-N 3.36Å; K381-I385 HydrophobicContact CG-CD1 4.16Å; K381-I385 HydrophobicContact CG-CG1 4.34Å; K381-I385 PolarHBondContact O-N 2.9Å; K381-I385 VanDerWaalsContact O-N 3.16Å; K381-E432 VanDerWaalsContact CD-OE1 3.31Å; K381-E432 WeakPolarHBondContact CD-OE1 3.11Å; K381-E432 VanDerWaalsContact CE-OE1 3.28Å; K381-E432 WeakPolarHBondContact CE-OE1 3.31Å; K381-E432 IonicContact NZ-OE1 2.74Å; K381-E432 PolarHBondContact NZ-OE1 2.67Å; K381-E432 IonicContact NZ-OE2 2.67Å; K381-E432 PolarHBondContact NZ-OE2 3.12Å
382	P	94.5	Very high	93.3	Very high	55 Å²	55	71.7 Å²	71.7	36%	0.357	34%	0.339	S	S	.	.	H	α-helix	trans	-53.5	-45.6	-176.8	-28.7	38.2	0	0	0	116	R377 R378 R384 I385 Q386	R377-P382 WeakPolarHBondContact O-CD 3.32Å; R377-P382 WeakPolarHBondContact O-CG 3.46Å; R378-P382 WeakPolarHBondContact O-CG 3.43Å; P382-R384 VanDerWaalsContact C-N 3.26Å; P382-R384 PolarHBondContact O-N 2.97Å; P382-I385 WeakPolarHBondContact O-CB 3.21Å; P382-I385 PolarHBondContact O-N 3.03Å; P382-Q386 PolarHBondContact O-N 2.92Å
383	P	93.8	Very high	93.1	Very high	56 Å²	56	71.3 Å²	71.3	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-32.6	177	24.2	-33.8	0	0	0	112.5	L379 H380 I385 Q386 E387	L379-P383 VanDerWaalsContact O-CD 3.22Å; L379-P383 WeakPolarHBondContact O-CD 3.35Å; H380-P383 WeakPolarHBondContact O-CD 3.41Å; H380-P383 WeakPolarHBondContact O-CG 3.25Å; P383-I385 PolarHBondContact O-N 2.85Å; P383-Q386 WeakPolarHBondContact O-CB 3.42Å; P383-Q386 PolarHBondContact O-N 2.99Å; P383-Q386 VanDerWaalsContact O-N 3.15Å; P383-E387 WeakPolarHBondContact O-CG 3.41Å; P383-E387 PolarHBondContact O-N 3.08Å
384	R	94.4	Very high	92.9	Very high	67 Å²	67	71.7 Å²	71.7	25%	0.253	34%	0.339	S	S	.	.	H	α-helix	trans	-69.4	-31.6	177.8	-54.9	-55.2	-179	-173.4	-3.9	113	L343 W346 K381 P382 Q386 E387 K388 W425	L343-R384 HydrophobicContact CD1-CB 4.08Å; W346-R384 HydrophobicContact CD2-CG 3.84Å; W346-R384 HydrophobicContact CE3-CB 4.2Å; W346-R384 HydrophobicContact CE3-CG 3.97Å; W346-R384 HydrophobicContact CG-CG 4.48Å; W346-R384 HydrophobicContact CH2-CB 4.15Å; W346-R384 HydrophobicContact CH2-CG 4.01Å; W346-R384 HydrophobicContact CZ2-CB 4.49Å; W346-R384 HydrophobicContact CZ2-CG 3.85Å; W346-R384 HydrophobicContact CZ3-CB 3.99Å; W346-R384 HydrophobicContact CZ3-CG 4.06Å; K381-R384 WeakPolarHBondContact O-CB 3.28Å; K381-R384 PolarHBondContact O-N 3.36Å; P382-R384 VanDerWaalsContact C-N 3.26Å; P382-R384 PolarHBondContact O-N 2.97Å; R384-Q386 VanDerWaalsContact C-N 3.31Å; R384-E387 WeakPolarHBondContact CD-OE2 3.33Å; R384-E387 IonicContact CZ-OE1 3.03Å; R384-E387 IonicContact CZ-OE2 3.27Å; R384-E387 IonicContact NE-OE2 2.75Å; R384-E387 IonicContact NH1-OE1 3.81Å; R384-E387 PolarHBondContact NH1-OE1 3.28Å; R384-E387 IonicContact NH1-OE2 2.96Å; R384-E387 PolarHBondContact NH1-OE2 3.39Å; R384-E387 PolarHBondContact O-N 2.88Å; R384-K388 PolarHBondContact O-N 3.13Å; R384-W425 HydrophobicContact CB-CH2 4.12Å; R384-W425 HydrophobicContact CB-CZ3 4.2Å
385	I	94.3	Very high	92.9	Very high	86 Å²	86	68.6 Å²	68.6	44%	0.441	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-42.6	170.5	-65.4	167.4	0	0	0	110	K381 P382 P383 K388 C389 W425	K381-I385 HydrophobicContact CG-CD1 4.16Å; K381-I385 HydrophobicContact CG-CG1 4.34Å; K381-I385 PolarHBondContact O-N 2.9Å; K381-I385 VanDerWaalsContact O-N 3.16Å; P382-I385 WeakPolarHBondContact O-CB 3.21Å; P382-I385 PolarHBondContact O-N 3.03Å; P383-I385 PolarHBondContact O-N 2.85Å; I385-K388 PolarHBondContact O-N 3.17Å; I385-C389 PolarHBondContact O-N 3Å; I385-C389 VanDerWaalsContact O-N 3.07Å; I385-W425 HydrophobicContact CG1-CH2 3.8Å; I385-W425 HydrophobicContact CG1-CZ2 3.53Å
386	Q	92.8	Very high	92.7	Very high	140 Å²	140	70.4 Å²	70.4	65%	0.654	34%	0.338	S	S	*	.	H	α-helix	trans	-66.4	-41.8	178.1	-170.4	170.9	2.8	0	0	111.7	P382 P383 R384 C389 Q390	P382-Q386 PolarHBondContact O-N 2.92Å; P383-Q386 WeakPolarHBondContact O-CB 3.42Å; P383-Q386 PolarHBondContact O-N 2.99Å; P383-Q386 VanDerWaalsContact O-N 3.15Å; R384-Q386 VanDerWaalsContact C-N 3.31Å; Q386-C389 WeakPolarHBondContact O-CB 3.4Å; Q386-C389 PolarHBondContact O-N 3.23Å; Q386-Q390 WeakPolarHBondContact O-CB 3.5Å; Q386-Q390 PolarHBondContact O-N 3.35Å
387	E	92.5	Very high	92.4	Very high	47 Å²	47	72.7 Å²	72.7	22%	0.22	35%	0.354	C	S	.	.	H	α-helix	trans	-60.7	-43.4	174.2	-72.3	169.1	-173.6	0	0	112.3	P383 R384 C389 Q390 L391	P383-E387 WeakPolarHBondContact O-CG 3.41Å; P383-E387 PolarHBondContact O-N 3.08Å; R384-E387 WeakPolarHBondContact CD-OE2 3.33Å; R384-E387 IonicContact CZ-OE1 3.03Å; R384-E387 IonicContact CZ-OE2 3.27Å; R384-E387 IonicContact NE-OE2 2.75Å; R384-E387 IonicContact NH1-OE1 3.81Å; R384-E387 PolarHBondContact NH1-OE1 3.28Å; R384-E387 IonicContact NH1-OE2 2.96Å; R384-E387 PolarHBondContact NH1-OE2 3.39Å; R384-E387 PolarHBondContact O-N 2.88Å; E387-C389 PolarHBondContact O-N 3.4Å; E387-Q390 PolarHBondContact O-N 3.27Å; E387-L391 VanDerWaalsContact O-CB 3.32Å; E387-L391 WeakPolarHBondContact O-CB 3.45Å; E387-L391 PolarHBondContact O-N 3.02Å
388	K	93.1	Very high	92.3	Very high	42 Å²	42	67.2 Å²	67.2	18%	0.183	33%	0.333	C	S	.	.	H	α-helix	trans	-57.7	-47.1	173.6	-178.4	-167.7	173.1	-175.1	0	111.6	L343 R384 I385 L391 E392 W425	L343-K388 HydrophobicContact CD2-CB 3.85Å; L343-K388 HydrophobicContact CD2-CG 4.32Å; R384-K388 PolarHBondContact O-N 3.13Å; I385-K388 PolarHBondContact O-N 3.17Å; K388-L391 PolarHBondContact O-N 3.3Å; K388-E392 PolarHBondContact O-N 2.97Å; K388-W425 HydrophobicContact CD-CD2 3.78Å; K388-W425 HydrophobicContact CD-CE3 4.14Å; K388-W425 HydrophobicContact CD-CG 3.91Å; K388-W425 VanDerWaalsContact NZ-CD1 3.27Å
389	C	92.5	Very high	92.2	Very high	65 Å²	65	62.2 Å²	62.2	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-62.4	-45.6	177.6	-175.6	0	0	0	0	111.3	I385 Q386 E387 L391 E392 I393	I385-C389 PolarHBondContact O-N 3Å; I385-C389 VanDerWaalsContact O-N 3.07Å; Q386-C389 WeakPolarHBondContact O-CB 3.4Å; Q386-C389 PolarHBondContact O-N 3.23Å; E387-C389 PolarHBondContact O-N 3.4Å; C389-L391 VanDerWaalsContact C-N 3.3Å; C389-L391 PolarHBondContact O-N 2.76Å; C389-E392 PolarHBondContact O-N 3.38Å; C389-I393 WeakPolarHBondContact O-CG1 2.98Å; C389-I393 PolarHBondContact O-N 3.16Å
390	Q	91.8	Very high	91.9	Very high	83 Å²	83	59.5 Å²	59.5	39%	0.388	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-38.6	178.7	-171.8	60.4	50.3	0	0	112.1	Q386 E387 I393 N394	Q386-Q390 WeakPolarHBondContact O-CB 3.5Å; Q386-Q390 PolarHBondContact O-N 3.35Å; E387-Q390 PolarHBondContact O-N 3.27Å; Q390-I393 PolarHBondContact O-N 3.14Å; Q390-N394 PolarHBondContact NE2-OD1 2.99Å; Q390-N394 WeakPolarHBondContact O-CB 3.44Å; Q390-N394 VanDerWaalsContact O-CG 3.25Å; Q390-N394 PolarHBondContact O-N 3.14Å; Q390-N394 PolarHBondContact O-OD1 3.46Å
391	L	93.5	Very high	91.6	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-44.6	175.9	-179.4	153.3	0	0	0	111.9	Y336 L339 A340 E387 K388 C389 N394 F395 V418 I421	Y336-L391 HydrophobicContact CD2-CD2 4.04Å; Y336-L391 HydrophobicContact CD2-CG 3.82Å; Y336-L391 HydrophobicContact CE2-CD1 4.46Å; Y336-L391 HydrophobicContact CE2-CD2 3.32Å; Y336-L391 HydrophobicContact CE2-CG 3.63Å; L339-L391 HydrophobicContact CB-CD1 4.07Å; A340-L391 VanDerWaalsContact CA-CD1 3.41Å; A340-L391 HydrophobicContact CB-CD1 3.75Å; E387-L391 VanDerWaalsContact O-CB 3.32Å; E387-L391 WeakPolarHBondContact O-CB 3.45Å; E387-L391 PolarHBondContact O-N 3.02Å; K388-L391 PolarHBondContact O-N 3.3Å; C389-L391 VanDerWaalsContact C-N 3.3Å; C389-L391 PolarHBondContact O-N 2.76Å; L391-N394 PolarHBondContact O-N 2.92Å; L391-F395 WeakPolarHBondContact O-CB 3.41Å; L391-F395 PolarHBondContact O-N 3.46Å; L391-V418 HydrophobicContact CD2-CG2 4.46Å; L391-I421 HydrophobicContact CD1-CD1 3.72Å; L391-I421 HydrophobicContact CD2-CD1 3.67Å; L391-I421 HydrophobicContact CG-CD1 4.38Å
392	E	92.3	Very high	91.2	Very high	67 Å²	67	56.9 Å²	56.9	31%	0.313	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-40.2	174.9	-72.3	177.1	-169.2	0	0	111.8	K388 C389 F395 N396 V418	K388-E392 PolarHBondContact O-N 2.97Å; C389-E392 PolarHBondContact O-N 3.38Å; E392-F395 PolarHBondContact O-N 3.27Å; E392-N396 WeakPolarHBondContact O-CB 3.39Å; E392-N396 VanDerWaalsContact O-CG 3.28Å; E392-N396 PolarHBondContact O-N 2.85Å; E392-N396 PolarHBondContact O-ND2 2.85Å; E392-N396 VanDerWaalsContact O-ND2 3.13Å; E392-V418 HydrophobicContact CG-CG1 3.9Å
393	I	89.8	Confident	90.8	Very high	78 Å²	78	61.9 Å²	61.9	40%	0.4	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-47.6	175.2	-68.4	166.6	0	0	0	110.9	C389 Q390 F395 N396 T397	C389-I393 WeakPolarHBondContact O-CG1 2.98Å; C389-I393 PolarHBondContact O-N 3.16Å; Q390-I393 PolarHBondContact O-N 3.14Å; I393-F395 VanDerWaalsContact C-N 3.33Å; I393-F395 PolarHBondContact O-N 3.07Å; I393-N396 PolarHBondContact O-N 3.3Å; I393-T397 VanDerWaalsContact O-CB 3.28Å; I393-T397 WeakPolarHBondContact O-CB 3.45Å; I393-T397 PolarHBondContact O-N 3.38Å; I393-T397 PolarHBondContact O-OG1 3.33Å
394	N	90.5	Very high	90.2	Very high	14 Å²	14	65.3 Å²	65.3	8%	0.075	32%	0.318	C	S	.	.	H	α-helix	trans	-59.7	-45.5	179.5	-75	3.1	0	0	0	110.7	Q390 L391 T397 L398	Q390-N394 PolarHBondContact NE2-OD1 2.99Å; Q390-N394 WeakPolarHBondContact O-CB 3.44Å; Q390-N394 VanDerWaalsContact O-CG 3.25Å; Q390-N394 PolarHBondContact O-N 3.14Å; Q390-N394 PolarHBondContact O-OD1 3.46Å; L391-N394 PolarHBondContact O-N 2.92Å; N394-T397 PolarHBondContact O-N 3.2Å; N394-L398 VanDerWaalsContact O-CB 3.25Å; N394-L398 WeakPolarHBondContact O-CB 3.49Å; N394-L398 PolarHBondContact O-N 3.05Å
395	F	92.8	Very high	89.4	Confident	42 Å²	42	64.6 Å²	64.6	18%	0.184	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-50.9	177.1	-174.2	-99.8	0	0	0	112.4	Y336 L391 E392 I393 T397 L398 Q399 F410 P412 V418	Y336-F395 HydrophobicContact CD2-CB 3.87Å; Y336-F395 HydrophobicContact CD2-CD2 4.22Å; Y336-F395 HydrophobicContact CE2-CB 3.64Å; Y336-F395 AromaticContact CE2-CD2 3.75Å; Y336-F395 HydrophobicContact CE2-CD2 3.75Å; Y336-F395 HydrophobicContact CE2-CG 4.02Å; L391-F395 WeakPolarHBondContact O-CB 3.41Å; L391-F395 PolarHBondContact O-N 3.46Å; E392-F395 PolarHBondContact O-N 3.27Å; I393-F395 VanDerWaalsContact C-N 3.33Å; I393-F395 PolarHBondContact O-N 3.07Å; F395-T397 VanDerWaalsContact C-N 3.32Å; F395-T397 PolarHBondContact O-N 3.43Å; F395-L398 PolarHBondContact O-N 2.89Å; F395-Q399 VanDerWaalsContact O-CB 3.27Å; F395-Q399 WeakPolarHBondContact O-CB 3.41Å; F395-Q399 PolarHBondContact O-N 2.91Å; F395-F410 HydrophobicContact CD2-CD1 4.16Å; F395-F410 HydrophobicContact CD2-CE1 4.47Å; F395-F410 HydrophobicContact CE2-CD1 4.12Å; F395-P412 HydrophobicContact CD2-CG 4.43Å; F395-P412 HydrophobicContact CE2-CG 3.99Å; F395-V418 HydrophobicContact CB-CG2 4.14Å; F395-V418 HydrophobicContact CD1-CG2 3.76Å; F395-V418 HydrophobicContact CD2-CG2 4.09Å; F395-V418 HydrophobicContact CE1-CG2 4.17Å; F395-V418 HydrophobicContact CE2-CG2 4.48Å; F395-V418 HydrophobicContact CG-CG2 3.71Å
396	N	90.4	Very high	88.7	Confident	98 Å²	98	69.1 Å²	69.1	52%	0.524	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-38.8	-179	-73.6	-31.5	0	0	0	112.4	E392 I393 T400	E392-N396 WeakPolarHBondContact O-CB 3.39Å; E392-N396 VanDerWaalsContact O-CG 3.28Å; E392-N396 PolarHBondContact O-N 2.85Å; E392-N396 PolarHBondContact O-ND2 2.85Å; E392-N396 VanDerWaalsContact O-ND2 3.13Å; I393-N396 PolarHBondContact O-N 3.3Å; N396-T400 WeakPolarHBondContact O-CB 3.34Å; N396-T400 PolarHBondContact O-N 3.07Å; N396-T400 PolarHBondContact O-OG1 3.48Å
397	T	89.9	Confident	88	Confident	60 Å²	60	66.2 Å²	66.2	37%	0.368	33%	0.326	S	S	.	.	H	α-helix	trans	-65.4	-49.7	177.1	-58.5	0	0	0	0	110.7	I393 N394 F395 Q399 T400 K401	I393-T397 VanDerWaalsContact O-CB 3.28Å; I393-T397 WeakPolarHBondContact O-CB 3.45Å; I393-T397 PolarHBondContact O-N 3.38Å; I393-T397 PolarHBondContact O-OG1 3.33Å; N394-T397 PolarHBondContact O-N 3.2Å; F395-T397 VanDerWaalsContact C-N 3.32Å; F395-T397 PolarHBondContact O-N 3.43Å; T397-Q399 PolarHBondContact O-N 3.15Å; T397-T400 PolarHBondContact O-N 3.21Å; T397-K401 PolarHBondContact O-N 3.3Å
398	L	90.8	Very high	87.3	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-45.7	178.3	177.5	63	0	0	0	111.5	N329 L332 M333 N394 F395 T400 K401 L402 F410	N329-L398 HydrophobicContact CB-CD1 3.98Å; L332-L398 HydrophobicContact CB-CD1 4.1Å; L332-L398 HydrophobicContact CD1-CD1 4.47Å; M333-L398 HydrophobicContact CB-CD2 4.37Å; M333-L398 HydrophobicContact CG-CD1 4.34Å; M333-L398 HydrophobicContact CG-CD2 3.4Å; M333-L398 HydrophobicContact CG-CG 4.46Å; N394-L398 VanDerWaalsContact O-CB 3.25Å; N394-L398 WeakPolarHBondContact O-CB 3.49Å; N394-L398 PolarHBondContact O-N 3.05Å; F395-L398 PolarHBondContact O-N 2.89Å; L398-T400 VanDerWaalsContact C-N 3.27Å; L398-T400 PolarHBondContact O-N 3.45Å; L398-K401 PolarHBondContact O-N 3.36Å; L398-L402 HydrophobicContact CD1-CD1 3.97Å; L398-L402 HydrophobicContact CD1-CG 4.12Å; L398-L402 HydrophobicContact CG-CD1 3.94Å; L398-L402 HydrophobicContact CG-CG 4.47Å; L398-L402 WeakPolarHBondContact O-CG 3.48Å; L398-L402 PolarHBondContact O-N 3.08Å; L398-F410 HydrophobicContact CD2-CB 3.8Å; L398-F410 HydrophobicContact CD2-CD1 3.55Å; L398-F410 HydrophobicContact CD2-CD2 4.46Å; L398-F410 HydrophobicContact CD2-CE1 4.2Å; L398-F410 HydrophobicContact CD2-CG 3.69Å; L398-F410 HydrophobicContact CG-CB 4.3Å
399	Q	89.1	Confident	86.8	Confident	57 Å²	57	70.7 Å²	70.7	27%	0.266	37%	0.368	S	S	.	.	H	α-helix	trans	-60.1	-38.6	178	-165.3	67.4	4.7	0	0	111.9	F395 T397 R403	F395-Q399 VanDerWaalsContact O-CB 3.27Å; F395-Q399 WeakPolarHBondContact O-CB 3.41Å; F395-Q399 PolarHBondContact O-N 2.91Å; T397-Q399 PolarHBondContact O-N 3.15Å; Q399-R403 WeakPolarHBondContact O-CB 3.06Å; Q399-R403 PolarHBondContact O-N 2.88Å; Q399-R403 VanDerWaalsContact O-N 3.13Å
400	T	85.6	Confident	86.5	Confident	55 Å²	55	69 Å²	69	34%	0.337	35%	0.354	S	S	.	.	H	α-helix	trans	-69.4	-44.7	175.2	-60.8	0	0	0	0	111.8	N396 T397 L398 L402 R403 L404	N396-T400 WeakPolarHBondContact O-CB 3.34Å; N396-T400 PolarHBondContact O-N 3.07Å; N396-T400 PolarHBondContact O-OG1 3.48Å; T397-T400 PolarHBondContact O-N 3.21Å; L398-T400 VanDerWaalsContact C-N 3.27Å; L398-T400 PolarHBondContact O-N 3.45Å; T400-L402 PolarHBondContact O-N 2.66Å; T400-R403 PolarHBondContact O-N 3.23Å; T400-L404 HydrophobicContact CG2-CD1 4Å; T400-L404 HydrophobicContact CG2-CG 4.39Å; T400-L404 WeakPolarHBondContact O-CG 3.49Å; T400-L404 PolarHBondContact O-N 2.88Å
401	K	85.8	Confident	86.3	Confident	70 Å²	70	72.6 Å²	72.6	30%	0.304	37%	0.372	S	S	.	.	H	α-helix	trans	-58.5	-44.7	176.7	-80.7	-167.2	172	-168.9	0	111.9	E328 L332 T397 L398 S405	E328-K401 IonicContact OE2-NZ 3.96Å; E328-K401 PolarHBondContact OE2-NZ 2.75Å; L332-K401 HydrophobicContact CD1-CD 4.13Å; T397-K401 PolarHBondContact O-N 3.3Å; L398-K401 PolarHBondContact O-N 3.36Å; K401-S405 WeakPolarHBondContact O-CB 3.38Å; K401-S405 PolarHBondContact O-N 3.21Å; K401-S405 PolarHBondContact O-OG 3.43Å
402	L	86.1	Confident	86.1	Confident	11 Å²	11	73 Å²	73	6%	0.058	38%	0.376	C	S	.	.	H	α-helix	trans	-66.3	-43.1	179	-68.5	170.3	0	0	0	111.8	N329 L398 T400 S405 H406 R407 F410	N329-L402 HydrophobicContact CB-CD2 4.47Å; L398-L402 HydrophobicContact CD1-CD1 3.97Å; L398-L402 HydrophobicContact CD1-CG 4.12Å; L398-L402 HydrophobicContact CG-CD1 3.94Å; L398-L402 HydrophobicContact CG-CG 4.47Å; L398-L402 WeakPolarHBondContact O-CG 3.48Å; L398-L402 PolarHBondContact O-N 3.08Å; T400-L402 PolarHBondContact O-N 2.66Å; L402-S405 CarbonylContact O-C 3.59Å; L402-S405 PolarHBondContact O-N 3.46Å; L402-H406 PolarHBondContact O-N 3.11Å; L402-R407 HydrophobicContact CB-CB 4.47Å; L402-R407 HydrophobicContact CD2-CB 3.93Å; L402-R407 PolarHBondContact O-N 2.79Å; L402-F410 HydrophobicContact CD1-CB 3.7Å
403	R	86.3	Confident	85.9	Confident	160 Å²	160	72.8 Å²	72.8	60%	0.604	38%	0.381	S	S	*	.	H	α-helix	trans	-61.6	-47.8	176.8	-176.8	178.5	65	-135.6	-5.1	112.6	Q399 T400 S405 H406	Q399-R403 WeakPolarHBondContact O-CB 3.06Å; Q399-R403 PolarHBondContact O-N 2.88Å; Q399-R403 VanDerWaalsContact O-N 3.13Å; T400-R403 PolarHBondContact O-N 3.23Å; R403-S405 PolarHBondContact O-N 3.48Å; R403-H406 PolarHBondContact O-N 3.32Å; R403-H406 VanDerWaalsContact O-N 3.14Å
404	L	80.7	Confident	85.6	Confident	127 Å²	127	78.6 Å²	78.6	67%	0.665	41%	0.406	S	S	*	.	H	α-helix	trans	-63.4	-27.5	178.7	-71.3	174.4	0	0	0	112.4	T400 H406	T400-L404 HydrophobicContact CG2-CD1 4Å; T400-L404 HydrophobicContact CG2-CG 4.39Å; T400-L404 WeakPolarHBondContact O-CG 3.49Å; T400-L404 PolarHBondContact O-N 2.88Å; L404-H406 VanDerWaalsContact C-N 3.34Å
405	S	78.3	Confident	85.3	Confident	52 Å²	52	79.8 Å²	79.8	36%	0.364	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.3	178.7	-51.3	0	0	0	0	113.5	K401 L402 R403 R407	K401-S405 WeakPolarHBondContact O-CB 3.38Å; K401-S405 PolarHBondContact O-N 3.21Å; K401-S405 PolarHBondContact O-OG 3.43Å; L402-S405 CarbonylContact O-C 3.59Å; L402-S405 PolarHBondContact O-N 3.46Å; R403-S405 PolarHBondContact O-N 3.48Å; S405-R407 PolarHBondContact O-N 3.02Å
406	H	77.7	Confident	85.3	Confident	182 Å²	182	79.8 Å²	79.8	84%	0.843	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	35	-173.3	-60.4	-71.5	0	0	0	114.1	L402 R403 L404	L402-H406 PolarHBondContact O-N 3.11Å; R403-H406 PolarHBondContact O-N 3.32Å; R403-H406 VanDerWaalsContact O-N 3.14Å; L404-H406 VanDerWaalsContact C-N 3.34Å
407	R	79.4	Confident	85.3	Confident	79 Å²	79	78.2 Å²	78.2	30%	0.298	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-99.9	156.9	176.4	-66	-168.7	-177.1	-146.3	2.9	111.4	N326 L402 S405	N326-R407 PolarHBondContact OD1-NH1 3.38Å; L402-R407 HydrophobicContact CB-CB 4.47Å; L402-R407 HydrophobicContact CD2-CB 3.93Å; L402-R407 PolarHBondContact O-N 2.79Å; S405-R407 PolarHBondContact O-N 3.02Å
408	P	76.6	Confident	85.4	Confident	117 Å²	117	77 Å²	77	76%	0.76	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-55.4	147.1	174.5	-24.3	34.3	0	0	0	112.3
409	A	82.3	Confident	85.4	Confident	65 Å²	65	80 Å²	80	54%	0.537	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-62.6	144.5	174.9	0	0	0	0	0	111.4
410	F	87.9	Confident	85.6	Confident	31 Å²	31	79.8 Å²	79.8	14%	0.136	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-74.3	129.1	171.2	171.4	-119.3	0	0	0	109.6	M333 Y336 F395 L398 L402 P412	M333-F410 HydrophobicContact CB-CD2 4.29Å; M333-F410 HydrophobicContact CB-CE2 3.91Å; M333-F410 HydrophobicContact CB-CZ 4.22Å; M333-F410 HydrophobicContact CG-CD1 4.45Å; M333-F410 HydrophobicContact CG-CD2 3.48Å; M333-F410 VanDerWaalsContact CG-CD2 3.48Å; M333-F410 HydrophobicContact CG-CE2 3.63Å; M333-F410 HydrophobicContact CG-CG 3.92Å; M333-F410 HydrophobicContact CG-CZ 4.17Å; M333-F410 HydrophobicContact SD-CB 4.41Å; M333-F410 HydrophobicContact SD-CD2 3.35Å; M333-F410 WeakPolarHBondContact SD-CD2 3.15Å; M333-F410 HydrophobicContact SD-CE2 3.83Å; M333-F410 HydrophobicContact SD-CG 4.09Å; Y336-F410 AromaticContact CD1-CE1 3.63Å; Y336-F410 HydrophobicContact CD1-CE1 3.63Å; Y336-F410 HydrophobicContact CD1-CZ 4.04Å; Y336-F410 HydrophobicContact CE1-CE1 4.14Å; Y336-F410 HydrophobicContact CG-CE1 4.03Å; F395-F410 HydrophobicContact CD2-CD1 4.16Å; F395-F410 HydrophobicContact CD2-CE1 4.47Å; F395-F410 HydrophobicContact CE2-CD1 4.12Å; L398-F410 HydrophobicContact CD2-CB 3.8Å; L398-F410 HydrophobicContact CD2-CD1 3.55Å; L398-F410 HydrophobicContact CD2-CD2 4.46Å; L398-F410 HydrophobicContact CD2-CE1 4.2Å; L398-F410 HydrophobicContact CD2-CG 3.69Å; L398-F410 HydrophobicContact CG-CB 4.3Å; L402-F410 HydrophobicContact CD1-CB 3.7Å; F410-P412 HydrophobicContact CD1-CG 4.29Å; F410-P412 HydrophobicContact CE1-CB 4.43Å; F410-P412 HydrophobicContact CE1-CG 3.77Å; F410-P412 HydrophobicContact CZ-CB 4.44Å; F410-P412 HydrophobicContact CZ-CG 4.24Å
411	M	87.2	Confident	86	Confident	157 Å²	157	77.3 Å²	77.3	77%	0.773	41%	0.412	S	S	*	.			trans	-116.6	114.1	173	-167	102.7	107.3	0	0	108.2
412	P	89.6	Confident	86.3	Confident	11 Å²	11	75.3 Å²	75.3	7%	0.071	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-60.1	160.9	173.9	-25.1	34.4	0	0	0	113.3	Y336 F395 F410 K416 L417	Y336-P412 HydrophobicContact CD1-CB 4.44Å; Y336-P412 HydrophobicContact CD1-CG 4.22Å; Y336-P412 HydrophobicContact CE1-CB 3.65Å; Y336-P412 HydrophobicContact CE1-CG 3.39Å; F395-P412 HydrophobicContact CD2-CG 4.43Å; F395-P412 HydrophobicContact CE2-CG 3.99Å; F410-P412 HydrophobicContact CD1-CG 4.29Å; F410-P412 HydrophobicContact CE1-CB 4.43Å; F410-P412 HydrophobicContact CE1-CG 3.77Å; F410-P412 HydrophobicContact CZ-CB 4.44Å; F410-P412 HydrophobicContact CZ-CG 4.24Å; P412-K416 HydrophobicContact CB-CB 4.37Å; P412-L417 HydrophobicContact CB-CD2 4.49Å; P412-L417 HydrophobicContact CG-CD2 4.33Å
413	S	87.9	Confident	86.7	Confident	62 Å²	62	78.9 Å²	78.9	43%	0.434	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-56.9	153.7	170.4	-53.5	0	0	0	0	112	E337 G415 K416	E337-S413 WeakPolarHBondContact OE1-CB 3.44Å; E337-S413 PolarHBondContact OE1-OG 2.58Å; S413-G415 PolarHBondContact O-N 2.57Å; S413-K416 WeakPolarHBondContact O-CB 3.28Å; S413-K416 PolarHBondContact O-N 2.96Å
414	E	82.2	Confident	87	Confident	199 Å²	199	72.8 Å²	72.8	93%	0.93	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	134	-178.2	-166.4	177.3	-179.2	0	0	112.2	K416	E414-K416 PolarHBondContact O-N 3.23Å
415	G	85.4	Confident	87.8	Confident	40 Å²	40	67.1 Å²	67.1	41%	0.412	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	1.2	-177.7	0	0	0	0	0	115.4	S413 D420	S413-G415 PolarHBondContact O-N 2.57Å; G415-D420 WeakPolarHBondContact CA-OD2 3.37Å
416	K	92.3	Very high	88.5	Confident	42 Å²	42	72.3 Å²	72.3	18%	0.183	39%	0.394	C	S	.	.			trans	-110.7	21.4	175.4	-56.8	-173.7	-168.8	171.5	0	112.6	Y336 E337 A340 S341 L344 P412 S413 E414	Y336-K416 PolarHBondContact OH-O 3.16Å; E337-K416 WeakPolarHBondContact OE1-CD 3.4Å; E337-K416 IonicContact OE1-NZ 2.93Å; E337-K416 PolarHBondContact OE1-NZ 3.48Å; E337-K416 IonicContact OE2-NZ 3.32Å; E337-K416 PolarHBondContact OE2-NZ 3.25Å; A340-K416 HydrophobicContact CB-CB 4.21Å; A340-K416 HydrophobicContact CB-CD 4.26Å; S341-K416 VanDerWaalsContact OG-CE 3.3Å; S341-K416 WeakPolarHBondContact OG-CE 3.31Å; S341-K416 PolarHBondContact OG-NZ 3.41Å; L344-K416 HydrophobicContact CD1-CG 4.08Å; P412-K416 HydrophobicContact CB-CB 4.37Å; S413-K416 WeakPolarHBondContact O-CB 3.28Å; S413-K416 PolarHBondContact O-N 2.96Å; E414-K416 PolarHBondContact O-N 3.23Å
417	L	90.7	Very high	89.3	Confident	65 Å²	65	65 Å²	65	34%	0.34	37%	0.368	S	S	.	.	S	Bend	trans	-67.7	152	173.8	-62.2	169.1	0	0	0	109.8	P412 S419 D420 I421	P412-L417 HydrophobicContact CB-CD2 4.49Å; P412-L417 HydrophobicContact CG-CD2 4.33Å; L417-S419 WeakPolarHBondContact CB-OG 3.47Å; L417-S419 PolarHBondContact O-N 3.08Å; L417-S419 VanDerWaalsContact O-N 3.16Å; L417-D420 HydrophobicContact CB-CB 4.48Å; L417-D420 WeakPolarHBondContact CB-OD2 3.43Å; L417-D420 PolarHBondContact N-OD2 2.85Å; L417-D420 WeakPolarHBondContact O-CB 3.48Å; L417-D420 PolarHBondContact O-N 3.24Å; L417-I421 WeakPolarHBondContact O-CG1 3.31Å; L417-I421 PolarHBondContact O-N 3.24Å
418	V	91.8	Very high	90.1	Very high	35 Å²	35	61.2 Å²	61.2	21%	0.212	35%	0.354	C	S	.	.	H	α-helix	trans	-55	-35.8	174.6	179.7	0	0	0	0	111.2	Y336 L391 E392 F395 A422	Y336-V418 HydrophobicContact CE2-CG2 4.05Å; Y336-V418 VanDerWaalsContact OH-CG2 3.26Å; Y336-V418 WeakPolarHBondContact OH-CG2 3.42Å; Y336-V418 PolarHBondContact OH-N 3.37Å; L391-V418 HydrophobicContact CD2-CG2 4.46Å; E392-V418 HydrophobicContact CG-CG1 3.9Å; F395-V418 HydrophobicContact CB-CG2 4.14Å; F395-V418 HydrophobicContact CD1-CG2 3.76Å; F395-V418 HydrophobicContact CD2-CG2 4.09Å; F395-V418 HydrophobicContact CE1-CG2 4.17Å; F395-V418 HydrophobicContact CE2-CG2 4.48Å; F395-V418 HydrophobicContact CG-CG2 3.71Å; V418-A422 WeakPolarHBondContact O-CB 3.44Å; V418-A422 PolarHBondContact O-N 3.12Å
419	S	91.2	Very high	90.9	Very high	64 Å²	64	60 Å²	60	45%	0.448	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-40.5	174.2	52.1	0	0	0	0	113.3	L417 A422 N423	L417-S419 WeakPolarHBondContact CB-OG 3.47Å; L417-S419 PolarHBondContact O-N 3.08Å; L417-S419 VanDerWaalsContact O-N 3.16Å; S419-A422 PolarHBondContact O-N 3.23Å; S419-N423 WeakPolarHBondContact O-CB 3.49Å; S419-N423 PolarHBondContact O-N 3.22Å; S419-N423 PolarHBondContact O-ND2 2.84Å
420	D	92.2	Very high	91.5	Very high	52 Å²	52	64 Å²	64	28%	0.278	35%	0.345	S	S	.	.	H	α-helix	trans	-69.5	-42.1	-178.4	-58.1	-27	0	0	0	110.3	G415 L417 A422 N423 A424	G415-D420 WeakPolarHBondContact CA-OD2 3.37Å; L417-D420 HydrophobicContact CB-CB 4.48Å; L417-D420 WeakPolarHBondContact CB-OD2 3.43Å; L417-D420 PolarHBondContact N-OD2 2.85Å; L417-D420 WeakPolarHBondContact O-CB 3.48Å; L417-D420 PolarHBondContact O-N 3.24Å; D420-A422 VanDerWaalsContact C-N 3.34Å; D420-A422 PolarHBondContact O-N 3.03Å; D420-N423 PolarHBondContact O-N 3.16Å; D420-A424 WeakPolarHBondContact O-CB 3.17Å; D420-A424 PolarHBondContact O-N 3.39Å
421	I	94.3	Very high	91.9	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-43	174.2	-61.1	167.1	0	0	0	110.4	A340 L343 L344 L391 L417 N423 A424 W425	A340-I421 HydrophobicContact CB-CD1 3.89Å; L343-I421 HydrophobicContact CD2-CG2 3.79Å; L344-I421 HydrophobicContact CD1-CG1 4.15Å; L344-I421 HydrophobicContact CD2-CG1 4.05Å; L344-I421 HydrophobicContact CG-CG1 4.12Å; L391-I421 HydrophobicContact CD1-CD1 3.72Å; L391-I421 HydrophobicContact CD2-CD1 3.67Å; L391-I421 HydrophobicContact CG-CD1 4.38Å; L417-I421 WeakPolarHBondContact O-CG1 3.31Å; L417-I421 PolarHBondContact O-N 3.24Å; I421-N423 VanDerWaalsContact C-N 3.33Å; I421-N423 PolarHBondContact O-N 3.11Å; I421-A424 PolarHBondContact O-N 2.91Å; I421-W425 VanDerWaalsContact O-CB 3.25Å; I421-W425 WeakPolarHBondContact O-CB 3.4Å; I421-W425 PolarHBondContact O-N 3.28Å
422	A	92.7	Very high	92.2	Very high	29 Å²	29	56.7 Å²	56.7	24%	0.24	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-39.1	176	0	0	0	0	0	112.3	V418 S419 D420 R426	V418-A422 WeakPolarHBondContact O-CB 3.44Å; V418-A422 PolarHBondContact O-N 3.12Å; S419-A422 PolarHBondContact O-N 3.23Å; D420-A422 VanDerWaalsContact C-N 3.34Å; D420-A422 PolarHBondContact O-N 3.03Å; A422-R426 WeakPolarHBondContact O-CB 3.44Å; A422-R426 PolarHBondContact O-N 3.48Å
423	N	93.3	Very high	92.3	Very high	85 Å²	85	62.8 Å²	62.8	46%	0.455	34%	0.336	S	S	.	.	H	α-helix	trans	-68.4	-45.6	176.1	-71.3	-27.7	0	0	0	111.9	S419 D420 I421 W425 R426 G427	S419-N423 WeakPolarHBondContact O-CB 3.49Å; S419-N423 PolarHBondContact O-N 3.22Å; S419-N423 PolarHBondContact O-ND2 2.84Å; D420-N423 PolarHBondContact O-N 3.16Å; I421-N423 VanDerWaalsContact C-N 3.33Å; I421-N423 PolarHBondContact O-N 3.11Å; N423-W425 VanDerWaalsContact C-N 3.31Å; N423-W425 PolarHBondContact O-N 3.34Å; N423-R426 PolarHBondContact O-N 3.26Å; N423-G427 PolarHBondContact O-N 2.96Å
424	A	94.2	Very high	92.6	Very high	33 Å²	33	61 Å²	61	27%	0.273	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-42	175.5	0	0	0	0	0	111.5	L344 I347 D420 I421 G427 L428	L344-A424 HydrophobicContact CD2-CB 3.94Å; I347-A424 HydrophobicContact CD1-CB 4.1Å; I347-A424 HydrophobicContact CG2-CB 4.35Å; D420-A424 WeakPolarHBondContact O-CB 3.17Å; D420-A424 PolarHBondContact O-N 3.39Å; I421-A424 PolarHBondContact O-N 2.91Å; A424-G427 PolarHBondContact O-N 2.83Å; A424-L428 PolarHBondContact O-N 3.05Å
425	W	95.9	Very high	93.2	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-41.8	175.3	-169.9	-84.4	0	0	0	112.4	L343 W346 I347 R384 I385 K388 I421 N423 G427 L428 E429	L343-W425 HydrophobicContact CD1-CZ3 4.01Å; W346-W425 HydrophobicContact CZ3-CH2 4.25Å; W346-W425 AromaticContact CZ3-CZ3 3.88Å; W346-W425 HydrophobicContact CZ3-CZ3 3.88Å; I347-W425 HydrophobicContact CD1-CE3 4.04Å; R384-W425 HydrophobicContact CB-CH2 4.12Å; R384-W425 HydrophobicContact CB-CZ3 4.2Å; I385-W425 HydrophobicContact CG1-CH2 3.8Å; I385-W425 HydrophobicContact CG1-CZ2 3.53Å; K388-W425 HydrophobicContact CD-CD2 3.78Å; K388-W425 HydrophobicContact CD-CE3 4.14Å; K388-W425 HydrophobicContact CD-CG 3.91Å; K388-W425 VanDerWaalsContact NZ-CD1 3.27Å; I421-W425 VanDerWaalsContact O-CB 3.25Å; I421-W425 WeakPolarHBondContact O-CB 3.4Å; I421-W425 PolarHBondContact O-N 3.28Å; N423-W425 VanDerWaalsContact C-N 3.31Å; N423-W425 PolarHBondContact O-N 3.34Å; W425-G427 VanDerWaalsContact C-N 3.33Å; W425-G427 PolarHBondContact O-N 3.32Å; W425-L428 HydrophobicContact CZ3-CD2 4.49Å; W425-L428 WeakPolarHBondContact O-CB 3.45Å; W425-L428 PolarHBondContact O-N 3.37Å; W425-E429 VanDerWaalsContact CD1-OE1 3.29Å; W425-E429 PolarHBondContact NE1-OE1 3.44Å; W425-E429 WeakPolarHBondContact O-CG 3.39Å; W425-E429 PolarHBondContact O-N 3.14Å
426	R	94.2	Very high	93.5	Very high	161 Å²	161	53 Å²	53	61%	0.608	28%	0.28	S	S	*	.	H	α-helix	trans	-63.2	-39.5	175.3	-169	-174.1	-59.5	157.3	5.7	111.7	A422 N423 E429 Q430	A422-R426 WeakPolarHBondContact O-CB 3.44Å; A422-R426 PolarHBondContact O-N 3.48Å; N423-R426 PolarHBondContact O-N 3.26Å; R426-E429 PolarHBondContact O-N 3.47Å; R426-Q430 PolarHBondContact O-N 2.96Å; R426-Q430 VanDerWaalsContact O-N 3.08Å
427	G	94.1	Very high	93.5	Very high	29 Å²	29	55.3 Å²	55.3	30%	0.299	29%	0.294	S	S	.	.	H	α-helix	trans	-59.8	-46.3	173.4	0	0	0	0	0	112	N423 A424 W425 E429 Q430 V431	N423-G427 PolarHBondContact O-N 2.96Å; A424-G427 PolarHBondContact O-N 2.83Å; W425-G427 VanDerWaalsContact C-N 3.33Å; W425-G427 PolarHBondContact O-N 3.32Å; G427-E429 PolarHBondContact O-N 3.45Å; G427-Q430 WeakPolarHBondContact O-CB 3.22Å; G427-Q430 PolarHBondContact O-N 2.85Å; G427-V431 WeakPolarHBondContact O-CG2 3.49Å; G427-V431 PolarHBondContact O-N 3.46Å
428	L	95.5	Very high	93.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-56.8	-48.3	174.3	177.3	67.1	0	0	0	112	W346 I347 T350 V351 L354 A424 W425 Q430 V431 E432	W346-L428 HydrophobicContact CH2-CD2 3.9Å; W346-L428 HydrophobicContact CZ3-CD2 3.5Å; I347-L428 HydrophobicContact CG1-CD2 4.29Å; I347-L428 HydrophobicContact CG2-CB 4.29Å; T350-L428 HydrophobicContact CG2-CD1 4.04Å; V351-L428 HydrophobicContact CG2-CB 4.43Å; V351-L428 HydrophobicContact CG2-CD1 3.94Å; L354-L428 HydrophobicContact CD1-CD1 3.57Å; A424-L428 PolarHBondContact O-N 3.05Å; W425-L428 HydrophobicContact CZ3-CD2 4.49Å; W425-L428 WeakPolarHBondContact O-CB 3.45Å; W425-L428 PolarHBondContact O-N 3.37Å; L428-Q430 VanDerWaalsContact C-N 3.27Å; L428-Q430 PolarHBondContact O-N 3Å; L428-V431 PolarHBondContact O-N 2.98Å; L428-E432 HydrophobicContact CD1-CG 4.43Å; L428-E432 HydrophobicContact CG-CG 4.43Å; L428-E432 WeakPolarHBondContact O-CB 3.36Å; L428-E432 WeakPolarHBondContact O-CG 3.44Å; L428-E432 PolarHBondContact O-N 2.7Å
429	E	94.9	Very high	93.8	Very high	90 Å²	90	52.9 Å²	52.9	42%	0.421	28%	0.276	S	S	.	.	H	α-helix	trans	-60.5	-35.2	178.7	-72.2	176.1	162.8	0	0	112.8	W425 R426 G427 K433	W425-E429 VanDerWaalsContact CD1-OE1 3.29Å; W425-E429 PolarHBondContact NE1-OE1 3.44Å; W425-E429 WeakPolarHBondContact O-CG 3.39Å; W425-E429 PolarHBondContact O-N 3.14Å; R426-E429 PolarHBondContact O-N 3.47Å; G427-E429 PolarHBondContact O-N 3.45Å; E429-K433 PolarHBondContact O-N 2.99Å; E429-K433 VanDerWaalsContact O-N 3.1Å
430	Q	94.1	Very high	93.7	Very high	151 Å²	151	52.7 Å²	52.7	71%	0.706	27%	0.27	S	S	*	.	H	α-helix	trans	-67.9	-44.2	176	-174.2	175.1	2.5	0	0	111.9	R426 G427 L428 K433 G434	R426-Q430 PolarHBondContact O-N 2.96Å; R426-Q430 VanDerWaalsContact O-N 3.08Å; G427-Q430 WeakPolarHBondContact O-CB 3.22Å; G427-Q430 PolarHBondContact O-N 2.85Å; L428-Q430 VanDerWaalsContact C-N 3.27Å; L428-Q430 PolarHBondContact O-N 3Å; Q430-K433 PolarHBondContact O-N 3.35Å; Q430-G434 PolarHBondContact O-N 3.1Å; Q430-G434 VanDerWaalsContact O-N 3.11Å
431	V	95.8	Very high	93.7	Very high	21 Å²	21	53.3 Å²	53.3	13%	0.127	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-41.4	177.8	177.4	0	0	0	0	111	V351 L354 E355 R357 G427 L428 K433 G434 Y435	V351-V431 HydrophobicContact CG1-CG2 4.31Å; L354-V431 HydrophobicContact CB-CG1 3.49Å; L354-V431 VanDerWaalsContact CB-CG1 3.49Å; E355-V431 HydrophobicContact CB-CG1 4.45Å; E355-V431 HydrophobicContact CG-CG1 3.49Å; E355-V431 VanDerWaalsContact CG-CG1 3.49Å; E355-V431 HydrophobicContact CG-CG2 4.14Å; R357-V431 PolarHBondContact NH2-O 3.17Å; G427-V431 WeakPolarHBondContact O-CG2 3.49Å; G427-V431 PolarHBondContact O-N 3.46Å; L428-V431 PolarHBondContact O-N 2.98Å; V431-K433 PolarHBondContact O-N 3.36Å; V431-G434 PolarHBondContact O-N 3.14Å; V431-Y435 PolarHBondContact O-N 3.47Å
432	E	94.2	Very high	93.5	Very high	13 Å²	13	54.6 Å²	54.6	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-56.7	-48.1	174.7	-78.7	180	176.5	0	0	112	L354 Y376 K381 L428 G434 Y435 E436	L354-E432 HydrophobicContact CD1-CB 4.43Å; L354-E432 HydrophobicContact CD1-CG 3.43Å; L354-E432 VanDerWaalsContact CD1-CG 3.43Å; Y376-E432 HydrophobicContact CE1-CG 4.2Å; Y376-E432 VanDerWaalsContact CE1-OE1 3.31Å; Y376-E432 WeakPolarHBondContact CE1-OE1 3.25Å; Y376-E432 PolarHBondContact OH-OE1 2.91Å; K381-E432 VanDerWaalsContact CD-OE1 3.31Å; K381-E432 WeakPolarHBondContact CD-OE1 3.11Å; K381-E432 VanDerWaalsContact CE-OE1 3.28Å; K381-E432 WeakPolarHBondContact CE-OE1 3.31Å; K381-E432 IonicContact NZ-OE1 2.74Å; K381-E432 PolarHBondContact NZ-OE1 2.67Å; K381-E432 IonicContact NZ-OE2 2.67Å; K381-E432 PolarHBondContact NZ-OE2 3.12Å; L428-E432 HydrophobicContact CD1-CG 4.43Å; L428-E432 HydrophobicContact CG-CG 4.43Å; L428-E432 WeakPolarHBondContact O-CB 3.36Å; L428-E432 WeakPolarHBondContact O-CG 3.44Å; L428-E432 PolarHBondContact O-N 2.7Å; E432-G434 VanDerWaalsContact C-N 3.32Å; E432-G434 PolarHBondContact O-N 3.41Å; E432-Y435 PolarHBondContact O-N 2.88Å; E432-Y435 VanDerWaalsContact O-N 3.14Å; E432-E436 PolarHBondContact O-N 3.35Å
433	K	92.6	Very high	93.4	Very high	138 Å²	138	54.3 Å²	54.3	60%	0.6	28%	0.279	S	S	*	.	H	α-helix	trans	-59.2	-46	177.3	-176.3	177	179.8	176.4	0	111	E429 Q430 V431 Y435 E436 D437	E429-K433 PolarHBondContact O-N 2.99Å; E429-K433 VanDerWaalsContact O-N 3.1Å; Q430-K433 PolarHBondContact O-N 3.35Å; V431-K433 PolarHBondContact O-N 3.36Å; K433-Y435 VanDerWaalsContact C-N 3.28Å; K433-Y435 PolarHBondContact O-N 3.18Å; K433-E436 PolarHBondContact O-N 3.39Å; K433-D437 PolarHBondContact O-N 2.94Å
434	G	93	Very high	93.3	Very high	24 Å²	24	57.1 Å²	57.1	25%	0.247	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-34.4	176.2	0	0	0	0	0	113.4	Q430 V431 E432 W438	Q430-G434 PolarHBondContact O-N 3.1Å; Q430-G434 VanDerWaalsContact O-N 3.11Å; V431-G434 PolarHBondContact O-N 3.14Å; E432-G434 VanDerWaalsContact C-N 3.32Å; E432-G434 PolarHBondContact O-N 3.41Å; G434-W438 VanDerWaalsContact O-CB 3.25Å; G434-W438 WeakPolarHBondContact O-CB 3.28Å; G434-W438 PolarHBondContact O-N 2.93Å
435	Y	94.8	Very high	93.2	Very high	2 Å²	2	59 Å²	59	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-72.3	-41.1	177.7	-172.2	-103.3	0	0	0	112.1	L354 R357 F373 V431 E432 K433 W438 L439	L354-Y435 HydrophobicContact CD2-CD1 3.76Å; L354-Y435 HydrophobicContact CD2-CE1 4.28Å; L354-Y435 HydrophobicContact CD2-CG 4.03Å; L354-Y435 WeakPolarHBondContact O-CB 3.44Å; L354-Y435 WeakPolarHBondContact O-CD2 3.4Å; R357-Y435 VanDerWaalsContact NH2-N 3.18Å; F373-Y435 HydrophobicContact CB-CE1 4.06Å; F373-Y435 AromaticContact CD2-CD1 3.56Å; F373-Y435 HydrophobicContact CD2-CD1 3.56Å; F373-Y435 AromaticContact CD2-CE1 3.7Å; F373-Y435 HydrophobicContact CD2-CE1 3.7Å; F373-Y435 AromaticContact CE2-CD1 3.76Å; F373-Y435 HydrophobicContact CE2-CD1 3.76Å; F373-Y435 HydrophobicContact CE2-CE1 4.37Å; F373-Y435 HydrophobicContact CG-CD1 4.06Å; F373-Y435 AromaticContact CG-CE1 3.97Å; F373-Y435 HydrophobicContact CG-CE1 3.97Å; F373-Y435 HydrophobicContact CZ-CD1 4.39Å; V431-Y435 PolarHBondContact O-N 3.47Å; E432-Y435 PolarHBondContact O-N 2.88Å; E432-Y435 VanDerWaalsContact O-N 3.14Å; K433-Y435 VanDerWaalsContact C-N 3.28Å; K433-Y435 PolarHBondContact O-N 3.18Å; Y435-W438 AromaticContact CD2-CE3 3.96Å; Y435-W438 HydrophobicContact CD2-CE3 3.96Å; Y435-W438 HydrophobicContact CD2-CZ3 4.08Å; Y435-W438 AromaticContact CE2-CE3 3.96Å; Y435-W438 HydrophobicContact CE2-CE3 3.96Å; Y435-W438 AromaticContact CE2-CZ3 3.59Å; Y435-W438 HydrophobicContact CE2-CZ3 3.59Å; Y435-L439 HydrophobicContact CD1-CD1 3.57Å; Y435-L439 HydrophobicContact CD1-CG 4.16Å; Y435-L439 HydrophobicContact CE1-CD1 3.18Å; Y435-L439 HydrophobicContact CE1-CG 3.87Å; Y435-L439 HydrophobicContact CE2-CG 4.41Å; Y435-L439 HydrophobicContact CG-CD1 4.43Å; Y435-L439 VanDerWaalsContact O-CB 3.28Å; Y435-L439 WeakPolarHBondContact O-CB 3.41Å; Y435-L439 WeakPolarHBondContact O-CG 3.49Å; Y435-L439 PolarHBondContact O-N 3Å
436	E	92.2	Very high	92.9	Very high	71 Å²	71	59.6 Å²	59.6	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-49.2	173.4	-176.2	166.6	-158.1	0	0	111.5	F373 R377 E432 K433 W438 L439 L440	F373-E436 HydrophobicContact CE1-CB 3.89Å; F373-E436 HydrophobicContact CE1-CG 4.16Å; F373-E436 HydrophobicContact CZ-CB 4.11Å; R377-E436 IonicContact NH1-OE1 3.11Å; R377-E436 PolarHBondContact NH1-OE1 3.21Å; R377-E436 IonicContact NH1-OE2 3.45Å; R377-E436 PolarHBondContact NH1-OE2 3.43Å; E432-E436 PolarHBondContact O-N 3.35Å; K433-E436 PolarHBondContact O-N 3.39Å; E436-W438 PolarHBondContact O-N 2.87Å; E436-L439 PolarHBondContact O-N 3.15Å; E436-L440 HydrophobicContact CG-CD1 4.01Å; E436-L440 WeakPolarHBondContact O-CB 3.47Å; E436-L440 VanDerWaalsContact O-CG 3.25Å; E436-L440 WeakPolarHBondContact O-CG 3.28Å; E436-L440 PolarHBondContact O-N 2.91Å
437	D	92.3	Very high	92.7	Very high	90 Å²	90	57.8 Å²	57.8	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-44.3	179.9	-73.2	-26.1	0	0	0	111.8	K433 S441	K433-D437 PolarHBondContact O-N 2.94Å; D437-S441 WeakPolarHBondContact O-CB 3.22Å; D437-S441 PolarHBondContact O-N 3.01Å
438	W	95.2	Very high	92.6	Very high	48 Å²	48	63 Å²	63	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-50.3	176.4	169	79.1	0	0	0	112.2	R357 V358 M366 G434 Y435 E436 L440 S441 E442	R357-W438 HydrophobicContact CB-CD2 4.3Å; R357-W438 HydrophobicContact CB-CZ2 4.34Å; R357-W438 WeakPolarHBondContact O-CZ2 3.42Å; V358-W438 WeakPolarHBondContact O-CH2 3.25Å; M366-W438 HydrophobicContact CE-CH2 3.83Å; M366-W438 HydrophobicContact CE-CZ2 4.25Å; M366-W438 HydrophobicContact CE-CZ3 4.23Å; G434-W438 VanDerWaalsContact O-CB 3.25Å; G434-W438 WeakPolarHBondContact O-CB 3.28Å; G434-W438 PolarHBondContact O-N 2.93Å; Y435-W438 AromaticContact CD2-CE3 3.96Å; Y435-W438 HydrophobicContact CD2-CE3 3.96Å; Y435-W438 HydrophobicContact CD2-CZ3 4.08Å; Y435-W438 AromaticContact CE2-CE3 3.96Å; Y435-W438 HydrophobicContact CE2-CE3 3.96Å; Y435-W438 AromaticContact CE2-CZ3 3.59Å; Y435-W438 HydrophobicContact CE2-CZ3 3.59Å; E436-W438 PolarHBondContact O-N 2.87Å; W438-L440 VanDerWaalsContact C-N 3.31Å; W438-L440 PolarHBondContact O-N 3.25Å; W438-S441 PolarHBondContact O-N 2.96Å; W438-E442 WeakPolarHBondContact O-CB 3.35Å; W438-E442 PolarHBondContact O-N 3.39Å
439	L	92.5	Very high	92.4	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-55	-48	178.5	-88.7	176.9	0	0	0	111.2	M366 K369 L370 F373 Y435 E436 E442 I443	M366-L439 HydrophobicContact CE-CD2 3.65Å; K369-L439 HydrophobicContact CB-CD2 4.1Å; L370-L439 HydrophobicContact CD1-CD1 4.39Å; F373-L439 HydrophobicContact CB-CD1 4.07Å; F373-L439 HydrophobicContact CD1-CD1 4.27Å; F373-L439 HydrophobicContact CG-CD1 4.17Å; Y435-L439 HydrophobicContact CD1-CD1 3.57Å; Y435-L439 HydrophobicContact CD1-CG 4.16Å; Y435-L439 HydrophobicContact CE1-CD1 3.18Å; Y435-L439 HydrophobicContact CE1-CG 3.87Å; Y435-L439 HydrophobicContact CE2-CG 4.41Å; Y435-L439 HydrophobicContact CG-CD1 4.43Å; Y435-L439 VanDerWaalsContact O-CB 3.28Å; Y435-L439 WeakPolarHBondContact O-CB 3.41Å; Y435-L439 WeakPolarHBondContact O-CG 3.49Å; Y435-L439 PolarHBondContact O-N 3Å; E436-L439 PolarHBondContact O-N 3.15Å; L439-E442 PolarHBondContact O-N 2.85Å; L439-I443 WeakPolarHBondContact O-CB 3.46Å; L439-I443 VanDerWaalsContact O-CG1 3.28Å; L439-I443 WeakPolarHBondContact O-CG1 3.45Å; L439-I443 PolarHBondContact O-N 3.32Å
440	L	90.7	Very high	92.2	Very high	59 Å²	59	64.5 Å²	64.5	31%	0.309	30%	0.303	S	S	.	.	H	α-helix	trans	-67.5	-37.9	-178.9	-68.9	175.2	0	0	0	112	E436 W438 R444	E436-L440 HydrophobicContact CG-CD1 4.01Å; E436-L440 WeakPolarHBondContact O-CB 3.47Å; E436-L440 VanDerWaalsContact O-CG 3.25Å; E436-L440 WeakPolarHBondContact O-CG 3.28Å; E436-L440 PolarHBondContact O-N 2.91Å; W438-L440 VanDerWaalsContact C-N 3.31Å; W438-L440 PolarHBondContact O-N 3.25Å; L440-R444 WeakPolarHBondContact O-CB 3.38Å; L440-R444 VanDerWaalsContact O-CG 3.31Å; L440-R444 WeakPolarHBondContact O-CG 3.45Å; L440-R444 PolarHBondContact O-N 3.08Å; L440-R444 VanDerWaalsContact O-N 3.11Å; L440-R444 PolarHBondContact O-NE 3.43Å
441	S	91.1	Very high	92.2	Very high	65 Å²	65	62.6 Å²	62.6	46%	0.455	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-45.1	175.2	-165.3	0	0	0	0	111.4	D437 W438 R444 R445	D437-S441 WeakPolarHBondContact O-CB 3.22Å; D437-S441 PolarHBondContact O-N 3.01Å; W438-S441 PolarHBondContact O-N 2.96Å; S441-R444 PolarHBondContact O-N 2.89Å; S441-R445 PolarHBondContact O-N 3.04Å
442	E	90.9	Very high	92.1	Very high	29 Å²	29	62 Å²	62	14%	0.136	29%	0.29	C	S	.	.	H	α-helix	trans	-69.7	-40.2	-177.8	-170.5	57.6	-161.4	0	0	112.2	M366 W438 L439 R444 R445 L446	M366-E442 HydrophobicContact CE-CB 3.87Å; M366-E442 HydrophobicContact CE-CG 3.67Å; W438-E442 WeakPolarHBondContact O-CB 3.35Å; W438-E442 PolarHBondContact O-N 3.39Å; L439-E442 PolarHBondContact O-N 2.85Å; E442-R444 VanDerWaalsContact C-N 3.33Å; E442-R444 PolarHBondContact O-N 3.35Å; E442-R445 WeakPolarHBondContact O-CB 3.28Å; E442-R445 PolarHBondContact O-N 3.11Å; E442-R445 IonicContact OE1-CZ 2.86Å; E442-R445 VanDerWaalsContact OE1-CZ 3.3Å; E442-R445 IonicContact OE1-NE 2.95Å; E442-R445 PolarHBondContact OE1-NE 3.32Å; E442-R445 VanDerWaalsContact OE1-NE 3.12Å; E442-R445 IonicContact OE1-NH2 2.83Å; E442-R445 PolarHBondContact OE1-NH2 2.98Å; E442-R445 IonicContact OE2-CZ 3.2Å; E442-R445 IonicContact OE2-NE 2.92Å; E442-R445 PolarHBondContact OE2-NE 3.27Å; E442-R445 IonicContact OE2-NH2 3.3Å; E442-L446 WeakPolarHBondContact O-CG 3.49Å; E442-L446 PolarHBondContact O-N 2.98Å
443	I	90.7	Very high	92.1	Very high	24 Å²	24	61.7 Å²	61.7	12%	0.123	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-43.1	172.6	-71.1	169.5	0	0	0	111	M366 L370 L439 L446 Q447	M366-I443 HydrophobicContact CB-CG1 3.92Å; L370-I443 HydrophobicContact CB-CD1 4.04Å; L370-I443 HydrophobicContact CD2-CD1 3.94Å; L370-I443 HydrophobicContact CG-CD1 4.4Å; L439-I443 WeakPolarHBondContact O-CB 3.46Å; L439-I443 VanDerWaalsContact O-CG1 3.28Å; L439-I443 WeakPolarHBondContact O-CG1 3.45Å; L439-I443 PolarHBondContact O-N 3.32Å; I443-L446 PolarHBondContact O-N 2.95Å; I443-Q447 WeakPolarHBondContact O-CB 3.27Å; I443-Q447 PolarHBondContact O-N 2.83Å
444	R	90.3	Very high	92.2	Very high	143 Å²	143	58.6 Å²	58.6	54%	0.54	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-40.8	176.1	-76	-176.7	-66.6	-103.8	0.5	112	L440 S441 E442 Q447 R448	L440-R444 WeakPolarHBondContact O-CB 3.38Å; L440-R444 VanDerWaalsContact O-CG 3.31Å; L440-R444 WeakPolarHBondContact O-CG 3.45Å; L440-R444 PolarHBondContact O-N 3.08Å; L440-R444 VanDerWaalsContact O-N 3.11Å; L440-R444 PolarHBondContact O-NE 3.43Å; S441-R444 PolarHBondContact O-N 2.89Å; E442-R444 VanDerWaalsContact C-N 3.33Å; E442-R444 PolarHBondContact O-N 3.35Å; R444-Q447 PolarHBondContact O-N 2.97Å; R444-R448 WeakPolarHBondContact O-CB 3.38Å; R444-R448 PolarHBondContact O-N 3.14Å
445	R	91.4	Very high	92.3	Very high	73 Å²	73	61.5 Å²	61.5	28%	0.275	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-50.5	176.4	-168.9	-172.3	74	86.9	2.2	111	S441 E442 Q447 R448 L449 L521	S441-R445 PolarHBondContact O-N 3.04Å; E442-R445 WeakPolarHBondContact O-CB 3.28Å; E442-R445 PolarHBondContact O-N 3.11Å; E442-R445 IonicContact OE1-CZ 2.86Å; E442-R445 VanDerWaalsContact OE1-CZ 3.3Å; E442-R445 IonicContact OE1-NE 2.95Å; E442-R445 PolarHBondContact OE1-NE 3.32Å; E442-R445 VanDerWaalsContact OE1-NE 3.12Å; E442-R445 IonicContact OE1-NH2 2.83Å; E442-R445 PolarHBondContact OE1-NH2 2.98Å; E442-R445 IonicContact OE2-CZ 3.2Å; E442-R445 IonicContact OE2-NE 2.92Å; E442-R445 PolarHBondContact OE2-NE 3.27Å; E442-R445 IonicContact OE2-NH2 3.3Å; R445-Q447 VanDerWaalsContact C-N 3.34Å; R445-Q447 PolarHBondContact O-N 3.49Å; R445-R448 PolarHBondContact O-N 3.1Å; R445-L449 PolarHBondContact O-N 3Å; R445-L521 HydrophobicContact CG-CD2 4.43Å; R445-L521 PolarHBondContact NH1-O 3.1Å
446	L	90.1	Very high	92.4	Very high	19 Å²	19	61.8 Å²	61.8	10%	0.099	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-39.7	177.7	-71.8	174.7	0	0	0	112.4	M366 E442 I443 L449 Q450	M366-L446 HydrophobicContact CB-CD1 4.16Å; M366-L446 HydrophobicContact CG-CD1 3.55Å; E442-L446 WeakPolarHBondContact O-CG 3.49Å; E442-L446 PolarHBondContact O-N 2.98Å; I443-L446 PolarHBondContact O-N 2.95Å; L446-L449 HydrophobicContact CD2-CD1 4.38Å; L446-L449 WeakPolarHBondContact O-CB 3.35Å; L446-L449 PolarHBondContact O-N 2.76Å; L446-Q450 PolarHBondContact O-N 3.17Å
447	Q	90.2	Very high	92.6	Very high	124 Å²	124	63.9 Å²	63.9	58%	0.579	29%	0.289	S	S	*	.	H	α-helix	trans	-64.2	-41.8	175.7	-172.1	178.6	2.8	0	0	111.8	I443 R444 R445 Q450 H451	I443-Q447 WeakPolarHBondContact O-CB 3.27Å; I443-Q447 PolarHBondContact O-N 2.83Å; R444-Q447 PolarHBondContact O-N 2.97Å; R445-Q447 VanDerWaalsContact C-N 3.34Å; R445-Q447 PolarHBondContact O-N 3.49Å; Q447-Q450 PolarHBondContact O-N 3.11Å; Q447-H451 WeakPolarHBondContact O-CB 3.35Å; Q447-H451 PolarHBondContact O-N 2.98Å; Q447-H451 VanDerWaalsContact O-N 3.08Å
448	R	92.3	Very high	92.8	Very high	137 Å²	137	65.1 Å²	65.1	52%	0.517	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-46.6	173.8	-176.8	177.7	-178.7	174.6	0.4	110.9	R444 R445 Q450 H451 L452 E517 L521	R444-R448 WeakPolarHBondContact O-CB 3.38Å; R444-R448 PolarHBondContact O-N 3.14Å; R445-R448 PolarHBondContact O-N 3.1Å; R448-Q450 PolarHBondContact O-N 3.28Å; R448-H451 PolarHBondContact O-N 3.34Å; R448-L452 HydrophobicContact CG-CD1 3.82Å; R448-L452 HydrophobicContact CG-CG 4.22Å; R448-L452 WeakPolarHBondContact O-CB 3.43Å; R448-L452 VanDerWaalsContact O-CG 3.28Å; R448-L452 WeakPolarHBondContact O-CG 3.48Å; R448-L452 PolarHBondContact O-N 3.05Å; R448-E517 IonicContact CZ-OE1 2.71Å; R448-E517 IonicContact NE-OE1 3.17Å; R448-E517 PolarHBondContact NE-OE1 3.47Å; R448-E517 IonicContact NH2-OE1 2.75Å; R448-E517 PolarHBondContact NH2-OE1 3.48Å; R448-L521 HydrophobicContact CG-CD1 4.2Å
449	L	92.2	Very high	92.8	Very high	8 Å²	8	66.6 Å²	66.6	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-56.4	-47.9	176	-81.6	175.6	0	0	0	112.3	R445 L446 H451 L452 A453 L518 L521 Y523	R445-L449 PolarHBondContact O-N 3Å; L446-L449 HydrophobicContact CD2-CD1 4.38Å; L446-L449 WeakPolarHBondContact O-CB 3.35Å; L446-L449 PolarHBondContact O-N 2.76Å; L449-H451 VanDerWaalsContact C-N 3.32Å; L449-H451 PolarHBondContact O-N 3.35Å; L449-L452 PolarHBondContact O-N 2.79Å; L449-A453 VanDerWaalsContact O-CB 3.25Å; L449-A453 WeakPolarHBondContact O-CB 3.33Å; L449-A453 PolarHBondContact O-N 2.85Å; L449-L518 HydrophobicContact CD2-CD2 3.78Å; L449-L521 HydrophobicContact CD2-CB 3.45Å; L449-L521 VanDerWaalsContact CD2-CB 3.45Å; L449-L521 HydrophobicContact CD2-CD1 4.02Å; L449-L521 HydrophobicContact CD2-CG 4.4Å; L449-L521 HydrophobicContact CG-CB 4.08Å; L449-L521 HydrophobicContact CG-CD1 4.37Å; L449-Y523 HydrophobicContact CB-CD2 4.23Å; L449-Y523 HydrophobicContact CD1-CD2 4.38Å; L449-Y523 HydrophobicContact CD2-CD2 3.9Å; L449-Y523 HydrophobicContact CD2-CG 4.22Å; L449-Y523 HydrophobicContact CG-CD2 4.42Å
450	Q	90.4	Very high	93	Very high	114 Å²	114	66.6 Å²	66.6	53%	0.533	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-41.4	179.1	-169.3	175.1	9.1	0	0	111.8	L446 Q447 R448 E454	L446-Q450 PolarHBondContact O-N 3.17Å; Q447-Q450 PolarHBondContact O-N 3.11Å; R448-Q450 PolarHBondContact O-N 3.28Å; Q450-E454 WeakPolarHBondContact O-CB 3.31Å; Q450-E454 PolarHBondContact O-N 3.3Å
451	H	92.6	Very high	93.3	Very high	112 Å²	112	66.3 Å²	66.3	52%	0.519	30%	0.303	S	S	.	.	H	α-helix	trans	-67.3	-43.4	177.6	-171.4	61.4	0	0	0	112.8	Q447 R448 L449 K455	Q447-H451 WeakPolarHBondContact O-CB 3.35Å; Q447-H451 PolarHBondContact O-N 2.98Å; Q447-H451 VanDerWaalsContact O-N 3.08Å; R448-H451 PolarHBondContact O-N 3.34Å; L449-H451 VanDerWaalsContact C-N 3.32Å; L449-H451 PolarHBondContact O-N 3.35Å; H451-K455 VanDerWaalsContact NE2-CE 3.28Å; H451-K455 WeakPolarHBondContact NE2-CE 3.5Å; H451-K455 WeakPolarHBondContact O-CB 3.28Å; H451-K455 WeakPolarHBondContact O-CG 3.5Å; H451-K455 PolarHBondContact O-N 3.36Å
452	L	95.1	Very high	93.5	Very high	9 Å²	9	68.1 Å²	68.1	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-43	176.7	-70.3	173	0	0	0	111.5	R448 L449 E454 K455 F456 L514 E517 L518 L521	R448-L452 HydrophobicContact CG-CD1 3.82Å; R448-L452 HydrophobicContact CG-CG 4.22Å; R448-L452 WeakPolarHBondContact O-CB 3.43Å; R448-L452 VanDerWaalsContact O-CG 3.28Å; R448-L452 WeakPolarHBondContact O-CG 3.48Å; R448-L452 PolarHBondContact O-N 3.05Å; L449-L452 PolarHBondContact O-N 2.79Å; L452-E454 PolarHBondContact O-N 3.34Å; L452-K455 PolarHBondContact O-N 2.93Å; L452-F456 WeakPolarHBondContact O-CB 3.44Å; L452-F456 PolarHBondContact O-N 3.23Å; L452-L514 HydrophobicContact CD2-CD2 3.73Å; L452-E517 HydrophobicContact CD1-CB 4.42Å; L452-E517 VanDerWaalsContact CD1-CD 3.45Å; L452-E517 HydrophobicContact CD1-CG 3.76Å; L452-E517 WeakPolarHBondContact CD1-OE1 3.42Å; L452-E517 WeakPolarHBondContact CD2-OE2 3.44Å; L452-L518 HydrophobicContact CB-CD2 3.65Å; L452-L518 HydrophobicContact CB-CG 3.99Å; L452-L518 HydrophobicContact CD1-CD2 4.5Å; L452-L521 HydrophobicContact CD1-CD1 3.84Å
453	A	93.9	Very high	93.7	Very high	6 Å²	6	66.8 Å²	66.8	5%	0.05	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-41.7	177.9	0	0	0	0	0	111.8	L449 F456 R457 L518 Y523	L449-A453 VanDerWaalsContact O-CB 3.25Å; L449-A453 WeakPolarHBondContact O-CB 3.33Å; L449-A453 PolarHBondContact O-N 2.85Å; A453-F456 PolarHBondContact O-N 3.07Å; A453-R457 WeakPolarHBondContact O-CB 3.44Å; A453-R457 PolarHBondContact O-N 2.98Å; A453-L518 HydrophobicContact CB-CD2 4.22Å; A453-Y523 HydrophobicContact CB-CE1 4.13Å; A453-Y523 HydrophobicContact CB-CE2 4.07Å; A453-Y523 WeakPolarHBondContact CB-OH 3.4Å
454	E	94.2	Very high	93.9	Very high	72 Å²	72	68.4 Å²	68.4	34%	0.336	31%	0.308	S	S	.	.	H	α-helix	trans	-65.8	-43.4	174.9	-176.2	57.2	-154.1	0	0	111.6	Q450 L452 F456 R457 Q458	Q450-E454 WeakPolarHBondContact O-CB 3.31Å; Q450-E454 PolarHBondContact O-N 3.3Å; L452-E454 PolarHBondContact O-N 3.34Å; E454-F456 PolarHBondContact O-N 2.83Å; E454-R457 PolarHBondContact O-N 3.37Å; E454-R457 IonicContact OE2-CZ 2.67Å; E454-R457 IonicContact OE2-NH1 3.65Å; E454-R457 PolarHBondContact OE2-NH1 3.46Å; E454-Q458 WeakPolarHBondContact O-CG 3.48Å; E454-Q458 PolarHBondContact O-N 3.32Å; E454-Q458 PolarHBondContact OE1-NE2 3.11Å
455	K	94.8	Very high	94.2	Very high	86 Å²	86	64.3 Å²	64.3	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-59.1	-45.3	173.7	-84.2	-179.3	170.1	179.8	0	112.4	H451 L452 Q458 K459 L514	H451-K455 VanDerWaalsContact NE2-CE 3.28Å; H451-K455 WeakPolarHBondContact NE2-CE 3.5Å; H451-K455 WeakPolarHBondContact O-CB 3.28Å; H451-K455 WeakPolarHBondContact O-CG 3.5Å; H451-K455 PolarHBondContact O-N 3.36Å; L452-K455 PolarHBondContact O-N 2.93Å; K455-Q458 PolarHBondContact O-N 3.45Å; K455-K459 WeakPolarHBondContact O-CB 3.49Å; K455-K459 WeakPolarHBondContact O-CG 3.32Å; K455-K459 PolarHBondContact O-N 2.92Å; K455-L514 HydrophobicContact CB-CD1 4.29Å
456	F	97.5	Very high	94.3	Very high	7 Å²	7	63 Å²	63	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-50.6	175.9	173.8	-93.6	0	0	0	110	L452 A453 E454 Q458 K459 A460 I511 L514 A515 L518 V529 R532 C533	L452-F456 WeakPolarHBondContact O-CB 3.44Å; L452-F456 PolarHBondContact O-N 3.23Å; A453-F456 PolarHBondContact O-N 3.07Å; E454-F456 PolarHBondContact O-N 2.83Å; F456-Q458 PolarHBondContact O-N 3.3Å; F456-K459 PolarHBondContact O-N 2.84Å; F456-A460 HydrophobicContact CE1-CB 4.36Å; F456-A460 HydrophobicContact CZ-CB 4.37Å; F456-A460 WeakPolarHBondContact O-CB 3.4Å; F456-A460 PolarHBondContact O-N 3.38Å; F456-I511 HydrophobicContact CD2-CG2 4Å; F456-I511 HydrophobicContact CE2-CG2 3.55Å; F456-I511 HydrophobicContact CZ-CG2 4.44Å; F456-L514 HydrophobicContact CB-CB 4.47Å; F456-L514 HydrophobicContact CD2-CB 4.39Å; F456-A515 HydrophobicContact CD2-CB 4.29Å; F456-A515 HydrophobicContact CE2-CB 3.95Å; F456-L518 HydrophobicContact CB-CD1 4.06Å; F456-L518 HydrophobicContact CG-CD1 4.41Å; F456-V529 HydrophobicContact CD1-CG1 3.98Å; F456-V529 HydrophobicContact CD1-CG2 4.21Å; F456-V529 HydrophobicContact CD2-CG1 4.12Å; F456-V529 HydrophobicContact CE1-CB 4.18Å; F456-V529 HydrophobicContact CE1-CG1 3.74Å; F456-V529 HydrophobicContact CE1-CG2 4.16Å; F456-V529 HydrophobicContact CE2-CG1 3.87Å; F456-V529 HydrophobicContact CG-CG1 4.18Å; F456-V529 HydrophobicContact CZ-CB 4.43Å; F456-V529 HydrophobicContact CZ-CG1 3.69Å; F456-V529 WeakPolarHBondContact CZ-O 3.37Å; F456-R532 HydrophobicContact CZ-CB 4.42Å; F456-C533 HydrophobicContact CE2-CB 4.15Å; F456-C533 HydrophobicContact CZ-CB 4.22Å
457	R	95.8	Very high	94.6	Very high	115 Å²	115	62.2 Å²	62.2	43%	0.434	30%	0.295	S	S	.	.	H	α-helix	trans	-55.2	-49.3	178.7	-176.1	-175	-66.6	135.5	-2.3	111.9	A453 E454 S461	A453-R457 WeakPolarHBondContact O-CB 3.44Å; A453-R457 PolarHBondContact O-N 2.98Å; E454-R457 PolarHBondContact O-N 3.37Å; E454-R457 IonicContact OE2-CZ 2.67Å; E454-R457 IonicContact OE2-NH1 3.65Å; E454-R457 PolarHBondContact OE2-NH1 3.46Å; R457-S461 WeakPolarHBondContact O-CB 3.32Å; R457-S461 PolarHBondContact O-N 3.39Å; R457-S461 PolarHBondContact O-OG 3.46Å
458	Q	96.3	Very high	94.8	Very high	116 Å²	116	65.9 Å²	65.9	54%	0.542	30%	0.304	S	S	.	.	H	α-helix	trans	-64.1	-48.1	-179.7	-70.7	177.1	9	0	0	112.2	E454 K455 F456 L462	E454-Q458 WeakPolarHBondContact O-CG 3.48Å; E454-Q458 PolarHBondContact O-N 3.32Å; E454-Q458 PolarHBondContact OE1-NE2 3.11Å; K455-Q458 PolarHBondContact O-N 3.45Å; F456-Q458 PolarHBondContact O-N 3.3Å; Q458-L462 WeakPolarHBondContact O-CB 3.25Å; Q458-L462 PolarHBondContact O-N 3.41Å
459	K	95.8	Very high	94.9	Very high	80 Å²	80	61 Å²	61	35%	0.348	30%	0.296	S	S	.	.	H	α-helix	trans	-66.8	-43.1	-179	-76.1	176.5	171.7	-79	0	112.2	K455 F456 L462 H463 I511 L514	K455-K459 WeakPolarHBondContact O-CB 3.49Å; K455-K459 WeakPolarHBondContact O-CG 3.32Å; K455-K459 PolarHBondContact O-N 2.92Å; F456-K459 PolarHBondContact O-N 2.84Å; K459-L462 PolarHBondContact O-N 2.86Å; K459-H463 WeakPolarHBondContact O-CB 3.35Å; K459-H463 PolarHBondContact O-N 3.35Å; K459-I511 HydrophobicContact CB-CD1 4.25Å; K459-I511 HydrophobicContact CB-CG1 3.82Å; K459-L514 HydrophobicContact CD-CD1 3.65Å
460	A	96.7	Very high	95	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-49.8	176	0	0	0	0	0	111.1	F456 L462 H463 E464 I536	F456-A460 HydrophobicContact CE1-CB 4.36Å; F456-A460 HydrophobicContact CZ-CB 4.37Å; F456-A460 WeakPolarHBondContact O-CB 3.4Å; F456-A460 PolarHBondContact O-N 3.38Å; A460-L462 VanDerWaalsContact C-N 3.32Å; A460-L462 PolarHBondContact O-N 3.35Å; A460-H463 PolarHBondContact O-N 2.91Å; A460-H463 VanDerWaalsContact O-N 3.13Å; A460-E464 WeakPolarHBondContact O-CG 3.46Å; A460-E464 PolarHBondContact O-N 3.46Å; A460-I536 HydrophobicContact CB-CD1 3.74Å
461	S	96.2	Very high	95.2	Very high	54 Å²	54	59.1 Å²	59.1	38%	0.378	29%	0.287	S	S	.	.	H	α-helix	trans	-62.2	-38.2	178.8	-64.4	0	0	0	0	112.7	R457 A465 R532	R457-S461 WeakPolarHBondContact O-CB 3.32Å; R457-S461 PolarHBondContact O-N 3.39Å; R457-S461 PolarHBondContact O-OG 3.46Å; S461-A465 VanDerWaalsContact O-CB 3.31Å; S461-A465 WeakPolarHBondContact O-CB 3.42Å; S461-A465 PolarHBondContact O-N 3.22Å; S461-R532 PolarHBondContact OG-NH2 3.29Å
462	L	95.2	Very high	95.2	Very high	103 Å²	103	60.7 Å²	60.7	54%	0.539	29%	0.294	S	S	.	.	H	α-helix	trans	-67.4	-37.2	176.2	-172.2	70.3	0	0	0	111.9	Q458 K459 A460 W466	Q458-L462 WeakPolarHBondContact O-CB 3.25Å; Q458-L462 PolarHBondContact O-N 3.41Å; K459-L462 PolarHBondContact O-N 2.86Å; A460-L462 VanDerWaalsContact C-N 3.32Å; A460-L462 PolarHBondContact O-N 3.35Å; L462-W466 PolarHBondContact O-N 3.43Å
463	H	96.2	Very high	95.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-67.1	-48.8	175.6	-178	81.7	0	0	0	111.3	K459 A460 A465 W466 T467 V508 I511 I536 W540	K459-H463 WeakPolarHBondContact O-CB 3.35Å; K459-H463 PolarHBondContact O-N 3.35Å; A460-H463 PolarHBondContact O-N 2.91Å; A460-H463 VanDerWaalsContact O-N 3.13Å; H463-A465 VanDerWaalsContact C-N 3.28Å; H463-A465 PolarHBondContact O-N 3.44Å; H463-W466 CarbonylContact O-C 3.57Å; H463-W466 WeakPolarHBondContact O-CA 3.37Å; H463-W466 WeakPolarHBondContact O-CB 3.49Å; H463-W466 PolarHBondContact O-N 3.45Å; H463-T467 WeakPolarHBondContact NE2-CG2 3.37Å; H463-T467 PolarHBondContact O-N 2.92Å; H463-V508 WeakPolarHBondContact CE1-CG2 3.25Å; H463-I511 HydrophobicContact CB-CD1 3.76Å; H463-I536 VanDerWaalsContact CD2-CG2 3.49Å; H463-I536 WeakPolarHBondContact CD2-CG2 3.46Å; H463-W540 AromaticContact CE1-CE3 3.59Å; H463-W540 AromaticContact CE1-CZ3 3.69Å
464	E	95.4	Very high	95.2	Very high	59 Å²	59	63.8 Å²	63.8	28%	0.276	31%	0.308	S	S	.	.	H	α-helix	trans	-59.9	-36.4	176.1	-71	165.8	-176.8	0	0	112.7	A460 W466 T467 R468 R532 I536	A460-E464 WeakPolarHBondContact O-CG 3.46Å; A460-E464 PolarHBondContact O-N 3.46Å; E464-W466 VanDerWaalsContact C-N 3.28Å; E464-W466 PolarHBondContact O-N 2.91Å; E464-T467 WeakPolarHBondContact CA-OG1 3.41Å; E464-T467 PolarHBondContact O-N 2.65Å; E464-T467 PolarHBondContact O-OG1 3.34Å; E464-R468 PolarHBondContact O-N 3.06Å; E464-R532 VanDerWaalsContact CD-NH2 3.27Å; E464-R532 IonicContact OE1-CZ 2.99Å; E464-R532 IonicContact OE1-NE 2.91Å; E464-R532 PolarHBondContact OE1-NE 2.68Å; E464-R532 IonicContact OE1-NH2 3.78Å; E464-R532 PolarHBondContact OE1-NH2 2.93Å; E464-R532 IonicContact OE2-CZ 2.58Å; E464-R532 IonicContact OE2-NE 3.81Å; E464-R532 IonicContact OE2-NH2 3.82Å; E464-R532 PolarHBondContact OE2-NH2 3.39Å; E464-I536 HydrophobicContact CG-CD1 4.28Å; E464-I536 HydrophobicContact CG-CG1 4.23Å
465	A	95.2	Very high	95.1	Very high	56 Å²	56	63.7 Å²	63.7	46%	0.463	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-36.1	174.2	0	0	0	0	0	112	S461 H463	S461-A465 VanDerWaalsContact O-CB 3.31Å; S461-A465 WeakPolarHBondContact O-CB 3.42Å; S461-A465 PolarHBondContact O-N 3.22Å; H463-A465 VanDerWaalsContact C-N 3.28Å; H463-A465 PolarHBondContact O-N 3.44Å
466	W	95.3	Very high	95	Very high	46 Å²	46	64.5 Å²	64.5	17%	0.174	32%	0.321	C	S	.	.	H	α-helix	trans	-77.7	-33.8	177	172.3	94.2	0	0	0	112.7	L462 H463 E464 R468 K470 D500 L501 H504 W540	L462-W466 PolarHBondContact O-N 3.43Å; H463-W466 CarbonylContact O-C 3.57Å; H463-W466 WeakPolarHBondContact O-CA 3.37Å; H463-W466 WeakPolarHBondContact O-CB 3.49Å; H463-W466 PolarHBondContact O-N 3.45Å; E464-W466 VanDerWaalsContact C-N 3.28Å; E464-W466 PolarHBondContact O-N 2.91Å; W466-R468 VanDerWaalsContact C-N 3.3Å; W466-R468 PolarHBondContact O-N 2.63Å; W466-K470 HydrophobicContact CD2-CD 4.14Å; W466-K470 VanDerWaalsContact CE2-CE 3.45Å; W466-K470 HydrophobicContact CE3-CD 4.1Å; W466-K470 HydrophobicContact CH2-CD 4.17Å; W466-K470 HydrophobicContact CZ2-CD 4.28Å; W466-K470 HydrophobicContact CZ3-CD 4.07Å; W466-K470 WeakPolarHBondContact O-CD 3.49Å; W466-K470 WeakPolarHBondContact O-CE 3.36Å; W466-K470 WeakPolarHBondContact O-CG 3.46Å; W466-D500 WeakPolarHBondContact CZ2-OD2 3.49Å; W466-D500 PolarHBondContact NE1-OD2 2.93Å; W466-L501 HydrophobicContact CH2-CD1 3.71Å; W466-L501 HydrophobicContact CZ3-CD1 4.44Å; W466-H504 AromaticContact CD1-CE1 3.33Å; W466-H504 AromaticContact CD1-NE2 3.77Å; W466-H504 AromaticContact CD2-CE1 3.48Å; W466-H504 VanDerWaalsContact CD2-CE1 3.48Å; W466-H504 AromaticContact CD2-ND1 3.4Å; W466-H504 AromaticContact CE2-CD2 3.71Å; W466-H504 AromaticContact CE2-CE1 3.28Å; W466-H504 AromaticContact CE2-CG 3.59Å; W466-H504 AromaticContact CE2-ND1 3.31Å; W466-H504 VanDerWaalsContact CE2-ND1 3.31Å; W466-H504 AromaticContact CE2-NE2 3.58Å; W466-H504 AromaticContact CE3-ND1 3.79Å; W466-H504 AromaticContact CG-CE1 3.45Å; W466-H504 VanDerWaalsContact CG-CE1 3.45Å; W466-H504 AromaticContact CG-ND1 3.83Å; W466-H504 HydrophobicContact CH2-CB 3.81Å; W466-H504 AromaticContact CH2-CG 3.89Å; W466-H504 HydrophobicContact CZ2-CB 3.82Å; W466-H504 AromaticContact CZ2-CD2 3.66Å; W466-H504 AromaticContact CZ2-CE1 3.96Å; W466-H504 AromaticContact CZ2-CG 3.43Å; W466-H504 VanDerWaalsContact CZ2-CG 3.43Å; W466-H504 AromaticContact CZ2-ND1 3.64Å; W466-H504 HydrophobicContact CZ3-CB 4.33Å; W466-H504 AromaticContact NE1-CD2 3.84Å; W466-H504 AromaticContact NE1-CE1 3.21Å; W466-H504 PolarHBondContact NE1-CE1 3.12Å; W466-H504 AromaticContact NE1-ND1 3.77Å; W466-H504 AromaticContact NE1-NE2 3.29Å; W466-H504 PolarHBondContact NE1-NE2 2.84Å; W466-W540 HydrophobicContact CH2-CH2 4.3Å; W466-W540 AromaticContact CH2-CZ3 3.71Å; W466-W540 HydrophobicContact CH2-CZ3 3.71Å; W466-W540 HydrophobicContact CZ3-CE3 4.33Å; W466-W540 AromaticContact CZ3-CZ3 3.62Å; W466-W540 HydrophobicContact CZ3-CZ3 3.62Å
467	T	95.1	Very high	94.8	Very high	3 Å²	3	71.8 Å²	71.8	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-73.3	-22.2	177.3	57	0	0	0	0	113.2	H463 E464 G469 K470 Q539 L543	H463-T467 WeakPolarHBondContact NE2-CG2 3.37Å; H463-T467 PolarHBondContact O-N 2.92Å; E464-T467 WeakPolarHBondContact CA-OG1 3.41Å; E464-T467 PolarHBondContact O-N 2.65Å; E464-T467 PolarHBondContact O-OG1 3.34Å; T467-G469 PolarHBondContact O-N 2.96Å; T467-K470 WeakPolarHBondContact O-CB 3.28Å; T467-K470 PolarHBondContact O-N 3.3Å; T467-Q539 PolarHBondContact OG1-OE1 3.18Å; T467-L543 HydrophobicContact CG2-CD1 3.78Å
468	R	95.3	Very high	94.5	Very high	201 Å²	201	68.6 Å²	68.6	76%	0.758	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	123.6	-179.2	-167.2	-177.9	-55.5	-113.2	-4.7	112.3	E464 W466 K470	E464-R468 PolarHBondContact O-N 3.06Å; W466-R468 VanDerWaalsContact C-N 3.3Å; W466-R468 PolarHBondContact O-N 2.63Å; R468-K470 PolarHBondContact O-N 3.31Å
469	G	92.9	Very high	94.3	Very high	34 Å²	34	64.2 Å²	64.2	35%	0.351	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-7.9	178.7	0	0	0	0	0	115.2	T467 E472 M473	T467-G469 PolarHBondContact O-N 2.96Å; G469-E472 PolarHBondContact O-N 3.43Å; G469-M473 WeakPolarHBondContact O-CB 3.14Å; G469-M473 PolarHBondContact O-N 3.33Å
470	K	94.6	Very high	93.8	Very high	23 Å²	23	63.5 Å²	63.5	10%	0.1	32%	0.318	C	S	.	.	H	α-helix	trans	-68.3	-37.6	178.8	-67.9	-169.5	165.1	-142.8	0	112.3	W466 T467 R468 M473 L474 F497 D500 L543	W466-K470 HydrophobicContact CD2-CD 4.14Å; W466-K470 VanDerWaalsContact CE2-CE 3.45Å; W466-K470 HydrophobicContact CE3-CD 4.1Å; W466-K470 HydrophobicContact CH2-CD 4.17Å; W466-K470 HydrophobicContact CZ2-CD 4.28Å; W466-K470 HydrophobicContact CZ3-CD 4.07Å; W466-K470 WeakPolarHBondContact O-CD 3.49Å; W466-K470 WeakPolarHBondContact O-CE 3.36Å; W466-K470 WeakPolarHBondContact O-CG 3.46Å; T467-K470 WeakPolarHBondContact O-CB 3.28Å; T467-K470 PolarHBondContact O-N 3.3Å; R468-K470 PolarHBondContact O-N 3.31Å; K470-M473 PolarHBondContact O-N 3.35Å; K470-L474 WeakPolarHBondContact O-CB 3.33Å; K470-L474 VanDerWaalsContact O-CG 3.27Å; K470-L474 WeakPolarHBondContact O-CG 3.35Å; K470-L474 PolarHBondContact O-N 3.03Å; K470-F497 HydrophobicContact CB-CE2 4.3Å; K470-F497 HydrophobicContact CB-CZ 4.3Å; K470-F497 HydrophobicContact CD-CE2 3.62Å; K470-F497 HydrophobicContact CD-CZ 4Å; K470-F497 HydrophobicContact CG-CE2 4.02Å; K470-F497 HydrophobicContact CG-CZ 4.45Å; K470-D500 IonicContact NZ-OD2 3.58Å; K470-D500 PolarHBondContact NZ-OD2 2.87Å; K470-L543 HydrophobicContact CB-CD2 3.87Å
471	E	94.4	Very high	93.3	Very high	60 Å²	60	67.6 Å²	67.6	28%	0.28	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-42.1	175.7	-67.3	-174.1	155.3	0	0	112.2	L474 S475 N542 L543 L546	E471-L474 PolarHBondContact O-N 3.23Å; E471-S475 WeakPolarHBondContact O-CB 3.41Å; E471-S475 PolarHBondContact O-N 3.05Å; E471-S475 PolarHBondContact O-OG 2.84Å; E471-N542 PolarHBondContact OE1-ND2 3.3Å; E471-L543 HydrophobicContact CB-CD2 4.4Å; E471-L543 HydrophobicContact CG-CD2 3.54Å; E471-L543 HydrophobicContact CG-CG 4.11Å; E471-L546 HydrophobicContact CB-CD1 4.24Å; E471-L546 HydrophobicContact CG-CD1 4.27Å
472	E	93.6	Very high	92.9	Very high	144 Å²	144	65.6 Å²	65.6	67%	0.673	33%	0.334	S	S	*	.	H	α-helix	trans	-63.2	-46.8	176.4	-68.2	164.8	175.9	0	0	110.4	G469 L474 S475 Q476	G469-E472 PolarHBondContact O-N 3.43Å; E472-L474 VanDerWaalsContact C-N 3.35Å; E472-L474 PolarHBondContact O-N 3.44Å; E472-S475 PolarHBondContact O-N 2.94Å; E472-S475 VanDerWaalsContact O-N 3.17Å; E472-Q476 WeakPolarHBondContact O-CG 3.43Å; E472-Q476 PolarHBondContact O-N 3.43Å
473	M	93.4	Very high	92.5	Very high	73 Å²	73	66 Å²	66	36%	0.36	34%	0.336	S	S	.	.	H	α-helix	trans	-57.7	-45	175.3	-174	-157.9	74.4	0	0	111.9	G469 K470 S475 Q476 F497	G469-M473 WeakPolarHBondContact O-CB 3.14Å; G469-M473 PolarHBondContact O-N 3.33Å; K470-M473 PolarHBondContact O-N 3.35Å; M473-S475 VanDerWaalsContact C-N 3.28Å; M473-S475 PolarHBondContact O-N 2.98Å; M473-Q476 PolarHBondContact O-N 2.98Å; M473-F497 HydrophobicContact CE-CD1 4.45Å; M473-F497 HydrophobicContact CE-CD2 3.6Å; M473-F497 HydrophobicContact CE-CE1 4.48Å; M473-F497 HydrophobicContact CE-CE2 3.58Å; M473-F497 HydrophobicContact CE-CG 4.03Å; M473-F497 HydrophobicContact CE-CZ 4.06Å
474	L	95.1	Very high	92.3	Very high	7 Å²	7	66.9 Å²	66.9	4%	0.037	34%	0.34	C	S	.	.	H	α-helix	trans	-68.3	-27.9	178.9	-71.7	173.1	0	0	0	112.9	K470 E471 E472 F497 L543 L546 T547 R550	K470-L474 WeakPolarHBondContact O-CB 3.33Å; K470-L474 VanDerWaalsContact O-CG 3.27Å; K470-L474 WeakPolarHBondContact O-CG 3.35Å; K470-L474 PolarHBondContact O-N 3.03Å; E471-L474 PolarHBondContact O-N 3.23Å; E472-L474 VanDerWaalsContact C-N 3.35Å; E472-L474 PolarHBondContact O-N 3.44Å; L474-F497 HydrophobicContact CD1-CE1 3.99Å; L474-F497 HydrophobicContact CD1-CZ 4.04Å; L474-F497 HydrophobicContact CD2-CD1 4.19Å; L474-F497 HydrophobicContact CD2-CE1 3.78Å; L474-F497 HydrophobicContact CD2-CZ 4.27Å; L474-F497 HydrophobicContact CG-CE1 4.21Å; L474-F497 HydrophobicContact CG-CZ 4.26Å; L474-L543 HydrophobicContact CD1-CD2 3.68Å; L474-L546 HydrophobicContact CB-CB 4.04Å; L474-L546 HydrophobicContact CD1-CB 3.97Å; L474-T547 VanDerWaalsContact CD1-OG1 3.31Å; L474-T547 WeakPolarHBondContact CD1-OG1 3.4Å; L474-R550 WeakPolarHBondContact O-CD 3.38Å
475	S	93.4	Very high	92	Very high	70 Å²	70	70.3 Å²	70.3	49%	0.49	36%	0.357	S	S	.	.	H	α-helix	trans	-84.9	-9	-179.6	-57.1	0	0	0	0	113.6	E471 E472 M473	E471-S475 WeakPolarHBondContact O-CB 3.41Å; E471-S475 PolarHBondContact O-N 3.05Å; E471-S475 PolarHBondContact O-OG 2.84Å; E472-S475 PolarHBondContact O-N 2.94Å; E472-S475 VanDerWaalsContact O-N 3.17Å; M473-S475 VanDerWaalsContact C-N 3.28Å; M473-S475 PolarHBondContact O-N 2.98Å
476	Q	92.5	Very high	91.9	Very high	103 Å²	103	72.5 Å²	72.5	48%	0.481	36%	0.357	S	S	.	.			trans	-62	146.5	176.2	-74.6	173.8	8.2	0	0	111.2	E472 M473 R550	E472-Q476 WeakPolarHBondContact O-CG 3.43Å; E472-Q476 PolarHBondContact O-N 3.43Å; M473-Q476 PolarHBondContact O-N 2.98Å; Q476-R550 PolarHBondContact O-NH1 2.96Å
477	R	91.8	Very high	91.9	Very high	160 Å²	160	70.3 Å²	70.3	60%	0.604	35%	0.349	S	S	*	.			trans	-114.5	39.2	177.4	-53.8	-167.6	71.6	-168.1	-8.9	111.5	Y479 D480	R477-Y479 PolarHBondContact O-N 2.81Å; R477-D480 IonicContact CZ-OD2 3.25Å; R477-D480 IonicContact NE-OD2 3.22Å; R477-D480 PolarHBondContact NE-OD2 3.22Å; R477-D480 VanDerWaalsContact NE-OD2 3.13Å; R477-D480 IonicContact NH1-OD2 2.96Å; R477-D480 IonicContact NH2-OD1 3.3Å; R477-D480 IonicContact NH2-OD2 2.99Å; R477-D480 PolarHBondContact NH2-OD2 3.04Å; R477-D480 VanDerWaalsContact NH2-OD2 3.1Å; R477-D480 PolarHBondContact O-N 3.11Å; R477-D480 VanDerWaalsContact O-N 3.15Å
478	D	90.9	Very high	91.9	Very high	49 Å²	49	73.4 Å²	73.4	26%	0.262	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-58	-26	177.5	54.8	-29.5	0	0	0	113.6	D480 L490 R550	D478-D480 VanDerWaalsContact C-N 3.34Å; D478-D480 PolarHBondContact O-N 3.3Å; D478-L490 VanDerWaalsContact OD2-CD2 3.25Å; D478-L490 WeakPolarHBondContact OD2-CD2 3.43Å; D478-R550 VanDerWaalsContact CG-NH2 3.29Å; D478-R550 IonicContact OD1-CZ 3.9Å; D478-R550 VanDerWaalsContact OD1-CZ 3.27Å; D478-R550 IonicContact OD1-NH1 2.67Å; D478-R550 PolarHBondContact OD1-NH1 3.38Å; D478-R550 IonicContact OD1-NH2 3.12Å; D478-R550 PolarHBondContact OD1-NH2 3.26Å; D478-R550 IonicContact OD2-NH2 3.96Å; D478-R550 PolarHBondContact OD2-NH2 3.42Å
479	Y	90.7	Very high	91.9	Very high	23 Å²	23	65.6 Å²	65.6	9%	0.09	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-72.5	-19.1	176.1	55.3	-97.3	0	0	0	114.8	R477 S481 A482 A553 L554 M557	R477-Y479 PolarHBondContact O-N 2.81Å; Y479-S481 VanDerWaalsContact C-N 3.27Å; Y479-S481 PolarHBondContact O-N 2.82Å; Y479-A482 PolarHBondContact O-N 2.94Å; Y479-A553 HydrophobicContact CE1-CB 4.2Å; Y479-A553 HydrophobicContact CE2-CB 3.87Å; Y479-A553 WeakPolarHBondContact OH-CB 3.43Å; Y479-L554 HydrophobicContact CD1-CD2 3.79Å; Y479-L554 HydrophobicContact CD1-CG 4.18Å; Y479-L554 HydrophobicContact CG-CD2 3.87Å; Y479-M557 HydrophobicContact CD2-CB 4.4Å; Y479-M557 HydrophobicContact CD2-CE 4.26Å
480	D	87.1	Confident	92	Very high	65 Å²	65	64.8 Å²	64.8	35%	0.348	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-68.9	-25.7	-178.8	-73.3	-20.5	0	0	0	112.5	R477 D478	R477-D480 IonicContact CZ-OD2 3.25Å; R477-D480 IonicContact NE-OD2 3.22Å; R477-D480 PolarHBondContact NE-OD2 3.22Å; R477-D480 VanDerWaalsContact NE-OD2 3.13Å; R477-D480 IonicContact NH1-OD2 2.96Å; R477-D480 IonicContact NH2-OD1 3.3Å; R477-D480 IonicContact NH2-OD2 2.99Å; R477-D480 PolarHBondContact NH2-OD2 3.04Å; R477-D480 VanDerWaalsContact NH2-OD2 3.1Å; R477-D480 PolarHBondContact O-N 3.11Å; R477-D480 VanDerWaalsContact O-N 3.15Å; D478-D480 VanDerWaalsContact C-N 3.34Å; D478-D480 PolarHBondContact O-N 3.3Å
481	S	84.1	Confident	92	Very high	86 Å²	86	64.5 Å²	64.5	60%	0.601	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-109.1	0.1	179.4	56.9	0	0	0	0	114.4	Y479	Y479-S481 VanDerWaalsContact C-N 3.27Å; Y479-S481 PolarHBondContact O-N 2.82Å
482	A	88	Confident	92.1	Very high	13 Å²	13	70.5 Å²	70.5	11%	0.107	35%	0.346	C	S	.	.			trans	-85.4	150	-172.3	0	0	0	0	0	112.4	Y479 E486 V487 L490	Y479-A482 PolarHBondContact O-N 2.94Å; A482-E486 WeakPolarHBondContact CA-OE2 3.41Å; A482-E486 HydrophobicContact CB-CB 3.94Å; A482-V487 HydrophobicContact CB-CG2 3.64Å; A482-L490 HydrophobicContact CB-CD1 4.45Å
483	L	88.4	Confident	92.1	Very high	112 Å²	112	71.7 Å²	71.7	59%	0.586	34%	0.344	S	S	*	.			trans	-77.3	164.2	171.6	-64	172.3	0	0	0	111.3	Q485 E486 V487	L483-Q485 VanDerWaalsContact C-N 3.31Å; L483-Q485 PolarHBondContact O-N 3.5Å; L483-E486 HydrophobicContact CB-CG 4.33Å; L483-E486 PolarHBondContact N-OE2 3.3Å; L483-E486 WeakPolarHBondContact O-CA 3.38Å; L483-E486 WeakPolarHBondContact O-CB 3.49Å; L483-E486 PolarHBondContact O-N 2.88Å; L483-V487 PolarHBondContact O-N 2.93Å
484	L	90.2	Very high	92.2	Very high	17 Å²	17	68.5 Å²	68.5	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-51.8	-46.1	-176.9	177.4	59	0	0	0	113.2	E486 V487 R488 E558 L561 E562 D565	L484-E486 VanDerWaalsContact C-N 3.33Å; L484-E486 PolarHBondContact O-N 3.25Å; L484-V487 PolarHBondContact O-N 2.96Å; L484-R488 WeakPolarHBondContact O-CG 3.48Å; L484-R488 PolarHBondContact O-N 2.82Å; L484-E558 HydrophobicContact CD1-CG 4.02Å; L484-L561 HydrophobicContact CB-CB 4.13Å; L484-L561 HydrophobicContact CD1-CB 3.85Å; L484-E562 HydrophobicContact CD1-CB 4.36Å; L484-D565 HydrophobicContact CD2-CB 4.01Å
485	Q	91.1	Very high	92.3	Very high	132 Å²	132	72.9 Å²	72.9	62%	0.617	35%	0.349	S	S	*	.	H	α-helix	trans	-68.8	-32.5	179.7	-62.7	-60	-30.6	0	0	112.6	L483 A489	L483-Q485 VanDerWaalsContact C-N 3.31Å; L483-Q485 PolarHBondContact O-N 3.5Å; Q485-A489 WeakPolarHBondContact O-CB 3.42Å; Q485-A489 PolarHBondContact O-N 3.08Å
486	E	93.3	Very high	92.3	Very high	102 Å²	102	72.7 Å²	72.7	48%	0.477	35%	0.351	S	S	.	.	H	α-helix	trans	-70.8	-43.4	176.4	-64.1	174.3	162.6	0	0	110.6	A482 L483 L484 R488 A489 L490	A482-E486 WeakPolarHBondContact CA-OE2 3.41Å; A482-E486 HydrophobicContact CB-CB 3.94Å; L483-E486 HydrophobicContact CB-CG 4.33Å; L483-E486 PolarHBondContact N-OE2 3.3Å; L483-E486 WeakPolarHBondContact O-CA 3.38Å; L483-E486 WeakPolarHBondContact O-CB 3.49Å; L483-E486 PolarHBondContact O-N 2.88Å; L484-E486 VanDerWaalsContact C-N 3.33Å; L484-E486 PolarHBondContact O-N 3.25Å; E486-R488 VanDerWaalsContact C-N 3.35Å; E486-R488 PolarHBondContact O-N 3.32Å; E486-A489 CarbonylContact O-C 3.54Å; E486-A489 WeakPolarHBondContact O-CB 3.27Å; E486-A489 PolarHBondContact O-N 3.21Å; E486-A489 VanDerWaalsContact O-N 3.14Å; E486-L490 WeakPolarHBondContact O-CG 3.34Å; E486-L490 PolarHBondContact O-N 2.72Å
487	V	94.8	Very high	92.5	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-44.2	173.8	176.8	0	0	0	0	110.7	A482 L483 L484 A489 L490 L491 L554 M557 E558 L561	A482-V487 HydrophobicContact CB-CG2 3.64Å; L483-V487 PolarHBondContact O-N 2.93Å; L484-V487 PolarHBondContact O-N 2.96Å; V487-A489 VanDerWaalsContact C-N 3.31Å; V487-A489 PolarHBondContact O-N 2.74Å; V487-L490 WeakPolarHBondContact O-CB 3.42Å; V487-L490 PolarHBondContact O-N 3Å; V487-L490 VanDerWaalsContact O-N 3.13Å; V487-L491 PolarHBondContact O-N 2.97Å; V487-L554 HydrophobicContact CG1-CD2 4.32Å; V487-M557 HydrophobicContact CG1-CB 4.4Å; V487-M557 HydrophobicContact CG1-CG 4.42Å; V487-M557 HydrophobicContact CG2-CG 4.08Å; V487-E558 HydrophobicContact CG1-CB 4.04Å; V487-L561 HydrophobicContact CB-CD1 4.47Å; V487-L561 HydrophobicContact CG2-CD1 3.79Å
488	R	94.8	Very high	92.7	Very high	68 Å²	68	62.8 Å²	62.8	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-58.5	-41	173.2	-79.8	176.7	170.5	165.3	1.7	112.8	L484 E486 L491 R492 E558 E562	L484-R488 WeakPolarHBondContact O-CG 3.48Å; L484-R488 PolarHBondContact O-N 2.82Å; E486-R488 VanDerWaalsContact C-N 3.35Å; E486-R488 PolarHBondContact O-N 3.32Å; R488-L491 PolarHBondContact O-N 2.91Å; R488-R492 PolarHBondContact O-N 3.47Å; R488-R492 VanDerWaalsContact O-N 3.12Å; R488-E558 HydrophobicContact CG-CG 4.18Å; R488-E558 WeakPolarHBondContact CG-OE1 3.38Å; R488-E558 IonicContact CZ-OE1 3.28Å; R488-E558 IonicContact NE-OE1 3.9Å; R488-E558 PolarHBondContact NE-OE1 3.13Å; R488-E558 IonicContact NH2-OE1 2.71Å; R488-E562 IonicContact NH2-OE1 3.96Å; R488-E562 PolarHBondContact NH2-OE1 3.43Å
489	A	94.6	Very high	92.9	Very high	37 Å²	37	64.5 Å²	64.5	31%	0.306	33%	0.327	S	S	.	.	H	α-helix	trans	-67.9	-37	175.7	0	0	0	0	0	112.3	Q485 E486 V487 R493	Q485-A489 WeakPolarHBondContact O-CB 3.42Å; Q485-A489 PolarHBondContact O-N 3.08Å; E486-A489 CarbonylContact O-C 3.54Å; E486-A489 WeakPolarHBondContact O-CB 3.27Å; E486-A489 PolarHBondContact O-N 3.21Å; E486-A489 VanDerWaalsContact O-N 3.14Å; V487-A489 VanDerWaalsContact C-N 3.31Å; V487-A489 PolarHBondContact O-N 2.74Å; A489-R493 WeakPolarHBondContact O-CG 3.32Å; A489-R493 PolarHBondContact O-N 3.43Å; A489-R493 VanDerWaalsContact O-N 3.08Å
490	L	95.3	Very high	93.1	Very high	16 Å²	16	66.4 Å²	66.4	8%	0.084	34%	0.339	C	S	.	.	H	α-helix	trans	-64.6	-40.4	173	-70.8	173.8	0	0	0	111.4	D478 A482 E486 V487 R493 H494 L554	D478-L490 VanDerWaalsContact OD2-CD2 3.25Å; D478-L490 WeakPolarHBondContact OD2-CD2 3.43Å; A482-L490 HydrophobicContact CB-CD1 4.45Å; E486-L490 WeakPolarHBondContact O-CG 3.34Å; E486-L490 PolarHBondContact O-N 2.72Å; V487-L490 WeakPolarHBondContact O-CB 3.42Å; V487-L490 PolarHBondContact O-N 3Å; V487-L490 VanDerWaalsContact O-N 3.13Å; L490-R493 PolarHBondContact O-N 3.37Å; L490-H494 WeakPolarHBondContact O-CB 3.46Å; L490-H494 PolarHBondContact O-N 3.28Å; L490-L554 HydrophobicContact CB-CD2 3.98Å; L490-L554 HydrophobicContact CD1-CD2 4.43Å
491	L	95.5	Very high	93.4	Very high	18 Å²	18	64.2 Å²	64.2	9%	0.094	33%	0.327	C	S	.	.	H	α-helix	trans	-61.9	-46.4	177.6	-135.5	139.9	0	0	0	111.2	V487 R488 R493 H494 E495 L554 E555 E558	V487-L491 PolarHBondContact O-N 2.97Å; R488-L491 PolarHBondContact O-N 2.91Å; L491-R493 PolarHBondContact O-N 2.96Å; L491-H494 CarbonylContact O-C 3.48Å; L491-H494 WeakPolarHBondContact O-CA 3.37Å; L491-H494 WeakPolarHBondContact O-CB 3.24Å; L491-H494 PolarHBondContact O-N 2.8Å; L491-H494 VanDerWaalsContact O-N 3.11Å; L491-E495 WeakPolarHBondContact O-CG 3.49Å; L491-E495 PolarHBondContact O-N 2.98Å; L491-L554 HydrophobicContact CD1-CB 3.88Å; L491-L554 HydrophobicContact CG-CB 4.18Å; L491-E555 HydrophobicContact CD1-CG 4.12Å; L491-E555 HydrophobicContact CD2-CG 4.39Å; L491-E558 HydrophobicContact CD1-CB 4.33Å; L491-E558 WeakPolarHBondContact CD1-OE2 3.36Å
492	R	95	Very high	93.9	Very high	186 Å²	186	63.4 Å²	63.4	70%	0.702	33%	0.325	S	S	*	.	H	α-helix	trans	-61.7	-39.5	173.4	-70.2	-176.8	-175.3	162.8	2.8	113.3	R488 H494 E495 A496	R488-R492 PolarHBondContact O-N 3.47Å; R488-R492 VanDerWaalsContact O-N 3.12Å; R492-H494 VanDerWaalsContact C-N 3.29Å; R492-E495 PolarHBondContact O-N 2.89Å; R492-A496 PolarHBondContact O-N 3.44Å; R492-A496 VanDerWaalsContact O-N 3.1Å
493	R	94.3	Very high	94.1	Very high	168 Å²	168	66.1 Å²	66.1	63%	0.634	35%	0.348	S	S	*	.	H	α-helix	trans	-64.6	-37.5	174.2	-78.3	-173.5	-117.3	158.1	-2.4	111.3	A489 L490 L491 A496 F497	A489-R493 WeakPolarHBondContact O-CG 3.32Å; A489-R493 PolarHBondContact O-N 3.43Å; A489-R493 VanDerWaalsContact O-N 3.08Å; L490-R493 PolarHBondContact O-N 3.37Å; L491-R493 PolarHBondContact O-N 2.96Å; R493-A496 PolarHBondContact O-N 2.93Å; R493-F497 PolarHBondContact O-N 3.03Å
494	H	96.4	Very high	94.4	Very high	7 Å²	7	61.6 Å²	61.6	3%	0.032	32%	0.324	C	S	.	.	H	α-helix	trans	-67.8	-41.1	176.5	-170.5	80.1	0	0	0	111.7	L490 L491 R492 A496 F497 E498 T547 L554	L490-H494 WeakPolarHBondContact O-CB 3.46Å; L490-H494 PolarHBondContact O-N 3.28Å; L491-H494 CarbonylContact O-C 3.48Å; L491-H494 WeakPolarHBondContact O-CA 3.37Å; L491-H494 WeakPolarHBondContact O-CB 3.24Å; L491-H494 PolarHBondContact O-N 2.8Å; L491-H494 VanDerWaalsContact O-N 3.11Å; R492-H494 VanDerWaalsContact C-N 3.29Å; H494-A496 VanDerWaalsContact C-N 3.34Å; H494-A496 PolarHBondContact O-N 2.83Å; H494-F497 CarbonylContact O-C 3.57Å; H494-F497 WeakPolarHBondContact O-CA 3.29Å; H494-F497 WeakPolarHBondContact O-CB 3.28Å; H494-F497 PolarHBondContact O-N 3.22Å; H494-F497 VanDerWaalsContact O-N 3.11Å; H494-E498 IonicContact CD2-OE1 3.3Å; H494-E498 PolarHBondContact CD2-OE1 3.47Å; H494-E498 IonicContact NE2-OE1 2.74Å; H494-E498 PolarHBondContact NE2-OE1 2.86Å; H494-E498 PolarHBondContact O-N 2.96Å; H494-T547 PolarHBondContact CE1-O 2.81Å; H494-T547 WeakPolarHBondContact NE2-CG2 3.47Å; H494-T547 PolarHBondContact NE2-O 3.37Å; H494-T547 VanDerWaalsContact NE2-O 3.15Å; H494-L554 HydrophobicContact CB-CD1 3.94Å
495	E	95.8	Very high	94.6	Very high	99 Å²	99	64.2 Å²	64.2	46%	0.463	34%	0.336	S	S	.	.	H	α-helix	trans	-59.5	-42.4	172.2	-71.6	173.4	165.3	0	0	112.2	L491 R492 F497 E498 S499	L491-E495 WeakPolarHBondContact O-CG 3.49Å; L491-E495 PolarHBondContact O-N 2.98Å; R492-E495 PolarHBondContact O-N 2.89Å; E495-F497 VanDerWaalsContact C-N 3.29Å; E495-F497 PolarHBondContact O-N 3.15Å; E495-E498 PolarHBondContact O-N 2.91Å; E495-S499 PolarHBondContact O-N 3.37Å
496	A	94.6	Very high	94.7	Very high	66 Å²	66	62.8 Å²	62.8	55%	0.545	33%	0.333	S	S	.	.	H	α-helix	trans	-62.6	-38.4	174.6	0	0	0	0	0	111.8	R492 R493 H494 S499 D500	R492-A496 PolarHBondContact O-N 3.44Å; R492-A496 VanDerWaalsContact O-N 3.1Å; R493-A496 PolarHBondContact O-N 2.93Å; H494-A496 VanDerWaalsContact C-N 3.34Å; H494-A496 PolarHBondContact O-N 2.83Å; A496-S499 PolarHBondContact O-N 3.27Å; A496-D500 PolarHBondContact O-N 3.37Å
497	F	96.3	Very high	94.8	Very high	22 Å²	22	61.6 Å²	61.6	10%	0.096	32%	0.324	C	S	.	.	H	α-helix	trans	-65.7	-40.9	173.1	176.2	-90.3	0	0	0	112.4	K470 M473 L474 R493 H494 E495 S499 D500 L501 T547	K470-F497 HydrophobicContact CB-CE2 4.3Å; K470-F497 HydrophobicContact CB-CZ 4.3Å; K470-F497 HydrophobicContact CD-CE2 3.62Å; K470-F497 HydrophobicContact CD-CZ 4Å; K470-F497 HydrophobicContact CG-CE2 4.02Å; K470-F497 HydrophobicContact CG-CZ 4.45Å; M473-F497 HydrophobicContact CE-CD1 4.45Å; M473-F497 HydrophobicContact CE-CD2 3.6Å; M473-F497 HydrophobicContact CE-CE1 4.48Å; M473-F497 HydrophobicContact CE-CE2 3.58Å; M473-F497 HydrophobicContact CE-CG 4.03Å; M473-F497 HydrophobicContact CE-CZ 4.06Å; L474-F497 HydrophobicContact CD1-CE1 3.99Å; L474-F497 HydrophobicContact CD1-CZ 4.04Å; L474-F497 HydrophobicContact CD2-CD1 4.19Å; L474-F497 HydrophobicContact CD2-CE1 3.78Å; L474-F497 HydrophobicContact CD2-CZ 4.27Å; L474-F497 HydrophobicContact CG-CE1 4.21Å; L474-F497 HydrophobicContact CG-CZ 4.26Å; R493-F497 PolarHBondContact O-N 3.03Å; H494-F497 CarbonylContact O-C 3.57Å; H494-F497 WeakPolarHBondContact O-CA 3.29Å; H494-F497 WeakPolarHBondContact O-CB 3.28Å; H494-F497 PolarHBondContact O-N 3.22Å; H494-F497 VanDerWaalsContact O-N 3.11Å; E495-F497 VanDerWaalsContact C-N 3.29Å; E495-F497 PolarHBondContact O-N 3.15Å; F497-S499 VanDerWaalsContact C-N 3.29Å; F497-S499 PolarHBondContact O-N 2.86Å; F497-D500 PolarHBondContact O-N 3.05Å; F497-L501 HydrophobicContact CE1-CB 4.45Å; F497-L501 HydrophobicContact CE1-CD2 4.26Å; F497-L501 VanDerWaalsContact O-CB 3.3Å; F497-L501 WeakPolarHBondContact O-CB 3.35Å; F497-L501 PolarHBondContact O-N 3.06Å; F497-T547 HydrophobicContact CD1-CG2 4.31Å; F497-T547 HydrophobicContact CE1-CG2 4.27Å
498	E	96.2	Very high	94.9	Very high	33 Å²	33	62 Å²	62	15%	0.154	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-39.4	175.3	-74.6	-174.7	168.4	0	0	111.6	H494 E495 L501 A502 T547 R551	H494-E498 IonicContact CD2-OE1 3.3Å; H494-E498 PolarHBondContact CD2-OE1 3.47Å; H494-E498 IonicContact NE2-OE1 2.74Å; H494-E498 PolarHBondContact NE2-OE1 2.86Å; H494-E498 PolarHBondContact O-N 2.96Å; E495-E498 PolarHBondContact O-N 2.91Å; E498-L501 PolarHBondContact O-N 3.36Å; E498-A502 WeakPolarHBondContact O-CB 3.38Å; E498-A502 PolarHBondContact O-N 3.04Å; E498-T547 HydrophobicContact CG-CG2 3.54Å; E498-R551 WeakPolarHBondContact OE1-CD 3.38Å; E498-R551 IonicContact OE1-NH1 3.25Å; E498-R551 IonicContact OE2-CZ 2.99Å; E498-R551 IonicContact OE2-NH1 2.87Å; E498-R551 PolarHBondContact OE2-NH1 2.85Å
499	S	94.9	Very high	94.9	Very high	84 Å²	84	63.8 Å²	63.8	59%	0.587	34%	0.337	S	S	*	.	H	α-helix	trans	-65.9	-41.4	174.1	-172.6	0	0	0	0	112.6	E495 A496 F497 A502 A503	E495-S499 PolarHBondContact O-N 3.37Å; A496-S499 PolarHBondContact O-N 3.27Å; F497-S499 VanDerWaalsContact C-N 3.29Å; F497-S499 PolarHBondContact O-N 2.86Å; S499-A502 PolarHBondContact O-N 3.37Å; S499-A503 PolarHBondContact O-N 3.16Å
500	D	93.8	Very high	95	Very high	64 Å²	64	67 Å²	67	34%	0.342	35%	0.346	S	S	.	.	H	α-helix	trans	-64.4	-42	174.4	-177.8	60.2	0	0	0	111.2	W466 K470 A496 F497 A503 H504	W466-D500 WeakPolarHBondContact CZ2-OD2 3.49Å; W466-D500 PolarHBondContact NE1-OD2 2.93Å; K470-D500 IonicContact NZ-OD2 3.58Å; K470-D500 PolarHBondContact NZ-OD2 2.87Å; A496-D500 PolarHBondContact O-N 3.37Å; F497-D500 PolarHBondContact O-N 3.05Å; D500-A503 PolarHBondContact O-N 3Å; D500-H504 PolarHBondContact O-CD2 3.39Å; D500-H504 VanDerWaalsContact O-CD2 3.25Å; D500-H504 PolarHBondContact O-N 3.46Å; D500-H504 IonicContact OD1-NE2 3.27Å
501	L	94.8	Very high	95	Very high	19 Å²	19	66.3 Å²	66.3	10%	0.099	34%	0.342	C	S	.	.	H	α-helix	trans	-59.2	-49.3	174.7	-176.9	66.7	0	0	0	110.4	W466 F497 E498 A503 H504 W540 T547	W466-L501 HydrophobicContact CH2-CD1 3.71Å; W466-L501 HydrophobicContact CZ3-CD1 4.44Å; F497-L501 HydrophobicContact CE1-CB 4.45Å; F497-L501 HydrophobicContact CE1-CD2 4.26Å; F497-L501 VanDerWaalsContact O-CB 3.3Å; F497-L501 WeakPolarHBondContact O-CB 3.35Å; F497-L501 PolarHBondContact O-N 3.06Å; E498-L501 PolarHBondContact O-N 3.36Å; L501-A503 VanDerWaalsContact C-N 3.3Å; L501-A503 PolarHBondContact O-N 2.9Å; L501-H504 PolarHBondContact O-N 2.77Å; L501-W540 HydrophobicContact CD1-CE3 4.22Å; L501-W540 HydrophobicContact CD1-CH2 3.59Å; L501-W540 HydrophobicContact CD1-CZ2 4.13Å; L501-W540 HydrophobicContact CD1-CZ3 3.63Å; L501-W540 HydrophobicContact CG-CH2 4.24Å; L501-W540 HydrophobicContact CG-CZ2 4.5Å; L501-W540 WeakPolarHBondContact O-CH2 3.5Å; L501-T547 HydrophobicContact CD2-CG2 4.09Å
502	A	93.7	Very high	95	Very high	68 Å²	68	67.1 Å²	67.1	56%	0.562	35%	0.352	S	S	*	.	H	α-helix	trans	-58.8	-39.4	178.2	0	0	0	0	0	112.9	E498 S499 H504 Q505	E498-A502 WeakPolarHBondContact O-CB 3.38Å; E498-A502 PolarHBondContact O-N 3.04Å; S499-A502 PolarHBondContact O-N 3.37Å; A502-H504 PolarHBondContact O-N 2.98Å; A502-Q505 VanDerWaalsContact O-CB 3.27Å; A502-Q505 WeakPolarHBondContact O-CB 3.45Å; A502-Q505 PolarHBondContact O-N 2.83Å
503	A	92.8	Very high	95.1	Very high	71 Å²	71	60.9 Å²	60.9	59%	0.587	34%	0.34	S	S	*	.	H	α-helix	trans	-65.7	-19	177.4	0	0	0	0	0	113.8	S499 D500 L501	S499-A503 PolarHBondContact O-N 3.16Å; D500-A503 PolarHBondContact O-N 3Å; L501-A503 VanDerWaalsContact C-N 3.3Å; L501-A503 PolarHBondContact O-N 2.9Å
504	H	94.3	Very high	95.2	Very high	17 Å²	17	53.9 Å²	53.9	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-90.6	-8	178.2	-84.4	-117.4	0	0	0	113.8	W466 D500 L501 A502 D506 R507 V508 W540	W466-H504 AromaticContact CD1-CE1 3.33Å; W466-H504 AromaticContact CD1-NE2 3.77Å; W466-H504 AromaticContact CD2-CE1 3.48Å; W466-H504 VanDerWaalsContact CD2-CE1 3.48Å; W466-H504 AromaticContact CD2-ND1 3.4Å; W466-H504 AromaticContact CE2-CD2 3.71Å; W466-H504 AromaticContact CE2-CE1 3.28Å; W466-H504 AromaticContact CE2-CG 3.59Å; W466-H504 AromaticContact CE2-ND1 3.31Å; W466-H504 VanDerWaalsContact CE2-ND1 3.31Å; W466-H504 AromaticContact CE2-NE2 3.58Å; W466-H504 AromaticContact CE3-ND1 3.79Å; W466-H504 AromaticContact CG-CE1 3.45Å; W466-H504 VanDerWaalsContact CG-CE1 3.45Å; W466-H504 AromaticContact CG-ND1 3.83Å; W466-H504 HydrophobicContact CH2-CB 3.81Å; W466-H504 AromaticContact CH2-CG 3.89Å; W466-H504 HydrophobicContact CZ2-CB 3.82Å; W466-H504 AromaticContact CZ2-CD2 3.66Å; W466-H504 AromaticContact CZ2-CE1 3.96Å; W466-H504 AromaticContact CZ2-CG 3.43Å; W466-H504 VanDerWaalsContact CZ2-CG 3.43Å; W466-H504 AromaticContact CZ2-ND1 3.64Å; W466-H504 HydrophobicContact CZ3-CB 4.33Å; W466-H504 AromaticContact NE1-CD2 3.84Å; W466-H504 AromaticContact NE1-CE1 3.21Å; W466-H504 PolarHBondContact NE1-CE1 3.12Å; W466-H504 AromaticContact NE1-ND1 3.77Å; W466-H504 AromaticContact NE1-NE2 3.29Å; W466-H504 PolarHBondContact NE1-NE2 2.84Å; D500-H504 PolarHBondContact O-CD2 3.39Å; D500-H504 VanDerWaalsContact O-CD2 3.25Å; D500-H504 PolarHBondContact O-N 3.46Å; D500-H504 IonicContact OD1-NE2 3.27Å; L501-H504 PolarHBondContact O-N 2.77Å; A502-H504 PolarHBondContact O-N 2.98Å; H504-D506 PolarHBondContact O-N 3.13Å; H504-R507 PolarHBondContact CE1-NH1 3.35Å; H504-R507 VanDerWaalsContact O-CB 3.31Å; H504-R507 WeakPolarHBondContact O-CB 3.47Å; H504-R507 PolarHBondContact O-N 2.97Å; H504-R507 VanDerWaalsContact O-N 3.07Å; H504-V508 PolarHBondContact O-N 3.41Å; H504-W540 HydrophobicContact CB-CH2 3.59Å; H504-W540 HydrophobicContact CB-CZ3 3.87Å
505	Q	94.8	Very high	95.1	Very high	71 Å²	71	53.7 Å²	53.7	33%	0.332	31%	0.314	S	S	.	.	H	α-helix	trans	-55	-53.8	178.4	179.2	63.2	26.9	0	0	111.8	A502 R507 V508 E509 W540	A502-Q505 VanDerWaalsContact O-CB 3.27Å; A502-Q505 WeakPolarHBondContact O-CB 3.45Å; A502-Q505 PolarHBondContact O-N 2.83Å; Q505-R507 PolarHBondContact O-N 3.33Å; Q505-V508 PolarHBondContact O-N 2.88Å; Q505-E509 PolarHBondContact NE2-OE1 3.04Å; Q505-E509 PolarHBondContact O-N 3.24Å; Q505-E509 VanDerWaalsContact O-N 3.12Å; Q505-W540 HydrophobicContact CB-CZ2 4.11Å; Q505-W540 VanDerWaalsContact OE1-CE2 3.28Å; Q505-W540 VanDerWaalsContact OE1-CZ2 3.25Å
506	D	93.8	Very high	95.1	Very high	103 Å²	103	54.5 Å²	54.5	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-55.7	-30.9	178.6	-67.7	-5.6	0	0	0	112.1	H504 H510	H504-D506 PolarHBondContact O-N 3.13Å; D506-H510 WeakPolarHBondContact O-CB 3.45Å; D506-H510 VanDerWaalsContact O-CG 3.23Å; D506-H510 PolarHBondContact O-N 3.17Å; D506-H510 PolarHBondContact O-ND1 3.45Å
507	R	94.6	Very high	95.1	Very high	77 Å²	77	53.8 Å²	53.8	29%	0.291	30%	0.303	S	S	.	.	H	α-helix	trans	-69.6	-41.1	179.8	-170.2	178.6	-62	178.3	6.2	111.3	H504 Q505 H510 I511	H504-R507 PolarHBondContact CE1-NH1 3.35Å; H504-R507 VanDerWaalsContact O-CB 3.31Å; H504-R507 WeakPolarHBondContact O-CB 3.47Å; H504-R507 PolarHBondContact O-N 2.97Å; H504-R507 VanDerWaalsContact O-N 3.07Å; Q505-R507 PolarHBondContact O-N 3.33Å; R507-H510 PolarHBondContact O-N 3.5Å; R507-I511 HydrophobicContact CG-CD1 4.3Å; R507-I511 VanDerWaalsContact O-CG1 3.29Å; R507-I511 WeakPolarHBondContact O-CG1 3.31Å; R507-I511 PolarHBondContact O-N 2.95Å
508	V	96.3	Very high	95	Very high	9 Å²	9	52.7 Å²	52.7	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-44.8	177.5	179.6	0	0	0	0	110.1	H463 H504 Q505 H510 I511 A512 I536 W540	H463-V508 WeakPolarHBondContact CE1-CG2 3.25Å; H504-V508 PolarHBondContact O-N 3.41Å; Q505-V508 PolarHBondContact O-N 2.88Å; V508-H510 VanDerWaalsContact C-N 3.32Å; V508-H510 PolarHBondContact O-N 2.98Å; V508-I511 WeakPolarHBondContact O-CB 3.46Å; V508-I511 PolarHBondContact O-N 3.48Å; V508-A512 PolarHBondContact O-N 3.44Å; V508-I536 HydrophobicContact CG1-CG2 4.42Å; V508-W540 HydrophobicContact CG1-CG 4.37Å; V508-W540 HydrophobicContact CG2-CD2 3.76Å; V508-W540 HydrophobicContact CG2-CE3 3.68Å; V508-W540 HydrophobicContact CG2-CG 4.18Å; V508-W540 HydrophobicContact CG2-CH2 4.38Å; V508-W540 HydrophobicContact CG2-CZ3 3.99Å
509	E	95.3	Very high	94.9	Very high	105 Å²	105	53.6 Å²	53.6	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-59.1	-42.7	176.1	-67.5	179.5	-172.1	0	0	111.9	Q505 I511 A512 A513	Q505-E509 PolarHBondContact NE2-OE1 3.04Å; Q505-E509 PolarHBondContact O-N 3.24Å; Q505-E509 VanDerWaalsContact O-N 3.12Å; E509-I511 PolarHBondContact O-N 3.27Å; E509-A512 PolarHBondContact O-N 2.86Å; E509-A513 WeakPolarHBondContact O-CB 3.39Å; E509-A513 PolarHBondContact O-N 2.99Å
510	H	96.1	Very high	94.8	Very high	105 Å²	105	56 Å²	56	49%	0.486	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-36.3	173.9	-74.4	126	0	0	0	113.4	D506 R507 V508 L514	D506-H510 WeakPolarHBondContact O-CB 3.45Å; D506-H510 VanDerWaalsContact O-CG 3.23Å; D506-H510 PolarHBondContact O-N 3.17Å; D506-H510 PolarHBondContact O-ND1 3.45Å; R507-H510 PolarHBondContact O-N 3.5Å; V508-H510 VanDerWaalsContact C-N 3.32Å; V508-H510 PolarHBondContact O-N 2.98Å; H510-L514 VanDerWaalsContact O-CG 3.27Å; H510-L514 WeakPolarHBondContact O-CG 3.38Å; H510-L514 PolarHBondContact O-N 3.44Å
511	I	96.9	Very high	94.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-44.2	176.5	-71	163.1	0	0	0	109.9	F456 K459 H463 R507 V508 E509 L514 A515 I536	F456-I511 HydrophobicContact CD2-CG2 4Å; F456-I511 HydrophobicContact CE2-CG2 3.55Å; F456-I511 HydrophobicContact CZ-CG2 4.44Å; K459-I511 HydrophobicContact CB-CD1 4.25Å; K459-I511 HydrophobicContact CB-CG1 3.82Å; H463-I511 HydrophobicContact CB-CD1 3.76Å; R507-I511 HydrophobicContact CG-CD1 4.3Å; R507-I511 VanDerWaalsContact O-CG1 3.29Å; R507-I511 WeakPolarHBondContact O-CG1 3.31Å; R507-I511 PolarHBondContact O-N 2.95Å; V508-I511 WeakPolarHBondContact O-CB 3.46Å; V508-I511 PolarHBondContact O-N 3.48Å; E509-I511 PolarHBondContact O-N 3.27Å; I511-L514 PolarHBondContact O-N 3.01Å; I511-A515 PolarHBondContact O-N 3.48Å; I511-I536 HydrophobicContact CG2-CD1 4.36Å
512	A	95.7	Very high	94.4	Very high	36 Å²	36	60.3 Å²	60.3	30%	0.298	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-44.2	176	0	0	0	0	0	112.3	V508 E509 L514 A515 Q516	V508-A512 PolarHBondContact O-N 3.44Å; E509-A512 PolarHBondContact O-N 2.86Å; A512-L514 VanDerWaalsContact C-N 3.34Å; A512-L514 PolarHBondContact O-N 3.46Å; A512-A515 PolarHBondContact O-N 3.13Å; A512-Q516 PolarHBondContact O-N 3.42Å
513	A	96	Very high	94.3	Very high	54 Å²	54	58.4 Å²	58.4	45%	0.446	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-39.9	176.4	0	0	0	0	0	112.5	E509 Q516 E517	E509-A513 WeakPolarHBondContact O-CB 3.39Å; E509-A513 PolarHBondContact O-N 2.99Å; A513-Q516 PolarHBondContact O-N 3.12Å; A513-E517 PolarHBondContact O-N 2.75Å
514	L	96.1	Very high	94	Very high	21 Å²	21	61.9 Å²	61.9	11%	0.11	31%	0.312	C	S	.	.	H	α-helix	trans	-65	-40.3	175.3	-74.2	170.4	0	0	0	112.3	L452 K455 F456 K459 H510 I511 A512 Q516 E517 L518	L452-L514 HydrophobicContact CD2-CD2 3.73Å; K455-L514 HydrophobicContact CB-CD1 4.29Å; F456-L514 HydrophobicContact CB-CB 4.47Å; F456-L514 HydrophobicContact CD2-CB 4.39Å; K459-L514 HydrophobicContact CD-CD1 3.65Å; H510-L514 VanDerWaalsContact O-CG 3.27Å; H510-L514 WeakPolarHBondContact O-CG 3.38Å; H510-L514 PolarHBondContact O-N 3.44Å; I511-L514 PolarHBondContact O-N 3.01Å; A512-L514 VanDerWaalsContact C-N 3.34Å; A512-L514 PolarHBondContact O-N 3.46Å; L514-Q516 VanDerWaalsContact C-N 3.33Å; L514-E517 PolarHBondContact O-N 3.01Å; L514-L518 WeakPolarHBondContact O-CG 3.34Å; L514-L518 PolarHBondContact O-N 2.89Å
515	A	95.3	Very high	93.8	Very high	3 Å²	3	65.4 Å²	65.4	3%	0.025	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-41.5	175.1	0	0	0	0	0	111.3	F456 I511 A512 L518 N519 V529 C533	F456-A515 HydrophobicContact CD2-CB 4.29Å; F456-A515 HydrophobicContact CE2-CB 3.95Å; I511-A515 PolarHBondContact O-N 3.48Å; A512-A515 PolarHBondContact O-N 3.13Å; A515-L518 WeakPolarHBondContact O-CB 3.37Å; A515-L518 PolarHBondContact O-N 3.16Å; A515-N519 PolarHBondContact O-N 3.36Å; A515-N519 PolarHBondContact O-ND2 2.65Å; A515-V529 HydrophobicContact CB-CG1 3.74Å; A515-C533 HydrophobicContact CB-CB 4.01Å
516	Q	94.3	Very high	93.7	Very high	116 Å²	116	63 Å²	63	54%	0.542	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-46.1	175.4	-173.6	178.9	-18.2	0	0	112.2	A512 A513 L514 L518 N519 E520	A512-Q516 PolarHBondContact O-N 3.42Å; A513-Q516 PolarHBondContact O-N 3.12Å; L514-Q516 VanDerWaalsContact C-N 3.33Å; Q516-L518 VanDerWaalsContact C-N 3.27Å; Q516-L518 PolarHBondContact O-N 3.49Å; Q516-N519 WeakPolarHBondContact O-CB 3.27Å; Q516-N519 PolarHBondContact O-N 3.01Å; Q516-E520 PolarHBondContact NE2-OE1 3.05Å; Q516-E520 WeakPolarHBondContact O-CG 3.16Å; Q516-E520 PolarHBondContact O-N 2.88Å
517	E	95.1	Very high	93.7	Very high	51 Å²	51	61.9 Å²	61.9	24%	0.238	33%	0.325	C	S	.	.	H	α-helix	trans	-61.6	-35.6	177.1	-168.6	-175	170.7	0	0	111.9	R448 L452 A513 L514 E520 L521	R448-E517 IonicContact CZ-OE1 2.71Å; R448-E517 IonicContact NE-OE1 3.17Å; R448-E517 PolarHBondContact NE-OE1 3.47Å; R448-E517 IonicContact NH2-OE1 2.75Å; R448-E517 PolarHBondContact NH2-OE1 3.48Å; L452-E517 HydrophobicContact CD1-CB 4.42Å; L452-E517 VanDerWaalsContact CD1-CD 3.45Å; L452-E517 HydrophobicContact CD1-CG 3.76Å; L452-E517 WeakPolarHBondContact CD1-OE1 3.42Å; L452-E517 WeakPolarHBondContact CD2-OE2 3.44Å; A513-E517 PolarHBondContact O-N 2.75Å; L514-E517 PolarHBondContact O-N 3.01Å; E517-E520 PolarHBondContact O-N 3.4Å; E517-L521 WeakPolarHBondContact O-CG 3.31Å; E517-L521 PolarHBondContact O-N 3.33Å
518	L	94.8	Very high	93.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.6	-36.7	173.2	-77.6	166.4	0	0	0	112.5	L449 L452 A453 F456 L514 A515 Q516 L521 Y523 V529	L449-L518 HydrophobicContact CD2-CD2 3.78Å; L452-L518 HydrophobicContact CB-CD2 3.65Å; L452-L518 HydrophobicContact CB-CG 3.99Å; L452-L518 HydrophobicContact CD1-CD2 4.5Å; A453-L518 HydrophobicContact CB-CD2 4.22Å; F456-L518 HydrophobicContact CB-CD1 4.06Å; F456-L518 HydrophobicContact CG-CD1 4.41Å; L514-L518 WeakPolarHBondContact O-CG 3.34Å; L514-L518 PolarHBondContact O-N 2.89Å; A515-L518 WeakPolarHBondContact O-CB 3.37Å; A515-L518 PolarHBondContact O-N 3.16Å; Q516-L518 VanDerWaalsContact C-N 3.27Å; Q516-L518 PolarHBondContact O-N 3.49Å; L518-L521 PolarHBondContact O-N 3.07Å; L518-Y523 HydrophobicContact CD2-CD1 4.29Å; L518-Y523 HydrophobicContact CD2-CD2 4.32Å; L518-Y523 HydrophobicContact CD2-CG 4.03Å; L518-Y523 VanDerWaalsContact O-CB 3.28Å; L518-Y523 WeakPolarHBondContact O-CB 3.31Å; L518-Y523 PolarHBondContact O-N 2.75Å; L518-Y523 VanDerWaalsContact O-N 3.14Å; L518-V529 HydrophobicContact CD1-CG1 4.03Å; L518-V529 HydrophobicContact CD1-CG2 4.41Å
519	N	93.4	Very high	93.8	Very high	52 Å²	52	61.9 Å²	61.9	28%	0.278	34%	0.337	S	S	.	.	H	α-helix	trans	-67.7	-43.8	174.8	-69.4	-34.2	0	0	0	112	A515 Q516 L521 D522 A526 N530	A515-N519 PolarHBondContact O-N 3.36Å; A515-N519 PolarHBondContact O-ND2 2.65Å; Q516-N519 WeakPolarHBondContact O-CB 3.27Å; Q516-N519 PolarHBondContact O-N 3.01Å; N519-L521 PolarHBondContact O-N 3.11Å; N519-L521 VanDerWaalsContact O-N 3.14Å; N519-D522 PolarHBondContact O-N 3.39Å; N519-A526 VanDerWaalsContact OD1-CB 3.31Å; N519-A526 WeakPolarHBondContact OD1-CB 3.46Å; N519-N530 PolarHBondContact ND2-ND2 3.26Å; N519-N530 VanDerWaalsContact ND2-ND2 3.17Å; N519-N530 PolarHBondContact ND2-OD1 3.18Å; N519-N530 PolarHBondContact OD1-ND2 3.08Å; N519-N530 PolarHBondContact OD1-OD1 3.31Å
520	E	93.4	Very high	93.8	Very high	134 Å²	134	59.7 Å²	59.7	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-61.3	-22.3	178.6	-71.7	175.4	-171.6	0	0	113	Q516 E517	Q516-E520 PolarHBondContact NE2-OE1 3.05Å; Q516-E520 WeakPolarHBondContact O-CG 3.16Å; Q516-E520 PolarHBondContact O-N 2.88Å; E517-E520 PolarHBondContact O-N 3.4Å
521	L	91.4	Very high	93.8	Very high	35 Å²	35	58.8 Å²	58.8	18%	0.183	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	13.1	177	-66	174.7	0	0	0	113.2	R445 R448 L449 L452 E517 L518 N519 Y523	R445-L521 HydrophobicContact CG-CD2 4.43Å; R445-L521 PolarHBondContact NH1-O 3.1Å; R448-L521 HydrophobicContact CG-CD1 4.2Å; L449-L521 HydrophobicContact CD2-CB 3.45Å; L449-L521 VanDerWaalsContact CD2-CB 3.45Å; L449-L521 HydrophobicContact CD2-CD1 4.02Å; L449-L521 HydrophobicContact CD2-CG 4.4Å; L449-L521 HydrophobicContact CG-CB 4.08Å; L449-L521 HydrophobicContact CG-CD1 4.37Å; L452-L521 HydrophobicContact CD1-CD1 3.84Å; E517-L521 WeakPolarHBondContact O-CG 3.31Å; E517-L521 PolarHBondContact O-N 3.33Å; L518-L521 PolarHBondContact O-N 3.07Å; N519-L521 PolarHBondContact O-N 3.11Å; N519-L521 VanDerWaalsContact O-N 3.14Å; L521-Y523 PolarHBondContact O-N 3.42Å
522	D	88.7	Confident	93.8	Very high	139 Å²	139	61.9 Å²	61.9	74%	0.743	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	50	179.4	-62.6	-47.6	0	0	0	113.1	N519 H524	N519-D522 PolarHBondContact O-N 3.39Å; D522-H524 PolarHBondContact O-N 3.13Å
523	Y	90.7	Very high	93.9	Very high	28 Å²	28	60.8 Å²	60.8	11%	0.11	34%	0.336	C	S	.	.			trans	-63.4	133.6	177.4	-175.4	-123	0	0	0	112	L449 A453 L518 L521 E525 A526 V529	L449-Y523 HydrophobicContact CB-CD2 4.23Å; L449-Y523 HydrophobicContact CD1-CD2 4.38Å; L449-Y523 HydrophobicContact CD2-CD2 3.9Å; L449-Y523 HydrophobicContact CD2-CG 4.22Å; L449-Y523 HydrophobicContact CG-CD2 4.42Å; A453-Y523 HydrophobicContact CB-CE1 4.13Å; A453-Y523 HydrophobicContact CB-CE2 4.07Å; A453-Y523 WeakPolarHBondContact CB-OH 3.4Å; L518-Y523 HydrophobicContact CD2-CD1 4.29Å; L518-Y523 HydrophobicContact CD2-CD2 4.32Å; L518-Y523 HydrophobicContact CD2-CG 4.03Å; L518-Y523 VanDerWaalsContact O-CB 3.28Å; L518-Y523 WeakPolarHBondContact O-CB 3.31Å; L518-Y523 PolarHBondContact O-N 2.75Å; L518-Y523 VanDerWaalsContact O-N 3.14Å; L521-Y523 PolarHBondContact O-N 3.42Å; Y523-E525 VanDerWaalsContact C-N 3.29Å; Y523-E525 HydrophobicContact CD1-CB 4.12Å; Y523-E525 HydrophobicContact CE1-CB 3.63Å; Y523-E525 PolarHBondContact O-N 3.17Å; Y523-A526 WeakPolarHBondContact O-CB 3.09Å; Y523-A526 PolarHBondContact O-N 2.93Å; Y523-V529 HydrophobicContact CD1-CG2 4.18Å; Y523-V529 HydrophobicContact CE1-CG2 4.03Å
524	H	87.1	Confident	93.9	Very high	144 Å²	144	63.3 Å²	63.3	67%	0.667	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.2	-175.3	73.1	-53.7	0	0	0	115.3	D522	D522-H524 PolarHBondContact O-N 3.13Å
525	E	91.1	Very high	94	Very high	91 Å²	91	65 Å²	65	43%	0.425	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	23.2	177.1	-70.3	-178.9	127.7	0	0	112.4	Y523 A527 S528 V529	Y523-E525 VanDerWaalsContact C-N 3.29Å; Y523-E525 HydrophobicContact CD1-CB 4.12Å; Y523-E525 HydrophobicContact CE1-CB 3.63Å; Y523-E525 PolarHBondContact O-N 3.17Å; E525-A527 PolarHBondContact O-N 3.25Å; E525-A527 VanDerWaalsContact O-N 3.15Å; E525-S528 WeakPolarHBondContact O-CB 3.27Å; E525-S528 PolarHBondContact O-N 3.38Å; E525-V529 PolarHBondContact O-N 3.44Å; E525-V529 VanDerWaalsContact O-N 3.08Å
526	A	92.9	Very high	94.1	Very high	19 Å²	19	65 Å²	65	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-49.1	-41.5	178.5	0	0	0	0	0	112.8	N519 Y523 S528 V529 N530	N519-A526 VanDerWaalsContact OD1-CB 3.31Å; N519-A526 WeakPolarHBondContact OD1-CB 3.46Å; Y523-A526 WeakPolarHBondContact O-CB 3.09Å; Y523-A526 PolarHBondContact O-N 2.93Å; A526-S528 VanDerWaalsContact C-N 3.35Å; A526-S528 PolarHBondContact O-N 3.2Å; A526-V529 PolarHBondContact O-N 3.39Å; A526-N530 WeakPolarHBondContact O-CB 3.44Å; A526-N530 PolarHBondContact O-N 3.39Å; A526-N530 PolarHBondContact O-ND2 2.93Å; A526-N530 VanDerWaalsContact O-ND2 3.11Å
527	A	93.1	Very high	94.2	Very high	80 Å²	80	61 Å²	61	66%	0.661	34%	0.34	S	S	*	.	H	α-helix	trans	-60.2	-41.6	178.3	0	0	0	0	0	113.1	E525 S531	E525-A527 PolarHBondContact O-N 3.25Å; E525-A527 VanDerWaalsContact O-N 3.15Å; A527-S531 WeakPolarHBondContact O-CB 3.48Å; A527-S531 PolarHBondContact O-N 3.15Å
528	S	95.2	Very high	94.2	Very high	75 Å²	75	62.7 Å²	62.7	52%	0.524	35%	0.35	S	S	.	.	H	α-helix	trans	-68.3	-44.8	177.7	-179.2	0	0	0	0	111.3	E525 A526 N530 S531 R532	E525-S528 WeakPolarHBondContact O-CB 3.27Å; E525-S528 PolarHBondContact O-N 3.38Å; A526-S528 VanDerWaalsContact C-N 3.35Å; A526-S528 PolarHBondContact O-N 3.2Å; S528-N530 VanDerWaalsContact C-N 3.35Å; S528-N530 PolarHBondContact O-N 3.02Å; S528-S531 PolarHBondContact O-N 3.19Å; S528-R532 WeakPolarHBondContact O-CB 3.19Å; S528-R532 PolarHBondContact O-N 3.21Å
529	V	96.3	Very high	94.3	Very high	12 Å²	12	65.1 Å²	65.1	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-58.4	-46.4	175.4	170.3	0	0	0	0	111	F456 A515 L518 Y523 E525 A526 R532 C533	F456-V529 HydrophobicContact CD1-CG1 3.98Å; F456-V529 HydrophobicContact CD1-CG2 4.21Å; F456-V529 HydrophobicContact CD2-CG1 4.12Å; F456-V529 HydrophobicContact CE1-CB 4.18Å; F456-V529 HydrophobicContact CE1-CG1 3.74Å; F456-V529 HydrophobicContact CE1-CG2 4.16Å; F456-V529 HydrophobicContact CE2-CG1 3.87Å; F456-V529 HydrophobicContact CG-CG1 4.18Å; F456-V529 HydrophobicContact CZ-CB 4.43Å; F456-V529 HydrophobicContact CZ-CG1 3.69Å; F456-V529 WeakPolarHBondContact CZ-O 3.37Å; A515-V529 HydrophobicContact CB-CG1 3.74Å; L518-V529 HydrophobicContact CD1-CG1 4.03Å; L518-V529 HydrophobicContact CD1-CG2 4.41Å; Y523-V529 HydrophobicContact CD1-CG2 4.18Å; Y523-V529 HydrophobicContact CE1-CG2 4.03Å; E525-V529 PolarHBondContact O-N 3.44Å; E525-V529 VanDerWaalsContact O-N 3.08Å; A526-V529 PolarHBondContact O-N 3.39Å; V529-R532 PolarHBondContact O-N 3.15Å; V529-C533 WeakPolarHBondContact O-CB 3.34Å; V529-C533 PolarHBondContact O-N 3.46Å
530	N	95.6	Very high	94.4	Very high	59 Å²	59	63.8 Å²	63.8	32%	0.316	35%	0.353	S	S	.	.	H	α-helix	trans	-66.7	-44.1	179.6	-69.4	-27.4	0	0	0	112.2	N519 A526 S528 R532 C533 Q534	N519-N530 PolarHBondContact ND2-ND2 3.26Å; N519-N530 VanDerWaalsContact ND2-ND2 3.17Å; N519-N530 PolarHBondContact ND2-OD1 3.18Å; N519-N530 PolarHBondContact OD1-ND2 3.08Å; N519-N530 PolarHBondContact OD1-OD1 3.31Å; A526-N530 WeakPolarHBondContact O-CB 3.44Å; A526-N530 PolarHBondContact O-N 3.39Å; A526-N530 PolarHBondContact O-ND2 2.93Å; A526-N530 VanDerWaalsContact O-ND2 3.11Å; S528-N530 VanDerWaalsContact C-N 3.35Å; S528-N530 PolarHBondContact O-N 3.02Å; N530-R532 VanDerWaalsContact C-N 3.28Å; N530-R532 PolarHBondContact O-N 3.43Å; N530-C533 PolarHBondContact O-N 3.12Å; N530-Q534 WeakPolarHBondContact O-CB 3.47Å; N530-Q534 PolarHBondContact O-N 2.89Å
531	S	96.9	Very high	94.5	Very high	86 Å²	86	62.3 Å²	62.3	60%	0.601	35%	0.349	S	S	*	.	H	α-helix	trans	-59.7	-41.1	176	-175	0	0	0	0	111.5	A527 S528 A535	A527-S531 WeakPolarHBondContact O-CB 3.48Å; A527-S531 PolarHBondContact O-N 3.15Å; S528-S531 PolarHBondContact O-N 3.19Å; S531-A535 WeakPolarHBondContact O-CB 3.24Å; S531-A535 PolarHBondContact O-N 2.93Å
532	R	97.4	Very high	94.7	Very high	65 Å²	65	63.6 Å²	63.6	25%	0.245	36%	0.356	C	S	.	.	H	α-helix	trans	-69.7	-42.7	177.2	-173	176.9	-178.6	-167.2	0	112	F456 S461 E464 S528 V529 N530 Q534 A535 I536	F456-R532 HydrophobicContact CZ-CB 4.42Å; S461-R532 PolarHBondContact OG-NH2 3.29Å; E464-R532 VanDerWaalsContact CD-NH2 3.27Å; E464-R532 IonicContact OE1-CZ 2.99Å; E464-R532 IonicContact OE1-NE 2.91Å; E464-R532 PolarHBondContact OE1-NE 2.68Å; E464-R532 IonicContact OE1-NH2 3.78Å; E464-R532 PolarHBondContact OE1-NH2 2.93Å; E464-R532 IonicContact OE2-CZ 2.58Å; E464-R532 IonicContact OE2-NE 3.81Å; E464-R532 IonicContact OE2-NH2 3.82Å; E464-R532 PolarHBondContact OE2-NH2 3.39Å; S528-R532 WeakPolarHBondContact O-CB 3.19Å; S528-R532 PolarHBondContact O-N 3.21Å; V529-R532 PolarHBondContact O-N 3.15Å; N530-R532 VanDerWaalsContact C-N 3.28Å; N530-R532 PolarHBondContact O-N 3.43Å; R532-Q534 VanDerWaalsContact C-N 3.34Å; R532-A535 PolarHBondContact O-N 3.22Å; R532-I536 HydrophobicContact CG-CD1 4.41Å; R532-I536 WeakPolarHBondContact O-CG1 3.27Å; R532-I536 PolarHBondContact O-N 3.23Å
533	C	97.4	Very high	95.1	Very high	12 Å²	12	57 Å²	57	8%	0.081	32%	0.321	C	S	.	.	H	α-helix	trans	-61.7	-43.6	176.3	-171.3	0	0	0	0	111.2	F456 A515 V529 N530 I536 C537	F456-C533 HydrophobicContact CE2-CB 4.15Å; F456-C533 HydrophobicContact CZ-CB 4.22Å; A515-C533 HydrophobicContact CB-CB 4.01Å; V529-C533 WeakPolarHBondContact O-CB 3.34Å; V529-C533 PolarHBondContact O-N 3.46Å; N530-C533 PolarHBondContact O-N 3.12Å; C533-I536 WeakPolarHBondContact O-CB 3.44Å; C533-I536 PolarHBondContact O-N 3.23Å; C533-C537 PolarHBondContact O-N 2.96Å; C533-C537 PolarHBondContact O-SG 3.44Å
534	Q	96.8	Very high	95.3	Very high	108 Å²	108	57 Å²	57	51%	0.505	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-46.3	176.7	-171.5	63	44.4	0	0	110.9	N530 R532 I536 C537 D538	N530-Q534 WeakPolarHBondContact O-CB 3.47Å; N530-Q534 PolarHBondContact O-N 2.89Å; R532-Q534 VanDerWaalsContact C-N 3.34Å; Q534-I536 VanDerWaalsContact C-N 3.26Å; Q534-I536 PolarHBondContact O-N 2.87Å; Q534-C537 PolarHBondContact O-N 3.15Å; Q534-C537 VanDerWaalsContact O-N 3.11Å; Q534-D538 PolarHBondContact NE2-OD1 3.47Å; Q534-D538 WeakPolarHBondContact O-CB 3.4Å; Q534-D538 PolarHBondContact O-N 2.88Å
535	A	96.7	Very high	95.7	Very high	56 Å²	56	53.4 Å²	53.4	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-59	-37.6	176.3	0	0	0	0	0	112.8	S531 R532 Q539	S531-A535 WeakPolarHBondContact O-CB 3.24Å; S531-A535 PolarHBondContact O-N 2.93Å; R532-A535 PolarHBondContact O-N 3.22Å; A535-Q539 VanDerWaalsContact O-CB 3.25Å; A535-Q539 WeakPolarHBondContact O-CB 3.39Å; A535-Q539 PolarHBondContact O-N 3.3Å
536	I	97.1	Very high	95.9	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.015	31%	0.305	C	S	.	.	H	α-helix	trans	-65.7	-45.7	174.2	-72	169.1	0	0	0	111.1	A460 H463 E464 V508 I511 R532 C533 Q534 Q539 W540	A460-I536 HydrophobicContact CB-CD1 3.74Å; H463-I536 VanDerWaalsContact CD2-CG2 3.49Å; H463-I536 WeakPolarHBondContact CD2-CG2 3.46Å; E464-I536 HydrophobicContact CG-CD1 4.28Å; E464-I536 HydrophobicContact CG-CG1 4.23Å; V508-I536 HydrophobicContact CG1-CG2 4.42Å; I511-I536 HydrophobicContact CG2-CD1 4.36Å; R532-I536 HydrophobicContact CG-CD1 4.41Å; R532-I536 WeakPolarHBondContact O-CG1 3.27Å; R532-I536 PolarHBondContact O-N 3.23Å; C533-I536 WeakPolarHBondContact O-CB 3.44Å; C533-I536 PolarHBondContact O-N 3.23Å; Q534-I536 VanDerWaalsContact C-N 3.26Å; Q534-I536 PolarHBondContact O-N 2.87Å; I536-Q539 PolarHBondContact O-N 3.31Å; I536-W540 WeakPolarHBondContact O-CB 3.38Å; I536-W540 PolarHBondContact O-N 3.47Å
537	C	96.3	Very high	96.1	Very high	33 Å²	33	49.6 Å²	49.6	22%	0.223	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-45	177.8	-65.7	0	0	0	0	111.8	C533 Q534 Q539 W540 D541	C533-C537 PolarHBondContact O-N 2.96Å; C533-C537 PolarHBondContact O-SG 3.44Å; Q534-C537 PolarHBondContact O-N 3.15Å; Q534-C537 VanDerWaalsContact O-N 3.11Å; C537-Q539 VanDerWaalsContact C-N 3.34Å; C537-Q539 PolarHBondContact O-N 3.35Å; C537-W540 WeakPolarHBondContact O-CB 3.32Å; C537-W540 PolarHBondContact O-N 3.07Å; C537-W540 VanDerWaalsContact O-N 3.15Å; C537-D541 PolarHBondContact O-N 2.8Å
538	D	96.1	Very high	96.2	Very high	85 Å²	85	50.4 Å²	50.4	46%	0.455	29%	0.288	S	S	.	.	H	α-helix	trans	-62.1	-42.5	177.8	-64.8	-19.8	0	0	0	111	Q534 W540 N542	Q534-D538 PolarHBondContact NE2-OD1 3.47Å; Q534-D538 WeakPolarHBondContact O-CB 3.4Å; Q534-D538 PolarHBondContact O-N 2.88Å; D538-W540 VanDerWaalsContact C-N 3.35Å; D538-N542 WeakPolarHBondContact O-CB 3.29Å; D538-N542 PolarHBondContact O-N 3.42Å
539	Q	96	Very high	96.2	Very high	52 Å²	52	53.1 Å²	53.1	24%	0.243	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-39.9	174.3	-179.5	170.8	61.3	0	0	111.6	T467 A535 I536 C537 N542 L543	T467-Q539 PolarHBondContact OG1-OE1 3.18Å; A535-Q539 VanDerWaalsContact O-CB 3.25Å; A535-Q539 WeakPolarHBondContact O-CB 3.39Å; A535-Q539 PolarHBondContact O-N 3.3Å; I536-Q539 PolarHBondContact O-N 3.31Å; C537-Q539 VanDerWaalsContact C-N 3.34Å; C537-Q539 PolarHBondContact O-N 3.35Å; Q539-N542 PolarHBondContact O-N 3.46Å; Q539-L543 HydrophobicContact CG-CD1 4.34Å; Q539-L543 WeakPolarHBondContact O-CB 3.49Å; Q539-L543 WeakPolarHBondContact O-CG 3.47Å; Q539-L543 PolarHBondContact O-N 2.84Å
540	W	96.9	Very high	96.2	Very high	23 Å²	23	53.4 Å²	53.4	9%	0.087	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-47	177.4	-178	-101.3	0	0	0	112.1	H463 W466 L501 H504 Q505 V508 I536 C537 D538 N542 L543 G544	H463-W540 AromaticContact CE1-CE3 3.59Å; H463-W540 AromaticContact CE1-CZ3 3.69Å; W466-W540 HydrophobicContact CH2-CH2 4.3Å; W466-W540 AromaticContact CH2-CZ3 3.71Å; W466-W540 HydrophobicContact CH2-CZ3 3.71Å; W466-W540 HydrophobicContact CZ3-CE3 4.33Å; W466-W540 AromaticContact CZ3-CZ3 3.62Å; W466-W540 HydrophobicContact CZ3-CZ3 3.62Å; L501-W540 HydrophobicContact CD1-CE3 4.22Å; L501-W540 HydrophobicContact CD1-CH2 3.59Å; L501-W540 HydrophobicContact CD1-CZ2 4.13Å; L501-W540 HydrophobicContact CD1-CZ3 3.63Å; L501-W540 HydrophobicContact CG-CH2 4.24Å; L501-W540 HydrophobicContact CG-CZ2 4.5Å; L501-W540 WeakPolarHBondContact O-CH2 3.5Å; H504-W540 HydrophobicContact CB-CH2 3.59Å; H504-W540 HydrophobicContact CB-CZ3 3.87Å; Q505-W540 HydrophobicContact CB-CZ2 4.11Å; Q505-W540 VanDerWaalsContact OE1-CE2 3.28Å; Q505-W540 VanDerWaalsContact OE1-CZ2 3.25Å; V508-W540 HydrophobicContact CG1-CG 4.37Å; V508-W540 HydrophobicContact CG2-CD2 3.76Å; V508-W540 HydrophobicContact CG2-CE3 3.68Å; V508-W540 HydrophobicContact CG2-CG 4.18Å; V508-W540 HydrophobicContact CG2-CH2 4.38Å; V508-W540 HydrophobicContact CG2-CZ3 3.99Å; I536-W540 WeakPolarHBondContact O-CB 3.38Å; I536-W540 PolarHBondContact O-N 3.47Å; C537-W540 WeakPolarHBondContact O-CB 3.32Å; C537-W540 PolarHBondContact O-N 3.07Å; C537-W540 VanDerWaalsContact O-N 3.15Å; D538-W540 VanDerWaalsContact C-N 3.35Å; W540-N542 VanDerWaalsContact C-N 3.32Å; W540-N542 PolarHBondContact O-N 3.04Å; W540-L543 WeakPolarHBondContact O-CB 3.47Å; W540-L543 PolarHBondContact O-N 3.22Å; W540-G544 PolarHBondContact O-N 3.01Å
541	D	95	Very high	96.2	Very high	104 Å²	104	54.4 Å²	54.4	56%	0.556	29%	0.289	S	S	*	.	H	α-helix	trans	-61.4	-43.4	176.1	-71.6	-17.5	0	0	0	110.5	C537 G544 T545	C537-D541 PolarHBondContact O-N 2.8Å; D541-G544 PolarHBondContact O-N 3.25Å; D541-T545 WeakPolarHBondContact O-CG2 3.3Å; D541-T545 PolarHBondContact O-N 3.34Å
542	N	95.8	Very high	96.1	Very high	62 Å²	62	54.2 Å²	54.2	33%	0.332	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-47.9	174.9	-173.9	44.3	0	0	0	111.9	E471 D538 Q539 W540 G544 T545 L546	E471-N542 PolarHBondContact OE1-ND2 3.3Å; D538-N542 WeakPolarHBondContact O-CB 3.29Å; D538-N542 PolarHBondContact O-N 3.42Å; Q539-N542 PolarHBondContact O-N 3.46Å; W540-N542 VanDerWaalsContact C-N 3.32Å; W540-N542 PolarHBondContact O-N 3.04Å; N542-G544 VanDerWaalsContact C-N 3.29Å; N542-G544 PolarHBondContact O-N 2.92Å; N542-T545 PolarHBondContact O-N 3.29Å; N542-T545 VanDerWaalsContact O-N 3.13Å; N542-T545 PolarHBondContact O-OG1 3.48Å; N542-L546 WeakPolarHBondContact O-CG 3.44Å; N542-L546 PolarHBondContact O-N 2.93Å
543	L	95.9	Very high	96	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.4	-43.6	175	-78.4	172.7	0	0	0	111.5	T467 K470 E471 L474 Q539 W540 T545 L546 T547	T467-L543 HydrophobicContact CG2-CD1 3.78Å; K470-L543 HydrophobicContact CB-CD2 3.87Å; E471-L543 HydrophobicContact CB-CD2 4.4Å; E471-L543 HydrophobicContact CG-CD2 3.54Å; E471-L543 HydrophobicContact CG-CG 4.11Å; L474-L543 HydrophobicContact CD1-CD2 3.68Å; Q539-L543 HydrophobicContact CG-CD1 4.34Å; Q539-L543 WeakPolarHBondContact O-CB 3.49Å; Q539-L543 WeakPolarHBondContact O-CG 3.47Å; Q539-L543 PolarHBondContact O-N 2.84Å; W540-L543 WeakPolarHBondContact O-CB 3.47Å; W540-L543 PolarHBondContact O-N 3.22Å; L543-T545 PolarHBondContact O-N 3.21Å; L543-L546 PolarHBondContact O-N 2.99Å; L543-T547 VanDerWaalsContact O-CB 3.27Å; L543-T547 WeakPolarHBondContact O-CB 3.36Å; L543-T547 PolarHBondContact O-N 2.77Å; L543-T547 PolarHBondContact O-OG1 2.93Å
544	G	94.9	Very high	95.8	Very high	29 Å²	29	51.1 Å²	51.1	30%	0.299	27%	0.271	S	S	.	.	H	α-helix	trans	-57.9	-47.4	175.1	0	0	0	0	0	112.2	W540 D541 N542 T547 Q548	W540-G544 PolarHBondContact O-N 3.01Å; D541-G544 PolarHBondContact O-N 3.25Å; N542-G544 VanDerWaalsContact C-N 3.29Å; N542-G544 PolarHBondContact O-N 2.92Å; G544-T547 PolarHBondContact O-N 2.93Å; G544-Q548 PolarHBondContact O-N 2.97Å; G544-Q548 VanDerWaalsContact O-N 3.16Å
545	T	95.6	Very high	95.8	Very high	67 Å²	67	49.4 Å²	49.4	41%	0.411	26%	0.263	S	S	.	.	H	α-helix	trans	-67.2	-40.4	178.4	69	0	0	0	0	113.3	D541 N542 L543 T547 Q548 K549	D541-T545 WeakPolarHBondContact O-CG2 3.3Å; D541-T545 PolarHBondContact O-N 3.34Å; N542-T545 PolarHBondContact O-N 3.29Å; N542-T545 VanDerWaalsContact O-N 3.13Å; N542-T545 PolarHBondContact O-OG1 3.48Å; L543-T545 PolarHBondContact O-N 3.21Å; T545-T547 VanDerWaalsContact C-N 3.33Å; T545-Q548 PolarHBondContact O-N 3.37Å; T545-K549 WeakPolarHBondContact O-CG 3.44Å; T545-K549 PolarHBondContact O-N 3.49Å
546	L	96.6	Very high	95.6	Very high	29 Å²	29	54.8 Å²	54.8	15%	0.152	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-38.4	177.3	-73.2	174.9	0	0	0	111.3	E471 L474 N542 L543 K549 R550	E471-L546 HydrophobicContact CB-CD1 4.24Å; E471-L546 HydrophobicContact CG-CD1 4.27Å; L474-L546 HydrophobicContact CB-CB 4.04Å; L474-L546 HydrophobicContact CD1-CB 3.97Å; N542-L546 WeakPolarHBondContact O-CG 3.44Å; N542-L546 PolarHBondContact O-N 2.93Å; L543-L546 PolarHBondContact O-N 2.99Å; L546-K549 PolarHBondContact O-N 2.92Å; L546-R550 WeakPolarHBondContact O-CB 3.3Å; L546-R550 PolarHBondContact O-N 3.29Å
547	T	96.4	Very high	95.4	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-48	176.7	-58.6	0	0	0	0	111	L474 H494 F497 E498 L501 L543 G544 T545 R550 R551	L474-T547 VanDerWaalsContact CD1-OG1 3.31Å; L474-T547 WeakPolarHBondContact CD1-OG1 3.4Å; H494-T547 PolarHBondContact CE1-O 2.81Å; H494-T547 WeakPolarHBondContact NE2-CG2 3.47Å; H494-T547 PolarHBondContact NE2-O 3.37Å; H494-T547 VanDerWaalsContact NE2-O 3.15Å; F497-T547 HydrophobicContact CD1-CG2 4.31Å; F497-T547 HydrophobicContact CE1-CG2 4.27Å; E498-T547 HydrophobicContact CG-CG2 3.54Å; L501-T547 HydrophobicContact CD2-CG2 4.09Å; L543-T547 VanDerWaalsContact O-CB 3.27Å; L543-T547 WeakPolarHBondContact O-CB 3.36Å; L543-T547 PolarHBondContact O-N 2.77Å; L543-T547 PolarHBondContact O-OG1 2.93Å; G544-T547 PolarHBondContact O-N 2.93Å; T545-T547 VanDerWaalsContact C-N 3.33Å; T547-R550 PolarHBondContact O-N 3.08Å; T547-R551 PolarHBondContact O-N 3.41Å
548	Q	95.6	Very high	95.3	Very high	96 Å²	96	56 Å²	56	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-46.2	176	-69.9	-58.8	-41	0	0	112.2	G544 T545 R550 R551 D552	G544-Q548 PolarHBondContact O-N 2.97Å; G544-Q548 VanDerWaalsContact O-N 3.16Å; T545-Q548 PolarHBondContact O-N 3.37Å; Q548-R550 VanDerWaalsContact C-N 3.29Å; Q548-R550 PolarHBondContact O-N 3.19Å; Q548-R551 WeakPolarHBondContact O-CB 3.25Å; Q548-R551 PolarHBondContact O-N 3.44Å; Q548-D552 PolarHBondContact O-N 2.91Å
549	K	95.2	Very high	95.2	Very high	133 Å²	133	59 Å²	59	58%	0.578	28%	0.283	S	S	*	.	H	α-helix	trans	-57.9	-40.8	176.6	-75.8	173.5	-178.7	170.8	0	112.5	T545 L546 A553	T545-K549 WeakPolarHBondContact O-CG 3.44Å; T545-K549 PolarHBondContact O-N 3.49Å; L546-K549 PolarHBondContact O-N 2.92Å; K549-A553 WeakPolarHBondContact O-CB 3.49Å; K549-A553 PolarHBondContact O-N 3.42Å; K549-A553 VanDerWaalsContact O-N 3.11Å
550	R	96.2	Very high	95	Very high	17 Å²	17	58.1 Å²	58.1	6%	0.064	28%	0.279	C	S	.	.	H	α-helix	trans	-68.3	-42.3	177.6	-178.7	174.4	174.7	81.5	1.2	111.3	L474 Q476 D478 L546 T547 Q548 A553 L554	L474-R550 WeakPolarHBondContact O-CD 3.38Å; Q476-R550 PolarHBondContact O-NH1 2.96Å; D478-R550 VanDerWaalsContact CG-NH2 3.29Å; D478-R550 IonicContact OD1-CZ 3.9Å; D478-R550 VanDerWaalsContact OD1-CZ 3.27Å; D478-R550 IonicContact OD1-NH1 2.67Å; D478-R550 PolarHBondContact OD1-NH1 3.38Å; D478-R550 IonicContact OD1-NH2 3.12Å; D478-R550 PolarHBondContact OD1-NH2 3.26Å; D478-R550 IonicContact OD2-NH2 3.96Å; D478-R550 PolarHBondContact OD2-NH2 3.42Å; L546-R550 WeakPolarHBondContact O-CB 3.3Å; L546-R550 PolarHBondContact O-N 3.29Å; T547-R550 PolarHBondContact O-N 3.08Å; Q548-R550 VanDerWaalsContact C-N 3.29Å; Q548-R550 PolarHBondContact O-N 3.19Å; R550-A553 PolarHBondContact O-N 3.48Å; R550-L554 HydrophobicContact CG-CD1 3.93Å; R550-L554 HydrophobicContact CG-CG 4.36Å; R550-L554 WeakPolarHBondContact O-CB 3.48Å; R550-L554 WeakPolarHBondContact O-CG 3.36Å; R550-L554 PolarHBondContact O-N 3.23Å
551	R	95.8	Very high	94.7	Very high	81 Å²	81	58.5 Å²	58.5	31%	0.306	28%	0.283	S	S	.	.	H	α-helix	trans	-56.6	-52.5	173.9	-177.9	-179.2	178.8	149.9	-1.1	111.5	E498 T547 Q548 A553 L554 E555	E498-R551 WeakPolarHBondContact OE1-CD 3.38Å; E498-R551 IonicContact OE1-NH1 3.25Å; E498-R551 IonicContact OE2-CZ 2.99Å; E498-R551 IonicContact OE2-NH1 2.87Å; E498-R551 PolarHBondContact OE2-NH1 2.85Å; T547-R551 PolarHBondContact O-N 3.41Å; Q548-R551 WeakPolarHBondContact O-CB 3.25Å; Q548-R551 PolarHBondContact O-N 3.44Å; R551-A553 PolarHBondContact O-N 3Å; R551-L554 PolarHBondContact O-N 2.84Å; R551-L554 VanDerWaalsContact O-N 3.12Å; R551-E555 HydrophobicContact CG-CG 4.31Å; R551-E555 WeakPolarHBondContact CG-OE1 3.49Å; R551-E555 IonicContact CZ-OE1 2.92Å; R551-E555 IonicContact NE-OE1 3.17Å; R551-E555 PolarHBondContact NE-OE1 3.44Å; R551-E555 IonicContact NH2-OE1 3.52Å; R551-E555 PolarHBondContact NH2-OE1 3.41Å; R551-E555 WeakPolarHBondContact O-CG 3.35Å; R551-E555 PolarHBondContact O-N 3.07Å
552	D	95.3	Very high	94.6	Very high	81 Å²	81	57.9 Å²	57.9	43%	0.433	28%	0.276	S	S	.	.	H	α-helix	trans	-59.7	-32.7	178.7	-69.5	-18.3	0	0	0	112.7	Q548 R556	Q548-D552 PolarHBondContact O-N 2.91Å; D552-R556 VanDerWaalsContact O-CB 3.29Å; D552-R556 WeakPolarHBondContact O-CB 3.42Å; D552-R556 VanDerWaalsContact O-CG 3.24Å; D552-R556 WeakPolarHBondContact O-CG 3.42Å; D552-R556 PolarHBondContact O-N 3.23Å; D552-R556 PolarHBondContact O-NE 3.04Å; D552-R556 VanDerWaalsContact O-NE 3.08Å
553	A	93.6	Very high	94.5	Very high	12 Å²	12	56.9 Å²	56.9	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-73.3	-44.5	175.7	0	0	0	0	0	111.9	Y479 K549 R550 R551 R556 M557	Y479-A553 HydrophobicContact CE1-CB 4.2Å; Y479-A553 HydrophobicContact CE2-CB 3.87Å; Y479-A553 WeakPolarHBondContact OH-CB 3.43Å; K549-A553 WeakPolarHBondContact O-CB 3.49Å; K549-A553 PolarHBondContact O-N 3.42Å; K549-A553 VanDerWaalsContact O-N 3.11Å; R550-A553 PolarHBondContact O-N 3.48Å; R551-A553 PolarHBondContact O-N 3Å; A553-R556 PolarHBondContact O-N 3.44Å; A553-M557 WeakPolarHBondContact O-CB 3.49Å; A553-M557 PolarHBondContact O-N 3.43Å
554	L	94.9	Very high	94.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-48.1	177.1	-76	169.2	0	0	0	111.8	Y479 V487 L490 L491 H494 R550 R551 R556 M557 E558	Y479-L554 HydrophobicContact CD1-CD2 3.79Å; Y479-L554 HydrophobicContact CD1-CG 4.18Å; Y479-L554 HydrophobicContact CG-CD2 3.87Å; V487-L554 HydrophobicContact CG1-CD2 4.32Å; L490-L554 HydrophobicContact CB-CD2 3.98Å; L490-L554 HydrophobicContact CD1-CD2 4.43Å; L491-L554 HydrophobicContact CD1-CB 3.88Å; L491-L554 HydrophobicContact CG-CB 4.18Å; H494-L554 HydrophobicContact CB-CD1 3.94Å; R550-L554 HydrophobicContact CG-CD1 3.93Å; R550-L554 HydrophobicContact CG-CG 4.36Å; R550-L554 WeakPolarHBondContact O-CB 3.48Å; R550-L554 WeakPolarHBondContact O-CG 3.36Å; R550-L554 PolarHBondContact O-N 3.23Å; R551-L554 PolarHBondContact O-N 2.84Å; R551-L554 VanDerWaalsContact O-N 3.12Å; L554-R556 PolarHBondContact O-N 3.38Å; L554-M557 PolarHBondContact O-N 3.39Å; L554-E558 PolarHBondContact O-N 2.99Å
555	E	95.2	Very high	94.1	Very high	73 Å²	73	58.7 Å²	58.7	34%	0.341	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-39.9	178.5	-71	-179.8	-179.3	0	0	111.6	L491 R551 K559	L491-E555 HydrophobicContact CD1-CG 4.12Å; L491-E555 HydrophobicContact CD2-CG 4.39Å; R551-E555 HydrophobicContact CG-CG 4.31Å; R551-E555 WeakPolarHBondContact CG-OE1 3.49Å; R551-E555 IonicContact CZ-OE1 2.92Å; R551-E555 IonicContact NE-OE1 3.17Å; R551-E555 PolarHBondContact NE-OE1 3.44Å; R551-E555 IonicContact NH2-OE1 3.52Å; R551-E555 PolarHBondContact NH2-OE1 3.41Å; R551-E555 WeakPolarHBondContact O-CG 3.35Å; R551-E555 PolarHBondContact O-N 3.07Å; E555-K559 WeakPolarHBondContact O-CB 3.39Å; E555-K559 PolarHBondContact O-N 2.85Å; E555-K559 VanDerWaalsContact O-N 3.07Å
556	R	93.8	Very high	94	Very high	169 Å²	169	63.1 Å²	63.1	64%	0.638	29%	0.285	S	S	*	.	H	α-helix	trans	-63.1	-44.4	173	-82	-173.8	-66.2	176.5	0	112	D552 A553 L554 K559 L560	D552-R556 VanDerWaalsContact O-CB 3.29Å; D552-R556 WeakPolarHBondContact O-CB 3.42Å; D552-R556 VanDerWaalsContact O-CG 3.24Å; D552-R556 WeakPolarHBondContact O-CG 3.42Å; D552-R556 PolarHBondContact O-N 3.23Å; D552-R556 PolarHBondContact O-NE 3.04Å; D552-R556 VanDerWaalsContact O-NE 3.08Å; A553-R556 PolarHBondContact O-N 3.44Å; L554-R556 PolarHBondContact O-N 3.38Å; R556-K559 PolarHBondContact O-N 3.4Å; R556-L560 WeakPolarHBondContact O-CG 3.35Å; R556-L560 PolarHBondContact O-N 3.24Å; R556-L560 VanDerWaalsContact O-N 3.08Å
557	M	92.8	Very high	93.9	Very high	17 Å²	17	62.2 Å²	62.2	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-44.3	179.2	-174.3	59.6	70.4	0	0	111.4	Y479 V487 A553 L554 K559 L560 L561 L641	Y479-M557 HydrophobicContact CD2-CB 4.4Å; Y479-M557 HydrophobicContact CD2-CE 4.26Å; V487-M557 HydrophobicContact CG1-CB 4.4Å; V487-M557 HydrophobicContact CG1-CG 4.42Å; V487-M557 HydrophobicContact CG2-CG 4.08Å; A553-M557 WeakPolarHBondContact O-CB 3.49Å; A553-M557 PolarHBondContact O-N 3.43Å; L554-M557 PolarHBondContact O-N 3.39Å; M557-K559 VanDerWaalsContact C-N 3.33Å; M557-K559 PolarHBondContact O-N 2.84Å; M557-L560 PolarHBondContact O-N 2.86Å; M557-L561 HydrophobicContact CG-CD1 4.05Å; M557-L561 HydrophobicContact CG-CG 4.44Å; M557-L561 WeakPolarHBondContact O-CG 3.35Å; M557-L561 PolarHBondContact O-N 3.43Å; M557-L561 HydrophobicContact SD-CD1 4.33Å; M557-L561 HydrophobicContact SD-CG 4.25Å; M557-L641 HydrophobicContact CE-CD2 3.73Å; M557-L641 HydrophobicContact SD-CD2 3.57Å; M557-L641 VanDerWaalsContact SD-CD2 3.57Å
558	E	94.1	Very high	93.7	Very high	45 Å²	45	62.7 Å²	62.7	21%	0.21	28%	0.282	C	S	.	.	H	α-helix	trans	-55.7	-49.2	175.5	-173.5	-172.9	-169.6	0	0	110.8	L484 V487 R488 L491 L554 L560 L561 E562	L484-E558 HydrophobicContact CD1-CG 4.02Å; V487-E558 HydrophobicContact CG1-CB 4.04Å; R488-E558 HydrophobicContact CG-CG 4.18Å; R488-E558 WeakPolarHBondContact CG-OE1 3.38Å; R488-E558 IonicContact CZ-OE1 3.28Å; R488-E558 IonicContact NE-OE1 3.9Å; R488-E558 PolarHBondContact NE-OE1 3.13Å; R488-E558 IonicContact NH2-OE1 2.71Å; L491-E558 HydrophobicContact CD1-CB 4.33Å; L491-E558 WeakPolarHBondContact CD1-OE2 3.36Å; L554-E558 PolarHBondContact O-N 2.99Å; E558-L560 VanDerWaalsContact C-N 3.33Å; E558-L560 PolarHBondContact O-N 3.45Å; E558-L561 PolarHBondContact O-N 2.97Å; E558-E562 WeakPolarHBondContact O-CB 3.48Å; E558-E562 PolarHBondContact O-N 3.38Å
559	K	93.1	Very high	93.6	Very high	148 Å²	148	62.4 Å²	62.4	64%	0.643	28%	0.283	S	S	*	.	H	α-helix	trans	-61.8	-38.9	-179.5	-172	175.2	-175.8	175.6	0	113	E555 R556 M557 T563	E555-K559 WeakPolarHBondContact O-CB 3.39Å; E555-K559 PolarHBondContact O-N 2.85Å; E555-K559 VanDerWaalsContact O-N 3.07Å; R556-K559 PolarHBondContact O-N 3.4Å; M557-K559 VanDerWaalsContact C-N 3.33Å; M557-K559 PolarHBondContact O-N 2.84Å; K559-T563 WeakPolarHBondContact O-CB 3.49Å; K559-T563 PolarHBondContact O-N 3.42Å; K559-T563 PolarHBondContact O-OG1 3.1Å
560	L	91.9	Very high	93.5	Very high	32 Å²	32	59.9 Å²	59.9	17%	0.168	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-48.6	175.8	-73.2	174	0	0	0	111	R556 M557 E558 E562 T563 I564 I635 Y639 L641	R556-L560 WeakPolarHBondContact O-CG 3.35Å; R556-L560 PolarHBondContact O-N 3.24Å; R556-L560 VanDerWaalsContact O-N 3.08Å; M557-L560 PolarHBondContact O-N 2.86Å; E558-L560 VanDerWaalsContact C-N 3.33Å; E558-L560 PolarHBondContact O-N 3.45Å; L560-E562 PolarHBondContact O-N 3.11Å; L560-T563 WeakPolarHBondContact O-CB 3.41Å; L560-T563 PolarHBondContact O-N 3.08Å; L560-I564 WeakPolarHBondContact O-CG1 3.49Å; L560-I564 PolarHBondContact O-N 3.19Å; L560-I635 HydrophobicContact CD2-CG2 4.43Å; L560-Y639 HydrophobicContact CD1-CD1 3.82Å; L560-Y639 HydrophobicContact CD1-CD2 4.19Å; L560-Y639 HydrophobicContact CD1-CE1 4.23Å; L560-Y639 HydrophobicContact CD1-CG 3.79Å; L560-Y639 HydrophobicContact CD2-CD2 3.86Å; L560-Y639 HydrophobicContact CD2-CE1 4.43Å; L560-Y639 HydrophobicContact CD2-CE2 3.69Å; L560-Y639 HydrophobicContact CD2-CG 4.3Å; L560-L641 HydrophobicContact CB-CD1 4.45Å
561	L	91.4	Very high	93.5	Very high	31 Å²	31	59.2 Å²	59.2	16%	0.162	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-37.9	179.3	-68.9	176.2	0	0	0	112	L484 V487 M557 E558 T563 I564 D565	L484-L561 HydrophobicContact CB-CB 4.13Å; L484-L561 HydrophobicContact CD1-CB 3.85Å; V487-L561 HydrophobicContact CB-CD1 4.47Å; V487-L561 HydrophobicContact CG2-CD1 3.79Å; M557-L561 HydrophobicContact CG-CD1 4.05Å; M557-L561 HydrophobicContact CG-CG 4.44Å; M557-L561 WeakPolarHBondContact O-CG 3.35Å; M557-L561 PolarHBondContact O-N 3.43Å; M557-L561 HydrophobicContact SD-CD1 4.33Å; M557-L561 HydrophobicContact SD-CG 4.25Å; E558-L561 PolarHBondContact O-N 2.97Å; L561-T563 VanDerWaalsContact C-N 3.34Å; L561-I564 PolarHBondContact O-N 2.89Å; L561-D565 WeakPolarHBondContact O-CB 3.46Å; L561-D565 PolarHBondContact O-N 3.14Å
562	E	93.2	Very high	93.4	Very high	91 Å²	91	55.7 Å²	55.7	43%	0.425	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-36.7	174.2	-176	170.9	-130.6	0	0	112.1	L484 R488 E558 L560 D565 R566	L484-E562 HydrophobicContact CD1-CB 4.36Å; R488-E562 IonicContact NH2-OE1 3.96Å; R488-E562 PolarHBondContact NH2-OE1 3.43Å; E558-E562 WeakPolarHBondContact O-CB 3.48Å; E558-E562 PolarHBondContact O-N 3.38Å; L560-E562 PolarHBondContact O-N 3.11Å; E562-D565 PolarHBondContact O-N 3.11Å; E562-R566 WeakPolarHBondContact O-CB 3.35Å; E562-R566 PolarHBondContact O-N 3.05Å
563	T	92.9	Very high	93.4	Very high	42 Å²	42	61.7 Å²	61.7	26%	0.258	28%	0.276	S	S	.	.	H	α-helix	trans	-64.6	-42.9	173.8	-56.7	0	0	0	0	111	K559 L560 L561 L567 I635	K559-T563 WeakPolarHBondContact O-CB 3.49Å; K559-T563 PolarHBondContact O-N 3.42Å; K559-T563 PolarHBondContact O-OG1 3.1Å; L560-T563 WeakPolarHBondContact O-CB 3.41Å; L560-T563 PolarHBondContact O-N 3.08Å; L561-T563 VanDerWaalsContact C-N 3.34Å; T563-L567 HydrophobicContact CG2-CD1 4.33Å; T563-L567 WeakPolarHBondContact O-CG 3.46Å; T563-L567 PolarHBondContact O-N 3.05Å; T563-L567 VanDerWaalsContact O-N 3.08Å; T563-I635 HydrophobicContact CG2-CD1 4.19Å
564	I	91.3	Very high	93.5	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.062	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-47.4	176.4	-68.8	166.8	0	0	0	110.7	L560 L561 R566 L567 Q568 I632 I635 L641	L560-I564 WeakPolarHBondContact O-CG1 3.49Å; L560-I564 PolarHBondContact O-N 3.19Å; L561-I564 PolarHBondContact O-N 2.89Å; I564-R566 VanDerWaalsContact C-N 3.32Å; I564-R566 PolarHBondContact O-N 2.89Å; I564-L567 PolarHBondContact O-N 3.1Å; I564-Q568 HydrophobicContact CG2-CG 4.29Å; I564-Q568 WeakPolarHBondContact O-CG 3.45Å; I564-Q568 PolarHBondContact O-N 3.38Å; I564-I632 HydrophobicContact CG2-CG2 4.13Å; I564-I635 HydrophobicContact CD1-CG2 4.03Å; I564-I635 HydrophobicContact CG1-CG2 4.06Å; I564-L641 HydrophobicContact CD1-CD1 3.81Å
565	D	91.7	Very high	93.5	Very high	54 Å²	54	64.3 Å²	64.3	29%	0.289	28%	0.283	S	S	.	.	H	α-helix	trans	-56.2	-45.8	177.9	-170.7	84	0	0	0	111.3	L484 L561 E562 L567 Q568 L569 Y649	L484-D565 HydrophobicContact CD2-CB 4.01Å; L561-D565 WeakPolarHBondContact O-CB 3.46Å; L561-D565 PolarHBondContact O-N 3.14Å; E562-D565 PolarHBondContact O-N 3.11Å; D565-L567 PolarHBondContact O-N 3.41Å; D565-Q568 WeakPolarHBondContact O-CB 3.47Å; D565-Q568 PolarHBondContact O-N 3.26Å; D565-L569 PolarHBondContact O-N 2.77Å; D565-Y649 PolarHBondContact OD1-OH 2.99Å; D565-Y649 PolarHBondContact OD2-OH 3.28Å
566	R	94	Very high	93.4	Very high	160 Å²	160	62.7 Å²	62.7	60%	0.604	28%	0.282	S	S	*	.	H	α-helix	trans	-60.9	-45.4	175.3	-173.5	-177.5	68.7	172.1	2.3	112.8	E562 I564 Q568 L569 E570	E562-R566 WeakPolarHBondContact O-CB 3.35Å; E562-R566 PolarHBondContact O-N 3.05Å; I564-R566 VanDerWaalsContact C-N 3.32Å; I564-R566 PolarHBondContact O-N 2.89Å; R566-Q568 VanDerWaalsContact C-N 3.35Å; R566-L569 PolarHBondContact O-N 2.83Å; R566-E570 PolarHBondContact O-N 3.05Å
567	L	93.4	Very high	93.5	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.052	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-37.4	177.6	-70.8	170.6	0	0	0	111.5	T563 I564 D565 L569 E570 F571 I628 E631 I632 I635	T563-L567 HydrophobicContact CG2-CD1 4.33Å; T563-L567 WeakPolarHBondContact O-CG 3.46Å; T563-L567 PolarHBondContact O-N 3.05Å; T563-L567 VanDerWaalsContact O-N 3.08Å; I564-L567 PolarHBondContact O-N 3.1Å; D565-L567 PolarHBondContact O-N 3.41Å; L567-L569 VanDerWaalsContact C-N 3.34Å; L567-E570 PolarHBondContact O-N 2.9Å; L567-F571 WeakPolarHBondContact O-CB 3.16Å; L567-F571 PolarHBondContact O-N 3.06Å; L567-I628 HydrophobicContact CB-CG2 4.1Å; L567-I628 HydrophobicContact CD2-CG2 4.24Å; L567-I628 VanDerWaalsContact O-CG2 3.27Å; L567-I628 WeakPolarHBondContact O-CG2 3.38Å; L567-E631 HydrophobicContact CD1-CB 4.42Å; L567-I632 HydrophobicContact CB-CD1 3.79Å; L567-I632 HydrophobicContact CB-CG1 3.59Å; L567-I632 HydrophobicContact CD1-CG1 3.98Å; L567-I632 HydrophobicContact CG-CG1 4.44Å; L567-I635 HydrophobicContact CD1-CD1 3.82Å
568	Q	92.1	Very high	93.7	Very high	13 Å²	13	58.2 Å²	58.2	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-41.9	174.3	-75.6	179.9	-14.4	0	0	111.4	I564 D565 R566 F571 A572 I632 N647 Y649	I564-Q568 HydrophobicContact CG2-CG 4.29Å; I564-Q568 WeakPolarHBondContact O-CG 3.45Å; I564-Q568 PolarHBondContact O-N 3.38Å; D565-Q568 WeakPolarHBondContact O-CB 3.47Å; D565-Q568 PolarHBondContact O-N 3.26Å; R566-Q568 VanDerWaalsContact C-N 3.35Å; Q568-F571 PolarHBondContact O-N 3.44Å; Q568-A572 PolarHBondContact O-N 3.03Å; Q568-I632 HydrophobicContact CG-CD1 3.88Å; Q568-N647 PolarHBondContact O-ND2 3.28Å; Q568-Y649 HydrophobicContact CB-CD2 4.02Å; Q568-Y649 HydrophobicContact CB-CE2 3.95Å
569	L	93.9	Very high	93.8	Very high	89 Å²	89	56.6 Å²	56.6	47%	0.466	27%	0.268	S	S	.	.	H	α-helix	trans	-65.3	-41.5	174.6	-178.2	62.8	0	0	0	111.8	D565 R566 L567 A572 R573 Y649	D565-L569 PolarHBondContact O-N 2.77Å; R566-L569 PolarHBondContact O-N 2.83Å; L567-L569 VanDerWaalsContact C-N 3.34Å; L569-A572 PolarHBondContact O-N 3.08Å; L569-R573 WeakPolarHBondContact O-CB 3.33Å; L569-R573 PolarHBondContact O-N 3.49Å; L569-Y649 HydrophobicContact CB-CD2 4.02Å; L569-Y649 HydrophobicContact CB-CE2 3.83Å; L569-Y649 HydrophobicContact CD1-CD1 4Å; L569-Y649 HydrophobicContact CD1-CD2 4.29Å; L569-Y649 HydrophobicContact CD1-CE1 4.26Å; L569-Y649 HydrophobicContact CD1-CG 4.01Å
570	E	93.7	Very high	93.8	Very high	81 Å²	81	54.7 Å²	54.7	38%	0.379	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-43.5	176.8	-168.2	-178.9	164.4	0	0	111.9	R566 L567 A572 R573 R574 I628	R566-E570 PolarHBondContact O-N 3.05Å; L567-E570 PolarHBondContact O-N 2.9Å; E570-A572 PolarHBondContact O-N 3.23Å; E570-R573 PolarHBondContact O-N 2.82Å; E570-R574 PolarHBondContact O-N 2.86Å; E570-R574 VanDerWaalsContact O-N 3.15Å; E570-I628 HydrophobicContact CB-CD1 4.4Å; E570-I628 HydrophobicContact CG-CD1 3.85Å
571	F	94.5	Very high	94	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-55	-52.6	172	176.5	-86.2	0	0	0	110.6	L567 Q568 R573 R574 A575 I625 M626 I628 Q629 N647 I650 P654 I657	L567-F571 WeakPolarHBondContact O-CB 3.16Å; L567-F571 PolarHBondContact O-N 3.06Å; Q568-F571 PolarHBondContact O-N 3.44Å; F571-R573 VanDerWaalsContact C-N 3.31Å; F571-R573 PolarHBondContact O-N 3.26Å; F571-R574 PolarHBondContact O-N 2.96Å; F571-A575 HydrophobicContact CD1-CB 4.13Å; F571-A575 HydrophobicContact CE1-CB 3.85Å; F571-A575 HydrophobicContact CZ-CB 4.17Å; F571-A575 WeakPolarHBondContact O-CB 3.45Å; F571-A575 PolarHBondContact O-N 2.87Å; F571-I625 HydrophobicContact CD2-CG2 3.71Å; F571-I625 WeakPolarHBondContact CD2-O 3.41Å; F571-I625 HydrophobicContact CE2-CG2 3.44Å; F571-I625 VanDerWaalsContact CE2-CG2 3.44Å; F571-I625 HydrophobicContact CZ-CG2 4.15Å; F571-M626 HydrophobicContact CE2-CE 4.13Å; F571-I628 HydrophobicContact CB-CG2 3.96Å; F571-Q629 HydrophobicContact CD2-CB 4.38Å; F571-Q629 HydrophobicContact CE2-CB 4.33Å; F571-N647 WeakPolarHBondContact CD1-ND2 3.32Å; F571-I650 HydrophobicContact CD1-CG2 4.01Å; F571-I650 HydrophobicContact CE1-CG2 3.98Å; F571-P654 HydrophobicContact CE2-CG 4.2Å; F571-P654 HydrophobicContact CZ-CG 4.04Å; F571-I657 HydrophobicContact CZ-CD1 3.98Å
572	A	94.1	Very high	94.3	Very high	8 Å²	8	55.6 Å²	55.6	7%	0.066	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-41.7	-179	0	0	0	0	0	112.5	Q568 L569 E570 R574 A576 I650	Q568-A572 PolarHBondContact O-N 3.03Å; L569-A572 PolarHBondContact O-N 3.08Å; E570-A572 PolarHBondContact O-N 3.23Å; A572-R574 VanDerWaalsContact C-N 3.3Å; A572-R574 PolarHBondContact O-N 3.26Å; A572-A576 WeakPolarHBondContact O-CB 3.46Å; A572-A576 PolarHBondContact O-N 3.04Å; A572-A576 VanDerWaalsContact O-N 3.1Å; A572-I650 HydrophobicContact CB-CB 3.76Å; A572-I650 HydrophobicContact CB-CG2 3.74Å
573	R	95.4	Very high	94.3	Very high	207 Å²	207	53.8 Å²	53.8	78%	0.781	26%	0.257	S	S	*	.	H	α-helix	trans	-61.2	-36	179.3	-167	-175.7	-151.4	174.7	7.4	113.1	L569 E570 F571 P577	L569-R573 WeakPolarHBondContact O-CB 3.33Å; L569-R573 PolarHBondContact O-N 3.49Å; E570-R573 PolarHBondContact O-N 2.82Å; F571-R573 VanDerWaalsContact C-N 3.31Å; F571-R573 PolarHBondContact O-N 3.26Å; R573-P577 WeakPolarHBondContact O-CD 3.27Å; R573-P577 VanDerWaalsContact O-CG 3.32Å; R573-P577 WeakPolarHBondContact O-CG 3.46Å
574	R	95.9	Very high	94.4	Very high	67 Å²	67	52.9 Å²	52.9	25%	0.253	26%	0.256	S	S	.	.	H	α-helix	trans	-89.6	-39.9	-179.9	-64.3	178.9	71.2	169.1	6.8	112.3	E570 F571 A572 A576 P577 F578 E621 I625	E570-R574 PolarHBondContact O-N 2.86Å; E570-R574 VanDerWaalsContact O-N 3.15Å; F571-R574 PolarHBondContact O-N 2.96Å; A572-R574 VanDerWaalsContact C-N 3.3Å; A572-R574 PolarHBondContact O-N 3.26Å; R574-A576 PolarHBondContact O-N 3.5Å; R574-P577 WeakPolarHBondContact O-CD 3.47Å; R574-P577 WeakPolarHBondContact O-CG 3.4Å; R574-F578 VanDerWaalsContact O-CB 3.25Å; R574-F578 WeakPolarHBondContact O-CB 3.37Å; R574-F578 PolarHBondContact O-N 3.12Å; R574-E621 IonicContact CZ-OE1 2.82Å; R574-E621 VanDerWaalsContact CZ-OE1 3.27Å; R574-E621 IonicContact CZ-OE2 3.58Å; R574-E621 IonicContact NE-OE1 3.61Å; R574-E621 PolarHBondContact NE-OE1 2.96Å; R574-E621 IonicContact NE-OE2 3.6Å; R574-E621 IonicContact NH2-OE1 2.56Å; R574-E621 PolarHBondContact NH2-OE1 3.43Å; R574-E621 IonicContact NH2-OE2 2.78Å; R574-E621 PolarHBondContact NH2-OE2 3.36Å; R574-I625 HydrophobicContact CB-CD1 4.1Å; R574-I625 HydrophobicContact CB-CG1 3.71Å
575	A	94.9	Very high	94.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-40.1	-179.5	0	0	0	0	0	113.1	F571 N579 I625 I650 I657	F571-A575 HydrophobicContact CD1-CB 4.13Å; F571-A575 HydrophobicContact CE1-CB 3.85Å; F571-A575 HydrophobicContact CZ-CB 4.17Å; F571-A575 WeakPolarHBondContact O-CB 3.45Å; F571-A575 PolarHBondContact O-N 2.87Å; A575-N579 WeakPolarHBondContact O-CB 3.33Å; A575-N579 PolarHBondContact O-N 3.19Å; A575-I625 HydrophobicContact CB-CG2 4.23Å; A575-I650 HydrophobicContact CB-CD1 4.01Å; A575-I657 HydrophobicContact CB-CD1 3.7Å
576	A	94.1	Very high	94.6	Very high	38 Å²	38	50.6 Å²	50.6	31%	0.314	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-56.7	-179.5	0	0	0	0	0	113.8	A572 R574 F578 N579 N580 I650	A572-A576 WeakPolarHBondContact O-CB 3.46Å; A572-A576 PolarHBondContact O-N 3.04Å; A572-A576 VanDerWaalsContact O-N 3.1Å; R574-A576 PolarHBondContact O-N 3.5Å; A576-F578 VanDerWaalsContact C-N 3.32Å; A576-F578 PolarHBondContact O-N 3.17Å; A576-N579 PolarHBondContact O-N 3Å; A576-N580 PolarHBondContact O-N 2.86Å; A576-N580 PolarHBondContact O-OD1 3Å; A576-I650 HydrophobicContact CB-CD1 3.8Å
577	P	95.4	Very high	94.6	Very high	79 Å²	79	49.7 Å²	49.7	51%	0.513	25%	0.247	S	C	.	.	H	α-helix	trans	-65.7	-35.4	178.1	26.1	-34.4	0	0	0	112.1	R573 R574 N579 N580 W581	R573-P577 WeakPolarHBondContact O-CD 3.27Å; R573-P577 VanDerWaalsContact O-CG 3.32Å; R573-P577 WeakPolarHBondContact O-CG 3.46Å; R574-P577 WeakPolarHBondContact O-CD 3.47Å; R574-P577 WeakPolarHBondContact O-CG 3.4Å; P577-N579 VanDerWaalsContact C-N 3.34Å; P577-N579 PolarHBondContact O-N 3.47Å; P577-N580 PolarHBondContact O-N 3.48Å; P577-W581 PolarHBondContact O-N 3.44Å
578	F	96.8	Very high	94.5	Very high	13 Å²	13	54.6 Å²	54.6	6%	0.057	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-39.3	175.8	-173.7	-111.2	0	0	0	112.1	R574 A576 W581 L582 A618 E621 R622 I625 I657 W661	R574-F578 VanDerWaalsContact O-CB 3.25Å; R574-F578 WeakPolarHBondContact O-CB 3.37Å; R574-F578 PolarHBondContact O-N 3.12Å; A576-F578 VanDerWaalsContact C-N 3.32Å; A576-F578 PolarHBondContact O-N 3.17Å; F578-W581 HydrophobicContact CD2-CE3 4.27Å; F578-W581 AromaticContact CE2-CE3 3.89Å; F578-W581 HydrophobicContact CE2-CE3 3.89Å; F578-W581 HydrophobicContact CE2-CZ3 4.07Å; F578-W581 HydrophobicContact CZ-CE3 4.44Å; F578-W581 HydrophobicContact CZ-CZ3 4.37Å; F578-W581 WeakPolarHBondContact O-CB 3.48Å; F578-W581 PolarHBondContact O-N 2.96Å; F578-L582 HydrophobicContact CD1-CD1 3.92Å; F578-L582 HydrophobicContact CD1-CG 4.42Å; F578-L582 HydrophobicContact CE1-CD1 3.68Å; F578-L582 HydrophobicContact CE1-CG 4.13Å; F578-L582 HydrophobicContact CZ-CD1 4.38Å; F578-L582 HydrophobicContact CZ-CD2 4.48Å; F578-L582 HydrophobicContact CZ-CG 4.38Å; F578-L582 WeakPolarHBondContact O-CG 3.49Å; F578-L582 PolarHBondContact O-N 2.95Å; F578-A618 HydrophobicContact CE2-CB 4.06Å; F578-A618 WeakPolarHBondContact CE2-O 3.34Å; F578-A618 WeakPolarHBondContact CZ-O 3.4Å; F578-E621 HydrophobicContact CD2-CB 4.29Å; F578-E621 HydrophobicContact CD2-CG 3.92Å; F578-E621 HydrophobicContact CE2-CB 4.26Å; F578-E621 HydrophobicContact CE2-CG 4.39Å; F578-E621 HydrophobicContact CG-CG 4.44Å; F578-R622 HydrophobicContact CE1-CB 3.84Å; F578-R622 HydrophobicContact CE1-CG 4.18Å; F578-R622 HydrophobicContact CZ-CB 3.75Å; F578-R622 HydrophobicContact CZ-CG 4.48Å; F578-I625 HydrophobicContact CB-CD1 3.69Å; F578-I625 HydrophobicContact CD1-CD1 3.76Å; F578-I625 HydrophobicContact CG-CD1 3.75Å; F578-I657 HydrophobicContact CD1-CG2 3.81Å; F578-I657 HydrophobicContact CE1-CG2 3.67Å; F578-W661 AromaticContact CZ-CE3 3.96Å; F578-W661 HydrophobicContact CZ-CE3 3.96Å; F578-W661 HydrophobicContact CZ-CZ3 4.22Å
579	N	95.6	Very high	94.5	Very high	11 Å²	11	54.8 Å²	54.8	6%	0.059	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-41.7	173.6	178.2	85.1	0	0	0	112.1	A575 A576 P577 W581 L582 D583 L652 K660	A575-N579 WeakPolarHBondContact O-CB 3.33Å; A575-N579 PolarHBondContact O-N 3.19Å; A576-N579 PolarHBondContact O-N 3Å; P577-N579 VanDerWaalsContact C-N 3.34Å; P577-N579 PolarHBondContact O-N 3.47Å; N579-W581 VanDerWaalsContact C-N 3.27Å; N579-W581 PolarHBondContact O-N 2.75Å; N579-L582 WeakPolarHBondContact O-CB 3.48Å; N579-L582 PolarHBondContact O-N 3.39Å; N579-L582 VanDerWaalsContact O-N 3.16Å; N579-D583 PolarHBondContact ND2-OD2 2.87Å; N579-D583 PolarHBondContact O-N 2.87Å; N579-L652 HydrophobicContact CB-CD1 3.39Å; N579-L652 VanDerWaalsContact CG-CD1 3.46Å; N579-K660 PolarHBondContact ND2-NZ 2.96Å; N579-K660 WeakPolarHBondContact OD1-CD 3.44Å; N579-K660 WeakPolarHBondContact OD1-CE 3.47Å; N579-K660 PolarHBondContact OD1-NZ 3.17Å
580	N	94.6	Very high	94.4	Very high	109 Å²	109	55.7 Å²	55.7	58%	0.583	28%	0.277	S	S	*	.	H	α-helix	trans	-63.1	-38	175.8	-67.1	-5.4	0	0	0	111.5	A576 P577 D583 G584	A576-N580 PolarHBondContact O-N 2.86Å; A576-N580 PolarHBondContact O-OD1 3Å; P577-N580 PolarHBondContact O-N 3.48Å; N580-D583 PolarHBondContact O-N 3.28Å; N580-G584 PolarHBondContact O-N 3.4Å
581	W	96.1	Very high	94.2	Very high	82 Å²	82	57.2 Å²	57.2	31%	0.311	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-41.2	172.7	176.5	85.4	0	0	0	111.8	P577 F578 N579 G584 A585 F611 L615 A618 W661	P577-W581 PolarHBondContact O-N 3.44Å; F578-W581 HydrophobicContact CD2-CE3 4.27Å; F578-W581 AromaticContact CE2-CE3 3.89Å; F578-W581 HydrophobicContact CE2-CE3 3.89Å; F578-W581 HydrophobicContact CE2-CZ3 4.07Å; F578-W581 HydrophobicContact CZ-CE3 4.44Å; F578-W581 HydrophobicContact CZ-CZ3 4.37Å; F578-W581 WeakPolarHBondContact O-CB 3.48Å; F578-W581 PolarHBondContact O-N 2.96Å; N579-W581 VanDerWaalsContact C-N 3.27Å; N579-W581 PolarHBondContact O-N 2.75Å; W581-G584 PolarHBondContact O-N 3.14Å; W581-A585 VanDerWaalsContact O-CB 3.24Å; W581-A585 WeakPolarHBondContact O-CB 3.43Å; W581-A585 PolarHBondContact O-N 3.19Å; W581-F611 AromaticContact CZ2-CE2 3.96Å; W581-F611 HydrophobicContact CZ2-CE2 3.96Å; W581-F611 HydrophobicContact CZ2-CZ 4.32Å; W581-L615 HydrophobicContact CH2-CD2 3.97Å; W581-L615 HydrophobicContact CZ2-CD2 4.45Å; W581-A618 HydrophobicContact CE3-CB 4.37Å; W581-A618 HydrophobicContact CH2-CB 3.38Å; W581-A618 HydrophobicContact CZ2-CB 3.87Å; W581-A618 HydrophobicContact CZ3-CB 3.66Å; W581-W661 HydrophobicContact CH2-CZ3 4.04Å; W581-W661 HydrophobicContact CZ3-CE3 4.29Å; W581-W661 AromaticContact CZ3-CZ3 3.85Å; W581-W661 HydrophobicContact CZ3-CZ3 3.85Å
582	L	95.9	Very high	93.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-43.9	174.1	-76.5	170	0	0	0	112.1	F578 N579 A585 V586 I657 K660 W661 V664	F578-L582 HydrophobicContact CD1-CD1 3.92Å; F578-L582 HydrophobicContact CD1-CG 4.42Å; F578-L582 HydrophobicContact CE1-CD1 3.68Å; F578-L582 HydrophobicContact CE1-CG 4.13Å; F578-L582 HydrophobicContact CZ-CD1 4.38Å; F578-L582 HydrophobicContact CZ-CD2 4.48Å; F578-L582 HydrophobicContact CZ-CG 4.38Å; F578-L582 WeakPolarHBondContact O-CG 3.49Å; F578-L582 PolarHBondContact O-N 2.95Å; N579-L582 WeakPolarHBondContact O-CB 3.48Å; N579-L582 PolarHBondContact O-N 3.39Å; N579-L582 VanDerWaalsContact O-N 3.16Å; L582-A585 PolarHBondContact O-N 3.2Å; L582-V586 WeakPolarHBondContact O-CG2 3.36Å; L582-V586 PolarHBondContact O-N 3.45Å; L582-I657 HydrophobicContact CD1-CG2 4.14Å; L582-K660 HydrophobicContact CB-CB 4.24Å; L582-K660 HydrophobicContact CB-CD 4.47Å; L582-K660 HydrophobicContact CD1-CB 3.91Å; L582-K660 HydrophobicContact CG-CB 4.49Å; L582-W661 HydrophobicContact CD2-CB 4.32Å; L582-W661 HydrophobicContact CD2-CE3 3.96Å; L582-V664 HydrophobicContact CD2-CG2 3.87Å
583	D	94.4	Very high	93.5	Very high	53 Å²	53	66.1 Å²	66.1	28%	0.283	33%	0.334	S	S	.	.	H	α-helix	trans	-63.8	-48	178.5	-70.7	-34.2	0	0	0	110.8	N579 N580 A585 V586 E587 K660	N579-D583 PolarHBondContact ND2-OD2 2.87Å; N579-D583 PolarHBondContact O-N 2.87Å; N580-D583 PolarHBondContact O-N 3.28Å; D583-A585 PolarHBondContact O-N 2.94Å; D583-V586 PolarHBondContact O-N 3.24Å; D583-E587 WeakPolarHBondContact O-CG 3.35Å; D583-E587 PolarHBondContact O-N 3.18Å; D583-K660 WeakPolarHBondContact OD1-CD 3.47Å; D583-K660 WeakPolarHBondContact OD1-CE 3.1Å; D583-K660 IonicContact OD1-NZ 2.65Å; D583-K660 PolarHBondContact OD1-NZ 3.12Å; D583-K660 IonicContact OD2-NZ 3.76Å; D583-K660 PolarHBondContact OD2-NZ 2.98Å
584	G	93.9	Very high	93.2	Very high	23 Å²	23	62.9 Å²	62.9	24%	0.237	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-41.4	174.7	0	0	0	0	0	112.9	N580 W581 V586 E587 D588	N580-G584 PolarHBondContact O-N 3.4Å; W581-G584 PolarHBondContact O-N 3.14Å; G584-V586 VanDerWaalsContact C-N 3.33Å; G584-V586 PolarHBondContact O-N 3.5Å; G584-E587 PolarHBondContact O-N 3.46Å; G584-D588 WeakPolarHBondContact O-CB 3.48Å; G584-D588 VanDerWaalsContact O-CG 3.25Å; G584-D588 PolarHBondContact O-N 3.48Å
585	A	94.1	Very high	92.9	Very high	2 Å²	2	60 Å²	60	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-38.1	175.6	0	0	0	0	0	112.7	W581 L582 D583 L589 F611 V664	W581-A585 VanDerWaalsContact O-CB 3.24Å; W581-A585 WeakPolarHBondContact O-CB 3.43Å; W581-A585 PolarHBondContact O-N 3.19Å; L582-A585 PolarHBondContact O-N 3.2Å; D583-A585 PolarHBondContact O-N 2.94Å; A585-L589 VanDerWaalsContact O-CB 3.29Å; A585-L589 WeakPolarHBondContact O-CB 3.25Å; A585-L589 VanDerWaalsContact O-CD1 3.3Å; A585-L589 WeakPolarHBondContact O-CD1 3.45Å; A585-L589 WeakPolarHBondContact O-CG 3.48Å; A585-L589 PolarHBondContact O-N 3.36Å; A585-L589 VanDerWaalsContact O-N 3.1Å; A585-F611 HydrophobicContact CB-CE2 3.87Å; A585-F611 HydrophobicContact CB-CZ 3.74Å; A585-V664 HydrophobicContact CB-CG1 4.35Å; A585-V664 HydrophobicContact CB-CG2 4.04Å
586	V	94.3	Very high	92.5	Very high	16 Å²	16	65.4 Å²	65.4	10%	0.097	35%	0.346	C	S	.	.	H	α-helix	trans	-66.3	-44.8	174.6	169.5	0	0	0	0	110.6	L582 D583 G584 L589 Q590 M663 V664 L667	L582-V586 WeakPolarHBondContact O-CG2 3.36Å; L582-V586 PolarHBondContact O-N 3.45Å; D583-V586 PolarHBondContact O-N 3.24Å; G584-V586 VanDerWaalsContact C-N 3.33Å; G584-V586 PolarHBondContact O-N 3.5Å; V586-L589 PolarHBondContact O-N 2.97Å; V586-Q590 WeakPolarHBondContact O-CB 3.41Å; V586-Q590 VanDerWaalsContact O-CG 3.31Å; V586-Q590 WeakPolarHBondContact O-CG 3.5Å; V586-Q590 PolarHBondContact O-N 2.96Å; V586-Q590 VanDerWaalsContact O-N 3.17Å; V586-M663 HydrophobicContact CG1-CE 3.68Å; V586-M663 HydrophobicContact CG1-SD 4.2Å; V586-M663 HydrophobicContact CG2-CG 4.25Å; V586-M663 HydrophobicContact CG2-SD 4.29Å; V586-V664 HydrophobicContact CG2-CG2 3.61Å; V586-L667 HydrophobicContact CB-CD1 4.44Å; V586-L667 HydrophobicContact CG1-CD1 4.02Å; V586-L667 HydrophobicContact CG2-CD1 4.32Å
587	E	93.2	Very high	92.2	Very high	140 Å²	140	65 Å²	65	65%	0.654	34%	0.341	S	S	*	.	H	α-helix	trans	-59.8	-50.9	177.3	-71.7	178.1	176.2	0	0	111.4	D583 G584 L589 Q590 D591	D583-E587 WeakPolarHBondContact O-CG 3.35Å; D583-E587 PolarHBondContact O-N 3.18Å; G584-E587 PolarHBondContact O-N 3.46Å; E587-L589 VanDerWaalsContact C-N 3.33Å; E587-L589 PolarHBondContact O-N 3.49Å; E587-Q590 CarbonylContact O-C 3.53Å; E587-Q590 PolarHBondContact O-N 2.78Å; E587-Q590 VanDerWaalsContact O-N 3.12Å; E587-D591 PolarHBondContact O-N 3.42Å; E587-D591 VanDerWaalsContact O-N 3.11Å
588	D	91.6	Very high	92	Very high	114 Å²	114	63 Å²	63	61%	0.61	33%	0.327	S	S	*	.	H	α-helix	trans	-61	-39.5	-179.9	-70	-19.2	0	0	0	112.3	G584 Q590 D591	G584-D588 WeakPolarHBondContact O-CB 3.48Å; G584-D588 VanDerWaalsContact O-CG 3.25Å; G584-D588 PolarHBondContact O-N 3.48Å; D588-Q590 VanDerWaalsContact C-N 3.28Å; D588-Q590 PolarHBondContact O-N 3.48Å; D588-D591 WeakPolarHBondContact O-CB 3.46Å; D588-D591 PolarHBondContact O-N 2.94Å
589	L	92.4	Very high	91.7	Very high	16 Å²	16	69 Å²	69	8%	0.084	36%	0.355	C	S	.	.	H	α-helix	trans	-73.2	-19.9	179.3	-71.7	169.8	0	0	0	113.4	A585 V586 E587 F611 V664 L667 V668 C671	A585-L589 VanDerWaalsContact O-CB 3.29Å; A585-L589 WeakPolarHBondContact O-CB 3.25Å; A585-L589 VanDerWaalsContact O-CD1 3.3Å; A585-L589 WeakPolarHBondContact O-CD1 3.45Å; A585-L589 WeakPolarHBondContact O-CG 3.48Å; A585-L589 PolarHBondContact O-N 3.36Å; A585-L589 VanDerWaalsContact O-N 3.1Å; V586-L589 PolarHBondContact O-N 2.97Å; E587-L589 VanDerWaalsContact C-N 3.33Å; E587-L589 PolarHBondContact O-N 3.49Å; L589-F611 HydrophobicContact CD1-CE1 4.04Å; L589-F611 HydrophobicContact CD1-CZ 4.3Å; L589-F611 HydrophobicContact CD2-CD1 4.37Å; L589-F611 HydrophobicContact CD2-CE1 4.07Å; L589-F611 HydrophobicContact CG-CE1 4.26Å; L589-V664 HydrophobicContact CD1-CG1 3.99Å; L589-L667 HydrophobicContact CB-CB 4Å; L589-L667 HydrophobicContact CB-CD1 4.33Å; L589-L667 HydrophobicContact CD1-CB 3.85Å; L589-V668 HydrophobicContact CD1-CG2 3.72Å; L589-V668 HydrophobicContact CD2-CG2 4.08Å; L589-C671 HydrophobicContact CD2-CB 3.94Å
590	Q	91.6	Very high	91.5	Very high	109 Å²	109	72.6 Å²	72.6	51%	0.509	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	1.4	177.6	-68.1	-173.4	-39.7	0	0	112.9	V586 E587 D588 L667	V586-Q590 WeakPolarHBondContact O-CB 3.41Å; V586-Q590 VanDerWaalsContact O-CG 3.31Å; V586-Q590 WeakPolarHBondContact O-CG 3.5Å; V586-Q590 PolarHBondContact O-N 2.96Å; V586-Q590 VanDerWaalsContact O-N 3.17Å; E587-Q590 CarbonylContact O-C 3.53Å; E587-Q590 PolarHBondContact O-N 2.78Å; E587-Q590 VanDerWaalsContact O-N 3.12Å; D588-Q590 VanDerWaalsContact C-N 3.28Å; D588-Q590 PolarHBondContact O-N 3.48Å; Q590-L667 HydrophobicContact CG-CD1 3.91Å; Q590-L667 HydrophobicContact CG-CD2 4.1Å
591	D	90.2	Very high	91.4	Very high	113 Å²	113	67.4 Å²	67.4	60%	0.604	34%	0.344	S	S	*	.			trans	-64.3	146.3	-177.7	-167.2	21.6	0	0	0	112.2	E587 D588	E587-D591 PolarHBondContact O-N 3.42Å; E587-D591 VanDerWaalsContact O-N 3.11Å; D588-D591 WeakPolarHBondContact O-CB 3.46Å; D588-D591 PolarHBondContact O-N 2.94Å
592	V	87.3	Confident	91.2	Very high	131 Å²	131	67.8 Å²	67.8	79%	0.794	35%	0.349	S	S	*	.			trans	-103.3	104.6	-179.2	-178.2	0	0	0	0	108.6
593	W	86.8	Confident	91.1	Very high	66 Å²	66	71.4 Å²	71.4	25%	0.25	38%	0.375	C	S	.	.			trans	-86.4	144.5	179.1	35.3	-96.3	0	0	0	112.2	V595 L604 T674 L675 E678	W593-V595 HydrophobicContact CE3-CG2 4.1Å; W593-V595 HydrophobicContact CZ3-CG2 4.46Å; W593-L604 HydrophobicContact CB-CD1 3.72Å; W593-L604 HydrophobicContact CG-CD1 3.88Å; W593-T674 HydrophobicContact CH2-CG2 3.91Å; W593-T674 HydrophobicContact CZ2-CG2 3.5Å; W593-L675 HydrophobicContact CD2-CD2 4.36Å; W593-L675 HydrophobicContact CZ2-CD2 4.11Å; W593-E678 HydrophobicContact CE3-CB 4.41Å; W593-E678 HydrophobicContact CE3-CG 3.91Å; W593-E678 HydrophobicContact CH2-CB 3.29Å; W593-E678 HydrophobicContact CH2-CG 3.65Å; W593-E678 HydrophobicContact CZ2-CB 4.13Å; W593-E678 HydrophobicContact CZ3-CB 3.46Å; W593-E678 VanDerWaalsContact CZ3-CB 3.46Å; W593-E678 VanDerWaalsContact CZ3-CD 3.44Å; W593-E678 HydrophobicContact CZ3-CG 3.19Å; W593-E678 WeakPolarHBondContact CZ3-OE2 3.47Å
594	L	87.4	Confident	91	Very high	138 Å²	138	72 Å²	72	72%	0.723	38%	0.377	S	S	*	.			trans	-117.6	106.5	170.6	-178.8	65.1	0	0	0	108.7
595	V	89.6	Confident	91	Very high	8 Å²	8	71.6 Å²	71.6	5%	0.048	37%	0.37	C	S	.	.			trans	-117.2	142	-177.1	-64.6	0	0	0	0	111.5	W593 E600 T601 L604 E678 Q682	W593-V595 HydrophobicContact CE3-CG2 4.1Å; W593-V595 HydrophobicContact CZ3-CG2 4.46Å; V595-E600 HydrophobicContact CB-CB 4.28Å; V595-E600 HydrophobicContact CG1-CB 4.1Å; V595-T601 WeakPolarHBondContact CG2-OG1 3.09Å; V595-L604 HydrophobicContact CG1-CD1 3.6Å; V595-E678 HydrophobicContact CG2-CG 3.42Å; V595-E678 VanDerWaalsContact CG2-CG 3.42Å; V595-E678 WeakPolarHBondContact CG2-OE1 3.37Å; V595-Q682 HydrophobicContact CG2-CG 4.21Å; V595-Q682 PolarHBondContact O-NE2 3.43Å; V595-Q682 VanDerWaalsContact O-NE2 3.07Å
596	H	86.8	Confident	91	Very high	113 Å²	113	74.4 Å²	74.4	52%	0.523	39%	0.387	S	S	.	.			trans	-120.7	-5.8	-177.6	-56	91.1	0	0	0	112.7	E600 R689	H596-E600 PolarHBondContact N-OE2 3.29Å; H596-R689 PolarHBondContact O-NH2 2.91Å
597	S	88.7	Confident	90.9	Very high	28 Å²	28	76.1 Å²	76.1	20%	0.196	40%	0.403	C	S	.	.	S	Bend	trans	-140.6	157.6	179.7	75.8	0	0	0	0	113.2	E599 E600 T601	S597-E599 VanDerWaalsContact C-N 3.28Å; S597-E599 PolarHBondContact O-N 2.82Å; S597-E600 PolarHBondContact N-OE2 2.87Å; S597-E600 PolarHBondContact O-N 3.48Å; S597-E600 VanDerWaalsContact OG-CG 3.29Å; S597-E600 WeakPolarHBondContact OG-CG 3.31Å; S597-E600 PolarHBondContact OG-N 2.84Å; S597-T601 PolarHBondContact O-N 3.41Å; S597-T601 PolarHBondContact O-OG1 2.83Å
598	V	90.8	Very high	90.9	Very high	39 Å²	39	70.1 Å²	70.1	24%	0.236	38%	0.375	C	S	.	.	H	α-helix	trans	-63.3	-34.9	175	179.7	0	0	0	0	111.6	T601 Q602 L679 Q682 Q683 E686	V598-T601 PolarHBondContact O-N 2.94Å; V598-Q602 WeakPolarHBondContact O-CB 3.37Å; V598-Q602 PolarHBondContact O-N 2.74Å; V598-L679 HydrophobicContact CG1-CD1 3.94Å; V598-Q682 HydrophobicContact CG2-CB 3.86Å; V598-Q682 WeakPolarHBondContact CG2-O 3.34Å; V598-Q683 HydrophobicContact CG1-CG 4.27Å; V598-Q683 HydrophobicContact CG2-CG 4.31Å; V598-E686 HydrophobicContact CG2-CB 4.1Å
599	E	90.9	Very high	91	Very high	138 Å²	138	68.6 Å²	68.6	65%	0.645	37%	0.367	S	S	*	.	H	α-helix	trans	-67.9	-39.2	-178.6	-68.8	169.1	-151.6	0	0	111.9	S597 Q602 S603	S597-E599 VanDerWaalsContact C-N 3.28Å; S597-E599 PolarHBondContact O-N 2.82Å; E599-Q602 PolarHBondContact O-N 2.92Å; E599-S603 WeakPolarHBondContact O-CB 3.2Å; E599-S603 PolarHBondContact O-N 3.23Å; E599-S603 PolarHBondContact O-OG 3.04Å
600	E	91.9	Very high	91.1	Very high	87 Å²	87	74 Å²	74	41%	0.407	39%	0.392	S	S	.	.	H	α-helix	trans	-62.1	-49.3	173.4	-73.9	167.6	178.6	0	0	111.1	V595 H596 S597 Q602 S603 L604	V595-E600 HydrophobicContact CB-CB 4.28Å; V595-E600 HydrophobicContact CG1-CB 4.1Å; H596-E600 PolarHBondContact N-OE2 3.29Å; S597-E600 PolarHBondContact N-OE2 2.87Å; S597-E600 PolarHBondContact O-N 3.48Å; S597-E600 VanDerWaalsContact OG-CG 3.29Å; S597-E600 WeakPolarHBondContact OG-CG 3.31Å; S597-E600 PolarHBondContact OG-N 2.84Å; E600-Q602 VanDerWaalsContact C-N 3.33Å; E600-Q602 PolarHBondContact O-N 3.4Å; E600-S603 WeakPolarHBondContact O-CB 3.42Å; E600-S603 PolarHBondContact O-N 2.9Å; E600-L604 PolarHBondContact O-N 3.26Å; E600-L604 VanDerWaalsContact O-N 3.07Å
601	T	91.6	Very high	91.2	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63.8	-37.8	177.9	-43.7	0	0	0	0	112.3	V595 S597 V598 S603 L604 L605 E678 L679	V595-T601 WeakPolarHBondContact CG2-OG1 3.09Å; S597-T601 PolarHBondContact O-N 3.41Å; S597-T601 PolarHBondContact O-OG1 2.83Å; V598-T601 PolarHBondContact O-N 2.94Å; T601-S603 VanDerWaalsContact C-N 3.3Å; T601-S603 PolarHBondContact O-N 3.02Å; T601-L604 PolarHBondContact O-N 2.95Å; T601-L605 PolarHBondContact O-N 3.33Å; T601-E678 HydrophobicContact CG2-CB 4.23Å; T601-E678 HydrophobicContact CG2-CG 4.16Å; T601-L679 HydrophobicContact CG2-CB 3.93Å; T601-L679 HydrophobicContact CG2-CD1 4.24Å
602	Q	92.9	Very high	91.4	Very high	89 Å²	89	67.8 Å²	67.8	42%	0.416	36%	0.358	S	S	.	.	H	α-helix	trans	-66.5	-34	176.6	-167.9	64	43.4	0	0	112	V598 E599 E600 L605 T606	V598-Q602 WeakPolarHBondContact O-CB 3.37Å; V598-Q602 PolarHBondContact O-N 2.74Å; E599-Q602 PolarHBondContact O-N 2.92Å; E600-Q602 VanDerWaalsContact C-N 3.33Å; E600-Q602 PolarHBondContact O-N 3.4Å; Q602-L605 PolarHBondContact O-N 3.45Å; Q602-T606 WeakPolarHBondContact O-CB 3.43Å; Q602-T606 PolarHBondContact O-N 3.3Å; Q602-T606 PolarHBondContact O-OG1 3.11Å
603	S	92.7	Very high	91.7	Very high	77 Å²	77	65.2 Å²	65.2	54%	0.538	35%	0.35	S	S	.	.	H	α-helix	trans	-66.6	-42	174.3	-58.5	0	0	0	0	111.1	E599 E600 T601 T606 A607	E599-S603 WeakPolarHBondContact O-CB 3.2Å; E599-S603 PolarHBondContact O-N 3.23Å; E599-S603 PolarHBondContact O-OG 3.04Å; E600-S603 WeakPolarHBondContact O-CB 3.42Å; E600-S603 PolarHBondContact O-N 2.9Å; T601-S603 VanDerWaalsContact C-N 3.3Å; T601-S603 PolarHBondContact O-N 3.02Å; S603-T606 PolarHBondContact O-N 3.15Å; S603-A607 PolarHBondContact O-N 2.95Å
604	L	93.1	Very high	92.1	Very high	64 Å²	64	64.9 Å²	64.9	34%	0.335	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-43.6	173.5	-67.8	176.4	0	0	0	112.3	W593 V595 E600 T601 T606 A607 H608 L675	W593-L604 HydrophobicContact CB-CD1 3.72Å; W593-L604 HydrophobicContact CG-CD1 3.88Å; V595-L604 HydrophobicContact CG1-CD1 3.6Å; E600-L604 PolarHBondContact O-N 3.26Å; E600-L604 VanDerWaalsContact O-N 3.07Å; T601-L604 PolarHBondContact O-N 2.95Å; L604-T606 VanDerWaalsContact C-N 3.33Å; L604-T606 PolarHBondContact O-N 3.33Å; L604-A607 PolarHBondContact O-N 2.8Å; L604-H608 WeakPolarHBondContact O-CB 3.31Å; L604-H608 PolarHBondContact O-N 2.65Å; L604-L675 HydrophobicContact CB-CD2 3.96Å; L604-L675 HydrophobicContact CD1-CD2 4.33Å
605	L	92.8	Very high	92.4	Very high	15 Å²	15	59.9 Å²	59.9	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-59.5	-43.4	174	-83.6	162.9	0	0	0	112	T601 Q602 A607 H608 D609 L675 L679	T601-L605 PolarHBondContact O-N 3.33Å; Q602-L605 PolarHBondContact O-N 3.45Å; L605-A607 VanDerWaalsContact C-N 3.35Å; L605-A607 PolarHBondContact O-N 3.11Å; L605-H608 PolarHBondContact O-N 2.82Å; L605-D609 PolarHBondContact O-N 3.48Å; L605-L675 HydrophobicContact CD2-CB 3.71Å; L605-L675 HydrophobicContact CD2-CD1 4.33Å; L605-L675 HydrophobicContact CG-CB 4.1Å; L605-L679 HydrophobicContact CD1-CB 4.04Å; L605-L679 HydrophobicContact CD1-CD1 4.31Å; L605-L679 HydrophobicContact CD1-CD2 3.64Å; L605-L679 HydrophobicContact CD1-CG 4.19Å
606	T	93.9	Very high	92.6	Very high	62 Å²	62	63.3 Å²	63.3	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-42.2	177.8	-55	0	0	0	0	111.2	Q602 S603 L604 D609 Q610	Q602-T606 WeakPolarHBondContact O-CB 3.43Å; Q602-T606 PolarHBondContact O-N 3.3Å; Q602-T606 PolarHBondContact O-OG1 3.11Å; S603-T606 PolarHBondContact O-N 3.15Å; L604-T606 VanDerWaalsContact C-N 3.33Å; L604-T606 PolarHBondContact O-N 3.33Å; T606-D609 PolarHBondContact O-N 3.47Å; T606-Q610 VanDerWaalsContact O-CG 3.3Å; T606-Q610 WeakPolarHBondContact O-CG 3.41Å; T606-Q610 PolarHBondContact O-N 3.36Å
607	A	92.4	Very high	93	Very high	52 Å²	52	64.1 Å²	64.1	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-41.6	174.9	0	0	0	0	0	111.7	S603 L604 L605 Q610 F611	S603-A607 PolarHBondContact O-N 2.95Å; L604-A607 PolarHBondContact O-N 2.8Å; L605-A607 VanDerWaalsContact C-N 3.35Å; L605-A607 PolarHBondContact O-N 3.11Å; A607-Q610 PolarHBondContact O-N 3.41Å; A607-F611 PolarHBondContact O-N 3.44Å
608	H	94.4	Very high	93.2	Very high	13 Å²	13	63.3 Å²	63.3	6%	0.06	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-40.3	176.3	-173.4	74.5	0	0	0	112.4	L604 L605 F611 K612 D672 L675	L604-H608 WeakPolarHBondContact O-CB 3.31Å; L604-H608 PolarHBondContact O-N 2.65Å; L605-H608 PolarHBondContact O-N 2.82Å; H608-F611 WeakPolarHBondContact O-CB 3.31Å; H608-F611 PolarHBondContact O-N 2.91Å; H608-K612 WeakPolarHBondContact O-CG 3.43Å; H608-K612 PolarHBondContact O-N 2.98Å; H608-D672 IonicContact CD2-OD1 3.27Å; H608-D672 PolarHBondContact CD2-OD1 3.11Å; H608-D672 IonicContact NE2-OD1 3.74Å; H608-D672 PolarHBondContact NE2-OD1 2.78Å; H608-D672 IonicContact NE2-OD2 3.35Å; H608-L675 HydrophobicContact CB-CD1 3.79Å
609	D	93.3	Very high	93.4	Very high	83 Å²	83	64.4 Å²	64.4	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-64.3	-40.4	173.7	-77.3	-27.1	0	0	0	112.3	L605 T606 K612 A613	L605-D609 PolarHBondContact O-N 3.48Å; T606-D609 PolarHBondContact O-N 3.47Å; D609-K612 PolarHBondContact O-N 3.2Å; D609-K612 WeakPolarHBondContact OD1-CE 3.41Å; D609-K612 IonicContact OD1-NZ 2.63Å; D609-K612 PolarHBondContact OD1-NZ 2.88Å; D609-A613 PolarHBondContact O-N 3.15Å
610	Q	93.3	Very high	93.6	Very high	130 Å²	130	65.9 Å²	65.9	61%	0.607	36%	0.355	S	S	*	.	H	α-helix	trans	-62.7	-42.6	172.8	-73	175.3	11.9	0	0	111.5	T606 A607 A613	T606-Q610 VanDerWaalsContact O-CG 3.3Å; T606-Q610 WeakPolarHBondContact O-CG 3.41Å; T606-Q610 PolarHBondContact O-N 3.36Å; A607-Q610 PolarHBondContact O-N 3.41Å; Q610-A613 WeakPolarHBondContact O-CB 3.4Å; Q610-A613 PolarHBondContact O-N 2.75Å
611	F	94.8	Very high	93.8	Very high	37 Å²	37	64.8 Å²	64.8	16%	0.162	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-48.3	173.5	171.3	-97.2	0	0	0	111.4	W581 A585 L589 A607 H608 A613 T614 L615 V664 V668	W581-F611 AromaticContact CZ2-CE2 3.96Å; W581-F611 HydrophobicContact CZ2-CE2 3.96Å; W581-F611 HydrophobicContact CZ2-CZ 4.32Å; A585-F611 HydrophobicContact CB-CE2 3.87Å; A585-F611 HydrophobicContact CB-CZ 3.74Å; L589-F611 HydrophobicContact CD1-CE1 4.04Å; L589-F611 HydrophobicContact CD1-CZ 4.3Å; L589-F611 HydrophobicContact CD2-CD1 4.37Å; L589-F611 HydrophobicContact CD2-CE1 4.07Å; L589-F611 HydrophobicContact CG-CE1 4.26Å; A607-F611 PolarHBondContact O-N 3.44Å; H608-F611 WeakPolarHBondContact O-CB 3.31Å; H608-F611 PolarHBondContact O-N 2.91Å; F611-A613 PolarHBondContact O-N 2.8Å; F611-T614 WeakPolarHBondContact O-CB 3.36Å; F611-T614 PolarHBondContact O-N 3.24Å; F611-T614 PolarHBondContact O-OG1 3.29Å; F611-L615 HydrophobicContact CE1-CD2 3.94Å; F611-L615 HydrophobicContact CE1-CG 4.43Å; F611-L615 HydrophobicContact CZ-CD2 3.92Å; F611-V664 HydrophobicContact CZ-CG1 4.31Å; F611-V668 HydrophobicContact CE1-CG2 3.89Å
612	K	94.2	Very high	94	Very high	54 Å²	54	67.4 Å²	67.4	24%	0.235	36%	0.359	C	S	.	.	H	α-helix	trans	-56.7	-35.3	176.6	-75.4	-175.9	-59.3	-167.2	0	112.9	H608 D609 T614 L615 V668 D672	H608-K612 WeakPolarHBondContact O-CG 3.43Å; H608-K612 PolarHBondContact O-N 2.98Å; D609-K612 PolarHBondContact O-N 3.2Å; D609-K612 WeakPolarHBondContact OD1-CE 3.41Å; D609-K612 IonicContact OD1-NZ 2.63Å; D609-K612 PolarHBondContact OD1-NZ 2.88Å; K612-T614 PolarHBondContact O-N 2.72Å; K612-L615 HydrophobicContact CB-CD1 4.39Å; K612-L615 HydrophobicContact CG-CD1 4.29Å; K612-L615 WeakPolarHBondContact O-CB 3.36Å; K612-L615 PolarHBondContact O-N 2.96Å; K612-V668 HydrophobicContact CD-CG1 3.74Å; K612-V668 HydrophobicContact CG-CG1 3.73Å; K612-D672 WeakPolarHBondContact CD-OD2 3.48Å; K612-D672 VanDerWaalsContact NZ-CG 3.27Å; K612-D672 IonicContact NZ-OD1 3.59Å; K612-D672 PolarHBondContact NZ-OD1 3.46Å; K612-D672 IonicContact NZ-OD2 2.99Å; K612-D672 PolarHBondContact NZ-OD2 3.18Å
613	A	94.2	Very high	94.1	Very high	77 Å²	77	65.1 Å²	65.1	64%	0.636	36%	0.359	S	S	*	.	H	α-helix	trans	-64.6	-22.2	176.7	0	0	0	0	0	113.4	D609 Q610 F611 P616	D609-A613 PolarHBondContact O-N 3.15Å; Q610-A613 WeakPolarHBondContact O-CB 3.4Å; Q610-A613 PolarHBondContact O-N 2.75Å; F611-A613 PolarHBondContact O-N 2.8Å; A613-P616 WeakPolarHBondContact O-CD 3.48Å
614	T	94.3	Very high	94.2	Very high	59 Å²	59	63.1 Å²	63.1	36%	0.362	35%	0.347	S	S	.	.	H	α-helix	trans	-81.5	-20.2	175.9	72.7	0	0	0	0	113.6	F611 K612 E617 A618	F611-T614 WeakPolarHBondContact O-CB 3.36Å; F611-T614 PolarHBondContact O-N 3.24Å; F611-T614 PolarHBondContact O-OG1 3.29Å; K612-T614 PolarHBondContact O-N 2.72Å; T614-E617 PolarHBondContact O-N 3.15Å; T614-E617 VanDerWaalsContact O-N 3.13Å; T614-A618 PolarHBondContact O-N 3.36Å
615	L	94.1	Very high	94.3	Very high	33 Å²	33	60 Å²	60	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-41.3	-175	-63.1	173.9	0	0	0	114.3	W581 F611 K612 E617 A618 D619 W661 V664 V668	W581-L615 HydrophobicContact CH2-CD2 3.97Å; W581-L615 HydrophobicContact CZ2-CD2 4.45Å; F611-L615 HydrophobicContact CE1-CD2 3.94Å; F611-L615 HydrophobicContact CE1-CG 4.43Å; F611-L615 HydrophobicContact CZ-CD2 3.92Å; K612-L615 HydrophobicContact CB-CD1 4.39Å; K612-L615 HydrophobicContact CG-CD1 4.29Å; K612-L615 WeakPolarHBondContact O-CB 3.36Å; K612-L615 PolarHBondContact O-N 2.96Å; L615-E617 VanDerWaalsContact C-N 3.27Å; L615-E617 PolarHBondContact O-N 3.36Å; L615-A618 PolarHBondContact O-N 3.32Å; L615-D619 PolarHBondContact O-N 2.91Å; L615-W661 WeakPolarHBondContact O-CH2 3.25Å; L615-V664 HydrophobicContact CD2-CG1 4.19Å; L615-V668 HydrophobicContact CD1-CG1 4.25Å; L615-V668 HydrophobicContact CD1-CG2 3.95Å
616	P	94.6	Very high	94.3	Very high	79 Å²	79	61.3 Å²	61.3	51%	0.513	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-33.8	177.8	-23.2	34.9	0	0	0	113.1	A613 R620	A613-P616 WeakPolarHBondContact O-CD 3.48Å; P616-R620 WeakPolarHBondContact O-CG 3.42Å; P616-R620 PolarHBondContact O-N 3.11Å
617	E	93.8	Very high	94.3	Very high	130 Å²	130	60.1 Å²	60.1	61%	0.607	34%	0.337	S	S	*	.	H	α-helix	trans	-72.3	-41.7	175.7	-172.9	169.9	-177.1	0	0	111.4	T614 L615 D619 R620 E621	T614-E617 PolarHBondContact O-N 3.15Å; T614-E617 VanDerWaalsContact O-N 3.13Å; L615-E617 VanDerWaalsContact C-N 3.27Å; L615-E617 PolarHBondContact O-N 3.36Å; E617-D619 VanDerWaalsContact C-N 3.3Å; E617-D619 PolarHBondContact O-N 3.48Å; E617-R620 WeakPolarHBondContact O-CB 3.32Å; E617-R620 PolarHBondContact O-N 3.23Å; E617-R620 VanDerWaalsContact O-N 3.15Å; E617-E621 PolarHBondContact O-N 3.35Å
618	A	94.3	Very high	94.4	Very high	11 Å²	11	58.1 Å²	58.1	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-36.7	173.3	0	0	0	0	0	112.6	F578 W581 T614 L615 E621 R622 W661	F578-A618 HydrophobicContact CE2-CB 4.06Å; F578-A618 WeakPolarHBondContact CE2-O 3.34Å; F578-A618 WeakPolarHBondContact CZ-O 3.4Å; W581-A618 HydrophobicContact CE3-CB 4.37Å; W581-A618 HydrophobicContact CH2-CB 3.38Å; W581-A618 HydrophobicContact CZ2-CB 3.87Å; W581-A618 HydrophobicContact CZ3-CB 3.66Å; T614-A618 PolarHBondContact O-N 3.36Å; L615-A618 PolarHBondContact O-N 3.32Å; A618-E621 PolarHBondContact O-N 2.95Å; A618-R622 PolarHBondContact O-N 3.4Å; A618-W661 HydrophobicContact CB-CH2 4.02Å; A618-W661 HydrophobicContact CB-CZ3 3.68Å
619	D	95	Very high	94.2	Very high	63 Å²	63	59.5 Å²	59.5	34%	0.337	33%	0.326	S	S	.	.	H	α-helix	trans	-68.7	-34.7	174.9	-163.9	35.8	0	0	0	112.2	L615 E617 R622 G623 W661	L615-D619 PolarHBondContact O-N 2.91Å; E617-D619 VanDerWaalsContact C-N 3.3Å; E617-D619 PolarHBondContact O-N 3.48Å; D619-R622 WeakPolarHBondContact O-CB 3.07Å; D619-R622 PolarHBondContact O-N 3.35Å; D619-R622 IonicContact OD1-CZ 3.5Å; D619-R622 VanDerWaalsContact OD1-CZ 3.23Å; D619-R622 IonicContact OD1-NE 3.57Å; D619-R622 PolarHBondContact OD1-NE 3.29Å; D619-R622 IonicContact OD1-NH2 3.78Å; D619-R622 PolarHBondContact OD1-NH2 3.08Å; D619-G623 PolarHBondContact O-N 2.99Å; D619-W661 HydrophobicContact CB-CH2 3.73Å; D619-W661 HydrophobicContact CB-CZ2 3.48Å; D619-W661 VanDerWaalsContact CB-CZ2 3.48Å
620	R	95.3	Very high	94.1	Very high	169 Å²	169	57.1 Å²	57.1	64%	0.638	32%	0.321	S	S	*	.	H	α-helix	trans	-63.8	-42.1	171.3	-72.2	-173.7	-63	-132.6	1	111.4	P616 E617 G623 A624	P616-R620 WeakPolarHBondContact O-CG 3.42Å; P616-R620 PolarHBondContact O-N 3.11Å; E617-R620 WeakPolarHBondContact O-CB 3.32Å; E617-R620 PolarHBondContact O-N 3.23Å; E617-R620 VanDerWaalsContact O-N 3.15Å; R620-G623 PolarHBondContact O-N 3.49Å; R620-A624 PolarHBondContact O-N 3.27Å
621	E	95.4	Very high	94	Very high	63 Å²	63	56.2 Å²	56.2	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-46.1	176	-173.6	58.5	-154.2	0	0	111	R574 F578 E617 A618 G623 A624 I625	R574-E621 IonicContact CZ-OE1 2.82Å; R574-E621 VanDerWaalsContact CZ-OE1 3.27Å; R574-E621 IonicContact CZ-OE2 3.58Å; R574-E621 IonicContact NE-OE1 3.61Å; R574-E621 PolarHBondContact NE-OE1 2.96Å; R574-E621 IonicContact NE-OE2 3.6Å; R574-E621 IonicContact NH2-OE1 2.56Å; R574-E621 PolarHBondContact NH2-OE1 3.43Å; R574-E621 IonicContact NH2-OE2 2.78Å; R574-E621 PolarHBondContact NH2-OE2 3.36Å; F578-E621 HydrophobicContact CD2-CB 4.29Å; F578-E621 HydrophobicContact CD2-CG 3.92Å; F578-E621 HydrophobicContact CE2-CB 4.26Å; F578-E621 HydrophobicContact CE2-CG 4.39Å; F578-E621 HydrophobicContact CG-CG 4.44Å; E617-E621 PolarHBondContact O-N 3.35Å; A618-E621 PolarHBondContact O-N 2.95Å; E621-G623 VanDerWaalsContact C-N 3.34Å; E621-G623 PolarHBondContact O-N 3.37Å; E621-A624 PolarHBondContact O-N 3.18Å; E621-I625 HydrophobicContact CG-CD1 4.09Å; E621-I625 VanDerWaalsContact O-CG1 3.31Å; E621-I625 WeakPolarHBondContact O-CG1 3.44Å; E621-I625 PolarHBondContact O-N 3.33Å
622	R	95.3	Very high	93.8	Very high	56 Å²	56	54.8 Å²	54.8	21%	0.211	31%	0.311	C	S	.	.	H	α-helix	trans	-54.3	-49.1	171.4	-174.3	-174.8	70.3	119.4	-4.2	111.7	F578 A618 D619 A624 I625 M626 I657 N658 W661	F578-R622 HydrophobicContact CE1-CB 3.84Å; F578-R622 HydrophobicContact CE1-CG 4.18Å; F578-R622 HydrophobicContact CZ-CB 3.75Å; F578-R622 HydrophobicContact CZ-CG 4.48Å; A618-R622 PolarHBondContact O-N 3.4Å; D619-R622 WeakPolarHBondContact O-CB 3.07Å; D619-R622 PolarHBondContact O-N 3.35Å; D619-R622 IonicContact OD1-CZ 3.5Å; D619-R622 VanDerWaalsContact OD1-CZ 3.23Å; D619-R622 IonicContact OD1-NE 3.57Å; D619-R622 PolarHBondContact OD1-NE 3.29Å; D619-R622 IonicContact OD1-NH2 3.78Å; D619-R622 PolarHBondContact OD1-NH2 3.08Å; R622-A624 VanDerWaalsContact C-N 3.3Å; R622-A624 PolarHBondContact O-N 3.25Å; R622-I625 PolarHBondContact O-N 3.13Å; R622-M626 WeakPolarHBondContact O-CG 3.3Å; R622-M626 PolarHBondContact O-N 2.94Å; R622-I657 HydrophobicContact CG-CG2 4.34Å; R622-N658 PolarHBondContact NH1-OD1 3.11Å; R622-W661 VanDerWaalsContact CD-CG 3.44Å
623	G	94.7	Very high	93.6	Very high	40 Å²	40	56.9 Å²	56.9	41%	0.412	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-41.1	179.1	0	0	0	0	0	112.6	D619 R620 E621 M626 G627	D619-G623 PolarHBondContact O-N 2.99Å; R620-G623 PolarHBondContact O-N 3.49Å; E621-G623 VanDerWaalsContact C-N 3.34Å; E621-G623 PolarHBondContact O-N 3.37Å; G623-M626 PolarHBondContact O-N 3.06Å; G623-G627 PolarHBondContact O-N 2.99Å
624	A	95.3	Very high	93.5	Very high	35 Å²	35	60 Å²	60	29%	0.289	32%	0.321	S	S	.	.	H	α-helix	trans	-69.2	-40.1	176.6	0	0	0	0	0	112.7	R620 E621 R622 M626 G627 I628	R620-A624 PolarHBondContact O-N 3.27Å; E621-A624 PolarHBondContact O-N 3.18Å; R622-A624 VanDerWaalsContact C-N 3.3Å; R622-A624 PolarHBondContact O-N 3.25Å; A624-M626 VanDerWaalsContact C-N 3.35Å; A624-M626 PolarHBondContact O-N 3.07Å; A624-G627 PolarHBondContact O-N 3.44Å; A624-I628 PolarHBondContact O-N 3.27Å; A624-I628 VanDerWaalsContact O-N 3.14Å
625	I	95.1	Very high	93.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-44	173.2	-66.2	164.4	0	0	0	110.7	F571 R574 A575 F578 E621 R622 G627 I628 Q629 I657	F571-I625 HydrophobicContact CD2-CG2 3.71Å; F571-I625 WeakPolarHBondContact CD2-O 3.41Å; F571-I625 HydrophobicContact CE2-CG2 3.44Å; F571-I625 VanDerWaalsContact CE2-CG2 3.44Å; F571-I625 HydrophobicContact CZ-CG2 4.15Å; R574-I625 HydrophobicContact CB-CD1 4.1Å; R574-I625 HydrophobicContact CB-CG1 3.71Å; A575-I625 HydrophobicContact CB-CG2 4.23Å; F578-I625 HydrophobicContact CB-CD1 3.69Å; F578-I625 HydrophobicContact CD1-CD1 3.76Å; F578-I625 HydrophobicContact CG-CD1 3.75Å; E621-I625 HydrophobicContact CG-CD1 4.09Å; E621-I625 VanDerWaalsContact O-CG1 3.31Å; E621-I625 WeakPolarHBondContact O-CG1 3.44Å; E621-I625 PolarHBondContact O-N 3.33Å; R622-I625 PolarHBondContact O-N 3.13Å; I625-G627 VanDerWaalsContact C-N 3.33Å; I625-I628 PolarHBondContact O-N 3.11Å; I625-Q629 PolarHBondContact O-N 3.06Å; I625-I657 HydrophobicContact CG2-CD1 3.96Å
626	M	93.8	Very high	93	Very high	42 Å²	42	57.5 Å²	57.5	21%	0.207	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-35	174.9	-65.2	-59.2	94.6	0	0	112.3	F571 R622 G623 A624 I628 Q629 G630 P654 I657 N658	F571-M626 HydrophobicContact CE2-CE 4.13Å; R622-M626 WeakPolarHBondContact O-CG 3.3Å; R622-M626 PolarHBondContact O-N 2.94Å; G623-M626 PolarHBondContact O-N 3.06Å; A624-M626 VanDerWaalsContact C-N 3.35Å; A624-M626 PolarHBondContact O-N 3.07Å; M626-I628 PolarHBondContact O-N 3.26Å; M626-Q629 PolarHBondContact O-N 3.03Å; M626-G630 PolarHBondContact O-N 2.88Å; M626-P654 HydrophobicContact CE-CB 3.8Å; M626-P654 HydrophobicContact SD-CB 3.83Å; M626-I657 HydrophobicContact CE-CB 4.48Å; M626-I657 HydrophobicContact CE-CD1 4.24Å; M626-N658 PolarHBondContact SD-ND2 3.23Å; M626-N658 VanDerWaalsContact SD-ND2 3.42Å
627	G	93.9	Very high	92.8	Very high	36 Å²	36	61.1 Å²	61.1	37%	0.371	32%	0.315	S	S	.	.	H	α-helix	trans	-58	-45.1	175.7	0	0	0	0	0	112.6	G623 A624 I625 Q629 G630 E631	G623-G627 PolarHBondContact O-N 2.99Å; A624-G627 PolarHBondContact O-N 3.44Å; I625-G627 VanDerWaalsContact C-N 3.33Å; G627-Q629 VanDerWaalsContact C-N 3.33Å; G627-Q629 PolarHBondContact O-N 3.5Å; G627-G630 WeakPolarHBondContact O-CA 3.35Å; G627-G630 PolarHBondContact O-N 3.1Å; G627-G630 VanDerWaalsContact O-N 3.1Å; G627-E631 PolarHBondContact O-N 3.18Å
628	I	93.6	Very high	92.6	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.051	31%	0.314	C	S	.	.	H	α-helix	trans	-58.5	-45.4	176.5	-64.5	164.9	0	0	0	110.8	L567 E570 F571 A624 I625 M626 G630 E631 I632	L567-I628 HydrophobicContact CB-CG2 4.1Å; L567-I628 HydrophobicContact CD2-CG2 4.24Å; L567-I628 VanDerWaalsContact O-CG2 3.27Å; L567-I628 WeakPolarHBondContact O-CG2 3.38Å; E570-I628 HydrophobicContact CB-CD1 4.4Å; E570-I628 HydrophobicContact CG-CD1 3.85Å; F571-I628 HydrophobicContact CB-CG2 3.96Å; A624-I628 PolarHBondContact O-N 3.27Å; A624-I628 VanDerWaalsContact O-N 3.14Å; I625-I628 PolarHBondContact O-N 3.11Å; M626-I628 PolarHBondContact O-N 3.26Å; I628-G630 VanDerWaalsContact C-N 3.32Å; I628-G630 PolarHBondContact O-N 3.05Å; I628-E631 PolarHBondContact O-N 3.41Å; I628-I632 HydrophobicContact CG2-CD1 4.24Å; I628-I632 WeakPolarHBondContact O-CG1 3.41Å; I628-I632 PolarHBondContact O-N 2.91Å
629	Q	90.3	Very high	92.3	Very high	42 Å²	42	65.6 Å²	65.6	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-39.3	176.5	-177.5	67.7	9.4	0	0	112.1	F571 I625 M626 G627 I632 Q633 P654	F571-Q629 HydrophobicContact CD2-CB 4.38Å; F571-Q629 HydrophobicContact CE2-CB 4.33Å; I625-Q629 PolarHBondContact O-N 3.06Å; M626-Q629 PolarHBondContact O-N 3.03Å; G627-Q629 VanDerWaalsContact C-N 3.33Å; G627-Q629 PolarHBondContact O-N 3.5Å; Q629-I632 PolarHBondContact O-N 3.43Å; Q629-Q633 WeakPolarHBondContact O-CG 3.21Å; Q629-Q633 PolarHBondContact O-N 3.32Å; Q629-P654 HydrophobicContact CB-CG 4.31Å; Q629-P654 HydrophobicContact CG-CB 4.45Å; Q629-P654 HydrophobicContact CG-CG 3.66Å
630	G	91	Very high	91.8	Very high	34 Å²	34	65.9 Å²	65.9	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-62.6	-39.6	174.9	0	0	0	0	0	112.7	M626 G627 I628 Q633 K634	M626-G630 PolarHBondContact O-N 2.88Å; G627-G630 WeakPolarHBondContact O-CA 3.35Å; G627-G630 PolarHBondContact O-N 3.1Å; G627-G630 VanDerWaalsContact O-N 3.1Å; I628-G630 VanDerWaalsContact C-N 3.32Å; I628-G630 PolarHBondContact O-N 3.05Å; G630-Q633 PolarHBondContact O-N 3.13Å; G630-K634 WeakPolarHBondContact O-CB 3.5Å; G630-K634 PolarHBondContact O-N 2.97Å
631	E	91.8	Very high	91.2	Very high	111 Å²	111	58.8 Å²	58.8	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-44.8	174.4	-72.7	-172.1	-178.8	0	0	112.2	L567 G627 I628 Q633 K634 I635	L567-E631 HydrophobicContact CD1-CB 4.42Å; G627-E631 PolarHBondContact O-N 3.18Å; I628-E631 PolarHBondContact O-N 3.41Å; E631-Q633 VanDerWaalsContact C-N 3.34Å; E631-Q633 PolarHBondContact O-N 2.9Å; E631-K634 WeakPolarHBondContact O-CB 3.5Å; E631-K634 PolarHBondContact O-N 3.4Å; E631-I635 WeakPolarHBondContact O-CG1 3.21Å; E631-I635 PolarHBondContact O-N 3.16Å
632	I	91	Very high	90.2	Very high	7 Å²	7	65.8 Å²	65.8	4%	0.036	35%	0.352	C	S	.	.	H	α-helix	trans	-57.3	-48.8	175.3	-66.4	165.1	0	0	0	110.3	I564 L567 Q568 I628 Q629 K634 I635 C636	I564-I632 HydrophobicContact CG2-CG2 4.13Å; L567-I632 HydrophobicContact CB-CD1 3.79Å; L567-I632 HydrophobicContact CB-CG1 3.59Å; L567-I632 HydrophobicContact CD1-CG1 3.98Å; L567-I632 HydrophobicContact CG-CG1 4.44Å; Q568-I632 HydrophobicContact CG-CD1 3.88Å; I628-I632 HydrophobicContact CG2-CD1 4.24Å; I628-I632 WeakPolarHBondContact O-CG1 3.41Å; I628-I632 PolarHBondContact O-N 2.91Å; Q629-I632 PolarHBondContact O-N 3.43Å; I632-K634 VanDerWaalsContact C-N 3.32Å; I632-K634 PolarHBondContact O-N 3.29Å; I632-I635 PolarHBondContact O-N 3.45Å; I632-C636 PolarHBondContact O-N 2.89Å; I632-C636 PolarHBondContact O-SG 2.8Å; I632-C636 VanDerWaalsContact O-SG 3.39Å
633	Q	89.5	Confident	88.8	Confident	97 Å²	97	67.8 Å²	67.8	45%	0.453	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-40.9	177.8	-74.8	-178.4	-7.6	0	0	112.2	Q629 G630 E631 C636 Q637	Q629-Q633 WeakPolarHBondContact O-CG 3.21Å; Q629-Q633 PolarHBondContact O-N 3.32Å; G630-Q633 PolarHBondContact O-N 3.13Å; E631-Q633 VanDerWaalsContact C-N 3.34Å; E631-Q633 PolarHBondContact O-N 2.9Å; Q633-C636 PolarHBondContact O-N 3.06Å; Q633-Q637 WeakPolarHBondContact O-CB 3.41Å; Q633-Q637 VanDerWaalsContact O-CG 3.3Å; Q633-Q637 WeakPolarHBondContact O-CG 3Å; Q633-Q637 PolarHBondContact O-N 3.42Å
634	K	90.9	Very high	87.4	Confident	143 Å²	143	69.1 Å²	69.1	62%	0.622	38%	0.375	S	S	*	.	H	α-helix	trans	-63	-43.5	177.5	-175.5	179.8	178.8	-177.8	0	111.8	G630 E631 I632 Q637 T638	G630-K634 WeakPolarHBondContact O-CB 3.5Å; G630-K634 PolarHBondContact O-N 2.97Å; E631-K634 WeakPolarHBondContact O-CB 3.5Å; E631-K634 PolarHBondContact O-N 3.4Å; I632-K634 VanDerWaalsContact C-N 3.32Å; I632-K634 PolarHBondContact O-N 3.29Å; K634-Q637 PolarHBondContact O-N 2.82Å; K634-T638 VanDerWaalsContact O-CB 3.32Å; K634-T638 WeakPolarHBondContact O-CB 3.44Å; K634-T638 PolarHBondContact O-N 2.85Å; K634-T638 PolarHBondContact O-OG1 3.06Å
635	I	90.8	Very high	85.9	Confident	33 Å²	33	73.1 Å²	73.1	17%	0.169	40%	0.401	C	S	.	.	H	α-helix	trans	-62.3	-48.7	176.3	-66.5	168.3	0	0	0	109.6	L560 T563 I564 L567 E631 I632 Q637 T638 Y639	L560-I635 HydrophobicContact CD2-CG2 4.43Å; T563-I635 HydrophobicContact CG2-CD1 4.19Å; I564-I635 HydrophobicContact CD1-CG2 4.03Å; I564-I635 HydrophobicContact CG1-CG2 4.06Å; L567-I635 HydrophobicContact CD1-CD1 3.82Å; E631-I635 WeakPolarHBondContact O-CG1 3.21Å; E631-I635 PolarHBondContact O-N 3.16Å; I632-I635 PolarHBondContact O-N 3.45Å; I635-Q637 PolarHBondContact O-N 2.88Å; I635-T638 PolarHBondContact O-N 2.74Å; I635-Y639 HydrophobicContact CG2-CD2 4.14Å; I635-Y639 WeakPolarHBondContact O-CD2 3.33Å; I635-Y639 PolarHBondContact O-N 3.34Å; I635-Y639 VanDerWaalsContact O-N 3.15Å
636	C	88.4	Confident	84.9	Confident	6 Å²	6	77.6 Å²	77.6	4%	0.041	43%	0.428	C	S	.	.	H	α-helix	trans	-58.4	-44.9	178.4	-69.9	0	0	0	0	112.4	I632 Q633 G640 L641	I632-C636 PolarHBondContact O-N 2.89Å; I632-C636 PolarHBondContact O-SG 2.8Å; I632-C636 VanDerWaalsContact O-SG 3.39Å; Q633-C636 PolarHBondContact O-N 3.06Å; C636-G640 PolarHBondContact O-N 3.21Å; C636-L641 HydrophobicContact CB-CB 4.46Å; C636-L641 PolarHBondContact O-N 2.67Å
637	Q	89.3	Confident	84.6	Confident	156 Å²	156	76.7 Å²	76.7	73%	0.729	42%	0.424	S	S	*	.	H	α-helix	trans	-65.7	-42.6	178	-73.8	175.7	9.1	0	0	112.6	Q633 K634 I635 Y639 G640	Q633-Q637 WeakPolarHBondContact O-CB 3.41Å; Q633-Q637 VanDerWaalsContact O-CG 3.3Å; Q633-Q637 WeakPolarHBondContact O-CG 3Å; Q633-Q637 PolarHBondContact O-N 3.42Å; K634-Q637 PolarHBondContact O-N 2.82Å; I635-Q637 PolarHBondContact O-N 2.88Å; Q637-Y639 VanDerWaalsContact C-N 3.33Å; Q637-Y639 PolarHBondContact O-N 2.93Å; Q637-G640 PolarHBondContact O-N 3.25Å
638	T	90.9	Very high	84.3	Confident	94 Å²	94	79.1 Å²	79.1	58%	0.577	43%	0.433	S	S	*	.	H	α-helix	trans	-64.5	-38.4	-176.6	-57.3	0	0	0	0	111.9	K634 I635	K634-T638 VanDerWaalsContact O-CB 3.32Å; K634-T638 WeakPolarHBondContact O-CB 3.44Å; K634-T638 PolarHBondContact O-N 2.85Å; K634-T638 PolarHBondContact O-OG1 3.06Å; I635-T638 PolarHBondContact O-N 2.74Å
639	Y	87.9	Confident	84.2	Confident	141 Å²	141	83.1 Å²	83.1	55%	0.553	45%	0.448	S	S	*	.	H	α-helix	trans	-102.1	5.9	-176.6	-66.3	-79.4	0	0	0	113.7	L560 I635 Q637 L641	L560-Y639 HydrophobicContact CD1-CD1 3.82Å; L560-Y639 HydrophobicContact CD1-CD2 4.19Å; L560-Y639 HydrophobicContact CD1-CE1 4.23Å; L560-Y639 HydrophobicContact CD1-CG 3.79Å; L560-Y639 HydrophobicContact CD2-CD2 3.86Å; L560-Y639 HydrophobicContact CD2-CE1 4.43Å; L560-Y639 HydrophobicContact CD2-CE2 3.69Å; L560-Y639 HydrophobicContact CD2-CG 4.3Å; I635-Y639 HydrophobicContact CG2-CD2 4.14Å; I635-Y639 WeakPolarHBondContact O-CD2 3.33Å; I635-Y639 PolarHBondContact O-N 3.34Å; I635-Y639 VanDerWaalsContact O-N 3.15Å; Q637-Y639 VanDerWaalsContact C-N 3.33Å; Q637-Y639 PolarHBondContact O-N 2.93Å; Y639-L641 PolarHBondContact O-N 2.89Å
640	G	83.2	Confident	84.3	Confident	69 Å²	69	82.3 Å²	82.3	71%	0.711	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	25.1	179.4	0	0	0	0	0	114	C636 Q637	C636-G640 PolarHBondContact O-N 3.21Å; Q637-G640 PolarHBondContact O-N 3.25Å
641	L	83.3	Confident	84.2	Confident	20 Å²	20	87.2 Å²	87.2	11%	0.105	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-77.5	147.9	178.8	-57.2	172.7	0	0	0	109.8	M557 L560 I564 C636 Y639 P643	M557-L641 HydrophobicContact CE-CD2 3.73Å; M557-L641 HydrophobicContact SD-CD2 3.57Å; M557-L641 VanDerWaalsContact SD-CD2 3.57Å; L560-L641 HydrophobicContact CB-CD1 4.45Å; I564-L641 HydrophobicContact CD1-CD1 3.81Å; C636-L641 HydrophobicContact CB-CB 4.46Å; C636-L641 PolarHBondContact O-N 2.67Å; Y639-L641 PolarHBondContact O-N 2.89Å; L641-P643 WeakPolarHBondContact O-CD 3.31Å
642	R	74.5	Confident	84.1	Confident	209 Å²	209	83.6 Å²	83.6	79%	0.789	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-62.2	123.8	171.8	-74.7	-174.2	-177.8	177.8	2.3	109	C644	R642-C644 PolarHBondContact O-N 2.88Å
643	P	66	Low	84	Confident	98 Å²	98	85 Å²	85	64%	0.636	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-62.4	123.7	175	22.8	-29.1	0	0	0	108.5	L641 S645	L641-P643 WeakPolarHBondContact O-CD 3.31Å; P643-S645 PolarHBondContact O-N 2.67Å
644	C	66	Low	84	Confident	69 Å²	69	82 Å²	82	47%	0.466	45%	0.452	S	S	.	.			trans	-61.7	112.4	173.2	-132.9	0	0	0	0	107.3	R642 T646	R642-C644 PolarHBondContact O-N 2.88Å; C644-T646 PolarHBondContact O-N 3.28Å; C644-T646 VanDerWaalsContact O-N 3.17Å
645	S	62.9	Low	84	Confident	119 Å²	119	82.3 Å²	82.3	83%	0.832	46%	0.455	S	S	*	.	S	Bend	trans	-65.6	-18.1	-174.9	52.4	0	0	0	0	113	P643	P643-S645 PolarHBondContact O-N 2.67Å
646	T	74.5	Confident	84	Confident	94 Å²	94	84 Å²	84	58%	0.577	47%	0.465	S	S	*	.	S	Bend	trans	-148.8	135.6	-171.5	-34.5	0	0	0	0	109.4	C644	C644-T646 PolarHBondContact O-N 3.28Å; C644-T646 VanDerWaalsContact O-N 3.17Å
647	N	86.4	Confident	84.3	Confident	22 Å²	22	83.8 Å²	83.8	12%	0.118	46%	0.463	C	S	.	.			trans	-73.7	126.6	172.6	-174	-38.6	0	0	0	108.8	Q568 F571 Y649 I650	Q568-N647 PolarHBondContact O-ND2 3.28Å; F571-N647 WeakPolarHBondContact CD1-ND2 3.32Å; N647-Y649 VanDerWaalsContact C-N 3.27Å; N647-Y649 PolarHBondContact O-N 3.17Å; N647-Y649 WeakPolarHBondContact OD1-CD2 3.5Å; N647-Y649 PolarHBondContact OD1-N 2.71Å; N647-I650 HydrophobicContact CB-CG2 4.22Å; N647-I650 VanDerWaalsContact O-O 3.05Å
648	P	87.8	Confident	84.5	Confident	87 Å²	87	78.5 Å²	78.5	57%	0.565	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.2	-176.5	28.5	-33.9	0	0	0	114
649	Y	90.8	Very high	84.7	Confident	95 Å²	95	78.6 Å²	78.6	37%	0.373	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-15.8	-174.2	-53.3	-70.2	0	0	0	114	D565 Q568 L569 N647	D565-Y649 PolarHBondContact OD1-OH 2.99Å; D565-Y649 PolarHBondContact OD2-OH 3.28Å; Q568-Y649 HydrophobicContact CB-CD2 4.02Å; Q568-Y649 HydrophobicContact CB-CE2 3.95Å; L569-Y649 HydrophobicContact CB-CD2 4.02Å; L569-Y649 HydrophobicContact CB-CE2 3.83Å; L569-Y649 HydrophobicContact CD1-CD1 4Å; L569-Y649 HydrophobicContact CD1-CD2 4.29Å; L569-Y649 HydrophobicContact CD1-CE1 4.26Å; L569-Y649 HydrophobicContact CD1-CG 4.01Å; N647-Y649 VanDerWaalsContact C-N 3.27Å; N647-Y649 PolarHBondContact O-N 3.17Å; N647-Y649 WeakPolarHBondContact OD1-CD2 3.5Å; N647-Y649 PolarHBondContact OD1-N 2.71Å
650	I	92.3	Very high	84.9	Confident	24 Å²	24	74.4 Å²	74.4	12%	0.123	43%	0.425	C	S	.	.			trans	-150.9	140.6	-177.5	-159.9	169	0	0	0	110.7	F571 A572 A575 A576 N647 L652	F571-I650 HydrophobicContact CD1-CG2 4.01Å; F571-I650 HydrophobicContact CE1-CG2 3.98Å; A572-I650 HydrophobicContact CB-CB 3.76Å; A572-I650 HydrophobicContact CB-CG2 3.74Å; A575-I650 HydrophobicContact CB-CD1 4.01Å; A576-I650 HydrophobicContact CB-CD1 3.8Å; N647-I650 HydrophobicContact CB-CG2 4.22Å; N647-I650 VanDerWaalsContact O-O 3.05Å; I650-L652 VanDerWaalsContact C-N 3.33Å; I650-L652 HydrophobicContact CD1-CB 4.13Å; I650-L652 HydrophobicContact CD1-CD1 3.81Å; I650-L652 HydrophobicContact CD1-CG 4.24Å; I650-L652 HydrophobicContact CG1-CB 4.06Å; I650-L652 HydrophobicContact CG1-CD1 4.29Å; I650-L652 HydrophobicContact CG1-CG 4.21Å
651	T	89.6	Confident	85.6	Confident	138 Å²	138	71.9 Å²	71.9	85%	0.847	39%	0.394	S	S	*	.	S	Bend	trans	-80.8	-15.4	178.3	51.4	0	0	0	0	113.3	S653	T651-S653 PolarHBondContact O-N 3.5Å
652	L	89.1	Confident	86.1	Confident	34 Å²	34	73.6 Å²	73.6	18%	0.178	40%	0.404	C	S	.	.			trans	-71.4	125.4	-179.1	-68.1	173.1	0	0	0	111	N579 I650 D656	N579-L652 HydrophobicContact CB-CD1 3.39Å; N579-L652 VanDerWaalsContact CG-CD1 3.46Å; I650-L652 VanDerWaalsContact C-N 3.33Å; I650-L652 HydrophobicContact CD1-CB 4.13Å; I650-L652 HydrophobicContact CD1-CD1 3.81Å; I650-L652 HydrophobicContact CD1-CG 4.24Å; I650-L652 HydrophobicContact CG1-CB 4.06Å; I650-L652 HydrophobicContact CG1-CD1 4.29Å; I650-L652 HydrophobicContact CG1-CG 4.21Å; L652-D656 HydrophobicContact CD2-CB 4.42Å
653	S	89.9	Confident	87	Confident	37 Å²	37	67.5 Å²	67.5	26%	0.259	39%	0.385	S	S	.	.			trans	-85.6	157.2	172	77.6	0	0	0	0	111.3	T651 Q655 D656 I657	T651-S653 PolarHBondContact O-N 3.5Å; S653-Q655 PolarHBondContact O-N 3.17Å; S653-Q655 VanDerWaalsContact O-N 3.15Å; S653-Q655 PolarHBondContact OG-N 3.39Å; S653-D656 WeakPolarHBondContact CA-OD2 3.45Å; S653-D656 VanDerWaalsContact CB-OD2 3.25Å; S653-D656 WeakPolarHBondContact CB-OD2 3.46Å; S653-D656 PolarHBondContact N-OD2 3.36Å; S653-D656 PolarHBondContact O-N 2.95Å; S653-D656 VanDerWaalsContact O-N 3.11Å; S653-D656 PolarHBondContact OG-N 3.25Å; S653-D656 VanDerWaalsContact OG-N 3.11Å; S653-D656 PolarHBondContact OG-OD1 3.08Å; S653-D656 PolarHBondContact OG-OD2 3.3Å; S653-I657 PolarHBondContact O-N 2.95Å
654	P	90.4	Very high	88.4	Confident	33 Å²	33	62.9 Å²	62.9	21%	0.214	36%	0.355	C	S	.	.	H	α-helix	trans	-56.2	-27.3	169.6	-23.8	31.8	0	0	0	113.6	F571 M626 Q629 N658	F571-P654 HydrophobicContact CE2-CG 4.2Å; F571-P654 HydrophobicContact CZ-CG 4.04Å; M626-P654 HydrophobicContact CE-CB 3.8Å; M626-P654 HydrophobicContact SD-CB 3.83Å; Q629-P654 HydrophobicContact CB-CG 4.31Å; Q629-P654 HydrophobicContact CG-CB 4.45Å; Q629-P654 HydrophobicContact CG-CG 3.66Å; P654-N658 PolarHBondContact O-N 2.94Å; P654-N658 PolarHBondContact O-ND2 3.41Å
655	Q	89.7	Confident	89.8	Confident	150 Å²	150	67 Å²	67	70%	0.701	36%	0.361	S	S	*	.	H	α-helix	trans	-74.2	-37	177.5	-67.8	-178.2	-13.5	0	0	111.8	S653 I657 N658 T659	S653-Q655 PolarHBondContact O-N 3.17Å; S653-Q655 VanDerWaalsContact O-N 3.15Å; S653-Q655 PolarHBondContact OG-N 3.39Å; Q655-I657 PolarHBondContact O-N 3.07Å; Q655-N658 PolarHBondContact O-N 2.98Å; Q655-T659 WeakPolarHBondContact O-CB 3.5Å; Q655-T659 PolarHBondContact O-N 3.18Å; Q655-T659 PolarHBondContact O-OG1 2.84Å
656	D	92.3	Very high	91.2	Very high	70 Å²	70	69.1 Å²	69.1	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-62.3	-44.6	177.5	-58.1	-42.9	0	0	0	111	L652 S653 N658 T659 K660	L652-D656 HydrophobicContact CD2-CB 4.42Å; S653-D656 WeakPolarHBondContact CA-OD2 3.45Å; S653-D656 VanDerWaalsContact CB-OD2 3.25Å; S653-D656 WeakPolarHBondContact CB-OD2 3.46Å; S653-D656 PolarHBondContact N-OD2 3.36Å; S653-D656 PolarHBondContact O-N 2.95Å; S653-D656 VanDerWaalsContact O-N 3.11Å; S653-D656 PolarHBondContact OG-N 3.25Å; S653-D656 VanDerWaalsContact OG-N 3.11Å; S653-D656 PolarHBondContact OG-OD1 3.08Å; S653-D656 PolarHBondContact OG-OD2 3.3Å; D656-N658 PolarHBondContact O-N 3.37Å; D656-T659 PolarHBondContact O-N 3.43Å; D656-K660 PolarHBondContact O-N 2.86Å
657	I	93.6	Very high	92.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-45.3	176.9	-61.4	176.1	0	0	0	110.8	F571 A575 F578 L582 R622 I625 M626 S653 Q655 T659 W661	F571-I657 HydrophobicContact CZ-CD1 3.98Å; A575-I657 HydrophobicContact CB-CD1 3.7Å; F578-I657 HydrophobicContact CD1-CG2 3.81Å; F578-I657 HydrophobicContact CE1-CG2 3.67Å; L582-I657 HydrophobicContact CD1-CG2 4.14Å; R622-I657 HydrophobicContact CG-CG2 4.34Å; I625-I657 HydrophobicContact CG2-CD1 3.96Å; M626-I657 HydrophobicContact CE-CB 4.48Å; M626-I657 HydrophobicContact CE-CD1 4.24Å; S653-I657 PolarHBondContact O-N 2.95Å; Q655-I657 PolarHBondContact O-N 3.07Å; I657-T659 VanDerWaalsContact C-N 3.35Å; I657-W661 VanDerWaalsContact O-CB 3.31Å; I657-W661 WeakPolarHBondContact O-CB 3.29Å; I657-W661 PolarHBondContact O-N 3.42Å
658	N	94.1	Very high	92.6	Very high	45 Å²	45	65.8 Å²	65.8	24%	0.241	33%	0.334	C	S	.	.	H	α-helix	trans	-65.3	-38.9	177.9	-78.7	-45.2	0	0	0	112.3	R622 M626 P654 Q655 D656 W661 D662	R622-N658 PolarHBondContact NH1-OD1 3.11Å; M626-N658 PolarHBondContact SD-ND2 3.23Å; M626-N658 VanDerWaalsContact SD-ND2 3.42Å; P654-N658 PolarHBondContact O-N 2.94Å; P654-N658 PolarHBondContact O-ND2 3.41Å; Q655-N658 PolarHBondContact O-N 2.98Å; D656-N658 PolarHBondContact O-N 3.37Å; N658-W661 PolarHBondContact O-N 3.46Å; N658-D662 WeakPolarHBondContact O-CB 3.24Å; N658-D662 PolarHBondContact O-N 3.1Å
659	T	94.4	Very high	92.8	Very high	96 Å²	96	65.4 Å²	65.4	59%	0.589	33%	0.331	S	S	*	.	H	α-helix	trans	-64	-46	179	-56.4	0	0	0	0	111.1	Q655 D656 I657 D662 M663	Q655-T659 WeakPolarHBondContact O-CB 3.5Å; Q655-T659 PolarHBondContact O-N 3.18Å; Q655-T659 PolarHBondContact O-OG1 2.84Å; D656-T659 PolarHBondContact O-N 3.43Å; I657-T659 VanDerWaalsContact C-N 3.35Å; T659-D662 PolarHBondContact O-N 3.48Å; T659-M663 PolarHBondContact O-N 2.98Å
660	K	93.3	Very high	92.9	Very high	54 Å²	54	63.8 Å²	63.8	24%	0.235	33%	0.334	C	S	.	.	H	α-helix	trans	-66.4	-40.7	176.1	-74.2	-174	179.3	-175.7	0	112.4	N579 L582 D583 D656 D662 M663 V664	N579-K660 PolarHBondContact ND2-NZ 2.96Å; N579-K660 WeakPolarHBondContact OD1-CD 3.44Å; N579-K660 WeakPolarHBondContact OD1-CE 3.47Å; N579-K660 PolarHBondContact OD1-NZ 3.17Å; L582-K660 HydrophobicContact CB-CB 4.24Å; L582-K660 HydrophobicContact CB-CD 4.47Å; L582-K660 HydrophobicContact CD1-CB 3.91Å; L582-K660 HydrophobicContact CG-CB 4.49Å; D583-K660 WeakPolarHBondContact OD1-CD 3.47Å; D583-K660 WeakPolarHBondContact OD1-CE 3.1Å; D583-K660 IonicContact OD1-NZ 2.65Å; D583-K660 PolarHBondContact OD1-NZ 3.12Å; D583-K660 IonicContact OD2-NZ 3.76Å; D583-K660 PolarHBondContact OD2-NZ 2.98Å; D656-K660 PolarHBondContact O-N 2.86Å; K660-D662 VanDerWaalsContact C-N 3.32Å; K660-D662 PolarHBondContact O-N 3.27Å; K660-M663 WeakPolarHBondContact O-CB 3.49Å; K660-M663 PolarHBondContact O-N 3.24Å; K660-M663 VanDerWaalsContact O-N 3.11Å; K660-V664 PolarHBondContact O-N 3.46Å
661	W	96.1	Very high	92.9	Very high	16 Å²	16	63.5 Å²	63.5	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-58	-44.6	173.2	176.9	-99.6	0	0	0	112.2	F578 W581 L582 L615 A618 D619 R622 I657 N658 M663 V664 R665	F578-W661 AromaticContact CZ-CE3 3.96Å; F578-W661 HydrophobicContact CZ-CE3 3.96Å; F578-W661 HydrophobicContact CZ-CZ3 4.22Å; W581-W661 HydrophobicContact CH2-CZ3 4.04Å; W581-W661 HydrophobicContact CZ3-CE3 4.29Å; W581-W661 AromaticContact CZ3-CZ3 3.85Å; W581-W661 HydrophobicContact CZ3-CZ3 3.85Å; L582-W661 HydrophobicContact CD2-CB 4.32Å; L582-W661 HydrophobicContact CD2-CE3 3.96Å; L615-W661 WeakPolarHBondContact O-CH2 3.25Å; A618-W661 HydrophobicContact CB-CH2 4.02Å; A618-W661 HydrophobicContact CB-CZ3 3.68Å; D619-W661 HydrophobicContact CB-CH2 3.73Å; D619-W661 HydrophobicContact CB-CZ2 3.48Å; D619-W661 VanDerWaalsContact CB-CZ2 3.48Å; R622-W661 VanDerWaalsContact CD-CG 3.44Å; I657-W661 VanDerWaalsContact O-CB 3.31Å; I657-W661 WeakPolarHBondContact O-CB 3.29Å; I657-W661 PolarHBondContact O-N 3.42Å; N658-W661 PolarHBondContact O-N 3.46Å; W661-M663 VanDerWaalsContact C-N 3.27Å; W661-M663 PolarHBondContact O-N 2.85Å; W661-V664 PolarHBondContact O-N 2.95Å; W661-R665 WeakPolarHBondContact O-CB 3.45Å; W661-R665 PolarHBondContact O-N 3.45Å
662	D	94.4	Very high	93	Very high	56 Å²	56	58.5 Å²	58.5	30%	0.299	30%	0.302	S	S	.	.	H	α-helix	trans	-64.5	-32	176	-80.6	-35	0	0	0	112.6	N658 T659 K660 R665 K666	N658-D662 WeakPolarHBondContact O-CB 3.24Å; N658-D662 PolarHBondContact O-N 3.1Å; T659-D662 PolarHBondContact O-N 3.48Å; K660-D662 VanDerWaalsContact C-N 3.32Å; K660-D662 PolarHBondContact O-N 3.27Å; D662-R665 IonicContact OD1-CZ 3.79Å; D662-R665 IonicContact OD1-NE 2.84Å; D662-R665 IonicContact OD1-NH2 3.94Å; D662-R665 PolarHBondContact OD1-NH2 3.32Å; D662-K666 VanDerWaalsContact O-CG 3.31Å; D662-K666 WeakPolarHBondContact O-CG 3.43Å; D662-K666 PolarHBondContact O-N 3.25Å; D662-K666 VanDerWaalsContact O-N 3.11Å
663	M	94.2	Very high	93.2	Very high	81 Å²	81	62.2 Å²	62.2	40%	0.399	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-50.7	173.2	-173.9	171.7	178.9	0	0	111.5	V586 T659 K660 W661 R665 K666 L667	V586-M663 HydrophobicContact CG1-CE 3.68Å; V586-M663 HydrophobicContact CG1-SD 4.2Å; V586-M663 HydrophobicContact CG2-CG 4.25Å; V586-M663 HydrophobicContact CG2-SD 4.29Å; T659-M663 PolarHBondContact O-N 2.98Å; K660-M663 WeakPolarHBondContact O-CB 3.49Å; K660-M663 PolarHBondContact O-N 3.24Å; K660-M663 VanDerWaalsContact O-N 3.11Å; W661-M663 VanDerWaalsContact C-N 3.27Å; W661-M663 PolarHBondContact O-N 2.85Å; M663-R665 VanDerWaalsContact C-N 3.29Å; M663-R665 PolarHBondContact O-N 2.96Å; M663-K666 PolarHBondContact O-N 2.87Å; M663-K666 VanDerWaalsContact O-N 3.08Å; M663-L667 HydrophobicContact CE-CD1 4.25Å; M663-L667 HydrophobicContact CG-CD1 4.04Å; M663-L667 HydrophobicContact CG-CG 4.48Å; M663-L667 WeakPolarHBondContact O-CG 3.31Å; M663-L667 PolarHBondContact O-N 3.3Å
664	V	95.1	Very high	93.3	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-54.3	-48	174.5	173.2	0	0	0	0	110.4	L582 A585 V586 L589 F611 L615 K660 W661 K666 L667 V668	L582-V664 HydrophobicContact CD2-CG2 3.87Å; A585-V664 HydrophobicContact CB-CG1 4.35Å; A585-V664 HydrophobicContact CB-CG2 4.04Å; V586-V664 HydrophobicContact CG2-CG2 3.61Å; L589-V664 HydrophobicContact CD1-CG1 3.99Å; F611-V664 HydrophobicContact CZ-CG1 4.31Å; L615-V664 HydrophobicContact CD2-CG1 4.19Å; K660-V664 PolarHBondContact O-N 3.46Å; W661-V664 PolarHBondContact O-N 2.95Å; V664-K666 PolarHBondContact O-N 3.49Å; V664-L667 PolarHBondContact O-N 2.95Å; V664-L667 VanDerWaalsContact O-N 3.13Å; V664-V668 HydrophobicContact CG1-CG2 4.39Å; V664-V668 WeakPolarHBondContact O-CG2 3.43Å; V664-V668 PolarHBondContact O-N 2.99Å
665	R	94.5	Very high	93.4	Very high	156 Å²	156	62 Å²	62	59%	0.589	31%	0.314	S	S	*	.	H	α-helix	trans	-61.1	-30.7	179.9	-171	172.6	63.1	155.3	-2.7	113.5	W661 D662 M663 P669	W661-R665 WeakPolarHBondContact O-CB 3.45Å; W661-R665 PolarHBondContact O-N 3.45Å; D662-R665 IonicContact OD1-CZ 3.79Å; D662-R665 IonicContact OD1-NE 2.84Å; D662-R665 IonicContact OD1-NH2 3.94Å; D662-R665 PolarHBondContact OD1-NH2 3.32Å; M663-R665 VanDerWaalsContact C-N 3.29Å; M663-R665 PolarHBondContact O-N 2.96Å; R665-P669 WeakPolarHBondContact O-CD 3.46Å
666	K	93.6	Very high	93.5	Very high	163 Å²	163	60.7 Å²	60.7	71%	0.709	31%	0.309	S	S	*	.	H	α-helix	trans	-79	-35.8	175	-75.2	175.8	-175.6	178.7	0	112.9	D662 M663 V664	D662-K666 VanDerWaalsContact O-CG 3.31Å; D662-K666 WeakPolarHBondContact O-CG 3.43Å; D662-K666 PolarHBondContact O-N 3.25Å; D662-K666 VanDerWaalsContact O-N 3.11Å; M663-K666 PolarHBondContact O-N 2.87Å; M663-K666 VanDerWaalsContact O-N 3.08Å; V664-K666 PolarHBondContact O-N 3.49Å
667	L	94.1	Very high	93.4	Very high	32 Å²	32	62.8 Å²	62.8	17%	0.168	32%	0.316	C	S	.	.	H	α-helix	trans	-72.7	-32.7	-178.6	-72.3	172.6	0	0	0	112.5	V586 L589 Q590 M663 V664 S670 C671	V586-L667 HydrophobicContact CB-CD1 4.44Å; V586-L667 HydrophobicContact CG1-CD1 4.02Å; V586-L667 HydrophobicContact CG2-CD1 4.32Å; L589-L667 HydrophobicContact CB-CB 4Å; L589-L667 HydrophobicContact CB-CD1 4.33Å; L589-L667 HydrophobicContact CD1-CB 3.85Å; Q590-L667 HydrophobicContact CG-CD1 3.91Å; Q590-L667 HydrophobicContact CG-CD2 4.1Å; M663-L667 HydrophobicContact CE-CD1 4.25Å; M663-L667 HydrophobicContact CG-CD1 4.04Å; M663-L667 HydrophobicContact CG-CG 4.48Å; M663-L667 WeakPolarHBondContact O-CG 3.31Å; M663-L667 PolarHBondContact O-N 3.3Å; V664-L667 PolarHBondContact O-N 2.95Å; V664-L667 VanDerWaalsContact O-N 3.13Å; L667-S670 WeakPolarHBondContact O-CB 3.3Å; L667-S670 PolarHBondContact O-N 3.05Å; L667-S670 VanDerWaalsContact O-N 3.11Å; L667-C671 PolarHBondContact O-N 3.36Å
668	V	94.5	Very high	93.3	Very high	13 Å²	13	63.3 Å²	63.3	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-54.6	-55.6	-178.9	167	0	0	0	0	112.8	L589 F611 K612 L615 V664 S670 C671 D672	L589-V668 HydrophobicContact CD1-CG2 3.72Å; L589-V668 HydrophobicContact CD2-CG2 4.08Å; F611-V668 HydrophobicContact CE1-CG2 3.89Å; K612-V668 HydrophobicContact CD-CG1 3.74Å; K612-V668 HydrophobicContact CG-CG1 3.73Å; L615-V668 HydrophobicContact CD1-CG1 4.25Å; L615-V668 HydrophobicContact CD1-CG2 3.95Å; V664-V668 HydrophobicContact CG1-CG2 4.39Å; V664-V668 WeakPolarHBondContact O-CG2 3.43Å; V664-V668 PolarHBondContact O-N 2.99Å; V668-S670 PolarHBondContact O-N 3Å; V668-C671 PolarHBondContact O-N 3.37Å; V668-D672 PolarHBondContact O-N 3.34Å
669	P	93.9	Very high	93.3	Very high	80 Å²	80	62.4 Å²	62.4	52%	0.519	31%	0.313	S	S	.	.	H	α-helix	trans	-62.4	-30.6	177.3	-22.9	33.4	0	0	0	113.9	R665 D672 Q673	R665-P669 WeakPolarHBondContact O-CD 3.46Å; P669-D672 WeakPolarHBondContact O-CB 3.46Å; P669-Q673 PolarHBondContact O-N 2.94Å
670	S	92.1	Very high	93.2	Very high	61 Å²	61	60.2 Å²	60.2	43%	0.427	31%	0.305	S	S	.	.	H	α-helix	trans	-69.2	-43.9	177.8	-169.5	0	0	0	0	111.3	L667 V668 Q673 T674	L667-S670 WeakPolarHBondContact O-CB 3.3Å; L667-S670 PolarHBondContact O-N 3.05Å; L667-S670 VanDerWaalsContact O-N 3.11Å; V668-S670 PolarHBondContact O-N 3Å; S670-Q673 PolarHBondContact O-N 2.99Å; S670-T674 PolarHBondContact O-N 3.17Å; S670-T674 VanDerWaalsContact O-N 3.08Å; S670-T674 PolarHBondContact O-OG1 3.41Å
671	C	92.6	Very high	93.1	Very high	17 Å²	17	63.8 Å²	63.8	12%	0.115	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-42	177.3	-171.5	0	0	0	0	111.2	L589 L667 V668 Q673 T674 L675	L589-C671 HydrophobicContact CD2-CB 3.94Å; L667-C671 PolarHBondContact O-N 3.36Å; V668-C671 PolarHBondContact O-N 3.37Å; C671-Q673 VanDerWaalsContact C-N 3.3Å; C671-Q673 PolarHBondContact O-N 3.42Å; C671-T674 PolarHBondContact O-N 3Å; C671-L675 WeakPolarHBondContact O-CB 3.43Å; C671-L675 WeakPolarHBondContact O-CG 3.5Å; C671-L675 PolarHBondContact O-N 3.4Å
672	D	92.1	Very high	92.9	Very high	33 Å²	33	63.1 Å²	63.1	18%	0.176	32%	0.315	C	S	.	.	H	α-helix	trans	-51.8	-48.2	172	-95.9	-31.8	0	0	0	111.6	H608 K612 V668 P669 Q676	H608-D672 IonicContact CD2-OD1 3.27Å; H608-D672 PolarHBondContact CD2-OD1 3.11Å; H608-D672 IonicContact NE2-OD1 3.74Å; H608-D672 PolarHBondContact NE2-OD1 2.78Å; H608-D672 IonicContact NE2-OD2 3.35Å; K612-D672 WeakPolarHBondContact CD-OD2 3.48Å; K612-D672 VanDerWaalsContact NZ-CG 3.27Å; K612-D672 IonicContact NZ-OD1 3.59Å; K612-D672 PolarHBondContact NZ-OD1 3.46Å; K612-D672 IonicContact NZ-OD2 2.99Å; K612-D672 PolarHBondContact NZ-OD2 3.18Å; V668-D672 PolarHBondContact O-N 3.34Å; P669-D672 WeakPolarHBondContact O-CB 3.46Å; D672-Q676 WeakPolarHBondContact O-CB 3.33Å; D672-Q676 VanDerWaalsContact O-CG 3.31Å; D672-Q676 WeakPolarHBondContact O-CG 3.42Å; D672-Q676 PolarHBondContact O-N 3.43Å; D672-Q676 VanDerWaalsContact O-N 3.07Å
673	Q	92.4	Very high	92.8	Very high	113 Å²	113	64.1 Å²	64.1	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-63.6	-49.6	178.8	-177.3	179.4	-8	0	0	111.7	P669 S670 C671 L675 Q676 E677	P669-Q673 PolarHBondContact O-N 2.94Å; S670-Q673 PolarHBondContact O-N 2.99Å; C671-Q673 VanDerWaalsContact C-N 3.3Å; C671-Q673 PolarHBondContact O-N 3.42Å; Q673-L675 VanDerWaalsContact C-N 3.33Å; Q673-L675 PolarHBondContact O-N 3.45Å; Q673-Q676 PolarHBondContact O-N 2.92Å; Q673-Q676 VanDerWaalsContact O-N 3.17Å; Q673-E677 WeakPolarHBondContact CG-OE1 3.41Å; Q673-E677 PolarHBondContact NE2-OE1 3.07Å; Q673-E677 WeakPolarHBondContact O-CG 3.25Å; Q673-E677 PolarHBondContact O-N 3.29Å
674	T	91.6	Very high	92.8	Very high	59 Å²	59	63.8 Å²	63.8	36%	0.362	32%	0.32	S	S	.	.	H	α-helix	trans	-62.1	-40.5	-177.9	-43	0	0	0	0	111.8	W593 S670 C671 E677 E678	W593-T674 HydrophobicContact CH2-CG2 3.91Å; W593-T674 HydrophobicContact CZ2-CG2 3.5Å; S670-T674 PolarHBondContact O-N 3.17Å; S670-T674 VanDerWaalsContact O-N 3.08Å; S670-T674 PolarHBondContact O-OG1 3.41Å; C671-T674 PolarHBondContact O-N 3Å; T674-E677 PolarHBondContact O-N 3.42Å; T674-E678 PolarHBondContact O-N 2.91Å
675	L	92.1	Very high	92.7	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-66.6	-36.3	176.3	-75	172.7	0	0	0	112.3	W593 L604 L605 H608 C671 Q673 L679	W593-L675 HydrophobicContact CD2-CD2 4.36Å; W593-L675 HydrophobicContact CZ2-CD2 4.11Å; L604-L675 HydrophobicContact CB-CD2 3.96Å; L604-L675 HydrophobicContact CD1-CD2 4.33Å; L605-L675 HydrophobicContact CD2-CB 3.71Å; L605-L675 HydrophobicContact CD2-CD1 4.33Å; L605-L675 HydrophobicContact CG-CB 4.1Å; H608-L675 HydrophobicContact CB-CD1 3.79Å; C671-L675 WeakPolarHBondContact O-CB 3.43Å; C671-L675 WeakPolarHBondContact O-CG 3.5Å; C671-L675 PolarHBondContact O-N 3.4Å; Q673-L675 VanDerWaalsContact C-N 3.33Å; Q673-L675 PolarHBondContact O-N 3.45Å; L675-L679 WeakPolarHBondContact O-CB 3.41Å; L675-L679 PolarHBondContact O-N 3.42Å
676	Q	92.3	Very high	92.6	Very high	124 Å²	124	57.9 Å²	57.9	58%	0.579	30%	0.299	S	S	*	.	H	α-helix	trans	-67	-41.8	174.4	-77.3	-178	3.1	0	0	112.4	D672 Q673 E678 L679 A680	D672-Q676 WeakPolarHBondContact O-CB 3.33Å; D672-Q676 VanDerWaalsContact O-CG 3.31Å; D672-Q676 WeakPolarHBondContact O-CG 3.42Å; D672-Q676 PolarHBondContact O-N 3.43Å; D672-Q676 VanDerWaalsContact O-N 3.07Å; Q673-Q676 PolarHBondContact O-N 2.92Å; Q673-Q676 VanDerWaalsContact O-N 3.17Å; Q676-E678 VanDerWaalsContact C-N 3.33Å; Q676-L679 PolarHBondContact O-N 3.48Å; Q676-A680 PolarHBondContact O-N 3.12Å
677	E	91.6	Very high	92.6	Very high	113 Å²	113	57.5 Å²	57.5	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-61.1	-42.8	175.7	-73.1	174.9	-171.9	0	0	111.1	Q673 T674 A680 R681	Q673-E677 WeakPolarHBondContact CG-OE1 3.41Å; Q673-E677 PolarHBondContact NE2-OE1 3.07Å; Q673-E677 WeakPolarHBondContact O-CG 3.25Å; Q673-E677 PolarHBondContact O-N 3.29Å; T674-E677 PolarHBondContact O-N 3.42Å; E677-A680 WeakPolarHBondContact O-CB 3.38Å; E677-A680 PolarHBondContact O-N 3.38Å; E677-R681 PolarHBondContact O-N 3.36Å
678	E	91.4	Very high	92.5	Very high	12 Å²	12	57.1 Å²	57.1	6%	0.056	29%	0.291	C	S	.	.	H	α-helix	trans	-68.4	-39.8	175.9	-171.6	62.8	-157.4	0	0	113	W593 V595 T601 T674 Q676 A680 R681 Q682	W593-E678 HydrophobicContact CE3-CB 4.41Å; W593-E678 HydrophobicContact CE3-CG 3.91Å; W593-E678 HydrophobicContact CH2-CB 3.29Å; W593-E678 HydrophobicContact CH2-CG 3.65Å; W593-E678 HydrophobicContact CZ2-CB 4.13Å; W593-E678 HydrophobicContact CZ3-CB 3.46Å; W593-E678 VanDerWaalsContact CZ3-CB 3.46Å; W593-E678 VanDerWaalsContact CZ3-CD 3.44Å; W593-E678 HydrophobicContact CZ3-CG 3.19Å; W593-E678 WeakPolarHBondContact CZ3-OE2 3.47Å; V595-E678 HydrophobicContact CG2-CG 3.42Å; V595-E678 VanDerWaalsContact CG2-CG 3.42Å; V595-E678 WeakPolarHBondContact CG2-OE1 3.37Å; T601-E678 HydrophobicContact CG2-CB 4.23Å; T601-E678 HydrophobicContact CG2-CG 4.16Å; T674-E678 PolarHBondContact O-N 2.91Å; Q676-E678 VanDerWaalsContact C-N 3.33Å; E678-A680 VanDerWaalsContact C-N 3.26Å; E678-A680 PolarHBondContact O-N 2.87Å; E678-R681 WeakPolarHBondContact O-CB 3.48Å; E678-R681 PolarHBondContact O-N 3.21Å; E678-R681 VanDerWaalsContact O-N 3.12Å; E678-R681 IonicContact OE1-CZ 3.18Å; E678-R681 IonicContact OE1-NE 3.7Å; E678-R681 PolarHBondContact OE1-NE 3.3Å; E678-R681 IonicContact OE1-NH1 2.72Å; E678-R681 PolarHBondContact OE1-NH1 3.27Å; E678-R681 IonicContact OE1-NH2 2.98Å; E678-R681 PolarHBondContact OE1-NH2 3.25Å; E678-R681 IonicContact OE2-CZ 2.63Å; E678-R681 VanDerWaalsContact OE2-CZ 3.25Å; E678-R681 IonicContact OE2-NE 2.74Å; E678-R681 IonicContact OE2-NH1 3.21Å; E678-R681 PolarHBondContact OE2-NH1 2.77Å; E678-Q682 HydrophobicContact CG-CG 4.31Å; E678-Q682 WeakPolarHBondContact O-CG 3.4Å; E678-Q682 PolarHBondContact O-N 3.46Å; E678-Q682 PolarHBondContact OE1-NE2 2.96Å
679	L	92.9	Very high	92.5	Very high	25 Å²	25	57.1 Å²	57.1	13%	0.131	29%	0.29	C	S	.	.	H	α-helix	trans	-58.8	-43.9	175.3	-178.3	70.1	0	0	0	110.1	V598 T601 L605 L675 Q676 R681 Q682 Q683	V598-L679 HydrophobicContact CG1-CD1 3.94Å; T601-L679 HydrophobicContact CG2-CB 3.93Å; T601-L679 HydrophobicContact CG2-CD1 4.24Å; L605-L679 HydrophobicContact CD1-CB 4.04Å; L605-L679 HydrophobicContact CD1-CD1 4.31Å; L605-L679 HydrophobicContact CD1-CD2 3.64Å; L605-L679 HydrophobicContact CD1-CG 4.19Å; L675-L679 WeakPolarHBondContact O-CB 3.41Å; L675-L679 PolarHBondContact O-N 3.42Å; Q676-L679 PolarHBondContact O-N 3.48Å; L679-R681 VanDerWaalsContact C-N 3.34Å; L679-R681 PolarHBondContact O-N 3.33Å; L679-Q682 PolarHBondContact O-N 2.82Å; L679-Q683 HydrophobicContact CG-CG 4.49Å; L679-Q683 WeakPolarHBondContact O-CB 3.48Å; L679-Q683 VanDerWaalsContact O-CG 3.25Å; L679-Q683 WeakPolarHBondContact O-CG 3.35Å; L679-Q683 PolarHBondContact O-N 3.45Å
680	A	92.3	Very high	92.5	Very high	50 Å²	50	60.3 Å²	60.3	41%	0.413	29%	0.292	S	S	.	.	H	α-helix	trans	-60.4	-43.9	175.8	0	0	0	0	0	111.4	Q676 E677 E678 Q683 V684	Q676-A680 PolarHBondContact O-N 3.12Å; E677-A680 WeakPolarHBondContact O-CB 3.38Å; E677-A680 PolarHBondContact O-N 3.38Å; E678-A680 VanDerWaalsContact C-N 3.26Å; E678-A680 PolarHBondContact O-N 2.87Å; A680-Q683 PolarHBondContact O-N 2.96Å; A680-V684 WeakPolarHBondContact O-CG2 3.37Å; A680-V684 PolarHBondContact O-N 2.91Å
681	R	91.7	Very high	92.5	Very high	129 Å²	129	62.2 Å²	62.2	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-58.4	-50.2	175.6	-165.4	-175.9	101	-166.4	11.2	112	E677 E678 L679 Q683 V684 N685	E677-R681 PolarHBondContact O-N 3.36Å; E678-R681 WeakPolarHBondContact O-CB 3.48Å; E678-R681 PolarHBondContact O-N 3.21Å; E678-R681 VanDerWaalsContact O-N 3.12Å; E678-R681 IonicContact OE1-CZ 3.18Å; E678-R681 IonicContact OE1-NE 3.7Å; E678-R681 PolarHBondContact OE1-NE 3.3Å; E678-R681 IonicContact OE1-NH1 2.72Å; E678-R681 PolarHBondContact OE1-NH1 3.27Å; E678-R681 IonicContact OE1-NH2 2.98Å; E678-R681 PolarHBondContact OE1-NH2 3.25Å; E678-R681 IonicContact OE2-CZ 2.63Å; E678-R681 VanDerWaalsContact OE2-CZ 3.25Å; E678-R681 IonicContact OE2-NE 2.74Å; E678-R681 IonicContact OE2-NH1 3.21Å; E678-R681 PolarHBondContact OE2-NH1 2.77Å; L679-R681 VanDerWaalsContact C-N 3.34Å; L679-R681 PolarHBondContact O-N 3.33Å; R681-Q683 VanDerWaalsContact C-N 3.33Å; R681-Q683 PolarHBondContact O-N 3.28Å; R681-V684 WeakPolarHBondContact O-CB 3.31Å; R681-V684 PolarHBondContact O-N 3.25Å; R681-V684 VanDerWaalsContact O-N 3.17Å; R681-N685 PolarHBondContact O-N 3.22Å; R681-N685 PolarHBondContact O-OD1 2.74Å
682	Q	92.1	Very high	92.7	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.014	29%	0.289	C	S	.	.	H	α-helix	trans	-66.7	-34.1	-179.5	-64.2	-61	-25	0	0	112.3	V595 V598 E678 L679 N685 E686	V595-Q682 HydrophobicContact CG2-CG 4.21Å; V595-Q682 PolarHBondContact O-NE2 3.43Å; V595-Q682 VanDerWaalsContact O-NE2 3.07Å; V598-Q682 HydrophobicContact CG2-CB 3.86Å; V598-Q682 WeakPolarHBondContact CG2-O 3.34Å; E678-Q682 HydrophobicContact CG-CG 4.31Å; E678-Q682 WeakPolarHBondContact O-CG 3.4Å; E678-Q682 PolarHBondContact O-N 3.46Å; E678-Q682 PolarHBondContact OE1-NE2 2.96Å; L679-Q682 PolarHBondContact O-N 2.82Å; Q682-N685 PolarHBondContact O-N 3.08Å; Q682-E686 WeakPolarHBondContact O-CB 3.39Å; Q682-E686 PolarHBondContact O-N 3.06Å
683	Q	92.6	Very high	92.7	Very high	76 Å²	76	60.2 Å²	60.2	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-64.9	-39.1	172.5	-75.6	178	5.8	0	0	112.2	V598 L679 A680 R681 R687	V598-Q683 HydrophobicContact CG1-CG 4.27Å; V598-Q683 HydrophobicContact CG2-CG 4.31Å; L679-Q683 HydrophobicContact CG-CG 4.49Å; L679-Q683 WeakPolarHBondContact O-CB 3.48Å; L679-Q683 VanDerWaalsContact O-CG 3.25Å; L679-Q683 WeakPolarHBondContact O-CG 3.35Å; L679-Q683 PolarHBondContact O-N 3.45Å; A680-Q683 PolarHBondContact O-N 2.96Å; R681-Q683 VanDerWaalsContact C-N 3.33Å; R681-Q683 PolarHBondContact O-N 3.28Å; Q683-R687 VanDerWaalsContact O-CG 3.31Å; Q683-R687 WeakPolarHBondContact O-CG 3.44Å; Q683-R687 PolarHBondContact O-N 3.39Å
684	V	92.9	Very high	92.8	Very high	74 Å²	74	58.1 Å²	58.1	45%	0.448	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-46.3	173	171.8	0	0	0	0	110.3	A680 R681 E686 R687 L688	A680-V684 WeakPolarHBondContact O-CG2 3.37Å; A680-V684 PolarHBondContact O-N 2.91Å; R681-V684 WeakPolarHBondContact O-CB 3.31Å; R681-V684 PolarHBondContact O-N 3.25Å; R681-V684 VanDerWaalsContact O-N 3.17Å; V684-E686 PolarHBondContact O-N 3.49Å; V684-R687 WeakPolarHBondContact O-CB 3.5Å; V684-R687 PolarHBondContact O-N 2.94Å; V684-R687 VanDerWaalsContact O-N 3.08Å; V684-L688 HydrophobicContact CG1-CD1 4.33Å; V684-L688 PolarHBondContact O-N 2.83Å
685	N	93.3	Very high	92.8	Very high	10 Å²	10	57 Å²	57	5%	0.053	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-44.8	177.1	-71.7	0.5	0	0	0	112.2	R681 Q682 R687 L688 R689 V757	R681-N685 PolarHBondContact O-N 3.22Å; R681-N685 PolarHBondContact O-OD1 2.74Å; Q682-N685 PolarHBondContact O-N 3.08Å; N685-R687 VanDerWaalsContact C-N 3.33Å; N685-R687 PolarHBondContact O-N 2.95Å; N685-L688 PolarHBondContact O-N 2.74Å; N685-R689 WeakPolarHBondContact O-CG 3.33Å; N685-R689 PolarHBondContact O-N 3.44Å; N685-V757 HydrophobicContact CB-CG2 3.76Å
686	E	93.1	Very high	92.9	Very high	24 Å²	24	56.8 Å²	56.8	11%	0.112	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-35.7	175.5	177.1	63	-168	0	0	112.5	V598 Q682 V684 R689 R690 H762	V598-E686 HydrophobicContact CG2-CB 4.1Å; Q682-E686 WeakPolarHBondContact O-CB 3.39Å; Q682-E686 PolarHBondContact O-N 3.06Å; V684-E686 PolarHBondContact O-N 3.49Å; E686-R689 PolarHBondContact O-N 3.09Å; E686-R690 WeakPolarHBondContact O-CG 3.43Å; E686-R690 PolarHBondContact O-N 3.48Å; E686-R690 VanDerWaalsContact O-N 3.09Å; E686-R690 IonicContact OE1-CZ 3.62Å; E686-R690 IonicContact OE1-NE 3.62Å; E686-R690 PolarHBondContact OE1-NE 3.41Å; E686-R690 IonicContact OE1-NH2 3.4Å; E686-R690 PolarHBondContact OE1-NH2 2.95Å; E686-R690 VanDerWaalsContact OE1-NH2 3.17Å; E686-H762 IonicContact OE1-CD2 3.13Å; E686-H762 IonicContact OE1-CE1 3.1Å; E686-H762 PolarHBondContact OE1-CE1 2.68Å; E686-H762 VanDerWaalsContact OE1-CE1 3.28Å; E686-H762 IonicContact OE1-NE2 3.17Å; E686-H762 PolarHBondContact OE1-NE2 3.43Å; E686-H762 IonicContact OE2-NE2 3.95Å
687	R	93.1	Very high	93	Very high	154 Å²	154	54 Å²	54	58%	0.581	26%	0.263	S	S	*	.	H	α-helix	trans	-64.8	-45.1	173.4	-71.7	171.9	-169.9	178.3	6.2	111.5	Q683 V684 N685 R689 R690 Q691	Q683-R687 VanDerWaalsContact O-CG 3.31Å; Q683-R687 WeakPolarHBondContact O-CG 3.44Å; Q683-R687 PolarHBondContact O-N 3.39Å; V684-R687 WeakPolarHBondContact O-CB 3.5Å; V684-R687 PolarHBondContact O-N 2.94Å; V684-R687 VanDerWaalsContact O-N 3.08Å; N685-R687 VanDerWaalsContact C-N 3.33Å; N685-R687 PolarHBondContact O-N 2.95Å; R687-R689 VanDerWaalsContact C-N 3.34Å; R687-R689 PolarHBondContact O-N 3.35Å; R687-R690 PolarHBondContact O-N 3.48Å; R687-Q691 WeakPolarHBondContact O-CG 3.49Å; R687-Q691 PolarHBondContact O-N 3.32Å
688	L	93	Very high	93	Very high	24 Å²	24	51.3 Å²	51.3	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-43.6	176.5	-68.7	174.1	0	0	0	111.1	V684 N685 R690 Q691 F692 L751 L752	V684-L688 HydrophobicContact CG1-CD1 4.33Å; V684-L688 PolarHBondContact O-N 2.83Å; N685-L688 PolarHBondContact O-N 2.74Å; L688-R690 VanDerWaalsContact C-N 3.33Å; L688-R690 PolarHBondContact O-N 3.09Å; L688-Q691 PolarHBondContact O-N 3.21Å; L688-F692 PolarHBondContact O-N 2.97Å; L688-L751 HydrophobicContact CD1-CB 4.5Å; L688-L751 HydrophobicContact CD2-CB 4.13Å; L688-L751 HydrophobicContact CD2-CD1 4.3Å; L688-L752 HydrophobicContact CB-CD2 3.51Å; L688-L752 HydrophobicContact CB-CG 4.01Å
689	R	93.8	Very high	93.2	Very high	13 Å²	13	50.9 Å²	50.9	5%	0.049	26%	0.258	C	S	.	.	H	α-helix	trans	-56.9	-47.3	175.6	-73.3	-178.4	-179.9	117.9	-5.7	110.9	H596 N685 E686 R687 A693 L752 V757 D759 N760	H596-R689 PolarHBondContact O-NH2 2.91Å; N685-R689 WeakPolarHBondContact O-CG 3.33Å; N685-R689 PolarHBondContact O-N 3.44Å; E686-R689 PolarHBondContact O-N 3.09Å; R687-R689 VanDerWaalsContact C-N 3.34Å; R687-R689 PolarHBondContact O-N 3.35Å; R689-A693 VanDerWaalsContact O-CB 3.22Å; R689-A693 WeakPolarHBondContact O-CB 3.29Å; R689-A693 PolarHBondContact O-N 3.15Å; R689-L752 HydrophobicContact CG-CD2 4.01Å; R689-V757 HydrophobicContact CG-CG1 3.75Å; R689-D759 WeakPolarHBondContact CD-O 3.39Å; R689-D759 IonicContact CZ-OD1 2.84Å; R689-D759 IonicContact CZ-OD2 3.27Å; R689-D759 PolarHBondContact NE-O 3Å; R689-D759 IonicContact NE-OD1 3.44Å; R689-D759 IonicContact NE-OD2 3.07Å; R689-D759 IonicContact NH2-OD1 2.71Å; R689-D759 PolarHBondContact NH2-OD1 2.83Å; R689-D759 IonicContact NH2-OD2 3.91Å; R689-N760 PolarHBondContact O-ND2 3.07Å; R689-N760 PolarHBondContact O-OD1 2.89Å
690	R	93.7	Very high	93.1	Very high	148 Å²	148	50.1 Å²	50.1	56%	0.558	26%	0.256	S	S	*	.	H	α-helix	trans	-66.3	-37.9	178.7	-70.7	179.7	-172.9	-155.8	1.2	113.1	E686 R687 L688 A693 A694	E686-R690 WeakPolarHBondContact O-CG 3.43Å; E686-R690 PolarHBondContact O-N 3.48Å; E686-R690 VanDerWaalsContact O-N 3.09Å; E686-R690 IonicContact OE1-CZ 3.62Å; E686-R690 IonicContact OE1-NE 3.62Å; E686-R690 PolarHBondContact OE1-NE 3.41Å; E686-R690 IonicContact OE1-NH2 3.4Å; E686-R690 PolarHBondContact OE1-NH2 2.95Å; E686-R690 VanDerWaalsContact OE1-NH2 3.17Å; R687-R690 PolarHBondContact O-N 3.48Å; L688-R690 VanDerWaalsContact C-N 3.33Å; L688-R690 PolarHBondContact O-N 3.09Å; R690-A693 PolarHBondContact O-N 3.16Å; R690-A694 VanDerWaalsContact O-CB 3.28Å; R690-A694 WeakPolarHBondContact O-CB 3.43Å; R690-A694 PolarHBondContact O-N 3.37Å
691	Q	93.2	Very high	93.1	Very high	100 Å²	100	50.6 Å²	50.6	47%	0.467	26%	0.255	S	S	.	.	H	α-helix	trans	-63.8	-51.8	178.1	-76.5	173.8	-9.2	0	0	111.4	R687 L688 A693 A694 Q695	R687-Q691 WeakPolarHBondContact O-CG 3.49Å; R687-Q691 PolarHBondContact O-N 3.32Å; L688-Q691 PolarHBondContact O-N 3.21Å; Q691-A693 VanDerWaalsContact C-N 3.33Å; Q691-A693 PolarHBondContact O-N 3.39Å; Q691-A694 PolarHBondContact O-N 3.39Å; Q691-Q695 PolarHBondContact O-N 3.24Å
692	F	94.9	Very high	93.3	Very high	6 Å²	6	47 Å²	47	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-57.3	-47.5	174.7	176.9	-88.7	0	0	0	111.1	L688 A694 Q695 A696 L745 D748 H749 L752 N760 T763 M767	L688-F692 PolarHBondContact O-N 2.97Å; F692-A694 PolarHBondContact O-N 2.92Å; F692-Q695 PolarHBondContact O-N 3.28Å; F692-A696 HydrophobicContact CD1-CB 4.37Å; F692-A696 HydrophobicContact CE1-CB 4.03Å; F692-A696 HydrophobicContact CZ-CB 4.38Å; F692-A696 VanDerWaalsContact O-CB 3.3Å; F692-A696 WeakPolarHBondContact O-CB 3.36Å; F692-A696 PolarHBondContact O-N 3.22Å; F692-L745 HydrophobicContact CD2-CD1 3.49Å; F692-L745 VanDerWaalsContact CD2-CD1 3.49Å; F692-L745 HydrophobicContact CD2-CG 4.19Å; F692-L745 HydrophobicContact CE2-CD1 3.54Å; F692-L745 HydrophobicContact CE2-CD2 4.43Å; F692-L745 HydrophobicContact CE2-CG 3.82Å; F692-L745 HydrophobicContact CG-CD1 4.08Å; F692-L745 HydrophobicContact CZ-CD1 4.19Å; F692-L745 WeakPolarHBondContact O-CD1 3.42Å; F692-D748 HydrophobicContact CB-CB 4.33Å; F692-D748 HydrophobicContact CD2-CB 4.33Å; F692-H749 HydrophobicContact CD2-CB 4Å; F692-H749 HydrophobicContact CE2-CB 3.71Å; F692-H749 AromaticContact CE2-ND1 3.89Å; F692-L752 HydrophobicContact CB-CD1 3.5Å; F692-L752 HydrophobicContact CD1-CD1 4.39Å; F692-L752 HydrophobicContact CD2-CD1 4.22Å; F692-L752 HydrophobicContact CG-CD1 3.78Å; F692-N760 WeakPolarHBondContact CD1-ND2 3.48Å; F692-T763 HydrophobicContact CD1-CG2 4.1Å; F692-T763 HydrophobicContact CE1-CG2 4.09Å; F692-M767 HydrophobicContact CE2-CB 4.28Å; F692-M767 HydrophobicContact CE2-SD 3.97Å; F692-M767 HydrophobicContact CZ-CB 4.08Å; F692-M767 HydrophobicContact CZ-SD 4.32Å
693	A	93.4	Very high	93.3	Very high	2 Å²	2	47.3 Å²	47.3	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-42.3	-179.1	0	0	0	0	0	112.9	R689 R690 Q691 Q695 A696 N697 H762 T763	R689-A693 VanDerWaalsContact O-CB 3.22Å; R689-A693 WeakPolarHBondContact O-CB 3.29Å; R689-A693 PolarHBondContact O-N 3.15Å; R690-A693 PolarHBondContact O-N 3.16Å; Q691-A693 VanDerWaalsContact C-N 3.33Å; Q691-A693 PolarHBondContact O-N 3.39Å; A693-Q695 VanDerWaalsContact C-N 3.3Å; A693-Q695 PolarHBondContact O-N 2.67Å; A693-A696 PolarHBondContact O-N 3.48Å; A693-N697 WeakPolarHBondContact O-CB 3.22Å; A693-N697 PolarHBondContact O-N 3.17Å; A693-N697 PolarHBondContact O-ND2 2.88Å; A693-N697 VanDerWaalsContact O-ND2 3.08Å; A693-H762 HydrophobicContact CB-CB 3.45Å; A693-H762 VanDerWaalsContact CB-CB 3.45Å; A693-T763 HydrophobicContact CB-CG2 3.76Å
694	A	93.3	Very high	93.1	Very high	70 Å²	70	49.1 Å²	49.1	58%	0.579	25%	0.251	S	S	*	.	H	α-helix	trans	-60.2	-41.2	177.8	0	0	0	0	0	111.8	R690 Q691 F692 A698	R690-A694 VanDerWaalsContact O-CB 3.28Å; R690-A694 WeakPolarHBondContact O-CB 3.43Å; R690-A694 PolarHBondContact O-N 3.37Å; Q691-A694 PolarHBondContact O-N 3.39Å; F692-A694 PolarHBondContact O-N 2.92Å; A694-A698 PolarHBondContact O-N 2.71Å
695	Q	93.3	Very high	93	Very high	35 Å²	35	48 Å²	48	16%	0.164	25%	0.25	C	C	.	.	H	α-helix	trans	-72.8	-46.1	176.4	-71	-173.1	38.5	0	0	112	Q691 F692 A693 N697 A698 I699 L745 D748	Q691-Q695 PolarHBondContact O-N 3.24Å; F692-Q695 PolarHBondContact O-N 3.28Å; A693-Q695 VanDerWaalsContact C-N 3.3Å; A693-Q695 PolarHBondContact O-N 2.67Å; Q695-N697 VanDerWaalsContact C-N 3.35Å; Q695-N697 PolarHBondContact O-N 2.99Å; Q695-A698 WeakPolarHBondContact O-CB 3.5Å; Q695-A698 PolarHBondContact O-N 3.2Å; Q695-A698 VanDerWaalsContact O-N 3.08Å; Q695-I699 HydrophobicContact CB-CD1 4.37Å; Q695-I699 WeakPolarHBondContact O-CB 3.44Å; Q695-I699 VanDerWaalsContact O-CG1 3.29Å; Q695-I699 WeakPolarHBondContact O-CG1 3.39Å; Q695-I699 PolarHBondContact O-N 3.33Å; Q695-L745 HydrophobicContact CB-CD1 3.63Å; Q695-D748 PolarHBondContact NE2-OD2 3.42Å
696	A	93.3	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-42.3	179.8	0	0	0	0	0	112.2	F692 A693 A698 I699 G700 L745	F692-A696 HydrophobicContact CD1-CB 4.37Å; F692-A696 HydrophobicContact CE1-CB 4.03Å; F692-A696 HydrophobicContact CZ-CB 4.38Å; F692-A696 VanDerWaalsContact O-CB 3.3Å; F692-A696 WeakPolarHBondContact O-CB 3.36Å; F692-A696 PolarHBondContact O-N 3.22Å; A693-A696 PolarHBondContact O-N 3.48Å; A696-A698 PolarHBondContact O-N 3.38Å; A696-I699 PolarHBondContact O-N 2.77Å; A696-G700 PolarHBondContact O-N 2.98Å; A696-L745 HydrophobicContact CB-CD1 4.03Å; A696-L745 HydrophobicContact CB-CD2 4.23Å
697	N	94	Very high	92.6	Very high	66 Å²	66	50.5 Å²	50.5	35%	0.353	26%	0.264	S	S	.	.	H	α-helix	trans	-67.8	-20.5	177.1	-71.4	-31	0	0	0	113.2	A693 Q695 P701 H762 T763	A693-N697 WeakPolarHBondContact O-CB 3.22Å; A693-N697 PolarHBondContact O-N 3.17Å; A693-N697 PolarHBondContact O-ND2 2.88Å; A693-N697 VanDerWaalsContact O-ND2 3.08Å; Q695-N697 VanDerWaalsContact C-N 3.35Å; Q695-N697 PolarHBondContact O-N 2.99Å; N697-P701 WeakPolarHBondContact O-CD 3.4Å; N697-P701 WeakPolarHBondContact O-CG 3.48Å; N697-H762 PolarHBondContact ND2-O 3.37Å; N697-T763 PolarHBondContact OD1-OG1 3.12Å; N697-T763 VanDerWaalsContact OD1-OG1 3.08Å
698	A	92.8	Very high	92.3	Very high	56 Å²	56	48 Å²	48	46%	0.463	26%	0.259	S	S	.	.	H	α-helix	trans	-85.1	-40.2	171.2	0	0	0	0	0	111.8	A694 Q695 A696 W702	A694-A698 PolarHBondContact O-N 2.71Å; Q695-A698 WeakPolarHBondContact O-CB 3.5Å; Q695-A698 PolarHBondContact O-N 3.2Å; Q695-A698 VanDerWaalsContact O-N 3.08Å; A696-A698 PolarHBondContact O-N 3.38Å; A698-W702 WeakPolarHBondContact O-CB 3.44Å
699	I	94.8	Very high	91.9	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-74.7	-44.3	-175.2	-69.4	164.2	0	0	0	111.9	Q695 A696 W702 I703 Y738 N741 I742 L745 I770	Q695-I699 HydrophobicContact CB-CD1 4.37Å; Q695-I699 WeakPolarHBondContact O-CB 3.44Å; Q695-I699 VanDerWaalsContact O-CG1 3.29Å; Q695-I699 WeakPolarHBondContact O-CG1 3.39Å; Q695-I699 PolarHBondContact O-N 3.33Å; A696-I699 PolarHBondContact O-N 2.77Å; I699-W702 WeakPolarHBondContact O-CB 3.47Å; I699-W702 PolarHBondContact O-N 3.23Å; I699-W702 VanDerWaalsContact O-N 3.12Å; I699-I703 HydrophobicContact CG2-CD1 3.72Å; I699-I703 HydrophobicContact CG2-CG1 4.17Å; I699-I703 WeakPolarHBondContact O-CG1 3.45Å; I699-I703 PolarHBondContact O-N 2.78Å; I699-Y738 HydrophobicContact CG1-CE1 4.19Å; I699-N741 HydrophobicContact CD1-CB 4.48Å; I699-I742 HydrophobicContact CD1-CD1 4.32Å; I699-I742 HydrophobicContact CG1-CD1 4.48Å; I699-I742 HydrophobicContact CG2-CD1 3.33Å; I699-L745 HydrophobicContact CD1-CB 3.83Å; I699-L745 HydrophobicContact CD1-CD2 3.81Å; I699-L745 HydrophobicContact CD1-CG 4.31Å; I699-I770 HydrophobicContact CG2-CD1 4.25Å; I699-I770 HydrophobicContact CG2-CG2 3.7Å
700	G	91.3	Very high	91.5	Very high	8 Å²	8	48.7 Å²	48.7	8%	0.082	26%	0.263	C	S	.	.	H	α-helix	trans	-54.6	-56.3	-176.5	0	0	0	0	0	113.3	A696 W702 I703 Q704	A696-G700 PolarHBondContact O-N 2.98Å; G700-W702 VanDerWaalsContact C-N 3.28Å; G700-W702 PolarHBondContact O-N 3.03Å; G700-I703 PolarHBondContact O-N 3.41Å; G700-Q704 PolarHBondContact O-N 3.45Å
701	P	92.8	Very high	90.9	Very high	61 Å²	61	43.6 Å²	43.6	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-62.3	-33	175.9	-24.4	35.3	0	0	0	113.6	N697 Q704 A705 Y765	N697-P701 WeakPolarHBondContact O-CD 3.4Å; N697-P701 WeakPolarHBondContact O-CG 3.48Å; P701-Q704 PolarHBondContact O-N 3.01Å; P701-A705 WeakPolarHBondContact O-CB 3.28Å; P701-A705 PolarHBondContact O-N 3.49Å; P701-Y765 HydrophobicContact CG-CE2 4.44Å
702	W	93.9	Very high	90.3	Very high	54 Å²	54	46.2 Å²	46.2	21%	0.205	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-43	177	-178.1	96.9	0	0	0	111.6	A698 I699 G700 A705 K706 I735 Y738 W774 L777	A698-W702 WeakPolarHBondContact O-CB 3.44Å; I699-W702 WeakPolarHBondContact O-CB 3.47Å; I699-W702 PolarHBondContact O-N 3.23Å; I699-W702 VanDerWaalsContact O-N 3.12Å; G700-W702 VanDerWaalsContact C-N 3.28Å; G700-W702 PolarHBondContact O-N 3.03Å; W702-A705 PolarHBondContact O-N 3.29Å; W702-K706 HydrophobicContact CD2-CG 4.15Å; W702-K706 HydrophobicContact CE3-CG 4.18Å; W702-K706 HydrophobicContact CH2-CG 3.85Å; W702-K706 HydrophobicContact CZ2-CD 4.4Å; W702-K706 HydrophobicContact CZ2-CG 3.86Å; W702-K706 HydrophobicContact CZ3-CG 3.98Å; W702-K706 WeakPolarHBondContact O-CG 3.34Å; W702-K706 PolarHBondContact O-N 3.19Å; W702-I735 HydrophobicContact CH2-CG1 4.16Å; W702-Y738 AromaticContact CD1-CE2 4Å; W702-Y738 AromaticContact CD1-CZ 3.91Å; W702-Y738 AromaticContact CD2-CD1 3.83Å; W702-Y738 HydrophobicContact CD2-CD1 3.83Å; W702-Y738 HydrophobicContact CD2-CD2 4.34Å; W702-Y738 AromaticContact CD2-CE1 3.61Å; W702-Y738 HydrophobicContact CD2-CE1 3.61Å; W702-Y738 HydrophobicContact CD2-CE2 4.16Å; W702-Y738 HydrophobicContact CD2-CG 4.17Å; W702-Y738 AromaticContact CD2-CZ 3.79Å; W702-Y738 AromaticContact CE2-CD1 3.88Å; W702-Y738 AromaticContact CE2-CD2 3.67Å; W702-Y738 AromaticContact CE2-CE1 3.97Å; W702-Y738 AromaticContact CE2-CE2 3.78Å; W702-Y738 AromaticContact CE2-CG 3.72Å; W702-Y738 AromaticContact CE2-CZ 3.91Å; W702-Y738 AromaticContact CE3-CD1 3.69Å; W702-Y738 HydrophobicContact CE3-CD1 3.69Å; W702-Y738 AromaticContact CE3-CE1 3.73Å; W702-Y738 HydrophobicContact CE3-CE1 3.73Å; W702-Y738 HydrophobicContact CE3-CG 4.3Å; W702-Y738 HydrophobicContact CG-CE1 4.02Å; W702-Y738 HydrophobicContact CG-CE2 4.3Å; W702-Y738 AromaticContact CG-CZ 3.81Å; W702-Y738 AromaticContact CH2-CD1 3.75Å; W702-Y738 HydrophobicContact CH2-CD1 3.75Å; W702-Y738 HydrophobicContact CH2-CD2 4.33Å; W702-Y738 AromaticContact CH2-CG 3.62Å; W702-Y738 HydrophobicContact CH2-CG 3.62Å; W702-Y738 AromaticContact CZ2-CD1 3.84Å; W702-Y738 HydrophobicContact CZ2-CD1 3.84Å; W702-Y738 AromaticContact CZ2-CD2 3.65Å; W702-Y738 HydrophobicContact CZ2-CD2 3.65Å; W702-Y738 HydrophobicContact CZ2-CE1 4.4Å; W702-Y738 HydrophobicContact CZ2-CE2 4.25Å; W702-Y738 AromaticContact CZ2-CG 3.41Å; W702-Y738 HydrophobicContact CZ2-CG 3.41Å; W702-Y738 VanDerWaalsContact CZ2-CG 3.41Å; W702-Y738 AromaticContact CZ3-CD1 3.71Å; W702-Y738 HydrophobicContact CZ3-CD1 3.71Å; W702-Y738 HydrophobicContact CZ3-CE1 4.24Å; W702-Y738 HydrophobicContact CZ3-CG 4.09Å; W702-Y738 AromaticContact NE1-CD2 3.88Å; W702-Y738 AromaticContact NE1-CE2 3.64Å; W702-Y738 AromaticContact NE1-CZ 3.94Å; W702-W774 HydrophobicContact CE3-CZ3 4.25Å; W702-W774 HydrophobicContact CH2-CH2 4.38Å; W702-W774 AromaticContact CH2-CZ3 4Å; W702-W774 HydrophobicContact CH2-CZ3 4Å; W702-W774 HydrophobicContact CZ3-CE3 4.22Å; W702-W774 HydrophobicContact CZ3-CH2 4.21Å; W702-W774 AromaticContact CZ3-CZ3 3.4Å; W702-W774 HydrophobicContact CZ3-CZ3 3.4Å; W702-W774 VanDerWaalsContact CZ3-CZ3 3.4Å; W702-L777 HydrophobicContact CZ3-CD2 4.07Å
703	I	92	Very high	89.6	Confident	9 Å²	9	48.4 Å²	48.4	5%	0.046	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-48.6	175.9	-68.1	172.6	0	0	0	109.7	I699 G700 A705 K706 V707 I742 I770 G773 W774 L777	I699-I703 HydrophobicContact CG2-CD1 3.72Å; I699-I703 HydrophobicContact CG2-CG1 4.17Å; I699-I703 WeakPolarHBondContact O-CG1 3.45Å; I699-I703 PolarHBondContact O-N 2.78Å; G700-I703 PolarHBondContact O-N 3.41Å; I703-A705 PolarHBondContact O-N 3.28Å; I703-K706 PolarHBondContact O-N 3.42Å; I703-K706 VanDerWaalsContact O-N 3.15Å; I703-V707 HydrophobicContact CG2-CG2 4.43Å; I703-V707 WeakPolarHBondContact O-CG2 3.47Å; I703-V707 PolarHBondContact O-N 2.91Å; I703-I742 HydrophobicContact CD1-CD1 4.43Å; I703-I770 HydrophobicContact CD1-CG2 3.99Å; I703-G773 WeakPolarHBondContact CG2-O 3.26Å; I703-W774 HydrophobicContact CD1-CB 4.09Å; I703-W774 HydrophobicContact CD1-CE3 4.07Å; I703-W774 HydrophobicContact CG1-CE3 4.03Å; I703-L777 HydrophobicContact CG2-CB 4.38Å; I703-L777 HydrophobicContact CG2-CD2 4.29Å
704	Q	89.2	Confident	88.5	Confident	114 Å²	114	50.2 Å²	50.2	53%	0.533	29%	0.288	S	S	.	.	H	α-helix	trans	-58.8	-46.9	179.7	-174.9	177.2	-8.4	0	0	111.9	G700 P701 K706 V707 E708	G700-Q704 PolarHBondContact O-N 3.45Å; P701-Q704 PolarHBondContact O-N 3.01Å; Q704-K706 VanDerWaalsContact C-N 3.26Å; Q704-K706 PolarHBondContact O-N 3.25Å; Q704-V707 PolarHBondContact O-N 3.43Å; Q704-E708 PolarHBondContact O-N 3.04Å; Q704-E708 VanDerWaalsContact O-N 3.08Å
705	A	90.6	Very high	87.4	Confident	50 Å²	50	50 Å²	50	41%	0.413	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-36.9	177.7	0	0	0	0	0	112.3	P701 W702 I703 E709	P701-A705 WeakPolarHBondContact O-CB 3.28Å; P701-A705 PolarHBondContact O-N 3.49Å; W702-A705 PolarHBondContact O-N 3.29Å; I703-A705 PolarHBondContact O-N 3.28Å; A705-E709 WeakPolarHBondContact O-CB 3.41Å; A705-E709 PolarHBondContact O-N 2.95Å
706	K	89.9	Confident	86	Confident	30 Å²	30	50 Å²	50	13%	0.13	30%	0.296	C	S	.	.	H	α-helix	trans	-72.5	-37.5	176.8	-73	-65.3	174.9	-165.4	0	113.3	W702 I703 Q704 E708 E709 V710 L777	W702-K706 HydrophobicContact CD2-CG 4.15Å; W702-K706 HydrophobicContact CE3-CG 4.18Å; W702-K706 HydrophobicContact CH2-CG 3.85Å; W702-K706 HydrophobicContact CZ2-CD 4.4Å; W702-K706 HydrophobicContact CZ2-CG 3.86Å; W702-K706 HydrophobicContact CZ3-CG 3.98Å; W702-K706 WeakPolarHBondContact O-CG 3.34Å; W702-K706 PolarHBondContact O-N 3.19Å; I703-K706 PolarHBondContact O-N 3.42Å; I703-K706 VanDerWaalsContact O-N 3.15Å; Q704-K706 VanDerWaalsContact C-N 3.26Å; Q704-K706 PolarHBondContact O-N 3.25Å; K706-E708 VanDerWaalsContact C-N 3.31Å; K706-E708 PolarHBondContact O-N 3.44Å; K706-E709 WeakPolarHBondContact CD-OE2 3.29Å; K706-E709 IonicContact NZ-OE1 2.77Å; K706-E709 IonicContact NZ-OE2 2.99Å; K706-E709 PolarHBondContact NZ-OE2 3.22Å; K706-E709 PolarHBondContact O-N 2.91Å; K706-V710 WeakPolarHBondContact O-CG2 3.43Å; K706-V710 PolarHBondContact O-N 3.02Å; K706-L777 HydrophobicContact CB-CD1 3.96Å; K706-L777 HydrophobicContact CB-CD2 3.72Å
707	V	88.1	Confident	84.3	Confident	56 Å²	56	57.7 Å²	57.7	34%	0.339	34%	0.336	S	S	.	.	H	α-helix	trans	-59.5	-45.1	172.7	172.1	0	0	0	0	110.3	I703 Q704 E709 V710 G711 L777	I703-V707 HydrophobicContact CG2-CG2 4.43Å; I703-V707 WeakPolarHBondContact O-CG2 3.47Å; I703-V707 PolarHBondContact O-N 2.91Å; Q704-V707 PolarHBondContact O-N 3.43Å; V707-E709 PolarHBondContact O-N 3.08Å; V707-V710 PolarHBondContact O-N 3.41Å; V707-G711 PolarHBondContact O-N 2.83Å; V707-L777 HydrophobicContact CB-CD1 4.41Å; V707-L777 HydrophobicContact CG2-CB 3.89Å; V707-L777 HydrophobicContact CG2-CD1 3.71Å; V707-L777 HydrophobicContact CG2-CG 4.29Å
708	E	86.4	Confident	82.3	Confident	101 Å²	101	59.1 Å²	59.1	47%	0.472	36%	0.357	S	S	.	.	H	α-helix	trans	-64.1	-38.4	176.5	-69.7	175.6	-168.3	0	0	112.6	Q704 K706 G711 R712	Q704-E708 PolarHBondContact O-N 3.04Å; Q704-E708 VanDerWaalsContact O-N 3.08Å; K706-E708 VanDerWaalsContact C-N 3.31Å; K706-E708 PolarHBondContact O-N 3.44Å; E708-G711 PolarHBondContact O-N 3.02Å; E708-R712 WeakPolarHBondContact O-CG 3.3Å; E708-R712 PolarHBondContact O-N 3.41Å
709	E	85.1	Confident	81	Confident	52 Å²	52	58.6 Å²	58.6	24%	0.243	36%	0.357	C	S	.	.	H	α-helix	trans	-66.8	-42.9	177.7	-166.3	177.5	179.2	0	0	112.4	A705 K706 V707 G711 R712 L713 Q731	A705-E709 WeakPolarHBondContact O-CB 3.41Å; A705-E709 PolarHBondContact O-N 2.95Å; K706-E709 WeakPolarHBondContact CD-OE2 3.29Å; K706-E709 IonicContact NZ-OE1 2.77Å; K706-E709 IonicContact NZ-OE2 2.99Å; K706-E709 PolarHBondContact NZ-OE2 3.22Å; K706-E709 PolarHBondContact O-N 2.91Å; V707-E709 PolarHBondContact O-N 3.08Å; E709-G711 VanDerWaalsContact C-N 3.33Å; E709-R712 PolarHBondContact O-N 3.28Å; E709-L713 PolarHBondContact O-N 3.06Å; E709-L713 VanDerWaalsContact O-N 3.12Å; E709-Q731 PolarHBondContact OE1-NE2 3.3Å
710	V	85.3	Confident	79.9	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.006	37%	0.369	C	S	.	.	H	α-helix	trans	-60.8	-43.6	172.9	171.9	0	0	0	0	110.5	K706 V707 R712 L713 A714 L728 L777 I781 T784	K706-V710 WeakPolarHBondContact O-CG2 3.43Å; K706-V710 PolarHBondContact O-N 3.02Å; V707-V710 PolarHBondContact O-N 3.41Å; V710-R712 VanDerWaalsContact C-N 3.34Å; V710-R712 PolarHBondContact O-N 3.45Å; V710-L713 PolarHBondContact O-N 3.28Å; V710-A714 PolarHBondContact O-N 3.4Å; V710-A714 VanDerWaalsContact O-N 3.09Å; V710-L728 HydrophobicContact CG1-CD2 4.3Å; V710-L777 HydrophobicContact CG2-CD1 4.21Å; V710-I781 HydrophobicContact CG1-CB 4.17Å; V710-I781 HydrophobicContact CG1-CG1 4.32Å; V710-I781 HydrophobicContact CG2-CB 4.12Å; V710-I781 HydrophobicContact CG2-CD1 3.82Å; V710-I781 HydrophobicContact CG2-CG1 4.07Å; V710-T784 WeakPolarHBondContact CG1-OG1 3.45Å
711	G	81.6	Confident	79	Confident	41 Å²	41	60.6 Å²	60.6	42%	0.423	37%	0.369	S	S	.	.	H	α-helix	trans	-60	-39.8	175.4	0	0	0	0	0	113.5	V707 E708 E709 A714 A715	V707-G711 PolarHBondContact O-N 2.83Å; E708-G711 PolarHBondContact O-N 3.02Å; E709-G711 VanDerWaalsContact C-N 3.33Å; G711-A714 PolarHBondContact O-N 3.46Å; G711-A715 PolarHBondContact O-N 3.46Å
712	R	81.1	Confident	78.3	Confident	155 Å²	155	61.8 Å²	61.8	59%	0.585	37%	0.369	S	S	*	.	H	α-helix	trans	-65.6	-40.1	176	-75.2	-169.8	-61.1	-97.7	-0.2	112.9	E708 E709 V710 A714 A715	E708-R712 WeakPolarHBondContact O-CG 3.3Å; E708-R712 PolarHBondContact O-N 3.41Å; E709-R712 PolarHBondContact O-N 3.28Å; V710-R712 VanDerWaalsContact C-N 3.34Å; V710-R712 PolarHBondContact O-N 3.45Å; R712-A714 VanDerWaalsContact C-N 3.32Å; R712-A715 PolarHBondContact O-N 2.87Å
713	L	78.9	Confident	77.6	Confident	51 Å²	51	65.1 Å²	65.1	27%	0.267	39%	0.387	S	S	.	.	H	α-helix	trans	-66.4	-36.1	177.7	-71.7	171.3	0	0	0	111.8	E709 V710 L728 Q731	E709-L713 PolarHBondContact O-N 3.06Å; E709-L713 VanDerWaalsContact O-N 3.12Å; V710-L713 PolarHBondContact O-N 3.28Å; L713-L728 HydrophobicContact CB-CD2 3.78Å; L713-L728 HydrophobicContact CB-CG 4.19Å; L713-L728 HydrophobicContact CD1-CD2 3.98Å; L713-L728 HydrophobicContact CD1-CG 4.4Å; L713-Q731 HydrophobicContact CD1-CG 3.79Å
714	A	71.7	Confident	76.9	Confident	41 Å²	41	65.8 Å²	65.8	34%	0.339	39%	0.39	S	S	.	.	H	α-helix	trans	-67.4	-32.2	177.3	0	0	0	0	0	114	V710 G711 R712 G716 T784	V710-A714 PolarHBondContact O-N 3.4Å; V710-A714 VanDerWaalsContact O-N 3.09Å; G711-A714 PolarHBondContact O-N 3.46Å; R712-A714 VanDerWaalsContact C-N 3.32Å; A714-G716 PolarHBondContact O-N 3.01Å; A714-T784 HydrophobicContact CB-CG2 3.49Å; A714-T784 VanDerWaalsContact CB-CG2 3.49Å
715	A	68.9	Low	76.5	Confident	66 Å²	66	61.7 Å²	61.7	55%	0.545	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-7	-178	0	0	0	0	0	114.5	G711 R712 L717	G711-A715 PolarHBondContact O-N 3.46Å; R712-A715 PolarHBondContact O-N 2.87Å; A715-L717 VanDerWaalsContact C-N 3.33Å; A715-L717 HydrophobicContact CB-CD1 4.39Å; A715-L717 PolarHBondContact O-N 3.23Å
716	G	63.8	Low	76.2	Confident	34 Å²	34	62.4 Å²	62.4	35%	0.351	38%	0.377	S	S	.	.			trans	61.3	29	164.2	0	0	0	0	0	117.3	A714 A718	A714-G716 PolarHBondContact O-N 3.01Å; G716-A718 VanDerWaalsContact C-N 3.3Å; G716-A718 PolarHBondContact O-N 3.08Å
717	L	57.8	Low	75.9	Confident	162 Å²	162	61.7 Å²	61.7	85%	0.848	38%	0.379	S	S	*	.			trans	-75.1	-8.2	-173.8	-84.1	152.5	0	0	0	115.4	A715	A715-L717 VanDerWaalsContact C-N 3.33Å; A715-L717 HydrophobicContact CB-CD1 4.39Å; A715-L717 PolarHBondContact O-N 3.23Å
718	A	53	Low	75.8	Confident	95 Å²	95	59 Å²	59	79%	0.785	36%	0.362	S	S	*	.	S	Bend	trans	-165.4	117.2	171.6	0	0	0	0	0	111.5	G716	G716-A718 VanDerWaalsContact C-N 3.3Å; G716-A718 PolarHBondContact O-N 3.08Å
719	G	63.8	Low	75.8	Confident	46 Å²	46	59 Å²	59	47%	0.474	36%	0.358	S	S	.	.	S	Bend	trans	132.4	160.9	168.5	0	0	0	0	0	114.4	E723	G719-E723 WeakPolarHBondContact CA-OE2 3.49Å
720	S	71.7	Confident	76	Confident	39 Å²	39	62.5 Å²	62.5	27%	0.273	37%	0.374	S	S	.	.			trans	-64.8	158.6	171.4	60	0	0	0	0	111.5	E722 E723 Q724	S720-E722 WeakPolarHBondContact CB-OE2 3.39Å; S720-E722 PolarHBondContact O-N 3.12Å; S720-E723 PolarHBondContact N-OE2 2.82Å; S720-E723 PolarHBondContact O-N 2.93Å; S720-E723 VanDerWaalsContact O-N 3.09Å; S720-E723 VanDerWaalsContact OG-CG 3.3Å; S720-E723 WeakPolarHBondContact OG-CG 2.92Å; S720-E723 PolarHBondContact OG-N 3.18Å; S720-E723 PolarHBondContact OG-OE2 2.56Å; S720-Q724 PolarHBondContact O-N 3.07Å
721	L	72.5	Confident	76.1	Confident	15 Å²	15	63.2 Å²	63.2	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-59.4	-31.3	175.9	-69.9	172	0	0	0	110.9	M725 V788 Q791 V792	L721-M725 VanDerWaalsContact O-CB 3.32Å; L721-M725 WeakPolarHBondContact O-CB 3.41Å; L721-M725 PolarHBondContact O-N 2.94Å; L721-V788 HydrophobicContact CD2-CG1 4.45Å; L721-Q791 HydrophobicContact CD1-CB 4.24Å; L721-Q791 HydrophobicContact CD2-CB 4.4Å; L721-V792 HydrophobicContact CB-CG2 3.79Å; L721-V792 HydrophobicContact CD1-CG2 4.18Å
722	E	79.6	Confident	76.5	Confident	85 Å²	85	63.8 Å²	63.8	40%	0.397	37%	0.369	S	S	.	.	H	α-helix	trans	-65.8	-40.7	174.9	-64.7	78.7	-175.2	0	0	112.6	S720 M725 A726 R795	S720-E722 WeakPolarHBondContact CB-OE2 3.39Å; S720-E722 PolarHBondContact O-N 3.12Å; E722-M725 PolarHBondContact O-N 2.99Å; E722-A726 WeakPolarHBondContact O-CB 3.19Å; E722-A726 PolarHBondContact O-N 3.27Å; E722-R795 IonicContact OE1-CZ 3.63Å; E722-R795 IonicContact OE1-NH1 2.87Å; E722-R795 PolarHBondContact OE1-NH1 3.03Å; E722-R795 IonicContact OE1-NH2 3.94Å; E722-R795 PolarHBondContact OE1-NH2 3.46Å; E722-R795 IonicContact OE2-NH1 3.85Å
723	E	78.8	Confident	76.9	Confident	125 Å²	125	61 Å²	61	58%	0.584	36%	0.363	S	S	*	.	H	α-helix	trans	-70.1	-40.9	176.6	-76.3	167	154.2	0	0	112.3	G719 S720 M725 A726 G727	G719-E723 WeakPolarHBondContact CA-OE2 3.49Å; S720-E723 PolarHBondContact N-OE2 2.82Å; S720-E723 PolarHBondContact O-N 2.93Å; S720-E723 VanDerWaalsContact O-N 3.09Å; S720-E723 VanDerWaalsContact OG-CG 3.3Å; S720-E723 WeakPolarHBondContact OG-CG 2.92Å; S720-E723 PolarHBondContact OG-N 3.18Å; S720-E723 PolarHBondContact OG-OE2 2.56Å; E723-M725 VanDerWaalsContact C-N 3.27Å; E723-M725 PolarHBondContact O-N 3.35Å; E723-A726 PolarHBondContact O-N 2.63Å; E723-G727 PolarHBondContact O-N 3.25Å
724	Q	78	Confident	77.5	Confident	23 Å²	23	61.4 Å²	61.4	11%	0.107	37%	0.365	C	S	.	.	H	α-helix	trans	-61	-41.6	173.6	-69.7	175.1	8.7	0	0	110.7	S720 G727 L728	S720-Q724 PolarHBondContact O-N 3.07Å; Q724-G727 PolarHBondContact O-N 3.31Å; Q724-L728 WeakPolarHBondContact O-CG 3.31Å; Q724-L728 PolarHBondContact O-N 3.08Å
725	M	80.3	Confident	78.4	Confident	28 Å²	28	59.5 Å²	59.5	14%	0.138	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-45.4	178.6	-174.8	79	-59.6	0	0	112.6	L721 E722 E723 G727 L728 R729 I785 V788 E789	L721-M725 VanDerWaalsContact O-CB 3.32Å; L721-M725 WeakPolarHBondContact O-CB 3.41Å; L721-M725 PolarHBondContact O-N 2.94Å; E722-M725 PolarHBondContact O-N 2.99Å; E723-M725 VanDerWaalsContact C-N 3.27Å; E723-M725 PolarHBondContact O-N 3.35Å; M725-G727 VanDerWaalsContact C-N 3.31Å; M725-G727 PolarHBondContact O-N 3.03Å; M725-L728 HydrophobicContact CE-CB 3.98Å; M725-L728 HydrophobicContact CE-CD1 4.02Å; M725-L728 PolarHBondContact O-N 3.37Å; M725-R729 WeakPolarHBondContact O-CB 3.15Å; M725-R729 VanDerWaalsContact O-CG 3.3Å; M725-R729 WeakPolarHBondContact O-CG 3.42Å; M725-R729 PolarHBondContact O-N 3.48Å; M725-I785 HydrophobicContact CE-CB 3.87Å; M725-I785 HydrophobicContact CE-CG1 3.71Å; M725-I785 HydrophobicContact CE-CG2 3.77Å; M725-I785 HydrophobicContact SD-CG2 4.27Å; M725-V788 HydrophobicContact CB-CG1 4.18Å; M725-V788 HydrophobicContact CE-CB 4.29Å; M725-V788 HydrophobicContact CE-CG1 4.39Å; M725-V788 HydrophobicContact SD-CG1 4.43Å; M725-E789 HydrophobicContact SD-CG 3.47Å; M725-E789 WeakPolarHBondContact SD-CG 3.19Å
726	A	83.3	Confident	79.4	Confident	64 Å²	64	60.6 Å²	60.6	53%	0.529	35%	0.345	S	S	.	.	H	α-helix	trans	-60.1	-41.3	175	0	0	0	0	0	111.9	E722 E723 R729 Q730	E722-A726 WeakPolarHBondContact O-CB 3.19Å; E722-A726 PolarHBondContact O-N 3.27Å; E723-A726 PolarHBondContact O-N 2.63Å; A726-R729 PolarHBondContact O-N 3.08Å; A726-Q730 WeakPolarHBondContact O-CB 3.42Å; A726-Q730 PolarHBondContact O-N 2.87Å
727	G	84.3	Confident	80.8	Confident	16 Å²	16	63.6 Å²	63.6	17%	0.165	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-45.2	176.4	0	0	0	0	0	113.1	E723 Q724 M725 Q730 Q731	E723-G727 PolarHBondContact O-N 3.25Å; Q724-G727 PolarHBondContact O-N 3.31Å; M725-G727 VanDerWaalsContact C-N 3.31Å; M725-G727 PolarHBondContact O-N 3.03Å; G727-Q730 PolarHBondContact O-N 3.37Å; G727-Q731 WeakPolarHBondContact O-CG 3.44Å; G727-Q731 PolarHBondContact O-N 2.95Å
728	L	85.6	Confident	82.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-65.8	-41.5	176.5	-72.5	170	0	0	0	112	V710 L713 Q724 M725 Q730 Q731 E732 I781 I785 V788	V710-L728 HydrophobicContact CG1-CD2 4.3Å; L713-L728 HydrophobicContact CB-CD2 3.78Å; L713-L728 HydrophobicContact CB-CG 4.19Å; L713-L728 HydrophobicContact CD1-CD2 3.98Å; L713-L728 HydrophobicContact CD1-CG 4.4Å; Q724-L728 WeakPolarHBondContact O-CG 3.31Å; Q724-L728 PolarHBondContact O-N 3.08Å; M725-L728 HydrophobicContact CE-CB 3.98Å; M725-L728 HydrophobicContact CE-CD1 4.02Å; M725-L728 PolarHBondContact O-N 3.37Å; L728-Q730 VanDerWaalsContact C-N 3.3Å; L728-Q730 PolarHBondContact O-N 3.48Å; L728-Q731 PolarHBondContact O-N 3.1Å; L728-E732 WeakPolarHBondContact O-CB 3.21Å; L728-E732 PolarHBondContact O-N 3.35Å; L728-I781 HydrophobicContact CD2-CG1 4.49Å; L728-I785 HydrophobicContact CB-CD1 4.38Å; L728-I785 HydrophobicContact CB-CG1 3.72Å; L728-I785 HydrophobicContact CD1-CG1 4.33Å; L728-V788 HydrophobicContact CD1-CG2 4.05Å
729	R	87.1	Confident	84.3	Confident	100 Å²	100	57.6 Å²	57.6	38%	0.377	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-35.4	174.6	-69.4	-64.2	-175.1	-178.7	0.9	112.4	M725 A726 E732 Q733 E789	M725-R729 WeakPolarHBondContact O-CB 3.15Å; M725-R729 VanDerWaalsContact O-CG 3.3Å; M725-R729 WeakPolarHBondContact O-CG 3.42Å; M725-R729 PolarHBondContact O-N 3.48Å; A726-R729 PolarHBondContact O-N 3.08Å; R729-E732 WeakPolarHBondContact CD-OE2 3.46Å; R729-E732 IonicContact CZ-OE2 3.04Å; R729-E732 IonicContact NE-OE2 3.35Å; R729-E732 IonicContact NH1-OE1 2.75Å; R729-E732 IonicContact NH1-OE2 3.8Å; R729-E732 PolarHBondContact NH1-OE2 3.17Å; R729-E732 PolarHBondContact O-N 3.33Å; R729-Q733 PolarHBondContact O-N 3.15Å; R729-Q733 VanDerWaalsContact O-N 3.09Å; R729-E789 IonicContact CZ-OE1 2.81Å; R729-E789 IonicContact NE-OE1 3.37Å; R729-E789 IonicContact NH2-OE1 3.55Å; R729-E789 PolarHBondContact NH2-OE1 3.02Å
730	Q	88.9	Confident	85.7	Confident	126 Å²	126	59.9 Å²	59.9	59%	0.589	31%	0.306	S	S	*	.	H	α-helix	trans	-66.2	-42.3	173.6	-173.7	176.2	20.6	0	0	112	A726 G727 L728 E732 Q733 N734	A726-Q730 WeakPolarHBondContact O-CB 3.42Å; A726-Q730 PolarHBondContact O-N 2.87Å; G727-Q730 PolarHBondContact O-N 3.37Å; L728-Q730 VanDerWaalsContact C-N 3.3Å; L728-Q730 PolarHBondContact O-N 3.48Å; Q730-E732 VanDerWaalsContact C-N 3.35Å; Q730-Q733 PolarHBondContact O-N 3.39Å; Q730-N734 VanDerWaalsContact O-CG 3.31Å; Q730-N734 PolarHBondContact O-N 2.91Å; Q730-N734 PolarHBondContact O-ND2 3.5Å
731	Q	88.4	Confident	86.6	Confident	16 Å²	16	60.8 Å²	60.8	8%	0.075	31%	0.308	C	S	.	.	H	α-helix	trans	-67.8	-35.3	175.9	-63.9	-56.9	-25.9	0	0	112.2	E709 L713 G727 L728 Q733 N734 I735 I781	E709-Q731 PolarHBondContact OE1-NE2 3.3Å; L713-Q731 HydrophobicContact CD1-CG 3.79Å; G727-Q731 WeakPolarHBondContact O-CG 3.44Å; G727-Q731 PolarHBondContact O-N 2.95Å; L728-Q731 PolarHBondContact O-N 3.1Å; Q731-Q733 PolarHBondContact O-N 3.2Å; Q731-N734 WeakPolarHBondContact O-CB 3.4Å; Q731-N734 PolarHBondContact O-N 2.91Å; Q731-N734 PolarHBondContact OE1-ND2 3.13Å; Q731-I735 VanDerWaalsContact O-CG1 3.29Å; Q731-I735 WeakPolarHBondContact O-CG1 3.44Å; Q731-I735 PolarHBondContact O-N 3.27Å; Q731-I781 HydrophobicContact CB-CD1 3.78Å
732	E	89.2	Confident	87.6	Confident	52 Å²	52	60.5 Å²	60.5	24%	0.243	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-47.3	172.5	-177.9	-179.4	-143.3	0	0	111	L728 R729 Q730 N734 I735 I736 I781 I785	L728-E732 WeakPolarHBondContact O-CB 3.21Å; L728-E732 PolarHBondContact O-N 3.35Å; R729-E732 WeakPolarHBondContact CD-OE2 3.46Å; R729-E732 IonicContact CZ-OE2 3.04Å; R729-E732 IonicContact NE-OE2 3.35Å; R729-E732 IonicContact NH1-OE1 2.75Å; R729-E732 IonicContact NH1-OE2 3.8Å; R729-E732 PolarHBondContact NH1-OE2 3.17Å; R729-E732 PolarHBondContact O-N 3.33Å; Q730-E732 VanDerWaalsContact C-N 3.35Å; E732-N734 VanDerWaalsContact C-N 3.33Å; E732-N734 PolarHBondContact O-N 3.33Å; E732-I735 PolarHBondContact O-N 3.4Å; E732-I736 HydrophobicContact CG-CD1 4.05Å; E732-I736 VanDerWaalsContact O-CG1 3.31Å; E732-I736 WeakPolarHBondContact O-CG1 3.44Å; E732-I736 PolarHBondContact O-N 2.71Å; E732-I781 HydrophobicContact CB-CD1 3.93Å; E732-I781 VanDerWaalsContact N-CD1 3.29Å; E732-I785 HydrophobicContact CB-CD1 4.14Å; E732-I785 HydrophobicContact CG-CD1 4.4Å
733	Q	89.6	Confident	88.2	Confident	96 Å²	96	60.2 Å²	60.2	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-38.8	175.8	-169.6	61.8	49.2	0	0	112.4	R729 Q730 Q731 I735 I736 N737	R729-Q733 PolarHBondContact O-N 3.15Å; R729-Q733 VanDerWaalsContact O-N 3.09Å; Q730-Q733 PolarHBondContact O-N 3.39Å; Q731-Q733 PolarHBondContact O-N 3.2Å; Q733-I735 VanDerWaalsContact C-N 3.32Å; Q733-I735 PolarHBondContact O-N 3.16Å; Q733-I736 PolarHBondContact O-N 3.26Å; Q733-N737 PolarHBondContact NE2-OD1 3.36Å; Q733-N737 WeakPolarHBondContact O-CB 3.43Å; Q733-N737 PolarHBondContact O-N 3.24Å; Q733-N737 PolarHBondContact O-ND2 3.28Å; Q733-N737 PolarHBondContact O-OD1 2.95Å
734	N	91.1	Very high	88.9	Confident	60 Å²	60	62 Å²	62	32%	0.321	31%	0.309	S	S	.	.	H	α-helix	trans	-62.3	-40.2	175.4	-71.8	-25.3	0	0	0	111.8	Q730 Q731 E732 Y738	Q730-N734 VanDerWaalsContact O-CG 3.31Å; Q730-N734 PolarHBondContact O-N 2.91Å; Q730-N734 PolarHBondContact O-ND2 3.5Å; Q731-N734 WeakPolarHBondContact O-CB 3.4Å; Q731-N734 PolarHBondContact O-N 2.91Å; Q731-N734 PolarHBondContact OE1-ND2 3.13Å; E732-N734 VanDerWaalsContact C-N 3.33Å; E732-N734 PolarHBondContact O-N 3.33Å; N734-Y738 PolarHBondContact O-N 3.12Å
735	I	91	Very high	89.6	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-67.1	-45.9	176.5	-66.6	161.4	0	0	0	110.5	W702 Q731 E732 Q733 N737 Y738 K739 W774 L777 L778 I781	W702-I735 HydrophobicContact CH2-CG1 4.16Å; Q731-I735 VanDerWaalsContact O-CG1 3.29Å; Q731-I735 WeakPolarHBondContact O-CG1 3.44Å; Q731-I735 PolarHBondContact O-N 3.27Å; E732-I735 PolarHBondContact O-N 3.4Å; Q733-I735 VanDerWaalsContact C-N 3.32Å; Q733-I735 PolarHBondContact O-N 3.16Å; I735-N737 VanDerWaalsContact C-N 3.31Å; I735-N737 PolarHBondContact O-N 3.06Å; I735-Y738 PolarHBondContact O-N 2.95Å; I735-Y738 VanDerWaalsContact O-N 3.1Å; I735-K739 PolarHBondContact O-N 3.4Å; I735-W774 HydrophobicContact CG2-CH2 3.74Å; I735-W774 HydrophobicContact CG2-CZ2 3.84Å; I735-W774 HydrophobicContact CG2-CZ3 4.36Å; I735-W774 WeakPolarHBondContact O-CH2 3.42Å; I735-L777 HydrophobicContact CD1-CD1 3.9Å; I735-L777 HydrophobicContact CD1-CD2 4.07Å; I735-L777 HydrophobicContact CD1-CG 3.86Å; I735-L777 HydrophobicContact CG1-CD2 4.13Å; I735-L777 HydrophobicContact CG1-CG 4.44Å; I735-L777 HydrophobicContact CG2-CD2 4.46Å; I735-L778 HydrophobicContact CG2-CD2 3.69Å; I735-I781 HydrophobicContact CD1-CB 4.46Å; I735-I781 HydrophobicContact CD1-CD1 3.64Å; I735-I781 HydrophobicContact CD1-CG2 4.2Å
736	I	90.3	Very high	90.3	Very high	90 Å²	90	62.4 Å²	62.4	46%	0.462	31%	0.311	S	S	.	.	H	α-helix	trans	-57.6	-45.3	176.7	-68.5	165.7	0	0	0	110.9	E732 Q733 Y738 K739	E732-I736 HydrophobicContact CG-CD1 4.05Å; E732-I736 VanDerWaalsContact O-CG1 3.31Å; E732-I736 WeakPolarHBondContact O-CG1 3.44Å; E732-I736 PolarHBondContact O-N 2.71Å; Q733-I736 PolarHBondContact O-N 3.26Å; I736-Y738 PolarHBondContact O-N 3.39Å; I736-K739 WeakPolarHBondContact O-CB 3.29Å; I736-K739 PolarHBondContact O-N 3.04Å
737	N	92.3	Very high	90.7	Very high	96 Å²	96	60.9 Å²	60.9	51%	0.513	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-31.8	179.6	-69.7	-13.9	0	0	0	112.5	Q733 I735 K739 T740	Q733-N737 PolarHBondContact NE2-OD1 3.36Å; Q733-N737 WeakPolarHBondContact O-CB 3.43Å; Q733-N737 PolarHBondContact O-N 3.24Å; Q733-N737 PolarHBondContact O-ND2 3.28Å; Q733-N737 PolarHBondContact O-OD1 2.95Å; I735-N737 VanDerWaalsContact C-N 3.31Å; I735-N737 PolarHBondContact O-N 3.06Å; N737-K739 VanDerWaalsContact C-N 3.29Å; N737-K739 PolarHBondContact O-N 3.43Å; N737-T740 PolarHBondContact O-OG1 2.87Å
738	Y	92.9	Very high	91.2	Very high	50 Å²	50	61.1 Å²	61.1	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-78.5	-10.7	-179.8	-153.8	-96.7	0	0	0	113.7	I699 W702 N734 I735 I736 T740 N741 W774	I699-Y738 HydrophobicContact CG1-CE1 4.19Å; W702-Y738 AromaticContact CD1-CE2 4Å; W702-Y738 AromaticContact CD1-CZ 3.91Å; W702-Y738 AromaticContact CD2-CD1 3.83Å; W702-Y738 HydrophobicContact CD2-CD1 3.83Å; W702-Y738 HydrophobicContact CD2-CD2 4.34Å; W702-Y738 AromaticContact CD2-CE1 3.61Å; W702-Y738 HydrophobicContact CD2-CE1 3.61Å; W702-Y738 HydrophobicContact CD2-CE2 4.16Å; W702-Y738 HydrophobicContact CD2-CG 4.17Å; W702-Y738 AromaticContact CD2-CZ 3.79Å; W702-Y738 AromaticContact CE2-CD1 3.88Å; W702-Y738 AromaticContact CE2-CD2 3.67Å; W702-Y738 AromaticContact CE2-CE1 3.97Å; W702-Y738 AromaticContact CE2-CE2 3.78Å; W702-Y738 AromaticContact CE2-CG 3.72Å; W702-Y738 AromaticContact CE2-CZ 3.91Å; W702-Y738 AromaticContact CE3-CD1 3.69Å; W702-Y738 HydrophobicContact CE3-CD1 3.69Å; W702-Y738 AromaticContact CE3-CE1 3.73Å; W702-Y738 HydrophobicContact CE3-CE1 3.73Å; W702-Y738 HydrophobicContact CE3-CG 4.3Å; W702-Y738 HydrophobicContact CG-CE1 4.02Å; W702-Y738 HydrophobicContact CG-CE2 4.3Å; W702-Y738 AromaticContact CG-CZ 3.81Å; W702-Y738 AromaticContact CH2-CD1 3.75Å; W702-Y738 HydrophobicContact CH2-CD1 3.75Å; W702-Y738 HydrophobicContact CH2-CD2 4.33Å; W702-Y738 AromaticContact CH2-CG 3.62Å; W702-Y738 HydrophobicContact CH2-CG 3.62Å; W702-Y738 AromaticContact CZ2-CD1 3.84Å; W702-Y738 HydrophobicContact CZ2-CD1 3.84Å; W702-Y738 AromaticContact CZ2-CD2 3.65Å; W702-Y738 HydrophobicContact CZ2-CD2 3.65Å; W702-Y738 HydrophobicContact CZ2-CE1 4.4Å; W702-Y738 HydrophobicContact CZ2-CE2 4.25Å; W702-Y738 AromaticContact CZ2-CG 3.41Å; W702-Y738 HydrophobicContact CZ2-CG 3.41Å; W702-Y738 VanDerWaalsContact CZ2-CG 3.41Å; W702-Y738 AromaticContact CZ3-CD1 3.71Å; W702-Y738 HydrophobicContact CZ3-CD1 3.71Å; W702-Y738 HydrophobicContact CZ3-CE1 4.24Å; W702-Y738 HydrophobicContact CZ3-CG 4.09Å; W702-Y738 AromaticContact NE1-CD2 3.88Å; W702-Y738 AromaticContact NE1-CE2 3.64Å; W702-Y738 AromaticContact NE1-CZ 3.94Å; N734-Y738 PolarHBondContact O-N 3.12Å; I735-Y738 PolarHBondContact O-N 2.95Å; I735-Y738 VanDerWaalsContact O-N 3.1Å; I736-Y738 PolarHBondContact O-N 3.39Å; Y738-T740 PolarHBondContact O-N 3.21Å; Y738-T740 VanDerWaalsContact O-N 3.15Å; Y738-N741 HydrophobicContact CD1-CB 4.19Å; Y738-N741 VanDerWaalsContact CD2-ND2 3.34Å; Y738-N741 WeakPolarHBondContact CD2-ND2 3.41Å; Y738-N741 HydrophobicContact CE1-CB 4.02Å; Y738-N741 VanDerWaalsContact CE2-ND2 3.26Å; Y738-N741 WeakPolarHBondContact CE2-ND2 3.24Å; Y738-N741 WeakPolarHBondContact O-CB 3.25Å; Y738-N741 PolarHBondContact O-N 3.45Å; Y738-W774 HydrophobicContact CD1-CH2 4.41Å; Y738-W774 HydrophobicContact CD1-CZ3 4.05Å
739	K	91.3	Very high	91.5	Very high	81 Å²	81	63 Å²	63	35%	0.352	31%	0.307	S	S	.	.	H	α-helix	trans	-52.9	-36.7	179.8	-179.9	57.7	169.7	64.8	0	113.5	I735 I736 N737 N741 I742 D743 W774	I735-K739 PolarHBondContact O-N 3.4Å; I736-K739 WeakPolarHBondContact O-CB 3.29Å; I736-K739 PolarHBondContact O-N 3.04Å; N737-K739 VanDerWaalsContact C-N 3.29Å; N737-K739 PolarHBondContact O-N 3.43Å; K739-N741 PolarHBondContact O-N 3.39Å; K739-I742 WeakPolarHBondContact O-CB 3.35Å; K739-I742 PolarHBondContact O-N 2.91Å; K739-D743 IonicContact NZ-OD1 2.77Å; K739-D743 PolarHBondContact NZ-OD1 3.17Å; K739-D743 IonicContact NZ-OD2 3.72Å; K739-D743 PolarHBondContact NZ-OD2 3.22Å; K739-D743 PolarHBondContact O-N 3.41Å; K739-W774 HydrophobicContact CB-CZ2 4.12Å; K739-W774 HydrophobicContact CD-CZ2 4.01Å
740	T	93	Very high	91.8	Very high	94 Å²	94	63.2 Å²	63.2	58%	0.577	31%	0.313	S	S	*	.	H	α-helix	trans	-59.2	-31	178.6	53.4	0	0	0	0	113.3	N737 Y738 R744	N737-T740 PolarHBondContact O-OG1 2.87Å; Y738-T740 PolarHBondContact O-N 3.21Å; Y738-T740 VanDerWaalsContact O-N 3.15Å; T740-R744 PolarHBondContact O-N 3.2Å; T740-R744 VanDerWaalsContact O-N 3.08Å
741	N	92.3	Very high	92.1	Very high	58 Å²	58	61 Å²	61	31%	0.31	31%	0.305	S	S	.	.	H	α-helix	trans	-73.1	-33.1	176.1	-64.1	-41.9	0	0	0	112	I699 Y738 K739 L745	I699-N741 HydrophobicContact CD1-CB 4.48Å; Y738-N741 HydrophobicContact CD1-CB 4.19Å; Y738-N741 VanDerWaalsContact CD2-ND2 3.34Å; Y738-N741 WeakPolarHBondContact CD2-ND2 3.41Å; Y738-N741 HydrophobicContact CE1-CB 4.02Å; Y738-N741 VanDerWaalsContact CE2-ND2 3.26Å; Y738-N741 WeakPolarHBondContact CE2-ND2 3.24Å; Y738-N741 WeakPolarHBondContact O-CB 3.25Å; Y738-N741 PolarHBondContact O-N 3.45Å; K739-N741 PolarHBondContact O-N 3.39Å; N741-L745 PolarHBondContact O-N 3.01Å; N741-L745 VanDerWaalsContact O-N 3.12Å
742	I	92.5	Very high	92.2	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-67.3	-43.2	173.8	-53.7	-60.2	0	0	0	110.3	I699 I703 K739 R744 L745 E746 I770 W774	I699-I742 HydrophobicContact CD1-CD1 4.32Å; I699-I742 HydrophobicContact CG1-CD1 4.48Å; I699-I742 HydrophobicContact CG2-CD1 3.33Å; I703-I742 HydrophobicContact CD1-CD1 4.43Å; K739-I742 WeakPolarHBondContact O-CB 3.35Å; K739-I742 PolarHBondContact O-N 2.91Å; I742-R744 VanDerWaalsContact C-N 3.29Å; I742-R744 PolarHBondContact O-N 3.09Å; I742-L745 PolarHBondContact O-N 3.4Å; I742-E746 PolarHBondContact O-N 3.2Å; I742-I770 HydrophobicContact CD1-CG2 4.19Å; I742-W774 HydrophobicContact CD1-CD2 4.06Å; I742-W774 HydrophobicContact CD1-CE3 3.59Å; I742-W774 HydrophobicContact CD1-CZ3 3.88Å; I742-W774 HydrophobicContact CG1-CD2 3.71Å; I742-W774 HydrophobicContact CG1-CE3 3.58Å; I742-W774 HydrophobicContact CG1-CG 4.36Å; I742-W774 HydrophobicContact CG1-CH2 3.95Å; I742-W774 HydrophobicContact CG1-CZ2 4.11Å; I742-W774 HydrophobicContact CG1-CZ3 3.67Å
743	D	92.3	Very high	92.3	Very high	79 Å²	79	62.4 Å²	62.4	42%	0.422	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-35.7	178	-68.8	-32.7	0	0	0	112.4	K739 E746 G747	K739-D743 IonicContact NZ-OD1 2.77Å; K739-D743 PolarHBondContact NZ-OD1 3.17Å; K739-D743 IonicContact NZ-OD2 3.72Å; K739-D743 PolarHBondContact NZ-OD2 3.22Å; K739-D743 PolarHBondContact O-N 3.41Å; D743-E746 WeakPolarHBondContact O-CB 3.31Å; D743-E746 PolarHBondContact O-N 3.5Å; D743-G747 PolarHBondContact O-N 3.35Å
744	R	92.7	Very high	92.4	Very high	162 Å²	162	63.9 Å²	63.9	61%	0.611	32%	0.318	S	S	*	.	H	α-helix	trans	-65.4	-42.8	173.2	-170.1	-178.8	176.4	165.8	0.3	112	T740 I742 E746 G747 D748	T740-R744 PolarHBondContact O-N 3.2Å; T740-R744 VanDerWaalsContact O-N 3.08Å; I742-R744 VanDerWaalsContact C-N 3.29Å; I742-R744 PolarHBondContact O-N 3.09Å; R744-E746 VanDerWaalsContact C-N 3.31Å; R744-E746 PolarHBondContact O-N 3.43Å; R744-G747 PolarHBondContact O-N 2.88Å; R744-D748 PolarHBondContact O-N 3.27Å
745	L	94.2	Very high	92.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.9	-38	176.2	-178.1	69.8	0	0	0	111.8	F692 Q695 A696 I699 N741 I742 G747 D748 H749 M767 I770	F692-L745 HydrophobicContact CD2-CD1 3.49Å; F692-L745 VanDerWaalsContact CD2-CD1 3.49Å; F692-L745 HydrophobicContact CD2-CG 4.19Å; F692-L745 HydrophobicContact CE2-CD1 3.54Å; F692-L745 HydrophobicContact CE2-CD2 4.43Å; F692-L745 HydrophobicContact CE2-CG 3.82Å; F692-L745 HydrophobicContact CG-CD1 4.08Å; F692-L745 HydrophobicContact CZ-CD1 4.19Å; F692-L745 WeakPolarHBondContact O-CD1 3.42Å; Q695-L745 HydrophobicContact CB-CD1 3.63Å; A696-L745 HydrophobicContact CB-CD1 4.03Å; A696-L745 HydrophobicContact CB-CD2 4.23Å; I699-L745 HydrophobicContact CD1-CB 3.83Å; I699-L745 HydrophobicContact CD1-CD2 3.81Å; I699-L745 HydrophobicContact CD1-CG 4.31Å; N741-L745 PolarHBondContact O-N 3.01Å; N741-L745 VanDerWaalsContact O-N 3.12Å; I742-L745 PolarHBondContact O-N 3.4Å; L745-G747 VanDerWaalsContact C-N 3.34Å; L745-D748 PolarHBondContact O-N 2.93Å; L745-H749 PolarHBondContact O-N 3.17Å; L745-M767 HydrophobicContact CD2-CE 4.28Å; L745-M767 HydrophobicContact CD2-SD 3.74Å; L745-M767 HydrophobicContact CG-CE 4.38Å; L745-M767 HydrophobicContact CG-SD 3.8Å; L745-I770 HydrophobicContact CD2-CB 4.28Å; L745-I770 HydrophobicContact CD2-CG1 4.03Å; L745-I770 HydrophobicContact CD2-CG2 3.91Å
746	E	93.5	Very high	92.4	Very high	59 Å²	59	68.8 Å²	68.8	28%	0.276	35%	0.346	S	S	.	.	H	α-helix	trans	-61.3	-41.9	174.1	-169.8	69.5	-136.9	0	0	111.1	I742 D743 R744 H749 Q750 M767 R771	I742-E746 PolarHBondContact O-N 3.2Å; D743-E746 WeakPolarHBondContact O-CB 3.31Å; D743-E746 PolarHBondContact O-N 3.5Å; R744-E746 VanDerWaalsContact C-N 3.31Å; R744-E746 PolarHBondContact O-N 3.43Å; E746-H749 WeakPolarHBondContact O-CB 3.37Å; E746-H749 PolarHBondContact O-N 3.45Å; E746-Q750 PolarHBondContact O-N 2.77Å; E746-M767 HydrophobicContact CB-CE 3.99Å; E746-M767 WeakPolarHBondContact OE2-CE 3.32Å; E746-R771 IonicContact OE1-CZ 2.68Å; E746-R771 IonicContact OE1-NE 3.97Å; E746-R771 IonicContact OE1-NH2 2.93Å; E746-R771 PolarHBondContact OE1-NH2 3.42Å; E746-R771 IonicContact OE2-CZ 3.89Å; E746-R771 IonicContact OE2-NE 3.55Å; E746-R771 PolarHBondContact OE2-NE 2.9Å; E746-R771 IonicContact OE2-NH2 3.71Å; E746-R771 PolarHBondContact OE2-NH2 3.03Å
747	G	93.3	Very high	92.3	Very high	33 Å²	33	64.9 Å²	64.9	34%	0.34	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-44.3	172.5	0	0	0	0	0	113.4	D743 R744 L745 H749 Q750 L751	D743-G747 PolarHBondContact O-N 3.35Å; R744-G747 PolarHBondContact O-N 2.88Å; L745-G747 VanDerWaalsContact C-N 3.34Å; G747-H749 VanDerWaalsContact C-N 3.29Å; G747-H749 PolarHBondContact O-N 3.08Å; G747-Q750 PolarHBondContact O-N 3.15Å; G747-L751 WeakPolarHBondContact O-CG 3.46Å; G747-L751 PolarHBondContact O-N 3.08Å; G747-L751 VanDerWaalsContact O-N 3.09Å
748	D	92.9	Very high	92.2	Very high	20 Å²	20	68.1 Å²	68.1	11%	0.107	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-35.7	175.3	-72	-7.1	0	0	0	111.7	F692 Q695 R744 L745 L752	F692-D748 HydrophobicContact CB-CB 4.33Å; F692-D748 HydrophobicContact CD2-CB 4.33Å; Q695-D748 PolarHBondContact NE2-OD2 3.42Å; R744-D748 PolarHBondContact O-N 3.27Å; L745-D748 PolarHBondContact O-N 2.93Å; D748-L752 PolarHBondContact O-N 3.42Å
749	H	93.6	Very high	91.9	Very high	39 Å²	39	70.1 Å²	70.1	18%	0.181	35%	0.351	C	S	.	.	H	α-helix	trans	-66.5	-41.8	175	-169.6	54.8	0	0	0	112.3	F692 L745 E746 G747 L752 Q753 M767	F692-H749 HydrophobicContact CD2-CB 4Å; F692-H749 HydrophobicContact CE2-CB 3.71Å; F692-H749 AromaticContact CE2-ND1 3.89Å; L745-H749 PolarHBondContact O-N 3.17Å; E746-H749 WeakPolarHBondContact O-CB 3.37Å; E746-H749 PolarHBondContact O-N 3.45Å; G747-H749 VanDerWaalsContact C-N 3.29Å; G747-H749 PolarHBondContact O-N 3.08Å; H749-L752 WeakPolarHBondContact O-CB 3.46Å; H749-L752 PolarHBondContact O-N 3.46Å; H749-Q753 PolarHBondContact NE2-NE2 3Å; H749-Q753 PolarHBondContact O-N 2.96Å; H749-M767 HydrophobicContact CB-CB 4.46Å; H749-M767 HydrophobicContact CB-CG 4.23Å; H749-M767 HydrophobicContact CB-SD 4.47Å
750	Q	93.3	Very high	91.9	Very high	105 Å²	105	67.9 Å²	67.9	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-63.2	-43.1	177.9	-178.4	164.2	-2.3	0	0	111.5	E746 G747 L752 Q753 E754	E746-Q750 PolarHBondContact O-N 2.77Å; G747-Q750 PolarHBondContact O-N 3.15Å; Q750-L752 VanDerWaalsContact C-N 3.29Å; Q750-L752 PolarHBondContact O-N 3.32Å; Q750-Q753 PolarHBondContact O-N 3.03Å; Q750-Q753 VanDerWaalsContact O-N 3.16Å; Q750-E754 HydrophobicContact CG-CG 4.39Å; Q750-E754 WeakPolarHBondContact CG-OE1 3.48Å; Q750-E754 PolarHBondContact NE2-OE1 3.43Å; Q750-E754 WeakPolarHBondContact O-CG 3.49Å; Q750-E754 PolarHBondContact O-N 3.2Å
751	L	93.5	Very high	91.7	Very high	81 Å²	81	69.6 Å²	69.6	42%	0.424	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-38.8	174.4	-69.4	174.5	0	0	0	112.2	L688 G747 S755	L688-L751 HydrophobicContact CD1-CB 4.5Å; L688-L751 HydrophobicContact CD2-CB 4.13Å; L688-L751 HydrophobicContact CD2-CD1 4.3Å; G747-L751 WeakPolarHBondContact O-CG 3.46Å; G747-L751 PolarHBondContact O-N 3.08Å; G747-L751 VanDerWaalsContact O-N 3.09Å; L751-S755 WeakPolarHBondContact O-CB 3.4Å; L751-S755 PolarHBondContact O-N 3.23Å; L751-S755 PolarHBondContact O-OG 2.93Å
752	L	92.2	Very high	91.7	Very high	6 Å²	6	69.8 Å²	69.8	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-61.9	-46	173.8	-80.4	168.9	0	0	0	111.9	L688 R689 F692 D748 H749 Q750 S755 L756 V757	L688-L752 HydrophobicContact CB-CD2 3.51Å; L688-L752 HydrophobicContact CB-CG 4.01Å; R689-L752 HydrophobicContact CG-CD2 4.01Å; F692-L752 HydrophobicContact CB-CD1 3.5Å; F692-L752 HydrophobicContact CD1-CD1 4.39Å; F692-L752 HydrophobicContact CD2-CD1 4.22Å; F692-L752 HydrophobicContact CG-CD1 3.78Å; D748-L752 PolarHBondContact O-N 3.42Å; H749-L752 WeakPolarHBondContact O-CB 3.46Å; H749-L752 PolarHBondContact O-N 3.46Å; Q750-L752 VanDerWaalsContact C-N 3.29Å; Q750-L752 PolarHBondContact O-N 3.32Å; L752-S755 WeakPolarHBondContact CA-OG 3.42Å; L752-S755 CarbonylContact O-C 3.54Å; L752-S755 PolarHBondContact O-N 3.04Å; L752-S755 PolarHBondContact O-OG 2.95Å; L752-L756 PolarHBondContact O-N 2.77Å; L752-V757 HydrophobicContact CD2-CB 3.78Å; L752-V757 HydrophobicContact CD2-CG1 3.69Å; L752-V757 HydrophobicContact CD2-CG2 4.46Å; L752-V757 PolarHBondContact O-N 3.37Å
753	Q	91	Very high	91.7	Very high	91 Å²	91	70.2 Å²	70.2	43%	0.425	34%	0.344	S	S	.	.	H	α-helix	trans	-64.7	-42.7	178.3	-70.3	-176.2	-31.8	0	0	112.8	H749 Q750 S755 L756	H749-Q753 PolarHBondContact NE2-NE2 3Å; H749-Q753 PolarHBondContact O-N 2.96Å; Q750-Q753 PolarHBondContact O-N 3.03Å; Q750-Q753 VanDerWaalsContact O-N 3.16Å; Q753-S755 PolarHBondContact O-N 3.41Å; Q753-L756 WeakPolarHBondContact O-CA 3.35Å; Q753-L756 PolarHBondContact O-N 2.96Å
754	E	91.8	Very high	91.6	Very high	126 Å²	126	72.4 Å²	72.4	59%	0.589	36%	0.36	S	S	*	.	H	α-helix	trans	-64	-31.7	175.8	-71.6	175.4	-174.5	0	0	111.6	Q750 L756	Q750-E754 HydrophobicContact CG-CG 4.39Å; Q750-E754 WeakPolarHBondContact CG-OE1 3.48Å; Q750-E754 PolarHBondContact NE2-OE1 3.43Å; Q750-E754 WeakPolarHBondContact O-CG 3.49Å; Q750-E754 PolarHBondContact O-N 3.2Å; E754-L756 PolarHBondContact O-N 3.04Å
755	S	90.2	Very high	91.5	Very high	33 Å²	33	67.8 Å²	67.8	23%	0.231	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	4.5	171.3	73.5	0	0	0	0	114.6	L751 L752 Q753 V757	L751-S755 WeakPolarHBondContact O-CB 3.4Å; L751-S755 PolarHBondContact O-N 3.23Å; L751-S755 PolarHBondContact O-OG 2.93Å; L752-S755 WeakPolarHBondContact CA-OG 3.42Å; L752-S755 CarbonylContact O-C 3.54Å; L752-S755 PolarHBondContact O-N 3.04Å; L752-S755 PolarHBondContact O-OG 2.95Å; Q753-S755 PolarHBondContact O-N 3.41Å; S755-V757 VanDerWaalsContact C-N 3.28Å; S755-V757 PolarHBondContact O-N 3.33Å; S755-V757 WeakPolarHBondContact OG-CG2 3.42Å
756	L	90.6	Very high	91.4	Very high	131 Å²	131	70.1 Å²	70.1	69%	0.686	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	33.5	-177.5	-54.5	175.9	0	0	0	114.1	L752 Q753 E754 F758	L752-L756 PolarHBondContact O-N 2.77Å; Q753-L756 WeakPolarHBondContact O-CA 3.35Å; Q753-L756 PolarHBondContact O-N 2.96Å; E754-L756 PolarHBondContact O-N 3.04Å; L756-F758 HydrophobicContact CB-CE2 4.24Å; L756-F758 HydrophobicContact CB-CZ 4.46Å; L756-F758 HydrophobicContact CD2-CZ 4.17Å; L756-F758 WeakPolarHBondContact O-CE2 3.3Å
757	V	89.7	Confident	91.4	Very high	9 Å²	9	67.5 Å²	67.5	6%	0.055	35%	0.347	C	S	.	.			trans	-103.5	112.1	177.1	179.2	0	0	0	0	109.6	N685 R689 L752 S755	N685-V757 HydrophobicContact CB-CG2 3.76Å; R689-V757 HydrophobicContact CG-CG1 3.75Å; L752-V757 HydrophobicContact CD2-CB 3.78Å; L752-V757 HydrophobicContact CD2-CG1 3.69Å; L752-V757 HydrophobicContact CD2-CG2 4.46Å; L752-V757 PolarHBondContact O-N 3.37Å; S755-V757 VanDerWaalsContact C-N 3.28Å; S755-V757 PolarHBondContact O-N 3.33Å; S755-V757 WeakPolarHBondContact OG-CG2 3.42Å
758	F	88.4	Confident	91.3	Very high	163 Å²	163	70.9 Å²	70.9	72%	0.715	35%	0.354	S	S	*	.			trans	-109	-12.4	-175.2	-54.9	-70.3	0	0	0	113.7	L756	L756-F758 HydrophobicContact CB-CE2 4.24Å; L756-F758 HydrophobicContact CB-CZ 4.46Å; L756-F758 HydrophobicContact CD2-CZ 4.17Å; L756-F758 WeakPolarHBondContact O-CE2 3.3Å
759	D	88.3	Confident	91.3	Very high	92 Å²	92	75.7 Å²	75.7	49%	0.492	38%	0.376	S	S	.	.			trans	-109.3	144.8	179.9	73.5	-59.9	0	0	0	111.2	R689	R689-D759 WeakPolarHBondContact CD-O 3.39Å; R689-D759 IonicContact CZ-OD1 2.84Å; R689-D759 IonicContact CZ-OD2 3.27Å; R689-D759 PolarHBondContact NE-O 3Å; R689-D759 IonicContact NE-OD1 3.44Å; R689-D759 IonicContact NE-OD2 3.07Å; R689-D759 IonicContact NH2-OD1 2.71Å; R689-D759 PolarHBondContact NH2-OD1 2.83Å; R689-D759 IonicContact NH2-OD2 3.91Å
760	N	90.6	Very high	91.3	Very high	34 Å²	34	74 Å²	74	18%	0.182	37%	0.368	C	S	.	.			trans	-141.6	103.1	173.7	-165	-21.9	0	0	0	111.4	R689 F692 H762 T763	R689-N760 PolarHBondContact O-ND2 3.07Å; R689-N760 PolarHBondContact O-OD1 2.89Å; F692-N760 WeakPolarHBondContact CD1-ND2 3.48Å; N760-H762 PolarHBondContact O-N 3.42Å; N760-H762 WeakPolarHBondContact OD1-CB 3.22Å; N760-H762 PolarHBondContact OD1-N 3.49Å; N760-T763 HydrophobicContact CB-CG2 4.08Å
761	K	88.9	Confident	91.3	Very high	131 Å²	131	72.5 Å²	72.5	57%	0.57	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-9.5	179.2	64.3	-176.8	177.4	-178	0	114.9
762	H	92.6	Very high	91.3	Very high	62 Å²	62	71.3 Å²	71.3	29%	0.287	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-2.7	-172.7	-58.8	-66.2	0	0	0	113.9	E686 A693 N697 N760	E686-H762 IonicContact OE1-CD2 3.13Å; E686-H762 IonicContact OE1-CE1 3.1Å; E686-H762 PolarHBondContact OE1-CE1 2.68Å; E686-H762 VanDerWaalsContact OE1-CE1 3.28Å; E686-H762 IonicContact OE1-NE2 3.17Å; E686-H762 PolarHBondContact OE1-NE2 3.43Å; E686-H762 IonicContact OE2-NE2 3.95Å; A693-H762 HydrophobicContact CB-CB 3.45Å; A693-H762 VanDerWaalsContact CB-CB 3.45Å; N697-H762 PolarHBondContact ND2-O 3.37Å; N760-H762 PolarHBondContact O-N 3.42Å; N760-H762 WeakPolarHBondContact OD1-CB 3.22Å; N760-H762 PolarHBondContact OD1-N 3.49Å
763	T	91.8	Very high	91.3	Very high	19 Å²	19	71.8 Å²	71.8	12%	0.117	36%	0.36	C	S	.	.			trans	-148.6	144.2	-178.2	178.8	0	0	0	0	110.5	F692 A693 N697 N760 Y765	F692-T763 HydrophobicContact CD1-CG2 4.1Å; F692-T763 HydrophobicContact CE1-CG2 4.09Å; A693-T763 HydrophobicContact CB-CG2 3.76Å; N697-T763 PolarHBondContact OD1-OG1 3.12Å; N697-T763 VanDerWaalsContact OD1-OG1 3.08Å; N760-T763 HydrophobicContact CB-CG2 4.08Å; T763-Y765 PolarHBondContact OG1-N 2.97Å; T763-Y765 PolarHBondContact OG1-O 2.84Å
764	V	90.8	Very high	91.4	Very high	125 Å²	125	68.1 Å²	68.1	76%	0.758	34%	0.342	S	S	*	.	S	Bend	trans	-90.1	-12.6	170.1	-63.6	0	0	0	0	112.1
765	Y	91.1	Very high	91.4	Very high	64 Å²	64	67.7 Å²	67.7	25%	0.251	34%	0.341	S	S	.	.			trans	-85.5	116.6	177.7	-62.2	-75.3	0	0	0	109.9	P701 T763 I770	P701-Y765 HydrophobicContact CG-CE2 4.44Å; T763-Y765 PolarHBondContact OG1-N 2.97Å; T763-Y765 PolarHBondContact OG1-O 2.84Å; Y765-I770 HydrophobicContact CD1-CD1 4.04Å; Y765-I770 HydrophobicContact CG-CD1 4.12Å
766	S	91.6	Very high	91.4	Very high	49 Å²	49	72 Å²	72	34%	0.343	36%	0.357	S	S	.	.			trans	-80.6	160.8	165.1	68.6	0	0	0	0	109.6	E768 H769 I770	S766-E768 PolarHBondContact O-N 3.12Å; S766-H769 PolarHBondContact O-N 3.27Å; S766-H769 VanDerWaalsContact O-N 3.16Å; S766-H769 VanDerWaalsContact OG-CG 3.28Å; S766-H769 PolarHBondContact OG-N 3.42Å; S766-H769 VanDerWaalsContact OG-N 3.13Å; S766-H769 PolarHBondContact OG-ND1 3.49Å; S766-I770 PolarHBondContact O-N 3.26Å
767	M	92.4	Very high	91.4	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.02	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-35.2	175.1	-167.5	57.9	-161.2	0	0	111.3	F692 L745 E746 H749 H769 I770 R771	F692-M767 HydrophobicContact CE2-CB 4.28Å; F692-M767 HydrophobicContact CE2-SD 3.97Å; F692-M767 HydrophobicContact CZ-CB 4.08Å; F692-M767 HydrophobicContact CZ-SD 4.32Å; L745-M767 HydrophobicContact CD2-CE 4.28Å; L745-M767 HydrophobicContact CD2-SD 3.74Å; L745-M767 HydrophobicContact CG-CE 4.38Å; L745-M767 HydrophobicContact CG-SD 3.8Å; E746-M767 HydrophobicContact CB-CE 3.99Å; E746-M767 WeakPolarHBondContact OE2-CE 3.32Å; H749-M767 HydrophobicContact CB-CB 4.46Å; H749-M767 HydrophobicContact CB-CG 4.23Å; H749-M767 HydrophobicContact CB-SD 4.47Å; M767-H769 PolarHBondContact O-N 2.98Å; M767-I770 PolarHBondContact O-N 3.24Å; M767-R771 HydrophobicContact CE-CG 4.11Å; M767-R771 HydrophobicContact CG-CG 4.47Å; M767-R771 WeakPolarHBondContact O-CG 3.38Å; M767-R771 PolarHBondContact O-N 3.47Å
768	E	91.9	Very high	91.5	Very high	105 Å²	105	68.9 Å²	68.9	49%	0.491	34%	0.34	S	S	.	.	H	α-helix	trans	-63.7	-41.8	176.9	-164.2	58.3	-156.3	0	0	112.7	S766 I770 R771 V772	S766-E768 PolarHBondContact O-N 3.12Å; E768-I770 VanDerWaalsContact C-N 3.26Å; E768-I770 PolarHBondContact O-N 3.39Å; E768-R771 PolarHBondContact O-N 2.93Å; E768-R771 IonicContact OE2-NH1 3.99Å; E768-R771 PolarHBondContact OE2-NH1 3.38Å; E768-V772 WeakPolarHBondContact O-CG2 3.46Å; E768-V772 PolarHBondContact O-N 2.95Å
769	H	92.3	Very high	91.4	Very high	120 Å²	120	65.7 Å²	65.7	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-58.9	-40	173.8	-68.6	150	0	0	0	111.8	S766 M767 G773	S766-H769 PolarHBondContact O-N 3.27Å; S766-H769 VanDerWaalsContact O-N 3.16Å; S766-H769 VanDerWaalsContact OG-CG 3.28Å; S766-H769 PolarHBondContact OG-N 3.42Å; S766-H769 VanDerWaalsContact OG-N 3.13Å; S766-H769 PolarHBondContact OG-ND1 3.49Å; M767-H769 PolarHBondContact O-N 2.98Å; H769-G773 PolarHBondContact O-N 3.43Å; H769-G773 VanDerWaalsContact O-N 3.08Å
770	I	93.7	Very high	91.4	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.015	32%	0.323	C	S	.	.	H	α-helix	trans	-70.5	-43.4	179.1	-59.8	-60.2	0	0	0	111.4	I699 I703 I742 L745 Y765 S766 M767 E768 G773 W774	I699-I770 HydrophobicContact CG2-CD1 4.25Å; I699-I770 HydrophobicContact CG2-CG2 3.7Å; I703-I770 HydrophobicContact CD1-CG2 3.99Å; I742-I770 HydrophobicContact CD1-CG2 4.19Å; L745-I770 HydrophobicContact CD2-CB 4.28Å; L745-I770 HydrophobicContact CD2-CG1 4.03Å; L745-I770 HydrophobicContact CD2-CG2 3.91Å; Y765-I770 HydrophobicContact CD1-CD1 4.04Å; Y765-I770 HydrophobicContact CG-CD1 4.12Å; S766-I770 PolarHBondContact O-N 3.26Å; M767-I770 PolarHBondContact O-N 3.24Å; E768-I770 VanDerWaalsContact C-N 3.26Å; E768-I770 PolarHBondContact O-N 3.39Å; I770-G773 PolarHBondContact O-N 2.98Å; I770-W774 VanDerWaalsContact O-CB 3.25Å; I770-W774 WeakPolarHBondContact O-CB 3.43Å; I770-W774 PolarHBondContact O-N 3.36Å
771	R	94.8	Very high	91.2	Very high	74 Å²	74	61.6 Å²	61.6	28%	0.279	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-52.5	177.7	-71.9	-177.7	-167.7	144.7	-6.2	111.7	E746 M767 E768 G773 W774 E775	E746-R771 IonicContact OE1-CZ 2.68Å; E746-R771 IonicContact OE1-NE 3.97Å; E746-R771 IonicContact OE1-NH2 2.93Å; E746-R771 PolarHBondContact OE1-NH2 3.42Å; E746-R771 IonicContact OE2-CZ 3.89Å; E746-R771 IonicContact OE2-NE 3.55Å; E746-R771 PolarHBondContact OE2-NE 2.9Å; E746-R771 IonicContact OE2-NH2 3.71Å; E746-R771 PolarHBondContact OE2-NH2 3.03Å; M767-R771 HydrophobicContact CE-CG 4.11Å; M767-R771 HydrophobicContact CG-CG 4.47Å; M767-R771 WeakPolarHBondContact O-CG 3.38Å; M767-R771 PolarHBondContact O-N 3.47Å; E768-R771 PolarHBondContact O-N 2.93Å; E768-R771 IonicContact OE2-NH1 3.99Å; E768-R771 PolarHBondContact OE2-NH1 3.38Å; R771-G773 VanDerWaalsContact C-N 3.34Å; R771-G773 PolarHBondContact O-N 3.42Å; R771-W774 PolarHBondContact O-N 3.09Å; R771-E775 WeakPolarHBondContact O-CB 3.44Å; R771-E775 WeakPolarHBondContact O-CG 3.19Å; R771-E775 PolarHBondContact O-N 3.47Å
772	V	93.6	Very high	91.1	Very high	56 Å²	56	57.8 Å²	57.8	34%	0.339	31%	0.308	S	S	.	.	H	α-helix	trans	-60.3	-45.8	179.4	174.1	0	0	0	0	110.6	E768 W774 E775 Q776	E768-V772 WeakPolarHBondContact O-CG2 3.46Å; E768-V772 PolarHBondContact O-N 2.95Å; V772-W774 VanDerWaalsContact C-N 3.31Å; V772-W774 PolarHBondContact O-N 3.46Å; V772-E775 PolarHBondContact O-N 3.21Å; V772-Q776 HydrophobicContact CG1-CG 4.3Å; V772-Q776 VanDerWaalsContact O-CB 3.31Å; V772-Q776 WeakPolarHBondContact O-CB 3.47Å; V772-Q776 VanDerWaalsContact O-CG 3.24Å; V772-Q776 WeakPolarHBondContact O-CG 3.45Å; V772-Q776 PolarHBondContact O-N 3.45Å
773	G	90.9	Very high	90.7	Very high	16 Å²	16	62.3 Å²	62.3	17%	0.165	32%	0.323	C	S	.	.	H	α-helix	trans	-60.3	-41.1	177.4	0	0	0	0	0	112.7	I703 H769 I770 R771 L777	I703-G773 WeakPolarHBondContact CG2-O 3.26Å; H769-G773 PolarHBondContact O-N 3.43Å; H769-G773 VanDerWaalsContact O-N 3.08Å; I770-G773 PolarHBondContact O-N 2.98Å; R771-G773 VanDerWaalsContact C-N 3.34Å; R771-G773 PolarHBondContact O-N 3.42Å; G773-L777 WeakPolarHBondContact O-CB 3.44Å; G773-L777 PolarHBondContact O-N 2.97Å
774	W	93.6	Very high	90.3	Very high	14 Å²	14	61.8 Å²	61.8	5%	0.053	32%	0.319	C	S	.	.	H	α-helix	trans	-67.8	-46	178.5	-177.1	-98.2	0	0	0	112.6	W702 I703 I735 Y738 K739 I742 I770 R771 V772 L777 L778	W702-W774 HydrophobicContact CE3-CZ3 4.25Å; W702-W774 HydrophobicContact CH2-CH2 4.38Å; W702-W774 AromaticContact CH2-CZ3 4Å; W702-W774 HydrophobicContact CH2-CZ3 4Å; W702-W774 HydrophobicContact CZ3-CE3 4.22Å; W702-W774 HydrophobicContact CZ3-CH2 4.21Å; W702-W774 AromaticContact CZ3-CZ3 3.4Å; W702-W774 HydrophobicContact CZ3-CZ3 3.4Å; W702-W774 VanDerWaalsContact CZ3-CZ3 3.4Å; I703-W774 HydrophobicContact CD1-CB 4.09Å; I703-W774 HydrophobicContact CD1-CE3 4.07Å; I703-W774 HydrophobicContact CG1-CE3 4.03Å; I735-W774 HydrophobicContact CG2-CH2 3.74Å; I735-W774 HydrophobicContact CG2-CZ2 3.84Å; I735-W774 HydrophobicContact CG2-CZ3 4.36Å; I735-W774 WeakPolarHBondContact O-CH2 3.42Å; Y738-W774 HydrophobicContact CD1-CH2 4.41Å; Y738-W774 HydrophobicContact CD1-CZ3 4.05Å; K739-W774 HydrophobicContact CB-CZ2 4.12Å; K739-W774 HydrophobicContact CD-CZ2 4.01Å; I742-W774 HydrophobicContact CD1-CD2 4.06Å; I742-W774 HydrophobicContact CD1-CE3 3.59Å; I742-W774 HydrophobicContact CD1-CZ3 3.88Å; I742-W774 HydrophobicContact CG1-CD2 3.71Å; I742-W774 HydrophobicContact CG1-CE3 3.58Å; I742-W774 HydrophobicContact CG1-CG 4.36Å; I742-W774 HydrophobicContact CG1-CH2 3.95Å; I742-W774 HydrophobicContact CG1-CZ2 4.11Å; I742-W774 HydrophobicContact CG1-CZ3 3.67Å; I770-W774 VanDerWaalsContact O-CB 3.25Å; I770-W774 WeakPolarHBondContact O-CB 3.43Å; I770-W774 PolarHBondContact O-N 3.36Å; R771-W774 PolarHBondContact O-N 3.09Å; V772-W774 VanDerWaalsContact C-N 3.31Å; V772-W774 PolarHBondContact O-N 3.46Å; W774-L777 PolarHBondContact O-N 3.01Å; W774-L778 PolarHBondContact O-N 2.94Å
775	E	91.9	Very high	90	Very high	118 Å²	118	56.1 Å²	56.1	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-64.1	-40.2	177.5	-72.1	176.2	-176.2	0	0	112.1	R771 V772 L778 T779	R771-E775 WeakPolarHBondContact O-CB 3.44Å; R771-E775 WeakPolarHBondContact O-CG 3.19Å; R771-E775 PolarHBondContact O-N 3.47Å; V772-E775 PolarHBondContact O-N 3.21Å; E775-L778 PolarHBondContact O-N 3.1Å; E775-T779 WeakPolarHBondContact O-CB 3.47Å; E775-T779 PolarHBondContact O-N 3.46Å; E775-T779 PolarHBondContact O-OG1 3.46Å
776	Q	89.6	Confident	89.6	Confident	124 Å²	124	57 Å²	57	58%	0.579	29%	0.294	S	S	*	.	H	α-helix	trans	-63.2	-42.3	173.6	-75.9	178.7	-1.7	0	0	111.8	V772 T779 S780	V772-Q776 HydrophobicContact CG1-CG 4.3Å; V772-Q776 VanDerWaalsContact O-CB 3.31Å; V772-Q776 WeakPolarHBondContact O-CB 3.47Å; V772-Q776 VanDerWaalsContact O-CG 3.24Å; V772-Q776 WeakPolarHBondContact O-CG 3.45Å; V772-Q776 PolarHBondContact O-N 3.45Å; Q776-T779 PolarHBondContact O-N 2.68Å; Q776-S780 WeakPolarHBondContact O-CB 3.49Å; Q776-S780 PolarHBondContact O-N 3.04Å
777	L	91.1	Very high	89.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.9	-46.1	176.1	174.7	59.7	0	0	0	111.6	W702 I703 K706 V707 V710 I735 G773 W774 T779 S780 I781	W702-L777 HydrophobicContact CZ3-CD2 4.07Å; I703-L777 HydrophobicContact CG2-CB 4.38Å; I703-L777 HydrophobicContact CG2-CD2 4.29Å; K706-L777 HydrophobicContact CB-CD1 3.96Å; K706-L777 HydrophobicContact CB-CD2 3.72Å; V707-L777 HydrophobicContact CB-CD1 4.41Å; V707-L777 HydrophobicContact CG2-CB 3.89Å; V707-L777 HydrophobicContact CG2-CD1 3.71Å; V707-L777 HydrophobicContact CG2-CG 4.29Å; V710-L777 HydrophobicContact CG2-CD1 4.21Å; I735-L777 HydrophobicContact CD1-CD1 3.9Å; I735-L777 HydrophobicContact CD1-CD2 4.07Å; I735-L777 HydrophobicContact CD1-CG 3.86Å; I735-L777 HydrophobicContact CG1-CD2 4.13Å; I735-L777 HydrophobicContact CG1-CG 4.44Å; I735-L777 HydrophobicContact CG2-CD2 4.46Å; G773-L777 WeakPolarHBondContact O-CB 3.44Å; G773-L777 PolarHBondContact O-N 2.97Å; W774-L777 PolarHBondContact O-N 3.01Å; L777-T779 PolarHBondContact O-N 3.47Å; L777-S780 PolarHBondContact O-N 3.44Å; L777-I781 WeakPolarHBondContact O-CG2 3.35Å; L777-I781 PolarHBondContact O-N 2.93Å
778	L	90.9	Very high	88.4	Confident	73 Å²	73	58.5 Å²	58.5	38%	0.382	30%	0.296	S	S	.	.	H	α-helix	trans	-60.6	-43.8	176.4	-74.5	174.6	0	0	0	112.3	I735 W774 E775 I781 A782	I735-L778 HydrophobicContact CG2-CD2 3.69Å; W774-L778 PolarHBondContact O-N 2.94Å; E775-L778 PolarHBondContact O-N 3.1Å; L778-I781 WeakPolarHBondContact O-CG2 3.37Å; L778-A782 WeakPolarHBondContact O-CB 3.44Å; L778-A782 PolarHBondContact O-N 2.9Å; L778-A782 VanDerWaalsContact O-N 3.12Å
779	T	87.9	Confident	87.8	Confident	96 Å²	96	56.9 Å²	56.9	59%	0.589	29%	0.288	S	S	*	.	H	α-helix	trans	-68.1	-41.7	179	-53.1	0	0	0	0	111.2	E775 Q776 L777 A782 R783	E775-T779 WeakPolarHBondContact O-CB 3.47Å; E775-T779 PolarHBondContact O-N 3.46Å; E775-T779 PolarHBondContact O-OG1 3.46Å; Q776-T779 PolarHBondContact O-N 2.68Å; L777-T779 PolarHBondContact O-N 3.47Å; T779-A782 PolarHBondContact O-N 2.92Å; T779-R783 WeakPolarHBondContact O-CB 3.39Å; T779-R783 PolarHBondContact O-N 2.86Å
780	S	87.1	Confident	87	Confident	38 Å²	38	55 Å²	55	27%	0.266	28%	0.283	S	S	.	.	H	α-helix	trans	-60.7	-47.3	179.6	-176.8	0	0	0	0	111.7	Q776 L777 R783 T784	Q776-S780 WeakPolarHBondContact O-CB 3.49Å; Q776-S780 PolarHBondContact O-N 3.04Å; L777-S780 PolarHBondContact O-N 3.44Å; S780-R783 PolarHBondContact O-N 3.27Å; S780-T784 PolarHBondContact O-N 3.09Å; S780-T784 PolarHBondContact O-OG1 3.07Å
781	I	87.8	Confident	85.8	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-68.6	-40.6	179.2	-163.3	163.9	0	0	0	112.2	V710 L728 Q731 E732 I735 L777 L778 R783 T784 I785	V710-I781 HydrophobicContact CG1-CB 4.17Å; V710-I781 HydrophobicContact CG1-CG1 4.32Å; V710-I781 HydrophobicContact CG2-CB 4.12Å; V710-I781 HydrophobicContact CG2-CD1 3.82Å; V710-I781 HydrophobicContact CG2-CG1 4.07Å; L728-I781 HydrophobicContact CD2-CG1 4.49Å; Q731-I781 HydrophobicContact CB-CD1 3.78Å; E732-I781 HydrophobicContact CB-CD1 3.93Å; E732-I781 VanDerWaalsContact N-CD1 3.29Å; I735-I781 HydrophobicContact CD1-CB 4.46Å; I735-I781 HydrophobicContact CD1-CD1 3.64Å; I735-I781 HydrophobicContact CD1-CG2 4.2Å; L777-I781 WeakPolarHBondContact O-CG2 3.35Å; L777-I781 PolarHBondContact O-N 2.93Å; L778-I781 WeakPolarHBondContact O-CG2 3.37Å; I781-R783 PolarHBondContact O-N 3.19Å; I781-T784 WeakPolarHBondContact CA-OG1 3.32Å; I781-T784 PolarHBondContact O-N 3.41Å; I781-T784 PolarHBondContact O-OG1 3.09Å; I781-I785 HydrophobicContact CG1-CD1 4.01Å; I781-I785 HydrophobicContact CG1-CG1 4.43Å; I781-I785 WeakPolarHBondContact O-CB 3.21Å; I781-I785 WeakPolarHBondContact O-CG1 3.18Å; I781-I785 PolarHBondContact O-N 3.23Å
782	A	85.8	Confident	84.7	Confident	50 Å²	50	55.7 Å²	55.7	41%	0.413	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-41.3	176.1	0	0	0	0	0	112.1	L778 T779 N786	L778-A782 WeakPolarHBondContact O-CB 3.44Å; L778-A782 PolarHBondContact O-N 2.9Å; L778-A782 VanDerWaalsContact O-N 3.12Å; T779-A782 PolarHBondContact O-N 2.92Å; A782-N786 PolarHBondContact O-N 2.75Å; A782-N786 VanDerWaalsContact O-N 3.09Å
783	R	85.3	Confident	83.7	Confident	157 Å²	157	58.4 Å²	58.4	59%	0.592	30%	0.303	S	S	*	.	H	α-helix	trans	-64.6	-48.2	178	-165.4	-172.3	84	-173.6	-3.8	111.7	T779 S780 I781 I785 N786 E787	T779-R783 WeakPolarHBondContact O-CB 3.39Å; T779-R783 PolarHBondContact O-N 2.86Å; S780-R783 PolarHBondContact O-N 3.27Å; I781-R783 PolarHBondContact O-N 3.19Å; R783-I785 VanDerWaalsContact C-N 3.33Å; R783-I785 PolarHBondContact O-N 3.19Å; R783-N786 PolarHBondContact O-N 3.16Å; R783-E787 WeakPolarHBondContact CD-OE1 3.44Å; R783-E787 WeakPolarHBondContact CG-OE1 3.37Å; R783-E787 IonicContact CZ-OE1 2.61Å; R783-E787 IonicContact NE-OE1 2.55Å; R783-E787 PolarHBondContact NE-OE1 3.21Å; R783-E787 IonicContact NH2-OE1 2.93Å; R783-E787 WeakPolarHBondContact O-CG 3.42Å; R783-E787 PolarHBondContact O-N 3.2Å
784	T	82.6	Confident	82.5	Confident	8 Å²	8	59.2 Å²	59.2	5%	0.049	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-34.8	179.7	35.2	0	0	0	0	112.2	V710 A714 S780 I781 E787 V788	V710-T784 WeakPolarHBondContact CG1-OG1 3.45Å; A714-T784 HydrophobicContact CB-CG2 3.49Å; A714-T784 VanDerWaalsContact CB-CG2 3.49Å; S780-T784 PolarHBondContact O-N 3.09Å; S780-T784 PolarHBondContact O-OG1 3.07Å; I781-T784 WeakPolarHBondContact CA-OG1 3.32Å; I781-T784 PolarHBondContact O-N 3.41Å; I781-T784 PolarHBondContact O-OG1 3.09Å; T784-E787 PolarHBondContact O-N 3.44Å; T784-V788 WeakPolarHBondContact O-CG2 3.3Å; T784-V788 PolarHBondContact O-N 3.28Å; T784-V788 VanDerWaalsContact O-N 3.1Å
785	I	83.9	Confident	81.3	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-52.4	171.1	-75.6	170.1	0	0	0	110.8	M725 L728 E732 I781 R783 E787 V788 E789	M725-I785 HydrophobicContact CE-CB 3.87Å; M725-I785 HydrophobicContact CE-CG1 3.71Å; M725-I785 HydrophobicContact CE-CG2 3.77Å; M725-I785 HydrophobicContact SD-CG2 4.27Å; L728-I785 HydrophobicContact CB-CD1 4.38Å; L728-I785 HydrophobicContact CB-CG1 3.72Å; L728-I785 HydrophobicContact CD1-CG1 4.33Å; E732-I785 HydrophobicContact CB-CD1 4.14Å; E732-I785 HydrophobicContact CG-CD1 4.4Å; I781-I785 HydrophobicContact CG1-CD1 4.01Å; I781-I785 HydrophobicContact CG1-CG1 4.43Å; I781-I785 WeakPolarHBondContact O-CB 3.21Å; I781-I785 WeakPolarHBondContact O-CG1 3.18Å; I781-I785 PolarHBondContact O-N 3.23Å; R783-I785 VanDerWaalsContact C-N 3.33Å; R783-I785 PolarHBondContact O-N 3.19Å; I785-E787 VanDerWaalsContact C-N 3.34Å; I785-E787 PolarHBondContact O-N 3.28Å; I785-V788 PolarHBondContact O-N 3.42Å; I785-E789 HydrophobicContact CG2-CG 4.49Å; I785-E789 WeakPolarHBondContact O-CG 3.45Å; I785-E789 PolarHBondContact O-N 3.04Å
786	N	83.1	Confident	80.2	Confident	83 Å²	83	59 Å²	59	44%	0.444	31%	0.307	S	S	.	.	H	α-helix	trans	-64	-36.7	-179	-176.2	53	0	0	0	112.8	A782 R783 E789 N790	A782-N786 PolarHBondContact O-N 2.75Å; A782-N786 VanDerWaalsContact O-N 3.09Å; R783-N786 PolarHBondContact O-N 3.16Å; N786-E789 PolarHBondContact O-N 3.48Å; N786-N790 PolarHBondContact O-N 3.42Å; N786-N790 PolarHBondContact O-ND2 3.36Å
787	E	80.2	Confident	79	Confident	79 Å²	79	57.3 Å²	57.3	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-42.1	174.1	-78.4	167.6	-165.9	0	0	111.8	R783 T784 I785 Q791	R783-E787 WeakPolarHBondContact CD-OE1 3.44Å; R783-E787 WeakPolarHBondContact CG-OE1 3.37Å; R783-E787 IonicContact CZ-OE1 2.61Å; R783-E787 IonicContact NE-OE1 2.55Å; R783-E787 PolarHBondContact NE-OE1 3.21Å; R783-E787 IonicContact NH2-OE1 2.93Å; R783-E787 WeakPolarHBondContact O-CG 3.42Å; R783-E787 PolarHBondContact O-N 3.2Å; T784-E787 PolarHBondContact O-N 3.44Å; I785-E787 VanDerWaalsContact C-N 3.34Å; I785-E787 PolarHBondContact O-N 3.28Å; E787-Q791 VanDerWaalsContact O-CG 3.29Å; E787-Q791 WeakPolarHBondContact O-CG 3.43Å; E787-Q791 PolarHBondContact O-N 3.19Å; E787-Q791 PolarHBondContact O-NE2 2.87Å
788	V	78.6	Confident	77.8	Confident	6 Å²	6	60.8 Å²	60.8	4%	0.036	33%	0.328	C	S	.	.	H	α-helix	trans	-71.2	-39.6	176.8	176	0	0	0	0	111.3	L721 M725 L728 T784 I785 N790 Q791 V792	L721-V788 HydrophobicContact CD2-CG1 4.45Å; M725-V788 HydrophobicContact CB-CG1 4.18Å; M725-V788 HydrophobicContact CE-CB 4.29Å; M725-V788 HydrophobicContact CE-CG1 4.39Å; M725-V788 HydrophobicContact SD-CG1 4.43Å; L728-V788 HydrophobicContact CD1-CG2 4.05Å; T784-V788 WeakPolarHBondContact O-CG2 3.3Å; T784-V788 PolarHBondContact O-N 3.28Å; T784-V788 VanDerWaalsContact O-N 3.1Å; I785-V788 PolarHBondContact O-N 3.42Å; V788-N790 PolarHBondContact O-N 3.19Å; V788-Q791 WeakPolarHBondContact O-CB 3.29Å; V788-Q791 PolarHBondContact O-N 3.34Å; V788-V792 PolarHBondContact O-N 3.32Å
789	E	79.2	Confident	76.4	Confident	70 Å²	70	60.7 Å²	60.7	33%	0.327	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-44.6	176.6	-74.6	-179	168.9	0	0	112.7	M725 R729 I785 N786 Q791 V792 L793	M725-E789 HydrophobicContact SD-CG 3.47Å; M725-E789 WeakPolarHBondContact SD-CG 3.19Å; R729-E789 IonicContact CZ-OE1 2.81Å; R729-E789 IonicContact NE-OE1 3.37Å; R729-E789 IonicContact NH2-OE1 3.55Å; R729-E789 PolarHBondContact NH2-OE1 3.02Å; I785-E789 HydrophobicContact CG2-CG 4.49Å; I785-E789 WeakPolarHBondContact O-CG 3.45Å; I785-E789 PolarHBondContact O-N 3.04Å; N786-E789 PolarHBondContact O-N 3.48Å; E789-Q791 VanDerWaalsContact C-N 3.26Å; E789-Q791 PolarHBondContact O-N 3.04Å; E789-V792 PolarHBondContact O-N 3.17Å; E789-L793 PolarHBondContact O-N 3.32Å; E789-L793 VanDerWaalsContact O-N 3.16Å
790	N	75.4	Confident	75.5	Confident	82 Å²	82	57.2 Å²	57.2	44%	0.439	32%	0.323	S	S	.	.	H	α-helix	trans	-61.5	-35.5	176.5	-77.3	-33.8	0	0	0	112.3	N786 V788 V792 L793 T794	N786-N790 PolarHBondContact O-N 3.42Å; N786-N790 PolarHBondContact O-ND2 3.36Å; V788-N790 PolarHBondContact O-N 3.19Å; N790-V792 VanDerWaalsContact C-N 3.35Å; N790-L793 PolarHBondContact O-N 3.49Å; N790-T794 PolarHBondContact O-N 3.41Å; N790-T794 PolarHBondContact O-OG1 3.26Å
791	Q	69.4	Low	74.5	Confident	58 Å²	58	58 Å²	58	27%	0.271	33%	0.329	S	S	.	.	H	α-helix	trans	-66.3	-37.6	177.2	-69	171	39.5	0	0	112.3	L721 E787 V788 E789 R795 R809	L721-Q791 HydrophobicContact CD1-CB 4.24Å; L721-Q791 HydrophobicContact CD2-CB 4.4Å; E787-Q791 VanDerWaalsContact O-CG 3.29Å; E787-Q791 WeakPolarHBondContact O-CG 3.43Å; E787-Q791 PolarHBondContact O-N 3.19Å; E787-Q791 PolarHBondContact O-NE2 2.87Å; V788-Q791 WeakPolarHBondContact O-CB 3.29Å; V788-Q791 PolarHBondContact O-N 3.34Å; E789-Q791 VanDerWaalsContact C-N 3.26Å; E789-Q791 PolarHBondContact O-N 3.04Å; Q791-R795 PolarHBondContact O-N 3.39Å; Q791-R809 VanDerWaalsContact OE1-NH1 3.07Å
792	V	70.6	Confident	73.4	Confident	32 Å²	32	61.8 Å²	61.8	19%	0.194	35%	0.346	C	S	.	.	H	α-helix	trans	-63.9	-43.6	175.5	175.7	0	0	0	0	110.6	L721 V788 E789 N790 T794 R795 D796	L721-V792 HydrophobicContact CB-CG2 3.79Å; L721-V792 HydrophobicContact CD1-CG2 4.18Å; V788-V792 PolarHBondContact O-N 3.32Å; E789-V792 PolarHBondContact O-N 3.17Å; N790-V792 VanDerWaalsContact C-N 3.35Å; V792-T794 PolarHBondContact O-N 3.3Å; V792-R795 PolarHBondContact O-N 3.35Å; V792-D796 PolarHBondContact O-N 3.48Å
793	L	72.2	Confident	72.6	Confident	113 Å²	113	66.9 Å²	66.9	59%	0.592	36%	0.361	S	S	*	.	H	α-helix	trans	-61.8	-43.1	179.8	-79.8	156.2	0	0	0	113.6	E789 N790 R795 D796 A797	E789-L793 PolarHBondContact O-N 3.32Å; E789-L793 VanDerWaalsContact O-N 3.16Å; N790-L793 PolarHBondContact O-N 3.49Å; L793-R795 VanDerWaalsContact C-N 3.35Å; L793-R795 PolarHBondContact O-N 3.47Å; L793-D796 PolarHBondContact O-N 3.19Å; L793-A797 WeakPolarHBondContact O-CB 3.5Å; L793-A797 PolarHBondContact O-N 2.9Å; L793-A797 VanDerWaalsContact O-N 3.09Å
794	T	66.2	Low	71.7	Confident	34 Å²	34	63.8 Å²	63.8	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-63.3	-39.6	179.7	-67.6	0	0	0	0	112.3	N790 V792 D796 Q862	N790-T794 PolarHBondContact O-N 3.41Å; N790-T794 PolarHBondContact O-OG1 3.26Å; V792-T794 PolarHBondContact O-N 3.3Å; T794-D796 VanDerWaalsContact C-N 3.34Å; T794-D796 PolarHBondContact O-N 3.09Å; T794-Q862 PolarHBondContact OG1-OE1 3.48Å
795	R	68.4	Low	71.1	Confident	26 Å²	26	63.8 Å²	63.8	10%	0.098	35%	0.354	C	S	.	.	H	α-helix	trans	-57.5	-49.3	176	-178.6	-168	68	-165.4	-11	110.7	E722 Q791 V792 L793 L805	E722-R795 IonicContact OE1-CZ 3.63Å; E722-R795 IonicContact OE1-NH1 2.87Å; E722-R795 PolarHBondContact OE1-NH1 3.03Å; E722-R795 IonicContact OE1-NH2 3.94Å; E722-R795 PolarHBondContact OE1-NH2 3.46Å; E722-R795 IonicContact OE2-NH1 3.85Å; Q791-R795 PolarHBondContact O-N 3.39Å; V792-R795 PolarHBondContact O-N 3.35Å; L793-R795 VanDerWaalsContact C-N 3.35Å; L793-R795 PolarHBondContact O-N 3.47Å; R795-L805 HydrophobicContact CB-CD2 3.73Å; R795-L805 HydrophobicContact CG-CD2 3.85Å
796	D	68.9	Low	70.5	Confident	102 Å²	102	67.7 Å²	67.7	55%	0.545	37%	0.374	S	S	.	.	H	α-helix	trans	-75.1	-34.9	-170.1	-65.7	-7.1	0	0	0	112.4	V792 L793 T794 K798	V792-D796 PolarHBondContact O-N 3.48Å; L793-D796 PolarHBondContact O-N 3.19Å; T794-D796 VanDerWaalsContact C-N 3.34Å; T794-D796 PolarHBondContact O-N 3.09Å; D796-K798 PolarHBondContact O-N 3.46Å
797	A	65.1	Low	70	Confident	87 Å²	87	70.1 Å²	70.1	72%	0.719	38%	0.383	S	S	*	.	H	α-helix	trans	-70.2	-29.3	-177.4	0	0	0	0	0	114.4	L793	L793-A797 WeakPolarHBondContact O-CB 3.5Å; L793-A797 PolarHBondContact O-N 2.9Å; L793-A797 VanDerWaalsContact O-N 3.09Å
798	K	65.8	Low	69.7	Low	73 Å²	73	68 Å²	68	32%	0.317	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	1.7	-175	-68.2	-160.9	163.8	-147.8	0	114.5	D796 L800 I865 D866	D796-K798 PolarHBondContact O-N 3.46Å; K798-L800 HydrophobicContact CB-CD1 4.05Å; K798-L800 HydrophobicContact CB-CG 3.98Å; K798-L800 PolarHBondContact O-N 3.2Å; K798-I865 HydrophobicContact CD-CG2 3.72Å; K798-D866 VanDerWaalsContact CE-OD1 3.27Å; K798-D866 WeakPolarHBondContact CE-OD1 3.21Å; K798-D866 IonicContact NZ-OD1 3.18Å; K798-D866 PolarHBondContact NZ-OD1 2.96Å; K798-D866 IonicContact NZ-OD2 3.93Å; K798-D866 PolarHBondContact NZ-OD2 3.19Å
799	G	61.5	Low	69.5	Low	71 Å²	71	71.1 Å²	71.1	73%	0.732	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	25.1	179.6	0	0	0	0	0	113.9
800	L	67.9	Low	69.3	Low	23 Å²	23	70.7 Å²	70.7	12%	0.12	39%	0.392	C	S	.	.			trans	-77.7	135.8	179.8	-66.5	170.9	0	0	0	109.8	K798 L805 F808 I865 T869	K798-L800 HydrophobicContact CB-CD1 4.05Å; K798-L800 HydrophobicContact CB-CG 3.98Å; K798-L800 PolarHBondContact O-N 3.2Å; L800-L805 HydrophobicContact CD1-CD1 3.76Å; L800-F808 HydrophobicContact CD2-CE2 4.18Å; L800-I865 HydrophobicContact CD1-CD1 4.13Å; L800-I865 HydrophobicContact CD1-CG2 3.86Å; L800-T869 HydrophobicContact CD2-CG2 4.39Å
801	S	67.1	Low	69.2	Low	56 Å²	56	68.7 Å²	68.7	39%	0.392	39%	0.385	S	S	.	.			trans	-68.3	151.9	171.1	78.9	0	0	0	0	110.4	E803 Q804 L805	S801-E803 PolarHBondContact O-N 2.81Å; S801-Q804 PolarHBondContact O-N 3.03Å; S801-Q804 VanDerWaalsContact O-N 3.09Å; S801-Q804 WeakPolarHBondContact OG-CB 3.17Å; S801-Q804 WeakPolarHBondContact OG-CG 3.47Å; S801-Q804 PolarHBondContact OG-N 3.09Å; S801-Q804 VanDerWaalsContact OG-N 3.16Å; S801-L805 PolarHBondContact O-N 2.93Å
802	Q	65.3	Low	69.5	Low	81 Å²	81	66 Å²	66	38%	0.379	37%	0.372	S	S	.	.	H	α-helix	trans	-60	-31.1	-179.4	-163.4	126.1	-1.8	0	0	112	N806	Q802-N806 WeakPolarHBondContact O-CB 3.22Å; Q802-N806 PolarHBondContact O-N 3.47Å; Q802-N806 PolarHBondContact O-ND2 3.18Å
803	E	67.7	Low	69.7	Low	157 Å²	157	68.8 Å²	68.8	73%	0.734	39%	0.386	S	S	*	.	H	α-helix	trans	-70.9	-43.5	174.7	-67.8	177.8	174.7	0	0	111.9	S801 N806 E807	S801-E803 PolarHBondContact O-N 2.81Å; E803-N806 PolarHBondContact O-N 3.21Å; E803-E807 PolarHBondContact O-N 3.12Å
804	Q	67.2	Low	70	Confident	93 Å²	93	70.3 Å²	70.3	44%	0.435	39%	0.39	S	S	.	.	H	α-helix	trans	-65.3	-42.3	176.6	-78.4	-179.5	-43.2	0	0	112.3	S801 N806 E807 F808	S801-Q804 PolarHBondContact O-N 3.03Å; S801-Q804 VanDerWaalsContact O-N 3.09Å; S801-Q804 WeakPolarHBondContact OG-CB 3.17Å; S801-Q804 WeakPolarHBondContact OG-CG 3.47Å; S801-Q804 PolarHBondContact OG-N 3.09Å; S801-Q804 VanDerWaalsContact OG-N 3.16Å; Q804-N806 VanDerWaalsContact C-N 3.3Å; Q804-N806 PolarHBondContact O-N 2.91Å; Q804-E807 PolarHBondContact O-N 3.27Å; Q804-F808 WeakPolarHBondContact O-CD2 3.27Å; Q804-F808 WeakPolarHBondContact O-CG 3.37Å; Q804-F808 PolarHBondContact O-N 3.15Å
805	L	69.8	Low	70.5	Confident	8 Å²	8	70.6 Å²	70.6	4%	0.042	39%	0.388	C	S	.	.	H	α-helix	trans	-64.3	-39.6	175.5	-168.4	78	0	0	0	110.8	R795 L800 S801 F808 R809 F861 I865	R795-L805 HydrophobicContact CB-CD2 3.73Å; R795-L805 HydrophobicContact CG-CD2 3.85Å; L800-L805 HydrophobicContact CD1-CD1 3.76Å; S801-L805 PolarHBondContact O-N 2.93Å; L805-F808 PolarHBondContact O-N 3.27Å; L805-R809 WeakPolarHBondContact O-CB 3.39Å; L805-R809 PolarHBondContact O-N 2.83Å; L805-F861 HydrophobicContact CD1-CE1 4.44Å; L805-I865 HydrophobicContact CD1-CD1 3.93Å
806	N	71.8	Confident	70.8	Confident	87 Å²	87	69.8 Å²	69.8	47%	0.465	39%	0.386	S	S	.	.	H	α-helix	trans	-66.9	-35.2	175.7	-75.7	-14.4	0	0	0	112.5	Q802 E803 Q804 R809 A810	Q802-N806 WeakPolarHBondContact O-CB 3.22Å; Q802-N806 PolarHBondContact O-N 3.47Å; Q802-N806 PolarHBondContact O-ND2 3.18Å; E803-N806 PolarHBondContact O-N 3.21Å; Q804-N806 VanDerWaalsContact C-N 3.3Å; Q804-N806 PolarHBondContact O-N 2.91Å; N806-R809 PolarHBondContact O-N 3.31Å; N806-A810 WeakPolarHBondContact O-CB 3.27Å; N806-A810 PolarHBondContact O-N 3.23Å
807	E	72.4	Confident	70.9	Confident	135 Å²	135	74.9 Å²	74.9	63%	0.631	40%	0.397	S	S	*	.	H	α-helix	trans	-67	-46.6	173.3	-84.4	-172.6	157.9	0	0	112	E803 Q804 R809 A810 S811	E803-E807 PolarHBondContact O-N 3.12Å; Q804-E807 PolarHBondContact O-N 3.27Å; E807-R809 PolarHBondContact O-N 3.26Å; E807-A810 PolarHBondContact O-N 2.76Å; E807-S811 WeakPolarHBondContact O-CB 3.2Å; E807-S811 PolarHBondContact O-N 2.96Å; E807-S811 PolarHBondContact O-OG 2.9Å
808	F	74.5	Confident	71	Confident	35 Å²	35	77.1 Å²	77.1	15%	0.154	39%	0.391	C	S	.	.	H	α-helix	trans	-61	-37.4	174.3	-68	-43.2	0	0	0	111.2	L800 Q804 L805 F812 M835 F861 F864 I865 M868	L800-F808 HydrophobicContact CD2-CE2 4.18Å; Q804-F808 WeakPolarHBondContact O-CD2 3.27Å; Q804-F808 WeakPolarHBondContact O-CG 3.37Å; Q804-F808 PolarHBondContact O-N 3.15Å; L805-F808 PolarHBondContact O-N 3.27Å; F808-F812 VanDerWaalsContact O-CB 3.28Å; F808-F812 WeakPolarHBondContact O-CB 3.18Å; F808-F812 PolarHBondContact O-N 3.36Å; F808-M835 HydrophobicContact CD1-CE 4.19Å; F808-M835 HydrophobicContact CE1-CE 4.01Å; F808-F861 HydrophobicContact CB-CE2 4.42Å; F808-F861 HydrophobicContact CB-CZ 4.47Å; F808-F864 HydrophobicContact CB-CE1 4.34Å; F808-I865 HydrophobicContact CB-CD1 3.65Å; F808-I865 HydrophobicContact CD2-CD1 3.53Å; F808-I865 HydrophobicContact CE2-CD1 4.45Å; F808-I865 HydrophobicContact CG-CD1 3.85Å; F808-M868 HydrophobicContact CE1-CB 4.4Å; F808-M868 HydrophobicContact CZ-CB 4.46Å
809	R	73.8	Confident	71	Confident	70 Å²	70	82.2 Å²	82.2	26%	0.264	42%	0.416	S	S	.	.	H	α-helix	trans	-73	-39.7	178.2	-162.8	170.1	-168.4	161.7	0.7	112.9	Q791 L805 N806 E807 S811 F812 N813 F861	Q791-R809 VanDerWaalsContact OE1-NH1 3.07Å; L805-R809 WeakPolarHBondContact O-CB 3.39Å; L805-R809 PolarHBondContact O-N 2.83Å; N806-R809 PolarHBondContact O-N 3.31Å; E807-R809 PolarHBondContact O-N 3.26Å; R809-S811 VanDerWaalsContact C-N 3.29Å; R809-F812 PolarHBondContact O-N 3.25Å; R809-N813 WeakPolarHBondContact O-CB 3.28Å; R809-N813 VanDerWaalsContact O-CG 3.26Å; R809-N813 PolarHBondContact O-N 3.42Å; R809-F861 HydrophobicContact CB-CE2 4.12Å; R809-F861 HydrophobicContact CB-CZ 3.73Å; R809-F861 HydrophobicContact CG-CE2 4.39Å; R809-F861 HydrophobicContact CG-CZ 4.03Å
810	A	73.7	Confident	71.4	Confident	61 Å²	61	83.1 Å²	83.1	50%	0.504	40%	0.404	S	S	.	.	H	α-helix	trans	-63.1	-41.5	173.7	0	0	0	0	0	110.3	N806 E807 H814	N806-A810 WeakPolarHBondContact O-CB 3.27Å; N806-A810 PolarHBondContact O-N 3.23Å; E807-A810 PolarHBondContact O-N 2.76Å; A810-H814 VanDerWaalsContact O-CB 3.27Å; A810-H814 WeakPolarHBondContact O-CB 3.48Å; A810-H814 PolarHBondContact O-N 2.89Å
811	S	73.5	Confident	71.5	Confident	40 Å²	40	83.8 Å²	83.8	28%	0.28	42%	0.416	S	S	.	.	H	α-helix	trans	-63.9	-50.2	175.2	-55.1	0	0	0	0	111	E807 R809 N813 H814 F815	E807-S811 WeakPolarHBondContact O-CB 3.2Å; E807-S811 PolarHBondContact O-N 2.96Å; E807-S811 PolarHBondContact O-OG 2.9Å; R809-S811 VanDerWaalsContact C-N 3.29Å; S811-N813 PolarHBondContact O-N 3.36Å; S811-H814 WeakPolarHBondContact O-CB 3.46Å; S811-H814 PolarHBondContact O-N 2.87Å; S811-F815 WeakPolarHBondContact O-CD2 3.33Å; S811-F815 PolarHBondContact O-N 3.34Å
812	F	76.2	Confident	72	Confident	2 Å²	2	85.2 Å²	85.2	1%	0.009	42%	0.418	C	S	.	.	H	α-helix	trans	-62.1	-46.3	178.7	-171.5	-85.7	0	0	0	112.4	F808 R809 H814 F815 D816 M823 F861 F864	F808-F812 VanDerWaalsContact O-CB 3.28Å; F808-F812 WeakPolarHBondContact O-CB 3.18Å; F808-F812 PolarHBondContact O-N 3.36Å; R809-F812 PolarHBondContact O-N 3.25Å; F812-H814 VanDerWaalsContact C-N 3.28Å; F812-H814 PolarHBondContact O-N 3.48Å; F812-F815 PolarHBondContact O-N 3.16Å; F812-D816 HydrophobicContact CD1-CB 4.34Å; F812-D816 HydrophobicContact CE1-CB 4.26Å; F812-D816 WeakPolarHBondContact O-CB 3.31Å; F812-D816 PolarHBondContact O-N 2.95Å; F812-M823 HydrophobicContact CB-SD 4.38Å; F812-M823 HydrophobicContact CD1-CG 4.33Å; F812-M823 HydrophobicContact CD1-SD 4.43Å; F812-M823 HydrophobicContact CD2-CE 3.25Å; F812-M823 HydrophobicContact CD2-CG 3.85Å; F812-M823 HydrophobicContact CD2-SD 3.41Å; F812-M823 WeakPolarHBondContact CD2-SD 3.42Å; F812-M823 HydrophobicContact CE1-CG 4.03Å; F812-M823 HydrophobicContact CE2-CB 4.23Å; F812-M823 HydrophobicContact CE2-CE 3.41Å; F812-M823 VanDerWaalsContact CE2-CE 3.41Å; F812-M823 HydrophobicContact CE2-CG 3.55Å; F812-M823 HydrophobicContact CE2-SD 3.73Å; F812-M823 HydrophobicContact CG-CE 4.23Å; F812-M823 HydrophobicContact CG-CG 4.24Å; F812-M823 HydrophobicContact CG-SD 3.81Å; F812-M823 HydrophobicContact CZ-CB 4.35Å; F812-M823 HydrophobicContact CZ-CE 4.44Å; F812-M823 HydrophobicContact CZ-CG 3.64Å; F812-M823 HydrophobicContact CZ-SD 4.34Å; F812-F861 HydrophobicContact CB-CD2 3.56Å; F812-F861 HydrophobicContact CB-CE2 3.7Å; F812-F861 HydrophobicContact CD1-CB 4.23Å; F812-F861 AromaticContact CD1-CD2 3.79Å; F812-F861 HydrophobicContact CD1-CD2 3.79Å; F812-F861 HydrophobicContact CD1-CG 4.37Å; F812-F861 HydrophobicContact CD2-CB 4.28Å; F812-F861 AromaticContact CD2-CD2 3.57Å; F812-F861 HydrophobicContact CD2-CD2 3.57Å; F812-F861 HydrophobicContact CD2-CE2 4.43Å; F812-F861 HydrophobicContact CD2-CG 4.43Å; F812-F861 HydrophobicContact CE1-CB 3.94Å; F812-F861 HydrophobicContact CE1-CD2 4.35Å; F812-F861 HydrophobicContact CE2-CB 3.97Å; F812-F861 HydrophobicContact CE2-CD2 4.13Å; F812-F861 HydrophobicContact CG-CB 4.4Å; F812-F861 AromaticContact CG-CD2 3.37Å; F812-F861 HydrophobicContact CG-CD2 3.37Å; F812-F861 HydrophobicContact CG-CE2 4.05Å; F812-F861 HydrophobicContact CG-CG 4.31Å; F812-F861 HydrophobicContact CZ-CB 3.8Å; F812-F861 HydrophobicContact CZ-CD2 4.5Å; F812-F861 VanDerWaalsContact CZ-N 3.3Å; F812-F864 HydrophobicContact CB-CD1 4.25Å; F812-F864 HydrophobicContact CB-CE1 4.27Å; F812-F864 HydrophobicContact CD2-CB 4.06Å; F812-F864 AromaticContact CD2-CD1 3.68Å; F812-F864 HydrophobicContact CD2-CD1 3.68Å; F812-F864 HydrophobicContact CD2-CE1 4.38Å; F812-F864 AromaticContact CD2-CG 3.99Å; F812-F864 HydrophobicContact CD2-CG 3.99Å; F812-F864 HydrophobicContact CE2-CB 4.13Å; F812-F864 HydrophobicContact CG-CD1 4.43Å
813	N	75.9	Confident	72.7	Confident	90 Å²	90	81.4 Å²	81.4	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-67.7	-26.4	178.6	-74.7	-5.4	0	0	0	113	R809 S811 F815	R809-N813 WeakPolarHBondContact O-CB 3.28Å; R809-N813 VanDerWaalsContact O-CG 3.26Å; R809-N813 PolarHBondContact O-N 3.42Å; S811-N813 PolarHBondContact O-N 3.36Å; N813-F815 VanDerWaalsContact C-N 3.29Å
814	H	77.6	Confident	73.4	Confident	145 Å²	145	77.6 Å²	77.6	67%	0.671	38%	0.382	S	S	*	.	H	α-helix	trans	-66	-35.9	174.7	-173.7	70.4	0	0	0	111.5	A810 S811 F812	A810-H814 VanDerWaalsContact O-CB 3.27Å; A810-H814 WeakPolarHBondContact O-CB 3.48Å; A810-H814 PolarHBondContact O-N 2.89Å; S811-H814 WeakPolarHBondContact O-CB 3.46Å; S811-H814 PolarHBondContact O-N 2.87Å; F812-H814 VanDerWaalsContact C-N 3.28Å; F812-H814 PolarHBondContact O-N 3.48Å
815	F	75.6	Confident	74.1	Confident	41 Å²	41	75 Å²	75	18%	0.18	37%	0.374	C	S	.	.	H	α-helix	trans	-95.7	-17.9	-179.5	-65.7	-74.6	0	0	0	113.6	S811 F812 N813 R817 M823 D827 A830 C831	S811-F815 WeakPolarHBondContact O-CD2 3.33Å; S811-F815 PolarHBondContact O-N 3.34Å; F812-F815 PolarHBondContact O-N 3.16Å; N813-F815 VanDerWaalsContact C-N 3.29Å; F815-R817 VanDerWaalsContact C-N 3.35Å; F815-R817 PolarHBondContact O-N 3.3Å; F815-M823 HydrophobicContact CB-SD 3.95Å; F815-D827 HydrophobicContact CB-CB 4.46Å; F815-A830 HydrophobicContact CD1-CB 4.44Å; F815-A830 HydrophobicContact CE1-CB 4.28Å; F815-C831 HydrophobicContact CD2-CB 3.81Å; F815-C831 HydrophobicContact CE2-CB 4.19Å; F815-C831 HydrophobicContact CG-CB 4.22Å
816	D	76.6	Confident	74.6	Confident	8 Å²	8	80.8 Å²	80.8	4%	0.043	40%	0.404	C	S	.	.			trans	-75	81.1	168.3	-178.8	5	0	0	0	111.6	F812 K818 Q819 N820 G821 M823	F812-D816 HydrophobicContact CD1-CB 4.34Å; F812-D816 HydrophobicContact CE1-CB 4.26Å; F812-D816 WeakPolarHBondContact O-CB 3.31Å; F812-D816 PolarHBondContact O-N 2.95Å; D816-K818 PolarHBondContact O-N 3.43Å; D816-K818 PolarHBondContact OD1-N 2.84Å; D816-K818 VanDerWaalsContact OD1-N 3.15Å; D816-Q819 PolarHBondContact O-N 2.81Å; D816-Q819 PolarHBondContact OD1-N 2.83Å; D816-Q819 WeakPolarHBondContact OD2-CA 3.36Å; D816-N820 PolarHBondContact OD1-OD1 2.76Å; D816-N820 PolarHBondContact OD2-N 3.49Å; D816-G821 WeakPolarHBondContact OD2-CA 3.41Å; D816-G821 PolarHBondContact OD2-N 3.23Å; D816-M823 HydrophobicContact CB-CG 4.38Å
817	R	70.3	Confident	75.1	Confident	209 Å²	209	77.9 Å²	77.9	79%	0.789	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.8	178.2	-64.9	-177.8	-177.4	171.8	5.6	113.8	F815	F815-R817 VanDerWaalsContact C-N 3.35Å; F815-R817 PolarHBondContact O-N 3.3Å
818	K	66.8	Low	75.5	Confident	135 Å²	135	71.5 Å²	71.5	59%	0.587	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-8.5	-175.5	-69.2	179.9	-178.5	169.8	0	112.6	D816 N820 E824	D816-K818 PolarHBondContact O-N 3.43Å; D816-K818 PolarHBondContact OD1-N 2.84Å; D816-K818 VanDerWaalsContact OD1-N 3.15Å; K818-N820 HydrophobicContact CB-CB 4.42Å; K818-N820 PolarHBondContact O-N 3.19Å; K818-N820 VanDerWaalsContact O-N 3.12Å; K818-E824 IonicContact NZ-OE1 3.38Å; K818-E824 PolarHBondContact NZ-OE1 2.77Å
819	Q	64.9	Low	75.7	Confident	179 Å²	179	73 Å²	73	84%	0.836	36%	0.364	S	S	*	.			trans	48.9	34.5	-176.5	-61.2	-164.7	-30.7	0	0	112.8	D816	D816-Q819 PolarHBondContact O-N 2.81Å; D816-Q819 PolarHBondContact OD1-N 2.83Å; D816-Q819 WeakPolarHBondContact OD2-CA 3.36Å
820	N	70.5	Confident	76	Confident	90 Å²	90	71.6 Å²	71.6	48%	0.481	37%	0.367	S	S	.	.	S	Bend	trans	-105.5	4.9	-178.9	69	-5.6	0	0	0	112.2	D816 K818 M822	D816-N820 PolarHBondContact OD1-OD1 2.76Å; D816-N820 PolarHBondContact OD2-N 3.49Å; K818-N820 HydrophobicContact CB-CB 4.42Å; K818-N820 PolarHBondContact O-N 3.19Å; K818-N820 VanDerWaalsContact O-N 3.12Å; N820-M822 PolarHBondContact OD1-N 2.98Å; N820-M822 PolarHBondContact OD1-O 3.15Å
821	G	69.4	Low	76.4	Confident	37 Å²	37	68.8 Å²	68.8	38%	0.381	34%	0.343	S	S	.	.	S	Bend	trans	80.1	16.9	178.5	0	0	0	0	0	114	D816	D816-G821 WeakPolarHBondContact OD2-CA 3.41Å; D816-G821 PolarHBondContact OD2-N 3.23Å
822	M	78.3	Confident	76.6	Confident	87 Å²	87	67 Å²	67	43%	0.429	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	133.9	-177.8	-57.5	-169.7	-173.9	0	0	111.2	N820 V858	N820-M822 PolarHBondContact OD1-N 2.98Å; N820-M822 PolarHBondContact OD1-O 3.15Å; M822-V858 HydrophobicContact CB-CB 4.32Å; M822-V858 HydrophobicContact SD-CG2 3.93Å
823	M	80.8	Confident	76.7	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.8	175	-68.2	-172.4	-44.9	0	0	111.2	F812 F815 D816 F828 V858 V859 F864	F812-M823 HydrophobicContact CB-SD 4.38Å; F812-M823 HydrophobicContact CD1-CG 4.33Å; F812-M823 HydrophobicContact CD1-SD 4.43Å; F812-M823 HydrophobicContact CD2-CE 3.25Å; F812-M823 HydrophobicContact CD2-CG 3.85Å; F812-M823 HydrophobicContact CD2-SD 3.41Å; F812-M823 WeakPolarHBondContact CD2-SD 3.42Å; F812-M823 HydrophobicContact CE1-CG 4.03Å; F812-M823 HydrophobicContact CE2-CB 4.23Å; F812-M823 HydrophobicContact CE2-CE 3.41Å; F812-M823 VanDerWaalsContact CE2-CE 3.41Å; F812-M823 HydrophobicContact CE2-CG 3.55Å; F812-M823 HydrophobicContact CE2-SD 3.73Å; F812-M823 HydrophobicContact CG-CE 4.23Å; F812-M823 HydrophobicContact CG-CG 4.24Å; F812-M823 HydrophobicContact CG-SD 3.81Å; F812-M823 HydrophobicContact CZ-CB 4.35Å; F812-M823 HydrophobicContact CZ-CE 4.44Å; F812-M823 HydrophobicContact CZ-CG 3.64Å; F812-M823 HydrophobicContact CZ-SD 4.34Å; F815-M823 HydrophobicContact CB-SD 3.95Å; D816-M823 HydrophobicContact CB-CG 4.38Å; M823-F828 HydrophobicContact CE-CB 4.35Å; M823-F828 HydrophobicContact CE-CD2 3.78Å; M823-V858 CarbonylContact O-C 3.58Å; M823-V858 WeakPolarHBondContact O-CA 3.21Å; M823-V859 PolarHBondContact N-O 2.9Å; M823-V859 PolarHBondContact O-N 3.43Å; M823-F864 HydrophobicContact CE-CD2 4.23Å; M823-F864 HydrophobicContact CE-CG 4.27Å
824	E	82.3	Confident	76.8	Confident	78 Å²	78	71 Å²	71	36%	0.364	36%	0.358	S	S	.	.			trans	-76	161.2	172.9	-70	-177.4	-177.5	0	0	110.9	K818 D826 D827 F828 V858	K818-E824 IonicContact NZ-OE1 3.38Å; K818-E824 PolarHBondContact NZ-OE1 2.77Å; E824-D826 VanDerWaalsContact C-N 3.27Å; E824-D826 PolarHBondContact O-N 3.14Å; E824-D827 PolarHBondContact O-N 2.9Å; E824-D827 VanDerWaalsContact O-N 3.09Å; E824-F828 PolarHBondContact O-N 2.61Å; E824-V858 HydrophobicContact CG-CG1 4.44Å
825	P	80.7	Confident	76.6	Confident	39 Å²	39	67.2 Å²	67.2	25%	0.253	34%	0.342	S	S	.	.	H	α-helix	trans	-62.4	-34.6	-172.3	-22.3	35.8	0	0	0	112.5	F828 R829 F844 M848 G857	P825-F828 PolarHBondContact O-N 3.12Å; P825-R829 WeakPolarHBondContact O-CB 3.48Å; P825-R829 PolarHBondContact O-N 2.97Å; P825-F844 WeakPolarHBondContact O-CZ 3.43Å; P825-M848 HydrophobicContact CB-CE 4.1Å; P825-M848 HydrophobicContact CB-SD 4.28Å; P825-M848 HydrophobicContact CG-CE 3.89Å; P825-G857 WeakPolarHBondContact CD-O 3.19Å; P825-G857 VanDerWaalsContact CG-O 3.29Å; P825-G857 WeakPolarHBondContact CG-O 3.38Å
826	D	80.1	Confident	76.3	Confident	129 Å²	129	68.5 Å²	68.5	69%	0.69	37%	0.366	S	S	*	.	H	α-helix	trans	-67.4	-40.3	176.2	-68.1	-20.1	0	0	0	111.8	E824 R829 A830	E824-D826 VanDerWaalsContact C-N 3.27Å; E824-D826 PolarHBondContact O-N 3.14Å; D826-R829 PolarHBondContact O-N 2.55Å; D826-A830 PolarHBondContact O-N 3.06Å
827	D	82.7	Confident	76.1	Confident	26 Å²	26	71.1 Å²	71.1	14%	0.139	38%	0.376	C	S	.	.	H	α-helix	trans	-70.1	-38.5	176.4	-69.3	-36.7	0	0	0	111	F815 E824 A830 C831	F815-D827 HydrophobicContact CB-CB 4.46Å; E824-D827 PolarHBondContact O-N 2.9Å; E824-D827 VanDerWaalsContact O-N 3.09Å; D827-A830 PolarHBondContact O-N 3.23Å; D827-C831 WeakPolarHBondContact O-CB 3.39Å; D827-C831 PolarHBondContact O-N 3.24Å
828	F	81.7	Confident	76	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-65.1	-41	173.5	179.2	-123.6	0	0	0	111.8	M823 E824 P825 A830 C831 L832 F844 I847 M848 V851 V859 F864 F867	M823-F828 HydrophobicContact CE-CB 4.35Å; M823-F828 HydrophobicContact CE-CD2 3.78Å; E824-F828 PolarHBondContact O-N 2.61Å; P825-F828 PolarHBondContact O-N 3.12Å; F828-A830 VanDerWaalsContact C-N 3.34Å; F828-A830 PolarHBondContact O-N 3.4Å; F828-C831 WeakPolarHBondContact O-CB 3.5Å; F828-C831 PolarHBondContact O-N 3.32Å; F828-L832 HydrophobicContact CD1-CD1 4.28Å; F828-L832 HydrophobicContact CD2-CG 4.31Å; F828-L832 HydrophobicContact CE1-CD1 3.69Å; F828-L832 HydrophobicContact CE1-CG 4.35Å; F828-L832 HydrophobicContact CE2-CD1 4.03Å; F828-L832 HydrophobicContact CE2-CD2 3.92Å; F828-L832 HydrophobicContact CE2-CG 3.81Å; F828-L832 HydrophobicContact CZ-CD1 3.56Å; F828-L832 HydrophobicContact CZ-CD2 4.04Å; F828-L832 HydrophobicContact CZ-CG 3.88Å; F828-L832 WeakPolarHBondContact O-CG 3.47Å; F828-L832 PolarHBondContact O-N 3.38Å; F828-F844 AromaticContact CD1-CE2 3.93Å; F828-F844 HydrophobicContact CD1-CE2 3.93Å; F828-F844 HydrophobicContact CD1-CZ 4.03Å; F828-F844 HydrophobicContact CE1-CE2 4.29Å; F828-I847 HydrophobicContact CE1-CG2 4.14Å; F828-I847 HydrophobicContact CZ-CG2 4.36Å; F828-M848 HydrophobicContact CD1-SD 4.15Å; F828-V851 HydrophobicContact CD1-CG2 4.35Å; F828-V851 HydrophobicContact CE1-CG1 4.45Å; F828-V851 HydrophobicContact CE1-CG2 3.62Å; F828-V851 HydrophobicContact CZ-CG1 4.11Å; F828-V851 HydrophobicContact CZ-CG2 4.09Å; F828-V859 HydrophobicContact CB-CB 4.5Å; F828-V859 HydrophobicContact CB-CG2 4.03Å; F828-V859 HydrophobicContact CD1-CG2 3.72Å; F828-V859 HydrophobicContact CD2-CG1 4.27Å; F828-V859 HydrophobicContact CD2-CG2 4.38Å; F828-V859 HydrophobicContact CE1-CG2 4.26Å; F828-V859 HydrophobicContact CE2-CG1 4.41Å; F828-V859 HydrophobicContact CG-CB 4.31Å; F828-V859 HydrophobicContact CG-CG1 4.47Å; F828-V859 HydrophobicContact CG-CG2 3.77Å; F828-F864 HydrophobicContact CD2-CD2 4.14Å; F828-F864 AromaticContact CE2-CD2 3.61Å; F828-F864 HydrophobicContact CE2-CD2 3.61Å; F828-F864 HydrophobicContact CE2-CE2 4.04Å; F828-F867 HydrophobicContact CZ-CD1 4.35Å
829	R	78.1	Confident	76.3	Confident	67 Å²	67	63.4 Å²	63.4	25%	0.253	36%	0.356	S	S	.	.	H	α-helix	trans	-59.7	-45.9	173.1	-167.2	179.4	-178.5	100.3	10.4	111.2	P825 D826 C831 L832 I833 L839 F844	P825-R829 WeakPolarHBondContact O-CB 3.48Å; P825-R829 PolarHBondContact O-N 2.97Å; D826-R829 PolarHBondContact O-N 2.55Å; R829-C831 VanDerWaalsContact C-N 3.32Å; R829-C831 PolarHBondContact O-N 2.99Å; R829-L832 PolarHBondContact O-N 2.78Å; R829-I833 HydrophobicContact CG-CD1 4.17Å; R829-I833 VanDerWaalsContact O-CG1 3.31Å; R829-I833 WeakPolarHBondContact O-CG1 3.34Å; R829-I833 PolarHBondContact O-N 3.46Å; R829-L839 PolarHBondContact NH2-O 3.41Å; R829-F844 HydrophobicContact CB-CD2 4.23Å; R829-F844 HydrophobicContact CB-CE1 4.19Å; R829-F844 HydrophobicContact CB-CE2 3.56Å; R829-F844 HydrophobicContact CB-CZ 3.55Å; R829-F844 HydrophobicContact CG-CD2 3.94Å; R829-F844 HydrophobicContact CG-CE1 4.44Å; R829-F844 HydrophobicContact CG-CE2 3.8Å; R829-F844 HydrophobicContact CG-CG 4.34Å; R829-F844 HydrophobicContact CG-CZ 4.07Å; R829-F844 VanDerWaalsContact NH1-CD1 3.29Å
830	A	80.1	Confident	76.8	Confident	41 Å²	41	57 Å²	57	34%	0.339	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-40	176.4	0	0	0	0	0	112.1	F815 D826 D827 F828 I833 S834	F815-A830 HydrophobicContact CD1-CB 4.44Å; F815-A830 HydrophobicContact CE1-CB 4.28Å; D826-A830 PolarHBondContact O-N 3.06Å; D827-A830 PolarHBondContact O-N 3.23Å; F828-A830 VanDerWaalsContact C-N 3.34Å; F828-A830 PolarHBondContact O-N 3.4Å; A830-I833 PolarHBondContact O-N 3.4Å; A830-S834 WeakPolarHBondContact O-CB 3.22Å; A830-S834 PolarHBondContact O-N 3.38Å
831	C	82	Confident	77.1	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.007	35%	0.352	C	S	.	.	H	α-helix	trans	-61.3	-47.8	175.3	-172.5	0	0	0	0	111.6	F815 D827 F828 R829 I833 S834 M835	F815-C831 HydrophobicContact CD2-CB 3.81Å; F815-C831 HydrophobicContact CE2-CB 4.19Å; F815-C831 HydrophobicContact CG-CB 4.22Å; D827-C831 WeakPolarHBondContact O-CB 3.39Å; D827-C831 PolarHBondContact O-N 3.24Å; F828-C831 WeakPolarHBondContact O-CB 3.5Å; F828-C831 PolarHBondContact O-N 3.32Å; R829-C831 VanDerWaalsContact C-N 3.32Å; R829-C831 PolarHBondContact O-N 2.99Å; C831-I833 PolarHBondContact O-N 3.17Å; C831-S834 WeakPolarHBondContact O-CB 3.43Å; C831-S834 PolarHBondContact O-N 3.1Å; C831-M835 VanDerWaalsContact O-CG 3.31Å; C831-M835 WeakPolarHBondContact O-CG 3.42Å; C831-M835 PolarHBondContact O-N 2.81Å
832	L	78.6	Confident	77.5	Confident	2 Å²	2	65 Å²	65	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-63	-41.3	178.3	-70.4	-179.3	0	0	0	112.6	F828 R829 S834 M835 G836 Y837 L839 F844 I847 F867 M868	F828-L832 HydrophobicContact CD1-CD1 4.28Å; F828-L832 HydrophobicContact CD2-CG 4.31Å; F828-L832 HydrophobicContact CE1-CD1 3.69Å; F828-L832 HydrophobicContact CE1-CG 4.35Å; F828-L832 HydrophobicContact CE2-CD1 4.03Å; F828-L832 HydrophobicContact CE2-CD2 3.92Å; F828-L832 HydrophobicContact CE2-CG 3.81Å; F828-L832 HydrophobicContact CZ-CD1 3.56Å; F828-L832 HydrophobicContact CZ-CD2 4.04Å; F828-L832 HydrophobicContact CZ-CG 3.88Å; F828-L832 WeakPolarHBondContact O-CG 3.47Å; F828-L832 PolarHBondContact O-N 3.38Å; R829-L832 PolarHBondContact O-N 2.78Å; L832-S834 VanDerWaalsContact C-N 3.33Å; L832-S834 PolarHBondContact O-N 3.27Å; L832-M835 PolarHBondContact O-N 3.02Å; L832-M835 VanDerWaalsContact O-N 3.14Å; L832-G836 PolarHBondContact O-N 2.93Å; L832-Y837 PolarHBondContact O-N 3.07Å; L832-Y837 VanDerWaalsContact O-N 3.11Å; L832-L839 HydrophobicContact CD1-CD1 4.43Å; L832-F844 HydrophobicContact CD1-CD2 4.3Å; L832-F844 HydrophobicContact CD1-CE2 4.09Å; L832-I847 HydrophobicContact CD1-CG2 4.28Å; L832-F867 HydrophobicContact CD1-CE1 4.43Å; L832-F867 HydrophobicContact CD2-CD1 4.21Å; L832-F867 HydrophobicContact CD2-CE1 3.65Å; L832-M868 HydrophobicContact CD2-SD 4.21Å
833	I	77.9	Confident	77.3	Confident	91 Å²	91	65.1 Å²	65.1	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-43.2	174.4	-67	166.7	0	0	0	110.5	R829 A830 C831 M835 G836 Y837	R829-I833 HydrophobicContact CG-CD1 4.17Å; R829-I833 VanDerWaalsContact O-CG1 3.31Å; R829-I833 WeakPolarHBondContact O-CG1 3.34Å; R829-I833 PolarHBondContact O-N 3.46Å; A830-I833 PolarHBondContact O-N 3.4Å; C831-I833 PolarHBondContact O-N 3.17Å; I833-M835 PolarHBondContact O-N 3.23Å; I833-G836 PolarHBondContact O-N 3.11Å; I833-Y837 WeakPolarHBondContact CA-O 3.46Å
834	S	77.3	Confident	77.4	Confident	86 Å²	86	66.1 Å²	66.1	60%	0.601	38%	0.376	S	S	*	.	H	α-helix	trans	-64	-24.9	177.2	-172.1	0	0	0	0	113.1	A830 C831 L832 G836	A830-S834 WeakPolarHBondContact O-CB 3.22Å; A830-S834 PolarHBondContact O-N 3.38Å; C831-S834 WeakPolarHBondContact O-CB 3.43Å; C831-S834 PolarHBondContact O-N 3.1Å; L832-S834 VanDerWaalsContact C-N 3.33Å; L832-S834 PolarHBondContact O-N 3.27Å; S834-G836 VanDerWaalsContact C-N 3.32Å
835	M	73.4	Confident	77.2	Confident	66 Å²	66	65 Å²	65	33%	0.325	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.9	176.6	-64.8	178.8	89.1	0	0	113	F808 C831 L832 I833 Y837 F864 M868	F808-M835 HydrophobicContact CD1-CE 4.19Å; F808-M835 HydrophobicContact CE1-CE 4.01Å; C831-M835 VanDerWaalsContact O-CG 3.31Å; C831-M835 WeakPolarHBondContact O-CG 3.42Å; C831-M835 PolarHBondContact O-N 2.81Å; L832-M835 PolarHBondContact O-N 3.02Å; L832-M835 VanDerWaalsContact O-N 3.14Å; I833-M835 PolarHBondContact O-N 3.23Å; M835-Y837 HydrophobicContact CB-CD2 4.28Å; M835-F864 HydrophobicContact CE-CZ 4.49Å; M835-F864 HydrophobicContact SD-CE2 4.26Å; M835-F864 HydrophobicContact SD-CZ 3.91Å; M835-M868 HydrophobicContact CE-CE 3.39Å; M835-M868 HydrophobicContact CE-SD 4.11Å; M835-M868 HydrophobicContact SD-CE 4.03Å; M835-M868 HydrophobicContact SD-SD 4.09Å
836	G	69.1	Low	77	Confident	67 Å²	67	69.5 Å²	69.5	69%	0.691	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.8	6.6	173.1	0	0	0	0	0	115.6	L832 I833 S834	L832-G836 PolarHBondContact O-N 2.93Å; I833-G836 PolarHBondContact O-N 3.11Å; S834-G836 VanDerWaalsContact C-N 3.32Å
837	Y	72.3	Confident	77	Confident	64 Å²	64	63.7 Å²	63.7	25%	0.251	36%	0.361	S	S	.	.			trans	-92	107.4	178	-66.3	-85.8	0	0	0	111.2	L832 I833 M835 M868 E871	L832-Y837 PolarHBondContact O-N 3.07Å; L832-Y837 VanDerWaalsContact O-N 3.11Å; I833-Y837 WeakPolarHBondContact CA-O 3.46Å; M835-Y837 HydrophobicContact CB-CD2 4.28Å; Y837-M868 HydrophobicContact CE2-CE 4.22Å; Y837-E871 WeakPolarHBondContact CE1-OE2 3.39Å; Y837-E871 PolarHBondContact OH-OE2 3.43Å
838	D	69.8	Low	76.9	Confident	156 Å²	156	63.7 Å²	63.7	83%	0.834	36%	0.36	S	S	*	.			trans	-97.6	97.1	174.1	-164.7	12.2	0	0	0	110.2
839	L	72.1	Confident	76.8	Confident	25 Å²	25	68.1 Å²	68.1	13%	0.131	39%	0.388	C	S	.	.			trans	-116.2	130.3	-167.3	-60.7	162.6	0	0	0	110.8	R829 L832 E843 I847	R829-L839 PolarHBondContact NH2-O 3.41Å; L832-L839 HydrophobicContact CD1-CD1 4.43Å; L839-E843 HydrophobicContact CB-CB 4.46Å; L839-E843 HydrophobicContact CD2-CB 4.45Å; L839-E843 HydrophobicContact CD2-CG 3.89Å; L839-I847 HydrophobicContact CD1-CD1 3.4Å; L839-I847 VanDerWaalsContact CD1-CD1 3.4Å; L839-I847 HydrophobicContact CD2-CD1 4.37Å; L839-I847 HydrophobicContact CG-CD1 4.48Å
840	G	75.4	Confident	76.7	Confident	46 Å²	46	69.9 Å²	69.9	47%	0.474	40%	0.4	S	S	.	.			trans	-64.3	165.6	172.4	0	0	0	0	0	112.8	V842 E843 F844	G840-V842 VanDerWaalsContact C-N 3.29Å; G840-V842 PolarHBondContact O-N 3.15Å; G840-E843 PolarHBondContact O-N 3.36Å; G840-E843 VanDerWaalsContact O-N 3.16Å; G840-F844 PolarHBondContact O-N 3.02Å
841	E	76.8	Confident	76.6	Confident	162 Å²	162	68.3 Å²	68.3	76%	0.757	39%	0.386	S	S	*	.	H	α-helix	trans	-55.4	-41.3	-178.8	-82.7	-160.9	163.5	0	0	113.6	E843 A845	E841-E843 VanDerWaalsContact C-N 3.31Å; E841-E843 PolarHBondContact O-N 2.93Å; E841-A845 WeakPolarHBondContact O-CB 3.29Å; E841-A845 PolarHBondContact O-N 3Å
842	V	78	Confident	76.5	Confident	131 Å²	131	68.8 Å²	68.8	79%	0.794	39%	0.389	S	S	*	.	H	α-helix	trans	-65.6	-38.1	-178.8	-176.3	0	0	0	0	111.3	G840 R846	G840-V842 VanDerWaalsContact C-N 3.29Å; G840-V842 PolarHBondContact O-N 3.15Å; V842-R846 PolarHBondContact O-N 2.76Å
843	E	74.6	Confident	76.1	Confident	91 Å²	91	73.9 Å²	73.9	43%	0.425	42%	0.422	S	S	.	.	H	α-helix	trans	-77.2	-37.9	-177.4	-160.7	158	-156.6	0	0	111.8	L839 G840 E841 R846 I847	L839-E843 HydrophobicContact CB-CB 4.46Å; L839-E843 HydrophobicContact CD2-CB 4.45Å; L839-E843 HydrophobicContact CD2-CG 3.89Å; G840-E843 PolarHBondContact O-N 3.36Å; G840-E843 VanDerWaalsContact O-N 3.16Å; E841-E843 VanDerWaalsContact C-N 3.31Å; E841-E843 PolarHBondContact O-N 2.93Å; E843-R846 WeakPolarHBondContact O-CB 3.17Å; E843-R846 PolarHBondContact O-N 2.74Å; E843-R846 IonicContact OE1-NH2 3.79Å; E843-I847 WeakPolarHBondContact O-CG1 3.38Å; E843-I847 PolarHBondContact O-N 3.47Å
844	F	82.1	Confident	76	Confident	21 Å²	21	75.4 Å²	75.4	9%	0.092	43%	0.431	C	S	.	.	H	α-helix	trans	-63.7	-41	171.1	-176.6	-101.5	0	0	0	112.1	P825 F828 R829 L832 G840 R846 I847 M848	P825-F844 WeakPolarHBondContact O-CZ 3.43Å; F828-F844 AromaticContact CD1-CE2 3.93Å; F828-F844 HydrophobicContact CD1-CE2 3.93Å; F828-F844 HydrophobicContact CD1-CZ 4.03Å; F828-F844 HydrophobicContact CE1-CE2 4.29Å; R829-F844 HydrophobicContact CB-CD2 4.23Å; R829-F844 HydrophobicContact CB-CE1 4.19Å; R829-F844 HydrophobicContact CB-CE2 3.56Å; R829-F844 HydrophobicContact CB-CZ 3.55Å; R829-F844 HydrophobicContact CG-CD2 3.94Å; R829-F844 HydrophobicContact CG-CE1 4.44Å; R829-F844 HydrophobicContact CG-CE2 3.8Å; R829-F844 HydrophobicContact CG-CG 4.34Å; R829-F844 HydrophobicContact CG-CZ 4.07Å; R829-F844 VanDerWaalsContact NH1-CD1 3.29Å; L832-F844 HydrophobicContact CD1-CD2 4.3Å; L832-F844 HydrophobicContact CD1-CE2 4.09Å; G840-F844 PolarHBondContact O-N 3.02Å; F844-R846 PolarHBondContact O-N 3.38Å; F844-I847 PolarHBondContact O-N 2.84Å; F844-I847 VanDerWaalsContact O-N 3.16Å; F844-M848 HydrophobicContact CZ-SD 4.46Å; F844-M848 WeakPolarHBondContact O-CB 3.44Å; F844-M848 PolarHBondContact O-N 3.09Å
845	A	78.1	Confident	75.7	Confident	54 Å²	54	75.3 Å²	75.3	45%	0.446	44%	0.435	S	S	.	.	H	α-helix	trans	-60.4	-36.5	175.4	0	0	0	0	0	112	E841 M848 T849	E841-A845 WeakPolarHBondContact O-CB 3.29Å; E841-A845 PolarHBondContact O-N 3Å; A845-M848 PolarHBondContact O-N 3.25Å; A845-T849 PolarHBondContact O-N 3.44Å; A845-T849 PolarHBondContact O-OG1 3.13Å
846	R	77.6	Confident	75.7	Confident	134 Å²	134	75 Å²	75	51%	0.506	44%	0.443	S	S	.	.	H	α-helix	trans	-68.6	-38.7	174.5	-168.7	-172.2	72.1	165.7	-1.6	112.7	V842 E843 F844 M848 T849	V842-R846 PolarHBondContact O-N 2.76Å; E843-R846 WeakPolarHBondContact O-CB 3.17Å; E843-R846 PolarHBondContact O-N 2.74Å; E843-R846 IonicContact OE1-NH2 3.79Å; F844-R846 PolarHBondContact O-N 3.38Å; R846-M848 VanDerWaalsContact C-N 3.35Å; R846-T849 PolarHBondContact O-OG1 3.25Å
847	I	78.9	Confident	76	Confident	6 Å²	6	73.4 Å²	73.4	3%	0.031	43%	0.427	C	S	.	.	H	α-helix	trans	-68.5	-40.3	175.5	-68.9	168.5	0	0	0	110.1	F828 L832 L839 E843 F844 T849 M850 V851 F867	F828-I847 HydrophobicContact CE1-CG2 4.14Å; F828-I847 HydrophobicContact CZ-CG2 4.36Å; L832-I847 HydrophobicContact CD1-CG2 4.28Å; L839-I847 HydrophobicContact CD1-CD1 3.4Å; L839-I847 VanDerWaalsContact CD1-CD1 3.4Å; L839-I847 HydrophobicContact CD2-CD1 4.37Å; L839-I847 HydrophobicContact CG-CD1 4.48Å; E843-I847 WeakPolarHBondContact O-CG1 3.38Å; E843-I847 PolarHBondContact O-N 3.47Å; F844-I847 PolarHBondContact O-N 2.84Å; F844-I847 VanDerWaalsContact O-N 3.16Å; I847-T849 VanDerWaalsContact C-N 3.28Å; I847-T849 PolarHBondContact O-N 3.12Å; I847-M850 WeakPolarHBondContact O-CA 3.39Å; I847-M850 WeakPolarHBondContact O-CB 3.43Å; I847-M850 PolarHBondContact O-N 2.97Å; I847-V851 WeakPolarHBondContact O-CG2 3.36Å; I847-V851 PolarHBondContact O-N 3.47Å; I847-F867 HydrophobicContact CB-CE2 4.26Å; I847-F867 HydrophobicContact CD1-CE2 4.18Å; I847-F867 HydrophobicContact CD1-CZ 3.87Å; I847-F867 HydrophobicContact CG1-CE2 3.92Å; I847-F867 HydrophobicContact CG1-CZ 4.13Å; I847-F867 HydrophobicContact CG2-CD2 3.86Å; I847-F867 HydrophobicContact CG2-CE1 4.21Å; I847-F867 HydrophobicContact CG2-CE2 3.44Å; I847-F867 VanDerWaalsContact CG2-CE2 3.44Å; I847-F867 HydrophobicContact CG2-CG 4.41Å; I847-F867 HydrophobicContact CG2-CZ 3.64Å
848	M	80.4	Confident	76.3	Confident	26 Å²	26	72.3 Å²	72.3	13%	0.128	43%	0.426	C	S	.	.	H	α-helix	trans	-59.6	-38.4	179.1	-163.3	66.9	-164.8	0	0	111.9	P825 F828 F844 A845 R846 M850 V851 D852 V859	P825-M848 HydrophobicContact CB-CE 4.1Å; P825-M848 HydrophobicContact CB-SD 4.28Å; P825-M848 HydrophobicContact CG-CE 3.89Å; F828-M848 HydrophobicContact CD1-SD 4.15Å; F844-M848 HydrophobicContact CZ-SD 4.46Å; F844-M848 WeakPolarHBondContact O-CB 3.44Å; F844-M848 PolarHBondContact O-N 3.09Å; A845-M848 PolarHBondContact O-N 3.25Å; R846-M848 VanDerWaalsContact C-N 3.35Å; M848-M850 PolarHBondContact O-N 3.42Å; M848-V851 PolarHBondContact O-N 2.83Å; M848-V851 HydrophobicContact SD-CG2 4.06Å; M848-D852 HydrophobicContact CE-CB 3.77Å; M848-D852 WeakPolarHBondContact O-CA 3.35Å; M848-D852 WeakPolarHBondContact O-CB 3.47Å; M848-D852 PolarHBondContact O-N 3.44Å; M848-V859 HydrophobicContact CE-CG2 3.7Å; M848-V859 HydrophobicContact SD-CG2 4.01Å
849	T	79.7	Confident	76.8	Confident	94 Å²	94	64.9 Å²	64.9	58%	0.577	39%	0.387	S	S	*	.	H	α-helix	trans	-68.9	-19.2	173.8	46.6	0	0	0	0	114	A845 R846 I847 P853	A845-T849 PolarHBondContact O-N 3.44Å; A845-T849 PolarHBondContact O-OG1 3.13Å; R846-T849 PolarHBondContact O-OG1 3.25Å; I847-T849 VanDerWaalsContact C-N 3.28Å; I847-T849 PolarHBondContact O-N 3.12Å; T849-P853 WeakPolarHBondContact O-CA 3.27Å
850	M	75.6	Confident	77.2	Confident	103 Å²	103	66.4 Å²	66.4	51%	0.507	40%	0.397	S	S	.	.	H	α-helix	trans	-83.1	-40.6	173.1	-65.3	-170.5	-174.6	0	0	112.9	I847 M848	I847-M850 WeakPolarHBondContact O-CA 3.39Å; I847-M850 WeakPolarHBondContact O-CB 3.43Å; I847-M850 PolarHBondContact O-N 2.97Å; M848-M850 PolarHBondContact O-N 3.42Å
851	V	78.1	Confident	77.2	Confident	9 Å²	9	66.2 Å²	66.2	6%	0.055	38%	0.384	C	S	.	.	H	α-helix	trans	-83.8	-22	179.3	-69.7	0	0	0	0	113.5	F828 I847 M848 P853 V859 A863 F867	F828-V851 HydrophobicContact CD1-CG2 4.35Å; F828-V851 HydrophobicContact CE1-CG1 4.45Å; F828-V851 HydrophobicContact CE1-CG2 3.62Å; F828-V851 HydrophobicContact CZ-CG1 4.11Å; F828-V851 HydrophobicContact CZ-CG2 4.09Å; I847-V851 WeakPolarHBondContact O-CG2 3.36Å; I847-V851 PolarHBondContact O-N 3.47Å; M848-V851 PolarHBondContact O-N 2.83Å; M848-V851 HydrophobicContact SD-CG2 4.06Å; V851-P853 VanDerWaalsContact C-CD 3.48Å; V851-V859 HydrophobicContact CB-CG1 4.33Å; V851-V859 HydrophobicContact CG2-CG2 3.97Å; V851-A863 HydrophobicContact CB-CB 4.4Å; V851-A863 WeakPolarHBondContact O-CB 3.48Å; V851-F867 HydrophobicContact CG1-CB 3.33Å; V851-F867 HydrophobicContact CG1-CD2 4.18Å; V851-F867 HydrophobicContact CG1-CG 3.8Å
852	D	80.7	Confident	77	Confident	11 Å²	11	61.9 Å²	61.9	6%	0.059	36%	0.363	C	S	.	.			trans	-131.8	66.5	178.5	-176.6	20.6	0	0	0	110.5	M848 N854 A855 A856 G857	M848-D852 HydrophobicContact CE-CB 3.77Å; M848-D852 WeakPolarHBondContact O-CA 3.35Å; M848-D852 WeakPolarHBondContact O-CB 3.47Å; M848-D852 PolarHBondContact O-N 3.44Å; D852-N854 PolarHBondContact O-N 3.32Å; D852-N854 VanDerWaalsContact O-N 3.15Å; D852-N854 PolarHBondContact OD1-OD1 2.91Å; D852-A855 PolarHBondContact O-N 2.97Å; D852-A855 VanDerWaalsContact O-N 3.07Å; D852-A855 PolarHBondContact OD1-N 3.04Å; D852-A855 VanDerWaalsContact OD1-N 3.11Å; D852-A855 WeakPolarHBondContact OD2-CA 3.33Å; D852-A856 VanDerWaalsContact CG-N 3.3Å; D852-A856 PolarHBondContact OD1-N 3.38Å; D852-A856 PolarHBondContact OD2-N 2.88Å; D852-G857 PolarHBondContact OD2-N 3.48Å
853	P	69.6	Low	76.9	Confident	108 Å²	108	56.6 Å²	56.6	70%	0.701	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.5	-179	25.9	-33.3	0	0	0	113.2	T849 V851	T849-P853 WeakPolarHBondContact O-CA 3.27Å; V851-P853 VanDerWaalsContact C-CD 3.48Å
854	N	76.3	Confident	77	Confident	123 Å²	123	52.2 Å²	52.2	66%	0.658	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	1.1	176.6	55.4	-41	0	0	0	113.8	D852 A856	D852-N854 PolarHBondContact O-N 3.32Å; D852-N854 VanDerWaalsContact O-N 3.15Å; D852-N854 PolarHBondContact OD1-OD1 2.91Å; N854-A856 PolarHBondContact O-N 3.27Å
855	A	71.7	Confident	76.8	Confident	85 Å²	85	51.3 Å²	51.3	70%	0.702	31%	0.309	S	S	*	.			trans	51.3	38.5	-178.9	0	0	0	0	0	113.3	D852 G857	D852-A855 PolarHBondContact O-N 2.97Å; D852-A855 VanDerWaalsContact O-N 3.07Å; D852-A855 PolarHBondContact OD1-N 3.04Å; D852-A855 VanDerWaalsContact OD1-N 3.11Å; D852-A855 WeakPolarHBondContact OD2-CA 3.33Å; A855-G857 PolarHBondContact O-N 2.95Å
856	A	72.3	Confident	76.5	Confident	58 Å²	58	52 Å²	52	48%	0.479	31%	0.305	S	S	.	.			trans	-67.8	-13.4	176.1	0	0	0	0	0	112.7	D852 N854 V858	D852-A856 VanDerWaalsContact CG-N 3.3Å; D852-A856 PolarHBondContact OD1-N 3.38Å; D852-A856 PolarHBondContact OD2-N 2.88Å; N854-A856 PolarHBondContact O-N 3.27Å; A856-V858 HydrophobicContact CB-CG2 4.17Å; A856-V858 PolarHBondContact O-N 3.46Å
857	G	75.5	Confident	76.4	Confident	34 Å²	34	46.3 Å²	46.3	35%	0.351	28%	0.284	S	S	.	.	S	Bend	trans	73.3	13.7	-179.6	0	0	0	0	0	113	P825 D852 A855	P825-G857 WeakPolarHBondContact CD-O 3.19Å; P825-G857 VanDerWaalsContact CG-O 3.29Å; P825-G857 WeakPolarHBondContact CG-O 3.38Å; D852-G857 PolarHBondContact OD2-N 3.48Å; A855-G857 PolarHBondContact O-N 2.95Å
858	V	79.5	Confident	76.1	Confident	41 Å²	41	47.2 Å²	47.2	25%	0.248	29%	0.288	C	S	.	.			trans	-143.1	140.7	178.7	-69.4	0	0	0	0	110.5	M822 M823 E824 A856	M822-V858 HydrophobicContact CB-CB 4.32Å; M822-V858 HydrophobicContact SD-CG2 3.93Å; M823-V858 CarbonylContact O-C 3.58Å; M823-V858 WeakPolarHBondContact O-CA 3.21Å; E824-V858 HydrophobicContact CG-CG1 4.44Å; A856-V858 HydrophobicContact CB-CG2 4.17Å; A856-V858 PolarHBondContact O-N 3.46Å
859	V	80.4	Confident	75.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	116	177.3	-175.5	0	0	0	0	108.8	M823 F828 M848 V851 A863 F864	M823-V859 PolarHBondContact N-O 2.9Å; M823-V859 PolarHBondContact O-N 3.43Å; F828-V859 HydrophobicContact CB-CB 4.5Å; F828-V859 HydrophobicContact CB-CG2 4.03Å; F828-V859 HydrophobicContact CD1-CG2 3.72Å; F828-V859 HydrophobicContact CD2-CG1 4.27Å; F828-V859 HydrophobicContact CD2-CG2 4.38Å; F828-V859 HydrophobicContact CE1-CG2 4.26Å; F828-V859 HydrophobicContact CE2-CG1 4.41Å; F828-V859 HydrophobicContact CG-CB 4.31Å; F828-V859 HydrophobicContact CG-CG1 4.47Å; F828-V859 HydrophobicContact CG-CG2 3.77Å; M848-V859 HydrophobicContact CE-CG2 3.7Å; M848-V859 HydrophobicContact SD-CG2 4.01Å; V851-V859 HydrophobicContact CB-CG1 4.33Å; V851-V859 HydrophobicContact CG2-CG2 3.97Å; V859-A863 HydrophobicContact CG1-CB 4.24Å; V859-F864 HydrophobicContact CG1-CB 4.08Å
860	T	80	Confident	75.1	Confident	58 Å²	58	53.6 Å²	53.6	36%	0.356	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	155.5	173.5	63.2	0	0	0	0	110.7	Q862 A863 F864	T860-Q862 PolarHBondContact O-N 3.01Å; T860-Q862 VanDerWaalsContact O-N 3.15Å; T860-A863 PolarHBondContact O-N 3.22Å; T860-A863 VanDerWaalsContact O-N 3.1Å; T860-A863 PolarHBondContact OG1-N 3.32Å; T860-F864 PolarHBondContact O-N 3.28Å
861	F	74.8	Confident	74.5	Confident	42 Å²	42	53.3 Å²	53.3	18%	0.184	31%	0.305	C	S	.	.	H	α-helix	trans	-55.3	-34.2	175.9	-174.5	-118.4	0	0	0	112.5	L805 F808 R809 F812 F864 I865	L805-F861 HydrophobicContact CD1-CE1 4.44Å; F808-F861 HydrophobicContact CB-CE2 4.42Å; F808-F861 HydrophobicContact CB-CZ 4.47Å; R809-F861 HydrophobicContact CB-CE2 4.12Å; R809-F861 HydrophobicContact CB-CZ 3.73Å; R809-F861 HydrophobicContact CG-CE2 4.39Å; R809-F861 HydrophobicContact CG-CZ 4.03Å; F812-F861 HydrophobicContact CB-CD2 3.56Å; F812-F861 HydrophobicContact CB-CE2 3.7Å; F812-F861 HydrophobicContact CD1-CB 4.23Å; F812-F861 AromaticContact CD1-CD2 3.79Å; F812-F861 HydrophobicContact CD1-CD2 3.79Å; F812-F861 HydrophobicContact CD1-CG 4.37Å; F812-F861 HydrophobicContact CD2-CB 4.28Å; F812-F861 AromaticContact CD2-CD2 3.57Å; F812-F861 HydrophobicContact CD2-CD2 3.57Å; F812-F861 HydrophobicContact CD2-CE2 4.43Å; F812-F861 HydrophobicContact CD2-CG 4.43Å; F812-F861 HydrophobicContact CE1-CB 3.94Å; F812-F861 HydrophobicContact CE1-CD2 4.35Å; F812-F861 HydrophobicContact CE2-CB 3.97Å; F812-F861 HydrophobicContact CE2-CD2 4.13Å; F812-F861 HydrophobicContact CG-CB 4.4Å; F812-F861 AromaticContact CG-CD2 3.37Å; F812-F861 HydrophobicContact CG-CD2 3.37Å; F812-F861 HydrophobicContact CG-CE2 4.05Å; F812-F861 HydrophobicContact CG-CG 4.31Å; F812-F861 HydrophobicContact CZ-CB 3.8Å; F812-F861 HydrophobicContact CZ-CD2 4.5Å; F812-F861 VanDerWaalsContact CZ-N 3.3Å; F861-F864 HydrophobicContact CD2-CD1 4.23Å; F861-F864 HydrophobicContact CE2-CD1 4.28Å; F861-I865 HydrophobicContact CE1-CD1 4.46Å; F861-I865 HydrophobicContact CE1-CG1 4.23Å; F861-I865 HydrophobicContact CE2-CD1 4.37Å; F861-I865 HydrophobicContact CE2-CG1 4.27Å; F861-I865 HydrophobicContact CZ-CD1 3.99Å; F861-I865 HydrophobicContact CZ-CG1 4.08Å; F861-I865 VanDerWaalsContact O-CG1 3.31Å; F861-I865 WeakPolarHBondContact O-CG1 3.48Å; F861-I865 PolarHBondContact O-N 3.44Å; F861-I865 VanDerWaalsContact O-N 3.14Å
862	Q	73.3	Confident	73.6	Confident	70 Å²	70	58.7 Å²	58.7	33%	0.327	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-51	175.8	-171	61.7	54.9	0	0	111.8	T794 T860 F864 I865 D866	T794-Q862 PolarHBondContact OG1-OE1 3.48Å; T860-Q862 PolarHBondContact O-N 3.01Å; T860-Q862 VanDerWaalsContact O-N 3.15Å; Q862-F864 VanDerWaalsContact C-N 3.25Å; Q862-F864 PolarHBondContact O-N 3.07Å; Q862-I865 PolarHBondContact O-N 3.27Å; Q862-D866 PolarHBondContact NE2-OD1 3.08Å; Q862-D866 PolarHBondContact O-N 3.48Å
863	A	76.2	Confident	72.3	Confident	20 Å²	20	62.4 Å²	62.4	17%	0.165	37%	0.37	C	S	.	.	H	α-helix	trans	-61.5	-35.4	178.8	0	0	0	0	0	112.7	V851 V859 T860 D866 F867	V851-A863 HydrophobicContact CB-CB 4.4Å; V851-A863 WeakPolarHBondContact O-CB 3.48Å; V859-A863 HydrophobicContact CG1-CB 4.24Å; T860-A863 PolarHBondContact O-N 3.22Å; T860-A863 VanDerWaalsContact O-N 3.1Å; T860-A863 PolarHBondContact OG1-N 3.32Å; A863-D866 PolarHBondContact O-N 3.23Å; A863-F867 PolarHBondContact O-N 3.35Å; A863-F867 VanDerWaalsContact O-N 3.17Å
864	F	77.1	Confident	70.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-60.7	-49.2	174.7	174.4	-122.1	0	0	0	112.5	F808 F812 M823 F828 M835 V859 T860 F861 Q862 D866 F867 M868	F808-F864 HydrophobicContact CB-CE1 4.34Å; F812-F864 HydrophobicContact CB-CD1 4.25Å; F812-F864 HydrophobicContact CB-CE1 4.27Å; F812-F864 HydrophobicContact CD2-CB 4.06Å; F812-F864 AromaticContact CD2-CD1 3.68Å; F812-F864 HydrophobicContact CD2-CD1 3.68Å; F812-F864 HydrophobicContact CD2-CE1 4.38Å; F812-F864 AromaticContact CD2-CG 3.99Å; F812-F864 HydrophobicContact CD2-CG 3.99Å; F812-F864 HydrophobicContact CE2-CB 4.13Å; F812-F864 HydrophobicContact CG-CD1 4.43Å; M823-F864 HydrophobicContact CE-CD2 4.23Å; M823-F864 HydrophobicContact CE-CG 4.27Å; F828-F864 HydrophobicContact CD2-CD2 4.14Å; F828-F864 AromaticContact CE2-CD2 3.61Å; F828-F864 HydrophobicContact CE2-CD2 3.61Å; F828-F864 HydrophobicContact CE2-CE2 4.04Å; M835-F864 HydrophobicContact CE-CZ 4.49Å; M835-F864 HydrophobicContact SD-CE2 4.26Å; M835-F864 HydrophobicContact SD-CZ 3.91Å; V859-F864 HydrophobicContact CG1-CB 4.08Å; T860-F864 PolarHBondContact O-N 3.28Å; F861-F864 HydrophobicContact CD2-CD1 4.23Å; F861-F864 HydrophobicContact CE2-CD1 4.28Å; Q862-F864 VanDerWaalsContact C-N 3.25Å; Q862-F864 PolarHBondContact O-N 3.07Å; F864-D866 VanDerWaalsContact C-N 3.33Å; F864-D866 PolarHBondContact O-N 2.88Å; F864-F867 PolarHBondContact O-N 3.46Å; F864-M868 HydrophobicContact CD2-CG 4.31Å; F864-M868 HydrophobicContact CE2-CG 3.93Å; F864-M868 HydrophobicContact CE2-SD 4.26Å; F864-M868 HydrophobicContact CZ-CG 4.23Å; F864-M868 WeakPolarHBondContact O-CG 3.42Å; F864-M868 PolarHBondContact O-N 2.94Å
865	I	76.7	Confident	69.8	Low	1 Å²	1	67.9 Å²	67.9	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-60.5	-44	177	-70	-84.5	0	0	0	110.7	K798 L800 L805 F808 F861 Q862 F867 M868 T869	K798-I865 HydrophobicContact CD-CG2 3.72Å; L800-I865 HydrophobicContact CD1-CD1 4.13Å; L800-I865 HydrophobicContact CD1-CG2 3.86Å; L805-I865 HydrophobicContact CD1-CD1 3.93Å; F808-I865 HydrophobicContact CB-CD1 3.65Å; F808-I865 HydrophobicContact CD2-CD1 3.53Å; F808-I865 HydrophobicContact CE2-CD1 4.45Å; F808-I865 HydrophobicContact CG-CD1 3.85Å; F861-I865 HydrophobicContact CE1-CD1 4.46Å; F861-I865 HydrophobicContact CE1-CG1 4.23Å; F861-I865 HydrophobicContact CE2-CD1 4.37Å; F861-I865 HydrophobicContact CE2-CG1 4.27Å; F861-I865 HydrophobicContact CZ-CD1 3.99Å; F861-I865 HydrophobicContact CZ-CG1 4.08Å; F861-I865 VanDerWaalsContact O-CG1 3.31Å; F861-I865 WeakPolarHBondContact O-CG1 3.48Å; F861-I865 PolarHBondContact O-N 3.44Å; F861-I865 VanDerWaalsContact O-N 3.14Å; Q862-I865 PolarHBondContact O-N 3.27Å; I865-F867 VanDerWaalsContact C-N 3.33Å; I865-F867 PolarHBondContact O-N 3.14Å; I865-M868 PolarHBondContact O-N 3.21Å; I865-T869 PolarHBondContact O-N 3.48Å; I865-T869 PolarHBondContact O-OG1 3.33Å; I865-T869 VanDerWaalsContact O-OG1 3.12Å
866	D	73.1	Confident	68.8	Low	69 Å²	69	70.2 Å²	70.2	37%	0.369	39%	0.393	S	S	.	.	H	α-helix	trans	-58.5	-43	-178.7	-74.5	34.1	0	0	0	112.6	K798 Q862 A863 F864 T869 R870	K798-D866 VanDerWaalsContact CE-OD1 3.27Å; K798-D866 WeakPolarHBondContact CE-OD1 3.21Å; K798-D866 IonicContact NZ-OD1 3.18Å; K798-D866 PolarHBondContact NZ-OD1 2.96Å; K798-D866 IonicContact NZ-OD2 3.93Å; K798-D866 PolarHBondContact NZ-OD2 3.19Å; Q862-D866 PolarHBondContact NE2-OD1 3.08Å; Q862-D866 PolarHBondContact O-N 3.48Å; A863-D866 PolarHBondContact O-N 3.23Å; F864-D866 VanDerWaalsContact C-N 3.33Å; F864-D866 PolarHBondContact O-N 2.88Å; D866-T869 PolarHBondContact O-OG1 2.98Å; D866-R870 PolarHBondContact O-N 3.04Å
867	F	74.8	Confident	68.3	Low	15 Å²	15	71.4 Å²	71.4	7%	0.066	40%	0.395	C	S	.	.	H	α-helix	trans	-66	-50.4	177	169.9	-99.7	0	0	0	112.9	F828 L832 I847 V851 A863 F864 I865 T869 R870 E871	F828-F867 HydrophobicContact CZ-CD1 4.35Å; L832-F867 HydrophobicContact CD1-CE1 4.43Å; L832-F867 HydrophobicContact CD2-CD1 4.21Å; L832-F867 HydrophobicContact CD2-CE1 3.65Å; I847-F867 HydrophobicContact CB-CE2 4.26Å; I847-F867 HydrophobicContact CD1-CE2 4.18Å; I847-F867 HydrophobicContact CD1-CZ 3.87Å; I847-F867 HydrophobicContact CG1-CE2 3.92Å; I847-F867 HydrophobicContact CG1-CZ 4.13Å; I847-F867 HydrophobicContact CG2-CD2 3.86Å; I847-F867 HydrophobicContact CG2-CE1 4.21Å; I847-F867 HydrophobicContact CG2-CE2 3.44Å; I847-F867 VanDerWaalsContact CG2-CE2 3.44Å; I847-F867 HydrophobicContact CG2-CG 4.41Å; I847-F867 HydrophobicContact CG2-CZ 3.64Å; V851-F867 HydrophobicContact CG1-CB 3.33Å; V851-F867 HydrophobicContact CG1-CD2 4.18Å; V851-F867 HydrophobicContact CG1-CG 3.8Å; A863-F867 PolarHBondContact O-N 3.35Å; A863-F867 VanDerWaalsContact O-N 3.17Å; F864-F867 PolarHBondContact O-N 3.46Å; I865-F867 VanDerWaalsContact C-N 3.33Å; I865-F867 PolarHBondContact O-N 3.14Å; F867-T869 PolarHBondContact O-N 3.49Å; F867-T869 VanDerWaalsContact O-N 3.12Å; F867-R870 PolarHBondContact O-N 3.36Å; F867-E871 HydrophobicContact CE2-CG 4.31Å; F867-E871 HydrophobicContact CZ-CG 4.35Å
868	M	72.4	Confident	67.9	Low	24 Å²	24	71.7 Å²	71.7	12%	0.118	39%	0.39	C	S	.	.	H	α-helix	trans	-58.4	-31.2	-177.7	-68.3	-58.7	-54.7	0	0	112.6	F808 L832 M835 Y837 F864 I865	F808-M868 HydrophobicContact CE1-CB 4.4Å; F808-M868 HydrophobicContact CZ-CB 4.46Å; L832-M868 HydrophobicContact CD2-SD 4.21Å; M835-M868 HydrophobicContact CE-CE 3.39Å; M835-M868 HydrophobicContact CE-SD 4.11Å; M835-M868 HydrophobicContact SD-CE 4.03Å; M835-M868 HydrophobicContact SD-SD 4.09Å; Y837-M868 HydrophobicContact CE2-CE 4.22Å; F864-M868 HydrophobicContact CD2-CG 4.31Å; F864-M868 HydrophobicContact CE2-CG 3.93Å; F864-M868 HydrophobicContact CE2-SD 4.26Å; F864-M868 HydrophobicContact CZ-CG 4.23Å; F864-M868 WeakPolarHBondContact O-CG 3.42Å; F864-M868 PolarHBondContact O-N 2.94Å; I865-M868 PolarHBondContact O-N 3.21Å
869	T	69.3	Low	67.2	Low	59 Å²	59	77.4 Å²	77.4	36%	0.362	41%	0.414	S	S	.	.	H	α-helix	trans	-80.1	-18	178	54.3	0	0	0	0	114.8	L800 I865 D866 F867 T872	L800-T869 HydrophobicContact CD2-CG2 4.39Å; I865-T869 PolarHBondContact O-N 3.48Å; I865-T869 PolarHBondContact O-OG1 3.33Å; I865-T869 VanDerWaalsContact O-OG1 3.12Å; D866-T869 PolarHBondContact O-OG1 2.98Å; F867-T869 PolarHBondContact O-N 3.49Å; F867-T869 VanDerWaalsContact O-N 3.12Å; T869-T872 PolarHBondContact O-OG1 3.26Å
870	R	69.3	Low	66.8	Low	196 Å²	196	82.6 Å²	82.6	74%	0.74	44%	0.438	S	S	*	.	H	α-helix	trans	-91	-27.9	-171.4	-169.8	173.9	177.4	177.2	-2.4	114.3	D866 F867 T872	D866-R870 PolarHBondContact O-N 3.04Å; F867-R870 PolarHBondContact O-N 3.36Å; R870-T872 PolarHBondContact O-N 2.85Å
871	E	62.6	Low	66.5	Low	97 Å²	97	81.8 Å²	81.8	45%	0.453	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-5.9	-176.3	-99.7	-137.6	133.4	0	0	115.6	Y837 F867	Y837-E871 WeakPolarHBondContact CE1-OE2 3.39Å; Y837-E871 PolarHBondContact OH-OE2 3.43Å; F867-E871 HydrophobicContact CE2-CG 4.31Å; F867-E871 HydrophobicContact CZ-CG 4.35Å
872	T	59.4	Low	66.5	Low	121 Å²	121	81.2 Å²	81.2	74%	0.742	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	21.7	-170.9	43.8	0	0	0	0	115.2	T869 R870	T869-T872 PolarHBondContact O-OG1 3.26Å; R870-T872 PolarHBondContact O-N 2.85Å
873	A	54.1	Low	66.6	Low	90 Å²	90	80.5 Å²	80.5	74%	0.744	44%	0.438	S	S	*	.			trans	-134.4	138.1	-175.4	0	0	0	0	0	116.2
874	E	40.6	Very low	66.7	Low	197 Å²	197	82.7 Å²	82.7	92%	0.921	45%	0.453	S	S	*	.			trans	-98.8	151.8	-177.1	-72.1	-177.9	157.7	0	0	116
875	T	51.8	Low	66.9	Low	148 Å²	148	83.8 Å²	83.8	91%	0.908	46%	0.458	S	S	*	.			trans	-149.6	147.3	175.5	32.4	0	0	0	0	116.3
876	D	50.7	Low	67	Low	134 Å²	134	87.9 Å²	87.9	72%	0.717	48%	0.475	S	S	*	.			trans	-76.9	162.4	-171.9	-67.6	-38.8	0	0	0	118.6
877	T	63.3	Low	67.2	Low	84 Å²	84	91.1 Å²	91.1	52%	0.515	49%	0.491	S	S	.	.			trans	-110	158.1	-169.6	62	0	0	0	0	118.2	E879 Q880	T877-E879 VanDerWaalsContact C-N 3.35Å; T877-E879 PolarHBondContact O-N 3.26Å; T877-Q880 PolarHBondContact O-N 3.32Å
878	T	66.8	Low	67.4	Low	39 Å²	39	92.7 Å²	92.7	24%	0.239	50%	0.5	C	S	.	.	H	α-helix	trans	-52.7	-37.1	-175.9	-42.7	0	0	0	0	115.8	Q880 V881 V882 Y939	T878-Q880 VanDerWaalsContact C-N 3.33Å; T878-Q880 PolarHBondContact O-N 3.21Å; T878-V881 PolarHBondContact O-N 2.84Å; T878-V882 PolarHBondContact O-N 3.18Å; T878-Y939 WeakPolarHBondContact OG1-CB 3.46Å
879	E	65.4	Low	67.6	Low	162 Å²	162	91.6 Å²	91.6	76%	0.757	50%	0.495	S	S	*	.	H	α-helix	trans	-67.2	-33.5	-173.7	-68.1	175.1	162.8	0	0	112.3	T877 V881 V882 A883	T877-E879 VanDerWaalsContact C-N 3.35Å; T877-E879 PolarHBondContact O-N 3.26Å; E879-V881 VanDerWaalsContact C-N 3.32Å; E879-V881 PolarHBondContact O-N 3.16Å; E879-V882 PolarHBondContact O-N 3.39Å; E879-A883 PolarHBondContact O-N 2.87Å; E879-A883 VanDerWaalsContact O-N 3.14Å
880	Q	72	Confident	67.9	Low	108 Å²	108	91.4 Å²	91.4	51%	0.505	50%	0.504	S	S	.	.	H	α-helix	trans	-67.3	-33	177.5	-72.9	-179.9	-16.7	0	0	112.2	T877 T878 S884	T877-Q880 PolarHBondContact O-N 3.32Å; T878-Q880 VanDerWaalsContact C-N 3.33Å; T878-Q880 PolarHBondContact O-N 3.21Å; Q880-S884 PolarHBondContact O-N 3.48Å; Q880-S884 PolarHBondContact O-OG 3.05Å
881	V	72.1	Confident	68.3	Low	41 Å²	41	88.1 Å²	88.1	25%	0.248	50%	0.501	C	S	.	.	H	α-helix	trans	-74.8	-40.1	179.7	-179.3	0	0	0	0	111.2	T878 E879 A883 S884 F885 Y939	T878-V881 PolarHBondContact O-N 2.84Å; E879-V881 VanDerWaalsContact C-N 3.32Å; E879-V881 PolarHBondContact O-N 3.16Å; V881-A883 VanDerWaalsContact C-N 3.33Å; V881-A883 PolarHBondContact O-N 3.02Å; V881-S884 WeakPolarHBondContact O-CB 3.31Å; V881-S884 PolarHBondContact O-N 3.34Å; V881-F885 HydrophobicContact CG1-CD2 4.18Å; V881-F885 HydrophobicContact CG1-CE2 4.07Å; V881-F885 WeakPolarHBondContact O-CD2 3.49Å; V881-F885 PolarHBondContact O-N 3.25Å; V881-Y939 HydrophobicContact CB-CE2 4.38Å; V881-Y939 HydrophobicContact CG1-CE2 4.43Å; V881-Y939 HydrophobicContact CG2-CD2 4.48Å; V881-Y939 HydrophobicContact CG2-CE2 3.79Å
882	V	76.8	Confident	69.1	Low	31 Å²	31	87.3 Å²	87.3	19%	0.188	50%	0.496	C	S	.	.	H	α-helix	trans	-61.7	-42.8	173.8	175.9	0	0	0	0	111.1	T878 E879 S884 F885 K886 Y931 V932	T878-V882 PolarHBondContact O-N 3.18Å; E879-V882 PolarHBondContact O-N 3.39Å; V882-S884 VanDerWaalsContact C-N 3.26Å; V882-S884 PolarHBondContact O-N 3.18Å; V882-F885 PolarHBondContact O-N 2.99Å; V882-K886 PolarHBondContact O-N 3.02Å; V882-Y931 HydrophobicContact CG1-CE2 4.35Å; V882-V932 HydrophobicContact CG1-CG2 4.19Å
883	A	73.8	Confident	70.1	Confident	54 Å²	54	85.6 Å²	85.6	45%	0.446	48%	0.483	S	S	.	.	H	α-helix	trans	-59.2	-39.8	176.9	0	0	0	0	0	111.7	E879 V881 K886 I887	E879-A883 PolarHBondContact O-N 2.87Å; E879-A883 VanDerWaalsContact O-N 3.14Å; V881-A883 VanDerWaalsContact C-N 3.33Å; V881-A883 PolarHBondContact O-N 3.02Å; A883-K886 PolarHBondContact O-N 3.41Å; A883-I887 WeakPolarHBondContact O-CG1 3.31Å; A883-I887 PolarHBondContact O-N 3.27Å
884	S	77.9	Confident	71.5	Confident	67 Å²	67	83.4 Å²	83.4	47%	0.469	46%	0.456	S	S	.	.	H	α-helix	trans	-64	-41.5	178.2	-59.5	0	0	0	0	112.5	Q880 V881 V882 I887 L888	Q880-S884 PolarHBondContact O-N 3.48Å; Q880-S884 PolarHBondContact O-OG 3.05Å; V881-S884 WeakPolarHBondContact O-CB 3.31Å; V881-S884 PolarHBondContact O-N 3.34Å; V882-S884 VanDerWaalsContact C-N 3.26Å; V882-S884 PolarHBondContact O-N 3.18Å; S884-I887 PolarHBondContact O-N 2.97Å; S884-L888 PolarHBondContact O-N 2.8Å
885	F	81.7	Confident	73.5	Confident	22 Å²	22	74 Å²	74	10%	0.096	41%	0.412	C	S	.	.	H	α-helix	trans	-71.3	-29.9	176.4	-82.7	-70.4	0	0	0	113.9	V881 V882 I887 L888 A889 L900 L904 M916 Y931 F934	V881-F885 HydrophobicContact CG1-CD2 4.18Å; V881-F885 HydrophobicContact CG1-CE2 4.07Å; V881-F885 WeakPolarHBondContact O-CD2 3.49Å; V881-F885 PolarHBondContact O-N 3.25Å; V882-F885 PolarHBondContact O-N 2.99Å; F885-I887 VanDerWaalsContact C-N 3.29Å; F885-I887 PolarHBondContact O-N 3.25Å; F885-L888 HydrophobicContact CD1-CD1 4.02Å; F885-L888 HydrophobicContact CE1-CD1 4.39Å; F885-L888 WeakPolarHBondContact O-CB 3.34Å; F885-L888 PolarHBondContact O-N 3.1Å; F885-A889 PolarHBondContact O-N 3.01Å; F885-L900 HydrophobicContact CD1-CD2 4.5Å; F885-L900 HydrophobicContact CE1-CD2 4.02Å; F885-L904 HydrophobicContact CE1-CD1 4.31Å; F885-M916 HydrophobicContact CD1-CE 4.1Å; F885-M916 HydrophobicContact CE1-CE 3.67Å; F885-M916 HydrophobicContact CE2-CE 4.23Å; F885-M916 HydrophobicContact CZ-CE 3.74Å; F885-Y931 HydrophobicContact CB-CD1 4.28Å; F885-Y931 HydrophobicContact CB-CD2 3.2Å; F885-Y931 HydrophobicContact CB-CE2 3.73Å; F885-Y931 HydrophobicContact CB-CG 3.52Å; F885-Y931 HydrophobicContact CG-CD2 4.12Å; F885-Y931 HydrophobicContact CG-CG 4.15Å; F885-F934 HydrophobicContact CE2-CD1 4.48Å; F885-F934 HydrophobicContact CE2-CE1 4.45Å; F885-F934 HydrophobicContact CZ-CE1 4.44Å
886	K	79.1	Confident	75.1	Confident	87 Å²	87	68 Å²	68	38%	0.378	38%	0.375	S	S	.	.	H	α-helix	trans	-64.3	-35.7	175.5	-164.5	168.6	-172	-178.2	0	112.4	V882 A883 A889 D891 Y931	V882-K886 PolarHBondContact O-N 3.02Å; A883-K886 PolarHBondContact O-N 3.41Å; K886-A889 PolarHBondContact O-N 3.42Å; K886-D891 PolarHBondContact O-N 3.21Å; K886-D891 VanDerWaalsContact O-N 3.15Å; K886-Y931 WeakPolarHBondContact CA-OH 3.46Å; K886-Y931 HydrophobicContact CB-CE2 4.23Å; K886-Y931 WeakPolarHBondContact CB-OH 3.44Å; K886-Y931 WeakPolarHBondContact CG-OH 3.49Å
887	I	77.1	Confident	76.6	Confident	137 Å²	137	62.5 Å²	62.5	70%	0.703	35%	0.347	S	S	*	.	H	α-helix	trans	-64.8	-46.5	172.3	-63.4	167.4	0	0	0	110.3	A883 S884 F885 A889 G890	A883-I887 WeakPolarHBondContact O-CG1 3.31Å; A883-I887 PolarHBondContact O-N 3.27Å; S884-I887 PolarHBondContact O-N 2.97Å; F885-I887 VanDerWaalsContact C-N 3.29Å; F885-I887 PolarHBondContact O-N 3.25Å; I887-A889 VanDerWaalsContact C-N 3.26Å; I887-A889 PolarHBondContact O-N 3.48Å; I887-G890 PolarHBondContact O-N 3Å
888	L	79.2	Confident	77.5	Confident	49 Å²	49	64.5 Å²	64.5	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-61	-31.8	178.8	-76.6	154.9	0	0	0	113.2	S884 F885 G890 I895 E903	S884-L888 PolarHBondContact O-N 2.8Å; F885-L888 HydrophobicContact CD1-CD1 4.02Å; F885-L888 HydrophobicContact CE1-CD1 4.39Å; F885-L888 WeakPolarHBondContact O-CB 3.34Å; F885-L888 PolarHBondContact O-N 3.1Å; L888-G890 VanDerWaalsContact C-N 3.34Å; L888-I895 HydrophobicContact CB-CD1 3.9Å; L888-E903 HydrophobicContact CD2-CB 3.31Å; L888-E903 HydrophobicContact CD2-CG 3.87Å
889	A	76.9	Confident	78.2	Confident	1 Å²	1	64 Å²	64	1%	0.008	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3	-179.9	0	0	0	0	0	114.6	F885 K886 I887 K892 Y894 I895 Y931	F885-A889 PolarHBondContact O-N 3.01Å; K886-A889 PolarHBondContact O-N 3.42Å; I887-A889 VanDerWaalsContact C-N 3.26Å; I887-A889 PolarHBondContact O-N 3.48Å; A889-K892 HydrophobicContact CB-CB 4.43Å; A889-K892 WeakPolarHBondContact CB-O 3.33Å; A889-K892 WeakPolarHBondContact O-CB 3.5Å; A889-K892 WeakPolarHBondContact O-CD 3.47Å; A889-K892 WeakPolarHBondContact O-CG 3.42Å; A889-Y894 WeakPolarHBondContact CB-O 2.98Å; A889-I895 HydrophobicContact CB-CB 4.08Å; A889-I895 HydrophobicContact CB-CD1 4.3Å; A889-I895 HydrophobicContact CB-CG1 4.21Å; A889-Y931 HydrophobicContact CB-CD1 4.48Å; A889-Y931 HydrophobicContact CB-CE1 3.77Å
890	G	76	Confident	78.9	Confident	54 Å²	54	56.3 Å²	56.3	56%	0.557	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	48.6	-175.2	0	0	0	0	0	112.7	I887 L888 K892	I887-G890 PolarHBondContact O-N 3Å; L888-G890 VanDerWaalsContact C-N 3.34Å; G890-K892 PolarHBondContact O-N 3.32Å; G890-K892 VanDerWaalsContact O-N 3.11Å
891	D	76.7	Confident	79.6	Confident	127 Å²	127	56.8 Å²	56.8	68%	0.679	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	11	-177.7	-79.7	-36.9	0	0	0	116	K886	K886-D891 PolarHBondContact O-N 3.21Å; K886-D891 VanDerWaalsContact O-N 3.15Å
892	K	80.8	Confident	80.1	Confident	80 Å²	80	63.3 Å²	63.3	35%	0.348	33%	0.326	S	S	.	.			trans	-81.4	143.4	171.2	-56.8	170.7	-150.8	161.1	0	109.4	A889 G890 Y894 E899 Y931	A889-K892 HydrophobicContact CB-CB 4.43Å; A889-K892 WeakPolarHBondContact CB-O 3.33Å; A889-K892 WeakPolarHBondContact O-CB 3.5Å; A889-K892 WeakPolarHBondContact O-CD 3.47Å; A889-K892 WeakPolarHBondContact O-CG 3.42Å; G890-K892 PolarHBondContact O-N 3.32Å; G890-K892 VanDerWaalsContact O-N 3.11Å; K892-Y894 HydrophobicContact CB-CD1 4.38Å; K892-Y894 HydrophobicContact CB-CE1 4.33Å; K892-Y894 WeakPolarHBondContact CB-O 3.42Å; K892-Y894 HydrophobicContact CD-CE2 3.98Å; K892-Y894 PolarHBondContact O-N 3.23Å; K892-Y894 VanDerWaalsContact O-N 3.08Å; K892-E899 IonicContact NZ-OE1 2.8Å; K892-E899 PolarHBondContact NZ-OE1 3.27Å; K892-Y931 PolarHBondContact O-OH 2.79Å; K892-Y931 VanDerWaalsContact O-OH 3.06Å
893	N	79.6	Confident	80.4	Confident	86 Å²	86	66.2 Å²	66.2	46%	0.46	34%	0.338	S	S	.	.	S	Bend	trans	-75.2	9	174.6	-63.5	-26.5	0	0	0	113.5	Y919	N893-Y919 HydrophobicContact CB-CE2 4.25Å; N893-Y919 VanDerWaalsContact O-CE2 3.3Å; N893-Y919 WeakPolarHBondContact O-CE2 3.36Å
894	Y	82.8	Confident	80.6	Confident	43 Å²	43	65.7 Å²	65.7	17%	0.169	33%	0.327	C	S	.	.	S	Bend	trans	-141.4	151.3	177.2	63.5	-98.2	0	0	0	108.9	A889 K892 Y919 A924 P925 A928 L929	A889-Y894 WeakPolarHBondContact CB-O 2.98Å; K892-Y894 HydrophobicContact CB-CD1 4.38Å; K892-Y894 HydrophobicContact CB-CE1 4.33Å; K892-Y894 WeakPolarHBondContact CB-O 3.42Å; K892-Y894 HydrophobicContact CD-CE2 3.98Å; K892-Y894 PolarHBondContact O-N 3.23Å; K892-Y894 VanDerWaalsContact O-N 3.08Å; Y894-Y919 HydrophobicContact CD1-CD1 4.01Å; Y894-Y919 AromaticContact CD1-CE1 3.94Å; Y894-Y919 HydrophobicContact CD1-CE1 3.94Å; Y894-Y919 HydrophobicContact CG-CD1 4.2Å; Y894-A924 HydrophobicContact CD1-CB 3.94Å; Y894-A924 HydrophobicContact CE1-CB 3.89Å; Y894-A924 HydrophobicContact CG-CB 4.29Å; Y894-P925 HydrophobicContact CE2-CG 4.2Å; Y894-P925 WeakPolarHBondContact OH-CD 3.21Å; Y894-A928 HydrophobicContact CD2-CB 3.53Å; Y894-A928 HydrophobicContact CE2-CB 4.23Å; Y894-A928 HydrophobicContact CG-CB 3.91Å; Y894-L929 WeakPolarHBondContact CA-O 3.48Å
895	I	83.3	Confident	80.7	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-122.3	142.3	174.5	-162.4	163.8	0	0	0	109.8	L888 A889 E899 L900 M916 L929 Y931	L888-I895 HydrophobicContact CB-CD1 3.9Å; A889-I895 HydrophobicContact CB-CB 4.08Å; A889-I895 HydrophobicContact CB-CD1 4.3Å; A889-I895 HydrophobicContact CB-CG1 4.21Å; I895-E899 HydrophobicContact CD1-CB 4.43Å; I895-E899 HydrophobicContact CG1-CB 3.84Å; I895-L900 HydrophobicContact CD1-CD2 3.73Å; I895-L900 HydrophobicContact CD1-CG 3.93Å; I895-L900 HydrophobicContact CG1-CD2 4.4Å; I895-L900 HydrophobicContact CG1-CG 4.08Å; I895-L900 HydrophobicContact CG2-CD1 3.88Å; I895-L900 HydrophobicContact CG2-CD2 4.26Å; I895-L900 HydrophobicContact CG2-CG 3.97Å; I895-M916 HydrophobicContact CG2-SD 4.14Å; I895-L929 HydrophobicContact CG2-CB 4.28Å; I895-L929 PolarHBondContact N-O 3.31Å; I895-L929 WeakPolarHBondContact O-CA 3.22Å; I895-L929 WeakPolarHBondContact O-CB 3.47Å; I895-L929 PolarHBondContact O-N 2.82Å; I895-Y931 HydrophobicContact CB-CD1 4.02Å; I895-Y931 HydrophobicContact CG2-CD1 4.01Å
896	T	84.9	Confident	80.5	Confident	22 Å²	22	69.2 Å²	69.2	14%	0.135	36%	0.357	C	S	.	.			trans	-89.2	151.5	178	55.6	0	0	0	0	111.5	E898 E899 L900 P925	T896-E898 PolarHBondContact O-N 3.05Å; T896-E899 PolarHBondContact N-OE2 3.01Å; T896-E899 PolarHBondContact O-N 3.47Å; T896-E899 VanDerWaalsContact O-N 3.1Å; T896-E899 WeakPolarHBondContact OG1-CB 3.24Å; T896-E899 WeakPolarHBondContact OG1-CG 3.46Å; T896-E899 PolarHBondContact OG1-N 3.11Å; T896-E899 PolarHBondContact OG1-OE2 3.16Å; T896-L900 PolarHBondContact O-N 2.86Å; T896-P925 HydrophobicContact CG2-CG 4.45Å
897	P	82.4	Confident	80.4	Confident	18 Å²	18	73.7 Å²	73.7	12%	0.117	38%	0.377	C	S	.	.	H	α-helix	trans	-54.9	-34.9	173.7	-25.7	34.2	0	0	0	112.9	L900 R901 I913 G927 L929	P897-L900 PolarHBondContact O-N 2.96Å; P897-R901 WeakPolarHBondContact O-CB 3.45Å; P897-R901 WeakPolarHBondContact O-CG 3.38Å; P897-R901 PolarHBondContact O-N 3.44Å; P897-I913 HydrophobicContact CB-CD1 3.78Å; P897-I913 HydrophobicContact CB-CG1 3.93Å; P897-I913 HydrophobicContact CB-CG2 4.36Å; P897-G927 VanDerWaalsContact CD-O 3.24Å; P897-G927 WeakPolarHBondContact CD-O 3.36Å; P897-L929 HydrophobicContact CG-CD1 3.99Å; P897-L929 HydrophobicContact CG-CG 4.38Å
898	E	81.9	Confident	80.5	Confident	125 Å²	125	72.1 Å²	72.1	58%	0.584	37%	0.366	S	S	*	.	H	α-helix	trans	-68.5	-40.3	176.9	-65	69.5	-149.7	0	0	111.9	T896 R901 R902	T896-E898 PolarHBondContact O-N 3.05Å; E898-R901 PolarHBondContact O-N 3.21Å; E898-R902 WeakPolarHBondContact O-CB 3.06Å; E898-R902 PolarHBondContact O-N 2.93Å
899	E	82.3	Confident	80.6	Confident	28 Å²	28	69.8 Å²	69.8	13%	0.131	35%	0.354	C	S	.	.	H	α-helix	trans	-63.3	-44.4	173	-76.3	160.3	164.1	0	0	110.8	K892 I895 T896 R901 R902 E903	K892-E899 IonicContact NZ-OE1 2.8Å; K892-E899 PolarHBondContact NZ-OE1 3.27Å; I895-E899 HydrophobicContact CD1-CB 4.43Å; I895-E899 HydrophobicContact CG1-CB 3.84Å; T896-E899 PolarHBondContact N-OE2 3.01Å; T896-E899 PolarHBondContact O-N 3.47Å; T896-E899 VanDerWaalsContact O-N 3.1Å; T896-E899 WeakPolarHBondContact OG1-CB 3.24Å; T896-E899 WeakPolarHBondContact OG1-CG 3.46Å; T896-E899 PolarHBondContact OG1-N 3.11Å; T896-E899 PolarHBondContact OG1-OE2 3.16Å; E899-R901 PolarHBondContact O-N 3.33Å; E899-R902 PolarHBondContact O-N 3.5Å; E899-E903 WeakPolarHBondContact O-CG 3.45Å; E899-E903 PolarHBondContact O-N 3.22Å
900	L	80.8	Confident	81	Confident	1 Å²	1	74 Å²	74	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-62	-43.2	176	-75.6	169.2	0	0	0	112.5	F885 I895 T896 P897 R902 L904 A909 C912 I913 M916 L929	F885-L900 HydrophobicContact CD1-CD2 4.5Å; F885-L900 HydrophobicContact CE1-CD2 4.02Å; I895-L900 HydrophobicContact CD1-CD2 3.73Å; I895-L900 HydrophobicContact CD1-CG 3.93Å; I895-L900 HydrophobicContact CG1-CD2 4.4Å; I895-L900 HydrophobicContact CG1-CG 4.08Å; I895-L900 HydrophobicContact CG2-CD1 3.88Å; I895-L900 HydrophobicContact CG2-CD2 4.26Å; I895-L900 HydrophobicContact CG2-CG 3.97Å; T896-L900 PolarHBondContact O-N 2.86Å; P897-L900 PolarHBondContact O-N 2.96Å; L900-R902 VanDerWaalsContact C-N 3.27Å; L900-R902 PolarHBondContact O-N 3.3Å; L900-L904 HydrophobicContact CD2-CD1 3.7Å; L900-L904 WeakPolarHBondContact O-CB 3.49Å; L900-L904 PolarHBondContact O-N 3.47Å; L900-A909 HydrophobicContact CB-CB 4.49Å; L900-A909 WeakPolarHBondContact O-CB 3.35Å; L900-C912 HydrophobicContact CD1-CB 4.01Å; L900-C912 HydrophobicContact CD2-CB 4.2Å; L900-I913 HydrophobicContact CB-CD1 4.44Å; L900-I913 HydrophobicContact CB-CG1 4.31Å; L900-I913 HydrophobicContact CD1-CG1 3.82Å; L900-M916 HydrophobicContact CD1-SD 3.94Å; L900-L929 HydrophobicContact CD1-CD1 3.84Å
901	R	85.7	Confident	81.1	Confident	118 Å²	118	77.2 Å²	77.2	45%	0.445	37%	0.37	S	S	.	.	H	α-helix	trans	-68.5	-25.2	177.1	-74.8	-177.8	-174.3	119.6	0.5	113.3	P897 E898 E899 A909 E910 I913	P897-R901 WeakPolarHBondContact O-CB 3.45Å; P897-R901 WeakPolarHBondContact O-CG 3.38Å; P897-R901 PolarHBondContact O-N 3.44Å; E898-R901 PolarHBondContact O-N 3.21Å; E899-R901 PolarHBondContact O-N 3.33Å; R901-A909 HydrophobicContact CB-CB 4.43Å; R901-A909 HydrophobicContact CG-CB 4.02Å; R901-E910 IonicContact CZ-OE1 2.76Å; R901-E910 IonicContact NE-OE1 2.74Å; R901-E910 PolarHBondContact NE-OE1 3.45Å; R901-E910 IonicContact NH2-OE1 3.62Å; R901-E910 PolarHBondContact NH2-OE1 3.28Å; R901-E910 IonicContact NH2-OE2 3.87Å; R901-I913 HydrophobicContact CG-CD1 3.85Å
902	R	83.3	Confident	81.3	Confident	178 Å²	178	71.6 Å²	71.6	67%	0.672	34%	0.341	S	S	*	.	H	α-helix	trans	-79.4	-43.6	178	-168.4	-179.3	74.8	-158.8	-0.7	111.8	E898 E899 L900	E898-R902 WeakPolarHBondContact O-CB 3.06Å; E898-R902 PolarHBondContact O-N 2.93Å; E899-R902 PolarHBondContact O-N 3.5Å; L900-R902 VanDerWaalsContact C-N 3.27Å; L900-R902 PolarHBondContact O-N 3.3Å
903	E	81.8	Confident	81.4	Confident	92 Å²	92	69.2 Å²	69.2	43%	0.43	33%	0.332	S	S	.	.	H	α-helix	trans	-95	-21.4	-170.8	-56.1	-60.6	155.4	0	0	113.9	L888 E899	L888-E903 HydrophobicContact CD2-CB 3.31Å; L888-E903 HydrophobicContact CD2-CG 3.87Å; E899-E903 WeakPolarHBondContact O-CG 3.45Å; E899-E903 PolarHBondContact O-N 3.22Å
904	L	79.4	Confident	81.6	Confident	44 Å²	44	75.9 Å²	75.9	23%	0.23	35%	0.35	C	S	.	.	S	Bend	trans	-112.2	151.9	179.1	-63.6	173.5	0	0	0	112.3	F885 L900 Q908 A909	F885-L904 HydrophobicContact CE1-CD1 4.31Å; L900-L904 HydrophobicContact CD2-CD1 3.7Å; L900-L904 WeakPolarHBondContact O-CB 3.49Å; L900-L904 PolarHBondContact O-N 3.47Å; L904-Q908 HydrophobicContact CB-CB 4.46Å; L904-A909 HydrophobicContact CB-CB 4.21Å
905	P	78.3	Confident	81.5	Confident	83 Å²	83	81.7 Å²	81.7	54%	0.539	37%	0.372	S	S	.	.			trans	-60.6	146.5	172.9	-14.5	26.2	0	0	0	111.3	K907 Q908 A909	P905-K907 VanDerWaalsContact C-N 3.27Å; P905-K907 PolarHBondContact O-N 3.46Å; P905-Q908 PolarHBondContact O-N 3.19Å; P905-Q908 PolarHBondContact O-OE1 3.32Å; P905-A909 PolarHBondContact O-N 3.44Å
906	A	78.8	Confident	81.6	Confident	79 Å²	79	82.1 Å²	82.1	65%	0.653	37%	0.374	S	S	*	.	H	α-helix	trans	-53	-36.3	-163.8	0	0	0	0	0	115.3	E910	A906-E910 WeakPolarHBondContact O-CB 3.1Å; A906-E910 WeakPolarHBondContact O-CG 3.48Å; A906-E910 PolarHBondContact O-N 3.19Å; A906-E910 VanDerWaalsContact O-N 3.13Å
907	K	75.6	Confident	81.5	Confident	182 Å²	182	84.9 Å²	84.9	79%	0.791	39%	0.39	S	S	*	.	H	α-helix	trans	-69.8	-40.8	177.9	-87.3	-173.9	174	-179.4	0	112.6	P905 Y911	P905-K907 VanDerWaalsContact C-N 3.27Å; P905-K907 PolarHBondContact O-N 3.46Å; K907-Y911 WeakPolarHBondContact O-CB 3.4Å; K907-Y911 PolarHBondContact O-N 3.27Å
908	Q	79.6	Confident	81.4	Confident	103 Å²	103	88.4 Å²	88.4	48%	0.481	41%	0.413	S	S	.	.	H	α-helix	trans	-72.3	-40.7	179.7	-70.7	78.8	-4	0	0	110.5	L904 P905 Y911 C912	L904-Q908 HydrophobicContact CB-CB 4.46Å; P905-Q908 PolarHBondContact O-N 3.19Å; P905-Q908 PolarHBondContact O-OE1 3.32Å; Q908-Y911 PolarHBondContact O-N 2.77Å; Q908-C912 WeakPolarHBondContact O-CB 3.15Å; Q908-C912 PolarHBondContact O-N 3.46Å; Q908-C912 PolarHBondContact O-SG 3.21Å; Q908-C912 VanDerWaalsContact O-SG 3.38Å
909	A	81.5	Confident	81.4	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-57.4	-50.8	173.7	0	0	0	0	0	111.6	L900 R901 L904 P905 Y911 C912 I913	L900-A909 HydrophobicContact CB-CB 4.49Å; L900-A909 WeakPolarHBondContact O-CB 3.35Å; R901-A909 HydrophobicContact CB-CB 4.43Å; R901-A909 HydrophobicContact CG-CB 4.02Å; L904-A909 HydrophobicContact CB-CB 4.21Å; P905-A909 PolarHBondContact O-N 3.44Å; A909-Y911 VanDerWaalsContact C-N 3.33Å; A909-Y911 PolarHBondContact O-N 2.82Å; A909-C912 PolarHBondContact O-N 3.24Å; A909-I913 WeakPolarHBondContact O-CB 3.49Å; A909-I913 WeakPolarHBondContact O-CD1 3.35Å; A909-I913 WeakPolarHBondContact O-CG1 3.49Å; A909-I913 PolarHBondContact O-N 3.07Å
910	E	85.3	Confident	80.9	Confident	89 Å²	89	94.1 Å²	94.1	42%	0.416	43%	0.434	S	S	.	.	H	α-helix	trans	-64.4	-36.6	177.5	-74.1	-60.9	152.8	0	0	112.8	R901 A906 R914	R901-E910 IonicContact CZ-OE1 2.76Å; R901-E910 IonicContact NE-OE1 2.74Å; R901-E910 PolarHBondContact NE-OE1 3.45Å; R901-E910 IonicContact NH2-OE1 3.62Å; R901-E910 PolarHBondContact NH2-OE1 3.28Å; R901-E910 IonicContact NH2-OE2 3.87Å; A906-E910 WeakPolarHBondContact O-CB 3.1Å; A906-E910 WeakPolarHBondContact O-CG 3.48Å; A906-E910 PolarHBondContact O-N 3.19Å; A906-E910 VanDerWaalsContact O-N 3.13Å; E910-R914 VanDerWaalsContact O-CB 3.27Å; E910-R914 WeakPolarHBondContact O-CB 3.49Å; E910-R914 PolarHBondContact O-N 3.01Å
911	Y	78.9	Confident	80.4	Confident	122 Å²	122	95.5 Å²	95.5	48%	0.478	45%	0.449	S	S	.	.	H	α-helix	trans	-62.4	-47.8	174.8	-178.7	-98.4	0	0	0	111.8	K907 Q908 A909 R914 R915 F934	K907-Y911 WeakPolarHBondContact O-CB 3.4Å; K907-Y911 PolarHBondContact O-N 3.27Å; Q908-Y911 PolarHBondContact O-N 2.77Å; A909-Y911 VanDerWaalsContact C-N 3.33Å; A909-Y911 PolarHBondContact O-N 2.82Å; Y911-R914 PolarHBondContact O-N 3.43Å; Y911-R915 HydrophobicContact CD2-CG 4.45Å; Y911-R915 HydrophobicContact CE1-CG 4.31Å; Y911-R915 HydrophobicContact CE2-CG 4.07Å; Y911-R915 WeakPolarHBondContact O-CB 3.32Å; Y911-R915 WeakPolarHBondContact O-CG 3.38Å; Y911-R915 PolarHBondContact O-N 3.29Å; Y911-R915 VanDerWaalsContact O-N 3.08Å; Y911-F934 HydrophobicContact CD1-CZ 4.38Å; Y911-F934 HydrophobicContact CE1-CE2 4.31Å; Y911-F934 AromaticContact CE1-CZ 3.98Å; Y911-F934 HydrophobicContact CE1-CZ 3.98Å
912	C	81.3	Confident	79.2	Confident	10 Å²	10	96.3 Å²	96.3	7%	0.068	47%	0.473	C	S	.	.	H	α-helix	trans	-62.7	-45.7	176.5	-70.9	0	0	0	0	111.3	L900 Q908 A909 R914 R915 M916	L900-C912 HydrophobicContact CD1-CB 4.01Å; L900-C912 HydrophobicContact CD2-CB 4.2Å; Q908-C912 WeakPolarHBondContact O-CB 3.15Å; Q908-C912 PolarHBondContact O-N 3.46Å; Q908-C912 PolarHBondContact O-SG 3.21Å; Q908-C912 VanDerWaalsContact O-SG 3.38Å; A909-C912 PolarHBondContact O-N 3.24Å; C912-R914 VanDerWaalsContact C-N 3.25Å; C912-R914 PolarHBondContact O-N 3.12Å; C912-R915 PolarHBondContact O-N 2.94Å; C912-M916 HydrophobicContact CB-CE 4.05Å; C912-M916 HydrophobicContact CB-SD 4.14Å; C912-M916 WeakPolarHBondContact O-CB 3.44Å; C912-M916 WeakPolarHBondContact O-CG 3.45Å; C912-M916 PolarHBondContact O-N 3.13Å
913	I	83	Confident	78.4	Confident	30 Å²	30	91.4 Å²	91.4	15%	0.154	48%	0.478	C	S	.	.	H	α-helix	trans	-58.8	-39.1	178.3	-68.9	161.8	0	0	0	111.7	P897 L900 R901 A909 L929	P897-I913 HydrophobicContact CB-CD1 3.78Å; P897-I913 HydrophobicContact CB-CG1 3.93Å; P897-I913 HydrophobicContact CB-CG2 4.36Å; L900-I913 HydrophobicContact CB-CD1 4.44Å; L900-I913 HydrophobicContact CB-CG1 4.31Å; L900-I913 HydrophobicContact CD1-CG1 3.82Å; R901-I913 HydrophobicContact CG-CD1 3.85Å; A909-I913 WeakPolarHBondContact O-CB 3.49Å; A909-I913 WeakPolarHBondContact O-CD1 3.35Å; A909-I913 WeakPolarHBondContact O-CG1 3.49Å; A909-I913 PolarHBondContact O-N 3.07Å; I913-L929 HydrophobicContact CB-CD1 4.24Å; I913-L929 HydrophobicContact CG1-CD1 4.01Å; I913-L929 HydrophobicContact CG2-CD1 4.33Å
914	R	83	Confident	77.6	Confident	225 Å²	225	88.5 Å²	88.5	85%	0.849	47%	0.47	S	S	*	.	H	α-helix	trans	-77.4	-26.9	-177.8	-167.4	174.3	171.5	-167.7	-3	113.4	E910 Y911 C912	E910-R914 VanDerWaalsContact O-CB 3.27Å; E910-R914 WeakPolarHBondContact O-CB 3.49Å; E910-R914 PolarHBondContact O-N 3.01Å; Y911-R914 PolarHBondContact O-N 3.43Å; C912-R914 VanDerWaalsContact C-N 3.25Å; C912-R914 PolarHBondContact O-N 3.12Å
915	R	80.7	Confident	77.1	Confident	166 Å²	166	89.8 Å²	89.8	63%	0.626	48%	0.481	S	S	*	.	H	α-helix	trans	-101.9	-22.4	-175.9	-71.7	-70	-166.7	162.2	2.3	113.8	Y911 C912 F934	Y911-R915 HydrophobicContact CD2-CG 4.45Å; Y911-R915 HydrophobicContact CE1-CG 4.31Å; Y911-R915 HydrophobicContact CE2-CG 4.07Å; Y911-R915 WeakPolarHBondContact O-CB 3.32Å; Y911-R915 WeakPolarHBondContact O-CG 3.38Å; Y911-R915 PolarHBondContact O-N 3.29Å; Y911-R915 VanDerWaalsContact O-N 3.08Å; C912-R915 PolarHBondContact O-N 2.94Å; R915-F934 HydrophobicContact CB-CD2 3.84Å; R915-F934 HydrophobicContact CB-CE2 3.45Å; R915-F934 VanDerWaalsContact CB-CE2 3.45Å; R915-F934 HydrophobicContact CB-CZ 4.49Å; R915-F934 HydrophobicContact CG-CE2 4.34Å
916	M	85.7	Confident	76.6	Confident	9 Å²	9	91.3 Å²	91.3	4%	0.044	50%	0.5	C	S	.	.	S	Bend	trans	-77	136.5	174.6	-70.9	176.1	174.7	0	0	110.1	F885 I895 L900 C912 L929 Y931 F934	F885-M916 HydrophobicContact CD1-CE 4.1Å; F885-M916 HydrophobicContact CE1-CE 3.67Å; F885-M916 HydrophobicContact CE2-CE 4.23Å; F885-M916 HydrophobicContact CZ-CE 3.74Å; I895-M916 HydrophobicContact CG2-SD 4.14Å; L900-M916 HydrophobicContact CD1-SD 3.94Å; C912-M916 HydrophobicContact CB-CE 4.05Å; C912-M916 HydrophobicContact CB-SD 4.14Å; C912-M916 WeakPolarHBondContact O-CB 3.44Å; C912-M916 WeakPolarHBondContact O-CG 3.45Å; C912-M916 PolarHBondContact O-N 3.13Å; M916-L929 HydrophobicContact CB-CB 3.93Å; M916-L929 HydrophobicContact CB-CD1 4.31Å; M916-L929 HydrophobicContact CB-CD2 4.29Å; M916-L929 HydrophobicContact CB-CG 4.42Å; M916-L929 HydrophobicContact SD-CB 4.43Å; M916-Y931 VanDerWaalsContact CE-CB 3.5Å; M916-F934 HydrophobicContact CE-CB 4.15Å; M916-F934 HydrophobicContact CE-CD1 3.37Å; M916-F934 HydrophobicContact CE-CE1 3.92Å; M916-F934 HydrophobicContact CE-CG 3.89Å; M916-F934 HydrophobicContact CG-CB 3.59Å; M916-F934 HydrophobicContact CG-CD1 4.13Å; M916-F934 HydrophobicContact CG-CD2 4.06Å; M916-F934 HydrophobicContact CG-CG 3.66Å
917	V	81.5	Confident	76.4	Confident	80 Å²	80	90 Å²	90	49%	0.485	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	150.3	177.1	-70.5	0	0	0	0	110.4	Y919 L929 D930 A933	V917-Y919 PolarHBondContact O-N 3.08Å; V917-L929 WeakPolarHBondContact O-CA 3.38Å; V917-D930 HydrophobicContact CG2-CB 4.16Å; V917-D930 PolarHBondContact O-N 2.8Å; V917-A933 HydrophobicContact CG2-CB 4.09Å
918	P	80.8	Confident	76.6	Confident	92 Å²	92	81.5 Å²	81.5	60%	0.597	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	134.8	175.8	-20.2	31.1	0	0	0	111.8	A928	P918-A928 CarbonylContact C-O 3.57Å; P918-A928 WeakPolarHBondContact CA-O 3.41Å
919	Y	81.6	Confident	76.8	Confident	67 Å²	67	77.1 Å²	77.1	26%	0.263	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-72.7	129.4	179.9	-175.1	-101.9	0	0	0	111.2	N893 Y894 V917 A924 A928 D930	N893-Y919 HydrophobicContact CB-CE2 4.25Å; N893-Y919 VanDerWaalsContact O-CE2 3.3Å; N893-Y919 WeakPolarHBondContact O-CE2 3.36Å; Y894-Y919 HydrophobicContact CD1-CD1 4.01Å; Y894-Y919 AromaticContact CD1-CE1 3.94Å; Y894-Y919 HydrophobicContact CD1-CE1 3.94Å; Y894-Y919 HydrophobicContact CG-CD1 4.2Å; V917-Y919 PolarHBondContact O-N 3.08Å; Y919-A924 HydrophobicContact CD1-CB 3.86Å; Y919-A924 HydrophobicContact CE1-CB 4.36Å; Y919-A928 PolarHBondContact N-O 2.8Å; Y919-D930 HydrophobicContact CD2-CB 4.11Å
920	K	71.4	Confident	77.1	Confident	206 Å²	206	78.8 Å²	78.8	90%	0.896	45%	0.447	S	S	*	.			trans	-103	8.7	-172	-66.2	-174.3	180	176.9	0	115.4
921	G	70.8	Confident	76.9	Confident	31 Å²	31	74.6 Å²	74.6	32%	0.32	43%	0.427	S	S	.	.	S	Bend	trans	-81.2	148.9	-178.7	0	0	0	0	0	114.6
922	S	61.4	Low	77.1	Confident	134 Å²	134	71.6 Å²	71.6	94%	0.937	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	131.4	178.4	54.7	0	0	0	0	111.9
923	G	66.3	Low	76.9	Confident	76 Å²	76	73.2 Å²	73.2	78%	0.784	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	5.5	179	0	0	0	0	0	116
924	A	64.3	Low	76.8	Confident	31 Å²	31	72.9 Å²	72.9	26%	0.256	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-91.4	141.8	173.6	0	0	0	0	0	112.2	Y894 Y919 A928	Y894-A924 HydrophobicContact CD1-CB 3.94Å; Y894-A924 HydrophobicContact CE1-CB 3.89Å; Y894-A924 HydrophobicContact CG-CB 4.29Å; Y919-A924 HydrophobicContact CD1-CB 3.86Å; Y919-A924 HydrophobicContact CE1-CB 4.36Å; A924-A928 HydrophobicContact CB-CB 4.02Å
925	P	70.5	Confident	76.5	Confident	71 Å²	71	62.2 Å²	62.2	46%	0.461	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-64.7	152.3	172.7	26.1	-31.4	0	0	0	111.3	Y894 T896 G927 A928	Y894-P925 HydrophobicContact CE2-CG 4.2Å; Y894-P925 WeakPolarHBondContact OH-CD 3.21Å; T896-P925 HydrophobicContact CG2-CG 4.45Å; P925-G927 PolarHBondContact O-N 2.93Å; P925-G927 VanDerWaalsContact O-N 3.14Å; P925-A928 PolarHBondContact O-N 2.84Å
926	A	66.6	Low	76.1	Confident	115 Å²	115	57.2 Å²	57.2	95%	0.95	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	117.9	179	0	0	0	0	0	110.4
927	G	74.9	Confident	75.4	Confident	50 Å²	50	60.2 Å²	60.2	52%	0.515	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	110	2.3	179.8	0	0	0	0	0	116.3	P897 P925	P897-G927 VanDerWaalsContact CD-O 3.24Å; P897-G927 WeakPolarHBondContact CD-O 3.36Å; P925-G927 PolarHBondContact O-N 2.93Å; P925-G927 VanDerWaalsContact O-N 3.14Å
928	A	80.2	Confident	74.7	Confident	4 Å²	4	60.7 Å²	60.7	3%	0.033	41%	0.409	C	S	.	.			trans	-65.9	146.5	176.4	0	0	0	0	0	113.7	Y894 P918 Y919 A924 P925	Y894-A928 HydrophobicContact CD2-CB 3.53Å; Y894-A928 HydrophobicContact CE2-CB 4.23Å; Y894-A928 HydrophobicContact CG-CB 3.91Å; P918-A928 CarbonylContact C-O 3.57Å; P918-A928 WeakPolarHBondContact CA-O 3.41Å; Y919-A928 PolarHBondContact N-O 2.8Å; A924-A928 HydrophobicContact CB-CB 4.02Å; P925-A928 PolarHBondContact O-N 2.84Å
929	L	83.9	Confident	74	Confident	12 Å²	12	62 Å²	62	6%	0.063	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.5	-174.7	-61.7	170.3	0	0	0	112.3	Y894 I895 P897 L900 I913 M916 V917	Y894-L929 WeakPolarHBondContact CA-O 3.48Å; I895-L929 HydrophobicContact CG2-CB 4.28Å; I895-L929 PolarHBondContact N-O 3.31Å; I895-L929 WeakPolarHBondContact O-CA 3.22Å; I895-L929 WeakPolarHBondContact O-CB 3.47Å; I895-L929 PolarHBondContact O-N 2.82Å; P897-L929 HydrophobicContact CG-CD1 3.99Å; P897-L929 HydrophobicContact CG-CG 4.38Å; L900-L929 HydrophobicContact CD1-CD1 3.84Å; I913-L929 HydrophobicContact CB-CD1 4.24Å; I913-L929 HydrophobicContact CG1-CD1 4.01Å; I913-L929 HydrophobicContact CG2-CD1 4.33Å; M916-L929 HydrophobicContact CB-CB 3.93Å; M916-L929 HydrophobicContact CB-CD1 4.31Å; M916-L929 HydrophobicContact CB-CD2 4.29Å; M916-L929 HydrophobicContact CB-CG 4.42Å; M916-L929 HydrophobicContact SD-CB 4.43Å; V917-L929 WeakPolarHBondContact O-CA 3.38Å
930	D	86.9	Confident	72.4	Confident	35 Å²	35	60.4 Å²	60.4	19%	0.187	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	105.1	179.9	-170.3	-23.7	0	0	0	111.2	V917 Y919 V932 A933	V917-D930 HydrophobicContact CG2-CB 4.16Å; V917-D930 PolarHBondContact O-N 2.8Å; Y919-D930 HydrophobicContact CD2-CB 4.11Å; D930-V932 WeakPolarHBondContact OD1-CB 3.36Å; D930-V932 PolarHBondContact OD1-N 2.82Å; D930-A933 HydrophobicContact CB-CB 4.44Å; D930-A933 PolarHBondContact OD1-N 3.42Å; D930-A933 VanDerWaalsContact OD1-N 3.08Å
931	Y	81.8	Confident	71.6	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	41%	0.406	C	S	.	.	H	α-helix	trans	-83.6	-15.1	178.8	63.5	-100.5	0	0	0	113.5	V882 F885 K886 A889 K892 I895 M916 S935	V882-Y931 HydrophobicContact CG1-CE2 4.35Å; F885-Y931 HydrophobicContact CB-CD1 4.28Å; F885-Y931 HydrophobicContact CB-CD2 3.2Å; F885-Y931 HydrophobicContact CB-CE2 3.73Å; F885-Y931 HydrophobicContact CB-CG 3.52Å; F885-Y931 HydrophobicContact CG-CD2 4.12Å; F885-Y931 HydrophobicContact CG-CG 4.15Å; K886-Y931 WeakPolarHBondContact CA-OH 3.46Å; K886-Y931 HydrophobicContact CB-CE2 4.23Å; K886-Y931 WeakPolarHBondContact CB-OH 3.44Å; K886-Y931 WeakPolarHBondContact CG-OH 3.49Å; A889-Y931 HydrophobicContact CB-CD1 4.48Å; A889-Y931 HydrophobicContact CB-CE1 3.77Å; K892-Y931 PolarHBondContact O-OH 2.79Å; K892-Y931 VanDerWaalsContact O-OH 3.06Å; I895-Y931 HydrophobicContact CB-CD1 4.02Å; I895-Y931 HydrophobicContact CG2-CD1 4.01Å; M916-Y931 VanDerWaalsContact CE-CB 3.5Å; Y931-S935 PolarHBondContact O-N 3.32Å; Y931-S935 PolarHBondContact O-OG 3.19Å
932	V	81.5	Confident	69.9	Low	59 Å²	59	63.1 Å²	63.1	36%	0.358	43%	0.425	S	S	.	.	H	α-helix	trans	-73.9	-49.2	178.9	-179.2	0	0	0	0	108.9	V882 D930 F934 S935 S936	V882-V932 HydrophobicContact CG1-CG2 4.19Å; D930-V932 WeakPolarHBondContact OD1-CB 3.36Å; D930-V932 PolarHBondContact OD1-N 2.82Å; V932-F934 PolarHBondContact O-N 3.47Å; V932-S935 PolarHBondContact O-N 3.38Å; V932-S936 PolarHBondContact O-N 3.31Å; V932-S936 VanDerWaalsContact O-N 3.12Å; V932-S936 PolarHBondContact O-OG 3.14Å
933	A	78.7	Confident	68.5	Low	44 Å²	44	64.6 Å²	64.6	36%	0.364	42%	0.423	S	S	.	.	H	α-helix	trans	-58.2	-37.6	174.7	0	0	0	0	0	112.2	V917 D930 A937	V917-A933 HydrophobicContact CG2-CB 4.09Å; D930-A933 HydrophobicContact CB-CB 4.44Å; D930-A933 PolarHBondContact OD1-N 3.42Å; D930-A933 VanDerWaalsContact OD1-N 3.08Å; A933-A937 WeakPolarHBondContact O-CB 3.43Å; A933-A937 PolarHBondContact O-N 3.3Å; A933-A937 VanDerWaalsContact O-N 3.13Å
934	F	81	Confident	66.8	Low	23 Å²	23	72.6 Å²	72.6	10%	0.101	45%	0.446	C	S	.	.	H	α-helix	trans	-68.5	-41.6	178	173.9	-102.5	0	0	0	113.3	F885 Y911 R915 M916 V932 A937 L938	F885-F934 HydrophobicContact CE2-CD1 4.48Å; F885-F934 HydrophobicContact CE2-CE1 4.45Å; F885-F934 HydrophobicContact CZ-CE1 4.44Å; Y911-F934 HydrophobicContact CD1-CZ 4.38Å; Y911-F934 HydrophobicContact CE1-CE2 4.31Å; Y911-F934 AromaticContact CE1-CZ 3.98Å; Y911-F934 HydrophobicContact CE1-CZ 3.98Å; R915-F934 HydrophobicContact CB-CD2 3.84Å; R915-F934 HydrophobicContact CB-CE2 3.45Å; R915-F934 VanDerWaalsContact CB-CE2 3.45Å; R915-F934 HydrophobicContact CB-CZ 4.49Å; R915-F934 HydrophobicContact CG-CE2 4.34Å; M916-F934 HydrophobicContact CE-CB 4.15Å; M916-F934 HydrophobicContact CE-CD1 3.37Å; M916-F934 HydrophobicContact CE-CE1 3.92Å; M916-F934 HydrophobicContact CE-CG 3.89Å; M916-F934 HydrophobicContact CG-CB 3.59Å; M916-F934 HydrophobicContact CG-CD1 4.13Å; M916-F934 HydrophobicContact CG-CD2 4.06Å; M916-F934 HydrophobicContact CG-CG 3.66Å; V932-F934 PolarHBondContact O-N 3.47Å; F934-A937 PolarHBondContact O-N 3.31Å; F934-L938 HydrophobicContact CD1-CD1 4.42Å; F934-L938 HydrophobicContact CD2-CD1 4.15Å; F934-L938 HydrophobicContact CE1-CD1 3.83Å; F934-L938 HydrophobicContact CE2-CD1 3.48Å; F934-L938 VanDerWaalsContact CE2-CD1 3.48Å; F934-L938 HydrophobicContact CZ-CD1 3.32Å; F934-L938 PolarHBondContact O-N 3.15Å
935	S	76.6	Confident	66.9	Low	1 Å²	1	74.7 Å²	74.7	1%	0.007	46%	0.456	C	S	.	.	H	α-helix	trans	-68.3	-39.3	-179.9	-55.9	0	0	0	0	111.5	Y931 V932 A937 L938 Y939	Y931-S935 PolarHBondContact O-N 3.32Å; Y931-S935 PolarHBondContact O-OG 3.19Å; V932-S935 PolarHBondContact O-N 3.38Å; S935-A937 VanDerWaalsContact C-N 3.31Å; S935-A937 PolarHBondContact O-N 3.14Å; S935-L938 PolarHBondContact O-N 3.47Å; S935-Y939 PolarHBondContact O-N 3.07Å
936	S	72.6	Confident	66.7	Low	61 Å²	61	74.9 Å²	74.9	43%	0.427	46%	0.455	S	S	.	.	H	α-helix	trans	-65.7	-31.2	172.7	-61.2	0	0	0	0	112.9	V932 L938 G940	V932-S936 PolarHBondContact O-N 3.31Å; V932-S936 VanDerWaalsContact O-N 3.12Å; V932-S936 PolarHBondContact O-OG 3.14Å; S936-L938 VanDerWaalsContact C-N 3.34Å; S936-G940 WeakPolarHBondContact O-CA 3.3Å; S936-G940 PolarHBondContact O-N 3.11Å
937	A	70.9	Confident	66.8	Low	71 Å²	71	72.7 Å²	72.7	59%	0.587	43%	0.428	S	S	*	.	H	α-helix	trans	-75.6	-20.6	175.9	0	0	0	0	0	113.7	A933 F934 S935	A933-A937 WeakPolarHBondContact O-CB 3.43Å; A933-A937 PolarHBondContact O-N 3.3Å; A933-A937 VanDerWaalsContact O-N 3.13Å; F934-A937 PolarHBondContact O-N 3.31Å; S935-A937 VanDerWaalsContact C-N 3.31Å; S935-A937 PolarHBondContact O-N 3.14Å
938	L	65.1	Low	66.3	Low	90 Å²	90	74 Å²	74	47%	0.471	42%	0.423	S	S	.	.	H	α-helix	trans	-84.1	-29.1	-180	-121.4	101.7	0	0	0	113.3	F934 S935 S936	F934-L938 HydrophobicContact CD1-CD1 4.42Å; F934-L938 HydrophobicContact CD2-CD1 4.15Å; F934-L938 HydrophobicContact CE1-CD1 3.83Å; F934-L938 HydrophobicContact CE2-CD1 3.48Å; F934-L938 VanDerWaalsContact CE2-CD1 3.48Å; F934-L938 HydrophobicContact CZ-CD1 3.32Å; F934-L938 PolarHBondContact O-N 3.15Å; S935-L938 PolarHBondContact O-N 3.47Å; S936-L938 VanDerWaalsContact C-N 3.34Å
939	Y	66.6	Low	65.4	Low	121 Å²	121	78.4 Å²	78.4	48%	0.475	45%	0.447	S	S	.	.	H	α-helix	trans	-128	-5.7	-174.4	-65.5	-82.6	0	0	0	113.8	T878 V881 S935	T878-Y939 WeakPolarHBondContact OG1-CB 3.46Å; V881-Y939 HydrophobicContact CB-CE2 4.38Å; V881-Y939 HydrophobicContact CG1-CE2 4.43Å; V881-Y939 HydrophobicContact CG2-CD2 4.48Å; V881-Y939 HydrophobicContact CG2-CE2 3.79Å; S935-Y939 PolarHBondContact O-N 3.07Å
940	G	48.9	Very low	64.2	Low	33 Å²	33	82.8 Å²	82.8	34%	0.34	47%	0.473	S	S	.	.	S	Bend	trans	-86.2	124.1	174.6	0	0	0	0	0	111	S936 S942	S936-G940 WeakPolarHBondContact O-CA 3.3Å; S936-G940 PolarHBondContact O-N 3.11Å; G940-S942 PolarHBondContact O-N 3.06Å
941	E	55	Low	62.5	Low	191 Å²	191	86.2 Å²	86.2	89%	0.893	49%	0.493	S	S	*	.			trans	-46.3	106	169.2	-67.9	176.4	157.3	0	0	109.6
942	S	33.7	Very low	61.1	Low	102 Å²	102	92.8 Å²	92.8	71%	0.713	53%	0.531	S	S	*	.			trans	-91.7	101.4	167.3	-60.1	0	0	0	0	106.1	G940 L944	G940-S942 PolarHBondContact O-N 3.06Å; S942-L944 PolarHBondContact O-N 3.08Å
943	D	32.5	Very low	59.4	Low	166 Å²	166	95.6 Å²	95.6	89%	0.888	55%	0.545	S	S	*	.			trans	-46.2	109.6	170.6	-78.5	-40.5	0	0	0	110.6
944	L	30.7	Very low	57.6	Low	244 Å²	244	100.3 Å²	100.3	100%	1.277	56%	0.562	S	S	*	*			trans	-142	0	155.7	-106.3	169.1	0	0	0	109.2	S942	S942-L944 PolarHBondContact O-N 3.08Å

Retrieved 944 of 944 residues in 354.5 ms (Link to these results)

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