A0A061I5Y5_CRIGR Loading...

U2 snRNP-associated SURP motif-containing protein

AlphaFold DB , UniProt , Accession A0A061I5Y5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene U2surp, Length 1,028 aa.

						>A0A061I5Y5_CRIGR|A0A061I5Y5|U2surp
MADKTPGGSQKASSKSRSSDVHSSGSSDAHMDASGPSDSDMPSRTRPKSPRKHNYRNESTRESLCDSPHQNLSRPLLENKLKAFSIGKMSTAKRTLSKKEQEELKKKEDEKAAAEIYEEFLAAFEGSDGNKVKTFVRGGVVNAAKDEHETDEKRGKIYKPSSRFADQKNPPNQSSNERPPSLLVIETKKPPLKKGEKEKKKSNLELFKEELKQIQEERDERHKTKGRLSRFEPPQSDSDGQRRSMDVPSRRNRSSVLDDYAPGSHDVGDPSTTNLYLGNINPQMNEEMLCQEFGRFGPLASVKIMWPRTDEERARERNCGFVAFMNRRDAERALKNLNGKMIMSFEMKLGWGKAVPIPPHPIYIPPSMMEHTLPPPPSGLPFNAQPRERLKNPNAPMLPPPKNKEDFEKTLSQAIVKVVIPTERNLLALIHRMIEFVVREGPMFEAMIMNREINNPMFRFLFENQTPAHVYYRWKLYSILQGDSPTKWRTEDFRMFKNGSFWRPPPLNPYLHGMSEEQEAEAFVEEPSKKGALKEEQRDKLEEILRGLTPRKNDIGDAMVFCLNNAEAAEEIVDCITESLSILKTPLPKKIARLYLVSDVLYNSSAKVANASYYRKFFETKLCQIFSDLNATYRTIQGHLQSENFKQRVMTCFRAWEDWAIYPEPFLIKLQNIFLGLVNIIEEKETEDVPDDLDGAPIEEELDGAPLEDVDGIPIDATPIDDLDGVPIKSLDDDLDGVPLDATEDSKKNEPIFKVAPSKWEAVDESELEAQAVTTSKWELFDQHEESEEEENQNQEEESEDEEDTQSSKSEEHHLYSNPVREEMTESKFSKYSEMSEEKRAKLREIELKVMKFQDELESGKRPKKPGQSFQEQVEHYRDKLLQREKEKELERERERDKKDKEKLESRSKDKKEKDECTPTRKERKRRHSTSPSPSRSSSGRRVKSPSPKSERSERSERSHKESSRSRSSHKDSPRDASKKAKRSPSGSRTPKRSRRSRSRSPKKSGKKSRSQSRSPHRSHKKSKKNKH
					

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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	31.7	Very low	37.3	Very low	250 Å²	250	132.7 Å²	132.7	100%	1.232	79%	0.793	S	S	*	*				0	154.9	0	-74.9	161.2	164.9	0	0	108.1
2	A	34.6	Very low	37	Very low	89 Å²	89	129.4 Å²	129.4	74%	0.736	79%	0.791	S	S	*	*			trans	-70.3	173.7	175.7	0	0	0	0	0	110.8
3	D	35.1	Very low	36.5	Very low	122 Å²	122	128.3 Å²	128.3	65%	0.652	79%	0.792	S	S	*	*			cis	-162.9	176.4	26.5	-133.2	-21.2	0	0	0	108.2
4	K	37.1	Very low	36.2	Very low	165 Å²	165	125.5 Å²	125.5	72%	0.717	78%	0.78	S	S	*	*			cis	-155.4	179.5	3.9	-156.5	148.8	-155.2	110.9	0	112.1
5	T	46.3	Very low	35.9	Very low	123 Å²	123	130.6 Å²	130.6	76%	0.755	79%	0.786	S	S	*	*			trans	-101.8	-168.7	172.1	46.5	0	0	0	0	110.1
6	P	63.8	Low	35.5	Very low	126 Å²	126	128.6 Å²	128.6	82%	0.818	78%	0.78	S	S	*	*			cis	-153.6	178.8	23.2	45.7	-23.2	0	0	0	122.1
7	G	28	Very low	35.2	Very low	83 Å²	83	135.2 Å²	135.2	86%	0.856	79%	0.788	S	S	*	*			trans	98.8	131.3	163.4	0	0	0	0	0	114.7
8	G	31.5	Very low	34.8	Very low	72 Å²	72	133.9 Å²	133.9	74%	0.742	79%	0.787	S	S	*	*			cis	172.6	-178.4	-0.7	0	0	0	0	0	107.9
9	S	35.3	Very low	34.7	Very low	112 Å²	112	131.2 Å²	131.2	78%	0.783	78%	0.777	S	S	*	*			cis	-175.1	166.1	-16.8	-78.2	0	0	0	0	106.2
10	Q	34	Very low	34.5	Very low	142 Å²	142	131.6 Å²	131.6	66%	0.664	78%	0.775	S	S	*	*			cis	-161.5	164.6	4.6	-134.3	179.2	90.6	0	0	110.4
11	K	33.2	Very low	34.4	Very low	176 Å²	176	132 Å²	132	77%	0.765	78%	0.778	S	S	*	*			trans	64	103.7	150.3	-78.2	172	175.6	146.8	0	123.7
12	A	34	Very low	34.4	Very low	93 Å²	93	128.6 Å²	128.6	77%	0.769	76%	0.759	S	S	*	*				88.1	141.4	101.6	0	0	0	0	0	124.2
13	S	30.7	Very low	34.2	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	76%	0.762	S	S	*	*			trans	69.6	145.5	160.4	-88.5	0	0	0	0	121
14	S	31.6	Very low	34.1	Very low	89 Å²	89	129.6 Å²	129.6	62%	0.622	77%	0.77	S	S	*	*			cis	-176.9	139.5	-24.1	48.7	0	0	0	0	112.4
15	K	31.6	Very low	33.7	Very low	202 Å²	202	125.7 Å²	125.7	88%	0.878	78%	0.777	S	S	*	*			trans	63.1	156.6	155.6	-70.9	178.9	179	179	0	117.4
16	S	30.1	Very low	33.1	Very low	99 Å²	99	125.3 Å²	125.3	69%	0.692	78%	0.779	S	S	*	*			cis	-169.2	162	-19.4	48.9	0	0	0	0	110.5
17	R	29.9	Very low	31.6	Very low	240 Å²	240	124.2 Å²	124.2	91%	0.906	77%	0.774	S	S	*	*			trans	19.8	138.1	149	-69.5	-179.9	171.7	178.5	-5.7	118.8
18	S	28.5	Very low	31.8	Very low	112 Å²	112	127.6 Å²	127.6	78%	0.783	77%	0.773	S	S	*	*				-166.6	173.9	51.6	-134.4	0	0	0	0	113.9
19	S	32.2	Very low	31.9	Very low	83 Å²	83	128.4 Å²	128.4	58%	0.58	77%	0.772	S	S	*	*			trans	-95.9	179.5	166.1	46.7	0	0	0	0	112.3
20	D	30.9	Very low	31.9	Very low	139 Å²	139	131.3 Å²	131.3	74%	0.743	77%	0.773	S	S	*	*			trans	78.8	125.3	157	-44.4	-55.5	0	0	0	119.7
21	V	32.4	Very low	32	Very low	139 Å²	139	132.3 Å²	132.3	84%	0.842	78%	0.78	S	S	*	*				163.1	148.2	108.6	164.8	0	0	0	0	110.8
22	H	31.7	Very low	31.8	Very low	179 Å²	179	131 Å²	131	83%	0.829	78%	0.781	S	S	*	*			trans	-61.4	164.1	175.1	-54.6	-76.2	0	0	0	112.4
23	S	29.6	Very low	32	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	78%	0.775	S	S	*	*				-176.6	171.6	59.6	-166.8	0	0	0	0	112.1
24	S	34.5	Very low	32	Very low	119 Å²	119	131 Å²	131	83%	0.832	78%	0.78	S	S	*	*			trans	-74.1	148.3	173.3	49.3	0	0	0	0	113.6
25	G	28.6	Very low	32.1	Very low	82 Å²	82	130.2 Å²	130.2	85%	0.845	79%	0.786	S	S	*	*			trans	-151.8	151.9	170.2	0	0	0	0	0	109.8
26	S	33.1	Very low	33.4	Very low	116 Å²	116	126.7 Å²	126.7	81%	0.811	78%	0.784	S	S	*	*			trans	-131.1	176.7	-171.3	-164.4	0	0	0	0	112.1
27	S	32.9	Very low	33.7	Very low	102 Å²	102	126.6 Å²	126.6	71%	0.713	78%	0.783	S	S	*	*			trans	70.4	122.7	166.8	60.5	0	0	0	0	120.7
28	D	32.2	Very low	34	Very low	155 Å²	155	121.7 Å²	121.7	83%	0.829	78%	0.775	S	S	*	*			trans	78.4	141.8	130.8	-92.5	-58.7	0	0	0	126.4
29	A	32.4	Very low	34.2	Very low	88 Å²	88	121 Å²	121	73%	0.727	77%	0.77	S	S	*	*			trans	60.3	171.8	149.1	0	0	0	0	0	121.9
30	H	35.4	Very low	34.3	Very low	174 Å²	174	124.8 Å²	124.8	81%	0.806	78%	0.784	S	S	*	*				-169	166.3	-65.3	-128.9	-41.1	0	0	0	109.7
31	M	35.9	Very low	34.2	Very low	163 Å²	163	125.8 Å²	125.8	80%	0.803	79%	0.786	S	S	*	*			trans	68.9	162.1	171.4	-50.8	-157.2	173.7	0	0	116.2
32	D	29.6	Very low	35	Very low	149 Å²	149	123.9 Å²	123.9	80%	0.797	78%	0.776	S	S	*	*			cis	-138.4	175.7	13.9	-88.8	-55.5	0	0	0	111
33	A	37.7	Very low	34.9	Very low	77 Å²	77	120.3 Å²	120.3	64%	0.636	77%	0.771	S	S	*	*			cis	-176.7	166.2	-36.4	0	0	0	0	0	111.1
34	S	32.3	Very low	34.9	Very low	131 Å²	131	125.4 Å²	125.4	92%	0.916	77%	0.773	S	S	*	*			trans	90.3	141.1	166.4	-47.3	0	0	0	0	120.2
35	G	33.6	Very low	34.6	Very low	72 Å²	72	125.5 Å²	125.5	74%	0.742	77%	0.769	S	S	*	*			trans	-113.2	-144.8	-179.2	0	0	0	0	0	114.1
36	P	57.1	Low	34.7	Very low	128 Å²	128	132.9 Å²	132.9	83%	0.831	77%	0.771	S	S	*	*			cis	-139.4	-159.1	22.9	44.9	-25.1	0	0	0	117
37	S	37.8	Very low	35.1	Very low	96 Å²	96	132.6 Å²	132.6	67%	0.671	77%	0.767	S	S	*	*			trans	-29.3	168.3	177.7	63.2	0	0	0	0	121
38	D	35.2	Very low	34.9	Very low	138 Å²	138	137.4 Å²	137.4	74%	0.738	78%	0.775	S	S	*	*			cis	-167.8	171.1	44.5	-131.3	-45.8	0	0	0	118.6
39	S	32.4	Very low	34.7	Very low	97 Å²	97	135.9 Å²	135.9	68%	0.678	78%	0.776	S	S	*	*			trans	62.8	133.6	149.7	65.3	0	0	0	0	125.2
40	D	36	Very low	35.2	Very low	162 Å²	162	137.6 Å²	137.6	87%	0.866	78%	0.78	S	S	*	*			trans	104.1	153	130.5	-109.5	-27.8	0	0	0	125.5
41	M	28.3	Very low	34.7	Very low	161 Å²	161	139.8 Å²	139.8	79%	0.793	78%	0.781	S	S	*	*			trans	-119.9	-171.9	-178.5	-114.2	-111.1	-164.9	0	0	109
42	P	48.8	Very low	34.5	Very low	99 Å²	99	138.5 Å²	138.5	64%	0.643	77%	0.771	S	S	*	*			cis	-134	175.8	-4.9	40.8	-24	0	0	0	116.9
43	S	30.3	Very low	34.6	Very low	103 Å²	103	139.3 Å²	139.3	72%	0.72	77%	0.77	S	S	*	*			trans	76.8	153.6	152.1	86.5	0	0	0	0	118.6
44	R	28.5	Very low	34.3	Very low	222 Å²	222	141.2 Å²	141.2	84%	0.838	77%	0.769	S	S	*	*			cis	-150.3	102.3	10.7	-148.3	170.3	-168.3	-164.1	5.5	114.3
45	T	28.6	Very low	34.3	Very low	120 Å²	120	145 Å²	145	74%	0.736	77%	0.765	S	S	*	*			trans	54.1	139.4	136.5	64.7	0	0	0	0	125.1
46	R	30.8	Very low	34.1	Very low	237 Å²	237	150.7 Å²	150.7	89%	0.894	76%	0.764	S	S	*	*			trans	74.2	151.8	144.4	-84.3	-169.4	155	-154.5	-3.6	119.8
47	P	41.9	Very low	32.8	Very low	111 Å²	111	151.8 Å²	151.8	72%	0.721	76%	0.763	S	S	*	*			cis	-138.6	158.6	-40	35.4	-18	0	0	0	115.2
48	K	28	Very low	32.4	Very low	202 Å²	202	155.2 Å²	155.2	88%	0.878	77%	0.768	S	S	*	*			trans	-95.6	152	151.1	-67.6	-179.2	178.8	179	0	109.4
49	S	28.7	Very low	32.1	Very low	124 Å²	124	154.4 Å²	154.4	87%	0.867	77%	0.774	S	S	*	*			trans	-171.9	147.9	136.1	-84.7	0	0	0	0	112.7
50	P	41.7	Very low	32	Very low	124 Å²	124	156 Å²	156	81%	0.805	78%	0.779	S	S	*	*			trans	-121.7	-173.5	-172.9	43.1	-30.5	0	0	0	114.9
51	R	25.4	Very low	31.8	Very low	220 Å²	220	158.1 Å²	158.1	83%	0.83	78%	0.775	S	S	*	*			trans	-126.7	148.2	157.7	-76.4	-174.6	167.7	-174.5	-0.3	107.1
52	K	31.3	Very low	31.8	Very low	135 Å²	135	157.1 Å²	157.1	59%	0.587	77%	0.768	S	S	*	*			cis	-165.8	151.5	-1	-123.8	179.8	170.6	-164.7	0	109.9
53	H	33.2	Very low	30.9	Very low	167 Å²	167	156.6 Å²	156.6	77%	0.773	77%	0.767	S	S	*	*			trans	65.9	152.2	146.3	-65.7	-16.6	0	0	0	118.7
54	N	31.1	Very low	30.9	Very low	116 Å²	116	159.4 Å²	159.4	62%	0.62	77%	0.773	S	S	*	*			cis	-156.6	-176.7	-5.7	-125.4	-3.8	0	0	0	113.2
55	Y	30.8	Very low	30.9	Very low	212 Å²	212	154 Å²	154	83%	0.831	77%	0.768	S	S	*	*			trans	77.9	149.7	173.6	-60.2	-89.8	0	0	0	116.5
56	R	29.6	Very low	30.9	Very low	190 Å²	190	154.7 Å²	154.7	72%	0.717	77%	0.767	S	S	*	*			cis	176.6	120.4	-41.9	165.7	178.4	-177.2	179.4	2.1	105.6
57	N	30.7	Very low	30.9	Very low	152 Å²	152	148 Å²	148	81%	0.813	76%	0.756	S	S	*	*			trans	-175.9	168.6	144.8	-95.1	-10.1	0	0	0	110
58	E	30	Very low	31.5	Very low	168 Å²	168	147.4 Å²	147.4	79%	0.785	75%	0.753	S	S	*	*			trans	-117.8	163.6	-153.1	-65.5	178.3	99	0	0	115.6
59	S	28.1	Very low	31.7	Very low	121 Å²	121	145.5 Å²	145.5	85%	0.846	75%	0.747	S	S	*	*			trans	81.9	115.7	152.1	-152.1	0	0	0	0	120.2
60	T	31.2	Very low	31.8	Very low	129 Å²	129	147.1 Å²	147.1	79%	0.791	74%	0.741	S	S	*	*			trans	-92.1	159.7	168.3	49.4	0	0	0	0	112.8
61	R	31.2	Very low	31.2	Very low	208 Å²	208	147 Å²	147	79%	0.785	73%	0.733	S	S	*	*			trans	173.2	154.2	149.5	-95.7	175.5	102.2	126.6	25.4	107.2
62	E	29	Very low	31.4	Very low	140 Å²	140	144.3 Å²	144.3	65%	0.654	74%	0.735	S	S	*	*			cis	-167.4	174.8	-12	-117.2	167.8	-169	0	0	105.7
63	S	28.1	Very low	31.3	Very low	88 Å²	88	142.6 Å²	142.6	62%	0.615	74%	0.74	S	S	*	*			cis	-170.5	143.7	-0.7	45.5	0	0	0	0	110.9
64	L	31.5	Very low	31.3	Very low	161 Å²	161	145.2 Å²	145.2	84%	0.843	74%	0.742	S	S	*	*			trans	66.2	159.9	154	-85.4	49.3	0	0	0	118.2
65	C	28.1	Very low	31.9	Very low	109 Å²	109	144.6 Å²	144.6	74%	0.736	75%	0.745	S	S	*	*			cis	-140.6	-178.2	-1.1	-111.9	0	0	0	0	108.6
66	D	27.9	Very low	31.9	Very low	135 Å²	135	141.4 Å²	141.4	72%	0.722	74%	0.742	S	S	*	*			cis	-159.4	155.3	25.6	-162.3	10.3	0	0	0	113.8
67	S	31.2	Very low	32.2	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	74%	0.742	S	S	*	*			trans	25.3	163.5	148	-69.9	0	0	0	0	125.9
68	P	55.8	Low	32.2	Very low	99 Å²	99	140 Å²	140	64%	0.643	74%	0.742	S	S	*	*			cis	-138.4	179.3	-14.9	30.5	-7.3	0	0	0	117.2
69	H	30.8	Very low	32.4	Very low	163 Å²	163	139.9 Å²	139.9	76%	0.755	75%	0.747	S	S	*	*			trans	68.3	124	166.2	-54.6	-61.3	0	0	0	118.8
70	Q	31.1	Very low	32.4	Very low	158 Å²	158	142.9 Å²	142.9	74%	0.738	75%	0.745	S	S	*	*			cis	74.4	129.7	37.4	-63.5	-159.7	25.1	0	0	114.7
71	N	29.5	Very low	32.5	Very low	122 Å²	122	143.8 Å²	143.8	65%	0.652	74%	0.743	S	S	*	*			cis	-146.8	-179.9	-4.9	-83.1	-37.2	0	0	0	107.4
72	L	29.7	Very low	32.6	Very low	163 Å²	163	143.8 Å²	143.8	85%	0.853	75%	0.749	S	S	*	*			cis	-137	-166.6	14.3	-110.5	110	0	0	0	107.8
73	S	29.1	Very low	32.9	Very low	99 Å²	99	141.4 Å²	141.4	69%	0.692	75%	0.753	S	S	*	*			cis	-142.6	-143.1	9.7	69.7	0	0	0	0	112.3
74	R	32.8	Very low	33	Very low	221 Å²	221	147 Å²	147	83%	0.834	77%	0.767	S	S	*	*			trans	-168.4	173.3	-179.1	-108.2	169.8	-166.7	-165.9	4.1	108.3
75	P	43.5	Very low	32.9	Very low	104 Å²	104	143.6 Å²	143.6	68%	0.675	76%	0.757	S	S	*	*			cis	-148.2	155.1	35	39	-17.3	0	0	0	120.1
76	L	31.2	Very low	33	Very low	145 Å²	145	146.6 Å²	146.6	76%	0.759	76%	0.764	S	S	*	*			trans	59.4	156.9	137.1	-58.4	173.4	0	0	0	119.6
77	L	35.3	Very low	33	Very low	137 Å²	137	143.2 Å²	143.2	72%	0.717	76%	0.761	S	S	*	*			cis	-155.4	-176.9	-2.5	-126.6	170.9	0	0	0	111.8
78	E	31	Very low	33	Very low	176 Å²	176	148.4 Å²	148.4	82%	0.822	77%	0.771	S	S	*	*			trans	63.1	108.5	157.1	-71.5	-175.6	159.9	0	0	121.4
79	N	33.6	Very low	31.6	Very low	164 Å²	164	152.5 Å²	152.5	88%	0.877	78%	0.784	S	S	*	*			trans	-145.7	104.2	147.9	-168.7	-5.3	0	0	0	108.6
80	K	29.8	Very low	31.8	Very low	185 Å²	185	149.8 Å²	149.8	80%	0.804	78%	0.783	S	S	*	*			trans	-166	143.1	174.6	-115.9	178.7	-176.3	176.7	0	113.9
81	L	33.3	Very low	31.8	Very low	147 Å²	147	148.6 Å²	148.6	77%	0.77	79%	0.787	S	S	*	*			trans	59.3	108.5	152.7	-62.9	165.1	0	0	0	119
82	K	31.5	Very low	32.5	Very low	208 Å²	208	147.7 Å²	147.7	90%	0.904	80%	0.797	S	S	*	*				-171	132.5	100.2	-97.9	155.8	-174.1	172.8	0	112.3
83	A	35.6	Very low	33	Very low	90 Å²	90	149.4 Å²	149.4	74%	0.744	80%	0.797	S	S	*	*			trans	-133.2	123.3	158.6	0	0	0	0	0	107.1
84	F	30	Very low	34.1	Very low	205 Å²	205	156.6 Å²	156.6	90%	0.899	81%	0.809	S	S	*	*			trans	-163.6	153.1	170.8	-113.1	-72.4	0	0	0	112.5
85	S	29.4	Very low	34.8	Very low	90 Å²	90	152.6 Å²	152.6	63%	0.629	81%	0.81	S	S	*	*			trans	59.5	101.9	155.6	55.5	0	0	0	0	121.1
86	I	30.8	Very low	35.5	Very low	173 Å²	173	152.3 Å²	152.3	89%	0.887	80%	0.802	S	S	*	*				61.5	124.3	114.2	-61.9	155.5	0	0	0	119.4
87	G	26.9	Very low	37.4	Very low	63 Å²	63	148.7 Å²	148.7	65%	0.649	79%	0.789	S	S	*	*				119.6	90.7	119.9	0	0	0	0	0	120.8
88	K	31.4	Very low	38.7	Very low	204 Å²	204	150 Å²	150	89%	0.887	79%	0.788	S	S	*	*			trans	59.2	137	139.1	-74.7	-173.8	176	-178.9	0	121.8
89	M	27.5	Very low	40.3	Very low	186 Å²	186	148.5 Å²	148.5	92%	0.916	78%	0.779	S	S	*	*			trans	99.3	149.8	150.1	-58.4	-109.1	-70.9	0	0	119.1
90	S	34.8	Very low	42	Very low	106 Å²	106	145.2 Å²	145.2	74%	0.741	76%	0.759	S	S	*	*			trans	-88.1	143.8	-159.3	51.7	0	0	0	0	115.6
91	T	30.8	Very low	43.7	Very low	132 Å²	132	141.6 Å²	141.6	81%	0.81	75%	0.745	S	S	*	*			trans	-141.1	141.2	140.1	40.4	0	0	0	0	109.7
92	A	45.2	Very low	45.6	Very low	104 Å²	104	140.7 Å²	140.7	86%	0.86	74%	0.737	S	S	*	*			trans	-79.1	142.9	179.5	0	0	0	0	0	111.4
93	K	40	Very low	47.8	Very low	199 Å²	199	137 Å²	137	87%	0.865	72%	0.722	S	S	*	*			trans	-118.9	140.8	169.8	-69.7	-174.2	177.5	-179.5	0	109.7
94	R	52.8	Low	49.5	Very low	250 Å²	250	137.4 Å²	137.4	94%	0.943	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-62	136.4	-172.8	-76.8	176.6	165	142.9	-6.1	111.7
95	T	47.3	Very low	51.8	Low	137 Å²	137	133.9 Å²	133.9	84%	0.84	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-66.8	131.3	153.7	48.5	0	0	0	0	108.7
96	L	58	Low	54.4	Low	97 Å²	97	136.2 Å²	136.2	51%	0.508	70%	0.695	S	S	.	*	P	Polyproline II helix	trans	-59.2	150	173.5	-67.2	164.9	0	0	0	110.4	E100 Q101	L96-E100 HydrophobicContact CD2-CG 4.4Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.39Å; L96-Q101 HydrophobicContact CB-CG 4.41Å
97	S	69.8	Low	56.9	Low	70 Å²	70	135.2 Å²	135.2	49%	0.49	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-71.8	148.4	-177	-175.5	0	0	0	0	111.5	K99 E100 Q101	S97-K99 PolarHBondContact O-N 3.37Å; S97-K99 VanDerWaalsContact O-N 3.16Å; S97-E100 PolarHBondContact N-OE2 3.07Å; S97-E100 WeakPolarHBondContact O-CA 3.4Å; S97-E100 VanDerWaalsContact O-CB 3.26Å; S97-E100 WeakPolarHBondContact O-CB 2.93Å; S97-E100 PolarHBondContact O-N 2.79Å; S97-Q101 PolarHBondContact O-N 3.35Å
98	K	62.4	Low	59.2	Low	163 Å²	163	139 Å²	139	71%	0.709	69%	0.685	S	S	*	*	H	α-helix	trans	-54.2	-38.1	176.5	-174.1	178.7	177.8	-176.6	0	111.9	E100 Q101 E102	K98-E100 VanDerWaalsContact C-N 3.33Å; K98-E100 PolarHBondContact O-N 3.49Å; K98-Q101 PolarHBondContact O-N 3.44Å; K98-E102 WeakPolarHBondContact O-CB 3.46Å; K98-E102 PolarHBondContact O-N 3.06Å
99	K	66.1	Low	61.4	Low	146 Å²	146	133.7 Å²	133.7	64%	0.635	67%	0.666	S	S	*	*	H	α-helix	trans	-63.9	-37.3	175.4	-173.9	-177	176.1	-170.7	0	112.7	S97 E102 E103	S97-K99 PolarHBondContact O-N 3.37Å; S97-K99 VanDerWaalsContact O-N 3.16Å; K99-E102 PolarHBondContact O-N 3.16Å; K99-E103 VanDerWaalsContact O-CB 3.25Å; K99-E103 WeakPolarHBondContact O-CB 3.41Å; K99-E103 PolarHBondContact O-N 3.48Å
100	E	69.6	Low	63.9	Low	94 Å²	94	130.9 Å²	130.9	44%	0.439	65%	0.651	S	S	.	*	H	α-helix	trans	-73.1	-34.6	-178.3	-163.5	171.9	-156.2	0	0	110.9	L96 S97 K98 L104	L96-E100 HydrophobicContact CD2-CG 4.4Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.39Å; S97-E100 PolarHBondContact N-OE2 3.07Å; S97-E100 WeakPolarHBondContact O-CA 3.4Å; S97-E100 VanDerWaalsContact O-CB 3.26Å; S97-E100 WeakPolarHBondContact O-CB 2.93Å; S97-E100 PolarHBondContact O-N 2.79Å; K98-E100 VanDerWaalsContact C-N 3.33Å; K98-E100 PolarHBondContact O-N 3.49Å; E100-L104 WeakPolarHBondContact O-CB 3.48Å; E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 3.07Å
101	Q	63.9	Low	66.1	Low	110 Å²	110	131.9 Å²	131.9	51%	0.514	64%	0.642	S	S	.	*	H	α-helix	trans	-68.8	-40.1	169.9	-65.8	177.4	-31.8	0	0	112.4	L96 S97 K98 K105	L96-Q101 HydrophobicContact CB-CG 4.41Å; S97-Q101 PolarHBondContact O-N 3.35Å; K98-Q101 PolarHBondContact O-N 3.44Å; Q101-K105 WeakPolarHBondContact O-CB 3.47Å; Q101-K105 PolarHBondContact O-N 3.08Å
102	E	74.1	Confident	68.5	Low	128 Å²	128	127.7 Å²	127.7	60%	0.598	62%	0.62	S	S	*	*	H	α-helix	trans	-69	-37.2	177.5	-170.3	165.6	-131.6	0	0	112	K98 K99 K106	K98-E102 WeakPolarHBondContact O-CB 3.46Å; K98-E102 PolarHBondContact O-N 3.06Å; K99-E102 PolarHBondContact O-N 3.16Å; E102-K106 WeakPolarHBondContact O-CB 3.25Å; E102-K106 PolarHBondContact O-N 3.24Å
103	E	76.7	Confident	70.1	Confident	129 Å²	129	125.5 Å²	125.5	60%	0.603	60%	0.602	S	S	*	*	H	α-helix	trans	-72.2	-35.6	174.8	-169.5	157.8	-145.8	0	0	112.4	K99 K107	K99-E103 VanDerWaalsContact O-CB 3.25Å; K99-E103 WeakPolarHBondContact O-CB 3.41Å; K99-E103 PolarHBondContact O-N 3.48Å; E103-K107 WeakPolarHBondContact O-CB 3.36Å; E103-K107 PolarHBondContact O-N 3.41Å
104	L	72.3	Confident	72	Confident	100 Å²	100	118.8 Å²	118.8	52%	0.524	58%	0.584	S	S	.	*	H	α-helix	trans	-63.9	-49.4	168.1	-82.2	167.1	0	0	0	112	E100 K106 K107 E108	E100-L104 WeakPolarHBondContact O-CB 3.48Å; E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 3.07Å; L104-K106 PolarHBondContact O-N 3.22Å; L104-K107 WeakPolarHBondContact O-CA 3.33Å; L104-K107 WeakPolarHBondContact O-CB 3.37Å; L104-K107 PolarHBondContact O-N 2.84Å; L104-E108 PolarHBondContact O-N 2.79Å
105	K	77.5	Confident	73.1	Confident	130 Å²	130	111.6 Å²	111.6	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-60.9	-46.4	179.8	-172.8	-177	175.1	-173.8	0	111.4	Q101 K107 E108 D109	Q101-K105 WeakPolarHBondContact O-CB 3.47Å; Q101-K105 PolarHBondContact O-N 3.08Å; K105-K107 PolarHBondContact O-N 3.5Å; K105-E108 PolarHBondContact O-N 3.14Å; K105-D109 PolarHBondContact O-N 2.72Å
106	K	84.8	Confident	74.6	Confident	139 Å²	139	110.3 Å²	110.3	60%	0.604	55%	0.548	S	S	*	.	H	α-helix	trans	-55.7	-37.1	174.8	-175.2	-173.1	172.3	-165.1	0	111.8	E102 L104 D109 E110	E102-K106 WeakPolarHBondContact O-CB 3.25Å; E102-K106 PolarHBondContact O-N 3.24Å; L104-K106 PolarHBondContact O-N 3.22Å; K106-D109 PolarHBondContact O-N 3.48Å; K106-E110 VanDerWaalsContact O-CB 3.25Å; K106-E110 WeakPolarHBondContact O-CB 3.16Å; K106-E110 PolarHBondContact O-N 2.61Å
107	K	82.6	Confident	75.5	Confident	152 Å²	152	112.6 Å²	112.6	66%	0.661	55%	0.551	S	S	*	*	H	α-helix	trans	-74.6	-27.9	178.9	-169.2	172.5	-177.4	175.7	0	113.4	E103 L104 K105 K111	E103-K107 WeakPolarHBondContact O-CB 3.36Å; E103-K107 PolarHBondContact O-N 3.41Å; L104-K107 WeakPolarHBondContact O-CA 3.33Å; L104-K107 WeakPolarHBondContact O-CB 3.37Å; L104-K107 PolarHBondContact O-N 2.84Å; K105-K107 PolarHBondContact O-N 3.5Å; K107-K111 VanDerWaalsContact O-CB 3.32Å; K107-K111 WeakPolarHBondContact O-CB 3.27Å; K107-K111 PolarHBondContact O-N 2.9Å
108	E	75.7	Confident	75.5	Confident	143 Å²	143	116 Å²	116	67%	0.668	56%	0.559	S	S	*	*	H	α-helix	trans	-70.4	-47.5	166.2	-72.7	-174.3	118.3	0	0	111.1	L104 K105 E110 K111 A112	L104-E108 PolarHBondContact O-N 2.79Å; K105-E108 PolarHBondContact O-N 3.14Å; E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 3.05Å; E108-K111 PolarHBondContact O-N 3.33Å; E108-K111 VanDerWaalsContact O-N 3.15Å; E108-A112 WeakPolarHBondContact O-CB 3.24Å; E108-A112 PolarHBondContact O-N 2.68Å
109	D	77.5	Confident	75.9	Confident	93 Å²	93	115 Å²	115	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-59.7	-41.9	178.6	-65.9	-32.3	0	0	0	111.6	K105 K106 A112 A113	K105-D109 PolarHBondContact O-N 2.72Å; K106-D109 PolarHBondContact O-N 3.48Å; D109-A112 PolarHBondContact O-N 3.03Å; D109-A113 WeakPolarHBondContact O-CB 3.48Å; D109-A113 PolarHBondContact O-N 3.02Å
110	E	80.6	Confident	76.5	Confident	127 Å²	127	114 Å²	114	59%	0.593	55%	0.553	S	S	*	*	H	α-helix	trans	-68	-35.2	176.1	-173.8	168.2	-170.8	0	0	112.4	K106 E108 A114	K106-E110 VanDerWaalsContact O-CB 3.25Å; K106-E110 WeakPolarHBondContact O-CB 3.16Å; K106-E110 PolarHBondContact O-N 2.61Å; E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 3.05Å; E110-A114 PolarHBondContact O-N 3.1Å
111	K	79.8	Confident	76.3	Confident	127 Å²	127	113.5 Å²	113.5	55%	0.552	55%	0.552	S	S	*	*	H	α-helix	trans	-72.7	-38.7	174.9	-174.6	173.1	-179	-69.7	0	112.2	K107 E108 A114 E115	K107-K111 VanDerWaalsContact O-CB 3.32Å; K107-K111 WeakPolarHBondContact O-CB 3.27Å; K107-K111 PolarHBondContact O-N 2.9Å; E108-K111 PolarHBondContact O-N 3.33Å; E108-K111 VanDerWaalsContact O-N 3.15Å; K111-A114 WeakPolarHBondContact O-CB 3.36Å; K111-A114 PolarHBondContact O-N 2.84Å; K111-E115 IonicContact NZ-OE1 2.86Å; K111-E115 PolarHBondContact NZ-OE1 2.9Å; K111-E115 PolarHBondContact O-N 2.99Å
112	A	81.3	Confident	76.6	Confident	43 Å²	43	111.4 Å²	111.4	36%	0.355	55%	0.554	S	S	.	*	H	α-helix	trans	-64.9	-39.8	173.6	0	0	0	0	0	111.4	E108 D109 A114 E115 I116	E108-A112 WeakPolarHBondContact O-CB 3.24Å; E108-A112 PolarHBondContact O-N 2.68Å; D109-A112 PolarHBondContact O-N 3.03Å; A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 2.95Å; A112-E115 PolarHBondContact O-N 2.9Å; A112-I116 WeakPolarHBondContact O-CD1 3.46Å; A112-I116 VanDerWaalsContact O-CG1 3.27Å; A112-I116 WeakPolarHBondContact O-CG1 3.48Å; A112-I116 PolarHBondContact O-N 2.81Å
113	A	79	Confident	76.3	Confident	59 Å²	59	109 Å²	109	49%	0.488	56%	0.556	S	S	.	*	H	α-helix	trans	-63	-37	172.6	0	0	0	0	0	112.5	D109 Y117	D109-A113 WeakPolarHBondContact O-CB 3.48Å; D109-A113 PolarHBondContact O-N 3.02Å; A113-Y117 WeakPolarHBondContact O-CB 3.32Å; A113-Y117 PolarHBondContact O-N 3.12Å
114	A	81	Confident	75.3	Confident	57 Å²	57	110.6 Å²	110.6	47%	0.471	56%	0.562	S	S	.	*	H	α-helix	trans	-67	-43.7	173.9	0	0	0	0	0	112.5	E110 K111 A112 Y117 E118	E110-A114 PolarHBondContact O-N 3.1Å; K111-A114 WeakPolarHBondContact O-CB 3.36Å; K111-A114 PolarHBondContact O-N 2.84Å; A112-A114 VanDerWaalsContact C-N 3.32Å; A112-A114 PolarHBondContact O-N 2.95Å; A114-Y117 PolarHBondContact O-N 3.13Å; A114-E118 WeakPolarHBondContact O-CB 3.34Å; A114-E118 PolarHBondContact O-N 3.03Å
115	E	75.8	Confident	74.5	Confident	99 Å²	99	114.6 Å²	114.6	46%	0.463	58%	0.577	S	S	.	*	H	α-helix	trans	-63.8	-40	176.6	-75.7	173.5	-176.8	0	0	112.2	K111 A112 Y117 E118 E119	K111-E115 IonicContact NZ-OE1 2.86Å; K111-E115 PolarHBondContact NZ-OE1 2.9Å; K111-E115 PolarHBondContact O-N 2.99Å; A112-E115 PolarHBondContact O-N 2.9Å; E115-Y117 VanDerWaalsContact C-N 3.32Å; E115-Y117 PolarHBondContact O-N 3.01Å; E115-E118 PolarHBondContact O-N 3.03Å; E115-E119 WeakPolarHBondContact O-CB 3.46Å; E115-E119 PolarHBondContact O-N 3.45Å
116	I	78	Confident	72.8	Confident	110 Å²	110	111.6 Å²	111.6	56%	0.564	58%	0.583	S	S	*	*	H	α-helix	trans	-65.6	-35.1	173.8	-67.9	164.6	0	0	0	111.4	A112 F120	A112-I116 WeakPolarHBondContact O-CD1 3.46Å; A112-I116 VanDerWaalsContact O-CG1 3.27Å; A112-I116 WeakPolarHBondContact O-CG1 3.48Å; A112-I116 PolarHBondContact O-N 2.81Å; I116-F120 VanDerWaalsContact O-CB 3.28Å; I116-F120 WeakPolarHBondContact O-CB 3.45Å; I116-F120 PolarHBondContact O-N 2.87Å
117	Y	76.3	Confident	70.4	Confident	146 Å²	146	109.5 Å²	109.5	57%	0.573	59%	0.586	S	S	*	*	H	α-helix	trans	-72.7	-35.4	175.9	-176.2	-104.1	0	0	0	112.3	A113 A114 E115 F120 L121	A113-Y117 WeakPolarHBondContact O-CB 3.32Å; A113-Y117 PolarHBondContact O-N 3.12Å; A114-Y117 PolarHBondContact O-N 3.13Å; E115-Y117 VanDerWaalsContact C-N 3.32Å; E115-Y117 PolarHBondContact O-N 3.01Å; Y117-F120 PolarHBondContact O-N 3.28Å; Y117-L121 HydrophobicContact CD1-CD1 4.03Å; Y117-L121 HydrophobicContact CE1-CD1 3.51Å; Y117-L121 HydrophobicContact CE1-CG 4.21Å; Y117-L121 WeakPolarHBondContact O-CG 3.41Å; Y117-L121 PolarHBondContact O-N 2.82Å
118	E	70.9	Confident	68.4	Low	140 Å²	140	109.4 Å²	109.4	65%	0.654	59%	0.593	S	S	*	*	H	α-helix	trans	-67.8	-42.5	173	-169.9	170.2	-166.3	0	0	111.4	A114 E115 F120 L121 A122	A114-E118 WeakPolarHBondContact O-CB 3.34Å; A114-E118 PolarHBondContact O-N 3.03Å; E115-E118 PolarHBondContact O-N 3.03Å; E118-F120 VanDerWaalsContact C-N 3.34Å; E118-F120 PolarHBondContact O-N 3.17Å; E118-L121 PolarHBondContact O-N 3.28Å; E118-A122 WeakPolarHBondContact O-CB 3.42Å; E118-A122 PolarHBondContact O-N 2.84Å
119	E	70.2	Confident	66.7	Low	143 Å²	143	106.1 Å²	106.1	67%	0.668	60%	0.598	S	S	*	*	H	α-helix	trans	-61	-41.3	171.3	-174.1	175.3	-157.6	0	0	111.7	E115 L121 A122 A123	E115-E119 WeakPolarHBondContact O-CB 3.46Å; E115-E119 PolarHBondContact O-N 3.45Å; E119-L121 PolarHBondContact O-N 3.19Å; E119-A122 PolarHBondContact O-N 3.43Å; E119-A123 WeakPolarHBondContact O-CB 3.22Å; E119-A123 PolarHBondContact O-N 2.82Å
120	F	78.9	Confident	64.6	Low	125 Å²	125	108.8 Å²	108.8	55%	0.548	61%	0.612	S	S	.	*	H	α-helix	trans	-64.4	-36.8	176	178.4	-95.7	0	0	0	113.1	I116 Y117 E118 F124	I116-F120 VanDerWaalsContact O-CB 3.28Å; I116-F120 WeakPolarHBondContact O-CB 3.45Å; I116-F120 PolarHBondContact O-N 2.87Å; Y117-F120 PolarHBondContact O-N 3.28Å; E118-F120 VanDerWaalsContact C-N 3.34Å; E118-F120 PolarHBondContact O-N 3.17Å; F120-F124 HydrophobicContact CE2-CE2 4.34Å; F120-F124 HydrophobicContact CZ-CE2 4.09Å
121	L	66.4	Low	62.6	Low	83 Å²	83	111.3 Å²	111.3	44%	0.435	62%	0.621	S	S	.	*	H	α-helix	trans	-73.6	-43.2	174.2	-72	176.9	0	0	0	111.9	Y117 E118 E119 A123 F124	Y117-L121 HydrophobicContact CD1-CD1 4.03Å; Y117-L121 HydrophobicContact CE1-CD1 3.51Å; Y117-L121 HydrophobicContact CE1-CG 4.21Å; Y117-L121 WeakPolarHBondContact O-CG 3.41Å; Y117-L121 PolarHBondContact O-N 2.82Å; E118-L121 PolarHBondContact O-N 3.28Å; E119-L121 PolarHBondContact O-N 3.19Å; L121-A123 PolarHBondContact O-N 3.3Å; L121-F124 PolarHBondContact O-N 3.34Å
122	A	69.8	Low	60.3	Low	66 Å²	66	111.2 Å²	111.2	55%	0.545	63%	0.63	S	S	.	*	H	α-helix	trans	-59	-31.9	175.9	0	0	0	0	0	112.4	E118 E119 F124 E125	E118-A122 WeakPolarHBondContact O-CB 3.42Å; E118-A122 PolarHBondContact O-N 2.84Å; E119-A122 PolarHBondContact O-N 3.43Å; A122-F124 PolarHBondContact O-N 3.29Å; A122-E125 PolarHBondContact O-N 3.32Å
123	A	66.8	Low	58.3	Low	79 Å²	79	118.1 Å²	118.1	65%	0.653	65%	0.652	S	S	*	*	H	α-helix	trans	-65.5	-11	174.5	0	0	0	0	0	114.8	E119 L121	E119-A123 WeakPolarHBondContact O-CB 3.22Å; E119-A123 PolarHBondContact O-N 2.82Å; L121-A123 PolarHBondContact O-N 3.3Å
124	F	56.8	Low	56.2	Low	162 Å²	162	121 Å²	121	71%	0.711	66%	0.664	S	S	*	*	H	α-helix	trans	-103.1	-19.7	177.9	-91.1	-88.5	0	0	0	115.1	F120 L121 A122	F120-F124 HydrophobicContact CE2-CE2 4.34Å; F120-F124 HydrophobicContact CZ-CE2 4.09Å; L121-F124 PolarHBondContact O-N 3.34Å; A122-F124 PolarHBondContact O-N 3.29Å
125	E	55.1	Low	53.6	Low	183 Å²	183	128.6 Å²	128.6	86%	0.855	69%	0.687	S	S	*	*	H	α-helix	trans	-98	-0.9	-179.1	-60.5	-166.3	144	0	0	113.5	A122 S127	A122-E125 PolarHBondContact O-N 3.32Å; E125-S127 PolarHBondContact O-N 2.96Å; E125-S127 VanDerWaalsContact O-N 3.1Å
126	G	40.9	Very low	51.5	Low	67 Å²	67	129.6 Å²	129.6	69%	0.691	70%	0.699	S	S	*	*			trans	-82.3	68.7	-175.5	0	0	0	0	0	117.3
127	S	35.4	Very low	49.3	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	72%	0.718	S	S	*	*			trans	42.3	118.7	153.2	-166.7	0	0	0	0	121.5	E125	E125-S127 PolarHBondContact O-N 2.96Å; E125-S127 VanDerWaalsContact O-N 3.1Å
128	D	39.8	Very low	47.1	Very low	151 Å²	151	133 Å²	133	81%	0.807	73%	0.728	S	S	*	*			trans	45.7	93.2	134.1	-51.7	-75.6	0	0	0	121.3
129	G	41.1	Very low	45.3	Very low	74 Å²	74	130.2 Å²	130.2	76%	0.763	74%	0.737	S	S	*	*				80.9	79.1	116.9	0	0	0	0	0	120
130	N	32.6	Very low	43.5	Very low	148 Å²	148	130 Å²	130	79%	0.791	75%	0.745	S	S	*	*				-152.4	166.4	127.9	-125.7	-55.5	0	0	0	115.2
131	K	37.9	Very low	41.2	Very low	181 Å²	181	130.8 Å²	130.8	79%	0.787	76%	0.759	S	S	*	*			trans	-64.6	142.1	-171.2	-53	136.8	-173.5	169.9	0	112.7
132	V	32.4	Very low	39.4	Very low	124 Å²	124	133.9 Å²	133.9	75%	0.752	78%	0.777	S	S	*	*				-177.3	129.4	118.6	142.3	0	0	0	0	114
133	K	40.1	Very low	37.3	Very low	188 Å²	188	135.7 Å²	135.7	82%	0.817	79%	0.791	S	S	*	*			trans	41.5	109.7	153.6	-60.2	172.5	-173.2	172.9	0	120.5
134	T	33.7	Very low	35.6	Very low	119 Å²	119	136.7 Å²	136.7	73%	0.73	80%	0.799	S	S	*	*			trans	-63.7	154.8	156.5	43.3	0	0	0	0	113.7
135	F	27.8	Very low	34.5	Very low	217 Å²	217	136.9 Å²	136.9	95%	0.952	80%	0.8	S	S	*	*			trans	-121.8	142.1	143.2	-94.3	-83.4	0	0	0	108.7
136	V	31.2	Very low	33.4	Very low	120 Å²	120	134.6 Å²	134.6	73%	0.727	79%	0.794	S	S	*	*			trans	-115.2	137.1	-167.3	175.1	0	0	0	0	111.3
137	R	31.1	Very low	32.9	Very low	253 Å²	253	139.1 Å²	139.1	96%	0.955	80%	0.797	S	S	*	*			trans	-113.6	121.5	160.6	-157	170.6	-171.1	158.2	1.9	107.3
138	G	30.9	Very low	32.7	Very low	75 Å²	75	142.5 Å²	142.5	77%	0.773	80%	0.802	S	S	*	*			trans	-87.4	161.3	-159	0	0	0	0	0	116.7
139	G	32	Very low	32.3	Very low	82 Å²	82	142.6 Å²	142.6	85%	0.845	80%	0.797	S	S	*	*			trans	-165.3	140.9	170.5	0	0	0	0	0	110.4
140	V	33.2	Very low	31.9	Very low	138 Å²	138	145 Å²	145	84%	0.836	80%	0.797	S	S	*	*			trans	-102.3	130.4	-171	175.5	0	0	0	0	111.7
141	V	30.2	Very low	31.9	Very low	141 Å²	141	144.3 Å²	144.3	86%	0.855	79%	0.794	S	S	*	*			trans	-147.3	152.3	148.2	176.3	0	0	0	0	109.1
142	N	27.7	Very low	31.7	Very low	149 Å²	149	142.1 Å²	142.1	80%	0.797	79%	0.786	S	S	*	*			trans	-74.9	155.1	179.5	-56	-49.2	0	0	0	113.3
143	A	27.6	Very low	32	Very low	104 Å²	104	143.4 Å²	143.4	86%	0.86	78%	0.782	S	S	*	*			trans	-111.3	154	157.2	0	0	0	0	0	109.6
144	A	30	Very low	31.7	Very low	99 Å²	99	146.8 Å²	146.8	82%	0.818	79%	0.789	S	S	*	*			trans	-146.9	142.4	176.2	0	0	0	0	0	111.4
145	K	33.8	Very low	31.7	Very low	166 Å²	166	144.6 Å²	144.6	72%	0.722	79%	0.791	S	S	*	*			trans	76.6	117.5	161.3	-127.7	-171.1	178.8	-159.9	0	120.1
146	D	31.6	Very low	32	Very low	136 Å²	136	144.6 Å²	144.6	73%	0.727	79%	0.79	S	S	*	*			cis	-131.7	-90.3	-35.1	-91.4	-32.4	0	0	0	108.5
147	E	30.9	Very low	32.2	Very low	162 Å²	162	147 Å²	147	76%	0.757	80%	0.798	S	S	*	*			cis	-135.4	-101.6	-23.5	-80.5	-172.1	166.8	0	0	110.1
148	H	30.6	Very low	32.5	Very low	165 Å²	165	144 Å²	144	76%	0.764	79%	0.787	S	S	*	*			trans	-129.9	143.6	-173.7	-87.7	-124.4	0	0	0	112.2
149	E	32.1	Very low	32.9	Very low	153 Å²	153	149.5 Å²	149.5	72%	0.715	79%	0.79	S	S	*	*			cis	-151.6	-156.5	4	-133.7	-178.1	-98.4	0	0	110.3
150	T	32.9	Very low	33.3	Very low	125 Å²	125	150.4 Å²	150.4	77%	0.767	78%	0.781	S	S	*	*			cis	-138.9	-178.9	19.2	62.4	0	0	0	0	112.7
151	D	31.6	Very low	33	Very low	134 Å²	134	149.9 Å²	149.9	72%	0.717	78%	0.784	S	S	*	*			trans	-61.5	162.7	162.4	-106.7	-36	0	0	0	113.7
152	E	33.5	Very low	33.3	Very low	134 Å²	134	147.6 Å²	147.6	63%	0.626	77%	0.774	S	S	*	*			cis	-149.9	169.6	15	-134.2	-154.6	136.6	0	0	114.6
153	K	39.2	Very low	33.5	Very low	152 Å²	152	150.4 Å²	150.4	66%	0.661	77%	0.773	S	S	*	*			trans	68.5	84.5	157	-72.1	170.5	168.5	72.4	0	121.4
154	R	34.3	Very low	33.6	Very low	258 Å²	258	153.7 Å²	153.7	97%	0.974	77%	0.769	S	S	*	*				41.1	139	127.3	-56.4	179.4	-173	-169.3	1.9	120.8
155	G	33.3	Very low	33.5	Very low	74 Å²	74	153 Å²	153	76%	0.763	76%	0.763	S	S	*	*			cis	-173.2	159.6	3	0	0	0	0	0	112
156	K	34.7	Very low	33.4	Very low	216 Å²	216	152.1 Å²	152.1	94%	0.939	77%	0.766	S	S	*	*			trans	-124.8	164	-160.7	-72.7	178.2	-179.3	170.1	0	115.7
157	I	34.9	Very low	33.4	Very low	172 Å²	172	152.8 Å²	152.8	88%	0.882	77%	0.765	S	S	*	*			trans	-47.4	145.2	173.1	-64.7	152.5	0	0	0	113.8
158	Y	37.6	Very low	33.3	Very low	188 Å²	188	153.8 Å²	153.8	74%	0.737	77%	0.767	S	S	*	*			trans	-95.3	152.7	-179.5	175.6	-101.6	0	0	0	113.9	P160	Y158-P160 HydrophobicContact CE1-CB 3.91Å; Y158-P160 HydrophobicContact CE1-CG 4.12Å
159	K	39.3	Very low	33.2	Very low	191 Å²	191	153.4 Å²	153.4	83%	0.83	77%	0.77	S	S	*	*			trans	-136.8	139.7	165.4	-71.5	-177.3	179.3	178.7	0	109.7
160	P	39.6	Very low	34	Very low	102 Å²	102	151.7 Å²	151.7	66%	0.662	77%	0.773	S	S	*	*			trans	-100.3	155.7	166.8	35.3	-30.4	0	0	0	113.6	Y158	Y158-P160 HydrophobicContact CE1-CB 3.91Å; Y158-P160 HydrophobicContact CE1-CG 4.12Å
161	S	27.3	Very low	34.8	Very low	127 Å²	127	151.1 Å²	151.1	89%	0.888	77%	0.771	S	S	*	*			trans	-139.9	175.2	160.5	-169.4	0	0	0	0	108.9
162	S	36.9	Very low	34.8	Very low	93 Å²	93	150.8 Å²	150.8	65%	0.65	77%	0.769	S	S	*	*			trans	-105.5	162.1	-155.9	65.2	0	0	0	0	117.6
163	R	31.6	Very low	34.8	Very low	207 Å²	207	151.6 Å²	151.6	78%	0.781	77%	0.773	S	S	*	*			trans	82.4	149.6	171.4	-48.4	177.7	179.9	-160.7	-2.1	114.3
164	F	28.8	Very low	34.3	Very low	173 Å²	173	149.5 Å²	149.5	76%	0.759	78%	0.777	S	S	*	*			cis	-124.7	160.2	6	-74.3	-96	0	0	0	109.9
165	A	28.8	Very low	34	Very low	84 Å²	84	142 Å²	142	69%	0.694	76%	0.764	S	S	*	*				55.4	136.2	71	0	0	0	0	0	114.3
166	D	32.6	Very low	33.7	Very low	149 Å²	149	145.2 Å²	145.2	80%	0.797	76%	0.764	S	S	*	*			cis	-166	179.1	3.4	-153.4	-19.9	0	0	0	112
167	Q	29.7	Very low	33.3	Very low	150 Å²	150	143.1 Å²	143.1	70%	0.701	76%	0.758	S	S	*	*			trans	76.9	147.1	167.2	-62.3	178.6	37.5	0	0	118
168	K	30.3	Very low	32.9	Very low	183 Å²	183	146.1 Å²	146.1	80%	0.796	76%	0.758	S	S	*	*			cis	-145.3	152.8	20.6	-133	149.5	-169.8	169	0	114
169	N	27.4	Very low	33.2	Very low	157 Å²	157	142.4 Å²	142.4	84%	0.84	76%	0.757	S	S	*	*			trans	-91.8	-166.7	180	-71.4	-23.1	0	0	0	111.1
170	P	50	Low	33.1	Very low	117 Å²	117	139.5 Å²	139.5	76%	0.76	76%	0.757	S	S	*	*			cis	-138.4	-163.2	8.5	47.2	-27.5	0	0	0	114.1
171	P	49.7	Very low	32.7	Very low	112 Å²	112	139.2 Å²	139.2	73%	0.727	76%	0.758	S	S	*	*			cis	-127.4	-155.2	-1.5	46	-27.9	0	0	0	111.8
172	N	31.2	Very low	32.6	Very low	128 Å²	128	140.1 Å²	140.1	68%	0.684	75%	0.752	S	S	*	*			cis	-164.8	168.3	-8.6	-128.6	11.4	0	0	0	106.9
173	Q	32.4	Very low	32.1	Very low	151 Å²	151	142.7 Å²	142.7	71%	0.706	76%	0.758	S	S	*	*			cis	-164.4	172.2	-23.1	-139.5	172.7	-5.8	0	0	109.6
174	S	29.3	Very low	31.8	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	75%	0.753	S	S	*	*			trans	64.6	138.6	155.3	62.1	0	0	0	0	121
175	S	29.3	Very low	31.9	Very low	100 Å²	100	137 Å²	137	70%	0.699	75%	0.753	S	S	*	*			cis	-170.8	144.2	-13.3	47.4	0	0	0	0	112.8
176	N	25.8	Very low	31.8	Very low	142 Å²	142	140.7 Å²	140.7	76%	0.759	76%	0.756	S	S	*	*			trans	62.2	162.7	154.8	-67	19.1	0	0	0	118.7
177	E	27.3	Very low	31.7	Very low	171 Å²	171	140.1 Å²	140.1	80%	0.799	76%	0.758	S	S	*	*			cis	-141.1	-159.8	9.2	-149.5	139.4	-98.3	0	0	114.1
178	R	25.2	Very low	31.6	Very low	236 Å²	236	142 Å²	142	89%	0.891	76%	0.764	S	S	*	*			trans	-134.6	-112.9	-156.6	-165.2	-173.2	-161.5	-173.1	7	118.4
179	P	44.8	Very low	31.9	Very low	110 Å²	110	142.9 Å²	142.9	71%	0.714	77%	0.768	S	S	*	*			trans	-79.3	175.2	-137.8	40.9	-38.9	0	0	0	115.6
180	P	37.8	Very low	32.2	Very low	129 Å²	129	141 Å²	141	84%	0.838	76%	0.764	S	S	*	*			cis	-139.3	-130.3	21.2	43.9	-22.1	0	0	0	116
181	S	29.4	Very low	31.7	Very low	97 Å²	97	141.2 Å²	141.2	68%	0.678	77%	0.765	S	S	*	*			trans	-155.6	172.8	-175	56.9	0	0	0	0	110.3
182	L	25.5	Very low	30.9	Very low	145 Å²	145	143.2 Å²	143.2	76%	0.759	77%	0.769	S	S	*	*			trans	160	144.7	143.2	-104.1	78.8	0	0	0	114.8
183	L	26.7	Very low	31	Very low	148 Å²	148	147.4 Å²	147.4	78%	0.775	78%	0.781	S	S	*	*			trans	36.4	162	134.9	-55.3	-168.8	0	0	0	122.9
184	V	26.1	Very low	30.9	Very low	113 Å²	113	149.7 Å²	149.7	69%	0.685	79%	0.789	S	S	*	*			cis	-165.8	-167.2	-11	135	0	0	0	0	108.4
185	I	29.6	Very low	30.9	Very low	148 Å²	148	148 Å²	148	76%	0.759	79%	0.788	S	S	*	*			trans	93.2	84.8	172	-50.6	-179.7	0	0	0	112.1
186	E	27.6	Very low	31.1	Very low	160 Å²	160	152.6 Å²	152.6	75%	0.748	80%	0.799	S	S	*	*				87	124.1	74	-82.6	-159.8	157.2	0	0	115
187	T	29.9	Very low	31.9	Very low	137 Å²	137	155.8 Å²	155.8	84%	0.84	81%	0.806	S	S	*	*				-161.2	106.5	128.5	3.1	0	0	0	0	113.1
188	K	28.9	Very low	32.5	Very low	189 Å²	189	156.6 Å²	156.6	82%	0.822	81%	0.809	S	S	*	*			trans	32.1	116.3	144.3	-62.7	174.2	-179.1	173.8	0	120.5
189	K	35.4	Very low	33.4	Very low	203 Å²	203	154.9 Å²	154.9	88%	0.883	81%	0.808	S	S	*	*			trans	-79.6	162.9	144.6	-64.7	-178.5	178.6	179.9	0	110.2
190	P	33.9	Very low	33.4	Very low	118 Å²	118	159.7 Å²	159.7	77%	0.766	82%	0.818	S	S	*	*				-147.1	-175.6	107.1	40.1	-25.6	0	0	0	113.2
191	P	39	Very low	34.5	Very low	121 Å²	121	157.7 Å²	157.7	79%	0.786	80%	0.797	S	S	*	*				-121.1	-176	-50.5	37	-23.7	0	0	0	111.6
192	L	34	Very low	36.5	Very low	154 Å²	154	156.6 Å²	156.6	81%	0.806	79%	0.789	S	S	*	*			trans	-85.1	150.9	178.7	-58.6	87.3	0	0	0	112.8
193	K	33.6	Very low	38.2	Very low	216 Å²	216	156.5 Å²	156.5	94%	0.939	79%	0.789	S	S	*	*			trans	-120.4	157.2	134.3	-87.3	-169	174.5	-177.4	0	109.6
194	K	30.3	Very low	39.4	Very low	198 Å²	198	155 Å²	155	86%	0.861	78%	0.781	S	S	*	*			trans	-137.5	113.1	-153.7	-178.8	-173.4	179.9	-174.5	0	111.8
195	G	29.5	Very low	41.2	Very low	72 Å²	72	154.2 Å²	154.2	74%	0.742	77%	0.77	S	S	*	*			trans	85.7	118.7	156.5	0	0	0	0	0	116.6
196	E	32.2	Very low	43.1	Very low	197 Å²	197	151.5 Å²	151.5	92%	0.921	76%	0.757	S	S	*	*				-138.8	163.9	113.1	-123.5	175.6	148.6	0	0	109.8
197	K	44.1	Very low	45	Very low	209 Å²	209	149.4 Å²	149.4	91%	0.909	75%	0.745	S	S	*	*			trans	-107.3	85.5	-176.1	-77.7	-175.5	178.7	176.7	0	110.8
198	E	37.9	Very low	47	Very low	188 Å²	188	149.5 Å²	149.5	88%	0.879	73%	0.734	S	S	*	*			trans	-89.7	157.5	165	-65.7	-131.8	103.5	0	0	111.7
199	K	45.5	Very low	49	Very low	200 Å²	200	144.3 Å²	144.3	87%	0.87	71%	0.713	S	S	*	*			trans	-75.2	136.7	-163.2	-62.9	163.1	-172.6	166.4	0	110.4	K201	K199-K201 PolarHBondContact O-N 3.06Å
200	K	44.7	Very low	50.8	Low	211 Å²	211	139.4 Å²	139.4	92%	0.917	69%	0.693	S	S	*	*			trans	-63.1	108.5	170.5	-71.3	-173.3	177.2	-174.7	0	109.2
201	K	59.6	Low	52.5	Low	88 Å²	88	138.1 Å²	138.1	38%	0.383	68%	0.679	S	S	.	*			trans	-55.4	151.3	165.6	-66.9	-170.6	-176.8	-173.6	0	110.3	K199 E205 E209	K199-K201 PolarHBondContact O-N 3.06Å; K201-E205 WeakPolarHBondContact CA-OE2 3.47Å; K201-E205 HydrophobicContact CB-CB 4.34Å; K201-E205 HydrophobicContact CB-CG 4.28Å; K201-E205 VanDerWaalsContact CB-OE2 3.3Å; K201-E205 WeakPolarHBondContact CB-OE2 3.46Å; K201-E205 HydrophobicContact CD-CG 4.17Å; K201-E205 HydrophobicContact CG-CG 4.5Å; K201-E209 WeakPolarHBondContact CD-OE2 3.49Å; K201-E209 IonicContact NZ-OE1 3.85Å; K201-E209 PolarHBondContact NZ-OE1 3.04Å; K201-E209 IonicContact NZ-OE2 3.91Å; K201-E209 PolarHBondContact NZ-OE2 3.05Å
202	S	72.1	Confident	54.4	Low	74 Å²	74	138.3 Å²	138.3	52%	0.517	67%	0.667	S	S	.	*			trans	-67.4	148.9	176.2	179.5	0	0	0	0	110.7	L204 E205 L206	S202-L204 PolarHBondContact O-N 3Å; S202-L204 VanDerWaalsContact O-N 3.08Å; S202-E205 PolarHBondContact N-OE2 3.11Å; S202-E205 WeakPolarHBondContact O-CA 3.5Å; S202-E205 VanDerWaalsContact O-CB 3.32Å; S202-E205 WeakPolarHBondContact O-CB 3.22Å; S202-E205 PolarHBondContact O-N 2.97Å; S202-L206 PolarHBondContact O-N 2.98Å
203	N	60.5	Low	56.1	Low	142 Å²	142	137.1 Å²	137.1	76%	0.759	66%	0.658	S	S	*	*	H	α-helix	trans	-53.8	-32.4	174.8	-78.2	0.8	0	0	0	112.5	F207	N203-F207 WeakPolarHBondContact O-CB 3.3Å; N203-F207 PolarHBondContact O-N 3.14Å
204	L	52.7	Low	57.9	Low	117 Å²	117	130.2 Å²	130.2	61%	0.613	63%	0.63	S	S	*	*	H	α-helix	trans	-77.3	-22.7	178.2	-170.2	137.4	0	0	0	113.3	S202 K208	S202-L204 PolarHBondContact O-N 3Å; S202-L204 VanDerWaalsContact O-N 3.08Å; L204-K208 HydrophobicContact CD2-CD 4.3Å; L204-K208 VanDerWaalsContact O-CG 3.31Å; L204-K208 WeakPolarHBondContact O-CG 3.43Å; L204-K208 PolarHBondContact O-N 3.21Å
205	E	63.1	Low	59.3	Low	96 Å²	96	125.8 Å²	125.8	45%	0.449	61%	0.613	S	S	.	*	H	α-helix	trans	-79.1	-42.4	171.1	-171.7	-176.4	-178.5	0	0	109.9	K201 S202 F207 K208 E209	K201-E205 WeakPolarHBondContact CA-OE2 3.47Å; K201-E205 HydrophobicContact CB-CB 4.34Å; K201-E205 HydrophobicContact CB-CG 4.28Å; K201-E205 VanDerWaalsContact CB-OE2 3.3Å; K201-E205 WeakPolarHBondContact CB-OE2 3.46Å; K201-E205 HydrophobicContact CD-CG 4.17Å; K201-E205 HydrophobicContact CG-CG 4.5Å; S202-E205 PolarHBondContact N-OE2 3.11Å; S202-E205 WeakPolarHBondContact O-CA 3.5Å; S202-E205 VanDerWaalsContact O-CB 3.32Å; S202-E205 WeakPolarHBondContact O-CB 3.22Å; S202-E205 PolarHBondContact O-N 2.97Å; E205-F207 PolarHBondContact O-N 3.41Å; E205-K208 PolarHBondContact O-N 2.93Å; E205-K208 VanDerWaalsContact O-N 3.17Å; E205-E209 WeakPolarHBondContact O-CB 3.45Å; E205-E209 PolarHBondContact O-N 2.99Å
206	L	70.8	Confident	60.9	Low	92 Å²	92	127 Å²	127	48%	0.482	60%	0.599	S	S	.	*	H	α-helix	trans	-62.5	-41.3	176.9	-142.9	151.7	0	0	0	111.7	S202 E209 E210	S202-L206 PolarHBondContact O-N 2.98Å; L206-E209 PolarHBondContact O-N 3.31Å; L206-E210 WeakPolarHBondContact O-CB 3.45Å; L206-E210 PolarHBondContact O-N 3.38Å
207	F	67.1	Low	62.7	Low	116 Å²	116	122 Å²	122	51%	0.509	58%	0.576	S	S	.	*	H	α-helix	trans	-68.9	-32	173.6	-173.8	-111.3	0	0	0	113.5	N203 E205 L211	N203-F207 WeakPolarHBondContact O-CB 3.3Å; N203-F207 PolarHBondContact O-N 3.14Å; E205-F207 PolarHBondContact O-N 3.41Å; F207-L211 HydrophobicContact CD1-CD1 4.05Å; F207-L211 HydrophobicContact CE1-CD1 3.58Å; F207-L211 HydrophobicContact CE1-CG 4.3Å; F207-L211 HydrophobicContact CZ-CD1 3.93Å; F207-L211 HydrophobicContact CZ-CG 4.26Å; F207-L211 WeakPolarHBondContact O-CB 2.9Å; F207-L211 WeakPolarHBondContact O-CG 3.22Å; F207-L211 PolarHBondContact O-N 2.82Å
208	K	71.6	Confident	63.3	Low	139 Å²	139	119.2 Å²	119.2	60%	0.604	56%	0.56	S	S	*	*	H	α-helix	trans	-71.2	-35.8	172	-78.4	177.8	177.1	-174.9	0	111.9	L204 E205 K212	L204-K208 HydrophobicContact CD2-CD 4.3Å; L204-K208 VanDerWaalsContact O-CG 3.31Å; L204-K208 WeakPolarHBondContact O-CG 3.43Å; L204-K208 PolarHBondContact O-N 3.21Å; E205-K208 PolarHBondContact O-N 2.93Å; E205-K208 VanDerWaalsContact O-N 3.17Å; K208-K212 VanDerWaalsContact O-CB 3.31Å; K208-K212 WeakPolarHBondContact O-CB 3.4Å; K208-K212 PolarHBondContact O-N 3Å
209	E	71.9	Confident	64.5	Low	80 Å²	80	114.6 Å²	114.6	37%	0.374	54%	0.541	S	S	.	.	H	α-helix	trans	-69.4	-38.8	174.7	-171	159.7	-132.9	0	0	111.5	K201 E205 L206 K212 Q213	K201-E209 WeakPolarHBondContact CD-OE2 3.49Å; K201-E209 IonicContact NZ-OE1 3.85Å; K201-E209 PolarHBondContact NZ-OE1 3.04Å; K201-E209 IonicContact NZ-OE2 3.91Å; K201-E209 PolarHBondContact NZ-OE2 3.05Å; E205-E209 WeakPolarHBondContact O-CB 3.45Å; E205-E209 PolarHBondContact O-N 2.99Å; L206-E209 PolarHBondContact O-N 3.31Å; E209-K212 PolarHBondContact O-N 3.45Å; E209-Q213 WeakPolarHBondContact O-CB 3.22Å; E209-Q213 PolarHBondContact O-N 3.29Å
210	E	73.1	Confident	65.3	Low	99 Å²	99	110.6 Å²	110.6	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-63	-49.8	172	-178.1	175.7	-153	0	0	112.1	L206 K212 Q213 I214	L206-E210 WeakPolarHBondContact O-CB 3.45Å; L206-E210 PolarHBondContact O-N 3.38Å; E210-K212 VanDerWaalsContact C-N 3.3Å; E210-K212 PolarHBondContact O-N 3.17Å; E210-Q213 PolarHBondContact O-N 2.85Å; E210-I214 HydrophobicContact CG-CD1 4.11Å; E210-I214 WeakPolarHBondContact O-CG1 3.4Å; E210-I214 PolarHBondContact O-N 2.93Å
211	L	69.2	Low	66.1	Low	92 Å²	92	107.9 Å²	107.9	48%	0.482	51%	0.509	S	S	.	.	H	α-helix	trans	-62	-37.4	174.6	-75.7	175.6	0	0	0	112.3	F207 I214 Q215	F207-L211 HydrophobicContact CD1-CD1 4.05Å; F207-L211 HydrophobicContact CE1-CD1 3.58Å; F207-L211 HydrophobicContact CE1-CG 4.3Å; F207-L211 HydrophobicContact CZ-CD1 3.93Å; F207-L211 HydrophobicContact CZ-CG 4.26Å; F207-L211 WeakPolarHBondContact O-CB 2.9Å; F207-L211 WeakPolarHBondContact O-CG 3.22Å; F207-L211 PolarHBondContact O-N 2.82Å; L211-I214 PolarHBondContact O-N 2.67Å; L211-Q215 PolarHBondContact O-N 3.34Å
212	K	79.3	Confident	65.9	Low	124 Å²	124	111.1 Å²	111.1	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-65.1	-43.7	173.4	-171.9	177.8	179.4	-82.1	0	111.1	K208 E209 E210 I214 Q215 E216	K208-K212 VanDerWaalsContact O-CB 3.31Å; K208-K212 WeakPolarHBondContact O-CB 3.4Å; K208-K212 PolarHBondContact O-N 3Å; E209-K212 PolarHBondContact O-N 3.45Å; E210-K212 VanDerWaalsContact C-N 3.3Å; E210-K212 PolarHBondContact O-N 3.17Å; K212-I214 PolarHBondContact O-N 2.63Å; K212-Q215 PolarHBondContact O-N 3.28Å; K212-E216 IonicContact NZ-OE1 2.68Å; K212-E216 IonicContact NZ-OE2 3.24Å; K212-E216 PolarHBondContact NZ-OE2 3.07Å; K212-E216 WeakPolarHBondContact O-CB 3.46Å; K212-E216 PolarHBondContact O-N 3.32Å
213	Q	68.8	Low	65.3	Low	129 Å²	129	114.7 Å²	114.7	60%	0.603	53%	0.531	S	S	*	.	H	α-helix	trans	-61.3	-41.9	175.4	-86.8	-174.6	-2.3	0	0	112.4	E209 E210 Q215 E216 E217	E209-Q213 WeakPolarHBondContact O-CB 3.22Å; E209-Q213 PolarHBondContact O-N 3.29Å; E210-Q213 PolarHBondContact O-N 2.85Å; Q213-Q215 PolarHBondContact O-N 3.18Å; Q213-E216 PolarHBondContact O-N 2.78Å; Q213-E217 WeakPolarHBondContact O-CB 3.48Å; Q213-E217 PolarHBondContact O-N 2.89Å
214	I	72.4	Confident	64.5	Low	71 Å²	71	111.5 Å²	111.5	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-30.2	178.5	-68.4	163.5	0	0	0	112.1	E210 L211 K212 R218	E210-I214 HydrophobicContact CG-CD1 4.11Å; E210-I214 WeakPolarHBondContact O-CG1 3.4Å; E210-I214 PolarHBondContact O-N 2.93Å; L211-I214 PolarHBondContact O-N 2.67Å; K212-I214 PolarHBondContact O-N 2.63Å; I214-R218 PolarHBondContact O-N 3.34Å
215	Q	59.4	Low	64.5	Low	106 Å²	106	114.2 Å²	114.2	50%	0.495	52%	0.524	S	S	.	.	H	α-helix	trans	-79	-47.1	174.2	-167.6	61.4	49.1	0	0	111.6	L211 K212 Q213 E217 R218 D219	L211-Q215 PolarHBondContact O-N 3.34Å; K212-Q215 PolarHBondContact O-N 3.28Å; Q213-Q215 PolarHBondContact O-N 3.18Å; Q215-E217 VanDerWaalsContact C-N 3.3Å; Q215-E217 PolarHBondContact O-N 3.42Å; Q215-R218 WeakPolarHBondContact O-CB 3.47Å; Q215-R218 PolarHBondContact O-N 2.97Å; Q215-R218 VanDerWaalsContact O-N 3.09Å; Q215-D219 PolarHBondContact NE2-OD1 3.33Å; Q215-D219 VanDerWaalsContact O-CG 3.28Å; Q215-D219 PolarHBondContact O-N 3.34Å
216	E	63	Low	63.6	Low	98 Å²	98	112.6 Å²	112.6	46%	0.458	53%	0.533	S	S	.	.	H	α-helix	trans	-64.2	-33.8	178.8	-169.1	155.8	-149.2	0	0	111.7	K212 Q213 D219 E220	K212-E216 IonicContact NZ-OE1 2.68Å; K212-E216 IonicContact NZ-OE2 3.24Å; K212-E216 PolarHBondContact NZ-OE2 3.07Å; K212-E216 WeakPolarHBondContact O-CB 3.46Å; K212-E216 PolarHBondContact O-N 3.32Å; Q213-E216 PolarHBondContact O-N 2.78Å; E216-D219 PolarHBondContact O-N 2.99Å; E216-E220 VanDerWaalsContact O-CB 3.31Å; E216-E220 WeakPolarHBondContact O-CB 3.49Å; E216-E220 VanDerWaalsContact O-CG 3.27Å; E216-E220 WeakPolarHBondContact O-CG 3.45Å; E216-E220 PolarHBondContact O-N 2.9Å
217	E	69.8	Low	62	Low	90 Å²	90	118.3 Å²	118.3	42%	0.421	55%	0.548	S	S	.	.	H	α-helix	trans	-67.4	-39.4	171.1	-171.7	-163.5	-172.9	0	0	112	Q213 Q215 R221	Q213-E217 WeakPolarHBondContact O-CB 3.48Å; Q213-E217 PolarHBondContact O-N 2.89Å; Q215-E217 VanDerWaalsContact C-N 3.3Å; Q215-E217 PolarHBondContact O-N 3.42Å; E217-R221 WeakPolarHBondContact O-CB 3.27Å; E217-R221 WeakPolarHBondContact O-CD 3.43Å; E217-R221 WeakPolarHBondContact O-CG 3.38Å; E217-R221 PolarHBondContact O-N 3.42Å; E217-R221 IonicContact OE1-CZ 2.6Å; E217-R221 VanDerWaalsContact OE1-CZ 3.31Å; E217-R221 IonicContact OE1-NE 2.74Å; E217-R221 PolarHBondContact OE1-NE 2.93Å; E217-R221 VanDerWaalsContact OE1-NE 3.14Å; E217-R221 IonicContact OE1-NH2 3.7Å; E217-R221 PolarHBondContact OE1-NH2 3.07Å
218	R	56.1	Low	60.5	Low	152 Å²	152	120.4 Å²	120.4	57%	0.574	56%	0.564	S	S	*	*	H	α-helix	trans	-63.4	-43.8	172.4	-91.3	-174.8	166.3	78.2	-0.2	111.3	I214 Q215 R221 H222	I214-R218 PolarHBondContact O-N 3.34Å; Q215-R218 WeakPolarHBondContact O-CB 3.47Å; Q215-R218 PolarHBondContact O-N 2.97Å; Q215-R218 VanDerWaalsContact O-N 3.09Å; R218-R221 PolarHBondContact O-N 3.44Å; R218-H222 PolarHBondContact O-N 3.1Å
219	D	64.5	Low	58.9	Low	90 Å²	90	119.3 Å²	119.3	48%	0.481	57%	0.574	S	S	.	*	H	α-helix	trans	-70.2	-38.4	-178.9	-62.9	-16.1	0	0	0	110.7	Q215 E216 H222 K223	Q215-D219 PolarHBondContact NE2-OD1 3.33Å; Q215-D219 VanDerWaalsContact O-CG 3.28Å; Q215-D219 PolarHBondContact O-N 3.34Å; E216-D219 PolarHBondContact O-N 2.99Å; D219-H222 WeakPolarHBondContact O-CB 3.46Å; D219-H222 PolarHBondContact O-N 3Å; D219-K223 WeakPolarHBondContact O-CB 3.35Å; D219-K223 PolarHBondContact O-N 3.24Å
220	E	62.3	Low	57	Low	116 Å²	116	126 Å²	126	54%	0.542	60%	0.596	S	S	.	*	H	α-helix	trans	-61.8	-42.6	169.1	-79.1	-116.6	113.3	0	0	112.2	E216 H222 K223 T224	E216-E220 VanDerWaalsContact O-CB 3.31Å; E216-E220 WeakPolarHBondContact O-CB 3.49Å; E216-E220 VanDerWaalsContact O-CG 3.27Å; E216-E220 WeakPolarHBondContact O-CG 3.45Å; E216-E220 PolarHBondContact O-N 2.9Å; E220-H222 VanDerWaalsContact C-N 3.28Å; E220-H222 PolarHBondContact O-N 3.01Å; E220-K223 PolarHBondContact O-N 2.6Å; E220-T224 WeakPolarHBondContact O-CB 3.37Å; E220-T224 WeakPolarHBondContact O-CG2 3.3Å; E220-T224 PolarHBondContact O-N 3Å; E220-T224 PolarHBondContact O-OG1 3.17Å
221	R	60.3	Low	54.8	Low	155 Å²	155	131.6 Å²	131.6	59%	0.585	62%	0.619	S	S	*	*	H	α-helix	trans	-62.1	-34.4	174	-73.7	164.4	-176.9	-92.9	8.6	111.9	E217 R218 T224 K225	E217-R221 WeakPolarHBondContact O-CB 3.27Å; E217-R221 WeakPolarHBondContact O-CD 3.43Å; E217-R221 WeakPolarHBondContact O-CG 3.38Å; E217-R221 PolarHBondContact O-N 3.42Å; E217-R221 IonicContact OE1-CZ 2.6Å; E217-R221 VanDerWaalsContact OE1-CZ 3.31Å; E217-R221 IonicContact OE1-NE 2.74Å; E217-R221 PolarHBondContact OE1-NE 2.93Å; E217-R221 VanDerWaalsContact OE1-NE 3.14Å; E217-R221 IonicContact OE1-NH2 3.7Å; E217-R221 PolarHBondContact OE1-NH2 3.07Å; R218-R221 PolarHBondContact O-N 3.44Å; R221-T224 WeakPolarHBondContact CA-OG1 3.42Å; R221-T224 PolarHBondContact O-OG1 2.93Å; R221-K225 WeakPolarHBondContact O-CB 3.48Å; R221-K225 PolarHBondContact O-N 3.06Å
222	H	56.8	Low	52.9	Low	155 Å²	155	135.2 Å²	135.2	72%	0.718	63%	0.633	S	S	*	*	H	α-helix	trans	-70.3	-43.9	170.6	-108.4	-104.1	0	0	0	112.5	R218 D219 E220 K225 G226	R218-H222 PolarHBondContact O-N 3.1Å; D219-H222 WeakPolarHBondContact O-CB 3.46Å; D219-H222 PolarHBondContact O-N 3Å; E220-H222 VanDerWaalsContact C-N 3.28Å; E220-H222 PolarHBondContact O-N 3.01Å; H222-K225 PolarHBondContact O-N 2.71Å; H222-G226 PolarHBondContact O-N 3.26Å; H222-G226 VanDerWaalsContact O-N 3.13Å
223	K	59.1	Low	51.9	Low	149 Å²	149	133.8 Å²	133.8	65%	0.648	64%	0.637	S	S	*	*	H	α-helix	trans	-72.1	-33	-175.4	-162.1	173.9	-169.1	175.3	0	113.2	D219 E220 G226	D219-K223 WeakPolarHBondContact O-CB 3.35Å; D219-K223 PolarHBondContact O-N 3.24Å; E220-K223 PolarHBondContact O-N 2.6Å; K223-G226 PolarHBondContact O-N 3.38Å
224	T	44.3	Very low	50.4	Low	75 Å²	75	133 Å²	133	46%	0.46	64%	0.643	S	S	.	*	H	α-helix	trans	-72.5	-41.2	172.4	47.8	0	0	0	0	111.6	E220 R221 G226 R227	E220-T224 WeakPolarHBondContact O-CB 3.37Å; E220-T224 WeakPolarHBondContact O-CG2 3.3Å; E220-T224 PolarHBondContact O-N 3Å; E220-T224 PolarHBondContact O-OG1 3.17Å; R221-T224 WeakPolarHBondContact CA-OG1 3.42Å; R221-T224 PolarHBondContact O-OG1 2.93Å; T224-G226 PolarHBondContact O-N 3.05Å; T224-R227 PolarHBondContact O-N 3.42Å
225	K	51.6	Low	48.4	Very low	174 Å²	174	137 Å²	137	76%	0.757	66%	0.66	S	S	*	*	H	α-helix	trans	-59	-31	172.2	-160.3	175	-175.4	-175.5	0	112	R221 H222	R221-K225 WeakPolarHBondContact O-CB 3.48Å; R221-K225 PolarHBondContact O-N 3.06Å; H222-K225 PolarHBondContact O-N 2.71Å
226	G	43.7	Very low	46.8	Very low	62 Å²	62	137.3 Å²	137.3	64%	0.639	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-8.1	171.5	0	0	0	0	0	116.8	H222 K223 T224	H222-G226 PolarHBondContact O-N 3.26Å; H222-G226 VanDerWaalsContact O-N 3.13Å; K223-G226 PolarHBondContact O-N 3.38Å; T224-G226 PolarHBondContact O-N 3.05Å
227	R	38.6	Very low	45.1	Very low	213 Å²	213	138.8 Å²	138.8	80%	0.804	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-9	177.9	-79.8	-157.2	-165.8	-112	12.7	115.1	T224	T224-R227 PolarHBondContact O-N 3.42Å
228	L	35.6	Very low	43.1	Very low	160 Å²	160	138.8 Å²	138.8	84%	0.838	70%	0.695	S	S	*	*	S	Bend	trans	-90.9	0.4	-178.6	-87.4	152.8	0	0	0	114.5
229	S	36.2	Very low	41.7	Very low	116 Å²	116	139.1 Å²	139.1	81%	0.811	71%	0.708	S	S	*	*	S	Bend	trans	-114.7	58.5	174.3	-161	0	0	0	0	111.5
230	R	33.8	Very low	40	Very low	220 Å²	220	138 Å²	138	83%	0.83	72%	0.718	S	S	*	*			trans	-159	74.4	169	-167.9	-178.5	-70.3	-153.9	-3.6	112.2
231	F	25.8	Very low	38.4	Very low	216 Å²	216	139.9 Å²	139.9	95%	0.947	73%	0.727	S	S	*	*			trans	-156.3	122.9	149.1	-134.2	-85.4	0	0	0	110.2
232	E	29.7	Very low	36.8	Very low	169 Å²	169	141.7 Å²	141.7	79%	0.79	73%	0.734	S	S	*	*			trans	-167	165.9	-173.5	-150.7	-150	146.9	0	0	108.2
233	P	58	Low	35.5	Very low	93 Å²	93	145.2 Å²	145.2	60%	0.604	74%	0.74	S	S	*	*				-95.6	-165.9	-72.4	35.5	-25.9	0	0	0	110.8
234	P	37.8	Very low	34.1	Very low	113 Å²	113	142.6 Å²	142.6	73%	0.734	74%	0.741	S	S	*	*				-150.7	176.4	94.6	39.1	-21.7	0	0	0	114
235	Q	30.4	Very low	33.3	Very low	155 Å²	155	146.8 Å²	146.8	72%	0.724	76%	0.757	S	S	*	*			cis	-169.8	150.6	-27.7	-103.3	179.3	-99.5	0	0	107.5
236	S	25.9	Very low	32	Very low	112 Å²	112	145.7 Å²	145.7	78%	0.783	76%	0.76	S	S	*	*			trans	171.3	131.4	139.6	57.9	0	0	0	0	111.5
237	D	26.6	Very low	31.2	Very low	130 Å²	130	149.3 Å²	149.3	70%	0.695	77%	0.769	S	S	*	*			cis	-165	-176.6	-17.1	-128.8	-40.3	0	0	0	113.4
238	S	27.4	Very low	31.6	Very low	90 Å²	90	144.2 Å²	144.2	63%	0.629	76%	0.764	S	S	*	*			trans	75.5	103.1	164.3	76.4	0	0	0	0	120.4
239	D	27.7	Very low	31.2	Very low	159 Å²	159	141.2 Å²	141.2	85%	0.85	76%	0.756	S	S	*	*				56.8	143.8	122.6	-61.6	-58	0	0	0	123.5
240	G	28.5	Very low	30.8	Very low	67 Å²	67	146 Å²	146	69%	0.691	76%	0.756	S	S	*	*			cis	169	162.1	-7.1	0	0	0	0	0	117.5
241	Q	28.8	Very low	30.6	Very low	155 Å²	155	145.9 Å²	145.9	72%	0.724	76%	0.756	S	S	*	*			trans	72.7	99.8	158.6	-59.3	-160.5	19.9	0	0	123.6
242	R	27.7	Very low	30.7	Very low	193 Å²	193	142.9 Å²	142.9	73%	0.728	75%	0.75	S	S	*	*				80.8	124.5	114.2	-72.5	175.8	176.6	-167.9	0.7	122.8
243	R	29.4	Very low	30.5	Very low	228 Å²	228	146.8 Å²	146.8	86%	0.86	76%	0.757	S	S	*	*			trans	72.3	157.4	139.7	-69.5	-178.6	-178.3	-147.5	0.4	117.5
244	S	28.1	Very low	29.7	Very low	95 Å²	95	147 Å²	147	66%	0.664	76%	0.761	S	S	*	*			cis	-171.6	148.2	-24.3	179.5	0	0	0	0	110
245	M	27.7	Very low	29.2	Very low	163 Å²	163	146.5 Å²	146.5	80%	0.803	76%	0.76	S	S	*	*			trans	73.5	142.8	164.2	-82.1	166	169.9	0	0	120.8
246	D	25.8	Very low	29.8	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	76%	0.761	S	S	*	*			trans	72.1	157.9	151.1	-57.9	-23.3	0	0	0	123.8
247	V	25.1	Very low	30.2	Very low	138 Å²	138	146.9 Å²	146.9	84%	0.836	76%	0.762	S	S	*	*			trans	-152.2	154	-155.6	156.5	0	0	0	0	105.3
248	P	47.5	Very low	30.5	Very low	107 Å²	107	148.3 Å²	148.3	70%	0.695	77%	0.77	S	S	*	*			cis	-134.3	165.9	14	35.7	-17.2	0	0	0	117
249	S	27.5	Very low	31.1	Very low	97 Å²	97	151 Å²	151	68%	0.678	78%	0.777	S	S	*	*				171.1	127.8	107.5	-82.2	0	0	0	0	117.7
250	R	28.5	Very low	31.4	Very low	215 Å²	215	153.8 Å²	153.8	81%	0.811	78%	0.777	S	S	*	*			trans	62.5	113.2	139	-63.3	-179.3	176.7	-159.2	-1	121.4
251	R	29.4	Very low	31.7	Very low	219 Å²	219	154.7 Å²	154.7	83%	0.826	78%	0.778	S	S	*	*				56.5	134.5	123.3	-61.5	-178.8	-179.4	179.9	-2.4	118.6
252	N	28.6	Very low	32.3	Very low	153 Å²	153	153.3 Å²	153.3	82%	0.818	78%	0.782	S	S	*	*			cis	-159.2	134.9	3.7	-136.3	57.7	0	0	0	109.3
253	R	25.3	Very low	32.7	Very low	250 Å²	250	146.4 Å²	146.4	94%	0.943	77%	0.771	S	S	*	*			trans	-152.2	154.6	164.5	-165.7	174.2	-88.4	-150	-1.8	111.1
254	S	39.7	Very low	33.2	Very low	99 Å²	99	139.7 Å²	139.7	69%	0.692	76%	0.759	S	S	*	*			trans	-56.9	156.3	-166.6	-160.4	0	0	0	0	118.6
255	S	28.8	Very low	33.8	Very low	102 Å²	102	142.8 Å²	142.8	71%	0.713	76%	0.763	S	S	*	*			trans	-160.7	128.7	149.4	170	0	0	0	0	105.5
256	V	43.2	Very low	34.8	Very low	120 Å²	120	139.3 Å²	139.3	73%	0.727	75%	0.748	S	S	*	*			cis	66	72.1	21.7	-164	0	0	0	0	113.1
257	L	33.8	Very low	35.9	Very low	155 Å²	155	136.7 Å²	136.7	81%	0.812	74%	0.737	S	S	*	*			trans	-172.2	119.7	144.9	-137	71.9	0	0	0	109.1
258	D	32	Very low	37.2	Very low	160 Å²	160	132.9 Å²	132.9	86%	0.856	73%	0.726	S	S	*	*				-176.2	82.6	117.9	-133.2	-17.8	0	0	0	110.9
259	D	39.8	Very low	38	Very low	147 Å²	147	130.2 Å²	130.2	79%	0.786	71%	0.706	S	S	*	*			trans	-137.8	94.6	160.2	-175	24.6	0	0	0	108.8
260	Y	35.5	Very low	39.8	Very low	216 Å²	216	130.5 Å²	130.5	85%	0.847	71%	0.705	S	S	*	*			trans	-164.2	61.3	163.2	-115.8	-68.3	0	0	0	112.1	P262	Y260-P262 VanDerWaalsContact O-CD 3.32Å; Y260-P262 WeakPolarHBondContact O-CD 3.34Å
261	A	34.7	Very low	42	Very low	87 Å²	87	124.1 Å²	124.1	72%	0.719	69%	0.693	S	S	*	*			trans	-82.4	109.6	164.7	0	0	0	0	0	109.3	G263	A261-G263 PolarHBondContact O-N 3.23Å; A261-G263 VanDerWaalsContact O-N 3.16Å
262	P	41.4	Very low	44.6	Very low	125 Å²	125	113.7 Å²	113.7	81%	0.812	65%	0.654	S	S	*	*			trans	-62.7	121.1	-171.6	23.7	-33.6	0	0	0	111.6	Y260	Y260-P262 VanDerWaalsContact O-CD 3.32Å; Y260-P262 WeakPolarHBondContact O-CD 3.34Å
263	G	34.7	Very low	47.5	Very low	48 Å²	48	106.9 Å²	106.9	50%	0.495	62%	0.618	S	S	.	*			trans	-72.7	155.2	-157.1	0	0	0	0	0	116.5	A261 H265	A261-G263 PolarHBondContact O-N 3.23Å; A261-G263 VanDerWaalsContact O-N 3.16Å; G263-H265 PolarHBondContact O-N 3.46Å; G263-H265 PolarHBondContact O-ND1 2.79Å
264	S	40.5	Very low	50.8	Low	87 Å²	87	95.4 Å²	95.4	61%	0.608	58%	0.575	S	S	*	*			trans	-69.3	78.4	160	-179	0	0	0	0	109.3
265	H	41.5	Very low	53.3	Low	160 Å²	160	90.7 Å²	90.7	74%	0.741	54%	0.542	S	S	*	.			trans	-53.5	158.8	171.3	-79	74.7	0	0	0	111.5	G263 V267	G263-H265 PolarHBondContact O-N 3.46Å; G263-H265 PolarHBondContact O-ND1 2.79Å; H265-V267 PolarHBondContact O-N 3.13Å
266	D	48.1	Very low	56.5	Low	91 Å²	91	90.1 Å²	90.1	49%	0.487	53%	0.525	S	S	.	.			trans	-44.8	130	167	178.5	10.6	0	0	0	110.3	G268 W351	D266-G268 PolarHBondContact O-N 2.83Å; D266-G268 PolarHBondContact OD1-N 3.19Å; D266-W351 HydrophobicContact CB-CB 4.49Å
267	V	49.2	Very low	58.9	Low	95 Å²	95	84.4 Å²	84.4	58%	0.576	49%	0.491	S	S	*	.			trans	-73.4	-6.8	-179.6	-176.1	0	0	0	0	111	H265 D269 K353	H265-V267 PolarHBondContact O-N 3.13Å; V267-D269 VanDerWaalsContact C-N 3.29Å; V267-K353 HydrophobicContact CG2-CG 4.49Å
268	G	51.7	Low	61.7	Low	58 Å²	58	77.3 Å²	77.3	60%	0.598	46%	0.455	S	S	*	.	S	Bend	trans	72.6	26.6	-178.1	0	0	0	0	0	112.1	D266 P270	D266-G268 PolarHBondContact O-N 2.83Å; D266-G268 PolarHBondContact OD1-N 3.19Å; G268-P270 WeakPolarHBondContact O-CD 3.28Å
269	D	64.6	Low	64.4	Low	51 Å²	51	71.5 Å²	71.5	27%	0.273	42%	0.424	S	S	.	.			trans	-111.1	99.1	177.7	175.7	5.4	0	0	0	109.3	V267 S271 T272	V267-D269 VanDerWaalsContact C-N 3.29Å; D269-S271 PolarHBondContact O-N 3.21Å; D269-S271 WeakPolarHBondContact OD1-CA 3.36Å; D269-S271 WeakPolarHBondContact OD1-CB 3.43Å; D269-S271 PolarHBondContact OD1-N 3.05Å; D269-S271 PolarHBondContact OD1-OG 3.01Å; D269-S271 PolarHBondContact OD2-OG 2.9Å; D269-T272 HydrophobicContact CB-CG2 3.91Å; D269-T272 WeakPolarHBondContact O-CB 3.38Å; D269-T272 PolarHBondContact O-N 3.46Å; D269-T272 PolarHBondContact O-OG1 3.16Å
270	P	65.8	Low	66.9	Low	103 Å²	103	64.6 Å²	64.6	67%	0.669	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-3.1	178.9	-21.8	34.1	0	0	0	114.7	G268 R327	G268-P270 WeakPolarHBondContact O-CD 3.28Å; P270-R327 VanDerWaalsContact O-CD 3.32Å; P270-R327 WeakPolarHBondContact O-CD 3.11Å; P270-R327 WeakPolarHBondContact O-CG 3.3Å; P270-R327 PolarHBondContact O-NE 3.02Å
271	S	73.8	Confident	69.5	Low	80 Å²	80	55 Å²	55	56%	0.559	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.1	173.8	76.5	0	0	0	0	114	D269 T273	D269-S271 PolarHBondContact O-N 3.21Å; D269-S271 WeakPolarHBondContact OD1-CA 3.36Å; D269-S271 WeakPolarHBondContact OD1-CB 3.43Å; D269-S271 PolarHBondContact OD1-N 3.05Å; D269-S271 PolarHBondContact OD1-OG 3.01Å; D269-S271 PolarHBondContact OD2-OG 2.9Å; S271-T273 PolarHBondContact O-N 3.44Å; S271-T273 VanDerWaalsContact O-N 3.11Å
272	T	84.9	Confident	72	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	33%	0.33	C	S	.	.			trans	-62.5	110.5	176.8	46.1	0	0	0	0	111.7	D269 R327 W351 A354	D269-T272 HydrophobicContact CB-CG2 3.91Å; D269-T272 WeakPolarHBondContact O-CB 3.38Å; D269-T272 PolarHBondContact O-N 3.46Å; D269-T272 PolarHBondContact O-OG1 3.16Å; T272-R327 WeakPolarHBondContact O-CD 3.31Å; T272-R327 PolarHBondContact O-NH2 3.25Å; T272-R327 PolarHBondContact OG1-NH2 2.85Å; T272-W351 WeakPolarHBondContact O-CZ3 3.49Å; T272-A354 HydrophobicContact CG2-CB 3.94Å
273	T	89.3	Confident	74.1	Confident	9 Å²	9	54 Å²	54	6%	0.055	32%	0.324	C	S	.	.			trans	-93	6.2	174.4	70	0	0	0	0	113.6	S271 A323 F324 R327 I357	S271-T273 PolarHBondContact O-N 3.44Å; S271-T273 VanDerWaalsContact O-N 3.11Å; T273-A323 WeakPolarHBondContact O-CA 3.37Å; T273-F324 WeakPolarHBondContact CB-O 3.35Å; T273-F324 PolarHBondContact O-N 2.91Å; T273-F324 PolarHBondContact OG1-O 3.31Å; T273-R327 HydrophobicContact CG2-CB 4.25Å; T273-I357 HydrophobicContact CG2-CD1 3.82Å
274	N	93.1	Very high	76.7	Confident	9 Å²	9	52 Å²	52	5%	0.048	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.9	-173.5	-172.5	31.5	0	0	0	111.5	V322 A323 G352 K353 V355	N274-V322 PolarHBondContact OD1-O 2.92Å; N274-A323 HydrophobicContact CB-CB 4.15Å; N274-G352 WeakPolarHBondContact O-CA 3.41Å; N274-G352 PolarHBondContact O-N 2.99Å; N274-K353 WeakPolarHBondContact CB-O 3.18Å; N274-K353 PolarHBondContact ND2-O 2.85Å; N274-V355 HydrophobicContact CB-CG2 4.38Å
275	L	94	Very high	79.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135	173.2	-59.2	179.7	0	0	0	109.7	L277 F293 F321 V322 F324 A330 A333 L334 G350 W351	L275-L277 HydrophobicContact CB-CD2 4.23Å; L275-F293 HydrophobicContact CD1-CD1 4.31Å; L275-F293 HydrophobicContact CD1-CE1 3.94Å; L275-F321 CarbonylContact O-C 3.58Å; L275-F321 VanDerWaalsContact O-CA 3.23Å; L275-F321 WeakPolarHBondContact O-CA 3.26Å; L275-V322 PolarHBondContact N-O 2.68Å; L275-V322 PolarHBondContact O-N 2.93Å; L275-F324 HydrophobicContact CD1-CE2 4Å; L275-A330 HydrophobicContact CD2-CB 4.42Å; L275-A330 HydrophobicContact CG-CB 4.36Å; L275-A333 HydrophobicContact CD1-CB 4.1Å; L275-L334 HydrophobicContact CD1-CB 4.42Å; L275-L334 HydrophobicContact CD2-CB 4.03Å; L275-L334 HydrophobicContact CD2-CD1 4.4Å; L275-L334 HydrophobicContact CD2-CD2 4.42Å; L275-G350 CarbonylContact C-O 3.59Å; L275-G350 WeakPolarHBondContact CA-O 3.41Å; L275-W351 HydrophobicContact CD2-CD2 4.27Å; L275-W351 HydrophobicContact CD2-CE3 3.66Å; L275-W351 HydrophobicContact CD2-CH2 3.76Å; L275-W351 HydrophobicContact CD2-CZ2 4.38Å; L275-W351 HydrophobicContact CD2-CZ3 3.38Å; L275-W351 HydrophobicContact CG-CZ3 4.45Å
276	Y	94.1	Very high	81.5	Confident	91 Å²	91	48.1 Å²	48.1	36%	0.357	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139.7	158.8	172.9	-109.5	0	0	0	109.5	C319 G320 F321 L349 G350	Y276-C319 HydrophobicContact CE2-CB 4.15Å; Y276-C319 PolarHBondContact OH-SG 2.94Å; Y276-G320 WeakPolarHBondContact CD2-O 3.34Å; Y276-F321 HydrophobicContact CD2-CD1 4.26Å; Y276-F321 AromaticContact CD2-CE1 3.68Å; Y276-F321 HydrophobicContact CD2-CE1 3.68Å; Y276-F321 HydrophobicContact CD2-CE2 4.21Å; Y276-F321 AromaticContact CD2-CZ 3.65Å; Y276-F321 HydrophobicContact CD2-CZ 3.65Å; Y276-F321 HydrophobicContact CE2-CZ 4.35Å; Y276-F321 HydrophobicContact CG-CE1 4.25Å; Y276-L349 WeakPolarHBondContact O-CA 3.45Å; Y276-G350 PolarHBondContact N-O 3.47Å; Y276-G350 PolarHBondContact O-N 3.21Å; Y276-G350 VanDerWaalsContact O-N 3.13Å
277	L	94.4	Very high	83.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.6	175.9	-46.5	-170.2	0	0	0	109.3	L275 I280 L289 F293 C319 G320 V322 L349	L275-L277 HydrophobicContact CB-CD2 4.23Å; L277-I280 HydrophobicContact CB-CD1 3.65Å; L277-I280 HydrophobicContact CB-CG1 4.11Å; L277-I280 HydrophobicContact CD1-CD1 3.87Å; L277-I280 HydrophobicContact CG-CD1 4.44Å; L277-L289 HydrophobicContact CD1-CD1 3.93Å; L277-L289 HydrophobicContact CD1-CD2 3.4Å; L277-L289 VanDerWaalsContact CD1-CD2 3.4Å; L277-L289 HydrophobicContact CD1-CG 4.33Å; L277-F293 HydrophobicContact CD1-CE2 4.1Å; L277-F293 HydrophobicContact CD1-CZ 4.22Å; L277-F293 HydrophobicContact CD2-CE1 3.82Å; L277-F293 HydrophobicContact CD2-CE2 4.16Å; L277-F293 HydrophobicContact CD2-CZ 3.45Å; L277-F293 VanDerWaalsContact CD2-CZ 3.45Å; L277-F293 HydrophobicContact CG-CZ 4.49Å; L277-C319 CarbonylContact O-C 3.58Å; L277-C319 WeakPolarHBondContact O-CA 3.4Å; L277-G320 PolarHBondContact N-O 2.71Å; L277-G320 PolarHBondContact O-N 3.33Å; L277-V322 HydrophobicContact CD1-CG2 3.71Å; L277-V322 HydrophobicContact CD2-CB 4.36Å; L277-V322 HydrophobicContact CD2-CG2 4.33Å; L277-V322 HydrophobicContact CG-CG2 4.32Å; L277-L349 HydrophobicContact CB-CD2 4.31Å; L277-L349 HydrophobicContact CD2-CD2 3.42Å; L277-L349 VanDerWaalsContact CD2-CD2 3.42Å; L277-L349 HydrophobicContact CG-CD2 4.42Å
278	G	91.8	Very high	85.5	Confident	6 Å²	6	49.5 Å²	49.5	6%	0.062	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	160	172.4	0	0	0	0	0	111.9	I280 K348	G278-I280 VanDerWaalsContact C-N 3.35Å; G278-I280 PolarHBondContact O-N 3.38Å; G278-K348 WeakPolarHBondContact CA-O 3.39Å; G278-K348 PolarHBondContact N-O 2.92Å; G278-K348 PolarHBondContact O-N 2.7Å
279	N	90.8	Very high	87.4	Confident	38 Å²	38	46.7 Å²	46.7	20%	0.203	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.5	41.4	177.3	-159.1	46	0	0	0	114.4	R317 N318 F345 E346	N279-R317 WeakPolarHBondContact OD1-CD 3.29Å; N279-N318 PolarHBondContact N-O 3.09Å; N279-F345 WeakPolarHBondContact O-CB 3.24Å; N279-E346 WeakPolarHBondContact CB-O 3.21Å; N279-E346 PolarHBondContact ND2-O 3.47Å
280	I	91.9	Very high	88.7	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	138.4	175.7	-59.3	171.8	0	0	0	109.8	L277 G278 M284 L289 N318	L277-I280 HydrophobicContact CB-CD1 3.65Å; L277-I280 HydrophobicContact CB-CG1 4.11Å; L277-I280 HydrophobicContact CD1-CD1 3.87Å; L277-I280 HydrophobicContact CG-CD1 4.44Å; G278-I280 VanDerWaalsContact C-N 3.35Å; G278-I280 PolarHBondContact O-N 3.38Å; I280-M284 HydrophobicContact CG2-CB 3.56Å; I280-M284 HydrophobicContact CG2-CE 3.71Å; I280-M284 HydrophobicContact CG2-CG 4.21Å; I280-M284 HydrophobicContact CG2-SD 3.98Å; I280-L289 HydrophobicContact CD1-CD1 4.46Å; I280-N318 HydrophobicContact CB-CB 3.93Å; I280-N318 HydrophobicContact CG2-CB 4.24Å; I280-N318 PolarHBondContact N-O 3.06Å; I280-N318 PolarHBondContact O-N 2.95Å
281	N	88.8	Confident	89.8	Confident	16 Å²	16	45.5 Å²	45.5	9%	0.086	23%	0.232	C	C	.	.			trans	-54.7	131.6	171.2	-178	-48.3	0	0	0	111	Q283 M284 M343 F345	N281-Q283 PolarHBondContact O-N 2.76Å; N281-Q283 VanDerWaalsContact O-N 3.07Å; N281-Q283 WeakPolarHBondContact OD1-CB 3.41Å; N281-Q283 PolarHBondContact OD1-N 3.17Å; N281-M284 HydrophobicContact CB-CB 4.47Å; N281-M284 VanDerWaalsContact O-CB 3.24Å; N281-M284 WeakPolarHBondContact O-CB 3.46Å; N281-M284 PolarHBondContact O-N 3.46Å; N281-M343 HydrophobicContact CB-CB 4.13Å; N281-M343 WeakPolarHBondContact ND2-CB 3.48Å; N281-M343 PolarHBondContact ND2-O 2.6Å; N281-F345 HydrophobicContact CB-CB 4.26Å; N281-F345 HydrophobicContact CB-CD2 3.5Å; N281-F345 VanDerWaalsContact CB-CD2 3.5Å; N281-F345 HydrophobicContact CB-CE2 3.94Å; N281-F345 HydrophobicContact CB-CG 3.9Å; N281-F345 WeakPolarHBondContact ND2-CD2 3.31Å; N281-F345 WeakPolarHBondContact ND2-CE2 3.42Å
282	P	86.9	Confident	90.6	Very high	46 Å²	46	44.5 Å²	44.5	30%	0.299	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-24.5	-179.7	-29.6	36.9	0	0	0	116.4	M284 E316 N318	P282-M284 VanDerWaalsContact C-N 3.32Å; P282-E316 WeakPolarHBondContact CD-O 3.42Å; P282-E316 WeakPolarHBondContact CG-O 3.49Å; P282-N318 PolarHBondContact O-ND2 3.31Å
283	Q	86.9	Confident	90.9	Very high	145 Å²	145	44.4 Å²	44.4	68%	0.678	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.7	177.7	-57.6	-175.3	-3.9	0	0	113.3	N281 M343	N281-Q283 PolarHBondContact O-N 2.76Å; N281-Q283 VanDerWaalsContact O-N 3.07Å; N281-Q283 WeakPolarHBondContact OD1-CB 3.41Å; N281-Q283 PolarHBondContact OD1-N 3.17Å; Q283-M343 HydrophobicContact CB-CE 4.12Å
284	M	88.8	Confident	90.8	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.025	22%	0.216	C	C	.	.			trans	-76	131.4	-175	-146	158.1	102.5	0	0	111	I280 N281 P282 M288 L289 I304 I342 M343 M347	I280-M284 HydrophobicContact CG2-CB 3.56Å; I280-M284 HydrophobicContact CG2-CE 3.71Å; I280-M284 HydrophobicContact CG2-CG 4.21Å; I280-M284 HydrophobicContact CG2-SD 3.98Å; N281-M284 HydrophobicContact CB-CB 4.47Å; N281-M284 VanDerWaalsContact O-CB 3.24Å; N281-M284 WeakPolarHBondContact O-CB 3.46Å; N281-M284 PolarHBondContact O-N 3.46Å; P282-M284 VanDerWaalsContact C-N 3.32Å; M284-M288 HydrophobicContact CG-CB 4.39Å; M284-M288 HydrophobicContact CG-CE 4.2Å; M284-L289 HydrophobicContact CE-CD2 3.29Å; M284-L289 HydrophobicContact CE-CG 3.76Å; M284-I304 WeakPolarHBondContact O-CD1 3.21Å; M284-I342 HydrophobicContact SD-CG2 3.93Å; M284-M343 HydrophobicContact CG-SD 4.24Å; M284-M343 HydrophobicContact SD-SD 4.43Å; M284-M347 HydrophobicContact CE-SD 4.14Å
285	N	92.1	Very high	90.4	Very high	83 Å²	83	51.5 Å²	51.5	44%	0.444	24%	0.243	S	C	.	.			trans	-106.1	159.5	-177.3	-72.3	-36.8	0	0	0	111.7	E287 M288 L289	N285-E287 PolarHBondContact O-N 3.48Å; N285-M288 HydrophobicContact CB-CE 4.31Å; N285-M288 PolarHBondContact O-N 3.23Å; N285-L289 PolarHBondContact O-N 2.74Å
286	E	91.4	Very high	90.1	Very high	82 Å²	82	53 Å²	53	38%	0.383	25%	0.25	S	S	.	.	H	α-helix	trans	-58.2	-30.3	178	-68.3	179.6	170.9	0	0	112.3	C290 V302 K303 I304	E286-C290 PolarHBondContact O-N 3.28Å; E286-C290 PolarHBondContact O-SG 3.06Å; E286-V302 HydrophobicContact CB-CG1 4.16Å; E286-V302 HydrophobicContact CG-CG1 4.33Å; E286-K303 WeakPolarHBondContact OE1-CA 3.34Å; E286-I304 HydrophobicContact CG-CB 4.3Å; E286-I304 HydrophobicContact CG-CD1 4Å; E286-I304 HydrophobicContact CG-CG1 3.82Å; E286-I304 PolarHBondContact OE1-N 3.25Å
287	E	90	Very high	89.8	Confident	149 Å²	149	48.7 Å²	48.7	70%	0.696	23%	0.233	S	C	*	.	H	α-helix	trans	-68.2	-36.8	174.3	-64.1	-176.7	167.2	0	0	113.2	N285 C290 Q291	N285-E287 PolarHBondContact O-N 3.48Å; E287-C290 WeakPolarHBondContact O-CB 3.45Å; E287-C290 PolarHBondContact O-N 3.5Å; E287-Q291 WeakPolarHBondContact O-CG 3.32Å; E287-Q291 PolarHBondContact O-N 3.36Å
288	M	90.4	Very high	89.6	Confident	66 Å²	66	48.7 Å²	48.7	33%	0.325	23%	0.233	S	C	.	.	H	α-helix	trans	-76	-35	177.8	-61.2	-167.8	-63.5	0	0	110.9	M284 N285 C290 Q291 E292 M343	M284-M288 HydrophobicContact CG-CB 4.39Å; M284-M288 HydrophobicContact CG-CE 4.2Å; N285-M288 HydrophobicContact CB-CE 4.31Å; N285-M288 PolarHBondContact O-N 3.23Å; M288-C290 VanDerWaalsContact C-N 3.33Å; M288-Q291 PolarHBondContact O-N 3.45Å; M288-E292 PolarHBondContact O-N 3.21Å; M288-M343 HydrophobicContact CE-SD 4.15Å
289	L	91.8	Very high	89.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-41.7	165.2	-80.6	173.2	0	0	0	112.2	L277 I280 M284 N285 Q291 F293 V302 I304	L277-L289 HydrophobicContact CD1-CD1 3.93Å; L277-L289 HydrophobicContact CD1-CD2 3.4Å; L277-L289 VanDerWaalsContact CD1-CD2 3.4Å; L277-L289 HydrophobicContact CD1-CG 4.33Å; I280-L289 HydrophobicContact CD1-CD1 4.46Å; M284-L289 HydrophobicContact CE-CD2 3.29Å; M284-L289 HydrophobicContact CE-CG 3.76Å; N285-L289 PolarHBondContact O-N 2.74Å; L289-Q291 VanDerWaalsContact C-N 3.29Å; L289-Q291 PolarHBondContact O-N 3.09Å; L289-F293 HydrophobicContact CD2-CD2 3.81Å; L289-F293 HydrophobicContact CD2-CE2 3.54Å; L289-F293 WeakPolarHBondContact O-CB 3.41Å; L289-F293 WeakPolarHBondContact O-CD2 3.41Å; L289-F293 PolarHBondContact O-N 3.42Å; L289-V302 HydrophobicContact CB-CG1 3.65Å; L289-V302 HydrophobicContact CD1-CG1 3.96Å; L289-V302 HydrophobicContact CG-CG1 4.47Å; L289-I304 HydrophobicContact CD1-CD1 3.84Å; L289-I304 HydrophobicContact CD1-CG1 3.58Å
290	C	91.1	Very high	89.6	Confident	16 Å²	16	46.9 Å²	46.9	11%	0.108	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-38.3	174.7	-70.8	0	0	0	0	112.2	E286 E287 M288 G294 L299 V302 Y363	E286-C290 PolarHBondContact O-N 3.28Å; E286-C290 PolarHBondContact O-SG 3.06Å; E287-C290 WeakPolarHBondContact O-CB 3.45Å; E287-C290 PolarHBondContact O-N 3.5Å; M288-C290 VanDerWaalsContact C-N 3.33Å; C290-G294 VanDerWaalsContact O-CA 3.24Å; C290-G294 WeakPolarHBondContact O-CA 3.32Å; C290-G294 PolarHBondContact O-N 3.31Å; C290-L299 HydrophobicContact CB-CD1 4.41Å; C290-V302 VanDerWaalsContact SG-CG2 3.58Å; C290-Y363 HydrophobicContact CB-CD2 3.59Å; C290-Y363 HydrophobicContact CB-CE2 4.06Å; C290-Y363 HydrophobicContact CB-CG 3.98Å; C290-Y363 WeakPolarHBondContact O-CE1 3.43Å
291	Q	88.9	Confident	89.6	Confident	112 Å²	112	48.9 Å²	48.9	52%	0.523	24%	0.237	S	C	.	.	H	α-helix	trans	-67.9	-50.8	178.2	-70.8	169.9	33.2	0	0	112	E287 M288 L289 R295	E287-Q291 WeakPolarHBondContact O-CG 3.32Å; E287-Q291 PolarHBondContact O-N 3.36Å; M288-Q291 PolarHBondContact O-N 3.45Å; L289-Q291 VanDerWaalsContact C-N 3.29Å; L289-Q291 PolarHBondContact O-N 3.09Å; Q291-R295 WeakPolarHBondContact O-CG 3.15Å
292	E	90.3	Very high	89.8	Confident	59 Å²	59	48.8 Å²	48.8	28%	0.276	24%	0.237	S	C	.	.	H	α-helix	trans	-70	-48.7	-177.7	-69.9	-59.4	162.8	0	0	113	M288 G294 R295 F296 I342	M288-E292 PolarHBondContact O-N 3.21Å; E292-G294 VanDerWaalsContact C-N 3.31Å; E292-G294 PolarHBondContact O-N 3.43Å; E292-R295 PolarHBondContact O-N 3.06Å; E292-R295 IonicContact OE2-NH1 2.56Å; E292-R295 PolarHBondContact OE2-NH1 2.78Å; E292-R295 VanDerWaalsContact OE2-NH1 3.08Å; E292-F296 WeakPolarHBondContact O-CE2 3.27Å; E292-I342 HydrophobicContact CG-CD1 4.38Å
293	F	91.6	Very high	90.1	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71.7	-29.2	179.4	-75.5	-94.8	0	0	0	112.3	L275 L277 L289 R295 F296 L299 V322 F324 A333 L337 M347 L349	L275-F293 HydrophobicContact CD1-CD1 4.31Å; L275-F293 HydrophobicContact CD1-CE1 3.94Å; L277-F293 HydrophobicContact CD1-CE2 4.1Å; L277-F293 HydrophobicContact CD1-CZ 4.22Å; L277-F293 HydrophobicContact CD2-CE1 3.82Å; L277-F293 HydrophobicContact CD2-CE2 4.16Å; L277-F293 HydrophobicContact CD2-CZ 3.45Å; L277-F293 VanDerWaalsContact CD2-CZ 3.45Å; L277-F293 HydrophobicContact CG-CZ 4.49Å; L289-F293 HydrophobicContact CD2-CD2 3.81Å; L289-F293 HydrophobicContact CD2-CE2 3.54Å; L289-F293 WeakPolarHBondContact O-CB 3.41Å; L289-F293 WeakPolarHBondContact O-CD2 3.41Å; L289-F293 PolarHBondContact O-N 3.42Å; F293-R295 PolarHBondContact O-N 3.31Å; F293-F296 PolarHBondContact O-N 2.89Å; F293-F296 VanDerWaalsContact O-N 3.15Å; F293-L299 HydrophobicContact CB-CD1 4.03Å; F293-L299 HydrophobicContact CB-CD2 4.09Å; F293-V322 HydrophobicContact CB-CG1 3.94Å; F293-V322 HydrophobicContact CD1-CB 4.23Å; F293-V322 HydrophobicContact CD1-CG1 3.93Å; F293-V322 HydrophobicContact CD1-CG2 4.44Å; F293-V322 HydrophobicContact CD2-CG2 4.2Å; F293-V322 HydrophobicContact CG-CB 4.36Å; F293-V322 HydrophobicContact CG-CG1 3.96Å; F293-V322 HydrophobicContact CG-CG2 4.15Å; F293-F324 HydrophobicContact CB-CZ 3.98Å; F293-F324 AromaticContact CD1-CE2 4Å; F293-F324 HydrophobicContact CD1-CE2 4Å; F293-F324 HydrophobicContact CD1-CZ 4.01Å; F293-F324 WeakPolarHBondContact O-CE1 3.43Å; F293-F324 WeakPolarHBondContact O-CZ 3.47Å; F293-A333 HydrophobicContact CD1-CB 4.1Å; F293-A333 HydrophobicContact CE1-CB 4.49Å; F293-L337 HydrophobicContact CD1-CD1 3.74Å; F293-L337 HydrophobicContact CD2-CD1 4.01Å; F293-L337 HydrophobicContact CE1-CD1 3.62Å; F293-L337 HydrophobicContact CE2-CD1 3.9Å; F293-L337 HydrophobicContact CG-CD1 3.92Å; F293-L337 HydrophobicContact CZ-CB 4.49Å; F293-L337 HydrophobicContact CZ-CD1 3.69Å; F293-M347 HydrophobicContact CE2-CE 3.6Å; F293-M347 HydrophobicContact CE2-SD 3.92Å; F293-M347 HydrophobicContact CZ-CE 3.51Å; F293-M347 HydrophobicContact CZ-SD 3.99Å; F293-L349 HydrophobicContact CE1-CD1 4.01Å; F293-L349 HydrophobicContact CZ-CD1 4.05Å; F293-L349 HydrophobicContact CZ-CD2 4.07Å
294	G	87.9	Confident	90.4	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-22.3	178.1	0	0	0	0	0	114.3	C290 E292 F296 G297 P365	C290-G294 VanDerWaalsContact O-CA 3.24Å; C290-G294 WeakPolarHBondContact O-CA 3.32Å; C290-G294 PolarHBondContact O-N 3.31Å; E292-G294 VanDerWaalsContact C-N 3.31Å; E292-G294 PolarHBondContact O-N 3.43Å; G294-F296 PolarHBondContact O-N 3.3Å; G294-G297 PolarHBondContact O-N 3.39Å; G294-P365 VanDerWaalsContact O-CB 3.31Å; G294-P365 WeakPolarHBondContact O-CB 3.44Å; G294-P365 WeakPolarHBondContact O-CG 3.1Å
295	R	84.8	Confident	90.4	Very high	165 Å²	165	48.4 Å²	48.4	62%	0.623	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.5	174.4	-64.6	165.9	75.6	162	7.6	112.5	Q291 E292 F293	Q291-R295 WeakPolarHBondContact O-CG 3.15Å; E292-R295 PolarHBondContact O-N 3.06Å; E292-R295 IonicContact OE2-NH1 2.56Å; E292-R295 PolarHBondContact OE2-NH1 2.78Å; E292-R295 VanDerWaalsContact OE2-NH1 3.08Å; F293-R295 PolarHBondContact O-N 3.31Å
296	F	87.8	Confident	90.2	Very high	32 Å²	32	50.5 Å²	50.5	14%	0.14	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-15.4	-173.6	-58	-80.9	0	0	0	114.2	E292 F293 G294 F324 D329 R332 A333 N336 L337	E292-F296 WeakPolarHBondContact O-CE2 3.27Å; F293-F296 PolarHBondContact O-N 2.89Å; F293-F296 VanDerWaalsContact O-N 3.15Å; G294-F296 PolarHBondContact O-N 3.3Å; F296-F324 HydrophobicContact CB-CE1 4.12Å; F296-F324 HydrophobicContact CB-CZ 4.35Å; F296-D329 WeakPolarHBondContact O-CB 3.32Å; F296-R332 HydrophobicContact CD1-CB 4.17Å; F296-R332 PolarHBondContact O-NH2 3.18Å; F296-A333 HydrophobicContact CB-CB 3.83Å; F296-A333 HydrophobicContact CD2-CB 3.95Å; F296-A333 HydrophobicContact CG-CB 3.86Å; F296-N336 HydrophobicContact CD1-CB 4.42Å; F296-N336 HydrophobicContact CE1-CB 3.42Å; F296-N336 VanDerWaalsContact CE1-CB 3.42Å; F296-N336 HydrophobicContact CZ-CB 3.59Å; F296-L337 HydrophobicContact CD2-CD1 4.06Å; F296-L337 HydrophobicContact CD2-CG 4.43Å; F296-L337 HydrophobicContact CE2-CD1 3.62Å; F296-L337 HydrophobicContact CE2-CD2 3.92Å; F296-L337 HydrophobicContact CE2-CG 3.63Å; F296-L337 HydrophobicContact CZ-CD2 4.2Å; F296-L337 HydrophobicContact CZ-CG 4.06Å
297	G	87.3	Confident	89.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	158.5	178.3	178.5	0	0	0	0	0	113.9	G294 P365	G294-G297 PolarHBondContact O-N 3.39Å; G297-P365 WeakPolarHBondContact O-CG 3.31Å
298	P	90.2	Very high	89.3	Confident	0 Å²	0	51 Å²	51	0%	0	23%	0.228	C	C	.	.			trans	-81.5	133	-172.5	26.5	-20.3	0	0	0	111.9	M325 D329 P361 P365 M368 Y510	P298-M325 HydrophobicContact CB-CG 4.16Å; P298-M325 HydrophobicContact CG-CB 4.06Å; P298-M325 HydrophobicContact CG-CG 4.1Å; P298-M325 WeakPolarHBondContact O-CB 3.42Å; P298-M325 WeakPolarHBondContact O-CG 3.32Å; P298-M325 PolarHBondContact O-N 3.27Å; P298-D329 VanDerWaalsContact CD-OD2 3.24Å; P298-D329 WeakPolarHBondContact CD-OD2 3.48Å; P298-P361 HydrophobicContact CB-CB 4.12Å; P298-P361 HydrophobicContact CB-CG 4.27Å; P298-P365 HydrophobicContact CB-CG 4.36Å; P298-M368 HydrophobicContact CB-SD 4.32Å; P298-M368 VanDerWaalsContact CD-SD 3.6Å; P298-M368 HydrophobicContact CG-CE 4.22Å; P298-M368 HydrophobicContact CG-SD 3.76Å; P298-Y510 HydrophobicContact CB-CD1 4.23Å; P298-Y510 HydrophobicContact CG-CD1 4.27Å; P298-Y510 HydrophobicContact CG-CG 4.48Å
299	L	91.9	Very high	88.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.4	-168.5	-49	-178.7	0	0	0	112.1	C290 F293 V302 V322 A323 F324 P361 I362 Y363	C290-L299 HydrophobicContact CB-CD1 4.41Å; F293-L299 HydrophobicContact CB-CD1 4.03Å; F293-L299 HydrophobicContact CB-CD2 4.09Å; L299-V302 HydrophobicContact CB-CG2 4.23Å; L299-V302 HydrophobicContact CD1-CG2 3.58Å; L299-V322 HydrophobicContact CD1-CG1 4.37Å; L299-V322 HydrophobicContact CD2-CG1 3.95Å; L299-A323 CarbonylContact C-O 3.6Å; L299-F324 HydrophobicContact CD2-CD1 3.57Å; L299-F324 HydrophobicContact CD2-CD2 4.25Å; L299-F324 HydrophobicContact CD2-CE1 3.31Å; L299-F324 HydrophobicContact CD2-CE2 4.02Å; L299-F324 HydrophobicContact CD2-CG 4.04Å; L299-F324 HydrophobicContact CD2-CZ 3.55Å; L299-P361 CarbonylContact O-C 3.56Å; L299-P361 VanDerWaalsContact O-CA 3.25Å; L299-P361 WeakPolarHBondContact O-CA 3.19Å; L299-P361 WeakPolarHBondContact O-CB 3.26Å; L299-I362 PolarHBondContact O-N 3.31Å; L299-Y363 HydrophobicContact CD1-CD1 4.39Å; L299-Y363 HydrophobicContact CD1-CG 4.37Å; L299-Y363 HydrophobicContact CG-CD1 4.35Å; L299-Y363 PolarHBondContact N-O 2.98Å; L299-Y363 PolarHBondContact O-N 3Å
300	A	90.6	Very high	88	Confident	5 Å²	5	56.4 Å²	56.4	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-36.9	173.9	0	0	0	0	0	113	A323 F324 M325 I357 P358	A300-A323 WeakPolarHBondContact CA-O 3.32Å; A300-A323 HydrophobicContact CB-CB 4.03Å; A300-A323 WeakPolarHBondContact CB-O 3.31Å; A300-A323 PolarHBondContact N-O 3.07Å; A300-F324 WeakPolarHBondContact CB-O 3.3Å; A300-M325 HydrophobicContact CB-CE 3.69Å; A300-I357 HydrophobicContact CB-CG2 4.19Å; A300-P358 HydrophobicContact CB-CG 4.36Å; A300-P358 WeakPolarHBondContact O-CG 3.49Å
301	S	91.6	Very high	87.2	Confident	44 Å²	44	62.7 Å²	62.7	31%	0.308	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	144.6	176.5	-163.6	0	0	0	0	110.5	V322 A323	S301-V322 CarbonylContact O-C 3.55Å; S301-V322 WeakPolarHBondContact O-CA 3.23Å; S301-A323 PolarHBondContact N-O 2.89Å; S301-A323 VanDerWaalsContact N-O 3.08Å; S301-A323 PolarHBondContact O-N 3.16Å
302	V	94	Very high	86.6	Confident	14 Å²	14	60.5 Å²	60.5	9%	0.085	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.7	167.7	179.7	0	0	0	0	106.5	E286 L289 C290 L299 V322	E286-V302 HydrophobicContact CB-CG1 4.16Å; E286-V302 HydrophobicContact CG-CG1 4.33Å; L289-V302 HydrophobicContact CB-CG1 3.65Å; L289-V302 HydrophobicContact CD1-CG1 3.96Å; L289-V302 HydrophobicContact CG-CG1 4.47Å; C290-V302 VanDerWaalsContact SG-CG2 3.58Å; L299-V302 HydrophobicContact CB-CG2 4.23Å; L299-V302 HydrophobicContact CD1-CG2 3.58Å; V302-V322 HydrophobicContact CB-CG2 4.44Å; V302-V322 HydrophobicContact CG1-CG2 4.05Å; V302-V322 HydrophobicContact CG2-CG1 4.46Å; V302-V322 HydrophobicContact CG2-CG2 4.12Å
303	K	92.4	Very high	86	Confident	113 Å²	113	64.4 Å²	64.4	49%	0.491	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	129	178.9	-176.4	171.1	-178.2	173.2	0	112.7	E286 G320 F321	E286-K303 WeakPolarHBondContact OE1-CA 3.34Å; K303-G320 CarbonylContact O-C 3.56Å; K303-G320 WeakPolarHBondContact O-CA 3.38Å; K303-F321 PolarHBondContact N-O 3.19Å; K303-F321 PolarHBondContact O-N 2.71Å
304	I	93.1	Very high	85.2	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	136.9	169.9	-64.7	177.1	0	0	0	110.6	M284 E286 L289 W306 N318	M284-I304 WeakPolarHBondContact O-CD1 3.21Å; E286-I304 HydrophobicContact CG-CB 4.3Å; E286-I304 HydrophobicContact CG-CD1 4Å; E286-I304 HydrophobicContact CG-CG1 3.82Å; E286-I304 PolarHBondContact OE1-N 3.25Å; L289-I304 HydrophobicContact CD1-CD1 3.84Å; L289-I304 HydrophobicContact CD1-CG1 3.58Å; I304-W306 HydrophobicContact CB-CZ2 4.2Å; I304-W306 HydrophobicContact CD1-CZ2 4.15Å; I304-W306 HydrophobicContact CG2-CD2 3.78Å; I304-W306 HydrophobicContact CG2-CE3 4.3Å; I304-W306 HydrophobicContact CG2-CG 4.12Å; I304-W306 HydrophobicContact CG2-CH2 4.37Å; I304-W306 HydrophobicContact CG2-CZ2 3.85Å; I304-N318 HydrophobicContact CG2-CB 4.37Å
305	M	90.4	Very high	84.7	Confident	69 Å²	69	73.9 Å²	73.9	34%	0.34	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	85	173.8	-71	-66.9	-64.1	0	0	108.8	C319 F321	M305-C319 HydrophobicContact CB-CB 4.19Å; M305-C319 PolarHBondContact N-O 2.81Å; M305-F321 HydrophobicContact CG-CD2 4.27Å; M305-F321 HydrophobicContact CG-CE2 4.27Å
306	W	86.2	Confident	84.5	Confident	126 Å²	126	72.9 Å²	72.9	48%	0.477	35%	0.346	S	S	.	.			trans	-61.7	142.6	177	-57.4	95.3	0	0	0	112	I304 N318	I304-W306 HydrophobicContact CB-CZ2 4.2Å; I304-W306 HydrophobicContact CD1-CZ2 4.15Å; I304-W306 HydrophobicContact CG2-CD2 3.78Å; I304-W306 HydrophobicContact CG2-CE3 4.3Å; I304-W306 HydrophobicContact CG2-CG 4.12Å; I304-W306 HydrophobicContact CG2-CH2 4.37Å; I304-W306 HydrophobicContact CG2-CZ2 3.85Å; W306-N318 WeakPolarHBondContact CZ3-ND2 3.49Å
307	P	81.8	Confident	84.4	Confident	34 Å²	34	77.2 Å²	77.2	22%	0.221	36%	0.361	C	S	.	.			trans	-62	133.8	-177.3	25	-35.4	0	0	0	111.6	E312 R313 N318	P307-E312 HydrophobicContact CB-CB 3.56Å; P307-R313 HydrophobicContact CB-CB 4.34Å; P307-R313 HydrophobicContact CG-CB 4.34Å; P307-N318 VanDerWaalsContact CD-OD1 3.3Å; P307-N318 WeakPolarHBondContact CD-OD1 3.45Å
308	R	81.1	Confident	84.5	Confident	208 Å²	208	77.5 Å²	77.5	79%	0.785	36%	0.362	S	S	*	.			trans	-103.4	-24.3	-174.6	-64.9	-175	174.5	-157.7	-4	113.1	E312	R308-E312 PolarHBondContact N-OE2 3.48Å
309	T	81.1	Confident	84.6	Confident	64 Å²	64	79.6 Å²	79.6	39%	0.393	38%	0.377	S	S	.	.	S	Bend	trans	-109.5	156.4	175.6	59.5	0	0	0	0	110.5	E311 E312 R313	T309-E311 PolarHBondContact O-N 3Å; T309-E312 PolarHBondContact N-OE2 2.88Å; T309-E312 PolarHBondContact O-N 3.39Å; T309-E312 WeakPolarHBondContact OG1-CB 3.37Å; T309-E312 VanDerWaalsContact OG1-CD 3.24Å; T309-E312 WeakPolarHBondContact OG1-CG 3.25Å; T309-E312 PolarHBondContact OG1-N 2.79Å; T309-E312 PolarHBondContact OG1-OE2 3.41Å; T309-R313 PolarHBondContact O-N 3Å
310	D	73.9	Confident	84.7	Confident	115 Å²	115	79.6 Å²	79.6	62%	0.615	38%	0.377	S	S	*	.	H	α-helix	trans	-69.1	-25.8	176.3	-58.9	-48.8	0	0	0	111.7	R313 A314	D310-R313 PolarHBondContact O-N 2.92Å; D310-R313 IonicContact OD1-CZ 2.65Å; D310-R313 IonicContact OD1-NH1 2.61Å; D310-R313 PolarHBondContact OD1-NH1 3.31Å; D310-R313 IonicContact OD1-NH2 2.75Å; D310-A314 VanDerWaalsContact O-CB 3.3Å; D310-A314 WeakPolarHBondContact O-CB 3.39Å; D310-A314 PolarHBondContact O-N 2.72Å
311	E	75.2	Confident	84.9	Confident	148 Å²	148	82.9 Å²	82.9	69%	0.692	39%	0.39	S	S	*	.	H	α-helix	trans	-65.6	-38.4	170.5	-66	177.3	178.8	0	0	112.9	T309 R315	T309-E311 PolarHBondContact O-N 3Å; E311-R315 WeakPolarHBondContact O-CG 3.33Å
312	E	75.3	Confident	85	Confident	67 Å²	67	80.8 Å²	80.8	31%	0.313	38%	0.376	S	S	.	.	H	α-helix	trans	-70.6	-38.8	171.8	-71	163.1	145.6	0	0	111.1	P307 R308 T309 A314 R315	P307-E312 HydrophobicContact CB-CB 3.56Å; R308-E312 PolarHBondContact N-OE2 3.48Å; T309-E312 PolarHBondContact N-OE2 2.88Å; T309-E312 PolarHBondContact O-N 3.39Å; T309-E312 WeakPolarHBondContact OG1-CB 3.37Å; T309-E312 VanDerWaalsContact OG1-CD 3.24Å; T309-E312 WeakPolarHBondContact OG1-CG 3.25Å; T309-E312 PolarHBondContact OG1-N 2.79Å; T309-E312 PolarHBondContact OG1-OE2 3.41Å; E312-A314 VanDerWaalsContact C-N 3.31Å; E312-A314 PolarHBondContact O-N 3.43Å; E312-R315 WeakPolarHBondContact O-CB 3.41Å; E312-R315 PolarHBondContact O-N 2.93Å
313	R	77.5	Confident	85	Confident	140 Å²	140	80.2 Å²	80.2	53%	0.528	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-37.4	177.2	-165.6	178.9	-60.9	126.3	14.8	111.7	P307 T309 D310 R315 E316	P307-R313 HydrophobicContact CB-CB 4.34Å; P307-R313 HydrophobicContact CG-CB 4.34Å; T309-R313 PolarHBondContact O-N 3Å; D310-R313 PolarHBondContact O-N 2.92Å; D310-R313 IonicContact OD1-CZ 2.65Å; D310-R313 IonicContact OD1-NH1 2.61Å; D310-R313 PolarHBondContact OD1-NH1 3.31Å; D310-R313 IonicContact OD1-NH2 2.75Å; R313-R315 PolarHBondContact O-N 3.43Å; R313-E316 PolarHBondContact O-N 3.47Å
314	A	74.3	Confident	85	Confident	81 Å²	81	74.8 Å²	74.8	67%	0.669	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-7.4	176.8	0	0	0	0	0	114.7	D310 E312 E316	D310-A314 VanDerWaalsContact O-CB 3.3Å; D310-A314 WeakPolarHBondContact O-CB 3.39Å; D310-A314 PolarHBondContact O-N 2.72Å; E312-A314 VanDerWaalsContact C-N 3.31Å; E312-A314 PolarHBondContact O-N 3.43Å; A314-E316 VanDerWaalsContact C-N 3.33Å
315	R	77.7	Confident	84.8	Confident	120 Å²	120	74.7 Å²	74.7	45%	0.453	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.9	172.9	-65.9	177.4	-149.5	147.8	8.3	113.7	E311 E312 R313 R317	E311-R315 WeakPolarHBondContact O-CG 3.33Å; E312-R315 WeakPolarHBondContact O-CB 3.41Å; E312-R315 PolarHBondContact O-N 2.93Å; R313-R315 PolarHBondContact O-N 3.43Å; R315-R317 HydrophobicContact CB-CG 4.11Å; R315-R317 WeakPolarHBondContact O-CG 3.3Å; R315-R317 PolarHBondContact O-N 3.01Å; R315-R317 PolarHBondContact O-NH1 2.92Å
316	E	81.9	Confident	84.7	Confident	145 Å²	145	72.8 Å²	72.8	68%	0.678	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	34	179.9	-56.8	-164.9	156.3	0	0	114.3	P282 R313 A314 F345	P282-E316 WeakPolarHBondContact CD-O 3.42Å; P282-E316 WeakPolarHBondContact CG-O 3.49Å; R313-E316 PolarHBondContact O-N 3.47Å; A314-E316 VanDerWaalsContact C-N 3.33Å; E316-F345 WeakPolarHBondContact O-CE1 3.41Å; E316-F345 WeakPolarHBondContact O-CZ 3.37Å
317	R	85.5	Confident	84.7	Confident	122 Å²	122	68.8 Å²	68.8	46%	0.46	32%	0.324	S	S	.	.			trans	-144.9	137.4	177.6	62.7	-171.1	171.9	-97.5	18.4	112.6	N279 R315 F345	N279-R317 WeakPolarHBondContact OD1-CD 3.29Å; R315-R317 HydrophobicContact CB-CG 4.11Å; R315-R317 WeakPolarHBondContact O-CG 3.3Å; R315-R317 PolarHBondContact O-N 3.01Å; R315-R317 PolarHBondContact O-NH1 2.92Å; R317-F345 HydrophobicContact CB-CE1 4.17Å
318	N	89.6	Confident	85	Confident	6 Å²	6	74.3 Å²	74.3	3%	0.032	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	162.2	177.5	-81.5	-15.1	0	0	0	111.8	N279 I280 P282 I304 W306 P307	N279-N318 PolarHBondContact N-O 3.09Å; I280-N318 HydrophobicContact CB-CB 3.93Å; I280-N318 HydrophobicContact CG2-CB 4.24Å; I280-N318 PolarHBondContact N-O 3.06Å; I280-N318 PolarHBondContact O-N 2.95Å; P282-N318 PolarHBondContact O-ND2 3.31Å; I304-N318 HydrophobicContact CG2-CB 4.37Å; W306-N318 WeakPolarHBondContact CZ3-ND2 3.49Å; P307-N318 VanDerWaalsContact CD-OD1 3.3Å; P307-N318 WeakPolarHBondContact CD-OD1 3.45Å
319	C	91.9	Very high	85.4	Confident	45 Å²	45	64.4 Å²	64.4	30%	0.304	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	167.2	168.7	-53.6	0	0	0	0	109.5	Y276 L277 M305	Y276-C319 HydrophobicContact CE2-CB 4.15Å; Y276-C319 PolarHBondContact OH-SG 2.94Å; L277-C319 CarbonylContact O-C 3.58Å; L277-C319 WeakPolarHBondContact O-CA 3.4Å; M305-C319 HydrophobicContact CB-CB 4.19Å; M305-C319 PolarHBondContact N-O 2.81Å
320	G	93.4	Very high	85.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	-177.3	178.6	0	0	0	0	0	114.3	Y276 L277 K303	Y276-G320 WeakPolarHBondContact CD2-O 3.34Å; L277-G320 PolarHBondContact N-O 2.71Å; L277-G320 PolarHBondContact O-N 3.33Å; K303-G320 CarbonylContact O-C 3.56Å; K303-G320 WeakPolarHBondContact O-CA 3.38Å
321	F	94.6	Very high	86.6	Confident	73 Å²	73	59.8 Å²	59.8	32%	0.32	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.3	171.9	-68.7	-86.4	0	0	0	110.6	L275 Y276 K303 M305	L275-F321 CarbonylContact O-C 3.58Å; L275-F321 VanDerWaalsContact O-CA 3.23Å; L275-F321 WeakPolarHBondContact O-CA 3.26Å; Y276-F321 HydrophobicContact CD2-CD1 4.26Å; Y276-F321 AromaticContact CD2-CE1 3.68Å; Y276-F321 HydrophobicContact CD2-CE1 3.68Å; Y276-F321 HydrophobicContact CD2-CE2 4.21Å; Y276-F321 AromaticContact CD2-CZ 3.65Å; Y276-F321 HydrophobicContact CD2-CZ 3.65Å; Y276-F321 HydrophobicContact CE2-CZ 4.35Å; Y276-F321 HydrophobicContact CG-CE1 4.25Å; K303-F321 PolarHBondContact N-O 3.19Å; K303-F321 PolarHBondContact O-N 2.71Å; M305-F321 HydrophobicContact CG-CD2 4.27Å; M305-F321 HydrophobicContact CG-CE2 4.27Å
322	V	95	Very high	87.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.5	171.6	170.1	0	0	0	0	109.1	N274 L275 L277 F293 L299 S301 V302 F324	N274-V322 PolarHBondContact OD1-O 2.92Å; L275-V322 PolarHBondContact N-O 2.68Å; L275-V322 PolarHBondContact O-N 2.93Å; L277-V322 HydrophobicContact CD1-CG2 3.71Å; L277-V322 HydrophobicContact CD2-CB 4.36Å; L277-V322 HydrophobicContact CD2-CG2 4.33Å; L277-V322 HydrophobicContact CG-CG2 4.32Å; F293-V322 HydrophobicContact CB-CG1 3.94Å; F293-V322 HydrophobicContact CD1-CB 4.23Å; F293-V322 HydrophobicContact CD1-CG1 3.93Å; F293-V322 HydrophobicContact CD1-CG2 4.44Å; F293-V322 HydrophobicContact CD2-CG2 4.2Å; F293-V322 HydrophobicContact CG-CB 4.36Å; F293-V322 HydrophobicContact CG-CG1 3.96Å; F293-V322 HydrophobicContact CG-CG2 4.15Å; L299-V322 HydrophobicContact CD1-CG1 4.37Å; L299-V322 HydrophobicContact CD2-CG1 3.95Å; S301-V322 CarbonylContact O-C 3.55Å; S301-V322 WeakPolarHBondContact O-CA 3.23Å; V302-V322 HydrophobicContact CB-CG2 4.44Å; V302-V322 HydrophobicContact CG1-CG2 4.05Å; V302-V322 HydrophobicContact CG2-CG1 4.46Å; V302-V322 HydrophobicContact CG2-CG2 4.12Å; V322-F324 HydrophobicContact CG1-CD2 4.19Å; V322-F324 HydrophobicContact CG1-CE2 3.77Å; V322-F324 HydrophobicContact CG1-CZ 4.41Å
323	A	93.8	Very high	88	Confident	2 Å²	2	52.1 Å²	52.1	2%	0.017	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	134.5	171.2	0	0	0	0	0	110.7	T273 N274 L299 A300 S301	T273-A323 WeakPolarHBondContact O-CA 3.37Å; N274-A323 HydrophobicContact CB-CB 4.15Å; L299-A323 CarbonylContact C-O 3.6Å; A300-A323 WeakPolarHBondContact CA-O 3.32Å; A300-A323 HydrophobicContact CB-CB 4.03Å; A300-A323 WeakPolarHBondContact CB-O 3.31Å; A300-A323 PolarHBondContact N-O 3.07Å; S301-A323 PolarHBondContact N-O 2.89Å; S301-A323 VanDerWaalsContact N-O 3.08Å; S301-A323 PolarHBondContact O-N 3.16Å
324	F	92.9	Very high	88.7	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	160.8	170.8	-73.5	-101.4	0	0	0	111.3	T273 L275 F293 F296 L299 A300 V322 N326 D329 A330 A333	T273-F324 WeakPolarHBondContact CB-O 3.35Å; T273-F324 PolarHBondContact O-N 2.91Å; T273-F324 PolarHBondContact OG1-O 3.31Å; L275-F324 HydrophobicContact CD1-CE2 4Å; F293-F324 HydrophobicContact CB-CZ 3.98Å; F293-F324 AromaticContact CD1-CE2 4Å; F293-F324 HydrophobicContact CD1-CE2 4Å; F293-F324 HydrophobicContact CD1-CZ 4.01Å; F293-F324 WeakPolarHBondContact O-CE1 3.43Å; F293-F324 WeakPolarHBondContact O-CZ 3.47Å; F296-F324 HydrophobicContact CB-CE1 4.12Å; F296-F324 HydrophobicContact CB-CZ 4.35Å; L299-F324 HydrophobicContact CD2-CD1 3.57Å; L299-F324 HydrophobicContact CD2-CD2 4.25Å; L299-F324 HydrophobicContact CD2-CE1 3.31Å; L299-F324 HydrophobicContact CD2-CE2 4.02Å; L299-F324 HydrophobicContact CD2-CG 4.04Å; L299-F324 HydrophobicContact CD2-CZ 3.55Å; A300-F324 WeakPolarHBondContact CB-O 3.3Å; V322-F324 HydrophobicContact CG1-CD2 4.19Å; V322-F324 HydrophobicContact CG1-CE2 3.77Å; V322-F324 HydrophobicContact CG1-CZ 4.41Å; F324-N326 VanDerWaalsContact C-N 3.29Å; F324-N326 WeakPolarHBondContact CB-O 3.29Å; F324-D329 HydrophobicContact CB-CB 4.38Å; F324-D329 HydrophobicContact CD1-CB 3.61Å; F324-D329 HydrophobicContact CE1-CB 4.25Å; F324-D329 HydrophobicContact CG-CB 4.23Å; F324-A330 HydrophobicContact CB-CB 4.08Å; F324-A330 HydrophobicContact CD2-CB 3.56Å; F324-A330 HydrophobicContact CE2-CB 4.27Å; F324-A330 HydrophobicContact CG-CB 3.97Å; F324-A333 HydrophobicContact CE1-CB 4.28Å; F324-A333 HydrophobicContact CE2-CB 3.69Å; F324-A333 HydrophobicContact CZ-CB 3.37Å
325	M	88.4	Confident	89.4	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	22%	0.223	C	C	.	.	S	Bend	trans	-65.8	-32.2	166.8	-73.8	-86.6	126.2	0	0	112.4	P298 A300 I357 P358 P361 Y510 L511	P298-M325 HydrophobicContact CB-CG 4.16Å; P298-M325 HydrophobicContact CG-CB 4.06Å; P298-M325 HydrophobicContact CG-CG 4.1Å; P298-M325 WeakPolarHBondContact O-CB 3.42Å; P298-M325 WeakPolarHBondContact O-CG 3.32Å; P298-M325 PolarHBondContact O-N 3.27Å; A300-M325 HydrophobicContact CB-CE 3.69Å; M325-I357 HydrophobicContact CE-CG2 3.66Å; M325-I357 HydrophobicContact SD-CG2 3.97Å; M325-P358 HydrophobicContact CE-CG 3.84Å; M325-P358 VanDerWaalsContact CE-O 3.23Å; M325-P358 WeakPolarHBondContact CE-O 3.32Å; M325-P361 HydrophobicContact CE-CB 3.97Å; M325-P361 HydrophobicContact CG-CB 3.93Å; M325-P361 HydrophobicContact SD-CB 4.22Å; M325-Y510 WeakPolarHBondContact CB-O 3.46Å; M325-L511 HydrophobicContact CB-CD2 4.25Å; M325-L511 WeakPolarHBondContact O-CD2 3.33Å; M325-L511 HydrophobicContact SD-CD2 4.43Å
326	N	87.1	Confident	89.9	Confident	30 Å²	30	49.7 Å²	49.7	16%	0.16	22%	0.222	C	C	.	.	S	Bend	trans	-129.2	146.7	-173.7	175.8	33.8	0	0	0	111.2	F324 D329 A330 G513	F324-N326 VanDerWaalsContact C-N 3.29Å; F324-N326 WeakPolarHBondContact CB-O 3.29Å; N326-D329 HydrophobicContact CB-CB 4.36Å; N326-D329 PolarHBondContact ND2-OD1 3.15Å; N326-A330 PolarHBondContact O-N 3.32Å; N326-G513 WeakPolarHBondContact ND2-CA 3.31Å
327	R	87.8	Confident	90.3	Very high	41 Å²	41	42.9 Å²	42.9	16%	0.155	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-46.2	-179.2	172.2	65.5	-169.3	-166.7	-177.3	112.3	P270 T272 T273 D329 A330 E331 W351	P270-R327 VanDerWaalsContact O-CD 3.32Å; P270-R327 WeakPolarHBondContact O-CD 3.11Å; P270-R327 WeakPolarHBondContact O-CG 3.3Å; P270-R327 PolarHBondContact O-NE 3.02Å; T272-R327 WeakPolarHBondContact O-CD 3.31Å; T272-R327 PolarHBondContact O-NH2 3.25Å; T272-R327 PolarHBondContact OG1-NH2 2.85Å; T273-R327 HydrophobicContact CG2-CB 4.25Å; R327-D329 PolarHBondContact O-N 2.71Å; R327-A330 WeakPolarHBondContact O-CB 3.49Å; R327-A330 PolarHBondContact O-N 3.46Å; R327-A330 VanDerWaalsContact O-N 3.15Å; R327-E331 HydrophobicContact CG-CG 4.48Å; R327-E331 IonicContact CZ-OE1 3.08Å; R327-E331 IonicContact NE-OE1 2.92Å; R327-E331 PolarHBondContact NE-OE1 2.85Å; R327-E331 IonicContact NE-OE2 2.65Å; R327-E331 IonicContact NH1-OE1 2.66Å; R327-E331 PolarHBondContact NH1-OE1 3.17Å; R327-E331 WeakPolarHBondContact O-CG 3.38Å; R327-E331 PolarHBondContact O-N 3.3Å; R327-W351 VanDerWaalsContact CZ-CH2 3.45Å; R327-W351 VanDerWaalsContact CZ-CZ2 3.44Å; R327-W351 VanDerWaalsContact NH1-CZ2 3.27Å
328	R	86.7	Confident	90.5	Very high	151 Å²	151	41 Å²	41	57%	0.57	19%	0.189	S	C	*	.	H	α-helix	trans	-58.8	-37.3	179.9	-62.1	-176	176.1	-169.9	-4	112.1	E331 R332	R328-E331 WeakPolarHBondContact O-CB 3.44Å; R328-E331 PolarHBondContact O-N 3Å; R328-R332 WeakPolarHBondContact O-CG 3.34Å; R328-R332 PolarHBondContact O-N 3.12Å
329	D	89.3	Confident	90.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.3	-39.4	-178.6	-56.9	4.1	0	0	0	110.7	F296 P298 F324 N326 R327 R332 A333 G513	F296-D329 WeakPolarHBondContact O-CB 3.32Å; P298-D329 VanDerWaalsContact CD-OD2 3.24Å; P298-D329 WeakPolarHBondContact CD-OD2 3.48Å; F324-D329 HydrophobicContact CB-CB 4.38Å; F324-D329 HydrophobicContact CD1-CB 3.61Å; F324-D329 HydrophobicContact CE1-CB 4.25Å; F324-D329 HydrophobicContact CG-CB 4.23Å; N326-D329 HydrophobicContact CB-CB 4.36Å; N326-D329 PolarHBondContact ND2-OD1 3.15Å; R327-D329 PolarHBondContact O-N 2.71Å; D329-R332 VanDerWaalsContact CG-NH2 3.27Å; D329-R332 PolarHBondContact O-N 3.16Å; D329-R332 IonicContact OD1-CZ 3.47Å; D329-R332 IonicContact OD1-NH1 3.64Å; D329-R332 IonicContact OD1-NH2 3.44Å; D329-R332 PolarHBondContact OD1-NH2 3.13Å; D329-A333 WeakPolarHBondContact O-CB 3.46Å; D329-A333 PolarHBondContact O-N 3.13Å; D329-G513 WeakPolarHBondContact OD1-CA 3.4Å
330	A	90.8	Very high	90.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-36.1	170.4	0	0	0	0	0	112.7	L275 F324 N326 R327 A333 L334 W351	L275-A330 HydrophobicContact CD2-CB 4.42Å; L275-A330 HydrophobicContact CG-CB 4.36Å; F324-A330 HydrophobicContact CB-CB 4.08Å; F324-A330 HydrophobicContact CD2-CB 3.56Å; F324-A330 HydrophobicContact CE2-CB 4.27Å; F324-A330 HydrophobicContact CG-CB 3.97Å; N326-A330 PolarHBondContact O-N 3.32Å; R327-A330 WeakPolarHBondContact O-CB 3.49Å; R327-A330 PolarHBondContact O-N 3.46Å; R327-A330 VanDerWaalsContact O-N 3.15Å; A330-A333 PolarHBondContact O-N 2.9Å; A330-L334 VanDerWaalsContact O-CB 3.3Å; A330-L334 WeakPolarHBondContact O-CB 3.36Å; A330-L334 PolarHBondContact O-N 2.57Å; A330-W351 HydrophobicContact CB-CH2 3.93Å; A330-W351 HydrophobicContact CB-CZ3 3.88Å
331	E	89.8	Confident	90	Very high	81 Å²	81	51.1 Å²	51.1	38%	0.379	24%	0.242	S	C	.	.	H	α-helix	trans	-67.3	-42.1	175.8	-71.2	169.3	150.1	0	0	111.7	R327 R328 L334 K335 W351	R327-E331 HydrophobicContact CG-CG 4.48Å; R327-E331 IonicContact CZ-OE1 3.08Å; R327-E331 IonicContact NE-OE1 2.92Å; R327-E331 PolarHBondContact NE-OE1 2.85Å; R327-E331 IonicContact NE-OE2 2.65Å; R327-E331 IonicContact NH1-OE1 2.66Å; R327-E331 PolarHBondContact NH1-OE1 3.17Å; R327-E331 WeakPolarHBondContact O-CG 3.38Å; R327-E331 PolarHBondContact O-N 3.3Å; R328-E331 WeakPolarHBondContact O-CB 3.44Å; R328-E331 PolarHBondContact O-N 3Å; E331-L334 PolarHBondContact O-N 3.24Å; E331-K335 PolarHBondContact O-N 3.4Å; E331-W351 HydrophobicContact CG-CH2 3.68Å; E331-W351 HydrophobicContact CG-CZ2 3.72Å
332	R	88.3	Confident	89.6	Confident	54 Å²	54	48.7 Å²	48.7	20%	0.204	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-45.9	171.8	-70	-167.8	-55.5	-111.3	-10.3	111.1	F296 R328 D329 K335 N336 E519	F296-R332 HydrophobicContact CD1-CB 4.17Å; F296-R332 PolarHBondContact O-NH2 3.18Å; R328-R332 WeakPolarHBondContact O-CG 3.34Å; R328-R332 PolarHBondContact O-N 3.12Å; D329-R332 VanDerWaalsContact CG-NH2 3.27Å; D329-R332 PolarHBondContact O-N 3.16Å; D329-R332 IonicContact OD1-CZ 3.47Å; D329-R332 IonicContact OD1-NH1 3.64Å; D329-R332 IonicContact OD1-NH2 3.44Å; D329-R332 PolarHBondContact OD1-NH2 3.13Å; R332-K335 PolarHBondContact O-N 3.49Å; R332-N336 WeakPolarHBondContact O-CB 3.08Å; R332-N336 PolarHBondContact O-N 3.16Å; R332-N336 VanDerWaalsContact O-N 3.16Å; R332-N336 PolarHBondContact O-ND2 2.94Å; R332-E519 IonicContact CZ-OE1 3.04Å; R332-E519 IonicContact NH1-OE1 3.4Å; R332-E519 PolarHBondContact NH1-OE1 3.48Å
333	A	92.3	Very high	89	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.1	-44.5	177	0	0	0	0	0	112.3	L275 F293 F296 F324 D329 A330 K335 N336 L337	L275-A333 HydrophobicContact CD1-CB 4.1Å; F293-A333 HydrophobicContact CD1-CB 4.1Å; F293-A333 HydrophobicContact CE1-CB 4.49Å; F296-A333 HydrophobicContact CB-CB 3.83Å; F296-A333 HydrophobicContact CD2-CB 3.95Å; F296-A333 HydrophobicContact CG-CB 3.86Å; F324-A333 HydrophobicContact CE1-CB 4.28Å; F324-A333 HydrophobicContact CE2-CB 3.69Å; F324-A333 HydrophobicContact CZ-CB 3.37Å; D329-A333 WeakPolarHBondContact O-CB 3.46Å; D329-A333 PolarHBondContact O-N 3.13Å; A330-A333 PolarHBondContact O-N 2.9Å; A333-K335 PolarHBondContact O-N 2.92Å; A333-N336 PolarHBondContact O-N 2.66Å; A333-L337 WeakPolarHBondContact O-CB 3.47Å; A333-L337 PolarHBondContact O-N 3.14Å
334	L	91.1	Very high	88.7	Confident	31 Å²	31	57.5 Å²	57.5	16%	0.162	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-45.8	176.9	179.3	61.1	0	0	0	111.6	L275 A330 E331 N336 N338 L349 W351	L275-L334 HydrophobicContact CD1-CB 4.42Å; L275-L334 HydrophobicContact CD2-CB 4.03Å; L275-L334 HydrophobicContact CD2-CD1 4.4Å; L275-L334 HydrophobicContact CD2-CD2 4.42Å; A330-L334 VanDerWaalsContact O-CB 3.3Å; A330-L334 WeakPolarHBondContact O-CB 3.36Å; A330-L334 PolarHBondContact O-N 2.57Å; E331-L334 PolarHBondContact O-N 3.24Å; L334-N336 VanDerWaalsContact C-N 3.33Å; L334-N336 PolarHBondContact O-N 3.5Å; L334-N338 HydrophobicContact CD1-CB 4.33Å; L334-N338 WeakPolarHBondContact O-CB 3.36Å; L334-N338 PolarHBondContact O-N 3.09Å; L334-L349 HydrophobicContact CD1-CB 3.41Å; L334-L349 VanDerWaalsContact CD1-CB 3.41Å; L334-L349 HydrophobicContact CD1-CD1 4.38Å; L334-W351 HydrophobicContact CB-CZ2 4.46Å; L334-W351 HydrophobicContact CD2-CD2 4.25Å; L334-W351 HydrophobicContact CD2-CH2 4.22Å; L334-W351 HydrophobicContact CD2-CZ2 3.36Å
335	K	88.8	Confident	88.5	Confident	180 Å²	180	60 Å²	60	78%	0.783	30%	0.296	S	S	*	.	H	α-helix	trans	-63.9	-35.5	179.6	-168.3	-173.8	176.4	-166.6	0	113	E331 R332 A333	E331-K335 PolarHBondContact O-N 3.4Å; R332-K335 PolarHBondContact O-N 3.49Å; A333-K335 PolarHBondContact O-N 2.92Å
336	N	88.3	Confident	88.6	Confident	80 Å²	80	62.9 Å²	62.9	43%	0.428	31%	0.31	S	S	.	.	H	α-helix	trans	-100.2	-14.4	-169.8	-71.9	-87.5	0	0	0	115.2	F296 R332 A333 L334	F296-N336 HydrophobicContact CD1-CB 4.42Å; F296-N336 HydrophobicContact CE1-CB 3.42Å; F296-N336 VanDerWaalsContact CE1-CB 3.42Å; F296-N336 HydrophobicContact CZ-CB 3.59Å; R332-N336 WeakPolarHBondContact O-CB 3.08Å; R332-N336 PolarHBondContact O-N 3.16Å; R332-N336 VanDerWaalsContact O-N 3.16Å; R332-N336 PolarHBondContact O-ND2 2.94Å; A333-N336 PolarHBondContact O-N 2.66Å; L334-N336 VanDerWaalsContact C-N 3.33Å; L334-N336 PolarHBondContact O-N 3.5Å
337	L	90.3	Very high	88.8	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-117	-9.7	-178.4	-63.9	-179.2	0	0	0	113.9	F293 F296 A333 K340 I342 M347 L349	F293-L337 HydrophobicContact CD1-CD1 3.74Å; F293-L337 HydrophobicContact CD2-CD1 4.01Å; F293-L337 HydrophobicContact CE1-CD1 3.62Å; F293-L337 HydrophobicContact CE2-CD1 3.9Å; F293-L337 HydrophobicContact CG-CD1 3.92Å; F293-L337 HydrophobicContact CZ-CB 4.49Å; F293-L337 HydrophobicContact CZ-CD1 3.69Å; F296-L337 HydrophobicContact CD2-CD1 4.06Å; F296-L337 HydrophobicContact CD2-CG 4.43Å; F296-L337 HydrophobicContact CE2-CD1 3.62Å; F296-L337 HydrophobicContact CE2-CD2 3.92Å; F296-L337 HydrophobicContact CE2-CG 3.63Å; F296-L337 HydrophobicContact CZ-CD2 4.2Å; F296-L337 HydrophobicContact CZ-CG 4.06Å; A333-L337 WeakPolarHBondContact O-CB 3.47Å; A333-L337 PolarHBondContact O-N 3.14Å; L337-K340 HydrophobicContact CD2-CD 4.07Å; L337-K340 PolarHBondContact O-N 3.36Å; L337-I342 HydrophobicContact CD2-CD1 4.47Å; L337-M347 HydrophobicContact CB-CE 3.83Å; L337-M347 HydrophobicContact CD1-CE 4.28Å; L337-M347 HydrophobicContact CG-CE 4.49Å; L337-L349 HydrophobicContact CB-CD1 3.67Å
338	N	90.8	Very high	88.9	Confident	82 Å²	82	64.7 Å²	64.7	44%	0.439	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	132.5	172.6	-172.6	46.5	0	0	0	110.6	L334 K340 L349	L334-N338 HydrophobicContact CD1-CB 4.33Å; L334-N338 WeakPolarHBondContact O-CB 3.36Å; L334-N338 PolarHBondContact O-N 3.09Å; N338-K340 PolarHBondContact O-N 3.48Å; N338-L349 HydrophobicContact CB-CB 3.99Å; N338-L349 HydrophobicContact CB-CD1 4.35Å; N338-L349 HydrophobicContact CB-CG 4.21Å; N338-L349 PolarHBondContact OD1-N 2.76Å
339	G	86.7	Confident	89.3	Confident	36 Å²	36	58.5 Å²	58.5	37%	0.371	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	-2.6	-174.9	0	0	0	0	0	114	E346 M347	G339-E346 WeakPolarHBondContact O-CG 3.49Å; G339-M347 PolarHBondContact N-O 2.73Å
340	K	88.6	Confident	89.4	Confident	102 Å²	102	59.6 Å²	59.6	44%	0.443	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.4	-176.1	-169.8	165.2	-171.4	162.5	0	111.4	L337 N338 I342 M347	L337-K340 HydrophobicContact CD2-CD 4.07Å; L337-K340 PolarHBondContact O-N 3.36Å; N338-K340 PolarHBondContact O-N 3.48Å; K340-I342 HydrophobicContact CG-CG1 4.37Å; K340-I342 PolarHBondContact O-N 3.33Å; K340-M347 PolarHBondContact O-N 3.19Å
341	M	88.6	Confident	89.5	Confident	126 Å²	126	61.4 Å²	61.4	62%	0.621	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	116.1	171.6	-72.4	-69.6	-92.7	0	0	110.9	F345 E346	M341-F345 WeakPolarHBondContact CA-O 3.41Å; M341-E346 HydrophobicContact SD-CB 3.74Å; M341-E346 PolarHBondContact SD-N 3.21Å; M341-E346 VanDerWaalsContact SD-N 3.36Å
342	I	85.8	Confident	89.3	Confident	22 Å²	22	57.7 Å²	57.7	11%	0.113	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.8	175.3	-59.1	-174.4	0	0	0	108.5	M284 E292 L337 K340 S344 F345 M347	M284-I342 HydrophobicContact SD-CG2 3.93Å; E292-I342 HydrophobicContact CG-CD1 4.38Å; L337-I342 HydrophobicContact CD2-CD1 4.47Å; K340-I342 HydrophobicContact CG-CG1 4.37Å; K340-I342 PolarHBondContact O-N 3.33Å; I342-S344 PolarHBondContact O-N 2.82Å; I342-F345 PolarHBondContact N-O 3.39Å; I342-F345 PolarHBondContact O-N 2.82Å; I342-M347 HydrophobicContact CD1-CE 3.6Å; I342-M347 HydrophobicContact CD1-SD 4.47Å
343	M	84	Confident	89.3	Confident	79 Å²	79	62 Å²	62	39%	0.389	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	41.5	-174.6	-57.8	176.7	66.1	0	0	112.8	N281 Q283 M284 M288 F345	N281-M343 HydrophobicContact CB-CB 4.13Å; N281-M343 WeakPolarHBondContact ND2-CB 3.48Å; N281-M343 PolarHBondContact ND2-O 2.6Å; Q283-M343 HydrophobicContact CB-CE 4.12Å; M284-M343 HydrophobicContact CG-SD 4.24Å; M284-M343 HydrophobicContact SD-SD 4.43Å; M288-M343 HydrophobicContact CE-SD 4.15Å; M343-F345 VanDerWaalsContact C-N 3.29Å; M343-F345 WeakPolarHBondContact O-CD2 3.33Å; M343-F345 PolarHBondContact O-N 3.25Å
344	S	87.2	Confident	88.9	Confident	107 Å²	107	65 Å²	65	75%	0.748	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	16.7	-175.4	-49.3	0	0	0	0	116.7	I342	I342-S344 PolarHBondContact O-N 2.82Å
345	F	88.1	Confident	88.5	Confident	53 Å²	53	66.5 Å²	66.5	23%	0.232	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.6	170.9	-77	-109.4	0	0	0	110.7	N279 N281 E316 R317 M341 I342 M343 M347	N279-F345 WeakPolarHBondContact O-CB 3.24Å; N281-F345 HydrophobicContact CB-CB 4.26Å; N281-F345 HydrophobicContact CB-CD2 3.5Å; N281-F345 VanDerWaalsContact CB-CD2 3.5Å; N281-F345 HydrophobicContact CB-CE2 3.94Å; N281-F345 HydrophobicContact CB-CG 3.9Å; N281-F345 WeakPolarHBondContact ND2-CD2 3.31Å; N281-F345 WeakPolarHBondContact ND2-CE2 3.42Å; E316-F345 WeakPolarHBondContact O-CE1 3.41Å; E316-F345 WeakPolarHBondContact O-CZ 3.37Å; R317-F345 HydrophobicContact CB-CE1 4.17Å; M341-F345 WeakPolarHBondContact CA-O 3.41Å; I342-F345 PolarHBondContact N-O 3.39Å; I342-F345 PolarHBondContact O-N 2.82Å; M343-F345 VanDerWaalsContact C-N 3.29Å; M343-F345 WeakPolarHBondContact O-CD2 3.33Å; M343-F345 PolarHBondContact O-N 3.25Å; F345-M347 PolarHBondContact O-N 3.02Å
346	E	90.4	Very high	88.2	Confident	63 Å²	63	63.9 Å²	63.9	29%	0.294	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	108.6	175.1	-174.7	-132.5	140.2	0	0	109.8	N279 G339 M341 K348	N279-E346 WeakPolarHBondContact CB-O 3.21Å; N279-E346 PolarHBondContact ND2-O 3.47Å; G339-E346 WeakPolarHBondContact O-CG 3.49Å; M341-E346 HydrophobicContact SD-CB 3.74Å; M341-E346 PolarHBondContact SD-N 3.21Å; M341-E346 VanDerWaalsContact SD-N 3.36Å; E346-K348 PolarHBondContact O-N 3.39Å; E346-K348 WeakPolarHBondContact OE1-CE 3.44Å; E346-K348 WeakPolarHBondContact OE1-CG 3.35Å; E346-K348 IonicContact OE1-NZ 3.31Å; E346-K348 PolarHBondContact OE1-NZ 3.06Å; E346-K348 WeakPolarHBondContact OE2-CE 3.28Å; E346-K348 IonicContact OE2-NZ 2.71Å; E346-K348 PolarHBondContact OE2-NZ 3.18Å
347	M	90.5	Very high	88	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.02	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.6	-173.1	-168.9	168.4	57.2	0	0	111.6	M284 F293 L337 G339 K340 I342 F345 L349	M284-M347 HydrophobicContact CE-SD 4.14Å; F293-M347 HydrophobicContact CE2-CE 3.6Å; F293-M347 HydrophobicContact CE2-SD 3.92Å; F293-M347 HydrophobicContact CZ-CE 3.51Å; F293-M347 HydrophobicContact CZ-SD 3.99Å; L337-M347 HydrophobicContact CB-CE 3.83Å; L337-M347 HydrophobicContact CD1-CE 4.28Å; L337-M347 HydrophobicContact CG-CE 4.49Å; G339-M347 PolarHBondContact N-O 2.73Å; K340-M347 PolarHBondContact O-N 3.19Å; I342-M347 HydrophobicContact CD1-CE 3.6Å; I342-M347 HydrophobicContact CD1-SD 4.47Å; F345-M347 PolarHBondContact O-N 3.02Å; M347-L349 HydrophobicContact CE-CD2 4.3Å; M347-L349 HydrophobicContact CG-CD2 3.77Å; M347-L349 HydrophobicContact CG-CG 4.48Å; M347-L349 HydrophobicContact SD-CD2 4.21Å
348	K	90.9	Very high	87.6	Confident	105 Å²	105	65.7 Å²	65.7	46%	0.457	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.1	-177.3	-63.8	-172.1	-168.3	-82.2	0	110.6	G278 E346	G278-K348 WeakPolarHBondContact CA-O 3.39Å; G278-K348 PolarHBondContact N-O 2.92Å; G278-K348 PolarHBondContact O-N 2.7Å; E346-K348 PolarHBondContact O-N 3.39Å; E346-K348 WeakPolarHBondContact OE1-CE 3.44Å; E346-K348 WeakPolarHBondContact OE1-CG 3.35Å; E346-K348 IonicContact OE1-NZ 3.31Å; E346-K348 PolarHBondContact OE1-NZ 3.06Å; E346-K348 WeakPolarHBondContact OE2-CE 3.28Å; E346-K348 IonicContact OE2-NZ 2.71Å; E346-K348 PolarHBondContact OE2-NZ 3.18Å
349	L	94.1	Very high	86.6	Confident	21 Å²	21	66.7 Å²	66.7	11%	0.11	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.1	-171.3	-58.3	-169	0	0	0	112.3	Y276 L277 F293 L334 L337 N338 M347	Y276-L349 WeakPolarHBondContact O-CA 3.45Å; L277-L349 HydrophobicContact CB-CD2 4.31Å; L277-L349 HydrophobicContact CD2-CD2 3.42Å; L277-L349 VanDerWaalsContact CD2-CD2 3.42Å; L277-L349 HydrophobicContact CG-CD2 4.42Å; F293-L349 HydrophobicContact CE1-CD1 4.01Å; F293-L349 HydrophobicContact CZ-CD1 4.05Å; F293-L349 HydrophobicContact CZ-CD2 4.07Å; L334-L349 HydrophobicContact CD1-CB 3.41Å; L334-L349 VanDerWaalsContact CD1-CB 3.41Å; L334-L349 HydrophobicContact CD1-CD1 4.38Å; L337-L349 HydrophobicContact CB-CD1 3.67Å; N338-L349 HydrophobicContact CB-CB 3.99Å; N338-L349 HydrophobicContact CB-CD1 4.35Å; N338-L349 HydrophobicContact CB-CG 4.21Å; N338-L349 PolarHBondContact OD1-N 2.76Å; M347-L349 HydrophobicContact CE-CD2 4.3Å; M347-L349 HydrophobicContact CG-CD2 3.77Å; M347-L349 HydrophobicContact CG-CG 4.48Å; M347-L349 HydrophobicContact SD-CD2 4.21Å
350	G	91.8	Very high	86.1	Confident	23 Å²	23	71.6 Å²	71.6	24%	0.237	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	174	174.9	0	0	0	0	0	112.9	L275 Y276 G352	L275-G350 CarbonylContact C-O 3.59Å; L275-G350 WeakPolarHBondContact CA-O 3.41Å; Y276-G350 PolarHBondContact N-O 3.47Å; Y276-G350 PolarHBondContact O-N 3.21Å; Y276-G350 VanDerWaalsContact O-N 3.13Å; G350-G352 PolarHBondContact O-N 2.9Å
351	W	92.4	Very high	85.9	Confident	39 Å²	39	67.5 Å²	67.5	15%	0.148	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.7	179.9	-70	113.5	0	0	0	112.1	D266 T272 L275 R327 A330 E331 L334	D266-W351 HydrophobicContact CB-CB 4.49Å; T272-W351 WeakPolarHBondContact O-CZ3 3.49Å; L275-W351 HydrophobicContact CD2-CD2 4.27Å; L275-W351 HydrophobicContact CD2-CE3 3.66Å; L275-W351 HydrophobicContact CD2-CH2 3.76Å; L275-W351 HydrophobicContact CD2-CZ2 4.38Å; L275-W351 HydrophobicContact CD2-CZ3 3.38Å; L275-W351 HydrophobicContact CG-CZ3 4.45Å; R327-W351 VanDerWaalsContact CZ-CH2 3.45Å; R327-W351 VanDerWaalsContact CZ-CZ2 3.44Å; R327-W351 VanDerWaalsContact NH1-CZ2 3.27Å; A330-W351 HydrophobicContact CB-CH2 3.93Å; A330-W351 HydrophobicContact CB-CZ3 3.88Å; E331-W351 HydrophobicContact CG-CH2 3.68Å; E331-W351 HydrophobicContact CG-CZ2 3.72Å; L334-W351 HydrophobicContact CB-CZ2 4.46Å; L334-W351 HydrophobicContact CD2-CD2 4.25Å; L334-W351 HydrophobicContact CD2-CH2 4.22Å; L334-W351 HydrophobicContact CD2-CZ2 3.36Å
352	G	87.6	Confident	85.8	Confident	2 Å²	2	67.2 Å²	67.2	2%	0.021	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-86.2	162.2	173.6	0	0	0	0	0	112.1	N274 G350	N274-G352 WeakPolarHBondContact O-CA 3.41Å; N274-G352 PolarHBondContact O-N 2.99Å; G350-G352 PolarHBondContact O-N 2.9Å
353	K	86.6	Confident	85.9	Confident	145 Å²	145	68.6 Å²	68.6	63%	0.63	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-60.5	141.3	173.5	-63.8	179.2	-178.7	177.4	0	110.4	V267 N274 V355	V267-K353 HydrophobicContact CG2-CG 4.49Å; N274-K353 WeakPolarHBondContact CB-O 3.18Å; N274-K353 PolarHBondContact ND2-O 2.85Å; K353-V355 PolarHBondContact O-N 2.91Å
354	A	83.8	Confident	85.9	Confident	62 Å²	62	66.6 Å²	66.6	51%	0.512	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-54.7	135.7	178.1	0	0	0	0	0	111.8	T272	T272-A354 HydrophobicContact CG2-CB 3.94Å
355	V	83.8	Confident	85.6	Confident	64 Å²	64	61.6 Å²	61.6	39%	0.388	33%	0.332	S	S	.	.			trans	-119.7	137.4	177.3	177.4	0	0	0	0	108.2	N274 K353 I357	N274-V355 HydrophobicContact CB-CG2 4.38Å; K353-V355 PolarHBondContact O-N 2.91Å; V355-I357 PolarHBondContact O-N 3.46Å; V355-I357 VanDerWaalsContact O-N 3.13Å
356	P	82.4	Confident	85.1	Confident	124 Å²	124	63.6 Å²	63.6	81%	0.805	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-58	117.5	175.1	-25.3	35.2	0	0	0	111.7
357	I	82.9	Confident	84	Confident	73 Å²	73	63.3 Å²	63.3	37%	0.374	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-69.9	123.5	-177.1	-54.5	178	0	0	0	109	T273 A300 M325 V355 L511	T273-I357 HydrophobicContact CG2-CD1 3.82Å; A300-I357 HydrophobicContact CB-CG2 4.19Å; M325-I357 HydrophobicContact CE-CG2 3.66Å; M325-I357 HydrophobicContact SD-CG2 3.97Å; V355-I357 PolarHBondContact O-N 3.46Å; V355-I357 VanDerWaalsContact O-N 3.13Å; I357-L511 HydrophobicContact CG2-CD2 4.47Å
358	P	82.1	Confident	83	Confident	48 Å²	48	63.8 Å²	63.8	31%	0.312	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-69.6	156.8	177.1	28.2	-31.1	0	0	0	111.2	A300 M325 H360	A300-P358 HydrophobicContact CB-CG 4.36Å; A300-P358 WeakPolarHBondContact O-CG 3.49Å; M325-P358 HydrophobicContact CE-CG 3.84Å; M325-P358 VanDerWaalsContact CE-O 3.23Å; M325-P358 WeakPolarHBondContact CE-O 3.32Å; P358-H360 WeakPolarHBondContact CG-O 3.16Å; P358-H360 PolarHBondContact O-N 3.06Å; P358-H360 VanDerWaalsContact O-N 3.17Å
359	P	70.2	Confident	82.1	Confident	102 Å²	102	62.6 Å²	62.6	66%	0.662	36%	0.355	S	S	*	.	S	Bend	trans	-69.2	-13	-177.2	28.8	-36.4	0	0	0	114.2
360	H	76.2	Confident	80.8	Confident	139 Å²	139	67 Å²	67	64%	0.644	38%	0.375	S	S	*	.	S	Bend	trans	-136.1	140.9	172.9	-60.7	-48	0	0	0	109.1	P358	P358-H360 WeakPolarHBondContact CG-O 3.16Å; P358-H360 PolarHBondContact O-N 3.06Å; P358-H360 VanDerWaalsContact O-N 3.17Å
361	P	85.2	Confident	79.4	Confident	17 Å²	17	70.5 Å²	70.5	11%	0.11	39%	0.385	C	S	.	.			trans	-66.5	154.5	172.6	29.3	-36.9	0	0	0	112.6	P298 L299 M325 I364 Y510	P298-P361 HydrophobicContact CB-CB 4.12Å; P298-P361 HydrophobicContact CB-CG 4.27Å; L299-P361 CarbonylContact O-C 3.56Å; L299-P361 VanDerWaalsContact O-CA 3.25Å; L299-P361 WeakPolarHBondContact O-CA 3.19Å; L299-P361 WeakPolarHBondContact O-CB 3.26Å; M325-P361 HydrophobicContact CE-CB 3.97Å; M325-P361 HydrophobicContact CG-CB 3.93Å; M325-P361 HydrophobicContact SD-CB 4.22Å; P361-I364 HydrophobicContact CB-CG1 4.44Å; P361-I364 HydrophobicContact CG-CD1 3.93Å; P361-I364 HydrophobicContact CG-CG1 3.63Å; P361-Y510 VanDerWaalsContact CD-CD2 3.41Å; P361-Y510 HydrophobicContact CG-CD1 4.03Å; P361-Y510 HydrophobicContact CG-CD2 3.92Å; P361-Y510 HydrophobicContact CG-CE1 4.24Å; P361-Y510 HydrophobicContact CG-CE2 4.12Å; P361-Y510 HydrophobicContact CG-CG 3.85Å
362	I	86.7	Confident	78.3	Confident	119 Å²	119	69.8 Å²	69.8	61%	0.61	39%	0.385	S	S	*	.	S	Bend	trans	-78.4	-36.7	168.6	-58.9	-173.2	0	0	0	109.7	L299	L299-I362 PolarHBondContact O-N 3.31Å
363	Y	86.9	Confident	77.7	Confident	51 Å²	51	74 Å²	74	20%	0.2	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-115.1	125.1	178.4	-171.7	-99.5	0	0	0	113.8	C290 L299 P365	C290-Y363 HydrophobicContact CB-CD2 3.59Å; C290-Y363 HydrophobicContact CB-CE2 4.06Å; C290-Y363 HydrophobicContact CB-CG 3.98Å; C290-Y363 WeakPolarHBondContact O-CE1 3.43Å; L299-Y363 HydrophobicContact CD1-CD1 4.39Å; L299-Y363 HydrophobicContact CD1-CG 4.37Å; L299-Y363 HydrophobicContact CG-CD1 4.35Å; L299-Y363 PolarHBondContact N-O 2.98Å; L299-Y363 PolarHBondContact O-N 3Å; Y363-P365 HydrophobicContact CD1-CG 4.13Å; Y363-P365 HydrophobicContact CE1-CB 4.36Å; Y363-P365 HydrophobicContact CE1-CG 4.13Å; Y363-P365 WeakPolarHBondContact O-CD 3.34Å
364	I	85.1	Confident	77.3	Confident	37 Å²	37	70 Å²	70	19%	0.19	40%	0.395	C	S	.	.			trans	-81.7	92	166.6	4.9	154.6	0	0	0	116.2	P361 P366 M368 M369 Y510	P361-I364 HydrophobicContact CB-CG1 4.44Å; P361-I364 HydrophobicContact CG-CD1 3.93Å; P361-I364 HydrophobicContact CG-CG1 3.63Å; I364-P366 WeakPolarHBondContact O-CD 3.33Å; I364-M368 HydrophobicContact CG2-CB 4.06Å; I364-M369 HydrophobicContact CB-CE 4.15Å; I364-Y510 HydrophobicContact CD1-CE1 3.67Å; I364-Y510 WeakPolarHBondContact CD1-OH 3.39Å; I364-Y510 HydrophobicContact CG1-CE1 4.29Å; I364-Y510 HydrophobicContact CG2-CD1 4.42Å; I364-Y510 HydrophobicContact CG2-CE1 3.97Å
365	P	80.3	Confident	77.1	Confident	2 Å²	2	68 Å²	68	1%	0.013	38%	0.377	C	S	.	.			trans	-56.4	127.8	169.8	-24.9	36.4	0	0	0	109.6	G294 G297 P298 Y363 S367 M368 M369	G294-P365 VanDerWaalsContact O-CB 3.31Å; G294-P365 WeakPolarHBondContact O-CB 3.44Å; G294-P365 WeakPolarHBondContact O-CG 3.1Å; G297-P365 WeakPolarHBondContact O-CG 3.31Å; P298-P365 HydrophobicContact CB-CG 4.36Å; Y363-P365 HydrophobicContact CD1-CG 4.13Å; Y363-P365 HydrophobicContact CE1-CB 4.36Å; Y363-P365 HydrophobicContact CE1-CG 4.13Å; Y363-P365 WeakPolarHBondContact O-CD 3.34Å; P365-S367 PolarHBondContact O-N 3.37Å; P365-S367 VanDerWaalsContact O-N 3.16Å; P365-M368 HydrophobicContact CB-CB 4.35Å; P365-M368 HydrophobicContact CB-CG 4.19Å; P365-M368 HydrophobicContact CG-CG 4.47Å; P365-M368 HydrophobicContact CG-SD 4.27Å; P365-M368 WeakPolarHBondContact O-CA 3.4Å; P365-M368 PolarHBondContact O-N 3Å; P365-M369 PolarHBondContact O-N 3.34Å
366	P	77.6	Confident	77	Confident	95 Å²	95	69 Å²	69	62%	0.617	38%	0.384	S	S	*	.	H	α-helix	trans	-55.7	-37.7	-171.8	-30.6	36.6	0	0	0	113.8	I364 M369 E370	I364-P366 WeakPolarHBondContact O-CD 3.33Å; P366-M369 WeakPolarHBondContact O-CB 3.46Å; P366-M369 PolarHBondContact O-N 2.94Å; P366-E370 PolarHBondContact O-N 2.9Å
367	S	66.3	Low	77	Confident	58 Å²	58	68.2 Å²	68.2	41%	0.406	38%	0.38	S	S	.	.	H	α-helix	trans	-57.8	-45.8	172.5	47.9	0	0	0	0	112.8	P365 M369 H371	P365-S367 PolarHBondContact O-N 3.37Å; P365-S367 VanDerWaalsContact O-N 3.16Å; S367-M369 VanDerWaalsContact C-N 3.35Å; S367-H371 PolarHBondContact O-CD2 3.07Å
368	M	69.6	Low	76.9	Confident	14 Å²	14	65.7 Å²	65.7	7%	0.069	37%	0.369	C	S	.	.	H	α-helix	trans	-71.9	-27.9	175.7	-61.9	-167.4	86.1	0	0	112.9	P298 I364 P365 E370 H371 M514	P298-M368 HydrophobicContact CB-SD 4.32Å; P298-M368 VanDerWaalsContact CD-SD 3.6Å; P298-M368 HydrophobicContact CG-CE 4.22Å; P298-M368 HydrophobicContact CG-SD 3.76Å; I364-M368 HydrophobicContact CG2-CB 4.06Å; P365-M368 HydrophobicContact CB-CB 4.35Å; P365-M368 HydrophobicContact CB-CG 4.19Å; P365-M368 HydrophobicContact CG-CG 4.47Å; P365-M368 HydrophobicContact CG-SD 4.27Å; P365-M368 WeakPolarHBondContact O-CA 3.4Å; P365-M368 PolarHBondContact O-N 3Å; M368-E370 VanDerWaalsContact C-N 3.31Å; M368-E370 PolarHBondContact O-N 2.74Å; M368-H371 WeakPolarHBondContact O-CB 3.38Å; M368-H371 PolarHBondContact O-N 2.84Å; M368-M514 HydrophobicContact CE-SD 4.26Å; M368-M514 HydrophobicContact CG-CE 3.59Å; M368-M514 HydrophobicContact CG-SD 3.6Å; M368-M514 VanDerWaalsContact CG-SD 3.6Å; M368-M514 HydrophobicContact SD-CE 3.87Å; M368-M514 HydrophobicContact SD-SD 3.83Å
369	M	72.1	Confident	76.7	Confident	80 Å²	80	66.5 Å²	66.5	39%	0.394	39%	0.386	S	S	.	.	H	α-helix	trans	-63.4	-35.1	-180	-176.4	168.5	-81.6	0	0	111.9	I364 P365 P366 S367 H371 T372 L373	I364-M369 HydrophobicContact CB-CE 4.15Å; P365-M369 PolarHBondContact O-N 3.34Å; P366-M369 WeakPolarHBondContact O-CB 3.46Å; P366-M369 PolarHBondContact O-N 2.94Å; S367-M369 VanDerWaalsContact C-N 3.35Å; M369-H371 PolarHBondContact O-N 3.08Å; M369-T372 CarbonylContact O-C 3.57Å; M369-T372 WeakPolarHBondContact O-CA 3.49Å; M369-T372 PolarHBondContact O-N 3.17Å; M369-T372 PolarHBondContact O-OG1 3.47Å; M369-L373 HydrophobicContact CG-CD1 4.31Å; M369-L373 HydrophobicContact CG-CG 4.29Å; M369-L373 PolarHBondContact O-N 3.3Å; M369-L373 VanDerWaalsContact O-N 3.15Å
370	E	67	Low	77.3	Confident	112 Å²	112	62.3 Å²	62.3	52%	0.523	36%	0.358	S	S	.	.	H	α-helix	trans	-58.5	-33.2	177.2	-173.9	171.6	175.6	0	0	113	P366 M368 T372 L373 K417	P366-E370 PolarHBondContact O-N 2.9Å; M368-E370 VanDerWaalsContact C-N 3.31Å; M368-E370 PolarHBondContact O-N 2.74Å; E370-T372 PolarHBondContact O-N 3.27Å; E370-L373 PolarHBondContact O-N 3.37Å; E370-L373 VanDerWaalsContact O-N 3.15Å; E370-K417 PolarHBondContact O-NZ 3.15Å
371	H	63.5	Low	77.7	Confident	97 Å²	97	57.7 Å²	57.7	45%	0.449	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-30	175.6	-64.8	-95.3	0	0	0	111.7	S367 M368 M369 K417 Q518	S367-H371 PolarHBondContact O-CD2 3.07Å; M368-H371 WeakPolarHBondContact O-CB 3.38Å; M368-H371 PolarHBondContact O-N 2.84Å; M369-H371 PolarHBondContact O-N 3.08Å; H371-K417 WeakPolarHBondContact O-CE 3.35Å; H371-K417 PolarHBondContact O-NZ 2.89Å; H371-Q518 PolarHBondContact CE1-NE2 2.81Å; H371-Q518 VanDerWaalsContact CE1-NE2 3.27Å; H371-Q518 PolarHBondContact NE2-NE2 2.74Å
372	T	68.2	Low	77.7	Confident	25 Å²	25	59.1 Å²	59.1	15%	0.153	34%	0.344	C	S	.	.	H	α-helix	trans	-90.6	-7.9	178.7	73.4	0	0	0	0	114.1	M369 E370 V419 P509 Y510	M369-T372 CarbonylContact O-C 3.57Å; M369-T372 WeakPolarHBondContact O-CA 3.49Å; M369-T372 PolarHBondContact O-N 3.17Å; M369-T372 PolarHBondContact O-OG1 3.47Å; E370-T372 PolarHBondContact O-N 3.27Å; T372-V419 WeakPolarHBondContact O-CG1 3.41Å; T372-P509 HydrophobicContact CG2-CB 4.32Å; T372-Y510 HydrophobicContact CG2-CE1 4.09Å
373	L	75.9	Confident	77.7	Confident	90 Å²	90	54.4 Å²	54.4	47%	0.471	32%	0.32	S	S	.	.	S	Bend	trans	-89.7	146.2	175.2	-68.6	175.2	0	0	0	112	M369 E370 K417	M369-L373 HydrophobicContact CG-CD1 4.31Å; M369-L373 HydrophobicContact CG-CG 4.29Å; M369-L373 PolarHBondContact O-N 3.3Å; M369-L373 VanDerWaalsContact O-N 3.15Å; E370-L373 PolarHBondContact O-N 3.37Å; E370-L373 VanDerWaalsContact O-N 3.15Å; L373-K417 PolarHBondContact O-NZ 3.22Å
374	P	77.6	Confident	77.7	Confident	61 Å²	61	52 Å²	52	40%	0.396	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-67.2	145.4	172.3	30.8	-35.6	0	0	0	110.8	P467	P374-P467 HydrophobicContact CB-CB 4.13Å; P374-P467 HydrophobicContact CB-CG 3.47Å; P374-P467 VanDerWaalsContact CB-CG 3.47Å; P374-P467 HydrophobicContact CG-CG 3.88Å
375	P	80	Confident	77.7	Confident	20 Å²	20	50.4 Å²	50.4	13%	0.13	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-71.5	155.6	-179.6	31.5	-34	0	0	0	111.1	N383 Q385 K417	P375-N383 PolarHBondContact O-ND2 2.54Å; P375-Q385 HydrophobicContact CB-CG 3.71Å; P375-Q385 HydrophobicContact CG-CG 3.8Å; P375-K417 HydrophobicContact CG-CB 4.26Å
376	P	81.6	Confident	77.9	Confident	84 Å²	84	51.4 Å²	51.4	55%	0.545	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-53.4	148.3	177.6	-27.4	35.5	0	0	0	113.1	S378 N383 Q385	P376-S378 PolarHBondContact O-N 3.4Å; P376-S378 VanDerWaalsContact O-N 3.13Å; P376-N383 PolarHBondContact O-OD1 3.42Å; P376-Q385 PolarHBondContact O-NE2 3.31Å
377	P	81.9	Confident	77.7	Confident	109 Å²	109	54.7 Å²	54.7	71%	0.708	31%	0.31	S	S	*	.			trans	-62.4	115.1	-176	24.7	-33.8	0	0	0	111.9	N383	P377-N383 VanDerWaalsContact CA-OD1 3.32Å; P377-N383 WeakPolarHBondContact CA-OD1 3.29Å
378	S	80.1	Confident	77.8	Confident	20 Å²	20	57.9 Å²	57.9	14%	0.14	32%	0.318	C	S	.	.			trans	-87	-16.5	-179.9	66.8	0	0	0	0	114.6	P376 L380 N383 A384	P376-S378 PolarHBondContact O-N 3.4Å; P376-S378 VanDerWaalsContact O-N 3.13Å; S378-L380 PolarHBondContact O-N 2.86Å; S378-L380 PolarHBondContact OG-N 3Å; S378-L380 VanDerWaalsContact OG-N 3.16Å; S378-N383 PolarHBondContact N-OD1 3.34Å; S378-N383 PolarHBondContact OG-OD1 3.25Å; S378-A384 VanDerWaalsContact CB-O 3.29Å; S378-A384 WeakPolarHBondContact CB-O 3.37Å; S378-A384 PolarHBondContact OG-O 3.14Å
379	G	78.4	Confident	77.7	Confident	65 Å²	65	59.8 Å²	59.8	67%	0.67	32%	0.324	S	S	*	.	S	Bend	trans	78.5	-10.6	-169.1	0	0	0	0	0	114.9
380	L	83.8	Confident	77.4	Confident	14 Å²	14	58.5 Å²	58.5	7%	0.073	32%	0.319	C	S	.	.	S	Bend	trans	-77.9	153.4	173.2	-63.9	178.7	0	0	0	111	S378 N383 A384 F407 T410 A414 Q465	S378-L380 PolarHBondContact O-N 2.86Å; S378-L380 PolarHBondContact OG-N 3Å; S378-L380 VanDerWaalsContact OG-N 3.16Å; L380-N383 WeakPolarHBondContact O-CA 3.48Å; L380-N383 PolarHBondContact O-N 2.87Å; L380-N383 VanDerWaalsContact O-N 3.13Å; L380-A384 HydrophobicContact CB-CB 4.17Å; L380-A384 WeakPolarHBondContact CB-O 3.11Å; L380-A384 WeakPolarHBondContact CD1-O 3.3Å; L380-F407 HydrophobicContact CD2-CE2 3.89Å; L380-F407 HydrophobicContact CD2-CZ 4.44Å; L380-T410 HydrophobicContact CD1-CG2 4.34Å; L380-A414 HydrophobicContact CD1-CB 4.03Å; L380-Q465 PolarHBondContact O-NE2 3.47Å; L380-Q465 PolarHBondContact O-OE1 3.3Å
381	P	84.3	Confident	77.2	Confident	42 Å²	42	61.6 Å²	61.6	27%	0.273	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-61.7	145.4	-179	26.1	-36.1	0	0	0	112.3	N383 A384 L411	P381-N383 PolarHBondContact O-N 2.73Å; P381-A384 WeakPolarHBondContact O-CB 3.3Å; P381-A384 PolarHBondContact O-N 3.1Å; P381-L411 HydrophobicContact CG-CD1 3.62Å
382	F	85.6	Confident	77.3	Confident	46 Å²	46	61 Å²	61	20%	0.202	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	56.1	25.8	-171.4	-53.7	-70.5	0	0	0	113.4	A384 V416 H469 V470 R473 F496 W502	F382-A384 PolarHBondContact O-N 3.32Å; F382-V416 HydrophobicContact CB-CG1 4.16Å; F382-V416 HydrophobicContact CB-CG2 3.84Å; F382-H469 AromaticContact CE1-CD2 3.88Å; F382-H469 AromaticContact CE1-NE2 3.97Å; F382-V470 HydrophobicContact CB-CG2 4.05Å; F382-V470 HydrophobicContact CD1-CG2 4.41Å; F382-R473 HydrophobicContact CE1-CG 4.44Å; F382-F496 HydrophobicContact CE2-CE2 4.39Å; F382-W502 HydrophobicContact CB-CH2 4.18Å; F382-W502 HydrophobicContact CB-CZ2 4.12Å; F382-W502 AromaticContact CD1-CH2 3.93Å; F382-W502 HydrophobicContact CD1-CH2 3.93Å; F382-W502 HydrophobicContact CD1-CZ2 4.15Å; F382-W502 HydrophobicContact CD2-CH2 4.37Å; F382-W502 AromaticContact CD2-CZ2 3.76Å; F382-W502 HydrophobicContact CD2-CZ2 3.76Å; F382-W502 HydrophobicContact CE1-CH2 4.42Å; F382-W502 HydrophobicContact CE2-CZ2 4.19Å; F382-W502 AromaticContact CG-CH2 3.89Å; F382-W502 HydrophobicContact CG-CH2 3.89Å; F382-W502 AromaticContact CG-CZ2 3.73Å; F382-W502 HydrophobicContact CG-CZ2 3.73Å
383	N	85.8	Confident	77	Confident	20 Å²	20	63.4 Å²	63.4	11%	0.107	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	51	36.8	-174.1	-165.3	24.8	0	0	0	113.9	P375 P376 P377 S378 L380 P381 Q385	P375-N383 PolarHBondContact O-ND2 2.54Å; P376-N383 PolarHBondContact O-OD1 3.42Å; P377-N383 VanDerWaalsContact CA-OD1 3.32Å; P377-N383 WeakPolarHBondContact CA-OD1 3.29Å; S378-N383 PolarHBondContact N-OD1 3.34Å; S378-N383 PolarHBondContact OG-OD1 3.25Å; L380-N383 WeakPolarHBondContact O-CA 3.48Å; L380-N383 PolarHBondContact O-N 2.87Å; L380-N383 VanDerWaalsContact O-N 3.13Å; P381-N383 PolarHBondContact O-N 2.73Å; N383-Q385 PolarHBondContact O-N 3.43Å; N383-Q385 PolarHBondContact O-NE2 2.9Å; N383-Q385 PolarHBondContact OD1-NE2 3.3Å; N383-Q385 VanDerWaalsContact OD1-NE2 3.07Å
384	A	87.6	Confident	76.3	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-60.4	134	179.6	0	0	0	0	0	111.3	S378 L380 P381 F382 A414 V416	S378-A384 VanDerWaalsContact CB-O 3.29Å; S378-A384 WeakPolarHBondContact CB-O 3.37Å; S378-A384 PolarHBondContact OG-O 3.14Å; L380-A384 HydrophobicContact CB-CB 4.17Å; L380-A384 WeakPolarHBondContact CB-O 3.11Å; L380-A384 WeakPolarHBondContact CD1-O 3.3Å; P381-A384 WeakPolarHBondContact O-CB 3.3Å; P381-A384 PolarHBondContact O-N 3.1Å; F382-A384 PolarHBondContact O-N 3.32Å; A384-A414 HydrophobicContact CB-CB 3.82Å; A384-V416 HydrophobicContact CB-CG2 3.65Å
385	Q	85.5	Confident	75.8	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.019	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-100.3	140.1	-178.2	-60	-59.1	-44.5	0	0	111.2	P375 P376 N383 L390 A414 I415	P375-Q385 HydrophobicContact CB-CG 3.71Å; P375-Q385 HydrophobicContact CG-CG 3.8Å; P376-Q385 PolarHBondContact O-NE2 3.31Å; N383-Q385 PolarHBondContact O-N 3.43Å; N383-Q385 PolarHBondContact O-NE2 2.9Å; N383-Q385 PolarHBondContact OD1-NE2 3.3Å; N383-Q385 VanDerWaalsContact OD1-NE2 3.07Å; Q385-L390 HydrophobicContact CB-CD1 4.27Å; Q385-L390 HydrophobicContact CB-CD2 3.88Å; Q385-L390 HydrophobicContact CB-CG 3.8Å; Q385-L390 HydrophobicContact CG-CD2 3.96Å; Q385-L390 HydrophobicContact CG-CG 4.44Å; Q385-A414 CarbonylContact O-C 3.46Å; Q385-A414 VanDerWaalsContact O-CA 3.25Å; Q385-A414 WeakPolarHBondContact O-CA 3.43Å; Q385-A414 WeakPolarHBondContact O-CB 3.49Å; Q385-I415 PolarHBondContact N-O 2.88Å; Q385-I415 PolarHBondContact O-N 3.34Å
386	P	84.2	Confident	74.9	Confident	23 Å²	23	68.9 Å²	68.9	15%	0.149	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-55.3	144.8	164.4	-23.5	34.4	0	0	0	111.1	E388 R389 L398	P386-E388 VanDerWaalsContact C-N 3.29Å; P386-E388 PolarHBondContact O-N 2.88Å; P386-R389 PolarHBondContact O-N 3.05Å; P386-L398 HydrophobicContact CB-CD1 4.36Å
387	R	73.4	Confident	73.9	Confident	165 Å²	165	70.2 Å²	70.2	62%	0.623	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-29.4	-171.5	-171.2	170.2	-177.8	166.7	1.1	113.1	I415	R387-I415 HydrophobicContact CB-CD1 4.27Å; R387-I415 HydrophobicContact CG-CD1 3.91Å
388	E	68.7	Low	73	Confident	125 Å²	125	70.1 Å²	70.1	58%	0.584	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-39.2	172.2	-60.6	87.9	-161.1	0	0	112.2	P386 L390 K391 N392	P386-E388 VanDerWaalsContact C-N 3.29Å; P386-E388 PolarHBondContact O-N 2.88Å; E388-L390 VanDerWaalsContact C-N 3.27Å; E388-L390 PolarHBondContact O-N 3.39Å; E388-K391 PolarHBondContact O-N 3.29Å; E388-N392 PolarHBondContact O-N 3.07Å
389	R	67.3	Low	72.1	Confident	54 Å²	54	73.9 Å²	73.9	20%	0.204	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.3	-177.2	-105.5	-170.2	171.7	-145.8	-13.7	114.7	P386 K391 A395	P386-R389 PolarHBondContact O-N 3.05Å; R389-K391 VanDerWaalsContact C-N 3.3Å; R389-A395 HydrophobicContact CG-CB 3.95Å; R389-A395 VanDerWaalsContact CZ-O 3.29Å; R389-A395 PolarHBondContact NE-O 3.37Å; R389-A395 PolarHBondContact NH2-O 2.9Å
390	L	64.3	Low	71.3	Confident	53 Å²	53	76.2 Å²	76.2	28%	0.277	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.5	170	-68.2	-177.9	0	0	0	113.7	Q385 E388 I415	Q385-L390 HydrophobicContact CB-CD1 4.27Å; Q385-L390 HydrophobicContact CB-CD2 3.88Å; Q385-L390 HydrophobicContact CB-CG 3.8Å; Q385-L390 HydrophobicContact CG-CD2 3.96Å; Q385-L390 HydrophobicContact CG-CG 4.44Å; E388-L390 VanDerWaalsContact C-N 3.27Å; E388-L390 PolarHBondContact O-N 3.39Å; L390-I415 HydrophobicContact CD1-CB 3.59Å; L390-I415 HydrophobicContact CD1-CD1 3.97Å; L390-I415 HydrophobicContact CD1-CG1 4.39Å; L390-I415 HydrophobicContact CD1-CG2 3.59Å
391	K	63.6	Low	70.4	Confident	176 Å²	176	77.6 Å²	77.6	77%	0.765	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-25.8	169.4	-77.8	-170.9	163	-107.6	0	113	E388 R389	E388-K391 PolarHBondContact O-N 3.29Å; R389-K391 VanDerWaalsContact C-N 3.3Å
392	N	64.6	Low	69.8	Low	84 Å²	84	85 Å²	85	45%	0.449	44%	0.439	S	S	.	.			trans	-142.2	103.6	177.5	-172.5	-27.1	0	0	0	109.6	E388 N394 A395	E388-N392 PolarHBondContact O-N 3.07Å; N392-N394 PolarHBondContact O-N 2.92Å; N392-N394 WeakPolarHBondContact OD1-CB 3.49Å; N392-N394 PolarHBondContact OD1-N 3.45Å; N392-A395 HydrophobicContact CB-CB 4.37Å; N392-A395 VanDerWaalsContact O-CB 3.24Å; N392-A395 WeakPolarHBondContact O-CB 3.36Å; N392-A395 PolarHBondContact O-N 3.38Å; N392-A395 PolarHBondContact OD1-N 3.35Å
393	P	62.3	Low	69.5	Low	77 Å²	77	87.3 Å²	87.3	50%	0.5	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.8	179.4	-26.8	35.7	0	0	0	113.7	A395	P393-A395 VanDerWaalsContact C-N 3.27Å; P393-A395 PolarHBondContact O-N 2.85Å
394	N	62.3	Low	69.3	Low	151 Å²	151	93.8 Å²	93.8	81%	0.807	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.9	179.7	-68.4	-26.3	0	0	0	113.6	N392	N392-N394 PolarHBondContact O-N 2.92Å; N392-N394 WeakPolarHBondContact OD1-CB 3.49Å; N392-N394 PolarHBondContact OD1-N 3.45Å
395	A	67.4	Low	69	Low	18 Å²	18	101.5 Å²	101.5	15%	0.149	52%	0.517	C	S	.	.	S	Bend	trans	-59	138.7	175.7	0	0	0	0	0	111.1	R389 N392 P393	R389-A395 HydrophobicContact CG-CB 3.95Å; R389-A395 VanDerWaalsContact CZ-O 3.29Å; R389-A395 PolarHBondContact NE-O 3.37Å; R389-A395 PolarHBondContact NH2-O 2.9Å; N392-A395 HydrophobicContact CB-CB 4.37Å; N392-A395 VanDerWaalsContact O-CB 3.24Å; N392-A395 WeakPolarHBondContact O-CB 3.36Å; N392-A395 PolarHBondContact O-N 3.38Å; N392-A395 PolarHBondContact OD1-N 3.35Å; P393-A395 VanDerWaalsContact C-N 3.27Å; P393-A395 PolarHBondContact O-N 2.85Å
396	P	61.1	Low	68.7	Low	116 Å²	116	104.5 Å²	104.5	75%	0.753	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-53.8	149.3	179.6	-27.8	35.1	0	0	0	113.2	L398	P396-L398 PolarHBondContact O-N 2.65Å
397	M	59.7	Low	68.6	Low	113 Å²	113	107 Å²	107	56%	0.557	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-66.7	116.9	164.9	-76.5	-168.7	72.3	0	0	108.8
398	L	62.7	Low	69.1	Low	106 Å²	106	103.4 Å²	103.4	56%	0.555	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-57	133.1	164.3	-67.6	173.6	0	0	0	108.4	P386 P396	P386-L398 HydrophobicContact CB-CD1 4.36Å; P396-L398 PolarHBondContact O-N 2.65Å
399	P	61.8	Low	69.8	Low	99 Å²	99	103.3 Å²	103.3	64%	0.643	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-63.3	151.5	-178.9	26.6	-34.7	0	0	0	110.6
400	P	61.8	Low	70.6	Confident	114 Å²	114	102.7 Å²	102.7	74%	0.74	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-50.6	127.5	177.7	-28.6	35.7	0	0	0	111.6	K402	P400-K402 PolarHBondContact O-N 2.75Å; P400-K402 VanDerWaalsContact O-N 3.14Å
401	P	64.6	Low	71.6	Confident	43 Å²	43	101.6 Å²	101.6	28%	0.279	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-57.8	119.4	-178.4	-27.5	35.5	0	0	0	111.6	N403 D406 F407	P401-N403 VanDerWaalsContact C-N 3.31Å; P401-N403 PolarHBondContact O-N 2.61Å; P401-D406 HydrophobicContact CB-CB 4.1Å; P401-F407 HydrophobicContact CB-CB 3.97Å; P401-F407 HydrophobicContact CB-CD2 4.43Å; P401-F407 HydrophobicContact CG-CB 4.46Å; P401-F407 HydrophobicContact CG-CD2 4.25Å
402	K	71.2	Confident	72.7	Confident	198 Å²	198	94.5 Å²	94.5	86%	0.861	50%	0.499	S	S	*	.	S	Bend	trans	-73.3	-24	-176	-64.5	-177.3	179.9	179	0	113.1	P400	P400-K402 PolarHBondContact O-N 2.75Å; P400-K402 VanDerWaalsContact O-N 3.14Å
403	N	80.4	Confident	73.8	Confident	95 Å²	95	95.9 Å²	95.9	51%	0.508	50%	0.503	S	S	.	.	S	Bend	trans	-111.8	147.3	-178.8	-51.6	-47	0	0	0	110.6	P401 E405 D406 F407	P401-N403 VanDerWaalsContact C-N 3.31Å; P401-N403 PolarHBondContact O-N 2.61Å; N403-E405 VanDerWaalsContact C-N 3.34Å; N403-E405 PolarHBondContact O-N 2.7Å; N403-D406 HydrophobicContact CB-CB 4.3Å; N403-D406 WeakPolarHBondContact CB-OD2 3.35Å; N403-D406 PolarHBondContact ND2-OD2 3.4Å; N403-D406 PolarHBondContact O-N 3.01Å; N403-F407 PolarHBondContact O-N 2.9Å
404	K	81.3	Confident	75	Confident	155 Å²	155	92.3 Å²	92.3	67%	0.674	48%	0.479	S	S	*	.	H	α-helix	trans	-61.7	-39.7	177.7	-178.2	176.8	169.1	-177.9	0	112.8	F407 E408	K404-F407 WeakPolarHBondContact O-CB 3.36Å; K404-F407 PolarHBondContact O-N 3.23Å; K404-E408 WeakPolarHBondContact CE-OE1 3.16Å; K404-E408 IonicContact NZ-OE1 3.8Å; K404-E408 PolarHBondContact O-N 3.25Å
405	E	80.6	Confident	76.3	Confident	163 Å²	163	85.3 Å²	85.3	76%	0.762	44%	0.442	S	S	*	.	H	α-helix	trans	-66.3	-40.5	178.8	-61.3	-175.1	175.8	0	0	111.7	N403 F407 E408 K409	N403-E405 VanDerWaalsContact C-N 3.34Å; N403-E405 PolarHBondContact O-N 2.7Å; E405-F407 VanDerWaalsContact C-N 3.34Å; E405-E408 PolarHBondContact O-N 3.25Å; E405-K409 WeakPolarHBondContact O-CB 3.48Å; E405-K409 PolarHBondContact O-N 3.2Å
406	D	79.3	Confident	77.4	Confident	66 Å²	66	84.5 Å²	84.5	35%	0.353	44%	0.435	S	S	.	.	H	α-helix	trans	-66.6	-35.2	173.8	-68	-48.8	0	0	0	112	P401 N403 T410	P401-D406 HydrophobicContact CB-CB 4.1Å; N403-D406 HydrophobicContact CB-CB 4.3Å; N403-D406 WeakPolarHBondContact CB-OD2 3.35Å; N403-D406 PolarHBondContact ND2-OD2 3.4Å; N403-D406 PolarHBondContact O-N 3.01Å; D406-T410 VanDerWaalsContact O-CB 3.26Å; D406-T410 WeakPolarHBondContact O-CB 3.36Å; D406-T410 PolarHBondContact O-N 3.08Å; D406-T410 PolarHBondContact O-OG1 2.86Å
407	F	82	Confident	78.8	Confident	77 Å²	77	81.1 Å²	81.1	34%	0.338	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-49.8	173.4	-175.9	-93.4	0	0	0	111.6	L380 P401 N403 K404 E405 K409 T410 L411	L380-F407 HydrophobicContact CD2-CE2 3.89Å; L380-F407 HydrophobicContact CD2-CZ 4.44Å; P401-F407 HydrophobicContact CB-CB 3.97Å; P401-F407 HydrophobicContact CB-CD2 4.43Å; P401-F407 HydrophobicContact CG-CB 4.46Å; P401-F407 HydrophobicContact CG-CD2 4.25Å; N403-F407 PolarHBondContact O-N 2.9Å; K404-F407 WeakPolarHBondContact O-CB 3.36Å; K404-F407 PolarHBondContact O-N 3.23Å; E405-F407 VanDerWaalsContact C-N 3.34Å; F407-K409 VanDerWaalsContact C-N 3.34Å; F407-K409 PolarHBondContact O-N 2.89Å; F407-T410 PolarHBondContact O-N 3.19Å; F407-L411 HydrophobicContact CE1-CD2 4.25Å; F407-L411 WeakPolarHBondContact O-CB 3.45Å; F407-L411 PolarHBondContact O-N 3.32Å
408	E	83.5	Confident	80.3	Confident	88 Å²	88	76 Å²	76	41%	0.411	38%	0.383	S	S	.	.	H	α-helix	trans	-63.5	-39.7	177.7	-71.9	-178.9	-159.1	0	0	111.7	K404 E405 S412	K404-E408 WeakPolarHBondContact CE-OE1 3.16Å; K404-E408 IonicContact NZ-OE1 3.8Å; K404-E408 PolarHBondContact O-N 3.25Å; E405-E408 PolarHBondContact O-N 3.25Å; E408-S412 VanDerWaalsContact O-CB 3.26Å; E408-S412 WeakPolarHBondContact O-CB 3.44Å; E408-S412 PolarHBondContact O-N 2.85Å
409	K	84.2	Confident	81.5	Confident	124 Å²	124	71.5 Å²	71.5	54%	0.539	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-50.6	174.4	-176.4	-179.8	176.5	-173	0	111.8	E405 F407 S412 Q413	E405-K409 WeakPolarHBondContact O-CB 3.48Å; E405-K409 PolarHBondContact O-N 3.2Å; F407-K409 VanDerWaalsContact C-N 3.34Å; F407-K409 PolarHBondContact O-N 2.89Å; K409-S412 PolarHBondContact O-N 3.17Å; K409-S412 PolarHBondContact O-OG 3.41Å; K409-Q413 WeakPolarHBondContact O-CG 3.3Å; K409-Q413 PolarHBondContact O-N 3Å
410	T	83.9	Confident	82.7	Confident	41 Å²	41	69.2 Å²	69.2	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-60	-47.6	177	-57.9	0	0	0	0	110.9	L380 D406 F407 S412 Q413 A414	L380-T410 HydrophobicContact CD1-CG2 4.34Å; D406-T410 VanDerWaalsContact O-CB 3.26Å; D406-T410 WeakPolarHBondContact O-CB 3.36Å; D406-T410 PolarHBondContact O-N 3.08Å; D406-T410 PolarHBondContact O-OG1 2.86Å; F407-T410 PolarHBondContact O-N 3.19Å; T410-S412 VanDerWaalsContact C-N 3.3Å; T410-S412 PolarHBondContact O-N 2.9Å; T410-Q413 PolarHBondContact O-N 3.49Å; T410-A414 PolarHBondContact O-N 2.96Å
411	L	85.6	Confident	84	Confident	29 Å²	29	64.7 Å²	64.7	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-59	-41.7	177.3	-176.8	66	0	0	0	111.5	P381 F407 Q413 A414 S500	P381-L411 HydrophobicContact CG-CD1 3.62Å; F407-L411 HydrophobicContact CE1-CD2 4.25Å; F407-L411 WeakPolarHBondContact O-CB 3.45Å; F407-L411 PolarHBondContact O-N 3.32Å; L411-Q413 PolarHBondContact O-N 2.97Å; L411-A414 PolarHBondContact O-N 3.42Å; L411-S500 VanDerWaalsContact CD1-OG 3.26Å; L411-S500 WeakPolarHBondContact CD1-OG 3.44Å; L411-S500 VanDerWaalsContact O-CA 3.25Å; L411-S500 WeakPolarHBondContact O-CA 3.48Å; L411-S500 PolarHBondContact O-N 2.77Å
412	S	86.9	Confident	84.7	Confident	27 Å²	27	68.9 Å²	68.9	19%	0.189	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.7	178.2	83.5	0	0	0	0	114.3	E408 K409 T410 R494 N498	E408-S412 VanDerWaalsContact O-CB 3.26Å; E408-S412 WeakPolarHBondContact O-CB 3.44Å; E408-S412 PolarHBondContact O-N 2.85Å; K409-S412 PolarHBondContact O-N 3.17Å; K409-S412 PolarHBondContact O-OG 3.41Å; T410-S412 VanDerWaalsContact C-N 3.3Å; T410-S412 PolarHBondContact O-N 2.9Å; S412-R494 PolarHBondContact O-NH1 3.38Å; S412-R494 PolarHBondContact O-NH2 3.12Å; S412-N498 WeakPolarHBondContact CA-O 3.32Å; S412-N498 VanDerWaalsContact CB-O 3.25Å; S412-N498 WeakPolarHBondContact CB-O 3.16Å
413	Q	86.1	Confident	85.4	Confident	114 Å²	114	65.3 Å²	65.3	53%	0.533	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-16.9	179	-67.1	178.6	-8.7	0	0	112.8	K409 T410 L411	K409-Q413 WeakPolarHBondContact O-CG 3.3Å; K409-Q413 PolarHBondContact O-N 3Å; T410-Q413 PolarHBondContact O-N 3.49Å; L411-Q413 PolarHBondContact O-N 2.97Å
414	A	89.1	Confident	85.5	Confident	1 Å²	1	71 Å²	71	1%	0.008	34%	0.339	C	S	.	.			trans	-71.3	157.7	177.5	0	0	0	0	0	112.9	L380 A384 Q385 T410 L411 S500 F501	L380-A414 HydrophobicContact CD1-CB 4.03Å; A384-A414 HydrophobicContact CB-CB 3.82Å; Q385-A414 CarbonylContact O-C 3.46Å; Q385-A414 VanDerWaalsContact O-CA 3.25Å; Q385-A414 WeakPolarHBondContact O-CA 3.43Å; Q385-A414 WeakPolarHBondContact O-CB 3.49Å; T410-A414 PolarHBondContact O-N 2.96Å; L411-A414 PolarHBondContact O-N 3.42Å; A414-S500 WeakPolarHBondContact O-CA 3.36Å; A414-S500 WeakPolarHBondContact O-CB 3.36Å; A414-F501 PolarHBondContact O-N 3.28Å
415	I	89.4	Confident	85.9	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.4	-175.8	-63.5	158.5	0	0	0	109.8	Q385 R387 L390 K417 F501 R503	Q385-I415 PolarHBondContact N-O 2.88Å; Q385-I415 PolarHBondContact O-N 3.34Å; R387-I415 HydrophobicContact CB-CD1 4.27Å; R387-I415 HydrophobicContact CG-CD1 3.91Å; L390-I415 HydrophobicContact CD1-CB 3.59Å; L390-I415 HydrophobicContact CD1-CD1 3.97Å; L390-I415 HydrophobicContact CD1-CG1 4.39Å; L390-I415 HydrophobicContact CD1-CG2 3.59Å; I415-K417 PolarHBondContact O-N 3.26Å; I415-F501 CarbonylContact C-O 3.47Å; I415-F501 WeakPolarHBondContact CA-O 3.46Å; I415-F501 HydrophobicContact CG1-CB 4.05Å; I415-R503 HydrophobicContact CG2-CB 4Å
416	V	91.1	Very high	86.3	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	104.8	170.4	176.2	0	0	0	0	108.4	F382 A384 V418 V470 F501 W502 R503	F382-V416 HydrophobicContact CB-CG1 4.16Å; F382-V416 HydrophobicContact CB-CG2 3.84Å; A384-V416 HydrophobicContact CB-CG2 3.65Å; V416-V418 HydrophobicContact CG1-CG2 4.37Å; V416-V418 PolarHBondContact O-N 3.39Å; V416-V470 HydrophobicContact CG1-CG1 3.49Å; V416-V470 VanDerWaalsContact CG1-CG1 3.49Å; V416-F501 PolarHBondContact N-O 3.04Å; V416-W502 HydrophobicContact CB-CD2 4.1Å; V416-W502 HydrophobicContact CB-CE3 4.35Å; V416-W502 HydrophobicContact CB-CG 4.3Å; V416-W502 HydrophobicContact CG1-CD2 4.05Å; V416-W502 HydrophobicContact CG1-CE3 3.82Å; V416-W502 HydrophobicContact CG1-CH2 4.27Å; V416-W502 HydrophobicContact CG1-CZ2 4.46Å; V416-W502 HydrophobicContact CG1-CZ3 3.94Å; V416-W502 HydrophobicContact CG2-CD2 4.48Å; V416-R503 PolarHBondContact O-N 3.21Å
417	K	89.6	Confident	86.8	Confident	46 Å²	46	61.7 Å²	61.7	20%	0.2	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	107.2	170.2	-178.4	-171.5	176.2	-166.8	0	108.4	E370 H371 L373 P375 I415 V419	E370-K417 PolarHBondContact O-NZ 3.15Å; H371-K417 WeakPolarHBondContact O-CE 3.35Å; H371-K417 PolarHBondContact O-NZ 2.89Å; L373-K417 PolarHBondContact O-NZ 3.22Å; P375-K417 HydrophobicContact CG-CB 4.26Å; I415-K417 PolarHBondContact O-N 3.26Å; K417-V419 HydrophobicContact CD-CG2 4.25Å; K417-V419 HydrophobicContact CG-CG2 4.15Å
418	V	90.5	Very high	87.2	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.03	31%	0.308	C	S	.	.			trans	-80	126.5	175.4	-176.4	0	0	0	0	109.3	V416 V470 Y471 W474 W502 R503 P505	V416-V418 HydrophobicContact CG1-CG2 4.37Å; V416-V418 PolarHBondContact O-N 3.39Å; V418-V470 HydrophobicContact CB-CG1 4.46Å; V418-V470 HydrophobicContact CG1-CG1 4.47Å; V418-V470 HydrophobicContact CG2-CG1 4.01Å; V418-Y471 HydrophobicContact CG1-CD2 4.11Å; V418-W474 HydrophobicContact CB-CB 4.48Å; V418-W474 HydrophobicContact CB-CD2 4.5Å; V418-W474 HydrophobicContact CB-CG 4.26Å; V418-W474 HydrophobicContact CG1-CB 3.87Å; V418-W474 HydrophobicContact CG1-CD2 3.81Å; V418-W474 HydrophobicContact CG1-CE3 3.78Å; V418-W474 HydrophobicContact CG1-CG 3.8Å; V418-W474 HydrophobicContact CG2-CB 3.81Å; V418-W474 HydrophobicContact CG2-CD2 4.49Å; V418-W474 HydrophobicContact CG2-CG 3.78Å; V418-W502 HydrophobicContact CG2-CE3 3.72Å; V418-W502 HydrophobicContact CG2-CZ3 4.2Å; V418-R503 VanDerWaalsContact CB-O 3.26Å; V418-R503 WeakPolarHBondContact CB-O 3.33Å; V418-R503 WeakPolarHBondContact CG2-O 3.45Å; V418-R503 PolarHBondContact N-O 3.43Å; V418-P505 HydrophobicContact CG1-CG 4.43Å
419	V	88.3	Confident	87.7	Confident	12 Å²	12	58.3 Å²	58.3	7%	0.073	30%	0.297	C	S	.	.			trans	-117.8	141.1	-179.5	171.8	0	0	0	0	109.3	T372 K417 P421 Y471	T372-V419 WeakPolarHBondContact O-CG1 3.41Å; K417-V419 HydrophobicContact CD-CG2 4.25Å; K417-V419 HydrophobicContact CG-CG2 4.15Å; V419-P421 WeakPolarHBondContact O-CD 3.3Å; V419-Y471 WeakPolarHBondContact O-CD2 3.33Å
420	I	88.1	Confident	88.1	Confident	51 Å²	51	52.4 Å²	52.4	26%	0.262	27%	0.272	S	S	.	.			trans	-79.4	125.7	177.8	-48.9	-175.1	0	0	0	108.8	T422 L427 Y471 W488 P505	I420-T422 PolarHBondContact O-N 2.88Å; I420-L427 HydrophobicContact CG2-CD1 3.92Å; I420-L427 HydrophobicContact CG2-CD2 4.16Å; I420-Y471 HydrophobicContact CB-CD2 4.5Å; I420-Y471 HydrophobicContact CB-CE2 4.17Å; I420-Y471 HydrophobicContact CG1-CD2 4.44Å; I420-Y471 HydrophobicContact CG1-CE2 3.94Å; I420-Y471 HydrophobicContact CG2-CE2 3.99Å; I420-W488 HydrophobicContact CD1-CH2 4.49Å; I420-W488 HydrophobicContact CD1-CZ2 4.39Å; I420-P505 HydrophobicContact CD1-CB 4.05Å; I420-P505 HydrophobicContact CD1-CG 4.24Å; I420-P505 HydrophobicContact CG1-CB 3.67Å; I420-P505 HydrophobicContact CG1-CG 3.89Å
421	P	87.6	Confident	88.5	Confident	19 Å²	19	54.1 Å²	54.1	12%	0.123	28%	0.277	C	S	.	.			trans	-55.6	126.8	173.9	-28.2	35.4	0	0	0	112.3	V419 E423 I430 Y471	V419-P421 WeakPolarHBondContact O-CD 3.3Å; P421-E423 VanDerWaalsContact C-N 3.34Å; P421-I430 HydrophobicContact CG-CD1 4.12Å; P421-Y471 HydrophobicContact CG-CD1 4.01Å; P421-Y471 HydrophobicContact CG-CG 4.06Å
422	T	80.4	Confident	88.9	Confident	130 Å²	130	60.1 Å²	60.1	80%	0.798	30%	0.297	S	S	*	.	S	Bend	trans	-71.3	-29	178.7	49.2	0	0	0	0	112.6	I420 R424	I420-T422 PolarHBondContact O-N 2.88Å; T422-R424 PolarHBondContact O-N 2.88Å; T422-R424 VanDerWaalsContact O-N 3.09Å
423	E	84.8	Confident	89.2	Confident	124 Å²	124	59.3 Å²	59.3	58%	0.579	29%	0.29	S	S	*	.			trans	-68.4	102	175.6	-75.4	-178.8	-131.8	0	0	112	P421 N425 L426 L427	P421-E423 VanDerWaalsContact C-N 3.34Å; E423-N425 PolarHBondContact O-N 2.84Å; E423-N425 VanDerWaalsContact O-N 3.13Å; E423-L426 HydrophobicContact CB-CB 3.78Å; E423-L426 PolarHBondContact O-N 3.45Å; E423-L426 VanDerWaalsContact O-N 3.14Å; E423-L427 WeakPolarHBondContact O-CB 3.31Å; E423-L427 PolarHBondContact O-N 2.6Å
424	R	83.8	Confident	89.6	Confident	214 Å²	214	54 Å²	54	81%	0.808	27%	0.266	S	S	*	.	H	α-helix	trans	-52.8	-36.4	179.4	-172.3	176.5	-177.6	174.5	2.2	114	T422 A428	T422-R424 PolarHBondContact O-N 2.88Å; T422-R424 VanDerWaalsContact O-N 3.09Å; R424-A428 WeakPolarHBondContact O-CB 3.25Å; R424-A428 PolarHBondContact O-N 3.05Å
425	N	88.6	Confident	89.8	Confident	126 Å²	126	59.7 Å²	59.7	67%	0.674	29%	0.292	S	S	*	.	H	α-helix	trans	-70	-45.9	180	-66.7	-17.7	0	0	0	111.6	E423 A428 L429	E423-N425 PolarHBondContact O-N 2.84Å; E423-N425 VanDerWaalsContact O-N 3.13Å; N425-A428 PolarHBondContact O-N 2.82Å; N425-L429 WeakPolarHBondContact O-CB 3.32Å; N425-L429 PolarHBondContact O-N 3.06Å
426	L	90.3	Very high	90.1	Very high	26 Å²	26	62.1 Å²	62.1	14%	0.136	30%	0.303	C	S	.	.	H	α-helix	trans	-64.9	-42.8	175.5	179.1	59.3	0	0	0	111.2	E423 A428 L429 I430 F460 A468	E423-L426 HydrophobicContact CB-CB 3.78Å; E423-L426 PolarHBondContact O-N 3.45Å; E423-L426 VanDerWaalsContact O-N 3.14Å; L426-A428 PolarHBondContact O-N 3.33Å; L426-L429 PolarHBondContact O-N 3.06Å; L426-I430 HydrophobicContact CD1-CD1 4.03Å; L426-I430 HydrophobicContact CD1-CG1 4.3Å; L426-I430 HydrophobicContact CG-CD1 3.88Å; L426-I430 WeakPolarHBondContact O-CB 3.47Å; L426-I430 VanDerWaalsContact O-CG1 3.27Å; L426-I430 WeakPolarHBondContact O-CG1 3.43Å; L426-I430 PolarHBondContact O-N 2.87Å; L426-F460 HydrophobicContact CD1-CD1 3.73Å; L426-F460 HydrophobicContact CD1-CE1 4.35Å; L426-F460 HydrophobicContact CD1-CG 4.41Å; L426-A468 HydrophobicContact CD2-CB 3.97Å
427	L	89.3	Confident	90.2	Very high	37 Å²	37	62.5 Å²	62.5	19%	0.194	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-46.5	176.5	-175.9	64.5	0	0	0	111.9	I420 E423 L429 I430 H431 Y471	I420-L427 HydrophobicContact CG2-CD1 3.92Å; I420-L427 HydrophobicContact CG2-CD2 4.16Å; E423-L427 WeakPolarHBondContact O-CB 3.31Å; E423-L427 PolarHBondContact O-N 2.6Å; L427-L429 PolarHBondContact O-N 3.02Å; L427-I430 PolarHBondContact O-N 3.01Å; L427-H431 WeakPolarHBondContact CD1-NE2 3.45Å; L427-H431 PolarHBondContact O-CD2 2.98Å; L427-H431 PolarHBondContact O-N 2.99Å; L427-Y471 HydrophobicContact CD1-CD1 4.24Å; L427-Y471 HydrophobicContact CD1-CE1 3.47Å; L427-Y471 VanDerWaalsContact CD1-CE1 3.47Å
428	A	89.6	Confident	90.4	Very high	59 Å²	59	63.3 Å²	63.3	49%	0.488	31%	0.314	S	S	.	.	H	α-helix	trans	-65	-37.2	176.5	0	0	0	0	0	112.5	R424 N425 L426 R432	R424-A428 WeakPolarHBondContact O-CB 3.25Å; R424-A428 PolarHBondContact O-N 3.05Å; N425-A428 PolarHBondContact O-N 2.82Å; L426-A428 PolarHBondContact O-N 3.33Å; A428-R432 WeakPolarHBondContact O-CB 3.47Å; A428-R432 PolarHBondContact O-N 3.19Å
429	L	93.8	Very high	90.6	Very high	35 Å²	35	69.8 Å²	69.8	18%	0.183	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-42	174.2	-177.9	59.8	0	0	0	111.9	N425 L426 L427 R432 M433 M457 F458 F460	N425-L429 WeakPolarHBondContact O-CB 3.32Å; N425-L429 PolarHBondContact O-N 3.06Å; L426-L429 PolarHBondContact O-N 3.06Å; L427-L429 PolarHBondContact O-N 3.02Å; L429-R432 PolarHBondContact O-N 3.23Å; L429-M433 WeakPolarHBondContact O-CB 3.39Å; L429-M433 PolarHBondContact O-N 3.29Å; L429-M457 HydrophobicContact CD2-CB 3.82Å; L429-M457 HydrophobicContact CD2-CE 4.39Å; L429-M457 VanDerWaalsContact CD2-O 3.29Å; L429-M457 WeakPolarHBondContact CD2-O 3.29Å; L429-F458 HydrophobicContact CD1-CE1 3.79Å; L429-F458 HydrophobicContact CD1-CZ 3.87Å; L429-F458 HydrophobicContact CD2-CD1 4.36Å; L429-F458 HydrophobicContact CD2-CE1 4.09Å; L429-F458 HydrophobicContact CD2-CZ 4.25Å; L429-F458 HydrophobicContact CG-CE1 4.16Å; L429-F460 HydrophobicContact CD2-CE1 4.31Å; L429-F460 HydrophobicContact CG-CE1 4.34Å
430	I	93.6	Very high	90.8	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-62.6	-46.6	175.3	-72.1	165.5	0	0	0	110.8	P421 L426 L427 R432 M433 I434 F460 A468 Y471 Y472	P421-I430 HydrophobicContact CG-CD1 4.12Å; L426-I430 HydrophobicContact CD1-CD1 4.03Å; L426-I430 HydrophobicContact CD1-CG1 4.3Å; L426-I430 HydrophobicContact CG-CD1 3.88Å; L426-I430 WeakPolarHBondContact O-CB 3.47Å; L426-I430 VanDerWaalsContact O-CG1 3.27Å; L426-I430 WeakPolarHBondContact O-CG1 3.43Å; L426-I430 PolarHBondContact O-N 2.87Å; L427-I430 PolarHBondContact O-N 3.01Å; I430-R432 PolarHBondContact O-N 3.2Å; I430-M433 WeakPolarHBondContact O-CB 3.28Å; I430-M433 PolarHBondContact O-N 3.1Å; I430-I434 HydrophobicContact CG2-CD1 3.85Å; I430-I434 VanDerWaalsContact O-CG1 3.28Å; I430-I434 WeakPolarHBondContact O-CG1 3.35Å; I430-I434 PolarHBondContact O-N 2.86Å; I430-F460 HydrophobicContact CD1-CD2 4.33Å; I430-F460 HydrophobicContact CD1-CG 4.28Å; I430-F460 HydrophobicContact CG1-CD1 4.06Å; I430-F460 HydrophobicContact CG1-CD2 3.85Å; I430-F460 HydrophobicContact CG1-CE1 3.93Å; I430-F460 HydrophobicContact CG1-CE2 3.73Å; I430-F460 HydrophobicContact CG1-CG 4.03Å; I430-F460 HydrophobicContact CG1-CZ 3.77Å; I430-A468 HydrophobicContact CD1-CB 4.16Å; I430-Y471 HydrophobicContact CG2-CD1 3.95Å; I430-Y471 HydrophobicContact CG2-CE1 4.12Å; I430-Y472 HydrophobicContact CG2-CD2 4.12Å
431	H	93	Very high	91	Very high	77 Å²	77	72.6 Å²	72.6	36%	0.356	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-43.9	177.4	-69.9	178.8	0	0	0	111.9	L427 I434 E435 Y471	L427-H431 WeakPolarHBondContact CD1-NE2 3.45Å; L427-H431 PolarHBondContact O-CD2 2.98Å; L427-H431 PolarHBondContact O-N 2.99Å; H431-I434 PolarHBondContact O-N 3.14Å; H431-E435 PolarHBondContact O-N 3.22Å; H431-Y471 AromaticContact NE2-CE1 3.66Å; H431-Y471 AromaticContact NE2-CZ 3.74Å; H431-Y471 PolarHBondContact NE2-OH 3.34Å
432	R	93.8	Very high	91.2	Very high	155 Å²	155	76.8 Å²	76.8	59%	0.585	38%	0.381	S	S	*	.	H	α-helix	trans	-63.4	-40.7	175	-168.4	178.4	-177.2	106.2	-0.4	111.8	A428 L429 I430 I434 E435 F436	A428-R432 WeakPolarHBondContact O-CB 3.47Å; A428-R432 PolarHBondContact O-N 3.19Å; L429-R432 PolarHBondContact O-N 3.23Å; I430-R432 PolarHBondContact O-N 3.2Å; R432-I434 VanDerWaalsContact C-N 3.34Å; R432-I434 PolarHBondContact O-N 3.26Å; R432-E435 WeakPolarHBondContact O-CB 3.37Å; R432-E435 PolarHBondContact O-N 2.89Å; R432-F436 HydrophobicContact CG-CD2 4.14Å; R432-F436 HydrophobicContact CG-CE2 3.93Å; R432-F436 VanDerWaalsContact O-CD2 3.28Å; R432-F436 WeakPolarHBondContact O-CD2 3.46Å; R432-F436 PolarHBondContact O-N 2.92Å
433	M	93.4	Very high	91.6	Very high	9 Å²	9	78.3 Å²	78.3	4%	0.044	38%	0.381	C	S	.	.	H	α-helix	trans	-57.8	-47.9	174.5	-176.4	52.6	56.1	0	0	111.2	L429 I430 E435 F436 V437 F444 I448 F458 F460 L461 Y472	L429-M433 WeakPolarHBondContact O-CB 3.39Å; L429-M433 PolarHBondContact O-N 3.29Å; I430-M433 WeakPolarHBondContact O-CB 3.28Å; I430-M433 PolarHBondContact O-N 3.1Å; M433-E435 VanDerWaalsContact C-N 3.35Å; M433-E435 PolarHBondContact O-N 3.45Å; M433-F436 PolarHBondContact O-N 3.43Å; M433-V437 HydrophobicContact CG-CG2 4.29Å; M433-V437 WeakPolarHBondContact O-CG2 3.48Å; M433-V437 PolarHBondContact O-N 3.37Å; M433-V437 HydrophobicContact SD-CG2 3.88Å; M433-F444 HydrophobicContact CE-CE1 4.27Å; M433-F444 HydrophobicContact SD-CD1 4.16Å; M433-F444 HydrophobicContact SD-CE1 3.78Å; M433-I448 HydrophobicContact CE-CB 4.21Å; M433-I448 HydrophobicContact CE-CG1 4.09Å; M433-I448 HydrophobicContact CE-CG2 3.74Å; M433-I448 HydrophobicContact SD-CG1 4.48Å; M433-F458 HydrophobicContact CE-CD1 4.05Å; M433-F458 HydrophobicContact CE-CE1 3.57Å; M433-F460 HydrophobicContact CB-CZ 4.2Å; M433-F460 HydrophobicContact CG-CE2 4.49Å; M433-F460 HydrophobicContact CG-CZ 4.22Å; M433-L461 HydrophobicContact CG-CD2 4.31Å; M433-Y472 HydrophobicContact CB-CE2 4.35Å; M433-Y472 HydrophobicContact CG-CE2 3.77Å
434	I	94.6	Very high	92	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-61.9	-41.7	179.1	-65	164.6	0	0	0	111.2	I430 H431 R432 F436 V437 V438 Y472 K475 L476 I479	I430-I434 HydrophobicContact CG2-CD1 3.85Å; I430-I434 VanDerWaalsContact O-CG1 3.28Å; I430-I434 WeakPolarHBondContact O-CG1 3.35Å; I430-I434 PolarHBondContact O-N 2.86Å; H431-I434 PolarHBondContact O-N 3.14Å; R432-I434 VanDerWaalsContact C-N 3.34Å; R432-I434 PolarHBondContact O-N 3.26Å; I434-F436 VanDerWaalsContact C-N 3.34Å; I434-F436 PolarHBondContact O-N 2.79Å; I434-V437 PolarHBondContact O-N 2.97Å; I434-V438 HydrophobicContact CG2-CG2 3.97Å; I434-V438 WeakPolarHBondContact O-CB 3.23Å; I434-V438 VanDerWaalsContact O-CG2 3.24Å; I434-V438 WeakPolarHBondContact O-CG2 3.31Å; I434-V438 PolarHBondContact O-N 2.94Å; I434-Y472 HydrophobicContact CD1-CD2 3.96Å; I434-Y472 HydrophobicContact CD1-CE2 4.42Å; I434-Y472 HydrophobicContact CG1-CD2 3.58Å; I434-Y472 HydrophobicContact CG1-CE2 3.54Å; I434-K475 HydrophobicContact CD1-CB 3.7Å; I434-K475 HydrophobicContact CD1-CG 3.78Å; I434-L476 HydrophobicContact CG1-CB 4.23Å; I434-L476 HydrophobicContact CG2-CB 4.39Å; I434-L476 HydrophobicContact CG2-CD1 3.98Å; I434-I479 HydrophobicContact CG2-CD1 3.81Å
435	E	92.8	Very high	92.5	Very high	121 Å²	121	65 Å²	65	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-54.9	-47.2	175.5	-171.1	-168.2	160.5	0	0	112	H431 R432 M433 R439	H431-E435 PolarHBondContact O-N 3.22Å; R432-E435 WeakPolarHBondContact O-CB 3.37Å; R432-E435 PolarHBondContact O-N 2.89Å; M433-E435 VanDerWaalsContact C-N 3.35Å; M433-E435 PolarHBondContact O-N 3.45Å; E435-R439 WeakPolarHBondContact O-CB 3.11Å; E435-R439 PolarHBondContact O-N 3.18Å
436	F	94.6	Very high	92.6	Very high	55 Å²	55	61.3 Å²	61.3	24%	0.241	32%	0.315	C	S	.	.	H	α-helix	trans	-71.8	-39.4	177.3	-76.5	-81.4	0	0	0	113	R432 M433 I434 V438 R439 E440 F444	R432-F436 HydrophobicContact CG-CD2 4.14Å; R432-F436 HydrophobicContact CG-CE2 3.93Å; R432-F436 VanDerWaalsContact O-CD2 3.28Å; R432-F436 WeakPolarHBondContact O-CD2 3.46Å; R432-F436 PolarHBondContact O-N 2.92Å; M433-F436 PolarHBondContact O-N 3.43Å; I434-F436 VanDerWaalsContact C-N 3.34Å; I434-F436 PolarHBondContact O-N 2.79Å; F436-V438 PolarHBondContact O-N 3.46Å; F436-R439 VanDerWaalsContact CD1-NH2 3.3Å; F436-R439 VanDerWaalsContact CE1-NH2 3.33Å; F436-R439 PolarHBondContact O-N 3.01Å; F436-E440 WeakPolarHBondContact O-CB 3.49Å; F436-E440 WeakPolarHBondContact O-CG 3.44Å; F436-E440 PolarHBondContact O-N 2.91Å; F436-F444 HydrophobicContact CB-CD1 3.76Å; F436-F444 HydrophobicContact CB-CD2 4.47Å; F436-F444 HydrophobicContact CB-CE1 3.34Å; F436-F444 HydrophobicContact CB-CE2 4.12Å; F436-F444 HydrophobicContact CB-CG 4.31Å; F436-F444 HydrophobicContact CB-CZ 3.55Å; F436-F444 HydrophobicContact CD1-CE2 4.25Å; F436-F444 HydrophobicContact CD1-CZ 4.17Å; F436-F444 HydrophobicContact CG-CE1 4.13Å; F436-F444 HydrophobicContact CG-CE2 4.36Å; F436-F444 AromaticContact CG-CZ 3.85Å; F436-F444 HydrophobicContact CG-CZ 3.85Å
437	V	95.1	Very high	92.7	Very high	10 Å²	10	65.1 Å²	65.1	6%	0.061	33%	0.333	C	S	.	.	H	α-helix	trans	-68.4	-33.2	178.8	173.6	0	0	0	0	112.3	M433 I434 G441 F444 E445 L476	M433-V437 HydrophobicContact CG-CG2 4.29Å; M433-V437 WeakPolarHBondContact O-CG2 3.48Å; M433-V437 PolarHBondContact O-N 3.37Å; M433-V437 HydrophobicContact SD-CG2 3.88Å; I434-V437 PolarHBondContact O-N 2.97Å; V437-G441 CarbonylContact O-C 3.59Å; V437-G441 WeakPolarHBondContact O-CA 3.45Å; V437-G441 PolarHBondContact O-N 3.42Å; V437-F444 HydrophobicContact CG2-CD1 3.85Å; V437-E445 HydrophobicContact CG1-CB 4.42Å; V437-E445 HydrophobicContact CG2-CB 3.9Å; V437-L476 HydrophobicContact CB-CD1 4.46Å; V437-L476 HydrophobicContact CG1-CD1 4Å; V437-L476 HydrophobicContact CG1-CD2 4.06Å
438	V	93.3	Very high	92.8	Very high	63 Å²	63	64.3 Å²	64.3	38%	0.382	33%	0.329	S	S	.	.	H	α-helix	trans	-70.8	-33.4	172.9	171.7	0	0	0	0	111.5	I434 F436 L476 I479 L480	I434-V438 HydrophobicContact CG2-CG2 3.97Å; I434-V438 WeakPolarHBondContact O-CB 3.23Å; I434-V438 VanDerWaalsContact O-CG2 3.24Å; I434-V438 WeakPolarHBondContact O-CG2 3.31Å; I434-V438 PolarHBondContact O-N 2.94Å; F436-V438 PolarHBondContact O-N 3.46Å; V438-L476 HydrophobicContact CG2-CD1 3.65Å; V438-I479 HydrophobicContact CG1-CG2 4.42Å; V438-I479 HydrophobicContact CG2-CG2 4Å; V438-L480 HydrophobicContact CG1-CD2 4.46Å; V438-L480 HydrophobicContact CG2-CD2 4.16Å; V438-L480 HydrophobicContact CG2-CG 4.38Å
439	R	93.4	Very high	92.8	Very high	141 Å²	141	63.6 Å²	63.6	53%	0.532	32%	0.316	S	S	.	.	H	α-helix	trans	-86.5	-38.2	-176.9	-165.4	179.6	59.2	63.4	5.9	114.3	E435 F436	E435-R439 WeakPolarHBondContact O-CB 3.11Å; E435-R439 PolarHBondContact O-N 3.18Å; F436-R439 VanDerWaalsContact CD1-NH2 3.3Å; F436-R439 VanDerWaalsContact CE1-NH2 3.33Å; F436-R439 PolarHBondContact O-N 3.01Å
440	E	93.5	Very high	92.7	Very high	102 Å²	102	68.3 Å²	68.3	48%	0.477	34%	0.341	S	S	.	.	H	α-helix	trans	-104.1	-10.1	-176.7	-53.7	-72.2	-163.7	0	0	112.9	F436 F444	F436-E440 WeakPolarHBondContact O-CB 3.49Å; F436-E440 WeakPolarHBondContact O-CG 3.44Å; F436-E440 PolarHBondContact O-N 2.91Å; E440-F444 HydrophobicContact CB-CB 3.78Å; E440-F444 HydrophobicContact CB-CD2 4.26Å; E440-F444 HydrophobicContact CB-CG 4.23Å; E440-F444 HydrophobicContact CG-CD2 4.14Å; E440-F444 HydrophobicContact CG-CG 4.49Å
441	G	91.6	Very high	92.7	Very high	20 Å²	20	77.1 Å²	77.1	21%	0.206	38%	0.375	C	S	.	.			trans	81.7	-178.9	-179.3	0	0	0	0	0	115.1	V437 M443 F444	V437-G441 CarbonylContact O-C 3.59Å; V437-G441 WeakPolarHBondContact O-CA 3.45Å; V437-G441 PolarHBondContact O-N 3.42Å; G441-M443 PolarHBondContact O-N 2.95Å; G441-M443 VanDerWaalsContact O-N 3.13Å; G441-F444 WeakPolarHBondContact O-CB 3.45Å; G441-F444 PolarHBondContact O-N 3.48Å
442	P	92.1	Very high	92.6	Very high	106 Å²	106	75.3 Å²	75.3	69%	0.688	37%	0.366	S	S	*	.	H	α-helix	trans	-66.8	-16.1	-172.5	27.1	-35.8	0	0	0	114.4	F444 E445 A446	P442-F444 PolarHBondContact O-N 2.96Å; P442-E445 PolarHBondContact O-N 3.48Å; P442-A446 PolarHBondContact O-N 3.46Å
443	M	89.3	Confident	92.4	Very high	162 Å²	162	73 Å²	73	80%	0.798	36%	0.364	S	S	*	.	H	α-helix	trans	-63.7	-30.2	172.3	-68.1	-177	67.9	0	0	112	G441 M447	G441-M443 PolarHBondContact O-N 2.95Å; G441-M443 VanDerWaalsContact O-N 3.13Å; M443-M447 WeakPolarHBondContact O-CB 3.21Å; M443-M447 PolarHBondContact O-N 3.47Å
444	F	93.8	Very high	92.3	Very high	36 Å²	36	80.1 Å²	80.1	16%	0.158	40%	0.403	C	S	.	.	H	α-helix	trans	-68.8	-42	174.4	-176.2	-87.7	0	0	0	111.8	M433 F436 V437 E440 G441 P442 A446 M447 I448	M433-F444 HydrophobicContact CE-CE1 4.27Å; M433-F444 HydrophobicContact SD-CD1 4.16Å; M433-F444 HydrophobicContact SD-CE1 3.78Å; F436-F444 HydrophobicContact CB-CD1 3.76Å; F436-F444 HydrophobicContact CB-CD2 4.47Å; F436-F444 HydrophobicContact CB-CE1 3.34Å; F436-F444 HydrophobicContact CB-CE2 4.12Å; F436-F444 HydrophobicContact CB-CG 4.31Å; F436-F444 HydrophobicContact CB-CZ 3.55Å; F436-F444 HydrophobicContact CD1-CE2 4.25Å; F436-F444 HydrophobicContact CD1-CZ 4.17Å; F436-F444 HydrophobicContact CG-CE1 4.13Å; F436-F444 HydrophobicContact CG-CE2 4.36Å; F436-F444 AromaticContact CG-CZ 3.85Å; F436-F444 HydrophobicContact CG-CZ 3.85Å; V437-F444 HydrophobicContact CG2-CD1 3.85Å; E440-F444 HydrophobicContact CB-CB 3.78Å; E440-F444 HydrophobicContact CB-CD2 4.26Å; E440-F444 HydrophobicContact CB-CG 4.23Å; E440-F444 HydrophobicContact CG-CD2 4.14Å; E440-F444 HydrophobicContact CG-CG 4.49Å; G441-F444 WeakPolarHBondContact O-CB 3.45Å; G441-F444 PolarHBondContact O-N 3.48Å; P442-F444 PolarHBondContact O-N 2.96Å; F444-A446 PolarHBondContact O-N 3.42Å; F444-M447 HydrophobicContact CD2-CE 3.76Å; F444-M447 HydrophobicContact CE2-CE 3.9Å; F444-M447 PolarHBondContact O-N 3.14Å; F444-I448 HydrophobicContact CD1-CG1 4.06Å; F444-I448 HydrophobicContact CE1-CD1 4.26Å; F444-I448 HydrophobicContact CE1-CG1 3.61Å; F444-I448 HydrophobicContact CE2-CD1 4.47Å; F444-I448 HydrophobicContact CE2-CG1 4.47Å; F444-I448 HydrophobicContact CZ-CD1 3.97Å; F444-I448 HydrophobicContact CZ-CG1 3.84Å; F444-I448 WeakPolarHBondContact O-CG1 3.41Å; F444-I448 PolarHBondContact O-N 3.18Å
445	E	93.2	Very high	92	Very high	23 Å²	23	82.3 Å²	82.3	11%	0.107	42%	0.415	C	S	.	.	H	α-helix	trans	-57.3	-51.1	174.9	-172.7	-177.9	125.9	0	0	110.4	V437 P442 M447 I448 M449 L461 Y472 R473	V437-E445 HydrophobicContact CG1-CB 4.42Å; V437-E445 HydrophobicContact CG2-CB 3.9Å; P442-E445 PolarHBondContact O-N 3.48Å; E445-M447 VanDerWaalsContact C-N 3.33Å; E445-M447 PolarHBondContact O-N 2.89Å; E445-I448 PolarHBondContact O-N 2.96Å; E445-M449 HydrophobicContact CG-CG 4.48Å; E445-M449 HydrophobicContact CG-SD 4.2Å; E445-M449 WeakPolarHBondContact O-CG 3.15Å; E445-M449 PolarHBondContact O-N 3.33Å; E445-L461 HydrophobicContact CG-CD2 4.36Å; E445-Y472 WeakPolarHBondContact OE2-CE1 3.43Å; E445-Y472 PolarHBondContact OE2-OH 3.24Å; E445-R473 IonicContact OE1-CZ 2.74Å; E445-R473 IonicContact OE1-NH1 2.72Å; E445-R473 PolarHBondContact OE1-NH1 3.27Å; E445-R473 IonicContact OE1-NH2 2.72Å; E445-R473 PolarHBondContact OE1-NH2 3.11Å; E445-R473 IonicContact OE2-CZ 2.81Å; E445-R473 IonicContact OE2-NH1 3.6Å; E445-R473 PolarHBondContact OE2-NH1 3.17Å
446	A	90.8	Very high	91.8	Very high	48 Å²	48	81.3 Å²	81.3	40%	0.397	42%	0.419	S	S	.	.	H	α-helix	trans	-61.2	-38.2	178.6	0	0	0	0	0	113.1	P442 F444 M449 N450	P442-A446 PolarHBondContact O-N 3.46Å; F444-A446 PolarHBondContact O-N 3.42Å; A446-M449 PolarHBondContact O-N 3.39Å; A446-N450 PolarHBondContact O-N 2.82Å; A446-N450 PolarHBondContact O-ND2 3.43Å
447	M	92.1	Very high	91.3	Very high	106 Å²	106	83.1 Å²	83.1	52%	0.522	43%	0.429	S	S	.	.	H	α-helix	trans	-63.6	-43.6	175.8	-176.8	-176.7	66.7	0	0	111.9	M443 F444 E445 R451	M443-M447 WeakPolarHBondContact O-CB 3.21Å; M443-M447 PolarHBondContact O-N 3.47Å; F444-M447 HydrophobicContact CD2-CE 3.76Å; F444-M447 HydrophobicContact CE2-CE 3.9Å; F444-M447 PolarHBondContact O-N 3.14Å; E445-M447 VanDerWaalsContact C-N 3.33Å; E445-M447 PolarHBondContact O-N 2.89Å; M447-R451 VanDerWaalsContact O-CB 3.29Å; M447-R451 WeakPolarHBondContact O-CB 3.46Å; M447-R451 PolarHBondContact O-N 3.13Å; M447-R451 VanDerWaalsContact O-N 3.13Å
448	I	92.7	Very high	91.1	Very high	20 Å²	20	83.9 Å²	83.9	10%	0.103	43%	0.431	C	S	.	.	H	α-helix	trans	-69.8	-40.1	177.1	-60.9	-61.8	0	0	0	111	M433 F444 E445 N450 R451 E452 F458 L461	M433-I448 HydrophobicContact CE-CB 4.21Å; M433-I448 HydrophobicContact CE-CG1 4.09Å; M433-I448 HydrophobicContact CE-CG2 3.74Å; M433-I448 HydrophobicContact SD-CG1 4.48Å; F444-I448 HydrophobicContact CD1-CG1 4.06Å; F444-I448 HydrophobicContact CE1-CD1 4.26Å; F444-I448 HydrophobicContact CE1-CG1 3.61Å; F444-I448 HydrophobicContact CE2-CD1 4.47Å; F444-I448 HydrophobicContact CE2-CG1 4.47Å; F444-I448 HydrophobicContact CZ-CD1 3.97Å; F444-I448 HydrophobicContact CZ-CG1 3.84Å; F444-I448 WeakPolarHBondContact O-CG1 3.41Å; F444-I448 PolarHBondContact O-N 3.18Å; E445-I448 PolarHBondContact O-N 2.96Å; I448-N450 VanDerWaalsContact C-N 3.32Å; I448-N450 PolarHBondContact O-N 3.29Å; I448-R451 PolarHBondContact O-N 3.41Å; I448-R451 VanDerWaalsContact O-N 3.15Å; I448-E452 HydrophobicContact CG2-CB 4.24Å; I448-E452 HydrophobicContact CG2-CG 3.9Å; I448-E452 WeakPolarHBondContact O-CB 3.46Å; I448-E452 PolarHBondContact O-N 3.42Å; I448-F458 HydrophobicContact CG2-CD1 3.94Å; I448-F458 HydrophobicContact CG2-CE1 4.01Å; I448-F458 HydrophobicContact CG2-CG 4.46Å; I448-L461 HydrophobicContact CG2-CD1 4.01Å
449	M	89.4	Confident	91	Very high	44 Å²	44	87.6 Å²	87.6	22%	0.217	44%	0.439	C	S	.	.	H	α-helix	trans	-58.3	-42.1	175.8	-73.4	-174.7	77.7	0	0	112.3	E445 A446 L461 F462	E445-M449 HydrophobicContact CG-CG 4.48Å; E445-M449 HydrophobicContact CG-SD 4.2Å; E445-M449 WeakPolarHBondContact O-CG 3.15Å; E445-M449 PolarHBondContact O-N 3.33Å; A446-M449 PolarHBondContact O-N 3.39Å; M449-L461 HydrophobicContact CE-CB 4.35Å; M449-L461 WeakPolarHBondContact CE-O 3.1Å; M449-L461 HydrophobicContact CG-CB 3.88Å; M449-L461 HydrophobicContact CG-CD1 3.91Å; M449-L461 HydrophobicContact CG-CG 4.43Å; M449-L461 HydrophobicContact SD-CB 4.32Å; M449-F462 HydrophobicContact CB-CE1 3.82Å; M449-F462 HydrophobicContact CB-CZ 4.11Å; M449-F462 HydrophobicContact CE-CD1 3.57Å; M449-F462 HydrophobicContact CE-CE1 3.82Å; M449-F462 HydrophobicContact CE-CG 4.29Å; M449-F462 HydrophobicContact CG-CE1 4.1Å; M449-F462 HydrophobicContact CG-CZ 4.29Å; M449-F462 WeakPolarHBondContact O-CE1 3.44Å; M449-F462 VanDerWaalsContact O-CZ 3.23Å; M449-F462 WeakPolarHBondContact O-CZ 3.33Å
450	N	90.6	Very high	90.9	Very high	134 Å²	134	81.2 Å²	81.2	72%	0.717	41%	0.414	S	S	*	.	H	α-helix	trans	-71.3	-31.5	176.9	-70.5	-20	0	0	0	113.1	A446 I448	A446-N450 PolarHBondContact O-N 2.82Å; A446-N450 PolarHBondContact O-ND2 3.43Å; I448-N450 VanDerWaalsContact C-N 3.32Å; I448-N450 PolarHBondContact O-N 3.29Å
451	R	93.1	Very high	90.8	Very high	186 Å²	186	76.4 Å²	76.4	70%	0.702	39%	0.392	S	S	*	.	H	α-helix	trans	-80.9	-42.8	-176.7	178.7	-173.5	165.7	127.3	7.3	113.2	M447 I448	M447-R451 VanDerWaalsContact O-CB 3.29Å; M447-R451 WeakPolarHBondContact O-CB 3.46Å; M447-R451 PolarHBondContact O-N 3.13Å; M447-R451 VanDerWaalsContact O-N 3.13Å; I448-R451 PolarHBondContact O-N 3.41Å; I448-R451 VanDerWaalsContact O-N 3.15Å
452	E	92.3	Very high	90.7	Very high	39 Å²	39	78.7 Å²	78.7	18%	0.182	40%	0.396	C	S	.	.	S	Bend	trans	-107.5	20.3	-167.9	-57.6	-67.5	147.6	0	0	112.2	I448 N454 N455 F458	I448-E452 HydrophobicContact CG2-CB 4.24Å; I448-E452 HydrophobicContact CG2-CG 3.9Å; I448-E452 WeakPolarHBondContact O-CB 3.46Å; I448-E452 PolarHBondContact O-N 3.42Å; E452-N454 PolarHBondContact O-N 3.13Å; E452-N454 VanDerWaalsContact O-N 3.15Å; E452-N455 HydrophobicContact CB-CB 4.12Å; E452-N455 VanDerWaalsContact O-CB 3.3Å; E452-N455 WeakPolarHBondContact O-CB 3.02Å; E452-N455 PolarHBondContact O-N 3.45Å; E452-N455 PolarHBondContact OE2-ND2 3.4Å; E452-F458 HydrophobicContact CB-CB 4.03Å; E452-F458 HydrophobicContact CB-CD2 3.49Å; E452-F458 VanDerWaalsContact CB-CD2 3.49Å; E452-F458 HydrophobicContact CB-CE2 4.09Å; E452-F458 HydrophobicContact CB-CG 3.83Å; E452-F458 HydrophobicContact CG-CD2 3.73Å; E452-F458 HydrophobicContact CG-CE2 3.76Å; E452-F458 HydrophobicContact CG-CG 4.29Å; E452-F458 HydrophobicContact CG-CZ 4.38Å
453	I	89.1	Confident	90.4	Very high	106 Å²	106	76.9 Å²	76.9	54%	0.544	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.2	-177.4	-167.8	167.9	0	0	0	114.5	F462	I453-F462 HydrophobicContact CB-CE1 4.27Å; I453-F462 HydrophobicContact CB-CZ 4.13Å; I453-F462 HydrophobicContact CG1-CE1 4.03Å; I453-F462 HydrophobicContact CG1-CZ 4.27Å
454	N	90.8	Very high	90.1	Very high	158 Å²	158	73.2 Å²	73.2	85%	0.845	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	1.1	178.5	-63.8	-29.2	0	0	0	113.4	E452	E452-N454 PolarHBondContact O-N 3.13Å; E452-N454 VanDerWaalsContact O-N 3.15Å
455	N	89.2	Confident	89.5	Confident	49 Å²	49	75 Å²	75	26%	0.262	37%	0.371	S	S	.	.			trans	-97.3	115.2	-173.1	-173.7	-16.9	0	0	0	110.8	E452 M457 F458	E452-N455 HydrophobicContact CB-CB 4.12Å; E452-N455 VanDerWaalsContact O-CB 3.3Å; E452-N455 WeakPolarHBondContact O-CB 3.02Å; E452-N455 PolarHBondContact O-N 3.45Å; E452-N455 PolarHBondContact OE2-ND2 3.4Å; N455-M457 PolarHBondContact O-N 3.43Å; N455-M457 VanDerWaalsContact O-N 3.11Å; N455-M457 WeakPolarHBondContact OD1-CB 3.48Å; N455-M457 PolarHBondContact OD1-N 2.68Å; N455-M457 VanDerWaalsContact OD1-N 3.1Å; N455-F458 HydrophobicContact CB-CD2 4.06Å; N455-F458 PolarHBondContact O-N 2.89Å
456	P	87.6	Confident	89.2	Confident	100 Å²	100	75.4 Å²	75.4	65%	0.649	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-61.4	-24.5	-177	25.4	-34.6	0	0	0	113.3	F458 R459	P456-F458 PolarHBondContact O-N 3.01Å; P456-R459 WeakPolarHBondContact O-CB 3.42Å; P456-R459 PolarHBondContact O-N 2.92Å
457	M	85.3	Confident	89.1	Confident	92 Å²	92	75.7 Å²	75.7	45%	0.453	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-65	-26.8	176.7	-60.2	-63.8	-69.2	0	0	112.8	L429 N455 F460	L429-M457 HydrophobicContact CD2-CB 3.82Å; L429-M457 HydrophobicContact CD2-CE 4.39Å; L429-M457 VanDerWaalsContact CD2-O 3.29Å; L429-M457 WeakPolarHBondContact CD2-O 3.29Å; N455-M457 PolarHBondContact O-N 3.43Å; N455-M457 VanDerWaalsContact O-N 3.11Å; N455-M457 WeakPolarHBondContact OD1-CB 3.48Å; N455-M457 PolarHBondContact OD1-N 2.68Å; N455-M457 VanDerWaalsContact OD1-N 3.1Å; M457-F460 WeakPolarHBondContact O-CD1 3.43Å
458	F	90.5	Very high	89.1	Confident	27 Å²	27	71.2 Å²	71.2	12%	0.118	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-101.2	6.1	178.9	-66.9	-79.3	0	0	0	113.4	L429 M433 I448 E452 N455 P456 F460 L461 F462	L429-F458 HydrophobicContact CD1-CE1 3.79Å; L429-F458 HydrophobicContact CD1-CZ 3.87Å; L429-F458 HydrophobicContact CD2-CD1 4.36Å; L429-F458 HydrophobicContact CD2-CE1 4.09Å; L429-F458 HydrophobicContact CD2-CZ 4.25Å; L429-F458 HydrophobicContact CG-CE1 4.16Å; M433-F458 HydrophobicContact CE-CD1 4.05Å; M433-F458 HydrophobicContact CE-CE1 3.57Å; I448-F458 HydrophobicContact CG2-CD1 3.94Å; I448-F458 HydrophobicContact CG2-CE1 4.01Å; I448-F458 HydrophobicContact CG2-CG 4.46Å; E452-F458 HydrophobicContact CB-CB 4.03Å; E452-F458 HydrophobicContact CB-CD2 3.49Å; E452-F458 VanDerWaalsContact CB-CD2 3.49Å; E452-F458 HydrophobicContact CB-CE2 4.09Å; E452-F458 HydrophobicContact CB-CG 3.83Å; E452-F458 HydrophobicContact CG-CD2 3.73Å; E452-F458 HydrophobicContact CG-CE2 3.76Å; E452-F458 HydrophobicContact CG-CG 4.29Å; E452-F458 HydrophobicContact CG-CZ 4.38Å; N455-F458 HydrophobicContact CB-CD2 4.06Å; N455-F458 PolarHBondContact O-N 2.89Å; P456-F458 PolarHBondContact O-N 3.01Å; F458-F460 HydrophobicContact CD1-CE1 4.2Å; F458-F460 PolarHBondContact O-N 2.83Å; F458-L461 HydrophobicContact CB-CD1 4.37Å; F458-L461 HydrophobicContact CD1-CD1 4.14Å; F458-L461 WeakPolarHBondContact O-CB 3.26Å; F458-L461 PolarHBondContact O-N 2.85Å; F458-F462 HydrophobicContact CB-CE2 4.39Å; F458-F462 WeakPolarHBondContact O-CD2 3.38Å; F458-F462 WeakPolarHBondContact O-CE2 3.32Å
459	R	89.9	Confident	89.1	Confident	141 Å²	141	70.7 Å²	70.7	53%	0.532	35%	0.351	S	S	.	.	H	α-helix	trans	-50.1	-33.2	178.5	-173.6	172.3	177.3	111.4	5.3	113.3	P456 L461 F462 E463	P456-R459 WeakPolarHBondContact O-CB 3.42Å; P456-R459 PolarHBondContact O-N 2.92Å; R459-L461 PolarHBondContact O-N 3.38Å; R459-L461 VanDerWaalsContact O-N 3.17Å; R459-F462 PolarHBondContact O-N 2.91Å; R459-F462 VanDerWaalsContact O-N 3.11Å; R459-E463 HydrophobicContact CG-CG 3.95Å; R459-E463 WeakPolarHBondContact CG-OE2 3.41Å; R459-E463 IonicContact CZ-OE1 2.69Å; R459-E463 IonicContact CZ-OE2 3.32Å; R459-E463 IonicContact NE-OE1 3.94Å; R459-E463 PolarHBondContact NE-OE1 3.31Å; R459-E463 IonicContact NE-OE2 3.12Å; R459-E463 PolarHBondContact NE-OE2 3.42Å; R459-E463 VanDerWaalsContact NH2-CD 3.34Å; R459-E463 IonicContact NH2-OE1 2.64Å; R459-E463 PolarHBondContact NH2-OE1 2.96Å; R459-E463 IonicContact NH2-OE2 3.26Å; R459-E463 PolarHBondContact NH2-OE2 3.12Å; R459-E463 PolarHBondContact O-N 2.93Å; R459-E463 VanDerWaalsContact O-N 3.1Å
460	F	92.3	Very high	89.2	Confident	6 Å²	6	68.9 Å²	68.9	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-19.6	175.6	78.4	-92.3	0	0	0	114.7	L426 L429 I430 M433 M457 F458 A468 H469 Y472	L426-F460 HydrophobicContact CD1-CD1 3.73Å; L426-F460 HydrophobicContact CD1-CE1 4.35Å; L426-F460 HydrophobicContact CD1-CG 4.41Å; L429-F460 HydrophobicContact CD2-CE1 4.31Å; L429-F460 HydrophobicContact CG-CE1 4.34Å; I430-F460 HydrophobicContact CD1-CD2 4.33Å; I430-F460 HydrophobicContact CD1-CG 4.28Å; I430-F460 HydrophobicContact CG1-CD1 4.06Å; I430-F460 HydrophobicContact CG1-CD2 3.85Å; I430-F460 HydrophobicContact CG1-CE1 3.93Å; I430-F460 HydrophobicContact CG1-CE2 3.73Å; I430-F460 HydrophobicContact CG1-CG 4.03Å; I430-F460 HydrophobicContact CG1-CZ 3.77Å; M433-F460 HydrophobicContact CB-CZ 4.2Å; M433-F460 HydrophobicContact CG-CE2 4.49Å; M433-F460 HydrophobicContact CG-CZ 4.22Å; M457-F460 WeakPolarHBondContact O-CD1 3.43Å; F458-F460 HydrophobicContact CD1-CE1 4.2Å; F458-F460 PolarHBondContact O-N 2.83Å; F460-A468 HydrophobicContact CB-CB 3.62Å; F460-H469 WeakPolarHBondContact O-CA 3.49Å; F460-H469 VanDerWaalsContact O-CB 3.23Å; F460-H469 WeakPolarHBondContact O-CB 3.45Å; F460-H469 VanDerWaalsContact O-CG 3.31Å; F460-H469 PolarHBondContact O-ND1 3.16Å; F460-Y472 HydrophobicContact CD2-CD1 4.39Å; F460-Y472 HydrophobicContact CD2-CG 4.01Å; F460-Y472 HydrophobicContact CE2-CD1 4.26Å; F460-Y472 AromaticContact CE2-CD2 3.86Å; F460-Y472 HydrophobicContact CE2-CD2 3.86Å; F460-Y472 HydrophobicContact CE2-CE2 4.4Å; F460-Y472 AromaticContact CE2-CG 3.79Å; F460-Y472 HydrophobicContact CE2-CG 3.79Å
461	L	91.2	Very high	89.3	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-75.4	-31.7	175.4	-67.9	175.6	0	0	0	112.1	M433 E445 I448 M449 F458 R459 H469 Y472	M433-L461 HydrophobicContact CG-CD2 4.31Å; E445-L461 HydrophobicContact CG-CD2 4.36Å; I448-L461 HydrophobicContact CG2-CD1 4.01Å; M449-L461 HydrophobicContact CE-CB 4.35Å; M449-L461 WeakPolarHBondContact CE-O 3.1Å; M449-L461 HydrophobicContact CG-CB 3.88Å; M449-L461 HydrophobicContact CG-CD1 3.91Å; M449-L461 HydrophobicContact CG-CG 4.43Å; M449-L461 HydrophobicContact SD-CB 4.32Å; F458-L461 HydrophobicContact CB-CD1 4.37Å; F458-L461 HydrophobicContact CD1-CD1 4.14Å; F458-L461 WeakPolarHBondContact O-CB 3.26Å; F458-L461 PolarHBondContact O-N 2.85Å; R459-L461 PolarHBondContact O-N 3.38Å; R459-L461 VanDerWaalsContact O-N 3.17Å; L461-H469 PolarHBondContact O-CE1 2.71Å; L461-H469 VanDerWaalsContact O-CE1 3.26Å; L461-H469 PolarHBondContact O-ND1 3.39Å; L461-Y472 HydrophobicContact CD2-CD1 4.09Å; L461-Y472 HydrophobicContact CD2-CE1 3.66Å; L461-Y472 HydrophobicContact CD2-CE2 4.47Å
462	F	89.3	Confident	89.4	Confident	67 Å²	67	53.9 Å²	53.9	29%	0.294	28%	0.275	S	S	.	.	H	α-helix	trans	-94.9	-39.4	-173	-48.5	-86.6	0	0	0	112.4	M449 I453 F458 R459 N464	M449-F462 HydrophobicContact CB-CE1 3.82Å; M449-F462 HydrophobicContact CB-CZ 4.11Å; M449-F462 HydrophobicContact CE-CD1 3.57Å; M449-F462 HydrophobicContact CE-CE1 3.82Å; M449-F462 HydrophobicContact CE-CG 4.29Å; M449-F462 HydrophobicContact CG-CE1 4.1Å; M449-F462 HydrophobicContact CG-CZ 4.29Å; M449-F462 WeakPolarHBondContact O-CE1 3.44Å; M449-F462 VanDerWaalsContact O-CZ 3.23Å; M449-F462 WeakPolarHBondContact O-CZ 3.33Å; I453-F462 HydrophobicContact CB-CE1 4.27Å; I453-F462 HydrophobicContact CB-CZ 4.13Å; I453-F462 HydrophobicContact CG1-CE1 4.03Å; I453-F462 HydrophobicContact CG1-CZ 4.27Å; F458-F462 HydrophobicContact CB-CE2 4.39Å; F458-F462 WeakPolarHBondContact O-CD2 3.38Å; F458-F462 WeakPolarHBondContact O-CE2 3.32Å; R459-F462 PolarHBondContact O-N 2.91Å; R459-F462 VanDerWaalsContact O-N 3.11Å; F462-N464 PolarHBondContact O-N 3.1Å; F462-N464 VanDerWaalsContact O-N 3.11Å
463	E	86	Confident	89.5	Confident	69 Å²	69	55 Å²	55	32%	0.322	28%	0.278	S	S	.	.			trans	-88.5	82.9	-172.1	-60.3	-162	142.1	0	0	112.7	R459 Q465 T466 H469	R459-E463 HydrophobicContact CG-CG 3.95Å; R459-E463 WeakPolarHBondContact CG-OE2 3.41Å; R459-E463 IonicContact CZ-OE1 2.69Å; R459-E463 IonicContact CZ-OE2 3.32Å; R459-E463 IonicContact NE-OE1 3.94Å; R459-E463 PolarHBondContact NE-OE1 3.31Å; R459-E463 IonicContact NE-OE2 3.12Å; R459-E463 PolarHBondContact NE-OE2 3.42Å; R459-E463 VanDerWaalsContact NH2-CD 3.34Å; R459-E463 IonicContact NH2-OE1 2.64Å; R459-E463 PolarHBondContact NH2-OE1 2.96Å; R459-E463 IonicContact NH2-OE2 3.26Å; R459-E463 PolarHBondContact NH2-OE2 3.12Å; R459-E463 PolarHBondContact O-N 2.93Å; R459-E463 VanDerWaalsContact O-N 3.1Å; E463-Q465 PolarHBondContact O-N 3.03Å; E463-T466 HydrophobicContact CB-CG2 3.53Å; E463-T466 WeakPolarHBondContact O-CB 3.37Å; E463-T466 PolarHBondContact O-N 2.89Å; E463-T466 PolarHBondContact O-OG1 3.07Å; E463-T466 WeakPolarHBondContact OE2-CG2 3.21Å; E463-H469 WeakPolarHBondContact O-CB 3.26Å
464	N	84	Confident	89.8	Confident	85 Å²	85	50 Å²	50	46%	0.455	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-25.9	-177.2	62	-6.5	0	0	0	116.3	F462	F462-N464 PolarHBondContact O-N 3.1Å; F462-N464 VanDerWaalsContact O-N 3.11Å
465	Q	79.8	Confident	89.9	Confident	72 Å²	72	42.6 Å²	42.6	34%	0.336	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.2	177.2	-59.1	-64.1	70	0	0	114.1	L380 E463	L380-Q465 PolarHBondContact O-NE2 3.47Å; L380-Q465 PolarHBondContact O-OE1 3.3Å; E463-Q465 PolarHBondContact O-N 3.03Å
466	T	87.8	Confident	90.1	Very high	33 Å²	33	41.1 Å²	41.1	20%	0.202	20%	0.204	C	C	.	.	S	Bend	trans	-73.9	144.6	-177.6	59.1	0	0	0	0	111.9	E463 A468 H469 V470	E463-T466 HydrophobicContact CB-CG2 3.53Å; E463-T466 WeakPolarHBondContact O-CB 3.37Å; E463-T466 PolarHBondContact O-N 2.89Å; E463-T466 PolarHBondContact O-OG1 3.07Å; E463-T466 WeakPolarHBondContact OE2-CG2 3.21Å; T466-A468 PolarHBondContact O-N 3.39Å; T466-A468 VanDerWaalsContact O-N 3.16Å; T466-H469 PolarHBondContact O-N 3.21Å; T466-H469 WeakPolarHBondContact OG1-CB 3.42Å; T466-H469 PolarHBondContact OG1-N 2.69Å; T466-V470 WeakPolarHBondContact O-CG2 3.37Å; T466-V470 PolarHBondContact O-N 3.13Å
467	P	88.8	Confident	90.4	Very high	53 Å²	53	39.4 Å²	39.4	34%	0.344	19%	0.185	S	C	.	.	H	α-helix	trans	-56	-32.8	173.3	-25.5	35.1	0	0	0	112.7	P374 V470 Y471	P374-P467 HydrophobicContact CB-CB 4.13Å; P374-P467 HydrophobicContact CB-CG 3.47Å; P374-P467 VanDerWaalsContact CB-CG 3.47Å; P374-P467 HydrophobicContact CG-CG 3.88Å; P467-V470 PolarHBondContact O-N 2.81Å; P467-Y471 WeakPolarHBondContact O-CB 3.46Å; P467-Y471 PolarHBondContact O-N 2.77Å
468	A	91.1	Very high	90.8	Very high	13 Å²	13	35.1 Å²	35.1	11%	0.107	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-41.7	174.9	0	0	0	0	0	113.1	L426 I430 F460 T466 Y472	L426-A468 HydrophobicContact CD2-CB 3.97Å; I430-A468 HydrophobicContact CD1-CB 4.16Å; F460-A468 HydrophobicContact CB-CB 3.62Å; T466-A468 PolarHBondContact O-N 3.39Å; T466-A468 VanDerWaalsContact O-N 3.16Å; A468-Y472 WeakPolarHBondContact O-CB 3.4Å; A468-Y472 PolarHBondContact O-N 3.07Å
469	H	92.4	Very high	90.9	Very high	9 Å²	9	36 Å²	36	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-67.1	-43.9	173.6	-169.2	99.7	0	0	0	111.9	F382 F460 L461 E463 T466 Y471 Y472 R473	F382-H469 AromaticContact CE1-CD2 3.88Å; F382-H469 AromaticContact CE1-NE2 3.97Å; F460-H469 WeakPolarHBondContact O-CA 3.49Å; F460-H469 VanDerWaalsContact O-CB 3.23Å; F460-H469 WeakPolarHBondContact O-CB 3.45Å; F460-H469 VanDerWaalsContact O-CG 3.31Å; F460-H469 PolarHBondContact O-ND1 3.16Å; L461-H469 PolarHBondContact O-CE1 2.71Å; L461-H469 VanDerWaalsContact O-CE1 3.26Å; L461-H469 PolarHBondContact O-ND1 3.39Å; E463-H469 WeakPolarHBondContact O-CB 3.26Å; T466-H469 PolarHBondContact O-N 3.21Å; T466-H469 WeakPolarHBondContact OG1-CB 3.42Å; T466-H469 PolarHBondContact OG1-N 2.69Å; H469-Y471 VanDerWaalsContact C-N 3.32Å; H469-Y471 PolarHBondContact O-N 3.06Å; H469-Y472 PolarHBondContact O-N 3.37Å; H469-R473 VanDerWaalsContact CD2-CG 3.48Å; H469-R473 WeakPolarHBondContact CD2-CG 3.3Å; H469-R473 PolarHBondContact CE1-NE 2.7Å; H469-R473 WeakPolarHBondContact NE2-CG 3.31Å; H469-R473 PolarHBondContact NE2-NE 3.28Å; H469-R473 WeakPolarHBondContact O-CG 3.43Å; H469-R473 PolarHBondContact O-N 2.97Å
470	V	92.6	Very high	91	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.036	17%	0.172	C	C	.	.	H	α-helix	trans	-57.7	-47.1	176.7	172.8	0	0	0	0	110.1	F382 V416 V418 T466 P467 W474 W502	F382-V470 HydrophobicContact CB-CG2 4.05Å; F382-V470 HydrophobicContact CD1-CG2 4.41Å; V416-V470 HydrophobicContact CG1-CG1 3.49Å; V416-V470 VanDerWaalsContact CG1-CG1 3.49Å; V418-V470 HydrophobicContact CB-CG1 4.46Å; V418-V470 HydrophobicContact CG1-CG1 4.47Å; V418-V470 HydrophobicContact CG2-CG1 4.01Å; T466-V470 WeakPolarHBondContact O-CG2 3.37Å; T466-V470 PolarHBondContact O-N 3.13Å; P467-V470 PolarHBondContact O-N 2.81Å; V470-W474 VanDerWaalsContact O-CB 3.31Å; V470-W474 WeakPolarHBondContact O-CB 3.24Å; V470-W474 PolarHBondContact O-N 2.85Å; V470-W502 HydrophobicContact CG1-CH2 4.46Å; V470-W502 HydrophobicContact CG1-CZ3 3.9Å
471	Y	93.1	Very high	90.9	Very high	4 Å²	4	39 Å²	39	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-43.8	174.8	-176.6	-96.4	0	0	0	112.9	V418 V419 I420 P421 L427 I430 H431 P467 H469 W474 K475	V418-Y471 HydrophobicContact CG1-CD2 4.11Å; V419-Y471 WeakPolarHBondContact O-CD2 3.33Å; I420-Y471 HydrophobicContact CB-CD2 4.5Å; I420-Y471 HydrophobicContact CB-CE2 4.17Å; I420-Y471 HydrophobicContact CG1-CD2 4.44Å; I420-Y471 HydrophobicContact CG1-CE2 3.94Å; I420-Y471 HydrophobicContact CG2-CE2 3.99Å; P421-Y471 HydrophobicContact CG-CD1 4.01Å; P421-Y471 HydrophobicContact CG-CG 4.06Å; L427-Y471 HydrophobicContact CD1-CD1 4.24Å; L427-Y471 HydrophobicContact CD1-CE1 3.47Å; L427-Y471 VanDerWaalsContact CD1-CE1 3.47Å; I430-Y471 HydrophobicContact CG2-CD1 3.95Å; I430-Y471 HydrophobicContact CG2-CE1 4.12Å; H431-Y471 AromaticContact NE2-CE1 3.66Å; H431-Y471 AromaticContact NE2-CZ 3.74Å; H431-Y471 PolarHBondContact NE2-OH 3.34Å; P467-Y471 WeakPolarHBondContact O-CB 3.46Å; P467-Y471 PolarHBondContact O-N 2.77Å; H469-Y471 VanDerWaalsContact C-N 3.32Å; H469-Y471 PolarHBondContact O-N 3.06Å; Y471-W474 AromaticContact CD2-CE3 3.94Å; Y471-W474 HydrophobicContact CD2-CE3 3.94Å; Y471-W474 HydrophobicContact CD2-CZ3 4.09Å; Y471-W474 AromaticContact CE2-CE3 3.92Å; Y471-W474 HydrophobicContact CE2-CE3 3.92Å; Y471-W474 AromaticContact CE2-CZ3 3.59Å; Y471-W474 HydrophobicContact CE2-CZ3 3.59Å; Y471-W474 PolarHBondContact O-N 2.95Å; Y471-K475 HydrophobicContact CE1-CB 4.22Å; Y471-K475 HydrophobicContact CE1-CG 4.41Å; Y471-K475 VanDerWaalsContact O-CB 3.24Å; Y471-K475 WeakPolarHBondContact O-CB 3.34Å; Y471-K475 PolarHBondContact O-N 3.34Å
472	Y	94.8	Very high	90.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57	-52.7	176.1	169	-113.7	0	0	0	111.8	I430 M433 I434 E445 F460 L461 A468 H469 K475 L476	I430-Y472 HydrophobicContact CG2-CD2 4.12Å; M433-Y472 HydrophobicContact CB-CE2 4.35Å; M433-Y472 HydrophobicContact CG-CE2 3.77Å; I434-Y472 HydrophobicContact CD1-CD2 3.96Å; I434-Y472 HydrophobicContact CD1-CE2 4.42Å; I434-Y472 HydrophobicContact CG1-CD2 3.58Å; I434-Y472 HydrophobicContact CG1-CE2 3.54Å; E445-Y472 WeakPolarHBondContact OE2-CE1 3.43Å; E445-Y472 PolarHBondContact OE2-OH 3.24Å; F460-Y472 HydrophobicContact CD2-CD1 4.39Å; F460-Y472 HydrophobicContact CD2-CG 4.01Å; F460-Y472 HydrophobicContact CE2-CD1 4.26Å; F460-Y472 AromaticContact CE2-CD2 3.86Å; F460-Y472 HydrophobicContact CE2-CD2 3.86Å; F460-Y472 HydrophobicContact CE2-CE2 4.4Å; F460-Y472 AromaticContact CE2-CG 3.79Å; F460-Y472 HydrophobicContact CE2-CG 3.79Å; L461-Y472 HydrophobicContact CD2-CD1 4.09Å; L461-Y472 HydrophobicContact CD2-CE1 3.66Å; L461-Y472 HydrophobicContact CD2-CE2 4.47Å; A468-Y472 WeakPolarHBondContact O-CB 3.4Å; A468-Y472 PolarHBondContact O-N 3.07Å; H469-Y472 PolarHBondContact O-N 3.37Å; Y472-K475 PolarHBondContact O-N 3.49Å; Y472-L476 VanDerWaalsContact O-CB 3.26Å; Y472-L476 WeakPolarHBondContact O-CB 3.37Å; Y472-L476 PolarHBondContact O-N 3.47Å
473	R	94.4	Very high	90.8	Very high	62 Å²	62	40.1 Å²	40.1	23%	0.234	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-44.7	-180	-67.5	-64.3	179.8	-156.4	-3.3	112	F382 E445 H469 Y477 W502	F382-R473 HydrophobicContact CE1-CG 4.44Å; E445-R473 IonicContact OE1-CZ 2.74Å; E445-R473 IonicContact OE1-NH1 2.72Å; E445-R473 PolarHBondContact OE1-NH1 3.27Å; E445-R473 IonicContact OE1-NH2 2.72Å; E445-R473 PolarHBondContact OE1-NH2 3.11Å; E445-R473 IonicContact OE2-CZ 2.81Å; E445-R473 IonicContact OE2-NH1 3.6Å; E445-R473 PolarHBondContact OE2-NH1 3.17Å; H469-R473 VanDerWaalsContact CD2-CG 3.48Å; H469-R473 WeakPolarHBondContact CD2-CG 3.3Å; H469-R473 PolarHBondContact CE1-NE 2.7Å; H469-R473 WeakPolarHBondContact NE2-CG 3.31Å; H469-R473 PolarHBondContact NE2-NE 3.28Å; H469-R473 WeakPolarHBondContact O-CG 3.43Å; H469-R473 PolarHBondContact O-N 2.97Å; R473-Y477 WeakPolarHBondContact O-CB 3.29Å; R473-Y477 PolarHBondContact O-N 2.82Å; R473-W502 HydrophobicContact CB-CH2 4.18Å
474	W	94.2	Very high	90.9	Very high	3 Å²	3	39 Å²	39	1%	0.011	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-47.2	175.8	168.4	79.1	0	0	0	112.3	V418 V470 Y471 Y477 S478 W488 F493 W502 P504 P505	V418-W474 HydrophobicContact CB-CB 4.48Å; V418-W474 HydrophobicContact CB-CD2 4.5Å; V418-W474 HydrophobicContact CB-CG 4.26Å; V418-W474 HydrophobicContact CG1-CB 3.87Å; V418-W474 HydrophobicContact CG1-CD2 3.81Å; V418-W474 HydrophobicContact CG1-CE3 3.78Å; V418-W474 HydrophobicContact CG1-CG 3.8Å; V418-W474 HydrophobicContact CG2-CB 3.81Å; V418-W474 HydrophobicContact CG2-CD2 4.49Å; V418-W474 HydrophobicContact CG2-CG 3.78Å; V470-W474 VanDerWaalsContact O-CB 3.31Å; V470-W474 WeakPolarHBondContact O-CB 3.24Å; V470-W474 PolarHBondContact O-N 2.85Å; Y471-W474 AromaticContact CD2-CE3 3.94Å; Y471-W474 HydrophobicContact CD2-CE3 3.94Å; Y471-W474 HydrophobicContact CD2-CZ3 4.09Å; Y471-W474 AromaticContact CE2-CE3 3.92Å; Y471-W474 HydrophobicContact CE2-CE3 3.92Å; Y471-W474 AromaticContact CE2-CZ3 3.59Å; Y471-W474 HydrophobicContact CE2-CZ3 3.59Å; Y471-W474 PolarHBondContact O-N 2.95Å; W474-Y477 PolarHBondContact O-N 3.36Å; W474-S478 WeakPolarHBondContact O-CB 3.41Å; W474-S478 PolarHBondContact O-N 2.79Å; W474-W488 HydrophobicContact CH2-CB 4.4Å; W474-W488 AromaticContact CH2-CD1 3.68Å; W474-W488 AromaticContact CH2-CD2 3.68Å; W474-W488 HydrophobicContact CH2-CD2 3.68Å; W474-W488 AromaticContact CH2-CE2 3.65Å; W474-W488 HydrophobicContact CH2-CE3 4.36Å; W474-W488 AromaticContact CH2-CG 3.69Å; W474-W488 HydrophobicContact CH2-CG 3.69Å; W474-W488 HydrophobicContact CH2-CZ2 4.28Å; W474-W488 AromaticContact CH2-NE1 3.64Å; W474-W488 HydrophobicContact CZ2-CB 4.19Å; W474-W488 AromaticContact CZ2-CD1 3.45Å; W474-W488 VanDerWaalsContact CZ2-CD1 3.45Å; W474-W488 HydrophobicContact CZ2-CD2 4.21Å; W474-W488 AromaticContact CZ2-CG 3.71Å; W474-W488 HydrophobicContact CZ2-CG 3.71Å; W474-W488 AromaticContact CZ2-NE1 3.77Å; W474-F493 AromaticContact CD1-CE1 3.72Å; W474-F493 AromaticContact CD1-CZ 3.79Å; W474-F493 AromaticContact NE1-CE1 3.84Å; W474-W502 HydrophobicContact CB-CE3 3.97Å; W474-W502 HydrophobicContact CB-CZ3 3.91Å; W474-P504 HydrophobicContact CZ2-CB 3.98Å; W474-P505 HydrophobicContact CE3-CG 4.32Å; W474-P505 HydrophobicContact CH2-CG 3.7Å; W474-P505 HydrophobicContact CZ2-CG 4.2Å; W474-P505 HydrophobicContact CZ3-CG 3.75Å
475	K	94	Very high	90.8	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-73.1	-34.5	-174.3	-171.8	52.6	167.8	179.2	0	112.2	I434 Y471 Y472 I479 S484 P485 W488	I434-K475 HydrophobicContact CD1-CB 3.7Å; I434-K475 HydrophobicContact CD1-CG 3.78Å; Y471-K475 HydrophobicContact CE1-CB 4.22Å; Y471-K475 HydrophobicContact CE1-CG 4.41Å; Y471-K475 VanDerWaalsContact O-CB 3.24Å; Y471-K475 WeakPolarHBondContact O-CB 3.34Å; Y471-K475 PolarHBondContact O-N 3.34Å; Y472-K475 PolarHBondContact O-N 3.49Å; K475-I479 HydrophobicContact CD-CD1 4.19Å; K475-I479 HydrophobicContact CD-CG1 4.44Å; K475-I479 HydrophobicContact CG-CD1 4.23Å; K475-I479 PolarHBondContact O-N 2.89Å; K475-I479 VanDerWaalsContact O-N 3.09Å; K475-S484 PolarHBondContact NZ-O 2.93Å; K475-P485 VanDerWaalsContact CE-O 3.3Å; K475-P485 WeakPolarHBondContact CE-O 3.5Å; K475-P485 PolarHBondContact NZ-O 3.47Å; K475-W488 VanDerWaalsContact NZ-CE3 3.34Å
476	L	94.3	Very high	90.7	Very high	18 Å²	18	41.4 Å²	41.4	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-49.9	167.8	177.9	59.6	0	0	0	110.8	I434 V437 V438 Y472 I479 L480	I434-L476 HydrophobicContact CG1-CB 4.23Å; I434-L476 HydrophobicContact CG2-CB 4.39Å; I434-L476 HydrophobicContact CG2-CD1 3.98Å; V437-L476 HydrophobicContact CB-CD1 4.46Å; V437-L476 HydrophobicContact CG1-CD1 4Å; V437-L476 HydrophobicContact CG1-CD2 4.06Å; V438-L476 HydrophobicContact CG2-CD1 3.65Å; Y472-L476 VanDerWaalsContact O-CB 3.26Å; Y472-L476 WeakPolarHBondContact O-CB 3.37Å; Y472-L476 PolarHBondContact O-N 3.47Å; L476-I479 PolarHBondContact O-N 3.45Å; L476-L480 HydrophobicContact CD1-CD1 3.95Å; L476-L480 HydrophobicContact CD1-CG 4.31Å; L476-L480 HydrophobicContact CG-CD1 3.99Å; L476-L480 WeakPolarHBondContact O-CB 3.38Å; L476-L480 VanDerWaalsContact O-CG 3.28Å; L476-L480 WeakPolarHBondContact O-CG 3.06Å; L476-L480 PolarHBondContact O-N 3.03Å
477	Y	93.4	Very high	90.5	Very high	63 Å²	63	47 Å²	47	25%	0.247	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-47.1	177.4	178	-89.2	0	0	0	112.4	R473 W474 I479 L480 Q481 F493 M495	R473-Y477 WeakPolarHBondContact O-CB 3.29Å; R473-Y477 PolarHBondContact O-N 2.82Å; W474-Y477 PolarHBondContact O-N 3.36Å; Y477-I479 PolarHBondContact O-N 3.06Å; Y477-L480 CarbonylContact O-C 3.54Å; Y477-L480 PolarHBondContact O-N 2.65Å; Y477-L480 VanDerWaalsContact O-N 3.13Å; Y477-Q481 HydrophobicContact CD1-CG 3.96Å; Y477-Q481 HydrophobicContact CE1-CG 3.48Å; Y477-Q481 VanDerWaalsContact CE1-CG 3.48Å; Y477-Q481 HydrophobicContact CE2-CG 4.29Å; Y477-Q481 WeakPolarHBondContact O-CG 3.45Å; Y477-Q481 PolarHBondContact O-N 3.05Å; Y477-F493 HydrophobicContact CD1-CD2 4.43Å; Y477-F493 AromaticContact CD1-CE2 3.49Å; Y477-F493 HydrophobicContact CD1-CE2 3.49Å; Y477-F493 VanDerWaalsContact CD1-CE2 3.49Å; Y477-F493 AromaticContact CD1-CZ 3.72Å; Y477-F493 HydrophobicContact CD1-CZ 3.72Å; Y477-F493 AromaticContact CE1-CD2 3.68Å; Y477-F493 HydrophobicContact CE1-CD2 3.68Å; Y477-F493 AromaticContact CE1-CE2 3.15Å; Y477-F493 HydrophobicContact CE1-CE2 3.15Å; Y477-F493 AromaticContact CE1-CZ 3.81Å; Y477-F493 HydrophobicContact CE1-CZ 3.81Å; Y477-F493 HydrophobicContact CG-CE2 4.38Å; Y477-F493 AromaticContact CZ-CE2 3.81Å; Y477-M495 HydrophobicContact CD2-CE 4.47Å; Y477-M495 HydrophobicContact CD2-CG 3.73Å; Y477-M495 HydrophobicContact CD2-SD 4.39Å; Y477-M495 HydrophobicContact CE2-CG 3.97Å; Y477-M495 HydrophobicContact CG-CE 4.04Å; Y477-M495 HydrophobicContact CG-CG 4.21Å
478	S	93.6	Very high	90.5	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-55.9	-48.4	178.6	170.9	0	0	0	0	111.5	W474 L480 Q481 G482 D483 W488	W474-S478 WeakPolarHBondContact O-CB 3.41Å; W474-S478 PolarHBondContact O-N 2.79Å; S478-L480 PolarHBondContact O-N 3.32Å; S478-Q481 PolarHBondContact O-N 2.85Å; S478-Q481 VanDerWaalsContact O-N 3.13Å; S478-G482 PolarHBondContact O-N 3.47Å; S478-D483 VanDerWaalsContact O-CB 3.31Å; S478-D483 WeakPolarHBondContact O-CB 3.2Å; S478-D483 PolarHBondContact O-N 2.96Å; S478-D483 VanDerWaalsContact O-N 3.12Å; S478-D483 VanDerWaalsContact OG-CB 3.22Å; S478-D483 WeakPolarHBondContact OG-CB 3.2Å; S478-D483 PolarHBondContact OG-OD2 3.48Å; S478-W488 WeakPolarHBondContact OG-CB 3.41Å
479	I	93.3	Very high	90.3	Very high	46 Å²	46	52.7 Å²	52.7	24%	0.236	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-37.8	176.9	-71.7	166.5	0	0	0	111.6	I434 V438 K475 L476 Y477 Q481 G482	I434-I479 HydrophobicContact CG2-CD1 3.81Å; V438-I479 HydrophobicContact CG1-CG2 4.42Å; V438-I479 HydrophobicContact CG2-CG2 4Å; K475-I479 HydrophobicContact CD-CD1 4.19Å; K475-I479 HydrophobicContact CD-CG1 4.44Å; K475-I479 HydrophobicContact CG-CD1 4.23Å; K475-I479 PolarHBondContact O-N 2.89Å; K475-I479 VanDerWaalsContact O-N 3.09Å; L476-I479 PolarHBondContact O-N 3.45Å; Y477-I479 PolarHBondContact O-N 3.06Å; I479-Q481 VanDerWaalsContact C-N 3.27Å; I479-Q481 PolarHBondContact O-N 3.24Å; I479-G482 PolarHBondContact O-N 3.25Å
480	L	91.9	Very high	90.1	Very high	108 Å²	108	56.2 Å²	56.2	57%	0.565	30%	0.298	S	S	*	.	H	α-helix	trans	-68.2	-21.7	174.3	-70	171.1	0	0	0	113.7	V438 L476 Y477 S478 G482	V438-L480 HydrophobicContact CG1-CD2 4.46Å; V438-L480 HydrophobicContact CG2-CD2 4.16Å; V438-L480 HydrophobicContact CG2-CG 4.38Å; L476-L480 HydrophobicContact CD1-CD1 3.95Å; L476-L480 HydrophobicContact CD1-CG 4.31Å; L476-L480 HydrophobicContact CG-CD1 3.99Å; L476-L480 WeakPolarHBondContact O-CB 3.38Å; L476-L480 VanDerWaalsContact O-CG 3.28Å; L476-L480 WeakPolarHBondContact O-CG 3.06Å; L476-L480 PolarHBondContact O-N 3.03Å; Y477-L480 CarbonylContact O-C 3.54Å; Y477-L480 PolarHBondContact O-N 2.65Å; Y477-L480 VanDerWaalsContact O-N 3.13Å; S478-L480 PolarHBondContact O-N 3.32Å; L480-G482 VanDerWaalsContact C-N 3.27Å
481	Q	89.5	Confident	89.8	Confident	102 Å²	102	63.3 Å²	63.3	48%	0.477	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	3.4	169.1	-62.7	-53.9	-52	0	0	113.5	Y477 S478 I479	Y477-Q481 HydrophobicContact CD1-CG 3.96Å; Y477-Q481 HydrophobicContact CE1-CG 3.48Å; Y477-Q481 VanDerWaalsContact CE1-CG 3.48Å; Y477-Q481 HydrophobicContact CE2-CG 4.29Å; Y477-Q481 WeakPolarHBondContact O-CG 3.45Å; Y477-Q481 PolarHBondContact O-N 3.05Å; S478-Q481 PolarHBondContact O-N 2.85Å; S478-Q481 VanDerWaalsContact O-N 3.13Å; I479-Q481 VanDerWaalsContact C-N 3.27Å; I479-Q481 PolarHBondContact O-N 3.24Å
482	G	87.8	Confident	89.7	Confident	67 Å²	67	66.2 Å²	66.2	69%	0.691	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	12.7	178.9	0	0	0	0	0	115.2	S478 I479 L480	S478-G482 PolarHBondContact O-N 3.47Å; I479-G482 PolarHBondContact O-N 3.25Å; L480-G482 VanDerWaalsContact C-N 3.27Å
483	D	91.1	Very high	89.6	Confident	25 Å²	25	68.3 Å²	68.3	13%	0.134	36%	0.356	C	S	.	.			trans	-70.5	156.5	167.2	-66.9	-8.8	0	0	0	110.3	S478 W488 R489	S478-D483 VanDerWaalsContact O-CB 3.31Å; S478-D483 WeakPolarHBondContact O-CB 3.2Å; S478-D483 PolarHBondContact O-N 2.96Å; S478-D483 VanDerWaalsContact O-N 3.12Å; S478-D483 VanDerWaalsContact OG-CB 3.22Å; S478-D483 WeakPolarHBondContact OG-CB 3.2Å; S478-D483 PolarHBondContact OG-OD2 3.48Å; D483-W488 HydrophobicContact CB-CB 4.03Å; D483-W488 WeakPolarHBondContact OD2-CA 2.99Å; D483-W488 WeakPolarHBondContact OD2-CB 3.41Å; D483-R489 IonicContact OD1-NE 3.21Å; D483-R489 PolarHBondContact OD1-NE 3.3Å; D483-R489 PolarHBondContact OD2-N 2.85Å; D483-R489 VanDerWaalsContact OD2-N 3.09Å
484	S	86.9	Confident	89.4	Confident	45 Å²	45	69.8 Å²	69.8	32%	0.315	36%	0.361	S	S	.	.			trans	-87.3	165.5	-178.9	95.8	0	0	0	0	112.6	K475 T486 K487	K475-S484 PolarHBondContact NZ-O 2.93Å; S484-T486 PolarHBondContact O-N 2.56Å; S484-T486 PolarHBondContact OG-N 3.25Å; S484-K487 PolarHBondContact N-O 3.23Å; S484-K487 PolarHBondContact OG-N 2.86Å; S484-K487 PolarHBondContact OG-O 3.4Å
485	P	81.9	Confident	89.1	Confident	92 Å²	92	71.1 Å²	71.1	60%	0.597	37%	0.368	S	S	*	.	S	Bend	trans	-54	-36.2	173.5	-27.7	36.5	0	0	0	113.1	K475	K475-P485 VanDerWaalsContact CE-O 3.3Å; K475-P485 WeakPolarHBondContact CE-O 3.5Å; K475-P485 PolarHBondContact NZ-O 3.47Å
486	T	78.8	Confident	88.7	Confident	116 Å²	116	76.5 Å²	76.5	71%	0.712	39%	0.392	S	S	*	.	S	Bend	trans	-109	-9.1	-174.3	53.2	0	0	0	0	115.2	S484	S484-T486 PolarHBondContact O-N 2.56Å; S484-T486 PolarHBondContact OG-N 3.25Å
487	K	82.1	Confident	88.2	Confident	149 Å²	149	85 Å²	85	65%	0.648	43%	0.428	S	S	*	.			trans	-141.8	119.6	-177.9	-169.3	178.1	-175.1	174.3	0	110.9	S484 L507	S484-K487 PolarHBondContact N-O 3.23Å; S484-K487 PolarHBondContact OG-N 2.86Å; S484-K487 PolarHBondContact OG-O 3.4Å; K487-L507 HydrophobicContact CB-CD2 4.33Å; K487-L507 HydrophobicContact CG-CD2 3.67Å
488	W	89.6	Confident	87.7	Confident	30 Å²	30	87.7 Å²	87.7	11%	0.114	45%	0.446	C	S	.	.			trans	-133.8	178.7	-173.9	53.6	86.7	0	0	0	112.1	I420 W474 K475 S478 D483 P505 L507	I420-W488 HydrophobicContact CD1-CH2 4.49Å; I420-W488 HydrophobicContact CD1-CZ2 4.39Å; W474-W488 HydrophobicContact CH2-CB 4.4Å; W474-W488 AromaticContact CH2-CD1 3.68Å; W474-W488 AromaticContact CH2-CD2 3.68Å; W474-W488 HydrophobicContact CH2-CD2 3.68Å; W474-W488 AromaticContact CH2-CE2 3.65Å; W474-W488 HydrophobicContact CH2-CE3 4.36Å; W474-W488 AromaticContact CH2-CG 3.69Å; W474-W488 HydrophobicContact CH2-CG 3.69Å; W474-W488 HydrophobicContact CH2-CZ2 4.28Å; W474-W488 AromaticContact CH2-NE1 3.64Å; W474-W488 HydrophobicContact CZ2-CB 4.19Å; W474-W488 AromaticContact CZ2-CD1 3.45Å; W474-W488 VanDerWaalsContact CZ2-CD1 3.45Å; W474-W488 HydrophobicContact CZ2-CD2 4.21Å; W474-W488 AromaticContact CZ2-CG 3.71Å; W474-W488 HydrophobicContact CZ2-CG 3.71Å; W474-W488 AromaticContact CZ2-NE1 3.77Å; K475-W488 VanDerWaalsContact NZ-CE3 3.34Å; S478-W488 WeakPolarHBondContact OG-CB 3.41Å; D483-W488 HydrophobicContact CB-CB 4.03Å; D483-W488 WeakPolarHBondContact OD2-CA 2.99Å; D483-W488 WeakPolarHBondContact OD2-CB 3.41Å; W488-P505 HydrophobicContact CZ2-CG 4.08Å; W488-P505 PolarHBondContact NE1-O 3.48Å; W488-L507 HydrophobicContact CD2-CD1 4.18Å; W488-L507 HydrophobicContact CD2-CG 4.1Å; W488-L507 HydrophobicContact CG-CD1 4.06Å; W488-L507 HydrophobicContact CG-CG 4.41Å; W488-L507 HydrophobicContact CZ2-CG 4.3Å
489	R	87.4	Confident	87.3	Confident	157 Å²	157	88.1 Å²	88.1	59%	0.592	45%	0.451	S	S	*	.			trans	-84.3	142.3	174.2	-62.2	160.5	-166.4	-108.5	5.9	111.3	D483 P504	D483-R489 IonicContact OD1-NE 3.21Å; D483-R489 PolarHBondContact OD1-NE 3.3Å; D483-R489 PolarHBondContact OD2-N 2.85Å; D483-R489 VanDerWaalsContact OD2-N 3.09Å; R489-P504 WeakPolarHBondContact O-CB 3.49Å; R489-P504 WeakPolarHBondContact O-CG 3.39Å
490	T	86.8	Confident	87.2	Confident	83 Å²	83	86.2 Å²	86.2	51%	0.509	44%	0.442	S	S	.	.			trans	-105.7	-6.5	-179.6	44.6	0	0	0	0	114.8	L507	T490-L507 HydrophobicContact CG2-CD1 3.33Å
491	E	87.1	Confident	87.2	Confident	155 Å²	155	83.9 Å²	83.9	72%	0.724	43%	0.427	S	S	*	.	S	Bend	trans	-67.6	139.1	178.6	-66	167.3	-164.2	0	0	111.7	F493 P504	E491-F493 PolarHBondContact O-N 2.93Å; E491-P504 WeakPolarHBondContact O-CD 3.49Å
492	D	90.7	Very high	87.4	Confident	64 Å²	64	79.1 Å²	79.1	34%	0.342	41%	0.405	S	S	.	.			trans	-61.8	118.4	171.7	-80.4	-4.1	0	0	0	109.9	R503	D492-R503 WeakPolarHBondContact OD1-CA 3.44Å; D492-R503 WeakPolarHBondContact OD1-CB 3.41Å; D492-R503 VanDerWaalsContact OD1-CG 3.23Å; D492-R503 WeakPolarHBondContact OD1-CG 3.23Å; D492-R503 IonicContact OD1-CZ 2.81Å; D492-R503 IonicContact OD1-NE 3.4Å; D492-R503 PolarHBondContact OD1-NE 3.44Å; D492-R503 IonicContact OD1-NH2 2.71Å; D492-R503 IonicContact OD2-CZ 3.86Å; D492-R503 IonicContact OD2-NE 2.86Å; D492-R503 PolarHBondContact OD2-NE 3.36Å; D492-R503 IonicContact OD2-NH2 3.21Å; D492-R503 PolarHBondContact OD2-NH2 3.45Å
493	F	92.3	Very high	87.6	Confident	45 Å²	45	80.3 Å²	80.3	20%	0.197	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	175.1	-176.1	74.8	-82.1	0	0	0	111.9	W474 Y477 E491 M495 F501 W502 P504	W474-F493 AromaticContact CD1-CE1 3.72Å; W474-F493 AromaticContact CD1-CZ 3.79Å; W474-F493 AromaticContact NE1-CE1 3.84Å; Y477-F493 HydrophobicContact CD1-CD2 4.43Å; Y477-F493 AromaticContact CD1-CE2 3.49Å; Y477-F493 HydrophobicContact CD1-CE2 3.49Å; Y477-F493 VanDerWaalsContact CD1-CE2 3.49Å; Y477-F493 AromaticContact CD1-CZ 3.72Å; Y477-F493 HydrophobicContact CD1-CZ 3.72Å; Y477-F493 AromaticContact CE1-CD2 3.68Å; Y477-F493 HydrophobicContact CE1-CD2 3.68Å; Y477-F493 AromaticContact CE1-CE2 3.15Å; Y477-F493 HydrophobicContact CE1-CE2 3.15Å; Y477-F493 AromaticContact CE1-CZ 3.81Å; Y477-F493 HydrophobicContact CE1-CZ 3.81Å; Y477-F493 HydrophobicContact CG-CE2 4.38Å; Y477-F493 AromaticContact CZ-CE2 3.81Å; E491-F493 PolarHBondContact O-N 2.93Å; F493-M495 HydrophobicContact CE2-CB 4.06Å; F493-M495 HydrophobicContact CE2-CE 4.5Å; F493-M495 HydrophobicContact CZ-CE 4.4Å; F493-F501 CarbonylContact O-C 3.48Å; F493-F501 VanDerWaalsContact O-CA 3.29Å; F493-F501 WeakPolarHBondContact O-CA 3.17Å; F493-W502 HydrophobicContact CD1-CB 4.08Å; F493-W502 WeakPolarHBondContact CD1-O 3.49Å; F493-W502 HydrophobicContact CE1-CB 3.59Å; F493-W502 HydrophobicContact CE2-CB 4.12Å; F493-W502 HydrophobicContact CE2-CG 4.5Å; F493-W502 HydrophobicContact CZ-CB 3.62Å; F493-W502 HydrophobicContact CZ-CG 4.21Å; F493-W502 PolarHBondContact N-O 2.93Å; F493-W502 PolarHBondContact O-N 2.98Å; F493-P504 HydrophobicContact CD1-CG 4.17Å; F493-P504 HydrophobicContact CE1-CG 4.14Å
494	R	90.3	Very high	87.6	Confident	93 Å²	93	79.6 Å²	79.6	35%	0.351	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123	170.2	-67.1	-171.5	-172.6	-132.4	9	110.9	S412 G499 F501	S412-R494 PolarHBondContact O-NH1 3.38Å; S412-R494 PolarHBondContact O-NH2 3.12Å; R494-G499 PolarHBondContact NH1-O 3.21Å; R494-F501 HydrophobicContact CG-CD1 3.71Å; R494-F501 HydrophobicContact CG-CE1 3.96Å; R494-F501 HydrophobicContact CG-CG 4.24Å; R494-F501 VanDerWaalsContact NH2-CZ 3.25Å
495	M	88.1	Confident	87.5	Confident	31 Å²	31	77.7 Å²	77.7	15%	0.153	37%	0.372	C	S	.	.	S	Bend	trans	-74.9	-28.9	175.2	-166.9	-179.9	-62.6	0	0	112.4	Y477 F493 W502	Y477-M495 HydrophobicContact CD2-CE 4.47Å; Y477-M495 HydrophobicContact CD2-CG 3.73Å; Y477-M495 HydrophobicContact CD2-SD 4.39Å; Y477-M495 HydrophobicContact CE2-CG 3.97Å; Y477-M495 HydrophobicContact CG-CE 4.04Å; Y477-M495 HydrophobicContact CG-CG 4.21Å; F493-M495 HydrophobicContact CE2-CB 4.06Å; F493-M495 HydrophobicContact CE2-CE 4.5Å; F493-M495 HydrophobicContact CZ-CE 4.4Å; M495-W502 HydrophobicContact CB-CG 4.45Å; M495-W502 HydrophobicContact CE-CD2 3.81Å; M495-W502 HydrophobicContact CE-CE3 3.81Å; M495-W502 HydrophobicContact CE-CH2 3.98Å; M495-W502 HydrophobicContact CE-CZ2 3.97Å; M495-W502 HydrophobicContact CE-CZ3 3.89Å; M495-W502 HydrophobicContact SD-CZ2 4.25Å
496	F	86.5	Confident	87.4	Confident	115 Å²	115	76.3 Å²	76.3	50%	0.504	36%	0.363	S	S	.	.	S	Bend	trans	-132.1	147.5	-177	-53.2	-72.4	0	0	0	111.1	F382 N498 G499	F382-F496 HydrophobicContact CE2-CE2 4.39Å; F496-N498 PolarHBondContact O-N 3.29Å; F496-G499 PolarHBondContact O-N 3.06Å
497	K	83.9	Confident	86.9	Confident	196 Å²	196	73.5 Å²	73.5	85%	0.852	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	136.9	169.7	-67.1	-173	177.1	-173.4	0	109.6	G499	K497-G499 PolarHBondContact O-N 2.96Å
498	N	81.9	Confident	86.3	Confident	120 Å²	120	68.3 Å²	68.3	64%	0.642	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	-4.4	-174.6	-58.4	4.9	0	0	0	116.3	S412 F496	S412-N498 WeakPolarHBondContact CA-O 3.32Å; S412-N498 VanDerWaalsContact CB-O 3.25Å; S412-N498 WeakPolarHBondContact CB-O 3.16Å; F496-N498 PolarHBondContact O-N 3.29Å
499	G	85.8	Confident	85.1	Confident	11 Å²	11	68.5 Å²	68.5	11%	0.113	33%	0.328	C	S	.	.	S	Bend	trans	-75.5	172.7	173.9	0	0	0	0	0	113.3	R494 F496 K497	R494-G499 PolarHBondContact NH1-O 3.21Å; F496-G499 PolarHBondContact O-N 3.06Å; K497-G499 PolarHBondContact O-N 2.96Å
500	S	91.5	Very high	84.2	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.042	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-51.9	153.3	176.4	-34.5	0	0	0	0	112.9	L411 A414	L411-S500 VanDerWaalsContact CD1-OG 3.26Å; L411-S500 WeakPolarHBondContact CD1-OG 3.44Å; L411-S500 VanDerWaalsContact O-CA 3.25Å; L411-S500 WeakPolarHBondContact O-CA 3.48Å; L411-S500 PolarHBondContact O-N 2.77Å; A414-S500 WeakPolarHBondContact O-CA 3.36Å; A414-S500 WeakPolarHBondContact O-CB 3.36Å
501	F	92	Very high	83.1	Confident	60 Å²	60	62.3 Å²	62.3	26%	0.263	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	149.1	159.5	-70.7	-82.4	0	0	0	110	A414 I415 V416 F493 R494	A414-F501 PolarHBondContact O-N 3.28Å; I415-F501 CarbonylContact C-O 3.47Å; I415-F501 WeakPolarHBondContact CA-O 3.46Å; I415-F501 HydrophobicContact CG1-CB 4.05Å; V416-F501 PolarHBondContact N-O 3.04Å; F493-F501 CarbonylContact O-C 3.48Å; F493-F501 VanDerWaalsContact O-CA 3.29Å; F493-F501 WeakPolarHBondContact O-CA 3.17Å; R494-F501 HydrophobicContact CG-CD1 3.71Å; R494-F501 HydrophobicContact CG-CE1 3.96Å; R494-F501 HydrophobicContact CG-CG 4.24Å; R494-F501 VanDerWaalsContact NH2-CZ 3.25Å
502	W	93.1	Very high	81.8	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.8	175.2	-75.2	66.8	0	0	0	107.7	F382 V416 V418 V470 R473 W474 F493 M495 P504	F382-W502 HydrophobicContact CB-CH2 4.18Å; F382-W502 HydrophobicContact CB-CZ2 4.12Å; F382-W502 AromaticContact CD1-CH2 3.93Å; F382-W502 HydrophobicContact CD1-CH2 3.93Å; F382-W502 HydrophobicContact CD1-CZ2 4.15Å; F382-W502 HydrophobicContact CD2-CH2 4.37Å; F382-W502 AromaticContact CD2-CZ2 3.76Å; F382-W502 HydrophobicContact CD2-CZ2 3.76Å; F382-W502 HydrophobicContact CE1-CH2 4.42Å; F382-W502 HydrophobicContact CE2-CZ2 4.19Å; F382-W502 AromaticContact CG-CH2 3.89Å; F382-W502 HydrophobicContact CG-CH2 3.89Å; F382-W502 AromaticContact CG-CZ2 3.73Å; F382-W502 HydrophobicContact CG-CZ2 3.73Å; V416-W502 HydrophobicContact CB-CD2 4.1Å; V416-W502 HydrophobicContact CB-CE3 4.35Å; V416-W502 HydrophobicContact CB-CG 4.3Å; V416-W502 HydrophobicContact CG1-CD2 4.05Å; V416-W502 HydrophobicContact CG1-CE3 3.82Å; V416-W502 HydrophobicContact CG1-CH2 4.27Å; V416-W502 HydrophobicContact CG1-CZ2 4.46Å; V416-W502 HydrophobicContact CG1-CZ3 3.94Å; V416-W502 HydrophobicContact CG2-CD2 4.48Å; V418-W502 HydrophobicContact CG2-CE3 3.72Å; V418-W502 HydrophobicContact CG2-CZ3 4.2Å; V470-W502 HydrophobicContact CG1-CH2 4.46Å; V470-W502 HydrophobicContact CG1-CZ3 3.9Å; R473-W502 HydrophobicContact CB-CH2 4.18Å; W474-W502 HydrophobicContact CB-CE3 3.97Å; W474-W502 HydrophobicContact CB-CZ3 3.91Å; F493-W502 HydrophobicContact CD1-CB 4.08Å; F493-W502 WeakPolarHBondContact CD1-O 3.49Å; F493-W502 HydrophobicContact CE1-CB 3.59Å; F493-W502 HydrophobicContact CE2-CB 4.12Å; F493-W502 HydrophobicContact CE2-CG 4.5Å; F493-W502 HydrophobicContact CZ-CB 3.62Å; F493-W502 HydrophobicContact CZ-CG 4.21Å; F493-W502 PolarHBondContact N-O 2.93Å; F493-W502 PolarHBondContact O-N 2.98Å; M495-W502 HydrophobicContact CB-CG 4.45Å; M495-W502 HydrophobicContact CE-CD2 3.81Å; M495-W502 HydrophobicContact CE-CE3 3.81Å; M495-W502 HydrophobicContact CE-CH2 3.98Å; M495-W502 HydrophobicContact CE-CZ2 3.97Å; M495-W502 HydrophobicContact CE-CZ3 3.89Å; M495-W502 HydrophobicContact SD-CZ2 4.25Å; W502-P504 WeakPolarHBondContact O-CD 3.25Å
503	R	91.1	Very high	80	Confident	92 Å²	92	58.5 Å²	58.5	35%	0.347	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	111.2	175.6	-179.2	162.1	-63.7	170.4	3	109.2	I415 V416 V418 D492	I415-R503 HydrophobicContact CG2-CB 4Å; V416-R503 PolarHBondContact O-N 3.21Å; V418-R503 VanDerWaalsContact CB-O 3.26Å; V418-R503 WeakPolarHBondContact CB-O 3.33Å; V418-R503 WeakPolarHBondContact CG2-O 3.45Å; V418-R503 PolarHBondContact N-O 3.43Å; D492-R503 WeakPolarHBondContact OD1-CA 3.44Å; D492-R503 WeakPolarHBondContact OD1-CB 3.41Å; D492-R503 VanDerWaalsContact OD1-CG 3.23Å; D492-R503 WeakPolarHBondContact OD1-CG 3.23Å; D492-R503 IonicContact OD1-CZ 2.81Å; D492-R503 IonicContact OD1-NE 3.4Å; D492-R503 PolarHBondContact OD1-NE 3.44Å; D492-R503 IonicContact OD1-NH2 2.71Å; D492-R503 IonicContact OD2-CZ 3.86Å; D492-R503 IonicContact OD2-NE 2.86Å; D492-R503 PolarHBondContact OD2-NE 3.36Å; D492-R503 IonicContact OD2-NH2 3.21Å; D492-R503 PolarHBondContact OD2-NH2 3.45Å
504	P	91.1	Very high	78.3	Confident	9 Å²	9	57.3 Å²	57.3	6%	0.058	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-60	154.1	175	-20.6	33.2	0	0	0	111.6	W474 R489 E491 F493 W502	W474-P504 HydrophobicContact CZ2-CB 3.98Å; R489-P504 WeakPolarHBondContact O-CB 3.49Å; R489-P504 WeakPolarHBondContact O-CG 3.39Å; E491-P504 WeakPolarHBondContact O-CD 3.49Å; F493-P504 HydrophobicContact CD1-CG 4.17Å; F493-P504 HydrophobicContact CE1-CG 4.14Å; W502-P504 WeakPolarHBondContact O-CD 3.25Å
505	P	85.5	Confident	76.5	Confident	5 Å²	5	55.5 Å²	55.5	3%	0.032	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-68.6	148.8	167.5	31.4	-31.6	0	0	0	109.7	V418 I420 W474 W488	V418-P505 HydrophobicContact CG1-CG 4.43Å; I420-P505 HydrophobicContact CD1-CB 4.05Å; I420-P505 HydrophobicContact CD1-CG 4.24Å; I420-P505 HydrophobicContact CG1-CB 3.67Å; I420-P505 HydrophobicContact CG1-CG 3.89Å; W474-P505 HydrophobicContact CE3-CG 4.32Å; W474-P505 HydrophobicContact CH2-CG 3.7Å; W474-P505 HydrophobicContact CZ2-CG 4.2Å; W474-P505 HydrophobicContact CZ3-CG 3.75Å; W488-P505 HydrophobicContact CZ2-CG 4.08Å; W488-P505 PolarHBondContact NE1-O 3.48Å
506	P	79.3	Confident	74.7	Confident	63 Å²	63	61 Å²	61	41%	0.409	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-63.7	144.9	172.2	26.8	-32.9	0	0	0	110.6	N508 P509	P506-N508 PolarHBondContact O-N 2.95Å; P506-P509 HydrophobicContact CG-CB 4.12Å; P506-P509 HydrophobicContact CG-CG 4.06Å
507	L	69.4	Low	72.6	Confident	57 Å²	57	63.1 Å²	63.1	30%	0.298	32%	0.319	S	S	.	.	S	Bend	trans	-62.1	-33	-173	-87.2	69.6	0	0	0	113.1	K487 W488 T490	K487-L507 HydrophobicContact CB-CD2 4.33Å; K487-L507 HydrophobicContact CG-CD2 3.67Å; W488-L507 HydrophobicContact CD2-CD1 4.18Å; W488-L507 HydrophobicContact CD2-CG 4.1Å; W488-L507 HydrophobicContact CG-CD1 4.06Å; W488-L507 HydrophobicContact CG-CG 4.41Å; W488-L507 HydrophobicContact CZ2-CG 4.3Å; T490-L507 HydrophobicContact CG2-CD1 3.33Å
508	N	69.1	Low	70.8	Confident	40 Å²	40	55.5 Å²	55.5	21%	0.214	29%	0.287	C	S	.	.			trans	-146.1	109.1	164.5	-165.8	-35	0	0	0	107.9	P506 Y510 L511 H512	P506-N508 PolarHBondContact O-N 2.95Å; N508-Y510 PolarHBondContact O-N 3.01Å; N508-Y510 VanDerWaalsContact O-N 3.11Å; N508-Y510 PolarHBondContact OD1-N 3.47Å; N508-L511 HydrophobicContact CB-CB 4.14Å; N508-L511 HydrophobicContact CB-CD1 4.15Å; N508-L511 HydrophobicContact CB-CG 4.14Å; N508-L511 VanDerWaalsContact ND2-CD1 3.3Å; N508-L511 WeakPolarHBondContact ND2-CD1 3.35Å; N508-L511 WeakPolarHBondContact ND2-CG 3.32Å; N508-H512 PolarHBondContact O-ND1 3.41Å
509	P	64.9	Low	69.2	Low	35 Å²	35	54 Å²	54	23%	0.227	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-14.1	-176.8	-18	26.8	0	0	0	114.8	T372 P506	T372-P509 HydrophobicContact CG2-CB 4.32Å; P506-P509 HydrophobicContact CG-CB 4.12Å; P506-P509 HydrophobicContact CG-CG 4.06Å
510	Y	68.3	Low	67	Low	28 Å²	28	56.8 Å²	56.8	11%	0.11	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-14.7	-169.5	-42.2	-64.5	0	0	0	113.6	P298 M325 P361 I364 T372 N508	P298-Y510 HydrophobicContact CB-CD1 4.23Å; P298-Y510 HydrophobicContact CG-CD1 4.27Å; P298-Y510 HydrophobicContact CG-CG 4.48Å; M325-Y510 WeakPolarHBondContact CB-O 3.46Å; P361-Y510 VanDerWaalsContact CD-CD2 3.41Å; P361-Y510 HydrophobicContact CG-CD1 4.03Å; P361-Y510 HydrophobicContact CG-CD2 3.92Å; P361-Y510 HydrophobicContact CG-CE1 4.24Å; P361-Y510 HydrophobicContact CG-CE2 4.12Å; P361-Y510 HydrophobicContact CG-CG 3.85Å; I364-Y510 HydrophobicContact CD1-CE1 3.67Å; I364-Y510 WeakPolarHBondContact CD1-OH 3.39Å; I364-Y510 HydrophobicContact CG1-CE1 4.29Å; I364-Y510 HydrophobicContact CG2-CD1 4.42Å; I364-Y510 HydrophobicContact CG2-CE1 3.97Å; T372-Y510 HydrophobicContact CG2-CE1 4.09Å; N508-Y510 PolarHBondContact O-N 3.01Å; N508-Y510 VanDerWaalsContact O-N 3.11Å; N508-Y510 PolarHBondContact OD1-N 3.47Å
511	L	63.3	Low	64.6	Low	81 Å²	81	63.1 Å²	63.1	42%	0.424	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-20	173.1	-62.1	-178.1	0	0	0	112.8	M325 I357 N508 G513	M325-L511 HydrophobicContact CB-CD2 4.25Å; M325-L511 WeakPolarHBondContact O-CD2 3.33Å; M325-L511 HydrophobicContact SD-CD2 4.43Å; I357-L511 HydrophobicContact CG2-CD2 4.47Å; N508-L511 HydrophobicContact CB-CB 4.14Å; N508-L511 HydrophobicContact CB-CD1 4.15Å; N508-L511 HydrophobicContact CB-CG 4.14Å; N508-L511 VanDerWaalsContact ND2-CD1 3.3Å; N508-L511 WeakPolarHBondContact ND2-CD1 3.35Å; N508-L511 WeakPolarHBondContact ND2-CG 3.32Å; L511-G513 PolarHBondContact O-N 3.35Å
512	H	59.9	Low	62.2	Low	122 Å²	122	63.4 Å²	63.4	57%	0.565	34%	0.34	S	S	*	.	S	Bend	trans	-80.7	108.9	155.9	-57.1	75.3	0	0	0	104.5	N508	N508-H512 PolarHBondContact O-ND1 3.41Å
513	G	53.8	Low	59.9	Low	18 Å²	18	69.8 Å²	69.8	19%	0.186	37%	0.368	C	S	.	.			trans	-63.3	176.9	171.5	0	0	0	0	0	111.4	N326 D329 L511 S515	N326-G513 WeakPolarHBondContact ND2-CA 3.31Å; D329-G513 WeakPolarHBondContact OD1-CA 3.4Å; L511-G513 PolarHBondContact O-N 3.35Å; G513-S515 PolarHBondContact O-N 2.97Å
514	M	56.5	Low	57.5	Low	19 Å²	19	71.3 Å²	71.3	9%	0.094	39%	0.387	C	S	.	.	S	Bend	trans	-43.2	125.3	173.8	-58.2	-65.1	-164.2	0	0	110.4	M368 E519	M368-M514 HydrophobicContact CE-SD 4.26Å; M368-M514 HydrophobicContact CG-CE 3.59Å; M368-M514 HydrophobicContact CG-SD 3.6Å; M368-M514 VanDerWaalsContact CG-SD 3.6Å; M368-M514 HydrophobicContact SD-CE 3.87Å; M368-M514 HydrophobicContact SD-SD 3.83Å; M514-E519 HydrophobicContact CB-CG 4.3Å
515	S	52.5	Low	55.2	Low	55 Å²	55	76.7 Å²	76.7	39%	0.385	41%	0.412	S	S	.	.			trans	-72	153.2	177.2	45.8	0	0	0	0	110.9	G513 E517 Q518 E519	G513-S515 PolarHBondContact O-N 2.97Å; S515-E517 PolarHBondContact O-N 2.97Å; S515-E517 VanDerWaalsContact O-N 3.11Å; S515-Q518 CarbonylContact O-C 3.54Å; S515-Q518 WeakPolarHBondContact O-CA 3.44Å; S515-Q518 WeakPolarHBondContact O-CB 3.46Å; S515-Q518 PolarHBondContact O-N 2.98Å; S515-E519 PolarHBondContact O-N 3.4Å
516	E	49.1	Very low	53	Low	148 Å²	148	82.4 Å²	82.4	69%	0.692	44%	0.438	S	S	*	.	H	α-helix	trans	-53.8	-34.1	-179.3	-68	159.4	-168.8	0	0	112.8	Q518 E519	E516-Q518 VanDerWaalsContact C-N 3.28Å; E516-Q518 PolarHBondContact O-N 3Å; E516-E519 PolarHBondContact O-N 3.19Å
517	E	42.4	Very low	51.3	Low	159 Å²	159	85.2 Å²	85.2	74%	0.743	46%	0.456	S	S	*	.	H	α-helix	trans	-64.2	-28.4	172.6	-61.7	-176.1	137.5	0	0	113.3	S515 E521	S515-E517 PolarHBondContact O-N 2.97Å; S515-E517 VanDerWaalsContact O-N 3.11Å; E517-E521 PolarHBondContact O-N 3.47Å
518	Q	46.2	Very low	50.3	Low	36 Å²	36	86.1 Å²	86.1	17%	0.168	47%	0.468	C	S	.	.	H	α-helix	trans	-95.9	-14.8	177.4	-63	-164.4	-68.2	0	0	113.6	H371 S515 E516 A520 E521 A522	H371-Q518 PolarHBondContact CE1-NE2 2.81Å; H371-Q518 VanDerWaalsContact CE1-NE2 3.27Å; H371-Q518 PolarHBondContact NE2-NE2 2.74Å; S515-Q518 CarbonylContact O-C 3.54Å; S515-Q518 WeakPolarHBondContact O-CA 3.44Å; S515-Q518 WeakPolarHBondContact O-CB 3.46Å; S515-Q518 PolarHBondContact O-N 2.98Å; E516-Q518 VanDerWaalsContact C-N 3.28Å; E516-Q518 PolarHBondContact O-N 3Å; Q518-A520 PolarHBondContact O-N 3.04Å; Q518-E521 PolarHBondContact O-N 3.01Å; Q518-A522 WeakPolarHBondContact O-CB 3.24Å; Q518-A522 PolarHBondContact O-N 3.47Å
519	E	48.4	Very low	49.8	Very low	88 Å²	88	90.4 Å²	90.4	41%	0.411	48%	0.484	S	S	.	.	H	α-helix	trans	-65.4	-23	165.1	-65	-176.5	131	0	0	110.7	R332 M514 S515 E516	R332-E519 IonicContact CZ-OE1 3.04Å; R332-E519 IonicContact NH1-OE1 3.4Å; R332-E519 PolarHBondContact NH1-OE1 3.48Å; M514-E519 HydrophobicContact CB-CG 4.3Å; S515-E519 PolarHBondContact O-N 3.4Å; E516-E519 PolarHBondContact O-N 3.19Å
520	A	40	Very low	49.5	Very low	70 Å²	70	99.2 Å²	99.2	58%	0.579	52%	0.519	S	S	*	.	H	α-helix	trans	-85.9	-43.1	167.2	0	0	0	0	0	114	Q518 F523	Q518-A520 PolarHBondContact O-N 3.04Å; A520-F523 PolarHBondContact O-N 3.4Å
521	E	41.6	Very low	49.5	Very low	138 Å²	138	99.2 Å²	99.2	65%	0.645	53%	0.527	S	S	*	.	H	α-helix	trans	-78.8	-23.6	-176	-70.6	-176.5	165	0	0	114.8	E517 Q518 F523 V524	E517-E521 PolarHBondContact O-N 3.47Å; Q518-E521 PolarHBondContact O-N 3.01Å; E521-F523 VanDerWaalsContact C-N 3.28Å; E521-V524 WeakPolarHBondContact O-CG2 3.34Å
522	A	41	Very low	50.4	Low	66 Å²	66	96.8 Å²	96.8	55%	0.545	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.3	174.6	0	0	0	0	0	113.2	Q518	Q518-A522 WeakPolarHBondContact O-CB 3.24Å; Q518-A522 PolarHBondContact O-N 3.47Å
523	F	44.8	Very low	51.6	Low	137 Å²	137	91.6 Å²	91.6	60%	0.601	50%	0.496	S	S	*	.			trans	-119.9	61.4	-177.9	-138.9	-91.3	0	0	0	110	A520 E521 E525	A520-F523 PolarHBondContact O-N 3.4Å; E521-F523 VanDerWaalsContact C-N 3.28Å; F523-E525 VanDerWaalsContact CE1-OE1 3.23Å; F523-E525 WeakPolarHBondContact CE1-OE1 3.49Å; F523-E525 PolarHBondContact O-N 3.12Å
524	V	41	Very low	53.2	Low	123 Å²	123	96.3 Å²	96.3	75%	0.745	51%	0.511	S	S	*	.			trans	-76	75.7	172.2	-171.1	0	0	0	0	109.8	E521	E521-V524 WeakPolarHBondContact O-CG2 3.34Å
525	E	43	Very low	54.5	Low	122 Å²	122	101.6 Å²	101.6	57%	0.57	54%	0.535	S	S	*	.			trans	-64.4	152.4	136.7	-91.6	151.5	-144.2	0	0	108.9	F523	F523-E525 VanDerWaalsContact CE1-OE1 3.23Å; F523-E525 WeakPolarHBondContact CE1-OE1 3.49Å; F523-E525 PolarHBondContact O-N 3.12Å
526	E	38.3	Very low	56.2	Low	125 Å²	125	106.2 Å²	106.2	58%	0.584	55%	0.551	S	S	*	*			trans	-63.9	143.3	178	-78.8	-166	154.5	0	0	110.9	S528 K529	E526-S528 PolarHBondContact O-N 3.05Å; E526-K529 IonicContact OE1-NZ 2.85Å; E526-K529 PolarHBondContact OE1-NZ 2.89Å; E526-K529 IonicContact OE2-NZ 3.36Å; E526-K529 PolarHBondContact OE2-NZ 2.98Å
527	P	43.6	Very low	58.2	Low	122 Å²	122	101.4 Å²	101.4	79%	0.792	53%	0.528	S	S	*	.			trans	-61.5	108.3	162.7	27.7	-32.4	0	0	0	107.8	K529	P527-K529 PolarHBondContact O-N 2.63Å
528	S	49.6	Very low	60.6	Low	77 Å²	77	97.5 Å²	97.5	54%	0.538	51%	0.507	S	S	.	.			trans	-43.6	122.6	-167.1	-45.9	0	0	0	0	111.6	E526 K530	E526-S528 PolarHBondContact O-N 3.05Å; S528-K530 PolarHBondContact O-N 3.34Å
529	K	56.8	Low	62.7	Low	130 Å²	130	100 Å²	100	57%	0.565	52%	0.521	S	S	*	.			trans	-55.2	135.4	179.6	-63.3	-176	177.2	77.2	0	108.3	E526 P527 G531 A532	E526-K529 IonicContact OE1-NZ 2.85Å; E526-K529 PolarHBondContact OE1-NZ 2.89Å; E526-K529 IonicContact OE2-NZ 3.36Å; E526-K529 PolarHBondContact OE2-NZ 2.98Å; P527-K529 PolarHBondContact O-N 2.63Å; K529-G531 PolarHBondContact O-N 2.73Å; K529-A532 HydrophobicContact CB-CB 4.08Å; K529-A532 WeakPolarHBondContact O-CB 3.47Å; K529-A532 PolarHBondContact O-N 2.9Å
530	K	59.4	Low	64.9	Low	219 Å²	219	100.8 Å²	100.8	95%	0.952	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	113.9	177.5	-74	-169.7	173.9	-169.8	0	109.1	S528	S528-K530 PolarHBondContact O-N 3.34Å
531	G	68.7	Low	67.5	Low	28 Å²	28	97.5 Å²	97.5	29%	0.289	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	22.2	-171.6	0	0	0	0	0	115.2	K529 E567 A568	K529-G531 PolarHBondContact O-N 2.73Å; G531-E567 WeakPolarHBondContact CA-O 3.38Å; G531-A568 WeakPolarHBondContact O-CA 3.25Å
532	A	82.3	Confident	70	Confident	31 Å²	31	93.4 Å²	93.4	26%	0.256	48%	0.477	S	S	.	.			trans	-111.5	154.7	162.5	0	0	0	0	0	110.5	K529 E571	K529-A532 HydrophobicContact CB-CB 4.08Å; K529-A532 WeakPolarHBondContact O-CB 3.47Å; K529-A532 PolarHBondContact O-N 2.9Å; A532-E571 WeakPolarHBondContact CA-OE2 3.47Å; A532-E571 WeakPolarHBondContact CB-OE2 3.32Å
533	L	85.3	Confident	72.5	Confident	13 Å²	13	96.5 Å²	96.5	7%	0.068	48%	0.48	C	S	.	.			trans	-70.6	156.8	170.6	-66.4	174.2	0	0	0	110.5	Q537 R538 L541 N565 A568 E571 I572	L533-Q537 HydrophobicContact CB-CB 4.29Å; L533-Q537 HydrophobicContact CD2-CB 4.03Å; L533-R538 HydrophobicContact CB-CB 4.17Å; L533-R538 HydrophobicContact CD1-CB 4.06Å; L533-R538 HydrophobicContact CD1-CG 4.47Å; L533-L541 HydrophobicContact CD1-CD2 4.04Å; L533-N565 HydrophobicContact CD2-CB 4.19Å; L533-A568 HydrophobicContact CD2-CB 3.68Å; L533-A568 HydrophobicContact CG-CB 3.84Å; L533-E571 HydrophobicContact CD1-CG 4.34Å; L533-E571 HydrophobicContact CG-CG 4.5Å; L533-E571 PolarHBondContact N-OE2 3Å; L533-I572 HydrophobicContact CD1-CG1 3.98Å; L533-I572 HydrophobicContact CD2-CD1 4.1Å; L533-I572 HydrophobicContact CD2-CG1 4.05Å; L533-I572 HydrophobicContact CG-CG1 4.25Å
534	K	86.8	Confident	74.9	Confident	116 Å²	116	91.8 Å²	91.8	50%	0.504	46%	0.461	S	S	.	.			trans	-75.3	155.9	156.1	-60.9	171.2	-173	176	0	109.4	E536 Q537 R538	K534-E536 VanDerWaalsContact C-N 3.31Å; K534-E536 PolarHBondContact O-N 3.46Å; K534-Q537 HydrophobicContact CB-CG 4.34Å; K534-Q537 VanDerWaalsContact N-OE1 3.09Å; K534-Q537 WeakPolarHBondContact O-CA 3.37Å; K534-Q537 WeakPolarHBondContact O-CB 3.42Å; K534-Q537 PolarHBondContact O-N 3.19Å; K534-R538 PolarHBondContact O-N 2.89Å
535	E	84.4	Confident	77.5	Confident	131 Å²	131	86.1 Å²	86.1	61%	0.612	43%	0.426	S	S	*	.	H	α-helix	trans	-53.2	-47.3	176.5	-163.1	164.9	-122.8	0	0	111.6	Q537 R538 D539	E535-Q537 PolarHBondContact O-N 2.91Å; E535-Q537 VanDerWaalsContact O-N 3.13Å; E535-R538 PolarHBondContact O-N 3.39Å; E535-D539 PolarHBondContact O-N 3Å
536	E	87.4	Confident	79.9	Confident	152 Å²	152	87.6 Å²	87.6	71%	0.71	43%	0.426	S	S	*	.	H	α-helix	trans	-52.4	-35.3	172.9	-57.7	175.8	148.7	0	0	114.4	K534 K540	K534-E536 VanDerWaalsContact C-N 3.31Å; K534-E536 PolarHBondContact O-N 3.46Å; E536-K540 WeakPolarHBondContact O-CB 3.22Å; E536-K540 PolarHBondContact O-N 3.09Å
537	Q	90.3	Very high	82.5	Confident	46 Å²	46	83.6 Å²	83.6	22%	0.215	42%	0.419	C	S	.	.	H	α-helix	trans	-84.2	-31.7	179.9	-65	166.4	-74.9	0	0	111.5	L533 K534 E535 L541 F561 N565	L533-Q537 HydrophobicContact CB-CB 4.29Å; L533-Q537 HydrophobicContact CD2-CB 4.03Å; K534-Q537 HydrophobicContact CB-CG 4.34Å; K534-Q537 VanDerWaalsContact N-OE1 3.09Å; K534-Q537 WeakPolarHBondContact O-CA 3.37Å; K534-Q537 WeakPolarHBondContact O-CB 3.42Å; K534-Q537 PolarHBondContact O-N 3.19Å; E535-Q537 PolarHBondContact O-N 2.91Å; E535-Q537 VanDerWaalsContact O-N 3.13Å; Q537-L541 PolarHBondContact O-N 2.8Å; Q537-F561 HydrophobicContact CB-CZ 4.45Å; Q537-F561 WeakPolarHBondContact O-CZ 3.27Å; Q537-N565 PolarHBondContact NE2-OD1 3.18Å
538	R	93.1	Very high	84.9	Confident	78 Å²	78	78 Å²	78	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-70.6	-45.7	176.1	-175.7	-178.7	170.7	-73.4	-21.4	111.1	L533 K534 E535 K540 L541 E542 E571	L533-R538 HydrophobicContact CB-CB 4.17Å; L533-R538 HydrophobicContact CD1-CB 4.06Å; L533-R538 HydrophobicContact CD1-CG 4.47Å; K534-R538 PolarHBondContact O-N 2.89Å; E535-R538 PolarHBondContact O-N 3.39Å; R538-K540 VanDerWaalsContact C-N 3.34Å; R538-K540 PolarHBondContact O-N 3.34Å; R538-L541 WeakPolarHBondContact O-CB 3.4Å; R538-L541 PolarHBondContact O-N 3.37Å; R538-L541 VanDerWaalsContact O-N 3.12Å; R538-E542 IonicContact CZ-OE1 3.78Å; R538-E542 VanDerWaalsContact CZ-OE1 3.27Å; R538-E542 IonicContact NH1-OE1 3.73Å; R538-E542 PolarHBondContact NH1-OE1 2.72Å; R538-E542 IonicContact NH2-OE1 2.68Å; R538-E542 PolarHBondContact NH2-OE1 2.72Å; R538-E542 PolarHBondContact O-N 2.79Å; R538-E571 WeakPolarHBondContact CD-OE1 3.42Å
539	D	91.2	Very high	86.9	Confident	87 Å²	87	76.5 Å²	76.5	47%	0.465	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-43.6	176.1	-70.3	-11.3	0	0	0	110.9	E535 L541 E542 E543	E535-D539 PolarHBondContact O-N 3Å; D539-L541 VanDerWaalsContact C-N 3.32Å; D539-L541 PolarHBondContact O-N 2.79Å; D539-E542 PolarHBondContact O-N 3.42Å; D539-E543 WeakPolarHBondContact O-CB 3.45Å; D539-E543 PolarHBondContact O-N 3.26Å
540	K	94.1	Very high	88.4	Confident	106 Å²	106	70.9 Å²	70.9	46%	0.461	35%	0.347	S	S	.	.	H	α-helix	trans	-61.7	-35.6	173.1	179.9	160.2	-177.4	158.3	0	113.1	E536 R538 I544 F561	E536-K540 WeakPolarHBondContact O-CB 3.22Å; E536-K540 PolarHBondContact O-N 3.09Å; R538-K540 VanDerWaalsContact C-N 3.34Å; R538-K540 PolarHBondContact O-N 3.34Å; K540-I544 HydrophobicContact CG-CD1 3.94Å; K540-I544 HydrophobicContact CG-CG1 4.47Å; K540-I544 WeakPolarHBondContact O-CB 3.39Å; K540-I544 WeakPolarHBondContact O-CD1 3.46Å; K540-I544 WeakPolarHBondContact O-CG1 3.36Å; K540-I544 PolarHBondContact O-N 3.1Å; K540-F561 HydrophobicContact CD-CE2 4.06Å; K540-F561 HydrophobicContact CG-CE2 4.04Å; K540-F561 HydrophobicContact CG-CZ 4.47Å
541	L	94.9	Very high	89.8	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-67.7	-42.8	173.5	-179.5	59.9	0	0	0	111.4	L533 Q537 R538 D539 I544 L545 F561 I572 C575	L533-L541 HydrophobicContact CD1-CD2 4.04Å; Q537-L541 PolarHBondContact O-N 2.8Å; R538-L541 WeakPolarHBondContact O-CB 3.4Å; R538-L541 PolarHBondContact O-N 3.37Å; R538-L541 VanDerWaalsContact O-N 3.12Å; D539-L541 VanDerWaalsContact C-N 3.32Å; D539-L541 PolarHBondContact O-N 2.79Å; L541-I544 PolarHBondContact O-N 3.47Å; L541-L545 HydrophobicContact CD1-CD1 4.08Å; L541-L545 HydrophobicContact CD1-CG 4.22Å; L541-L545 HydrophobicContact CG-CD1 3.96Å; L541-L545 WeakPolarHBondContact O-CB 3.23Å; L541-L545 WeakPolarHBondContact O-CG 3.47Å; L541-L545 PolarHBondContact O-N 3.06Å; L541-F561 HydrophobicContact CB-CE1 3.88Å; L541-F561 HydrophobicContact CB-CZ 4.43Å; L541-F561 HydrophobicContact CD1-CD1 4.09Å; L541-F561 HydrophobicContact CD1-CE1 4.02Å; L541-F561 HydrophobicContact CG-CE1 4.41Å; L541-I572 HydrophobicContact CD2-CB 4.2Å; L541-I572 HydrophobicContact CD2-CG1 4.04Å; L541-I572 HydrophobicContact CD2-CG2 4.05Å; L541-C575 HydrophobicContact CD2-CB 3.7Å; L541-C575 HydrophobicContact CG-CB 4.37Å
542	E	94.2	Very high	90.7	Very high	51 Å²	51	69.4 Å²	69.4	24%	0.238	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-42.2	174.5	-77.4	-158.6	-143.2	0	0	111.9	R538 D539 L545 R546	R538-E542 IonicContact CZ-OE1 3.78Å; R538-E542 VanDerWaalsContact CZ-OE1 3.27Å; R538-E542 IonicContact NH1-OE1 3.73Å; R538-E542 PolarHBondContact NH1-OE1 2.72Å; R538-E542 IonicContact NH2-OE1 2.68Å; R538-E542 PolarHBondContact NH2-OE1 2.72Å; R538-E542 PolarHBondContact O-N 2.79Å; D539-E542 PolarHBondContact O-N 3.42Å; E542-L545 PolarHBondContact O-N 3.29Å; E542-R546 WeakPolarHBondContact O-CB 3.36Å; E542-R546 VanDerWaalsContact O-CD 3.26Å; E542-R546 WeakPolarHBondContact O-CD 3.3Å; E542-R546 WeakPolarHBondContact O-CG 3.14Å; E542-R546 PolarHBondContact O-N 3.27Å; E542-R546 IonicContact OE2-CZ 2.7Å; E542-R546 IonicContact OE2-NE 3.3Å; E542-R546 IonicContact OE2-NH2 2.6Å; E542-R546 PolarHBondContact OE2-NH2 3.48Å
543	E	93.8	Very high	91.1	Very high	131 Å²	131	73.6 Å²	73.6	61%	0.612	35%	0.347	S	S	*	.	H	α-helix	trans	-58.8	-54.2	174.3	-179	-175	-147.4	0	0	111.4	D539 L545 R546 G547	D539-E543 WeakPolarHBondContact O-CB 3.45Å; D539-E543 PolarHBondContact O-N 3.26Å; E543-L545 VanDerWaalsContact C-N 3.29Å; E543-L545 PolarHBondContact O-N 3.02Å; E543-R546 WeakPolarHBondContact O-CA 3.26Å; E543-R546 WeakPolarHBondContact O-CB 3.47Å; E543-R546 PolarHBondContact O-N 3.26Å; E543-G547 PolarHBondContact O-N 2.91Å
544	I	95.6	Very high	91.3	Very high	38 Å²	38	75.4 Å²	75.4	20%	0.195	36%	0.357	C	S	.	.	H	α-helix	trans	-53.4	-48.2	175.6	-72.5	166.2	0	0	0	110	K540 L541 R546 G547 L548 A558 F561	K540-I544 HydrophobicContact CG-CD1 3.94Å; K540-I544 HydrophobicContact CG-CG1 4.47Å; K540-I544 WeakPolarHBondContact O-CB 3.39Å; K540-I544 WeakPolarHBondContact O-CD1 3.46Å; K540-I544 WeakPolarHBondContact O-CG1 3.36Å; K540-I544 PolarHBondContact O-N 3.1Å; L541-I544 PolarHBondContact O-N 3.47Å; I544-R546 VanDerWaalsContact C-N 3.32Å; I544-R546 PolarHBondContact O-N 3.45Å; I544-G547 PolarHBondContact O-N 3.5Å; I544-L548 WeakPolarHBondContact O-CB 3.48Å; I544-L548 PolarHBondContact O-N 3.47Å; I544-A558 HydrophobicContact CG2-CB 3.47Å; I544-A558 VanDerWaalsContact CG2-CB 3.47Å; I544-F561 HydrophobicContact CD1-CB 4.22Å; I544-F561 HydrophobicContact CD1-CD1 4.33Å; I544-F561 HydrophobicContact CD1-CD2 4.07Å; I544-F561 HydrophobicContact CD1-CG 3.93Å
545	L	95.4	Very high	91.7	Very high	4 Å²	4	69.9 Å²	69.9	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-66.2	-30	179	-70.1	169.8	0	0	0	113.1	L541 E542 E543 C575 I576 R593 L596	L541-L545 HydrophobicContact CD1-CD1 4.08Å; L541-L545 HydrophobicContact CD1-CG 4.22Å; L541-L545 HydrophobicContact CG-CD1 3.96Å; L541-L545 WeakPolarHBondContact O-CB 3.23Å; L541-L545 WeakPolarHBondContact O-CG 3.47Å; L541-L545 PolarHBondContact O-N 3.06Å; E542-L545 PolarHBondContact O-N 3.29Å; E543-L545 VanDerWaalsContact C-N 3.29Å; E543-L545 PolarHBondContact O-N 3.02Å; L545-C575 HydrophobicContact CD1-CB 4.45Å; L545-I576 HydrophobicContact CD1-CG1 4.04Å; L545-I576 HydrophobicContact CD2-CG1 4.09Å; L545-R593 HydrophobicContact CD2-CG 4.13Å; L545-R593 PolarHBondContact O-NE 3.42Å; L545-R593 PolarHBondContact O-NH2 2.76Å; L545-L596 HydrophobicContact CD2-CD2 3.7Å
546	R	93.4	Very high	92	Very high	153 Å²	153	64.1 Å²	64.1	58%	0.577	31%	0.309	S	S	*	.	H	α-helix	trans	-72.5	-41.6	174.4	-73.4	158.6	-169.3	-116.6	6.4	111.5	E542 E543 I544 K589	E542-R546 WeakPolarHBondContact O-CB 3.36Å; E542-R546 VanDerWaalsContact O-CD 3.26Å; E542-R546 WeakPolarHBondContact O-CD 3.3Å; E542-R546 WeakPolarHBondContact O-CG 3.14Å; E542-R546 PolarHBondContact O-N 3.27Å; E542-R546 IonicContact OE2-CZ 2.7Å; E542-R546 IonicContact OE2-NE 3.3Å; E542-R546 IonicContact OE2-NH2 2.6Å; E542-R546 PolarHBondContact OE2-NH2 3.48Å; E543-R546 WeakPolarHBondContact O-CA 3.26Å; E543-R546 WeakPolarHBondContact O-CB 3.47Å; E543-R546 PolarHBondContact O-N 3.26Å; I544-R546 VanDerWaalsContact C-N 3.32Å; I544-R546 PolarHBondContact O-N 3.45Å; R546-K589 PolarHBondContact O-NZ 2.91Å
547	G	91.7	Very high	92.3	Very high	41 Å²	41	61.8 Å²	61.8	42%	0.423	30%	0.301	S	S	.	.	H	α-helix	trans	-68.4	-47.3	175.8	0	0	0	0	0	113.1	E543 I544 T549 K589	E543-G547 PolarHBondContact O-N 2.91Å; I544-G547 PolarHBondContact O-N 3.5Å; G547-T549 PolarHBondContact O-N 3.32Å; G547-K589 PolarHBondContact O-NZ 2.75Å
548	L	93.9	Very high	92.5	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	29%	0.292	C	S	.	.			trans	-33.3	112.2	-164.6	-159.2	72.6	0	0	0	115.4	I544 D554 A558 A592 R593 L596	I544-L548 WeakPolarHBondContact O-CB 3.48Å; I544-L548 PolarHBondContact O-N 3.47Å; L548-D554 HydrophobicContact CD1-CB 4.15Å; L548-D554 WeakPolarHBondContact CD1-O 3.5Å; L548-A558 HydrophobicContact CD1-CB 3.77Å; L548-A592 HydrophobicContact CB-CB 4.48Å; L548-A592 HydrophobicContact CD2-CB 3.99Å; L548-A592 HydrophobicContact CG-CB 3.95Å; L548-R593 HydrophobicContact CD2-CG 4.09Å; L548-L596 HydrophobicContact CD2-CB 4.04Å; L548-L596 HydrophobicContact CD2-CD2 4Å
549	T	92.3	Very high	92.6	Very high	46 Å²	46	56.2 Å²	56.2	28%	0.282	28%	0.279	S	S	.	.			trans	-95.7	163.1	171	91.1	0	0	0	0	110.3	G547 R551 D554 A592	G547-T549 PolarHBondContact O-N 3.32Å; T549-R551 PolarHBondContact O-N 2.9Å; T549-R551 WeakPolarHBondContact OG1-CB 3.37Å; T549-R551 WeakPolarHBondContact OG1-CD 3.33Å; T549-R551 VanDerWaalsContact OG1-CG 3.31Å; T549-R551 WeakPolarHBondContact OG1-CG 3.17Å; T549-R551 PolarHBondContact OG1-N 3.24Å; T549-D554 VanDerWaalsContact CB-OD2 3.29Å; T549-D554 WeakPolarHBondContact CB-OD2 3.4Å; T549-D554 VanDerWaalsContact CG2-OD2 3.32Å; T549-D554 WeakPolarHBondContact CG2-OD2 3.46Å; T549-D554 PolarHBondContact N-OD2 2.95Å; T549-D554 PolarHBondContact OG1-OD2 2.87Å; T549-A592 VanDerWaalsContact C-CB 3.43Å; T549-A592 WeakPolarHBondContact O-CB 3.39Å
550	P	89.3	Confident	92.7	Very high	11 Å²	11	54.8 Å²	54.8	7%	0.071	27%	0.273	C	S	.	.	S	Bend	trans	-76.9	26.7	177	33.8	-36.6	0	0	0	113.3	P588 A592 V763	P550-P588 HydrophobicContact CG-CB 4.47Å; P550-A592 HydrophobicContact CB-CB 4.19Å; P550-V763 HydrophobicContact CB-CG2 4.33Å; P550-V763 HydrophobicContact CG-CG2 3.92Å
551	R	88.3	Confident	92.8	Very high	125 Å²	125	51.1 Å²	51.1	47%	0.472	26%	0.257	S	S	.	.			trans	-86.5	145.4	174.8	-71.8	173.9	170.6	-170.5	-4.4	110.5	T549 N553 D554 I555 E765	T549-R551 PolarHBondContact O-N 2.9Å; T549-R551 WeakPolarHBondContact OG1-CB 3.37Å; T549-R551 WeakPolarHBondContact OG1-CD 3.33Å; T549-R551 VanDerWaalsContact OG1-CG 3.31Å; T549-R551 WeakPolarHBondContact OG1-CG 3.17Å; T549-R551 PolarHBondContact OG1-N 3.24Å; R551-N553 VanDerWaalsContact C-N 3.33Å; R551-N553 PolarHBondContact O-N 3.5Å; R551-D554 VanDerWaalsContact CB-OD1 3.31Å; R551-D554 WeakPolarHBondContact CB-OD1 3.45Å; R551-I555 WeakPolarHBondContact O-CD1 3.44Å; R551-I555 VanDerWaalsContact O-CG1 3.31Å; R551-I555 WeakPolarHBondContact O-CG1 3.4Å; R551-I555 PolarHBondContact O-N 2.91Å; R551-E765 IonicContact CZ-OE1 3.21Å; R551-E765 IonicContact NE-OE1 3.92Å; R551-E765 IonicContact NH2-OE1 2.76Å; R551-E765 PolarHBondContact NH2-OE1 2.88Å; R551-E765 IonicContact NH2-OE2 3.26Å; R551-E765 PolarHBondContact NH2-OE2 3.13Å
552	K	87.6	Confident	92.8	Very high	91 Å²	91	51 Å²	51	40%	0.396	26%	0.257	S	S	.	.	H	α-helix	trans	-59	-38.5	-172.4	-173.1	-174.4	171.3	91.1	0	113.8	G556 S758 W760	K552-G556 PolarHBondContact O-N 3.34Å; K552-S758 PolarHBondContact NZ-O 3.35Å; K552-S758 WeakPolarHBondContact O-CB 3.47Å; K552-W760 WeakPolarHBondContact CB-O 3.14Å; K552-W760 WeakPolarHBondContact CG-O 3.5Å
553	N	89.9	Confident	92.7	Very high	119 Å²	119	48.8 Å²	48.8	64%	0.636	25%	0.246	S	C	*	.	H	α-helix	trans	-72	-52.7	-176	-63.7	9.6	0	0	0	110	R551 I555 G556 D557	R551-N553 VanDerWaalsContact C-N 3.33Å; R551-N553 PolarHBondContact O-N 3.5Å; N553-I555 PolarHBondContact O-N 2.95Å; N553-G556 CarbonylContact O-C 3.56Å; N553-G556 WeakPolarHBondContact O-CA 3.3Å; N553-G556 PolarHBondContact O-N 3.44Å; N553-D557 PolarHBondContact O-N 2.97Å
554	D	90.8	Very high	92.7	Very high	51 Å²	51	48.2 Å²	48.2	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-49.5	-44.8	176.5	-43.9	28.8	0	0	0	112.2	L548 T549 R551 A558	L548-D554 HydrophobicContact CD1-CB 4.15Å; L548-D554 WeakPolarHBondContact CD1-O 3.5Å; T549-D554 VanDerWaalsContact CB-OD2 3.29Å; T549-D554 WeakPolarHBondContact CB-OD2 3.4Å; T549-D554 VanDerWaalsContact CG2-OD2 3.32Å; T549-D554 WeakPolarHBondContact CG2-OD2 3.46Å; T549-D554 PolarHBondContact N-OD2 2.95Å; T549-D554 PolarHBondContact OG1-OD2 2.87Å; R551-D554 VanDerWaalsContact CB-OD1 3.31Å; R551-D554 WeakPolarHBondContact CB-OD1 3.45Å; D554-A558 VanDerWaalsContact O-CB 3.26Å; D554-A558 WeakPolarHBondContact O-CB 3.35Å; D554-A558 PolarHBondContact O-N 2.84Å; D554-A558 VanDerWaalsContact O-N 3.08Å
555	I	94.4	Very high	92.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-40.3	178	-62.2	160.8	0	0	0	110.9	R551 N553 M559 Y595 L596 D599 W760	R551-I555 WeakPolarHBondContact O-CD1 3.44Å; R551-I555 VanDerWaalsContact O-CG1 3.31Å; R551-I555 WeakPolarHBondContact O-CG1 3.4Å; R551-I555 PolarHBondContact O-N 2.91Å; N553-I555 PolarHBondContact O-N 2.95Å; I555-M559 VanDerWaalsContact O-CB 3.23Å; I555-M559 WeakPolarHBondContact O-CB 3.49Å; I555-M559 PolarHBondContact O-N 2.87Å; I555-Y595 HydrophobicContact CD1-CD2 3.83Å; I555-Y595 HydrophobicContact CD1-CG 4.33Å; I555-L596 HydrophobicContact CG2-CB 4.45Å; I555-D599 HydrophobicContact CG2-CB 4.49Å; I555-D599 VanDerWaalsContact CG2-OD2 3.31Å; I555-D599 WeakPolarHBondContact CG2-OD2 3.17Å; I555-W760 HydrophobicContact CD1-CB 4.33Å
556	G	91.5	Very high	92.4	Very high	11 Å²	11	47.3 Å²	47.3	11%	0.113	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-46.4	175.5	0	0	0	0	0	113	K552 N553 M559 V560	K552-G556 PolarHBondContact O-N 3.34Å; N553-G556 CarbonylContact O-C 3.56Å; N553-G556 WeakPolarHBondContact O-CA 3.3Å; N553-G556 PolarHBondContact O-N 3.44Å; G556-M559 WeakPolarHBondContact O-CB 3.25Å; G556-M559 PolarHBondContact O-N 2.86Å; G556-V560 WeakPolarHBondContact O-CG2 3.45Å; G556-V560 PolarHBondContact O-N 3.11Å
557	D	91.8	Very high	92.3	Very high	103 Å²	103	46.5 Å²	46.5	55%	0.551	25%	0.247	S	C	*	.	H	α-helix	trans	-68.1	-42.4	-179.7	-65.5	-31.7	0	0	0	111.5	N553 M559 V560 F561	N553-D557 PolarHBondContact O-N 2.97Å; D557-M559 VanDerWaalsContact C-N 3.32Å; D557-M559 PolarHBondContact O-N 3.42Å; D557-V560 PolarHBondContact O-N 3.29Å; D557-F561 PolarHBondContact O-N 2.89Å
558	A	95.5	Very high	92.4	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-38.9	172.4	0	0	0	0	0	112.1	I544 L548 D554 F561 C562 L596	I544-A558 HydrophobicContact CG2-CB 3.47Å; I544-A558 VanDerWaalsContact CG2-CB 3.47Å; L548-A558 HydrophobicContact CD1-CB 3.77Å; D554-A558 VanDerWaalsContact O-CB 3.26Å; D554-A558 WeakPolarHBondContact O-CB 3.35Å; D554-A558 PolarHBondContact O-N 2.84Å; D554-A558 VanDerWaalsContact O-N 3.08Å; A558-F561 PolarHBondContact O-N 2.76Å; A558-C562 PolarHBondContact O-N 2.92Å; A558-C562 PolarHBondContact O-SG 3.3Å; A558-L596 HydrophobicContact CB-CD1 3.7Å; A558-L596 HydrophobicContact CB-CD2 3.89Å; A558-L596 HydrophobicContact CB-CG 4.41Å
559	M	95.1	Very high	92.5	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.02	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-43.2	174.6	175.5	-152.5	64.9	0	0	111.6	I555 G556 D557 F561 C562 L563 L596 D599 V600 N603 V755	I555-M559 VanDerWaalsContact O-CB 3.23Å; I555-M559 WeakPolarHBondContact O-CB 3.49Å; I555-M559 PolarHBondContact O-N 2.87Å; G556-M559 WeakPolarHBondContact O-CB 3.25Å; G556-M559 PolarHBondContact O-N 2.86Å; D557-M559 VanDerWaalsContact C-N 3.32Å; D557-M559 PolarHBondContact O-N 3.42Å; M559-F561 VanDerWaalsContact C-N 3.32Å; M559-F561 PolarHBondContact O-N 3.29Å; M559-C562 PolarHBondContact O-N 2.82Å; M559-L563 HydrophobicContact CE-CD1 4.38Å; M559-L563 HydrophobicContact CG-CD1 3.91Å; M559-L563 HydrophobicContact CG-CG 4.48Å; M559-L563 WeakPolarHBondContact O-CG 3.48Å; M559-L563 PolarHBondContact O-N 2.86Å; M559-L563 HydrophobicContact SD-CD1 4.28Å; M559-L596 HydrophobicContact CB-CD1 3.96Å; M559-L596 VanDerWaalsContact N-CD1 3.34Å; M559-D599 HydrophobicContact CG-CB 4.24Å; M559-D599 HydrophobicContact SD-CB 3.81Å; M559-V600 HydrophobicContact CB-CG2 4.1Å; M559-V600 HydrophobicContact CG-CG2 3.84Å; M559-N603 HydrophobicContact SD-CB 4.24Å; M559-N603 PolarHBondContact SD-ND2 2.88Å; M559-V755 HydrophobicContact CE-CG1 3.63Å; M559-V755 HydrophobicContact SD-CG1 4.36Å
560	V	93.6	Very high	92.6	Very high	58 Å²	58	47.6 Å²	47.6	35%	0.352	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-40.5	175.4	168	0	0	0	0	110.7	G556 D557 L563 N564	G556-V560 WeakPolarHBondContact O-CG2 3.45Å; G556-V560 PolarHBondContact O-N 3.11Å; D557-V560 PolarHBondContact O-N 3.29Å; V560-L563 PolarHBondContact O-N 3.21Å; V560-N564 WeakPolarHBondContact CG1-ND2 3.37Å; V560-N564 WeakPolarHBondContact O-CB 3.14Å; V560-N564 VanDerWaalsContact O-CG 3.27Å; V560-N564 PolarHBondContact O-N 3.36Å; V560-N564 PolarHBondContact O-ND2 2.97Å
561	F	95.3	Very high	92.8	Very high	28 Å²	28	49.4 Å²	49.4	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-57.8	-49	171.7	179.3	-87	0	0	0	111.7	Q537 K540 L541 I544 D557 A558 M559 L563 N564 N565	Q537-F561 HydrophobicContact CB-CZ 4.45Å; Q537-F561 WeakPolarHBondContact O-CZ 3.27Å; K540-F561 HydrophobicContact CD-CE2 4.06Å; K540-F561 HydrophobicContact CG-CE2 4.04Å; K540-F561 HydrophobicContact CG-CZ 4.47Å; L541-F561 HydrophobicContact CB-CE1 3.88Å; L541-F561 HydrophobicContact CB-CZ 4.43Å; L541-F561 HydrophobicContact CD1-CD1 4.09Å; L541-F561 HydrophobicContact CD1-CE1 4.02Å; L541-F561 HydrophobicContact CG-CE1 4.41Å; I544-F561 HydrophobicContact CD1-CB 4.22Å; I544-F561 HydrophobicContact CD1-CD1 4.33Å; I544-F561 HydrophobicContact CD1-CD2 4.07Å; I544-F561 HydrophobicContact CD1-CG 3.93Å; D557-F561 PolarHBondContact O-N 2.89Å; A558-F561 PolarHBondContact O-N 2.76Å; M559-F561 VanDerWaalsContact C-N 3.32Å; M559-F561 PolarHBondContact O-N 3.29Å; F561-L563 PolarHBondContact O-N 2.96Å; F561-N564 PolarHBondContact O-N 2.79Å; F561-N565 WeakPolarHBondContact CE2-ND2 3.33Å; F561-N565 WeakPolarHBondContact CZ-ND2 3.24Å; F561-N565 PolarHBondContact O-N 2.81Å; F561-N565 VanDerWaalsContact O-N 3.17Å; F561-N565 PolarHBondContact O-ND2 3.05Å
562	C	95.9	Very high	93.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-45.2	177.1	-68.1	0	0	0	0	112.3	A558 M559 N565 A566 I572 V600 Y614	A558-C562 PolarHBondContact O-N 2.92Å; A558-C562 PolarHBondContact O-SG 3.3Å; M559-C562 PolarHBondContact O-N 2.82Å; C562-N565 CarbonylContact O-C 3.47Å; C562-N565 PolarHBondContact O-N 2.86Å; C562-A566 PolarHBondContact O-N 2.98Å; C562-A566 VanDerWaalsContact O-N 3.16Å; C562-I572 HydrophobicContact CB-CG2 4.17Å; C562-I572 VanDerWaalsContact SG-CG2 3.6Å; C562-V600 HydrophobicContact CB-CG1 4.5Å; C562-V600 HydrophobicContact CB-CG2 3.82Å; C562-Y614 PolarHBondContact O-OH 3.39Å
563	L	92.8	Very high	93.7	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-69.1	-36.2	-178.2	-67.9	168.3	0	0	0	112.8	M559 V560 F561 N565 A566 N603 A611 Y614 V755	M559-L563 HydrophobicContact CE-CD1 4.38Å; M559-L563 HydrophobicContact CG-CD1 3.91Å; M559-L563 HydrophobicContact CG-CG 4.48Å; M559-L563 WeakPolarHBondContact O-CG 3.48Å; M559-L563 PolarHBondContact O-N 2.86Å; M559-L563 HydrophobicContact SD-CD1 4.28Å; V560-L563 PolarHBondContact O-N 3.21Å; F561-L563 PolarHBondContact O-N 2.96Å; L563-N565 VanDerWaalsContact C-N 3.29Å; L563-N565 PolarHBondContact O-N 3.45Å; L563-A566 VanDerWaalsContact O-CB 3.24Å; L563-A566 WeakPolarHBondContact O-CB 3.36Å; L563-A566 PolarHBondContact O-N 2.88Å; L563-N603 HydrophobicContact CD1-CB 3.72Å; L563-N603 HydrophobicContact CD2-CB 4.37Å; L563-A611 HydrophobicContact CD2-CB 3.88Å; L563-Y614 HydrophobicContact CD2-CD2 4.47Å; L563-Y614 HydrophobicContact CD2-CE2 4.4Å; L563-V755 HydrophobicContact CD1-CG1 3.51Å; L563-V755 HydrophobicContact CD1-CG2 4.23Å
564	N	93.1	Very high	93.9	Very high	119 Å²	119	35.8 Å²	35.8	64%	0.636	19%	0.186	S	C	*	.	H	α-helix	trans	-66.3	-31.2	174.4	-75	-24.3	0	0	0	112.5	V560 F561	V560-N564 WeakPolarHBondContact CG1-ND2 3.37Å; V560-N564 WeakPolarHBondContact O-CB 3.14Å; V560-N564 VanDerWaalsContact O-CG 3.27Å; V560-N564 PolarHBondContact O-N 3.36Å; V560-N564 PolarHBondContact O-ND2 2.97Å; F561-N564 PolarHBondContact O-N 2.79Å
565	N	93	Very high	94.2	Very high	21 Å²	21	34 Å²	34	11%	0.112	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	20.1	178.6	-61.2	-77.5	0	0	0	112.9	L533 Q537 F561 C562 L563 E567 A568 I572	L533-N565 HydrophobicContact CD2-CB 4.19Å; Q537-N565 PolarHBondContact NE2-OD1 3.18Å; F561-N565 WeakPolarHBondContact CE2-ND2 3.33Å; F561-N565 WeakPolarHBondContact CZ-ND2 3.24Å; F561-N565 PolarHBondContact O-N 2.81Å; F561-N565 VanDerWaalsContact O-N 3.17Å; F561-N565 PolarHBondContact O-ND2 3.05Å; C562-N565 CarbonylContact O-C 3.47Å; C562-N565 PolarHBondContact O-N 2.86Å; L563-N565 VanDerWaalsContact C-N 3.29Å; L563-N565 PolarHBondContact O-N 3.45Å; N565-E567 PolarHBondContact O-N 3.33Å; N565-A568 PolarHBondContact O-N 3.47Å; N565-I572 HydrophobicContact CB-CD1 3.79Å; N565-I572 WeakPolarHBondContact O-CD1 3.12Å
566	A	92.4	Very high	94.3	Very high	3 Å²	3	34 Å²	34	3%	0.025	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-61.8	-7.7	-172.5	0	0	0	0	0	115.8	C562 L563 A568 A569 N610 A611 Y614	C562-A566 PolarHBondContact O-N 2.98Å; C562-A566 VanDerWaalsContact O-N 3.16Å; L563-A566 VanDerWaalsContact O-CB 3.24Å; L563-A566 WeakPolarHBondContact O-CB 3.36Å; L563-A566 PolarHBondContact O-N 2.88Å; A566-A568 VanDerWaalsContact C-N 3.26Å; A566-A569 WeakPolarHBondContact O-CB 3.5Å; A566-N610 HydrophobicContact CB-CB 4.3Å; A566-N610 WeakPolarHBondContact O-CB 3.46Å; A566-A611 HydrophobicContact CB-CB 4.34Å; A566-Y614 HydrophobicContact CB-CE2 3.84Å
567	E	90.8	Very high	94.5	Very high	136 Å²	136	34.1 Å²	34.1	64%	0.636	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-63.5	-32.5	165.5	65.2	-179.8	164.1	0	0	112.6	G531 N565	G531-E567 WeakPolarHBondContact CA-O 3.38Å; N565-E567 PolarHBondContact O-N 3.33Å
568	A	93.6	Very high	94.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-97.8	29.2	178.2	0	0	0	0	0	113.5	G531 L533 N565 A566 E570 E571 I572	G531-A568 WeakPolarHBondContact O-CA 3.25Å; L533-A568 HydrophobicContact CD2-CB 3.68Å; L533-A568 HydrophobicContact CG-CB 3.84Å; N565-A568 PolarHBondContact O-N 3.47Å; A566-A568 VanDerWaalsContact C-N 3.26Å; A568-E570 PolarHBondContact O-N 3.36Å; A568-E570 VanDerWaalsContact O-N 3.08Å; A568-E571 PolarHBondContact O-N 2.85Å; A568-I572 HydrophobicContact CB-CD1 4.27Å; A568-I572 WeakPolarHBondContact O-CG1 3.47Å; A568-I572 PolarHBondContact O-N 2.69Å; A568-I572 VanDerWaalsContact O-N 3.08Å
569	A	94.8	Very high	94.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-57.1	-27	-173.1	0	0	0	0	0	114.7	A566 V573 Y614 F617	A566-A569 WeakPolarHBondContact O-CB 3.5Å; A569-V573 WeakPolarHBondContact O-CB 3.47Å; A569-V573 WeakPolarHBondContact O-CG2 3.18Å; A569-V573 PolarHBondContact O-N 3.45Å; A569-V573 VanDerWaalsContact O-N 3.13Å; A569-Y614 HydrophobicContact CB-CD1 3.93Å; A569-Y614 HydrophobicContact CB-CD2 4.38Å; A569-Y614 HydrophobicContact CB-CE1 3.63Å; A569-Y614 HydrophobicContact CB-CE2 4.13Å; A569-Y614 HydrophobicContact CB-CG 4.27Å; A569-F617 HydrophobicContact CB-CD2 4.06Å; A569-F617 HydrophobicContact CB-CE2 4.26Å
570	E	94.6	Very high	94.7	Very high	113 Å²	113	35.1 Å²	35.1	53%	0.528	18%	0.178	S	C	.	.	H	α-helix	trans	-67.8	-51	177.3	-167.3	157.6	-158	0	0	111.5	A568 V573 D574 F617	A568-E570 PolarHBondContact O-N 3.36Å; A568-E570 VanDerWaalsContact O-N 3.08Å; E570-V573 PolarHBondContact O-N 3.3Å; E570-D574 PolarHBondContact O-N 2.82Å; E570-D574 VanDerWaalsContact O-N 3.09Å; E570-F617 HydrophobicContact CB-CD1 4.09Å; E570-F617 HydrophobicContact CB-CD2 4.11Å; E570-F617 HydrophobicContact CB-CE1 3.77Å; E570-F617 HydrophobicContact CB-CE2 3.77Å; E570-F617 HydrophobicContact CB-CG 4.27Å; E570-F617 HydrophobicContact CB-CZ 3.6Å; E570-F617 HydrophobicContact CG-CD1 3.8Å; E570-F617 HydrophobicContact CG-CE1 3.54Å; E570-F617 HydrophobicContact CG-CE2 4.46Å; E570-F617 HydrophobicContact CG-CG 4.4Å; E570-F617 HydrophobicContact CG-CZ 3.9Å; E570-F617 WeakPolarHBondContact OE1-CE1 3.17Å
571	E	94.6	Very high	94.8	Very high	49 Å²	49	34.4 Å²	34.4	23%	0.229	18%	0.175	C	C	.	.	H	α-helix	trans	-68.6	-36.1	179.2	-174.3	175.4	178.5	0	0	112.4	A532 L533 R538 A568 D574 C575	A532-E571 WeakPolarHBondContact CA-OE2 3.47Å; A532-E571 WeakPolarHBondContact CB-OE2 3.32Å; L533-E571 HydrophobicContact CD1-CG 4.34Å; L533-E571 HydrophobicContact CG-CG 4.5Å; L533-E571 PolarHBondContact N-OE2 3Å; R538-E571 WeakPolarHBondContact CD-OE1 3.42Å; A568-E571 PolarHBondContact O-N 2.85Å; E571-D574 PolarHBondContact O-N 3.26Å; E571-C575 PolarHBondContact O-N 2.92Å; E571-C575 PolarHBondContact O-SG 2.94Å
572	I	96.4	Very high	94.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.7	-43.2	174.9	-66.4	165.8	0	0	0	110.5	L533 L541 C562 N565 A568 D574 I576 Y614	L533-I572 HydrophobicContact CD1-CG1 3.98Å; L533-I572 HydrophobicContact CD2-CD1 4.1Å; L533-I572 HydrophobicContact CD2-CG1 4.05Å; L533-I572 HydrophobicContact CG-CG1 4.25Å; L541-I572 HydrophobicContact CD2-CB 4.2Å; L541-I572 HydrophobicContact CD2-CG1 4.04Å; L541-I572 HydrophobicContact CD2-CG2 4.05Å; C562-I572 HydrophobicContact CB-CG2 4.17Å; C562-I572 VanDerWaalsContact SG-CG2 3.6Å; N565-I572 HydrophobicContact CB-CD1 3.79Å; N565-I572 WeakPolarHBondContact O-CD1 3.12Å; A568-I572 HydrophobicContact CB-CD1 4.27Å; A568-I572 WeakPolarHBondContact O-CG1 3.47Å; A568-I572 PolarHBondContact O-N 2.69Å; A568-I572 VanDerWaalsContact O-N 3.08Å; I572-D574 VanDerWaalsContact C-N 3.32Å; I572-D574 PolarHBondContact O-N 3.35Å; I572-I576 HydrophobicContact CG2-CD1 3.93Å; I572-I576 WeakPolarHBondContact O-CD1 3.1Å; I572-I576 VanDerWaalsContact O-CG1 3.24Å; I572-I576 WeakPolarHBondContact O-CG1 3.41Å; I572-I576 PolarHBondContact O-N 3.16Å; I572-I576 VanDerWaalsContact O-N 3.08Å; I572-Y614 HydrophobicContact CB-CE1 4.18Å; I572-Y614 WeakPolarHBondContact CD1-OH 3.34Å; I572-Y614 HydrophobicContact CG2-CE1 3.9Å
573	V	96.9	Very high	94.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-38	175.5	164.3	0	0	0	0	111.6	A569 E570 I576 T577 Y614 F617 F618 K621	A569-V573 WeakPolarHBondContact O-CB 3.47Å; A569-V573 WeakPolarHBondContact O-CG2 3.18Å; A569-V573 PolarHBondContact O-N 3.45Å; A569-V573 VanDerWaalsContact O-N 3.13Å; E570-V573 PolarHBondContact O-N 3.3Å; V573-I576 PolarHBondContact O-N 3.06Å; V573-T577 WeakPolarHBondContact O-CB 3.33Å; V573-T577 PolarHBondContact O-N 3.35Å; V573-T577 PolarHBondContact O-OG1 3.17Å; V573-Y614 HydrophobicContact CG2-CD1 3.67Å; V573-Y614 HydrophobicContact CG2-CE1 4.07Å; V573-F617 HydrophobicContact CB-CB 4.14Å; V573-F617 HydrophobicContact CG1-CB 4.12Å; V573-F617 HydrophobicContact CG2-CB 3.91Å; V573-F618 HydrophobicContact CB-CD1 4.44Å; V573-F618 HydrophobicContact CB-CE1 4.26Å; V573-F618 HydrophobicContact CG1-CD1 3.75Å; V573-F618 HydrophobicContact CG1-CE1 3.94Å; V573-F618 HydrophobicContact CG1-CG 4.3Å; V573-F618 HydrophobicContact CG2-CD1 3.99Å; V573-F618 HydrophobicContact CG2-CD2 3.92Å; V573-F618 HydrophobicContact CG2-CE1 3.83Å; V573-F618 HydrophobicContact CG2-CE2 3.78Å; V573-F618 HydrophobicContact CG2-CG 4.02Å; V573-F618 HydrophobicContact CG2-CZ 3.73Å; V573-K621 HydrophobicContact CG1-CB 4.37Å; V573-K621 HydrophobicContact CG1-CG 3.84Å
574	D	95.8	Very high	94.3	Very high	48 Å²	48	51.7 Å²	51.7	26%	0.257	26%	0.258	S	S	.	.	H	α-helix	trans	-71.1	-43.2	178.5	-80.5	3.6	0	0	0	112.4	E570 E571 I572 I576 T577 E578 K621	E570-D574 PolarHBondContact O-N 2.82Å; E570-D574 VanDerWaalsContact O-N 3.09Å; E571-D574 PolarHBondContact O-N 3.26Å; I572-D574 VanDerWaalsContact C-N 3.32Å; I572-D574 PolarHBondContact O-N 3.35Å; D574-I576 VanDerWaalsContact C-N 3.3Å; D574-I576 PolarHBondContact O-N 3.02Å; D574-T577 PolarHBondContact O-N 2.93Å; D574-T577 VanDerWaalsContact O-N 3.11Å; D574-E578 WeakPolarHBondContact O-CG 3.39Å; D574-E578 PolarHBondContact O-N 3.23Å; D574-K621 WeakPolarHBondContact OD1-CE 3.2Å; D574-K621 IonicContact OD1-NZ 2.65Å; D574-K621 PolarHBondContact OD1-NZ 2.85Å; D574-K621 IonicContact OD2-NZ 3.72Å; D574-K621 PolarHBondContact OD2-NZ 2.99Å
575	C	95.8	Very high	94.2	Very high	13 Å²	13	46.8 Å²	46.8	9%	0.088	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-42.7	172.5	-65.5	0	0	0	0	111.9	L541 L545 E571 S579	L541-C575 HydrophobicContact CD2-CB 3.7Å; L541-C575 HydrophobicContact CG-CB 4.37Å; L545-C575 HydrophobicContact CD1-CB 4.45Å; E571-C575 PolarHBondContact O-N 2.92Å; E571-C575 PolarHBondContact O-SG 2.94Å; C575-S579 WeakPolarHBondContact O-CB 3.34Å; C575-S579 PolarHBondContact O-N 3.18Å
576	I	96.9	Very high	94.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-42.2	176.1	-64.8	165.5	0	0	0	110.8	L545 I572 V573 D574 S579 L580 L596 V597 F618	L545-I576 HydrophobicContact CD1-CG1 4.04Å; L545-I576 HydrophobicContact CD2-CG1 4.09Å; I572-I576 HydrophobicContact CG2-CD1 3.93Å; I572-I576 WeakPolarHBondContact O-CD1 3.1Å; I572-I576 VanDerWaalsContact O-CG1 3.24Å; I572-I576 WeakPolarHBondContact O-CG1 3.41Å; I572-I576 PolarHBondContact O-N 3.16Å; I572-I576 VanDerWaalsContact O-N 3.08Å; V573-I576 PolarHBondContact O-N 3.06Å; D574-I576 VanDerWaalsContact C-N 3.3Å; D574-I576 PolarHBondContact O-N 3.02Å; I576-S579 PolarHBondContact O-N 3.37Å; I576-S579 PolarHBondContact O-OG 2.66Å; I576-L580 HydrophobicContact CG2-CD1 4.11Å; I576-L580 PolarHBondContact O-N 2.89Å; I576-L580 VanDerWaalsContact O-N 3.09Å; I576-L596 HydrophobicContact CD1-CD2 4.39Å; I576-V597 HydrophobicContact CG2-CG2 3.45Å; I576-V597 VanDerWaalsContact CG2-CG2 3.45Å; I576-F618 HydrophobicContact CD1-CZ 4.16Å; I576-F618 HydrophobicContact CG2-CE1 4.45Å
577	T	96.6	Very high	94.2	Very high	13 Å²	13	51.8 Å²	51.8	8%	0.08	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-47.4	178.6	-59.9	0	0	0	0	111.9	V573 D574 S579 L580 S581 K621 I625	V573-T577 WeakPolarHBondContact O-CB 3.33Å; V573-T577 PolarHBondContact O-N 3.35Å; V573-T577 PolarHBondContact O-OG1 3.17Å; D574-T577 PolarHBondContact O-N 2.93Å; D574-T577 VanDerWaalsContact O-N 3.11Å; T577-S579 VanDerWaalsContact C-N 3.33Å; T577-S579 PolarHBondContact O-N 2.89Å; T577-L580 PolarHBondContact O-N 3.13Å; T577-L580 VanDerWaalsContact O-N 3.1Å; T577-S581 PolarHBondContact O-N 3.03Å; T577-K621 HydrophobicContact CG2-CB 4.28Å; T577-I625 HydrophobicContact CG2-CD1 4.48Å; T577-I625 HydrophobicContact CG2-CG1 3.95Å
578	E	95.8	Very high	94.3	Very high	119 Å²	119	47.9 Å²	47.9	56%	0.556	25%	0.249	S	C	*	.	H	α-helix	trans	-63.3	-39.4	176.1	-70.1	-176.6	175.8	0	0	111.6	D574 L580 S581 I582	D574-E578 WeakPolarHBondContact O-CG 3.39Å; D574-E578 PolarHBondContact O-N 3.23Å; E578-L580 PolarHBondContact O-N 2.91Å; E578-S581 PolarHBondContact O-N 2.91Å; E578-S581 PolarHBondContact O-OG 2.7Å; E578-S581 VanDerWaalsContact O-OG 3.06Å; E578-I582 WeakPolarHBondContact O-CG1 3.45Å; E578-I582 PolarHBondContact O-N 2.75Å
579	S	96.2	Very high	94.4	Very high	11 Å²	11	51.2 Å²	51.2	8%	0.077	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-30.1	173.9	85.7	0	0	0	0	112.6	C575 I576 T577 R593	C575-S579 WeakPolarHBondContact O-CB 3.34Å; C575-S579 PolarHBondContact O-N 3.18Å; I576-S579 PolarHBondContact O-N 3.37Å; I576-S579 PolarHBondContact O-OG 2.66Å; T577-S579 VanDerWaalsContact C-N 3.33Å; T577-S579 PolarHBondContact O-N 2.89Å; S579-R593 PolarHBondContact O-NH1 2.88Å; S579-R593 WeakPolarHBondContact OG-CD 3.46Å
580	L	94.9	Very high	94.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-80.1	-34.5	177.3	-77.7	163.8	0	0	0	112.4	I576 T577 E578 I582 K590 R593 V597 I625	I576-L580 HydrophobicContact CG2-CD1 4.11Å; I576-L580 PolarHBondContact O-N 2.89Å; I576-L580 VanDerWaalsContact O-N 3.09Å; T577-L580 PolarHBondContact O-N 3.13Å; T577-L580 VanDerWaalsContact O-N 3.1Å; E578-L580 PolarHBondContact O-N 2.91Å; L580-I582 PolarHBondContact O-N 3.31Å; L580-K590 WeakPolarHBondContact CD2-O 3.46Å; L580-K590 PolarHBondContact O-NZ 2.85Å; L580-R593 HydrophobicContact CD2-CB 3.6Å; L580-R593 HydrophobicContact CG-CB 3.96Å; L580-V597 HydrophobicContact CD1-CG2 4.06Å; L580-I625 HydrophobicContact CD1-CD1 4.38Å; L580-I625 HydrophobicContact CD1-CG1 4.37Å; L580-I625 HydrophobicContact CD1-CG2 3.88Å
581	S	94.2	Very high	94.4	Very high	43 Å²	43	45.9 Å²	45.9	30%	0.301	24%	0.239	S	C	.	.	H	α-helix	trans	-69	-28.6	-177.7	76.4	0	0	0	0	113.9	T577 E578 L583 D628	T577-S581 PolarHBondContact O-N 3.03Å; E578-S581 PolarHBondContact O-N 2.91Å; E578-S581 PolarHBondContact O-OG 2.7Å; E578-S581 VanDerWaalsContact O-OG 3.06Å; S581-L583 PolarHBondContact O-N 2.9Å; S581-D628 WeakPolarHBondContact CB-OD2 3.34Å
582	I	93.2	Very high	94.5	Very high	90 Å²	90	43.6 Å²	43.6	46%	0.462	23%	0.228	S	C	.	.			trans	-58.3	102.1	177.7	-63.2	163.2	0	0	0	110.4	E578 L580 K584 T585 K590	E578-I582 WeakPolarHBondContact O-CG1 3.45Å; E578-I582 PolarHBondContact O-N 2.75Å; L580-I582 PolarHBondContact O-N 3.31Å; I582-K584 HydrophobicContact CG2-CB 4.26Å; I582-K584 PolarHBondContact O-N 3.25Å; I582-T585 WeakPolarHBondContact O-CB 3.5Å; I582-T585 PolarHBondContact O-N 3.34Å; I582-T585 VanDerWaalsContact O-N 3.07Å; I582-T585 PolarHBondContact O-OG1 3.08Å; I582-K590 VanDerWaalsContact O-CE 3.24Å; I582-K590 WeakPolarHBondContact O-CE 3.5Å; I582-K590 PolarHBondContact O-NZ 3.19Å
583	L	88.9	Confident	94.5	Very high	103 Å²	103	44.3 Å²	44.3	54%	0.539	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.1	-177.4	-66.2	177.1	0	0	0	113.4	S581 T585 A631	S581-L583 PolarHBondContact O-N 2.9Å; L583-T585 VanDerWaalsContact C-N 3.25Å; L583-T585 PolarHBondContact O-N 3.13Å; L583-A631 HydrophobicContact CD2-CB 3.92Å
584	K	91.2	Very high	94.5	Very high	202 Å²	202	44.2 Å²	44.2	88%	0.878	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-13	175.7	-69.1	-172.7	176.1	-174.6	0	114.2	I582	I582-K584 HydrophobicContact CG2-CB 4.26Å; I582-K584 PolarHBondContact O-N 3.25Å
585	T	92.3	Very high	94.6	Very high	16 Å²	16	42.7 Å²	42.7	10%	0.098	22%	0.221	C	C	.	.	S	Bend	trans	-65.9	128.9	-178.5	-59.7	0	0	0	0	110.5	I582 L583 K589 K590 R593	I582-T585 WeakPolarHBondContact O-CB 3.5Å; I582-T585 PolarHBondContact O-N 3.34Å; I582-T585 VanDerWaalsContact O-N 3.07Å; I582-T585 PolarHBondContact O-OG1 3.08Å; L583-T585 VanDerWaalsContact C-N 3.25Å; L583-T585 PolarHBondContact O-N 3.13Å; T585-K589 HydrophobicContact CG2-CB 3.85Å; T585-K590 HydrophobicContact CG2-CG 3.86Å; T585-K590 VanDerWaalsContact O-CE 3.3Å; T585-K590 WeakPolarHBondContact O-CE 3.49Å; T585-R593 VanDerWaalsContact CG2-NH1 3.27Å; T585-R593 PolarHBondContact OG1-NH1 3.26Å
586	P	92.8	Very high	94.7	Very high	81 Å²	81	42.1 Å²	42.1	53%	0.526	22%	0.217	S	C	.	.			trans	-53.8	143.8	177.1	-28.4	35.7	0	0	0	113.8	P588 K589 K590	P586-P588 VanDerWaalsContact C-CD 3.48Å; P586-K589 PolarHBondContact O-N 3.15Å; P586-K590 PolarHBondContact O-N 3.48Å
587	L	92.8	Very high	94.7	Very high	48 Å²	48	42.1 Å²	42.1	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-53.4	-42.5	-176.4	-55.6	178.1	0	0	0	114	K589 K590 I591 T632 I636 F645	L587-K589 VanDerWaalsContact C-N 3.33Å; L587-K589 PolarHBondContact O-N 3.27Å; L587-K590 PolarHBondContact O-N 3.4Å; L587-I591 WeakPolarHBondContact O-CG1 3.35Å; L587-I591 PolarHBondContact O-N 2.93Å; L587-T632 HydrophobicContact CD2-CG2 3.58Å; L587-I636 HydrophobicContact CD1-CD1 3.71Å; L587-I636 HydrophobicContact CD1-CG1 3.9Å; L587-I636 HydrophobicContact CD1-CG2 4.32Å; L587-I636 HydrophobicContact CD2-CD1 3.79Å; L587-I636 HydrophobicContact CD2-CG1 3.96Å; L587-I636 HydrophobicContact CG-CD1 4.41Å; L587-F645 HydrophobicContact CB-CD2 4.16Å; L587-F645 HydrophobicContact CB-CE2 4.47Å; L587-F645 HydrophobicContact CD2-CD2 4.11Å; L587-F645 HydrophobicContact CD2-CE2 4.08Å
588	P	92.4	Very high	94.7	Very high	53 Å²	53	41.5 Å²	41.5	34%	0.344	21%	0.213	S	C	.	.	H	α-helix	trans	-61.6	-38.7	177.6	-23.7	35.5	0	0	0	113	P550 P586 I591 A592 L768	P550-P588 HydrophobicContact CG-CB 4.47Å; P586-P588 VanDerWaalsContact C-CD 3.48Å; P588-I591 PolarHBondContact O-N 3.22Å; P588-A592 WeakPolarHBondContact O-CB 3.34Å; P588-A592 PolarHBondContact O-N 2.94Å; P588-L768 HydrophobicContact CG-CD1 4.44Å
589	K	94.6	Very high	94.6	Very high	71 Å²	71	35.8 Å²	35.8	31%	0.309	19%	0.187	S	C	.	.	H	α-helix	trans	-72.4	-34	178.4	-63.6	-162.9	170.2	-172	0	112.1	R546 G547 T585 P586 L587 A592 R593	R546-K589 PolarHBondContact O-NZ 2.91Å; G547-K589 PolarHBondContact O-NZ 2.75Å; T585-K589 HydrophobicContact CG2-CB 3.85Å; P586-K589 PolarHBondContact O-N 3.15Å; L587-K589 VanDerWaalsContact C-N 3.33Å; L587-K589 PolarHBondContact O-N 3.27Å; K589-A592 PolarHBondContact O-N 3.11Å; K589-R593 WeakPolarHBondContact O-CB 3.45Å; K589-R593 WeakPolarHBondContact O-CD 3.24Å; K589-R593 WeakPolarHBondContact O-CG 3.37Å; K589-R593 PolarHBondContact O-N 2.96Å
590	K	95	Very high	94.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-40.2	169.7	-76.4	178.9	177.1	-86.5	0	112.3	L580 I582 T585 P586 L587 L594 T632 F645	L580-K590 WeakPolarHBondContact CD2-O 3.46Å; L580-K590 PolarHBondContact O-NZ 2.85Å; I582-K590 VanDerWaalsContact O-CE 3.24Å; I582-K590 WeakPolarHBondContact O-CE 3.5Å; I582-K590 PolarHBondContact O-NZ 3.19Å; T585-K590 HydrophobicContact CG2-CG 3.86Å; T585-K590 VanDerWaalsContact O-CE 3.3Å; T585-K590 WeakPolarHBondContact O-CE 3.49Å; P586-K590 PolarHBondContact O-N 3.48Å; L587-K590 PolarHBondContact O-N 3.4Å; K590-L594 PolarHBondContact O-N 2.99Å; K590-L594 VanDerWaalsContact O-N 3.1Å; K590-T632 HydrophobicContact CD-CG2 3.45Å; K590-T632 VanDerWaalsContact CD-CG2 3.45Å; K590-T632 VanDerWaalsContact CE-OG1 3.31Å; K590-T632 WeakPolarHBondContact CE-OG1 3.4Å; K590-T632 PolarHBondContact NZ-OG1 2.69Å; K590-F645 HydrophobicContact CB-CE2 4.23Å
591	I	95.3	Very high	94.6	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-44.7	174	-66.2	-59.6	0	0	0	111.3	L587 P588 R593 L594 Y595 F645 R648 V649	L587-I591 WeakPolarHBondContact O-CG1 3.35Å; L587-I591 PolarHBondContact O-N 2.93Å; P588-I591 PolarHBondContact O-N 3.22Å; I591-R593 VanDerWaalsContact C-N 3.35Å; I591-R593 PolarHBondContact O-N 3.15Å; I591-L594 WeakPolarHBondContact O-CB 3.4Å; I591-L594 PolarHBondContact O-N 3.44Å; I591-L594 VanDerWaalsContact O-N 3.12Å; I591-Y595 HydrophobicContact CG2-CD1 4.17Å; I591-Y595 HydrophobicContact CG2-CD2 4.11Å; I591-Y595 HydrophobicContact CG2-CE1 3.7Å; I591-Y595 HydrophobicContact CG2-CE2 3.65Å; I591-Y595 HydrophobicContact CG2-CG 4.36Å; I591-Y595 VanDerWaalsContact CG2-CZ 3.43Å; I591-Y595 PolarHBondContact O-N 3.49Å; I591-F645 HydrophobicContact CD1-CD2 3.63Å; I591-F645 HydrophobicContact CD1-CE2 3.66Å; I591-F645 HydrophobicContact CD1-CG 4.37Å; I591-F645 HydrophobicContact CD1-CZ 4.44Å; I591-F645 HydrophobicContact CG1-CD2 3.8Å; I591-F645 HydrophobicContact CG1-CE2 3.93Å; I591-R648 HydrophobicContact CD1-CB 3.77Å; I591-R648 HydrophobicContact CG1-CB 4.34Å; I591-R648 HydrophobicContact CG2-CB 4.21Å; I591-V649 HydrophobicContact CD1-CG2 3.91Å
592	A	96.4	Very high	94.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.9	-45.5	176.9	0	0	0	0	0	112.4	L548 T549 P550 P588 K589 L594 Y595 L596	L548-A592 HydrophobicContact CB-CB 4.48Å; L548-A592 HydrophobicContact CD2-CB 3.99Å; L548-A592 HydrophobicContact CG-CB 3.95Å; T549-A592 VanDerWaalsContact C-CB 3.43Å; T549-A592 WeakPolarHBondContact O-CB 3.39Å; P550-A592 HydrophobicContact CB-CB 4.19Å; P588-A592 WeakPolarHBondContact O-CB 3.34Å; P588-A592 PolarHBondContact O-N 2.94Å; K589-A592 PolarHBondContact O-N 3.11Å; A592-L594 VanDerWaalsContact C-N 3.32Å; A592-L594 PolarHBondContact O-N 3.21Å; A592-Y595 PolarHBondContact O-N 3.42Å; A592-L596 PolarHBondContact O-N 3.01Å
593	R	97.1	Very high	94.6	Very high	15 Å²	15	33.4 Å²	33.4	6%	0.057	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-36.7	175.4	-70.5	164.7	-178.9	-179.2	6.1	112	L545 L548 S579 L580 T585 K589 I591 L596 V597	L545-R593 HydrophobicContact CD2-CG 4.13Å; L545-R593 PolarHBondContact O-NE 3.42Å; L545-R593 PolarHBondContact O-NH2 2.76Å; L548-R593 HydrophobicContact CD2-CG 4.09Å; S579-R593 PolarHBondContact O-NH1 2.88Å; S579-R593 WeakPolarHBondContact OG-CD 3.46Å; L580-R593 HydrophobicContact CD2-CB 3.6Å; L580-R593 HydrophobicContact CG-CB 3.96Å; T585-R593 VanDerWaalsContact CG2-NH1 3.27Å; T585-R593 PolarHBondContact OG1-NH1 3.26Å; K589-R593 WeakPolarHBondContact O-CB 3.45Å; K589-R593 WeakPolarHBondContact O-CD 3.24Å; K589-R593 WeakPolarHBondContact O-CG 3.37Å; K589-R593 PolarHBondContact O-N 2.96Å; I591-R593 VanDerWaalsContact C-N 3.35Å; I591-R593 PolarHBondContact O-N 3.15Å; R593-L596 PolarHBondContact O-N 3.11Å; R593-V597 WeakPolarHBondContact O-CG2 3.49Å; R593-V597 PolarHBondContact O-N 3.38Å; R593-V597 VanDerWaalsContact O-N 3.11Å
594	L	96.8	Very high	94.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.3	-37.1	173.4	-179.2	63.2	0	0	0	112.6	K590 I591 A592 L596 V597 S598 F626 L629 V649 C652 W656	K590-L594 PolarHBondContact O-N 2.99Å; K590-L594 VanDerWaalsContact O-N 3.1Å; I591-L594 WeakPolarHBondContact O-CB 3.4Å; I591-L594 PolarHBondContact O-N 3.44Å; I591-L594 VanDerWaalsContact O-N 3.12Å; A592-L594 VanDerWaalsContact C-N 3.32Å; A592-L594 PolarHBondContact O-N 3.21Å; L594-L596 VanDerWaalsContact C-N 3.35Å; L594-V597 WeakPolarHBondContact O-CB 3.44Å; L594-V597 PolarHBondContact O-N 3.16Å; L594-S598 WeakPolarHBondContact O-CB 3.48Å; L594-S598 PolarHBondContact O-N 2.8Å; L594-F626 HydrophobicContact CD1-CE1 4.34Å; L594-F626 HydrophobicContact CD1-CZ 4.21Å; L594-L629 HydrophobicContact CD1-CD1 4.2Å; L594-L629 HydrophobicContact CD2-CD1 4.03Å; L594-V649 HydrophobicContact CD2-CB 4.26Å; L594-V649 HydrophobicContact CD2-CG1 4.15Å; L594-V649 HydrophobicContact CD2-CG2 3.84Å; L594-C652 HydrophobicContact CD2-CB 4.39Å; L594-W656 HydrophobicContact CD1-CH2 4.47Å
595	Y	97.3	Very high	94.5	Very high	16 Å²	16	23.8 Å²	23.8	6%	0.063	13%	0.132	C	C	.	.	H	α-helix	trans	-65.7	-37.4	174	-68.9	-6.8	0	0	0	111.7	I555 I591 A592 S598 D599 W760	I555-Y595 HydrophobicContact CD1-CD2 3.83Å; I555-Y595 HydrophobicContact CD1-CG 4.33Å; I591-Y595 HydrophobicContact CG2-CD1 4.17Å; I591-Y595 HydrophobicContact CG2-CD2 4.11Å; I591-Y595 HydrophobicContact CG2-CE1 3.7Å; I591-Y595 HydrophobicContact CG2-CE2 3.65Å; I591-Y595 HydrophobicContact CG2-CG 4.36Å; I591-Y595 VanDerWaalsContact CG2-CZ 3.43Å; I591-Y595 PolarHBondContact O-N 3.49Å; A592-Y595 PolarHBondContact O-N 3.42Å; Y595-S598 WeakPolarHBondContact O-CA 3.32Å; Y595-S598 WeakPolarHBondContact O-CB 3.44Å; Y595-S598 PolarHBondContact O-N 3.26Å; Y595-S598 VanDerWaalsContact O-N 3.14Å; Y595-D599 PolarHBondContact O-N 3.48Å; Y595-W760 AromaticContact CD1-CD2 3.69Å; Y595-W760 HydrophobicContact CD1-CD2 3.69Å; Y595-W760 AromaticContact CD1-CE3 3.73Å; Y595-W760 HydrophobicContact CD1-CE3 3.73Å; Y595-W760 HydrophobicContact CD1-CG 4.08Å; Y595-W760 HydrophobicContact CD1-CZ3 4.29Å; Y595-W760 HydrophobicContact CD2-CB 3.59Å; Y595-W760 HydrophobicContact CD2-CD2 4.02Å; Y595-W760 HydrophobicContact CD2-CE3 4.29Å; Y595-W760 AromaticContact CD2-CG 3.6Å; Y595-W760 HydrophobicContact CD2-CG 3.6Å; Y595-W760 AromaticContact CE1-CD2 3.98Å; Y595-W760 HydrophobicContact CE1-CD2 3.98Å; Y595-W760 AromaticContact CE1-CE3 3.51Å; Y595-W760 HydrophobicContact CE1-CE3 3.51Å; Y595-W760 AromaticContact CE1-CZ3 3.96Å; Y595-W760 HydrophobicContact CE1-CZ3 3.96Å; Y595-W760 HydrophobicContact CE2-CB 3.92Å; Y595-W760 HydrophobicContact CE2-CD2 4.27Å; Y595-W760 HydrophobicContact CE2-CE3 4.09Å; Y595-W760 HydrophobicContact CE2-CG 4.12Å; Y595-W760 HydrophobicContact CG-CB 4.1Å; Y595-W760 AromaticContact CG-CD1 3.94Å; Y595-W760 AromaticContact CG-CD2 3.71Å; Y595-W760 HydrophobicContact CG-CD2 3.71Å; Y595-W760 HydrophobicContact CG-CE3 4.12Å; Y595-W760 AromaticContact CG-CG 3.57Å; Y595-W760 HydrophobicContact CG-CG 3.57Å; Y595-W760 AromaticContact CZ-CE3 3.69Å
596	L	97.5	Very high	94.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-45.4	170.4	175.1	60.8	0	0	0	112.6	L545 L548 I555 A558 M559 I576 A592 R593 L594 S598 D599 V600	L545-L596 HydrophobicContact CD2-CD2 3.7Å; L548-L596 HydrophobicContact CD2-CB 4.04Å; L548-L596 HydrophobicContact CD2-CD2 4Å; I555-L596 HydrophobicContact CG2-CB 4.45Å; A558-L596 HydrophobicContact CB-CD1 3.7Å; A558-L596 HydrophobicContact CB-CD2 3.89Å; A558-L596 HydrophobicContact CB-CG 4.41Å; M559-L596 HydrophobicContact CB-CD1 3.96Å; M559-L596 VanDerWaalsContact N-CD1 3.34Å; I576-L596 HydrophobicContact CD1-CD2 4.39Å; A592-L596 PolarHBondContact O-N 3.01Å; R593-L596 PolarHBondContact O-N 3.11Å; L594-L596 VanDerWaalsContact C-N 3.35Å; L596-S598 PolarHBondContact O-N 2.9Å; L596-D599 PolarHBondContact O-N 2.83Å; L596-V600 HydrophobicContact CD1-CG2 3.85Å; L596-V600 HydrophobicContact CG-CG2 4.49Å; L596-V600 WeakPolarHBondContact O-CB 3.22Å; L596-V600 WeakPolarHBondContact O-CG2 3.44Å; L596-V600 PolarHBondContact O-N 2.94Å
597	V	97.4	Very high	93.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-54.8	-44.6	171.1	172.7	0	0	0	0	110.4	I576 L580 R593 L594 L601 F618 L622 W656	I576-V597 HydrophobicContact CG2-CG2 3.45Å; I576-V597 VanDerWaalsContact CG2-CG2 3.45Å; L580-V597 HydrophobicContact CD1-CG2 4.06Å; R593-V597 WeakPolarHBondContact O-CG2 3.49Å; R593-V597 PolarHBondContact O-N 3.38Å; R593-V597 VanDerWaalsContact O-N 3.11Å; L594-V597 WeakPolarHBondContact O-CB 3.44Å; L594-V597 PolarHBondContact O-N 3.16Å; V597-L601 HydrophobicContact CG1-CD1 3.79Å; V597-L601 HydrophobicContact CG1-CG 4.39Å; V597-L601 VanDerWaalsContact O-CB 3.25Å; V597-L601 WeakPolarHBondContact O-CB 3.39Å; V597-L601 VanDerWaalsContact O-CG 3.23Å; V597-L601 WeakPolarHBondContact O-CG 3.2Å; V597-L601 PolarHBondContact O-N 3.37Å; V597-F618 HydrophobicContact CB-CE1 4.26Å; V597-F618 HydrophobicContact CB-CZ 4.23Å; V597-F618 HydrophobicContact CG1-CD1 3.94Å; V597-F618 HydrophobicContact CG1-CD2 4.48Å; V597-F618 HydrophobicContact CG1-CE1 3.79Å; V597-F618 HydrophobicContact CG1-CE2 4.32Å; V597-F618 HydrophobicContact CG1-CG 4.31Å; V597-F618 HydrophobicContact CG1-CZ 3.98Å; V597-F618 HydrophobicContact CG2-CE1 3.69Å; V597-F618 HydrophobicContact CG2-CZ 3.89Å; V597-L622 HydrophobicContact CG1-CD2 4.32Å; V597-W656 HydrophobicContact CG1-CH2 4.34Å; V597-W656 HydrophobicContact CG1-CZ2 4.21Å
598	S	95.8	Very high	93.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-46.1	-179.3	-150.8	0	0	0	0	113.3	L594 Y595 L596 L601 Y602 W656 W760	L594-S598 WeakPolarHBondContact O-CB 3.48Å; L594-S598 PolarHBondContact O-N 2.8Å; Y595-S598 WeakPolarHBondContact O-CA 3.32Å; Y595-S598 WeakPolarHBondContact O-CB 3.44Å; Y595-S598 PolarHBondContact O-N 3.26Å; Y595-S598 VanDerWaalsContact O-N 3.14Å; L596-S598 PolarHBondContact O-N 2.9Å; S598-L601 PolarHBondContact O-N 2.94Å; S598-Y602 PolarHBondContact O-N 3.29Å; S598-W656 PolarHBondContact OG-NE1 3.34Å; S598-W760 WeakPolarHBondContact OG-CZ2 3.41Å
599	D	95.2	Very high	92.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-80	-32.7	-176.4	-72.4	-17.3	0	0	0	113.2	I555 M559 Y595 L596 L601 Y602 N603 S758 K759 W760	I555-D599 HydrophobicContact CG2-CB 4.49Å; I555-D599 VanDerWaalsContact CG2-OD2 3.31Å; I555-D599 WeakPolarHBondContact CG2-OD2 3.17Å; M559-D599 HydrophobicContact CG-CB 4.24Å; M559-D599 HydrophobicContact SD-CB 3.81Å; Y595-D599 PolarHBondContact O-N 3.48Å; L596-D599 PolarHBondContact O-N 2.83Å; D599-L601 VanDerWaalsContact C-N 3.33Å; D599-Y602 PolarHBondContact O-N 2.72Å; D599-N603 WeakPolarHBondContact O-CB 3.38Å; D599-N603 PolarHBondContact O-N 2.93Å; D599-N603 PolarHBondContact O-ND2 3.34Å; D599-S758 WeakPolarHBondContact OD2-CA 3.16Å; D599-S758 WeakPolarHBondContact OD2-CB 3.21Å; D599-S758 PolarHBondContact OD2-OG 3.36Å; D599-K759 PolarHBondContact OD1-N 3.01Å; D599-W760 VanDerWaalsContact CG-NE1 3.33Å; D599-W760 PolarHBondContact OD1-NE1 3.26Å; D599-W760 PolarHBondContact OD2-NE1 2.95Å
600	V	96.1	Very high	92.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-38.3	169.1	174.3	0	0	0	0	110.6	M559 C562 L596 N603 S604 Y614 F618	M559-V600 HydrophobicContact CB-CG2 4.1Å; M559-V600 HydrophobicContact CG-CG2 3.84Å; C562-V600 HydrophobicContact CB-CG1 4.5Å; C562-V600 HydrophobicContact CB-CG2 3.82Å; L596-V600 HydrophobicContact CD1-CG2 3.85Å; L596-V600 HydrophobicContact CG-CG2 4.49Å; L596-V600 WeakPolarHBondContact O-CB 3.22Å; L596-V600 WeakPolarHBondContact O-CG2 3.44Å; L596-V600 PolarHBondContact O-N 2.94Å; V600-N603 CarbonylContact O-C 3.49Å; V600-S604 WeakPolarHBondContact O-CB 3.38Å; V600-S604 PolarHBondContact O-N 2.88Å; V600-Y614 HydrophobicContact CG1-CD1 3.69Å; V600-Y614 HydrophobicContact CG1-CD2 3.68Å; V600-Y614 HydrophobicContact CG1-CE1 4.05Å; V600-Y614 HydrophobicContact CG1-CE2 4.02Å; V600-Y614 HydrophobicContact CG1-CG 3.51Å; V600-F618 HydrophobicContact CB-CE2 4.39Å; V600-F618 HydrophobicContact CG1-CE2 3.99Å
601	L	95.3	Very high	92.4	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-65.5	-42.3	172.9	-81.9	173.6	0	0	0	112.7	V597 S598 D599 S604 F618 W656 I661 Y662	V597-L601 HydrophobicContact CG1-CD1 3.79Å; V597-L601 HydrophobicContact CG1-CG 4.39Å; V597-L601 VanDerWaalsContact O-CB 3.25Å; V597-L601 WeakPolarHBondContact O-CB 3.39Å; V597-L601 VanDerWaalsContact O-CG 3.23Å; V597-L601 WeakPolarHBondContact O-CG 3.2Å; V597-L601 PolarHBondContact O-N 3.37Å; S598-L601 PolarHBondContact O-N 2.94Å; D599-L601 VanDerWaalsContact C-N 3.33Å; L601-S604 WeakPolarHBondContact O-CB 3.45Å; L601-S604 PolarHBondContact O-N 3.16Å; L601-S604 PolarHBondContact O-OG 2.9Å; L601-F618 HydrophobicContact CD1-CD2 4.47Å; L601-F618 HydrophobicContact CD2-CB 3.95Å; L601-F618 HydrophobicContact CD2-CD2 3.69Å; L601-F618 HydrophobicContact CD2-CG 4.19Å; L601-F618 HydrophobicContact CG-CD2 3.79Å; L601-F618 HydrophobicContact CG-CE2 4.36Å; L601-F618 HydrophobicContact CG-CG 4.37Å; L601-W656 HydrophobicContact CD1-CD2 4.46Å; L601-W656 HydrophobicContact CD1-CH2 4.03Å; L601-W656 HydrophobicContact CD1-CZ2 3.78Å; L601-W656 HydrophobicContact CD1-CZ3 4.46Å; L601-I661 HydrophobicContact CB-CD1 4.1Å; L601-I661 HydrophobicContact CB-CG2 4.14Å; L601-I661 HydrophobicContact CD2-CG2 4.15Å; L601-Y662 HydrophobicContact CD1-CE2 4.15Å; L601-Y662 HydrophobicContact CD2-CE2 4.15Å; L601-Y662 WeakPolarHBondContact CD2-OH 3.31Å
602	Y	93.9	Very high	92.3	Very high	85 Å²	85	33.2 Å²	33.2	33%	0.333	19%	0.19	S	C	.	.	H	α-helix	trans	-61	-48.9	176	-178.7	-123.9	0	0	0	111.4	S598 D599 S604 S605 W659 A756	S598-Y602 PolarHBondContact O-N 3.29Å; D599-Y602 PolarHBondContact O-N 2.72Å; Y602-S604 VanDerWaalsContact C-N 3.29Å; Y602-S604 PolarHBondContact O-N 3.35Å; Y602-S605 PolarHBondContact O-OG 3.44Å; Y602-W659 HydrophobicContact CD1-CH2 4.4Å; Y602-W659 AromaticContact CD1-CZ2 3.91Å; Y602-W659 HydrophobicContact CD1-CZ2 3.91Å; Y602-W659 HydrophobicContact CD2-CB 4.38Å; Y602-W659 AromaticContact CD2-CD1 3.77Å; Y602-W659 AromaticContact CD2-CD2 3.51Å; Y602-W659 HydrophobicContact CD2-CD2 3.51Å; Y602-W659 AromaticContact CD2-CE2 3.31Å; Y602-W659 HydrophobicContact CD2-CE3 4.11Å; Y602-W659 AromaticContact CD2-CG 3.71Å; Y602-W659 HydrophobicContact CD2-CG 3.71Å; Y602-W659 HydrophobicContact CD2-CH2 4.21Å; Y602-W659 AromaticContact CD2-CZ2 3.64Å; Y602-W659 HydrophobicContact CD2-CZ2 3.64Å; Y602-W659 HydrophobicContact CD2-CZ3 4.44Å; Y602-W659 AromaticContact CD2-NE1 3.54Å; Y602-W659 HydrophobicContact CE1-CZ2 4.3Å; Y602-W659 AromaticContact CE2-CD1 3.47Å; Y602-W659 VanDerWaalsContact CE2-CD1 3.47Å; Y602-W659 HydrophobicContact CE2-CD2 4.02Å; Y602-W659 AromaticContact CE2-CE2 3.55Å; Y602-W659 AromaticContact CE2-CG 3.88Å; Y602-W659 HydrophobicContact CE2-CG 3.88Å; Y602-W659 HydrophobicContact CE2-CZ2 4.07Å; Y602-W659 AromaticContact CE2-NE1 3.25Å; Y602-W659 HydrophobicContact CG-CD2 4.17Å; Y602-W659 AromaticContact CG-CE2 3.77Å; Y602-W659 HydrophobicContact CG-CE3 4.43Å; Y602-W659 AromaticContact CG-CH2 3.86Å; Y602-W659 HydrophobicContact CG-CH2 3.86Å; Y602-W659 AromaticContact CG-CZ2 3.55Å; Y602-W659 HydrophobicContact CG-CZ2 3.55Å; Y602-W659 HydrophobicContact CG-CZ3 4.32Å; Y602-W659 AromaticContact CZ-NE1 3.81Å; Y602-A756 HydrophobicContact CD1-CB 4.3Å; Y602-A756 HydrophobicContact CE1-CB 3.71Å
603	N	93.6	Very high	92.2	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.032	21%	0.211	C	C	.	.	H	α-helix	trans	-80.1	-0.9	179.6	-75.7	-75.7	0	0	0	114.6	M559 L563 D599 V600 S605 A606 V755 A756	M559-N603 HydrophobicContact SD-CB 4.24Å; M559-N603 PolarHBondContact SD-ND2 2.88Å; L563-N603 HydrophobicContact CD1-CB 3.72Å; L563-N603 HydrophobicContact CD2-CB 4.37Å; D599-N603 WeakPolarHBondContact O-CB 3.38Å; D599-N603 PolarHBondContact O-N 2.93Å; D599-N603 PolarHBondContact O-ND2 3.34Å; V600-N603 CarbonylContact O-C 3.49Å; N603-S605 PolarHBondContact O-N 3.41Å; N603-A606 WeakPolarHBondContact O-CB 3.04Å; N603-A606 PolarHBondContact O-N 3.13Å; N603-V755 HydrophobicContact CB-CG1 4.11Å; N603-V755 VanDerWaalsContact OD1-CG1 3.29Å; N603-V755 WeakPolarHBondContact OD1-CG1 3.48Å; N603-A756 PolarHBondContact ND2-O 2.72Å; N603-A756 WeakPolarHBondContact OD1-CB 3.4Å; N603-A756 PolarHBondContact OD1-N 3.07Å
604	S	91.6	Very high	92.2	Very high	7 Å²	7	38.1 Å²	38.1	5%	0.049	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.7	171.2	87.6	0	0	0	0	112.5	V600 L601 Y602 A611 S612	V600-S604 WeakPolarHBondContact O-CB 3.38Å; V600-S604 PolarHBondContact O-N 2.88Å; L601-S604 WeakPolarHBondContact O-CB 3.45Å; L601-S604 PolarHBondContact O-N 3.16Å; L601-S604 PolarHBondContact O-OG 2.9Å; Y602-S604 VanDerWaalsContact C-N 3.29Å; Y602-S604 PolarHBondContact O-N 3.35Å; S604-A611 WeakPolarHBondContact CA-O 3.28Å; S604-A611 WeakPolarHBondContact CB-O 3.42Å; S604-A611 CarbonylContact O-C 3.54Å; S604-S612 VanDerWaalsContact O-CA 3.25Å; S604-S612 WeakPolarHBondContact O-CA 3.32Å; S604-S612 PolarHBondContact O-N 3.02Å
605	S	85.9	Confident	92	Very high	97 Å²	97	42.8 Å²	42.8	68%	0.678	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-5.2	174.9	66.4	0	0	0	0	114.2	Y602 N603	Y602-S605 PolarHBondContact O-OG 3.44Å; N603-S605 PolarHBondContact O-N 3.41Å
606	A	84.3	Confident	91.9	Very high	25 Å²	25	48 Å²	48	21%	0.207	25%	0.249	C	C	.	.	S	Bend	trans	-67.6	163.5	179.1	0	0	0	0	0	112.1	N603 V608	N603-A606 WeakPolarHBondContact O-CB 3.04Å; N603-A606 PolarHBondContact O-N 3.13Å; A606-V608 HydrophobicContact CB-CG2 4.37Å; A606-V608 PolarHBondContact O-N 3.45Å
607	K	83.7	Confident	91.8	Very high	195 Å²	195	49.2 Å²	49.2	85%	0.848	26%	0.255	S	S	*	.	S	Bend	trans	-76.3	27.1	-178.3	-63.8	-173.9	178.6	-180	0	114.3	F753	K607-F753 HydrophobicContact CB-CD1 4.47Å; K607-F753 WeakPolarHBondContact O-CD1 3.48Å; K607-F753 WeakPolarHBondContact O-CE1 3.37Å
608	V	84.5	Confident	91.8	Very high	29 Å²	29	49.2 Å²	49.2	18%	0.176	26%	0.255	C	S	.	.	S	Bend	trans	-88.1	138.1	178.3	-179.5	0	0	0	0	108.9	A606 A611 F753 V755	A606-V608 HydrophobicContact CB-CG2 4.37Å; A606-V608 PolarHBondContact O-N 3.45Å; V608-A611 HydrophobicContact CB-CB 3.9Å; V608-A611 HydrophobicContact CG1-CB 4.19Å; V608-F753 HydrophobicContact CG2-CB 4.2Å; V608-F753 HydrophobicContact CG2-CG 4.49Å; V608-V755 HydrophobicContact CG2-CG2 4.34Å
609	A	84.2	Confident	91.8	Very high	75 Å²	75	53.4 Å²	53.4	62%	0.62	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	142.4	177.1	0	0	0	0	0	110.7	A611	A609-A611 PolarHBondContact O-N 2.85Å
610	N	87.7	Confident	91.8	Very high	68 Å²	68	58 Å²	58	36%	0.364	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	-13.5	178.9	-54.6	-26.7	0	0	0	116.9	A566 S612 Y613	A566-N610 HydrophobicContact CB-CB 4.3Å; A566-N610 WeakPolarHBondContact O-CB 3.46Å; N610-S612 PolarHBondContact O-N 2.8Å; N610-S612 VanDerWaalsContact O-N 3.07Å; N610-Y613 HydrophobicContact CB-CD2 3.82Å; N610-Y613 HydrophobicContact CB-CE2 4.01Å; N610-Y613 WeakPolarHBondContact O-CB 3.24Å; N610-Y613 VanDerWaalsContact O-CD2 3.24Å; N610-Y613 WeakPolarHBondContact O-CD2 3.38Å; N610-Y613 PolarHBondContact O-N 2.87Å
611	A	91.6	Very high	91.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.8	-177.7	0	0	0	0	0	114.2	L563 A566 S604 V608 A609 Y613 Y614	L563-A611 HydrophobicContact CD2-CB 3.88Å; A566-A611 HydrophobicContact CB-CB 4.34Å; S604-A611 WeakPolarHBondContact CA-O 3.28Å; S604-A611 WeakPolarHBondContact CB-O 3.42Å; S604-A611 CarbonylContact O-C 3.54Å; V608-A611 HydrophobicContact CB-CB 3.9Å; V608-A611 HydrophobicContact CG1-CB 4.19Å; A609-A611 PolarHBondContact O-N 2.85Å; A611-Y613 PolarHBondContact O-N 2.95Å; A611-Y614 WeakPolarHBondContact O-CB 3.42Å; A611-Y614 WeakPolarHBondContact O-CD2 3.36Å; A611-Y614 PolarHBondContact O-N 3.31Å
612	S	92.9	Very high	91.9	Very high	78 Å²	78	60.8 Å²	60.8	55%	0.545	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.2	174.1	56.8	0	0	0	0	114.2	S604 N610 Y614	S604-S612 VanDerWaalsContact O-CA 3.25Å; S604-S612 WeakPolarHBondContact O-CA 3.32Å; S604-S612 PolarHBondContact O-N 3.02Å; N610-S612 PolarHBondContact O-N 2.8Å; N610-S612 VanDerWaalsContact O-N 3.07Å; S612-Y614 VanDerWaalsContact C-N 3.29Å; S612-Y614 PolarHBondContact O-N 2.72Å
613	Y	93.9	Very high	91.9	Very high	117 Å²	117	58.3 Å²	58.3	46%	0.459	31%	0.309	S	S	.	.	H	α-helix	trans	-69.4	-23.9	174.5	-62.7	-48.5	0	0	0	113.2	N610 A611 R615 K616 F617	N610-Y613 HydrophobicContact CB-CD2 3.82Å; N610-Y613 HydrophobicContact CB-CE2 4.01Å; N610-Y613 WeakPolarHBondContact O-CB 3.24Å; N610-Y613 VanDerWaalsContact O-CD2 3.24Å; N610-Y613 WeakPolarHBondContact O-CD2 3.38Å; N610-Y613 PolarHBondContact O-N 2.87Å; A611-Y613 PolarHBondContact O-N 2.95Å; Y613-R615 VanDerWaalsContact C-N 3.28Å; Y613-R615 PolarHBondContact O-N 3.29Å; Y613-K616 WeakPolarHBondContact O-CB 3.44Å; Y613-K616 PolarHBondContact O-N 2.83Å; Y613-K616 VanDerWaalsContact O-N 3.08Å; Y613-F617 HydrophobicContact CG-CE2 4.39Å; Y613-F617 VanDerWaalsContact O-CD2 3.26Å; Y613-F617 WeakPolarHBondContact O-CD2 3.39Å; Y613-F617 PolarHBondContact O-N 2.82Å
614	Y	96.3	Very high	92	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-55.9	-42.5	175.5	-78.7	-62.2	0	0	0	112.3	C562 L563 A566 A569 I572 V573 V600 A611 S612 K616 F617 F618	C562-Y614 PolarHBondContact O-OH 3.39Å; L563-Y614 HydrophobicContact CD2-CD2 4.47Å; L563-Y614 HydrophobicContact CD2-CE2 4.4Å; A566-Y614 HydrophobicContact CB-CE2 3.84Å; A569-Y614 HydrophobicContact CB-CD1 3.93Å; A569-Y614 HydrophobicContact CB-CD2 4.38Å; A569-Y614 HydrophobicContact CB-CE1 3.63Å; A569-Y614 HydrophobicContact CB-CE2 4.13Å; A569-Y614 HydrophobicContact CB-CG 4.27Å; I572-Y614 HydrophobicContact CB-CE1 4.18Å; I572-Y614 WeakPolarHBondContact CD1-OH 3.34Å; I572-Y614 HydrophobicContact CG2-CE1 3.9Å; V573-Y614 HydrophobicContact CG2-CD1 3.67Å; V573-Y614 HydrophobicContact CG2-CE1 4.07Å; V600-Y614 HydrophobicContact CG1-CD1 3.69Å; V600-Y614 HydrophobicContact CG1-CD2 3.68Å; V600-Y614 HydrophobicContact CG1-CE1 4.05Å; V600-Y614 HydrophobicContact CG1-CE2 4.02Å; V600-Y614 HydrophobicContact CG1-CG 3.51Å; A611-Y614 WeakPolarHBondContact O-CB 3.42Å; A611-Y614 WeakPolarHBondContact O-CD2 3.36Å; A611-Y614 PolarHBondContact O-N 3.31Å; S612-Y614 VanDerWaalsContact C-N 3.29Å; S612-Y614 PolarHBondContact O-N 2.72Å; Y614-K616 VanDerWaalsContact C-N 3.3Å; Y614-K616 PolarHBondContact O-N 3.04Å; Y614-F617 PolarHBondContact O-N 3.01Å; Y614-F618 HydrophobicContact CD1-CD2 4.5Å; Y614-F618 HydrophobicContact CD1-CE2 4.05Å; Y614-F618 WeakPolarHBondContact O-CB 3.19Å; Y614-F618 WeakPolarHBondContact O-CD2 3.24Å; Y614-F618 PolarHBondContact O-N 3.22Å
615	R	94.4	Very high	92.3	Very high	99 Å²	99	62.2 Å²	62.2	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-58.3	-42.3	177.1	-168.6	174.2	-176.6	163.6	0.3	111.8	Y613 E619 A660 I661 Y662	Y613-R615 VanDerWaalsContact C-N 3.28Å; Y613-R615 PolarHBondContact O-N 3.29Å; R615-E619 WeakPolarHBondContact O-CB 3.35Å; R615-E619 PolarHBondContact O-N 2.94Å; R615-A660 PolarHBondContact NH2-O 2.65Å; R615-I661 PolarHBondContact NE-O 2.96Å; R615-I661 PolarHBondContact NH2-O 3.48Å; R615-Y662 HydrophobicContact CG-CE1 4.03Å; R615-Y662 PolarHBondContact O-OH 3.39Å
616	K	94.3	Very high	92.8	Very high	124 Å²	124	57.6 Å²	57.6	54%	0.539	29%	0.294	S	S	.	.	H	α-helix	trans	-69.7	-47.2	177.9	-175.6	-154.3	170.9	-155.1	0	111.9	Y613 Y614 E619	Y613-K616 WeakPolarHBondContact O-CB 3.44Å; Y613-K616 PolarHBondContact O-N 2.83Å; Y613-K616 VanDerWaalsContact O-N 3.08Å; Y614-K616 VanDerWaalsContact C-N 3.3Å; Y614-K616 PolarHBondContact O-N 3.04Å; K616-E619 WeakPolarHBondContact O-CB 3.34Å; K616-E619 PolarHBondContact O-N 3.28Å
617	F	96	Very high	93.3	Very high	27 Å²	27	58.3 Å²	58.3	12%	0.118	30%	0.298	C	S	.	.	H	α-helix	trans	-69.6	-44.6	-175.8	-70.5	-55.3	0	0	0	111.7	A569 E570 V573 Y613 Y614 E619 T620	A569-F617 HydrophobicContact CB-CD2 4.06Å; A569-F617 HydrophobicContact CB-CE2 4.26Å; E570-F617 HydrophobicContact CB-CD1 4.09Å; E570-F617 HydrophobicContact CB-CD2 4.11Å; E570-F617 HydrophobicContact CB-CE1 3.77Å; E570-F617 HydrophobicContact CB-CE2 3.77Å; E570-F617 HydrophobicContact CB-CG 4.27Å; E570-F617 HydrophobicContact CB-CZ 3.6Å; E570-F617 HydrophobicContact CG-CD1 3.8Å; E570-F617 HydrophobicContact CG-CE1 3.54Å; E570-F617 HydrophobicContact CG-CE2 4.46Å; E570-F617 HydrophobicContact CG-CG 4.4Å; E570-F617 HydrophobicContact CG-CZ 3.9Å; E570-F617 WeakPolarHBondContact OE1-CE1 3.17Å; V573-F617 HydrophobicContact CB-CB 4.14Å; V573-F617 HydrophobicContact CG1-CB 4.12Å; V573-F617 HydrophobicContact CG2-CB 3.91Å; Y613-F617 HydrophobicContact CG-CE2 4.39Å; Y613-F617 VanDerWaalsContact O-CD2 3.26Å; Y613-F617 WeakPolarHBondContact O-CD2 3.39Å; Y613-F617 PolarHBondContact O-N 2.82Å; Y614-F617 PolarHBondContact O-N 3.01Å; F617-E619 VanDerWaalsContact C-N 3.31Å; F617-E619 PolarHBondContact O-N 2.8Å; F617-T620 PolarHBondContact O-N 3.4Å; F617-T620 PolarHBondContact O-OG1 3.07Å
618	F	96.9	Very high	93.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-39	173.2	-80.3	-56.6	0	0	0	112.1	V573 I576 V597 V600 L601 Y614 T620 K621 L622 I625	V573-F618 HydrophobicContact CB-CD1 4.44Å; V573-F618 HydrophobicContact CB-CE1 4.26Å; V573-F618 HydrophobicContact CG1-CD1 3.75Å; V573-F618 HydrophobicContact CG1-CE1 3.94Å; V573-F618 HydrophobicContact CG1-CG 4.3Å; V573-F618 HydrophobicContact CG2-CD1 3.99Å; V573-F618 HydrophobicContact CG2-CD2 3.92Å; V573-F618 HydrophobicContact CG2-CE1 3.83Å; V573-F618 HydrophobicContact CG2-CE2 3.78Å; V573-F618 HydrophobicContact CG2-CG 4.02Å; V573-F618 HydrophobicContact CG2-CZ 3.73Å; I576-F618 HydrophobicContact CD1-CZ 4.16Å; I576-F618 HydrophobicContact CG2-CE1 4.45Å; V597-F618 HydrophobicContact CB-CE1 4.26Å; V597-F618 HydrophobicContact CB-CZ 4.23Å; V597-F618 HydrophobicContact CG1-CD1 3.94Å; V597-F618 HydrophobicContact CG1-CD2 4.48Å; V597-F618 HydrophobicContact CG1-CE1 3.79Å; V597-F618 HydrophobicContact CG1-CE2 4.32Å; V597-F618 HydrophobicContact CG1-CG 4.31Å; V597-F618 HydrophobicContact CG1-CZ 3.98Å; V597-F618 HydrophobicContact CG2-CE1 3.69Å; V597-F618 HydrophobicContact CG2-CZ 3.89Å; V600-F618 HydrophobicContact CB-CE2 4.39Å; V600-F618 HydrophobicContact CG1-CE2 3.99Å; L601-F618 HydrophobicContact CD1-CD2 4.47Å; L601-F618 HydrophobicContact CD2-CB 3.95Å; L601-F618 HydrophobicContact CD2-CD2 3.69Å; L601-F618 HydrophobicContact CD2-CG 4.19Å; L601-F618 HydrophobicContact CG-CD2 3.79Å; L601-F618 HydrophobicContact CG-CE2 4.36Å; L601-F618 HydrophobicContact CG-CG 4.37Å; Y614-F618 HydrophobicContact CD1-CD2 4.5Å; Y614-F618 HydrophobicContact CD1-CE2 4.05Å; Y614-F618 WeakPolarHBondContact O-CB 3.19Å; Y614-F618 WeakPolarHBondContact O-CD2 3.24Å; Y614-F618 PolarHBondContact O-N 3.22Å; F618-T620 PolarHBondContact O-N 2.85Å; F618-T620 VanDerWaalsContact O-N 3.09Å; F618-K621 CarbonylContact O-C 3.54Å; F618-K621 PolarHBondContact O-N 3.46Å; F618-L622 HydrophobicContact CB-CD1 4.25Å; F618-L622 HydrophobicContact CB-CG 4.23Å; F618-L622 WeakPolarHBondContact O-CG 3.38Å; F618-L622 PolarHBondContact O-N 2.91Å; F618-I625 HydrophobicContact CD1-CD1 4.37Å
619	E	95.4	Very high	94.4	Very high	88 Å²	88	48.8 Å²	48.8	41%	0.411	26%	0.255	S	S	.	.	H	α-helix	trans	-51.7	-37.7	177	-164.7	168.2	-172.6	0	0	112.6	R615 K616 F617 Y662 F666	R615-E619 WeakPolarHBondContact O-CB 3.35Å; R615-E619 PolarHBondContact O-N 2.94Å; K616-E619 WeakPolarHBondContact O-CB 3.34Å; K616-E619 PolarHBondContact O-N 3.28Å; F617-E619 VanDerWaalsContact C-N 3.31Å; F617-E619 PolarHBondContact O-N 2.8Å; E619-Y662 HydrophobicContact CB-CE1 3.79Å; E619-Y662 HydrophobicContact CG-CD1 4.32Å; E619-Y662 HydrophobicContact CG-CE1 3.83Å; E619-Y662 PolarHBondContact N-OH 2.68Å; E619-F666 HydrophobicContact CG-CE1 4.35Å; E619-F666 HydrophobicContact CG-CE2 4.45Å; E619-F666 HydrophobicContact CG-CZ 3.94Å
620	T	95.8	Very high	94.9	Very high	95 Å²	95	46 Å²	46	58%	0.583	23%	0.23	S	C	*	.	H	α-helix	trans	-75	-20.4	176.8	71.7	0	0	0	0	114.9	F617 F618	F617-T620 PolarHBondContact O-N 3.4Å; F617-T620 PolarHBondContact O-OG1 3.07Å; F618-T620 PolarHBondContact O-N 2.85Å; F618-T620 VanDerWaalsContact O-N 3.09Å
621	K	96.4	Very high	95.3	Very high	61 Å²	61	44.4 Å²	44.4	27%	0.265	23%	0.226	S	C	.	.	H	α-helix	trans	-109.2	-20.9	-174.1	-55.8	-69.9	169.1	141.4	0	113.4	V573 D574 T577 F618 C623 Q624 I625	V573-K621 HydrophobicContact CG1-CB 4.37Å; V573-K621 HydrophobicContact CG1-CG 3.84Å; D574-K621 WeakPolarHBondContact OD1-CE 3.2Å; D574-K621 IonicContact OD1-NZ 2.65Å; D574-K621 PolarHBondContact OD1-NZ 2.85Å; D574-K621 IonicContact OD2-NZ 3.72Å; D574-K621 PolarHBondContact OD2-NZ 2.99Å; T577-K621 HydrophobicContact CG2-CB 4.28Å; F618-K621 CarbonylContact O-C 3.54Å; F618-K621 PolarHBondContact O-N 3.46Å; K621-C623 VanDerWaalsContact C-N 3.31Å; K621-C623 PolarHBondContact O-N 2.85Å; K621-Q624 WeakPolarHBondContact O-CA 3.26Å; K621-Q624 WeakPolarHBondContact O-CB 3.33Å; K621-Q624 PolarHBondContact O-N 2.94Å; K621-I625 HydrophobicContact CB-CD1 4.31Å; K621-I625 WeakPolarHBondContact O-CG1 3.17Å; K621-I625 PolarHBondContact O-N 3.07Å
622	L	96.1	Very high	95.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-37.3	-175.3	-77.6	167.7	0	0	0	113.2	V597 F618 Q624 I625 F626 W656 Y662 F666 L670	V597-L622 HydrophobicContact CG1-CD2 4.32Å; F618-L622 HydrophobicContact CB-CD1 4.25Å; F618-L622 HydrophobicContact CB-CG 4.23Å; F618-L622 WeakPolarHBondContact O-CG 3.38Å; F618-L622 PolarHBondContact O-N 2.91Å; L622-Q624 VanDerWaalsContact C-N 3.29Å; L622-Q624 PolarHBondContact O-N 3.29Å; L622-I625 HydrophobicContact CD2-CD1 4.28Å; L622-I625 PolarHBondContact O-N 3.49Å; L622-F626 HydrophobicContact CD2-CE2 3.9Å; L622-F626 VanDerWaalsContact O-CD2 3.24Å; L622-F626 WeakPolarHBondContact O-CD2 3.43Å; L622-F626 PolarHBondContact O-N 3.42Å; L622-W656 HydrophobicContact CD1-CZ3 4.1Å; L622-W656 HydrophobicContact CD2-CH2 3.52Å; L622-W656 HydrophobicContact CD2-CZ3 3.74Å; L622-Y662 HydrophobicContact CD1-CD2 4.21Å; L622-Y662 HydrophobicContact CD1-CE2 3.42Å; L622-Y662 VanDerWaalsContact CD1-CE2 3.42Å; L622-F666 HydrophobicContact CD1-CE1 4.21Å; L622-L670 HydrophobicContact CB-CD1 3.82Å; L622-L670 HydrophobicContact CB-CD2 4.05Å; L622-L670 HydrophobicContact CD1-CD1 4.14Å; L622-L670 HydrophobicContact CG-CD1 4.47Å
623	C	95.3	Very high	95.4	Very high	34 Å²	34	43.6 Å²	43.6	23%	0.23	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-39.7	173.4	-64.6	0	0	0	0	112.4	K621 S627 L670 I673 I680	K621-C623 VanDerWaalsContact C-N 3.31Å; K621-C623 PolarHBondContact O-N 2.85Å; C623-S627 PolarHBondContact O-N 2.71Å; C623-L670 HydrophobicContact CB-CD2 4.37Å; C623-I673 HydrophobicContact CB-CD1 4.2Å; C623-I680 VanDerWaalsContact O-CD1 3.31Å; C623-I680 WeakPolarHBondContact O-CD1 3.48Å
624	Q	95.3	Very high	95.4	Very high	94 Å²	94	45.6 Å²	45.6	44%	0.439	22%	0.219	S	C	.	.	H	α-helix	trans	-70.4	-47.9	175.2	-179.4	59	44.2	0	0	110.9	K621 L622 F626 S627 D628	K621-Q624 WeakPolarHBondContact O-CA 3.26Å; K621-Q624 WeakPolarHBondContact O-CB 3.33Å; K621-Q624 PolarHBondContact O-N 2.94Å; L622-Q624 VanDerWaalsContact C-N 3.29Å; L622-Q624 PolarHBondContact O-N 3.29Å; Q624-F626 VanDerWaalsContact C-N 3.31Å; Q624-F626 PolarHBondContact O-N 3.42Å; Q624-S627 WeakPolarHBondContact O-CA 3.37Å; Q624-S627 VanDerWaalsContact O-CB 3.22Å; Q624-S627 WeakPolarHBondContact O-CB 3.47Å; Q624-S627 PolarHBondContact O-N 2.92Å; Q624-D628 PolarHBondContact NE2-OD1 2.86Å; Q624-D628 VanDerWaalsContact NE2-OD1 3.07Å; Q624-D628 PolarHBondContact NE2-OD2 2.92Å; Q624-D628 PolarHBondContact O-N 2.95Å
625	I	96.7	Very high	95.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-53.6	-47	178.5	-68.3	168.2	0	0	0	111.2	T577 L580 F618 K621 L622 S627 D628 L629	T577-I625 HydrophobicContact CG2-CD1 4.48Å; T577-I625 HydrophobicContact CG2-CG1 3.95Å; L580-I625 HydrophobicContact CD1-CD1 4.38Å; L580-I625 HydrophobicContact CD1-CG1 4.37Å; L580-I625 HydrophobicContact CD1-CG2 3.88Å; F618-I625 HydrophobicContact CD1-CD1 4.37Å; K621-I625 HydrophobicContact CB-CD1 4.31Å; K621-I625 WeakPolarHBondContact O-CG1 3.17Å; K621-I625 PolarHBondContact O-N 3.07Å; L622-I625 HydrophobicContact CD2-CD1 4.28Å; L622-I625 PolarHBondContact O-N 3.49Å; I625-S627 VanDerWaalsContact C-N 3.35Å; I625-S627 PolarHBondContact O-N 3.48Å; I625-D628 PolarHBondContact O-N 3Å; I625-L629 HydrophobicContact CG2-CD1 3.84Å; I625-L629 HydrophobicContact CG2-CG 4.43Å; I625-L629 WeakPolarHBondContact O-CB 3.09Å; I625-L629 VanDerWaalsContact O-CG 3.26Å; I625-L629 WeakPolarHBondContact O-CG 3.24Å; I625-L629 PolarHBondContact O-N 3.07Å
626	F	97	Very high	95.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-74	-23.2	179	-73	-65	0	0	0	114.1	L594 L622 Q624 L629 N630 V649 F653 W656 L670 I673 F674	L594-F626 HydrophobicContact CD1-CE1 4.34Å; L594-F626 HydrophobicContact CD1-CZ 4.21Å; L622-F626 HydrophobicContact CD2-CE2 3.9Å; L622-F626 VanDerWaalsContact O-CD2 3.24Å; L622-F626 WeakPolarHBondContact O-CD2 3.43Å; L622-F626 PolarHBondContact O-N 3.42Å; Q624-F626 VanDerWaalsContact C-N 3.31Å; Q624-F626 PolarHBondContact O-N 3.42Å; F626-L629 HydrophobicContact CD1-CD1 3.68Å; F626-L629 HydrophobicContact CE1-CD1 3.79Å; F626-N630 WeakPolarHBondContact O-CB 3.32Å; F626-N630 PolarHBondContact O-N 2.88Å; F626-V649 HydrophobicContact CD1-CG1 4.23Å; F626-V649 HydrophobicContact CE1-CG1 3.78Å; F626-F653 HydrophobicContact CD1-CE2 4.07Å; F626-F653 AromaticContact CD1-CZ 3.59Å; F626-F653 HydrophobicContact CD1-CZ 3.59Å; F626-F653 HydrophobicContact CD2-CE1 4.21Å; F626-F653 AromaticContact CD2-CZ 3.89Å; F626-F653 HydrophobicContact CD2-CZ 3.89Å; F626-F653 HydrophobicContact CE1-CE1 4.04Å; F626-F653 AromaticContact CE1-CE2 3.74Å; F626-F653 HydrophobicContact CE1-CE2 3.74Å; F626-F653 AromaticContact CE1-CZ 3.33Å; F626-F653 HydrophobicContact CE1-CZ 3.33Å; F626-F653 AromaticContact CE2-CE1 3.65Å; F626-F653 HydrophobicContact CE2-CE1 3.65Å; F626-F653 AromaticContact CE2-CZ 3.63Å; F626-F653 HydrophobicContact CE2-CZ 3.63Å; F626-F653 AromaticContact CG-CZ 3.87Å; F626-F653 HydrophobicContact CG-CZ 3.87Å; F626-F653 HydrophobicContact CZ-CD1 4.46Å; F626-F653 AromaticContact CZ-CE1 3.56Å; F626-F653 HydrophobicContact CZ-CE1 3.56Å; F626-F653 HydrophobicContact CZ-CE2 4.1Å; F626-F653 AromaticContact CZ-CZ 3.35Å; F626-F653 HydrophobicContact CZ-CZ 3.35Å; F626-W656 AromaticContact CE2-CH2 3.91Å; F626-W656 HydrophobicContact CE2-CH2 3.91Å; F626-W656 AromaticContact CE2-CZ3 3.7Å; F626-W656 HydrophobicContact CE2-CZ3 3.7Å; F626-W656 AromaticContact CZ-CH2 3.75Å; F626-W656 HydrophobicContact CZ-CH2 3.75Å; F626-W656 AromaticContact CZ-CZ3 3.82Å; F626-W656 HydrophobicContact CZ-CZ3 3.82Å; F626-L670 HydrophobicContact CD2-CB 3.9Å; F626-L670 HydrophobicContact CD2-CD1 4.08Å; F626-L670 HydrophobicContact CD2-CD2 4.09Å; F626-L670 HydrophobicContact CD2-CG 4.25Å; F626-L670 HydrophobicContact CE2-CB 4.25Å; F626-L670 HydrophobicContact CE2-CD1 3.96Å; F626-I673 HydrophobicContact CB-CG2 3.83Å; F626-F674 HydrophobicContact CB-CB 4.16Å; F626-F674 HydrophobicContact CD1-CB 3.91Å; F626-F674 HydrophobicContact CD1-CD2 4.32Å; F626-F674 HydrophobicContact CD1-CG 4.25Å; F626-F674 HydrophobicContact CG-CB 4.34Å
627	S	95.6	Very high	95	Very high	41 Å²	41	50.5 Å²	50.5	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-46.7	167.5	-161.5	0	0	0	0	111.1	C623 Q624 I625 L629 N630 A631	C623-S627 PolarHBondContact O-N 2.71Å; Q624-S627 WeakPolarHBondContact O-CA 3.37Å; Q624-S627 VanDerWaalsContact O-CB 3.22Å; Q624-S627 WeakPolarHBondContact O-CB 3.47Å; Q624-S627 PolarHBondContact O-N 2.92Å; I625-S627 VanDerWaalsContact C-N 3.35Å; I625-S627 PolarHBondContact O-N 3.48Å; S627-L629 PolarHBondContact O-N 3.45Å; S627-N630 WeakPolarHBondContact O-CB 3.42Å; S627-N630 PolarHBondContact O-N 2.83Å; S627-N630 VanDerWaalsContact O-N 3.11Å; S627-A631 PolarHBondContact O-N 3.08Å
628	D	94.8	Very high	94.8	Very high	23 Å²	23	50.5 Å²	50.5	12%	0.123	26%	0.263	C	S	.	.	H	α-helix	trans	-70.1	-32	178.9	-65.9	-38.6	0	0	0	112.5	S581 Q624 I625 T632	S581-D628 WeakPolarHBondContact CB-OD2 3.34Å; Q624-D628 PolarHBondContact NE2-OD1 2.86Å; Q624-D628 VanDerWaalsContact NE2-OD1 3.07Å; Q624-D628 PolarHBondContact NE2-OD2 2.92Å; Q624-D628 PolarHBondContact O-N 2.95Å; I625-D628 PolarHBondContact O-N 3Å; D628-T632 WeakPolarHBondContact O-CB 3.5Å; D628-T632 PolarHBondContact O-N 3.3Å; D628-T632 PolarHBondContact O-OG1 2.87Å
629	L	95.8	Very high	94.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69.4	-33.8	169.1	-68.3	169.3	0	0	0	111.9	L594 I625 F626 S627 Y633 F645 F674	L594-L629 HydrophobicContact CD1-CD1 4.2Å; L594-L629 HydrophobicContact CD2-CD1 4.03Å; I625-L629 HydrophobicContact CG2-CD1 3.84Å; I625-L629 HydrophobicContact CG2-CG 4.43Å; I625-L629 WeakPolarHBondContact O-CB 3.09Å; I625-L629 VanDerWaalsContact O-CG 3.26Å; I625-L629 WeakPolarHBondContact O-CG 3.24Å; I625-L629 PolarHBondContact O-N 3.07Å; F626-L629 HydrophobicContact CD1-CD1 3.68Å; F626-L629 HydrophobicContact CE1-CD1 3.79Å; S627-L629 PolarHBondContact O-N 3.45Å; L629-Y633 VanDerWaalsContact O-CB 3.29Å; L629-Y633 WeakPolarHBondContact O-CB 3.43Å; L629-Y633 PolarHBondContact O-N 2.68Å; L629-F645 HydrophobicContact CD2-CE1 4.47Å; L629-F645 HydrophobicContact CD2-CZ 3.75Å; L629-F674 HydrophobicContact CB-CD2 3.87Å; L629-F674 HydrophobicContact CB-CE2 3.97Å
630	N	95.1	Very high	94.3	Very high	16 Å²	16	59.5 Å²	59.5	9%	0.086	31%	0.308	C	S	.	.	H	α-helix	trans	-66.2	-46.2	170.9	-178.9	-102.8	0	0	0	111.4	F626 S627 T632 Y633 R634 F674 G676	F626-N630 WeakPolarHBondContact O-CB 3.32Å; F626-N630 PolarHBondContact O-N 2.88Å; S627-N630 WeakPolarHBondContact O-CB 3.42Å; S627-N630 PolarHBondContact O-N 2.83Å; S627-N630 VanDerWaalsContact O-N 3.11Å; N630-T632 VanDerWaalsContact C-N 3.3Å; N630-T632 PolarHBondContact O-N 2.92Å; N630-Y633 PolarHBondContact O-N 2.76Å; N630-Y633 VanDerWaalsContact O-N 3.17Å; N630-R634 WeakPolarHBondContact O-CG 3.47Å; N630-R634 PolarHBondContact O-N 3.19Å; N630-R634 PolarHBondContact OD1-NE 3.08Å; N630-R634 PolarHBondContact OD1-NH2 3.36Å; N630-F674 WeakPolarHBondContact CB-O 3.38Å; N630-F674 PolarHBondContact ND2-O 3Å; N630-G676 PolarHBondContact ND2-N 3.08Å
631	A	94.8	Very high	94	Very high	35 Å²	35	58.8 Å²	58.8	29%	0.289	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-40.9	175.2	0	0	0	0	0	111.7	L583 S627 T635	L583-A631 HydrophobicContact CD2-CB 3.92Å; S627-A631 PolarHBondContact O-N 3.08Å; A631-T635 PolarHBondContact O-N 3.18Å; A631-T635 PolarHBondContact O-OG1 3.37Å
632	T	93.7	Very high	93.8	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-54.6	170.2	-55.7	0	0	0	0	110.7	L587 K590 D628 N630 R634 T635 I636 F645	L587-T632 HydrophobicContact CD2-CG2 3.58Å; K590-T632 HydrophobicContact CD-CG2 3.45Å; K590-T632 VanDerWaalsContact CD-CG2 3.45Å; K590-T632 VanDerWaalsContact CE-OG1 3.31Å; K590-T632 WeakPolarHBondContact CE-OG1 3.4Å; K590-T632 PolarHBondContact NZ-OG1 2.69Å; D628-T632 WeakPolarHBondContact O-CB 3.5Å; D628-T632 PolarHBondContact O-N 3.3Å; D628-T632 PolarHBondContact O-OG1 2.87Å; N630-T632 VanDerWaalsContact C-N 3.3Å; N630-T632 PolarHBondContact O-N 2.92Å; T632-R634 VanDerWaalsContact C-N 3.34Å; T632-R634 PolarHBondContact O-N 3.34Å; T632-T635 WeakPolarHBondContact O-CA 3.23Å; T632-T635 WeakPolarHBondContact O-CB 3.01Å; T632-T635 PolarHBondContact O-N 2.92Å; T632-I636 PolarHBondContact O-N 3.23Å; T632-F645 HydrophobicContact CG2-CE1 4.25Å; T632-F645 HydrophobicContact CG2-CE2 4.34Å; T632-F645 HydrophobicContact CG2-CZ 3.8Å
633	Y	94.9	Very high	93.7	Very high	56 Å²	56	59.2 Å²	59.2	22%	0.22	30%	0.303	C	S	.	.	H	α-helix	trans	-56.8	-42.6	-178.2	169.8	-108.6	0	0	0	112.8	L629 N630 T635 I636 S642 F645 K646	L629-Y633 VanDerWaalsContact O-CB 3.29Å; L629-Y633 WeakPolarHBondContact O-CB 3.43Å; L629-Y633 PolarHBondContact O-N 2.68Å; N630-Y633 PolarHBondContact O-N 2.76Å; N630-Y633 VanDerWaalsContact O-N 3.17Å; Y633-T635 PolarHBondContact O-N 3.09Å; Y633-I636 PolarHBondContact O-N 2.75Å; Y633-S642 WeakPolarHBondContact CE2-O 3.46Å; Y633-F645 HydrophobicContact CD2-CD1 4.31Å; Y633-K646 HydrophobicContact CD2-CB 4.15Å; Y633-K646 HydrophobicContact CE2-CB 3.71Å; Y633-K646 HydrophobicContact CE2-CD 3.97Å; Y633-K646 HydrophobicContact CE2-CG 4.48Å; Y633-K646 WeakPolarHBondContact OH-CD 3.33Å
634	R	93.6	Very high	93.5	Very high	158 Å²	158	59.3 Å²	59.3	60%	0.596	30%	0.301	S	S	*	.	H	α-helix	trans	-65.2	-20.7	175	-68.9	-175.7	-164.2	-94	7.9	114	N630 T632 G676	N630-R634 WeakPolarHBondContact O-CG 3.47Å; N630-R634 PolarHBondContact O-N 3.19Å; N630-R634 PolarHBondContact OD1-NE 3.08Å; N630-R634 PolarHBondContact OD1-NH2 3.36Å; T632-R634 VanDerWaalsContact C-N 3.34Å; T632-R634 PolarHBondContact O-N 3.34Å; R634-G676 PolarHBondContact NH2-O 3.18Å
635	T	93.6	Very high	93.5	Very high	102 Å²	102	55.1 Å²	55.1	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-84.7	-16.1	179.9	-56.1	0	0	0	0	112.3	A631 T632 Y633 Q637	A631-T635 PolarHBondContact O-N 3.18Å; A631-T635 PolarHBondContact O-OG1 3.37Å; T632-T635 WeakPolarHBondContact O-CA 3.23Å; T632-T635 WeakPolarHBondContact O-CB 3.01Å; T632-T635 PolarHBondContact O-N 2.92Å; Y633-T635 PolarHBondContact O-N 3.09Å; T635-Q637 PolarHBondContact O-N 3.4Å
636	I	92.5	Very high	93.4	Very high	25 Å²	25	57.3 Å²	57.3	13%	0.128	29%	0.291	C	S	.	.			trans	-75.7	109.4	-177	-53.6	169.9	0	0	0	110.5	L587 T632 Y633 Q641 F645	L587-I636 HydrophobicContact CD1-CD1 3.71Å; L587-I636 HydrophobicContact CD1-CG1 3.9Å; L587-I636 HydrophobicContact CD1-CG2 4.32Å; L587-I636 HydrophobicContact CD2-CD1 3.79Å; L587-I636 HydrophobicContact CD2-CG1 3.96Å; L587-I636 HydrophobicContact CG-CD1 4.41Å; T632-I636 PolarHBondContact O-N 3.23Å; Y633-I636 PolarHBondContact O-N 2.75Å; I636-Q641 HydrophobicContact CG2-CB 3.79Å; I636-F645 HydrophobicContact CD1-CB 3.85Å; I636-F645 HydrophobicContact CD1-CD1 3.92Å; I636-F645 HydrophobicContact CD1-CD2 4.49Å; I636-F645 HydrophobicContact CD1-CG 3.85Å
637	Q	90.3	Very high	93.4	Very high	199 Å²	199	62 Å²	62	93%	0.93	31%	0.313	S	S	*	.			trans	-73.9	-28	179.5	-61.2	-177.4	3.3	0	0	113.5	T635 H639	T635-Q637 PolarHBondContact O-N 3.4Å; Q637-H639 PolarHBondContact O-N 2.8Å
638	G	92.1	Very high	93.3	Very high	27 Å²	27	62.5 Å²	62.5	28%	0.278	31%	0.309	S	S	.	.			trans	-84.6	110.4	-178.6	0	0	0	0	0	112.8	L640 Q641 S642	G638-L640 VanDerWaalsContact C-N 3.27Å; G638-L640 PolarHBondContact O-N 2.82Å; G638-Q641 WeakPolarHBondContact O-CA 3.4Å; G638-Q641 WeakPolarHBondContact O-CB 3.39Å; G638-Q641 PolarHBondContact O-N 2.86Å; G638-S642 PolarHBondContact O-N 3.09Å
639	H	90.3	Very high	93.3	Very high	154 Å²	154	61.4 Å²	61.4	71%	0.713	30%	0.303	S	S	*	.	H	α-helix	trans	-52.6	-39.1	-179.5	-177.5	-64.9	0	0	0	114.1	Q637 Q641 S642 E643	Q637-H639 PolarHBondContact O-N 2.8Å; H639-Q641 VanDerWaalsContact C-N 3.35Å; H639-S642 WeakPolarHBondContact CA-OG 3.2Å; H639-S642 PolarHBondContact O-OG 2.85Å; H639-S642 VanDerWaalsContact O-OG 3.13Å; H639-E643 WeakPolarHBondContact O-CB 3.37Å; H639-E643 PolarHBondContact O-N 2.76Å; H639-E643 VanDerWaalsContact O-N 3.13Å
640	L	90.8	Very high	93.3	Very high	123 Å²	123	63.1 Å²	63.1	64%	0.644	31%	0.311	S	S	*	.	H	α-helix	trans	-68.5	-35.7	177.7	-177.9	61	0	0	0	111.9	G638 N644	G638-L640 VanDerWaalsContact C-N 3.27Å; G638-L640 PolarHBondContact O-N 2.82Å; L640-N644 WeakPolarHBondContact O-CB 3.43Å; L640-N644 PolarHBondContact O-N 2.62Å; L640-N644 VanDerWaalsContact O-N 3.17Å; L640-N644 PolarHBondContact O-ND2 2.89Å
641	Q	89.3	Confident	93.3	Very high	80 Å²	80	65.9 Å²	65.9	37%	0.374	33%	0.329	S	S	.	.	H	α-helix	trans	-75	-39.1	178.6	-68.1	176.9	-38.9	0	0	111.6	I636 G638 H639 F645	I636-Q641 HydrophobicContact CG2-CB 3.79Å; G638-Q641 WeakPolarHBondContact O-CA 3.4Å; G638-Q641 WeakPolarHBondContact O-CB 3.39Å; G638-Q641 PolarHBondContact O-N 2.86Å; H639-Q641 VanDerWaalsContact C-N 3.35Å; Q641-F645 VanDerWaalsContact O-CB 3.29Å; Q641-F645 WeakPolarHBondContact O-CB 3.4Å; Q641-F645 PolarHBondContact O-N 3.38Å
642	S	92.2	Very high	93.3	Very high	16 Å²	16	64.2 Å²	64.2	11%	0.112	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-43.7	178.9	64.1	0	0	0	0	111.6	Y633 G638 H639 F645 K646	Y633-S642 WeakPolarHBondContact CE2-O 3.46Å; G638-S642 PolarHBondContact O-N 3.09Å; H639-S642 WeakPolarHBondContact CA-OG 3.2Å; H639-S642 PolarHBondContact O-OG 2.85Å; H639-S642 VanDerWaalsContact O-OG 3.13Å; S642-F645 PolarHBondContact O-N 3.15Å; S642-K646 VanDerWaalsContact O-CB 3.3Å; S642-K646 WeakPolarHBondContact O-CB 3.43Å; S642-K646 PolarHBondContact O-N 3.18Å
643	E	93.3	Very high	93.4	Very high	55 Å²	55	64.2 Å²	64.2	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-66.6	-40.3	176.4	-173.3	56.5	-145	0	0	111.9	H639 K646 Q647	H639-E643 WeakPolarHBondContact O-CB 3.37Å; H639-E643 PolarHBondContact O-N 2.76Å; H639-E643 VanDerWaalsContact O-N 3.13Å; E643-K646 PolarHBondContact O-N 3.22Å; E643-K646 IonicContact OE1-NZ 3.53Å; E643-K646 PolarHBondContact OE1-NZ 3.08Å; E643-K646 IonicContact OE2-NZ 2.72Å; E643-K646 PolarHBondContact OE2-NZ 2.72Å; E643-Q647 WeakPolarHBondContact O-CB 3.17Å; E643-Q647 VanDerWaalsContact O-CG 3.3Å; E643-Q647 WeakPolarHBondContact O-CG 3.37Å; E643-Q647 PolarHBondContact O-N 3.46Å; E643-Q647 PolarHBondContact OE1-NE2 3.08Å; E643-Q647 VanDerWaalsContact OE1-NE2 3.16Å
644	N	91.4	Very high	93.4	Very high	36 Å²	36	68 Å²	68	19%	0.193	33%	0.328	C	S	.	.	H	α-helix	trans	-61.1	-44.9	172.8	-93.1	-70.6	0	0	0	112.8	L640 Q647 R648	L640-N644 WeakPolarHBondContact O-CB 3.43Å; L640-N644 PolarHBondContact O-N 2.62Å; L640-N644 VanDerWaalsContact O-N 3.17Å; L640-N644 PolarHBondContact O-ND2 2.89Å; N644-Q647 PolarHBondContact O-N 2.97Å; N644-R648 WeakPolarHBondContact O-CD 3.44Å; N644-R648 WeakPolarHBondContact O-CG 3.3Å; N644-R648 PolarHBondContact O-N 3.04Å; N644-R648 VanDerWaalsContact O-N 3.1Å
645	F	95.3	Very high	93.4	Very high	5 Å²	5	60.5 Å²	60.5	2%	0.022	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-48.2	175.8	-178	-98	0	0	0	110.8	L587 K590 I591 L629 T632 Y633 I636 Q641 S642 Q647 R648 V649 F674	L587-F645 HydrophobicContact CB-CD2 4.16Å; L587-F645 HydrophobicContact CB-CE2 4.47Å; L587-F645 HydrophobicContact CD2-CD2 4.11Å; L587-F645 HydrophobicContact CD2-CE2 4.08Å; K590-F645 HydrophobicContact CB-CE2 4.23Å; I591-F645 HydrophobicContact CD1-CD2 3.63Å; I591-F645 HydrophobicContact CD1-CE2 3.66Å; I591-F645 HydrophobicContact CD1-CG 4.37Å; I591-F645 HydrophobicContact CD1-CZ 4.44Å; I591-F645 HydrophobicContact CG1-CD2 3.8Å; I591-F645 HydrophobicContact CG1-CE2 3.93Å; L629-F645 HydrophobicContact CD2-CE1 4.47Å; L629-F645 HydrophobicContact CD2-CZ 3.75Å; T632-F645 HydrophobicContact CG2-CE1 4.25Å; T632-F645 HydrophobicContact CG2-CE2 4.34Å; T632-F645 HydrophobicContact CG2-CZ 3.8Å; Y633-F645 HydrophobicContact CD2-CD1 4.31Å; I636-F645 HydrophobicContact CD1-CB 3.85Å; I636-F645 HydrophobicContact CD1-CD1 3.92Å; I636-F645 HydrophobicContact CD1-CD2 4.49Å; I636-F645 HydrophobicContact CD1-CG 3.85Å; Q641-F645 VanDerWaalsContact O-CB 3.29Å; Q641-F645 WeakPolarHBondContact O-CB 3.4Å; Q641-F645 PolarHBondContact O-N 3.38Å; S642-F645 PolarHBondContact O-N 3.15Å; F645-Q647 PolarHBondContact O-N 3.02Å; F645-R648 PolarHBondContact O-N 3.45Å; F645-V649 HydrophobicContact CD1-CG2 4.42Å; F645-V649 HydrophobicContact CE1-CG2 4.21Å; F645-V649 HydrophobicContact CZ-CG2 4.46Å; F645-V649 WeakPolarHBondContact O-CG2 3.3Å; F645-V649 PolarHBondContact O-N 3.09Å; F645-F674 HydrophobicContact CD1-CZ 4.5Å; F645-F674 HydrophobicContact CE1-CE2 4.23Å; F645-F674 HydrophobicContact CE1-CZ 4.47Å
646	K	95.8	Very high	93.5	Very high	46 Å²	46	55.7 Å²	55.7	20%	0.2	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-43.8	175.2	162.1	168.5	160.1	-82.4	0	112.7	Y633 S642 E643 V649 M650 F674 L675	Y633-K646 HydrophobicContact CD2-CB 4.15Å; Y633-K646 HydrophobicContact CE2-CB 3.71Å; Y633-K646 HydrophobicContact CE2-CD 3.97Å; Y633-K646 HydrophobicContact CE2-CG 4.48Å; Y633-K646 WeakPolarHBondContact OH-CD 3.33Å; S642-K646 VanDerWaalsContact O-CB 3.3Å; S642-K646 WeakPolarHBondContact O-CB 3.43Å; S642-K646 PolarHBondContact O-N 3.18Å; E643-K646 PolarHBondContact O-N 3.22Å; E643-K646 IonicContact OE1-NZ 3.53Å; E643-K646 PolarHBondContact OE1-NZ 3.08Å; E643-K646 IonicContact OE2-NZ 2.72Å; E643-K646 PolarHBondContact OE2-NZ 2.72Å; K646-V649 PolarHBondContact O-N 2.88Å; K646-M650 HydrophobicContact CG-CG 4.46Å; K646-M650 WeakPolarHBondContact O-CB 3.47Å; K646-M650 VanDerWaalsContact O-CG 3.26Å; K646-M650 WeakPolarHBondContact O-CG 3.48Å; K646-M650 PolarHBondContact O-N 3.29Å; K646-F674 HydrophobicContact CB-CE1 4.35Å; K646-F674 HydrophobicContact CB-CZ 4.36Å; K646-F674 HydrophobicContact CG-CE1 4.31Å; K646-L675 HydrophobicContact CD-CD2 4.29Å
647	Q	95.5	Very high	93.6	Very high	99 Å²	99	58.3 Å²	58.3	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-45.4	177.4	-75.1	174.4	16.5	0	0	111.8	E643 N644 F645 V649 M650 T651	E643-Q647 WeakPolarHBondContact O-CB 3.17Å; E643-Q647 VanDerWaalsContact O-CG 3.3Å; E643-Q647 WeakPolarHBondContact O-CG 3.37Å; E643-Q647 PolarHBondContact O-N 3.46Å; E643-Q647 PolarHBondContact OE1-NE2 3.08Å; E643-Q647 VanDerWaalsContact OE1-NE2 3.16Å; N644-Q647 PolarHBondContact O-N 2.97Å; F645-Q647 PolarHBondContact O-N 3.02Å; Q647-V649 PolarHBondContact O-N 3.03Å; Q647-M650 PolarHBondContact O-N 3.42Å; Q647-M650 VanDerWaalsContact O-N 3.14Å; Q647-T651 PolarHBondContact O-N 3.04Å; Q647-T651 PolarHBondContact O-OG1 3Å
648	R	93.8	Very high	93.8	Very high	51 Å²	51	54.7 Å²	54.7	19%	0.192	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-40.9	177.5	-68.8	158.9	174.7	-102.5	1.4	112.8	I591 N644 F645 T651 C652 V763	I591-R648 HydrophobicContact CD1-CB 3.77Å; I591-R648 HydrophobicContact CG1-CB 4.34Å; I591-R648 HydrophobicContact CG2-CB 4.21Å; N644-R648 WeakPolarHBondContact O-CD 3.44Å; N644-R648 WeakPolarHBondContact O-CG 3.3Å; N644-R648 PolarHBondContact O-N 3.04Å; N644-R648 VanDerWaalsContact O-N 3.1Å; F645-R648 PolarHBondContact O-N 3.45Å; R648-T651 PolarHBondContact O-N 3.22Å; R648-C652 PolarHBondContact O-N 3.46Å; R648-C652 PolarHBondContact O-SG 3.23Å; R648-C652 VanDerWaalsContact O-SG 3.39Å; R648-V763 VanDerWaalsContact NH2-CG1 3.31Å; R648-V763 VanDerWaalsContact NH2-CG2 3.33Å
649	V	96.1	Very high	93.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-42.6	173.2	177.6	0	0	0	0	111.3	I591 L594 F626 F645 K646 Q647 T651 C652 F653 F674	I591-V649 HydrophobicContact CD1-CG2 3.91Å; L594-V649 HydrophobicContact CD2-CB 4.26Å; L594-V649 HydrophobicContact CD2-CG1 4.15Å; L594-V649 HydrophobicContact CD2-CG2 3.84Å; F626-V649 HydrophobicContact CD1-CG1 4.23Å; F626-V649 HydrophobicContact CE1-CG1 3.78Å; F645-V649 HydrophobicContact CD1-CG2 4.42Å; F645-V649 HydrophobicContact CE1-CG2 4.21Å; F645-V649 HydrophobicContact CZ-CG2 4.46Å; F645-V649 WeakPolarHBondContact O-CG2 3.3Å; F645-V649 PolarHBondContact O-N 3.09Å; K646-V649 PolarHBondContact O-N 2.88Å; Q647-V649 PolarHBondContact O-N 3.03Å; V649-T651 VanDerWaalsContact C-N 3.32Å; V649-T651 PolarHBondContact O-N 3.17Å; V649-C652 WeakPolarHBondContact O-CB 3.16Å; V649-C652 PolarHBondContact O-N 3.19Å; V649-C652 VanDerWaalsContact O-N 3.13Å; V649-F653 HydrophobicContact CG1-CE2 4.08Å; V649-F653 PolarHBondContact O-N 2.66Å; V649-F674 HydrophobicContact CB-CD1 4.31Å; V649-F674 HydrophobicContact CB-CE1 3.72Å; V649-F674 HydrophobicContact CB-CE2 4.21Å; V649-F674 HydrophobicContact CB-CZ 3.67Å; V649-F674 HydrophobicContact CG1-CD1 3.62Å; V649-F674 HydrophobicContact CG1-CD2 3.93Å; V649-F674 HydrophobicContact CG1-CE1 3.54Å; V649-F674 HydrophobicContact CG1-CE2 3.88Å; V649-F674 HydrophobicContact CG1-CG 3.82Å; V649-F674 HydrophobicContact CG1-CZ 3.69Å; V649-F674 HydrophobicContact CG2-CE1 4.4Å; V649-F674 HydrophobicContact CG2-CE2 4.08Å; V649-F674 HydrophobicContact CG2-CZ 3.84Å
650	M	95.4	Very high	93.9	Very high	37 Å²	37	51.7 Å²	51.7	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-33	176.6	-73.7	-56.7	-48.2	0	0	113.4	K646 Q647 C652 F653 R654 Q671	K646-M650 HydrophobicContact CG-CG 4.46Å; K646-M650 WeakPolarHBondContact O-CB 3.47Å; K646-M650 VanDerWaalsContact O-CG 3.26Å; K646-M650 WeakPolarHBondContact O-CG 3.48Å; K646-M650 PolarHBondContact O-N 3.29Å; Q647-M650 PolarHBondContact O-N 3.42Å; Q647-M650 VanDerWaalsContact O-N 3.14Å; M650-C652 VanDerWaalsContact C-N 3.27Å; M650-C652 PolarHBondContact O-N 2.97Å; M650-F653 HydrophobicContact CE-CD2 4.46Å; M650-F653 PolarHBondContact O-N 2.92Å; M650-F653 HydrophobicContact SD-CD2 4.05Å; M650-R654 PolarHBondContact O-N 3.11Å; M650-R654 VanDerWaalsContact O-N 3.13Å; M650-Q671 HydrophobicContact CE-CG 4.08Å; M650-Q671 HydrophobicContact SD-CG 3.98Å
651	T	95.3	Very high	93.9	Very high	74 Å²	74	46.2 Å²	46.2	45%	0.454	23%	0.229	S	C	.	.	H	α-helix	trans	-64.8	-31.3	173.9	-49.8	0	0	0	0	112.1	Q647 R648 V649 R654 A655 W760	Q647-T651 PolarHBondContact O-N 3.04Å; Q647-T651 PolarHBondContact O-OG1 3Å; R648-T651 PolarHBondContact O-N 3.22Å; V649-T651 VanDerWaalsContact C-N 3.32Å; V649-T651 PolarHBondContact O-N 3.17Å; T651-R654 PolarHBondContact O-N 3.36Å; T651-A655 PolarHBondContact O-N 3.19Å; T651-W760 HydrophobicContact CG2-CZ3 3.89Å
652	C	95.1	Very high	94.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-45.9	173.7	-59.1	0	0	0	0	111.2	L594 R648 V649 M650 R654 A655 W656	L594-C652 HydrophobicContact CD2-CB 4.39Å; R648-C652 PolarHBondContact O-N 3.46Å; R648-C652 PolarHBondContact O-SG 3.23Å; R648-C652 VanDerWaalsContact O-SG 3.39Å; V649-C652 WeakPolarHBondContact O-CB 3.16Å; V649-C652 PolarHBondContact O-N 3.19Å; V649-C652 VanDerWaalsContact O-N 3.13Å; M650-C652 VanDerWaalsContact C-N 3.27Å; M650-C652 PolarHBondContact O-N 2.97Å; C652-R654 PolarHBondContact O-N 3.34Å; C652-A655 PolarHBondContact O-N 2.96Å; C652-W656 VanDerWaalsContact O-CD1 3.22Å; C652-W656 VanDerWaalsContact O-CG 3.3Å; C652-W656 PolarHBondContact O-N 3.41Å
653	F	96.1	Very high	94.3	Very high	6 Å²	6	46 Å²	46	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-44.5	175.5	-73.5	-57.7	0	0	0	112.5	F626 V649 M650 A655 W656 E657 L667 L670 Q671 F674	F626-F653 HydrophobicContact CD1-CE2 4.07Å; F626-F653 AromaticContact CD1-CZ 3.59Å; F626-F653 HydrophobicContact CD1-CZ 3.59Å; F626-F653 HydrophobicContact CD2-CE1 4.21Å; F626-F653 AromaticContact CD2-CZ 3.89Å; F626-F653 HydrophobicContact CD2-CZ 3.89Å; F626-F653 HydrophobicContact CE1-CE1 4.04Å; F626-F653 AromaticContact CE1-CE2 3.74Å; F626-F653 HydrophobicContact CE1-CE2 3.74Å; F626-F653 AromaticContact CE1-CZ 3.33Å; F626-F653 HydrophobicContact CE1-CZ 3.33Å; F626-F653 AromaticContact CE2-CE1 3.65Å; F626-F653 HydrophobicContact CE2-CE1 3.65Å; F626-F653 AromaticContact CE2-CZ 3.63Å; F626-F653 HydrophobicContact CE2-CZ 3.63Å; F626-F653 AromaticContact CG-CZ 3.87Å; F626-F653 HydrophobicContact CG-CZ 3.87Å; F626-F653 HydrophobicContact CZ-CD1 4.46Å; F626-F653 AromaticContact CZ-CE1 3.56Å; F626-F653 HydrophobicContact CZ-CE1 3.56Å; F626-F653 HydrophobicContact CZ-CE2 4.1Å; F626-F653 AromaticContact CZ-CZ 3.35Å; F626-F653 HydrophobicContact CZ-CZ 3.35Å; V649-F653 HydrophobicContact CG1-CE2 4.08Å; V649-F653 PolarHBondContact O-N 2.66Å; M650-F653 HydrophobicContact CE-CD2 4.46Å; M650-F653 PolarHBondContact O-N 2.92Å; M650-F653 HydrophobicContact SD-CD2 4.05Å; F653-A655 VanDerWaalsContact C-N 3.35Å; F653-A655 PolarHBondContact O-N 2.74Å; F653-W656 HydrophobicContact CD1-CE3 4.47Å; F653-W656 PolarHBondContact O-N 2.89Å; F653-E657 WeakPolarHBondContact O-CB 3.45Å; F653-E657 PolarHBondContact O-N 3.5Å; F653-L667 HydrophobicContact CD1-CD2 4.49Å; F653-L670 HydrophobicContact CE1-CB 3.53Å; F653-L670 HydrophobicContact CE1-CD1 4.36Å; F653-L670 HydrophobicContact CZ-CB 3.85Å; F653-Q671 HydrophobicContact CD2-CB 4.37Å; F653-Q671 HydrophobicContact CE2-CB 4.24Å; F653-Q671 HydrophobicContact CZ-CB 4.43Å; F653-F674 HydrophobicContact CE2-CB 4.12Å; F653-F674 HydrophobicContact CE2-CD1 4.32Å; F653-F674 HydrophobicContact CE2-CG 4.43Å; F653-F674 HydrophobicContact CZ-CB 4.39Å
654	R	95	Very high	94.3	Very high	134 Å²	134	49.5 Å²	49.5	51%	0.506	25%	0.25	S	C	.	.	H	α-helix	trans	-61.5	-40.5	175.2	-67.1	-51.9	-170	-173.5	-0.9	112.6	M650 T651 C652 W656 E657 D658	M650-R654 PolarHBondContact O-N 3.11Å; M650-R654 VanDerWaalsContact O-N 3.13Å; T651-R654 PolarHBondContact O-N 3.36Å; C652-R654 PolarHBondContact O-N 3.34Å; R654-W656 PolarHBondContact O-N 3.36Å; R654-E657 WeakPolarHBondContact CD-OE2 3.34Å; R654-E657 IonicContact CZ-OE2 2.73Å; R654-E657 IonicContact NE-OE2 3.14Å; R654-E657 VanDerWaalsContact NH1-CD 3.26Å; R654-E657 IonicContact NH1-OE1 2.62Å; R654-E657 PolarHBondContact NH1-OE1 2.94Å; R654-E657 IonicContact NH1-OE2 2.7Å; R654-E657 PolarHBondContact NH1-OE2 3.48Å; R654-E657 WeakPolarHBondContact O-CB 3.23Å; R654-E657 PolarHBondContact O-N 2.89Å; R654-D658 WeakPolarHBondContact O-CB 3.38Å; R654-D658 PolarHBondContact O-N 3.03Å
655	A	93.2	Very high	94.5	Very high	2 Å²	2	52.5 Å²	52.5	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-40.4	174.4	0	0	0	0	0	112.3	T651 C652 F653 E657 D658 W659 W760	T651-A655 PolarHBondContact O-N 3.19Å; C652-A655 PolarHBondContact O-N 2.96Å; F653-A655 VanDerWaalsContact C-N 3.35Å; F653-A655 PolarHBondContact O-N 2.74Å; A655-E657 VanDerWaalsContact C-N 3.33Å; A655-D658 PolarHBondContact O-N 3.39Å; A655-W659 HydrophobicContact CB-CD2 4.26Å; A655-W659 HydrophobicContact CB-CE3 3.83Å; A655-W659 HydrophobicContact CB-CH2 4.28Å; A655-W659 HydrophobicContact CB-CZ3 3.83Å; A655-W659 WeakPolarHBondContact O-CB 3.42Å; A655-W659 PolarHBondContact O-N 3.22Å; A655-W760 HydrophobicContact CB-CH2 3.77Å; A655-W760 HydrophobicContact CB-CZ2 4.13Å
656	W	94.9	Very high	94.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.8	-28.5	-179.6	-61.4	-0.1	0	0	0	113.3	L594 V597 S598 L601 L622 F626 C652 F653 R654 W659 A660 I661 L667 L670	L594-W656 HydrophobicContact CD1-CH2 4.47Å; V597-W656 HydrophobicContact CG1-CH2 4.34Å; V597-W656 HydrophobicContact CG1-CZ2 4.21Å; S598-W656 PolarHBondContact OG-NE1 3.34Å; L601-W656 HydrophobicContact CD1-CD2 4.46Å; L601-W656 HydrophobicContact CD1-CH2 4.03Å; L601-W656 HydrophobicContact CD1-CZ2 3.78Å; L601-W656 HydrophobicContact CD1-CZ3 4.46Å; L622-W656 HydrophobicContact CD1-CZ3 4.1Å; L622-W656 HydrophobicContact CD2-CH2 3.52Å; L622-W656 HydrophobicContact CD2-CZ3 3.74Å; F626-W656 AromaticContact CE2-CH2 3.91Å; F626-W656 HydrophobicContact CE2-CH2 3.91Å; F626-W656 AromaticContact CE2-CZ3 3.7Å; F626-W656 HydrophobicContact CE2-CZ3 3.7Å; F626-W656 AromaticContact CZ-CH2 3.75Å; F626-W656 HydrophobicContact CZ-CH2 3.75Å; F626-W656 AromaticContact CZ-CZ3 3.82Å; F626-W656 HydrophobicContact CZ-CZ3 3.82Å; C652-W656 VanDerWaalsContact O-CD1 3.22Å; C652-W656 VanDerWaalsContact O-CG 3.3Å; C652-W656 PolarHBondContact O-N 3.41Å; F653-W656 HydrophobicContact CD1-CE3 4.47Å; F653-W656 PolarHBondContact O-N 2.89Å; R654-W656 PolarHBondContact O-N 3.36Å; W656-W659 AromaticContact CD1-CE3 3.8Å; W656-W659 AromaticContact CD1-CZ3 3.84Å; W656-A660 PolarHBondContact O-N 3.29Å; W656-A660 VanDerWaalsContact O-N 3.12Å; W656-I661 HydrophobicContact CB-CB 4.41Å; W656-I661 PolarHBondContact O-N 2.91Å; W656-L667 HydrophobicContact CB-CD1 4.32Å; W656-L667 HydrophobicContact CB-CD2 3.97Å; W656-L667 HydrophobicContact CE3-CD2 3.94Å; W656-L670 HydrophobicContact CZ3-CD1 4.48Å
657	E	94.1	Very high	94.4	Very high	81 Å²	81	52.5 Å²	52.5	38%	0.379	27%	0.271	S	S	.	.	H	α-helix	trans	-67.8	-55.5	169.4	-176.2	-176.5	-168.3	0	0	110.6	F653 R654 A655 W659 A660 L667	F653-E657 WeakPolarHBondContact O-CB 3.45Å; F653-E657 PolarHBondContact O-N 3.5Å; R654-E657 WeakPolarHBondContact CD-OE2 3.34Å; R654-E657 IonicContact CZ-OE2 2.73Å; R654-E657 IonicContact NE-OE2 3.14Å; R654-E657 VanDerWaalsContact NH1-CD 3.26Å; R654-E657 IonicContact NH1-OE1 2.62Å; R654-E657 PolarHBondContact NH1-OE1 2.94Å; R654-E657 IonicContact NH1-OE2 2.7Å; R654-E657 PolarHBondContact NH1-OE2 3.48Å; R654-E657 WeakPolarHBondContact O-CB 3.23Å; R654-E657 PolarHBondContact O-N 2.89Å; A655-E657 VanDerWaalsContact C-N 3.33Å; E657-W659 PolarHBondContact O-N 2.58Å; E657-A660 PolarHBondContact O-N 3.45Å; E657-L667 HydrophobicContact CB-CD1 4.03Å
658	D	94.1	Very high	94.4	Very high	122 Å²	122	51.4 Å²	51.4	65%	0.652	27%	0.268	S	S	*	.	H	α-helix	trans	-51.9	-40.9	174.8	-70.3	-26.3	0	0	0	112.4	R654 A655 K759	R654-D658 WeakPolarHBondContact O-CB 3.38Å; R654-D658 PolarHBondContact O-N 3.03Å; A655-D658 PolarHBondContact O-N 3.39Å; D658-K759 IonicContact OD2-NZ 2.66Å
659	W	93.2	Very high	94.5	Very high	52 Å²	52	52.2 Å²	52.2	20%	0.197	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-5.4	-176.4	-67.2	-34.1	0	0	0	114.1	Y602 A655 W656 E657 I661 K759 W760	Y602-W659 HydrophobicContact CD1-CH2 4.4Å; Y602-W659 AromaticContact CD1-CZ2 3.91Å; Y602-W659 HydrophobicContact CD1-CZ2 3.91Å; Y602-W659 HydrophobicContact CD2-CB 4.38Å; Y602-W659 AromaticContact CD2-CD1 3.77Å; Y602-W659 AromaticContact CD2-CD2 3.51Å; Y602-W659 HydrophobicContact CD2-CD2 3.51Å; Y602-W659 AromaticContact CD2-CE2 3.31Å; Y602-W659 HydrophobicContact CD2-CE3 4.11Å; Y602-W659 AromaticContact CD2-CG 3.71Å; Y602-W659 HydrophobicContact CD2-CG 3.71Å; Y602-W659 HydrophobicContact CD2-CH2 4.21Å; Y602-W659 AromaticContact CD2-CZ2 3.64Å; Y602-W659 HydrophobicContact CD2-CZ2 3.64Å; Y602-W659 HydrophobicContact CD2-CZ3 4.44Å; Y602-W659 AromaticContact CD2-NE1 3.54Å; Y602-W659 HydrophobicContact CE1-CZ2 4.3Å; Y602-W659 AromaticContact CE2-CD1 3.47Å; Y602-W659 VanDerWaalsContact CE2-CD1 3.47Å; Y602-W659 HydrophobicContact CE2-CD2 4.02Å; Y602-W659 AromaticContact CE2-CE2 3.55Å; Y602-W659 AromaticContact CE2-CG 3.88Å; Y602-W659 HydrophobicContact CE2-CG 3.88Å; Y602-W659 HydrophobicContact CE2-CZ2 4.07Å; Y602-W659 AromaticContact CE2-NE1 3.25Å; Y602-W659 HydrophobicContact CG-CD2 4.17Å; Y602-W659 AromaticContact CG-CE2 3.77Å; Y602-W659 HydrophobicContact CG-CE3 4.43Å; Y602-W659 AromaticContact CG-CH2 3.86Å; Y602-W659 HydrophobicContact CG-CH2 3.86Å; Y602-W659 AromaticContact CG-CZ2 3.55Å; Y602-W659 HydrophobicContact CG-CZ2 3.55Å; Y602-W659 HydrophobicContact CG-CZ3 4.32Å; Y602-W659 AromaticContact CZ-NE1 3.81Å; A655-W659 HydrophobicContact CB-CD2 4.26Å; A655-W659 HydrophobicContact CB-CE3 3.83Å; A655-W659 HydrophobicContact CB-CH2 4.28Å; A655-W659 HydrophobicContact CB-CZ3 3.83Å; A655-W659 WeakPolarHBondContact O-CB 3.42Å; A655-W659 PolarHBondContact O-N 3.22Å; W656-W659 AromaticContact CD1-CE3 3.8Å; W656-W659 AromaticContact CD1-CZ3 3.84Å; E657-W659 PolarHBondContact O-N 2.58Å; W659-I661 VanDerWaalsContact C-N 3.28Å; W659-I661 HydrophobicContact CB-CD1 3.97Å; W659-I661 HydrophobicContact CB-CG1 3.69Å; W659-I661 HydrophobicContact CD2-CD1 4.16Å; W659-I661 HydrophobicContact CE3-CD1 3.44Å; W659-I661 VanDerWaalsContact CE3-CD1 3.44Å; W659-I661 HydrophobicContact CE3-CG1 4.4Å; W659-I661 HydrophobicContact CG-CD1 4.46Å; W659-I661 HydrophobicContact CZ3-CD1 4.09Å; W659-I661 PolarHBondContact O-N 3.17Å; W659-K759 HydrophobicContact CH2-CB 4.18Å; W659-K759 HydrophobicContact CH2-CD 3.83Å; W659-K759 HydrophobicContact CZ2-CB 3.94Å; W659-K759 HydrophobicContact CZ2-CD 3.19Å; W659-K759 HydrophobicContact CZ2-CG 4.16Å; W659-W760 HydrophobicContact CH2-CZ2 4.21Å; W659-W760 HydrophobicContact CZ3-CZ2 4.48Å
660	A	92.6	Very high	94.5	Very high	66 Å²	66	52.2 Å²	52.2	55%	0.545	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	41.2	-174.7	0	0	0	0	0	114.5	R615 W656 E657	R615-A660 PolarHBondContact NH2-O 2.65Å; W656-A660 PolarHBondContact O-N 3.29Å; W656-A660 VanDerWaalsContact O-N 3.12Å; E657-A660 PolarHBondContact O-N 3.45Å
661	I	90.6	Very high	94.5	Very high	8 Å²	8	53 Å²	53	4%	0.041	28%	0.276	C	S	.	.	S	Bend	trans	-73.3	-28.9	-179.2	-60.6	-176.4	0	0	0	111.5	L601 R615 W656 W659	L601-I661 HydrophobicContact CB-CD1 4.1Å; L601-I661 HydrophobicContact CB-CG2 4.14Å; L601-I661 HydrophobicContact CD2-CG2 4.15Å; R615-I661 PolarHBondContact NE-O 2.96Å; R615-I661 PolarHBondContact NH2-O 3.48Å; W656-I661 HydrophobicContact CB-CB 4.41Å; W656-I661 PolarHBondContact O-N 2.91Å; W659-I661 VanDerWaalsContact C-N 3.28Å; W659-I661 HydrophobicContact CB-CD1 3.97Å; W659-I661 HydrophobicContact CB-CG1 3.69Å; W659-I661 HydrophobicContact CD2-CD1 4.16Å; W659-I661 HydrophobicContact CE3-CD1 3.44Å; W659-I661 VanDerWaalsContact CE3-CD1 3.44Å; W659-I661 HydrophobicContact CE3-CG1 4.4Å; W659-I661 HydrophobicContact CG-CD1 4.46Å; W659-I661 HydrophobicContact CZ3-CD1 4.09Å; W659-I661 PolarHBondContact O-N 3.17Å
662	Y	94.9	Very high	94.5	Very high	10 Å²	10	51.8 Å²	51.8	4%	0.039	27%	0.267	C	S	.	.	S	Bend	trans	-141	160.3	170	-65	-73.7	0	0	0	111	L601 R615 E619 L622 F666 L667	L601-Y662 HydrophobicContact CD1-CE2 4.15Å; L601-Y662 HydrophobicContact CD2-CE2 4.15Å; L601-Y662 WeakPolarHBondContact CD2-OH 3.31Å; R615-Y662 HydrophobicContact CG-CE1 4.03Å; R615-Y662 PolarHBondContact O-OH 3.39Å; E619-Y662 HydrophobicContact CB-CE1 3.79Å; E619-Y662 HydrophobicContact CG-CD1 4.32Å; E619-Y662 HydrophobicContact CG-CE1 3.83Å; E619-Y662 PolarHBondContact N-OH 2.68Å; L622-Y662 HydrophobicContact CD1-CD2 4.21Å; L622-Y662 HydrophobicContact CD1-CE2 3.42Å; L622-Y662 VanDerWaalsContact CD1-CE2 3.42Å; Y662-F666 HydrophobicContact CD1-CD1 4.02Å; Y662-F666 AromaticContact CD1-CE1 3.93Å; Y662-F666 HydrophobicContact CD1-CE1 3.93Å; Y662-F666 HydrophobicContact CD2-CD1 4.31Å; Y662-F666 HydrophobicContact CD2-CE1 4.17Å; Y662-F666 HydrophobicContact CE1-CE1 4.34Å; Y662-F666 AromaticContact CG-CD1 3.72Å; Y662-F666 HydrophobicContact CG-CD1 3.72Å; Y662-F666 AromaticContact CG-CE1 3.85Å; Y662-F666 HydrophobicContact CG-CE1 3.85Å; Y662-L667 HydrophobicContact CD2-CD2 4.29Å
663	P	95.3	Very high	94.5	Very high	81 Å²	81	52 Å²	52	53%	0.526	27%	0.268	S	S	.	.			trans	-58.4	141.8	173.5	-23.3	34.8	0	0	0	111.9	P665 F666 L667	P663-P665 VanDerWaalsContact C-CD 3.46Å; P663-P665 VanDerWaalsContact C-N 3.34Å; P663-F666 WeakPolarHBondContact O-CB 3.11Å; P663-F666 PolarHBondContact O-N 3.39Å; P663-L667 PolarHBondContact O-N 3.33Å; P663-L667 VanDerWaalsContact O-N 3.15Å
664	E	93.3	Very high	94.5	Very high	130 Å²	130	51.7 Å²	51.7	61%	0.607	27%	0.266	S	S	*	.	H	α-helix	trans	-49.1	-43.7	178.8	-177.5	-172.6	170.7	0	0	113.6	F666 L667 I668	E664-F666 VanDerWaalsContact C-N 3.28Å; E664-F666 PolarHBondContact O-N 2.82Å; E664-L667 PolarHBondContact O-N 3.04Å; E664-I668 HydrophobicContact CG-CD1 3.9Å; E664-I668 HydrophobicContact CG-CG1 4.49Å; E664-I668 WeakPolarHBondContact O-CG1 3.31Å; E664-I668 PolarHBondContact O-N 3.42Å
665	P	94.3	Very high	94.5	Very high	98 Å²	98	47.7 Å²	47.7	64%	0.636	26%	0.255	S	S	*	.	H	α-helix	trans	-61.5	-32.1	176.8	-24.2	35.7	0	0	0	114.4	P663 K669	P663-P665 VanDerWaalsContact C-CD 3.46Å; P663-P665 VanDerWaalsContact C-N 3.34Å; P665-K669 PolarHBondContact O-N 2.98Å
666	F	95.3	Very high	94.4	Very high	40 Å²	40	48.5 Å²	48.5	18%	0.175	26%	0.264	C	S	.	.	H	α-helix	trans	-73.5	-42.4	176.7	-178.5	-103.4	0	0	0	111	E619 L622 Y662 P663 E664 I668 K669 L670	E619-F666 HydrophobicContact CG-CE1 4.35Å; E619-F666 HydrophobicContact CG-CE2 4.45Å; E619-F666 HydrophobicContact CG-CZ 3.94Å; L622-F666 HydrophobicContact CD1-CE1 4.21Å; Y662-F666 HydrophobicContact CD1-CD1 4.02Å; Y662-F666 AromaticContact CD1-CE1 3.93Å; Y662-F666 HydrophobicContact CD1-CE1 3.93Å; Y662-F666 HydrophobicContact CD2-CD1 4.31Å; Y662-F666 HydrophobicContact CD2-CE1 4.17Å; Y662-F666 HydrophobicContact CE1-CE1 4.34Å; Y662-F666 AromaticContact CG-CD1 3.72Å; Y662-F666 HydrophobicContact CG-CD1 3.72Å; Y662-F666 AromaticContact CG-CE1 3.85Å; Y662-F666 HydrophobicContact CG-CE1 3.85Å; P663-F666 WeakPolarHBondContact O-CB 3.11Å; P663-F666 PolarHBondContact O-N 3.39Å; E664-F666 VanDerWaalsContact C-N 3.28Å; E664-F666 PolarHBondContact O-N 2.82Å; F666-I668 VanDerWaalsContact C-N 3.32Å; F666-I668 PolarHBondContact O-N 3.1Å; F666-K669 WeakPolarHBondContact O-CB 3.48Å; F666-K669 PolarHBondContact O-N 3.27Å; F666-K669 VanDerWaalsContact O-N 3.16Å; F666-L670 HydrophobicContact CD1-CD1 3.87Å; F666-L670 HydrophobicContact CD1-CG 4.28Å; F666-L670 HydrophobicContact CE1-CD1 3.47Å; F666-L670 VanDerWaalsContact CE1-CD1 3.47Å; F666-L670 HydrophobicContact CE1-CG 4.07Å; F666-L670 HydrophobicContact CZ-CD1 3.99Å; F666-L670 HydrophobicContact CZ-CD2 4.22Å; F666-L670 HydrophobicContact CZ-CG 4.25Å; F666-L670 WeakPolarHBondContact O-CG 3.25Å; F666-L670 PolarHBondContact O-N 2.89Å
667	L	95.6	Very high	94	Very high	12 Å²	12	54.4 Å²	54.4	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-41	173.9	-63.8	178.3	0	0	0	111.6	F653 W656 E657 Y662 P663 E664 L670 Q671	F653-L667 HydrophobicContact CD1-CD2 4.49Å; W656-L667 HydrophobicContact CB-CD1 4.32Å; W656-L667 HydrophobicContact CB-CD2 3.97Å; W656-L667 HydrophobicContact CE3-CD2 3.94Å; E657-L667 HydrophobicContact CB-CD1 4.03Å; Y662-L667 HydrophobicContact CD2-CD2 4.29Å; P663-L667 PolarHBondContact O-N 3.33Å; P663-L667 VanDerWaalsContact O-N 3.15Å; E664-L667 PolarHBondContact O-N 3.04Å; L667-L670 PolarHBondContact O-N 3.22Å; L667-Q671 WeakPolarHBondContact O-CB 3.41Å; L667-Q671 PolarHBondContact O-N 3.4Å
668	I	94.4	Very high	93.2	Very high	75 Å²	75	52.8 Å²	52.8	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-42.6	173.3	-68.3	167.2	0	0	0	111.3	E664 F666 Q671 N672	E664-I668 HydrophobicContact CG-CD1 3.9Å; E664-I668 HydrophobicContact CG-CG1 4.49Å; E664-I668 WeakPolarHBondContact O-CG1 3.31Å; E664-I668 PolarHBondContact O-N 3.42Å; F666-I668 VanDerWaalsContact C-N 3.32Å; F666-I668 PolarHBondContact O-N 3.1Å; I668-Q671 PolarHBondContact O-N 2.93Å; I668-N672 WeakPolarHBondContact O-CB 3.47Å; I668-N672 VanDerWaalsContact O-CG 3.25Å; I668-N672 PolarHBondContact O-N 3.39Å; I668-N672 PolarHBondContact O-ND2 3.25Å
669	K	95.1	Very high	91.8	Very high	69 Å²	69	51.7 Å²	51.7	30%	0.3	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-46	175.4	179.2	163.7	176.6	158.8	0	111.9	P665 F666 N672 I673 E683	P665-K669 PolarHBondContact O-N 2.98Å; F666-K669 WeakPolarHBondContact O-CB 3.48Å; F666-K669 PolarHBondContact O-N 3.27Å; F666-K669 VanDerWaalsContact O-N 3.16Å; K669-N672 PolarHBondContact O-N 2.94Å; K669-I673 HydrophobicContact CG-CD1 4.18Å; K669-I673 WeakPolarHBondContact O-CG1 3.24Å; K669-I673 PolarHBondContact O-N 2.92Å; K669-E683 WeakPolarHBondContact CE-OE2 3.18Å; K669-E683 IonicContact NZ-OE1 3.74Å; K669-E683 PolarHBondContact NZ-OE1 2.7Å; K669-E683 IonicContact NZ-OE2 3.73Å; K669-E683 PolarHBondContact NZ-OE2 3.15Å
670	L	96	Very high	90.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-38.7	176.2	-65.3	-177.3	0	0	0	112.8	L622 C623 F626 F653 W656 F666 L667 I673 F674	L622-L670 HydrophobicContact CB-CD1 3.82Å; L622-L670 HydrophobicContact CB-CD2 4.05Å; L622-L670 HydrophobicContact CD1-CD1 4.14Å; L622-L670 HydrophobicContact CG-CD1 4.47Å; C623-L670 HydrophobicContact CB-CD2 4.37Å; F626-L670 HydrophobicContact CD2-CB 3.9Å; F626-L670 HydrophobicContact CD2-CD1 4.08Å; F626-L670 HydrophobicContact CD2-CD2 4.09Å; F626-L670 HydrophobicContact CD2-CG 4.25Å; F626-L670 HydrophobicContact CE2-CB 4.25Å; F626-L670 HydrophobicContact CE2-CD1 3.96Å; F653-L670 HydrophobicContact CE1-CB 3.53Å; F653-L670 HydrophobicContact CE1-CD1 4.36Å; F653-L670 HydrophobicContact CZ-CB 3.85Å; W656-L670 HydrophobicContact CZ3-CD1 4.48Å; F666-L670 HydrophobicContact CD1-CD1 3.87Å; F666-L670 HydrophobicContact CD1-CG 4.28Å; F666-L670 HydrophobicContact CE1-CD1 3.47Å; F666-L670 VanDerWaalsContact CE1-CD1 3.47Å; F666-L670 HydrophobicContact CE1-CG 4.07Å; F666-L670 HydrophobicContact CZ-CD1 3.99Å; F666-L670 HydrophobicContact CZ-CD2 4.22Å; F666-L670 HydrophobicContact CZ-CG 4.25Å; F666-L670 WeakPolarHBondContact O-CG 3.25Å; F666-L670 PolarHBondContact O-N 2.89Å; L667-L670 PolarHBondContact O-N 3.22Å; L670-I673 HydrophobicContact CD2-CD1 4.44Å; L670-I673 PolarHBondContact O-N 3.11Å; L670-F674 PolarHBondContact O-N 3.26Å
671	Q	95.5	Very high	88.5	Confident	54 Å²	54	55.9 Å²	55.9	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-43.3	173.2	-179	-175.4	-27.2	0	0	111.4	M650 F653 L667 I668 I673 F674 L675	M650-Q671 HydrophobicContact CE-CG 4.08Å; M650-Q671 HydrophobicContact SD-CG 3.98Å; F653-Q671 HydrophobicContact CD2-CB 4.37Å; F653-Q671 HydrophobicContact CE2-CB 4.24Å; F653-Q671 HydrophobicContact CZ-CB 4.43Å; L667-Q671 WeakPolarHBondContact O-CB 3.41Å; L667-Q671 PolarHBondContact O-N 3.4Å; I668-Q671 PolarHBondContact O-N 2.93Å; Q671-I673 VanDerWaalsContact C-N 3.34Å; Q671-I673 PolarHBondContact O-N 3.16Å; Q671-F674 PolarHBondContact O-N 3.2Å; Q671-L675 HydrophobicContact CG-CD1 3.98Å; Q671-L675 HydrophobicContact CG-CG 4.43Å; Q671-L675 WeakPolarHBondContact O-CB 3.38Å; Q671-L675 WeakPolarHBondContact O-CG 3.49Å; Q671-L675 PolarHBondContact O-N 3.24Å
672	N	95.3	Very high	86.4	Confident	47 Å²	47	62.7 Å²	62.7	25%	0.251	33%	0.331	S	S	.	.	H	α-helix	trans	-65.9	-36.5	177.8	-72.4	-20.1	0	0	0	112.1	I668 K669 G676 L677 V678	I668-N672 WeakPolarHBondContact O-CB 3.47Å; I668-N672 VanDerWaalsContact O-CG 3.25Å; I668-N672 PolarHBondContact O-N 3.39Å; I668-N672 PolarHBondContact O-ND2 3.25Å; K669-N672 PolarHBondContact O-N 2.94Å; N672-G676 PolarHBondContact O-N 2.9Å; N672-L677 HydrophobicContact CB-CB 4.29Å; N672-L677 PolarHBondContact O-N 3.4Å; N672-V678 HydrophobicContact CB-CB 4.43Å; N672-V678 HydrophobicContact CB-CG2 3.83Å; N672-V678 PolarHBondContact O-N 3.09Å
673	I	95.4	Very high	84.1	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-60.9	-51.4	169	-73.3	164.8	0	0	0	110.4	C623 F626 K669 L670 Q671 L675 G676 V678 I680	C623-I673 HydrophobicContact CB-CD1 4.2Å; F626-I673 HydrophobicContact CB-CG2 3.83Å; K669-I673 HydrophobicContact CG-CD1 4.18Å; K669-I673 WeakPolarHBondContact O-CG1 3.24Å; K669-I673 PolarHBondContact O-N 2.92Å; L670-I673 HydrophobicContact CD2-CD1 4.44Å; L670-I673 PolarHBondContact O-N 3.11Å; Q671-I673 VanDerWaalsContact C-N 3.34Å; Q671-I673 PolarHBondContact O-N 3.16Å; I673-L675 VanDerWaalsContact C-N 3.32Å; I673-L675 PolarHBondContact O-N 2.9Å; I673-G676 WeakPolarHBondContact O-CA 3.47Å; I673-G676 PolarHBondContact O-N 3.34Å; I673-V678 HydrophobicContact CG1-CB 4.4Å; I673-V678 HydrophobicContact CG1-CG1 4.34Å; I673-I680 HydrophobicContact CD1-CD1 3.99Å; I673-I680 HydrophobicContact CD1-CG1 3.92Å; I673-I680 HydrophobicContact CG1-CD1 4.11Å; I673-I680 HydrophobicContact CG1-CG1 3.96Å; I673-I680 HydrophobicContact CG2-CD1 3.76Å; I673-I680 HydrophobicContact CG2-CG1 4.47Å
674	F	96.3	Very high	81.7	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-37.5	-179	174.4	-115.3	0	0	0	113.1	F626 L629 N630 F645 K646 V649 F653 L670 Q671 G676	F626-F674 HydrophobicContact CB-CB 4.16Å; F626-F674 HydrophobicContact CD1-CB 3.91Å; F626-F674 HydrophobicContact CD1-CD2 4.32Å; F626-F674 HydrophobicContact CD1-CG 4.25Å; F626-F674 HydrophobicContact CG-CB 4.34Å; L629-F674 HydrophobicContact CB-CD2 3.87Å; L629-F674 HydrophobicContact CB-CE2 3.97Å; N630-F674 WeakPolarHBondContact CB-O 3.38Å; N630-F674 PolarHBondContact ND2-O 3Å; F645-F674 HydrophobicContact CD1-CZ 4.5Å; F645-F674 HydrophobicContact CE1-CE2 4.23Å; F645-F674 HydrophobicContact CE1-CZ 4.47Å; K646-F674 HydrophobicContact CB-CE1 4.35Å; K646-F674 HydrophobicContact CB-CZ 4.36Å; K646-F674 HydrophobicContact CG-CE1 4.31Å; V649-F674 HydrophobicContact CB-CD1 4.31Å; V649-F674 HydrophobicContact CB-CE1 3.72Å; V649-F674 HydrophobicContact CB-CE2 4.21Å; V649-F674 HydrophobicContact CB-CZ 3.67Å; V649-F674 HydrophobicContact CG1-CD1 3.62Å; V649-F674 HydrophobicContact CG1-CD2 3.93Å; V649-F674 HydrophobicContact CG1-CE1 3.54Å; V649-F674 HydrophobicContact CG1-CE2 3.88Å; V649-F674 HydrophobicContact CG1-CG 3.82Å; V649-F674 HydrophobicContact CG1-CZ 3.69Å; V649-F674 HydrophobicContact CG2-CE1 4.4Å; V649-F674 HydrophobicContact CG2-CE2 4.08Å; V649-F674 HydrophobicContact CG2-CZ 3.84Å; F653-F674 HydrophobicContact CE2-CB 4.12Å; F653-F674 HydrophobicContact CE2-CD1 4.32Å; F653-F674 HydrophobicContact CE2-CG 4.43Å; F653-F674 HydrophobicContact CZ-CB 4.39Å; L670-F674 PolarHBondContact O-N 3.26Å; Q671-F674 PolarHBondContact O-N 3.2Å; F674-G676 PolarHBondContact O-N 2.8Å
675	L	94.7	Very high	79.2	Confident	50 Å²	50	74.9 Å²	74.9	26%	0.262	38%	0.378	S	S	.	.	H	α-helix	trans	-77.1	-11.4	174.3	-65.5	176	0	0	0	112.8	K646 Q671 I673 L677	K646-L675 HydrophobicContact CD-CD2 4.29Å; Q671-L675 HydrophobicContact CG-CD1 3.98Å; Q671-L675 HydrophobicContact CG-CG 4.43Å; Q671-L675 WeakPolarHBondContact O-CB 3.38Å; Q671-L675 WeakPolarHBondContact O-CG 3.49Å; Q671-L675 PolarHBondContact O-N 3.24Å; I673-L675 VanDerWaalsContact C-N 3.32Å; I673-L675 PolarHBondContact O-N 2.9Å; L675-L677 HydrophobicContact CB-CD1 4.04Å; L675-L677 HydrophobicContact CB-CG 3.96Å; L675-L677 HydrophobicContact CD1-CD1 4.22Å
676	G	90.7	Very high	76.6	Confident	20 Å²	20	75.4 Å²	75.4	21%	0.206	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	32.4	179.3	0	0	0	0	0	113.6	N630 R634 N672 I673 F674	N630-G676 PolarHBondContact ND2-N 3.08Å; R634-G676 PolarHBondContact NH2-O 3.18Å; N672-G676 PolarHBondContact O-N 2.9Å; I673-G676 WeakPolarHBondContact O-CA 3.47Å; I673-G676 PolarHBondContact O-N 3.34Å; F674-G676 PolarHBondContact O-N 2.8Å
677	L	87.8	Confident	73.7	Confident	124 Å²	124	82.9 Å²	82.9	65%	0.649	42%	0.415	S	S	*	.			trans	-92.4	-12.2	176.1	-58.6	175.6	0	0	0	112.6	N672 L675	N672-L677 HydrophobicContact CB-CB 4.29Å; N672-L677 PolarHBondContact O-N 3.4Å; L675-L677 HydrophobicContact CB-CD1 4.04Å; L675-L677 HydrophobicContact CB-CG 3.96Å; L675-L677 HydrophobicContact CD1-CD1 4.22Å
678	V	76.6	Confident	70.9	Confident	47 Å²	47	90.1 Å²	90.1	29%	0.285	45%	0.454	S	S	.	.	S	Bend	trans	-129.9	131.4	177.2	168	0	0	0	0	109.1	N672 I673	N672-V678 HydrophobicContact CB-CB 4.43Å; N672-V678 HydrophobicContact CB-CG2 3.83Å; N672-V678 PolarHBondContact O-N 3.09Å; I673-V678 HydrophobicContact CG1-CB 4.4Å; I673-V678 HydrophobicContact CG1-CG1 4.34Å
679	N	65.1	Low	68.1	Low	98 Å²	98	92.4 Å²	92.4	52%	0.524	47%	0.471	S	S	.	.			trans	-94.5	112.3	174	-69.6	-28.2	0	0	0	109.8	I681 E682	N679-I681 PolarHBondContact O-N 3.21Å; N679-E682 PolarHBondContact O-N 3.24Å
680	I	61.4	Low	65.5	Low	53 Å²	53	95.1 Å²	95.1	27%	0.272	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.5	179	-64	164.6	0	0	0	112.9	C623 I673 E682	C623-I680 VanDerWaalsContact O-CD1 3.31Å; C623-I680 WeakPolarHBondContact O-CD1 3.48Å; I673-I680 HydrophobicContact CD1-CD1 3.99Å; I673-I680 HydrophobicContact CD1-CG1 3.92Å; I673-I680 HydrophobicContact CG1-CD1 4.11Å; I673-I680 HydrophobicContact CG1-CG1 3.96Å; I673-I680 HydrophobicContact CG2-CD1 3.76Å; I673-I680 HydrophobicContact CG2-CG1 4.47Å; I680-E682 VanDerWaalsContact C-N 3.28Å; I680-E682 PolarHBondContact O-N 3.39Å
681	I	54.5	Low	62.6	Low	153 Å²	153	102.3 Å²	102.3	79%	0.785	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.5	-175.2	-60.2	174.5	0	0	0	112.3	N679	N679-I681 PolarHBondContact O-N 3.21Å
682	E	46.8	Very low	59.8	Low	152 Å²	152	106.9 Å²	106.9	71%	0.71	56%	0.56	S	S	*	*	S	Bend	trans	-93	-23.3	-169.6	-68.4	170.9	-178	0	0	114	N679 I680 K684	N679-E682 PolarHBondContact O-N 3.24Å; I680-E682 VanDerWaalsContact C-N 3.28Å; I680-E682 PolarHBondContact O-N 3.39Å; E682-K684 VanDerWaalsContact C-N 3.35Å; E682-K684 PolarHBondContact O-N 3.18Å
683	E	46.7	Very low	57	Low	97 Å²	97	112.4 Å²	112.4	45%	0.453	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-80.2	-9.4	-175.7	-66.8	-177.3	135.3	0	0	114.5	K669	K669-E683 WeakPolarHBondContact CE-OE2 3.18Å; K669-E683 IonicContact NZ-OE1 3.74Å; K669-E683 PolarHBondContact NZ-OE1 2.7Å; K669-E683 IonicContact NZ-OE2 3.73Å; K669-E683 PolarHBondContact NZ-OE2 3.15Å
684	K	46	Very low	54	Low	195 Å²	195	120 Å²	120	85%	0.848	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-90.9	1	-166.9	-146.7	177.3	-177.9	178	0	115.4	E682	E682-K684 VanDerWaalsContact C-N 3.35Å; E682-K684 PolarHBondContact O-N 3.18Å
685	E	39	Very low	51.1	Low	185 Å²	185	123.1 Å²	123.1	86%	0.864	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-102.2	-4.4	178.4	-65	-160.9	139.7	0	0	114.2
686	T	40.1	Very low	48.3	Very low	109 Å²	109	125.1 Å²	125.1	67%	0.669	69%	0.685	S	S	*	*			trans	-137.1	94.3	-174.6	56.1	0	0	0	0	113.9
687	E	35.6	Very low	46.5	Very low	197 Å²	197	129.5 Å²	129.5	92%	0.921	71%	0.71	S	S	*	*			trans	-179.3	96.8	137	-105.9	175.9	-152.2	0	0	110.6
688	D	36.3	Very low	43.7	Very low	163 Å²	163	130.6 Å²	130.6	87%	0.872	72%	0.715	S	S	*	*			trans	-159.4	46.6	157.3	-137.1	-9.2	0	0	0	111.6
689	V	34.6	Very low	41.5	Very low	123 Å²	123	136.5 Å²	136.5	75%	0.745	74%	0.74	S	S	*	*			trans	-136.9	110.7	170.7	-176.5	0	0	0	0	109
690	P	40.9	Very low	40	Very low	126 Å²	126	139.9 Å²	139.9	82%	0.818	75%	0.752	S	S	*	*			trans	-91.1	110.4	173	32.8	-28.9	0	0	0	110.5
691	D	34.8	Very low	38.7	Very low	152 Å²	152	145.3 Å²	145.3	81%	0.813	78%	0.776	S	S	*	*			trans	-116.1	145.2	170.3	-97.4	-45.3	0	0	0	111.3
692	D	36.6	Very low	37.8	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	78%	0.775	S	S	*	*			trans	-82.8	134.6	-172.1	-84.3	-57.9	0	0	0	113.8
693	L	36.3	Very low	37.1	Very low	163 Å²	163	145.4 Å²	145.4	85%	0.853	78%	0.782	S	S	*	*			trans	36.2	94.1	140.5	-66.1	164.3	0	0	0	118.4
694	D	33.9	Very low	36.4	Very low	164 Å²	164	143.9 Å²	143.9	88%	0.877	79%	0.793	S	S	*	*			trans	-72.8	152.2	164	-172.9	30.8	0	0	0	113.2
695	G	33.6	Very low	36	Very low	64 Å²	64	139.3 Å²	139.3	66%	0.66	79%	0.791	S	S	*	*			trans	-109.4	104.6	-176.8	0	0	0	0	0	113.5
696	A	36.3	Very low	36.4	Very low	92 Å²	92	135.6 Å²	135.6	76%	0.76	78%	0.784	S	S	*	*			trans	-63.8	175.6	174.2	0	0	0	0	0	114
697	P	53.1	Low	36.2	Very low	112 Å²	112	137.3 Å²	137.3	73%	0.727	79%	0.788	S	S	*	*			cis	-136.9	-175.6	-13	37.8	-19.1	0	0	0	114.3
698	I	30.3	Very low	36.2	Very low	148 Å²	148	136.2 Å²	136.2	76%	0.759	78%	0.783	S	S	*	*			trans	-169.8	117.8	144.4	-100.2	150.8	0	0	0	105.7
699	E	30.1	Very low	36.3	Very low	171 Å²	171	135 Å²	135	80%	0.799	78%	0.776	S	S	*	*				63.7	135.3	85.2	-63.5	-174.7	163.1	0	0	112.2
700	E	32	Very low	36.3	Very low	169 Å²	169	134.9 Å²	134.9	79%	0.79	78%	0.776	S	S	*	*			cis	-151.3	163.5	48.9	-77.8	177.9	131.2	0	0	115.8
701	E	35.1	Very low	36.2	Very low	166 Å²	166	135.2 Å²	135.2	78%	0.776	77%	0.771	S	S	*	*			trans	62.4	147.7	148.1	-73.9	-169.7	165.4	0	0	123.6
702	L	36	Very low	36.2	Very low	145 Å²	145	129.8 Å²	129.8	76%	0.759	75%	0.75	S	S	*	*			cis	-166.8	167.9	-27.5	-153.6	63.2	0	0	0	111.9
703	D	31.5	Very low	36.2	Very low	162 Å²	162	128.1 Å²	128.1	87%	0.866	74%	0.74	S	S	*	*			trans	72.7	141.4	156.7	-149.7	41.5	0	0	0	118.5
704	G	32.1	Very low	36.7	Very low	65 Å²	65	125.6 Å²	125.6	67%	0.67	73%	0.733	S	S	*	*			cis	-166.8	157.3	-2.6	0	0	0	0	0	111.8
705	A	36.7	Very low	36.7	Very low	99 Å²	99	125.3 Å²	125.3	82%	0.818	73%	0.73	S	S	*	*			trans	-113.5	-151.9	-174	0	0	0	0	0	111.5
706	P	47.6	Very low	36.6	Very low	108 Å²	108	129.3 Å²	129.3	70%	0.701	74%	0.736	S	S	*	*			cis	-148.8	-173.5	13.6	40.5	-15.8	0	0	0	119
707	L	36.4	Very low	36.3	Very low	145 Å²	145	129 Å²	129	76%	0.759	73%	0.734	S	S	*	*			trans	73.8	141.7	161.7	-49.7	-179.3	0	0	0	118.5
708	E	36.5	Very low	35.4	Very low	174 Å²	174	130 Å²	130	81%	0.813	74%	0.738	S	S	*	*			cis	-150.2	-160.8	5.3	-142.9	155.5	-118.1	0	0	113.2
709	D	38	Very low	36	Very low	137 Å²	137	128.1 Å²	128.1	73%	0.733	74%	0.735	S	S	*	*			trans	-141.8	-174.6	-175.1	-173.7	23.9	0	0	0	111.8
710	V	35.2	Very low	36	Very low	121 Å²	121	126.4 Å²	126.4	73%	0.733	73%	0.731	S	S	*	*			trans	160.5	111.2	144.5	162.8	0	0	0	0	112.5
711	D	38.6	Very low	36.1	Very low	133 Å²	133	124.8 Å²	124.8	71%	0.711	73%	0.727	S	S	*	*			trans	45.8	167.7	146.1	-79.4	-39.8	0	0	0	123.9	R1010	D711-R1010 PolarHBondContact O-NH1 3.13Å
712	G	34.3	Very low	36	Very low	37 Å²	37	123.7 Å²	123.7	38%	0.381	73%	0.727	S	S	.	*			cis	-149.9	-174.3	-2.6	0	0	0	0	0	113.3	R1010	G712-R1010 VanDerWaalsContact N-NH1 3.15Å; G712-R1010 PolarHBondContact O-NH2 3.47Å
713	I	37	Very low	36	Very low	115 Å²	115	123.5 Å²	123.5	59%	0.59	73%	0.726	S	S	*	*			trans	-168.7	155.4	-174.4	20.6	166.8	0	0	0	108.9
714	P	45.8	Very low	36.2	Very low	110 Å²	110	123.4 Å²	123.4	71%	0.714	73%	0.725	S	S	*	*				-161.4	-154.3	67.9	40.2	-14.2	0	0	0	116.9
715	I	34.7	Very low	36.3	Very low	158 Å²	158	123.3 Å²	123.3	81%	0.81	72%	0.724	S	S	*	*			trans	83.3	145.2	154.2	-76.3	164.2	0	0	0	119.6
716	D	32.3	Very low	36.3	Very low	148 Å²	148	125.3 Å²	125.3	79%	0.791	73%	0.726	S	S	*	*			cis	-171.9	-175.5	-31.4	-157.9	1.3	0	0	0	110.3
717	A	29.1	Very low	36.3	Very low	86 Å²	86	125.4 Å²	125.4	71%	0.711	73%	0.727	S	S	*	*			trans	89.7	112.3	153.8	0	0	0	0	0	121.1
718	T	33.3	Very low	36.2	Very low	132 Å²	132	126.6 Å²	126.6	81%	0.81	73%	0.732	S	S	*	*			trans	-84.5	-173.9	145.7	55.2	0	0	0	0	108.6
719	P	42.8	Very low	35.8	Very low	109 Å²	109	127.2 Å²	127.2	71%	0.708	73%	0.732	S	S	*	*			cis	-149.7	-151.2	23.7	35.2	-6.6	0	0	0	116.2
720	I	31.1	Very low	35.4	Very low	136 Å²	136	125 Å²	125	70%	0.697	73%	0.728	S	S	*	*			trans	101.8	95.8	159.5	-56.7	168.5	0	0	0	117.3
721	D	33.1	Very low	35.2	Very low	135 Å²	135	126.7 Å²	126.7	72%	0.722	73%	0.731	S	S	*	*				51.9	155.8	116.9	-45.3	-34.8	0	0	0	125.3
722	D	34.2	Very low	34.8	Very low	142 Å²	142	126.3 Å²	126.3	76%	0.759	73%	0.729	S	S	*	*			trans	101.4	123.9	142.2	-77.8	-10.5	0	0	0	124.9
723	L	36.5	Very low	34.8	Very low	141 Å²	141	132.6 Å²	132.6	74%	0.738	75%	0.754	S	S	*	*			trans	45.2	114	143.3	-84.7	75	0	0	0	123.6
724	D	34.1	Very low	34.9	Very low	161 Å²	161	134.7 Å²	134.7	86%	0.861	77%	0.767	S	S	*	*				60.4	157.9	99.3	-155.7	18.3	0	0	0	121.3
725	G	34.5	Very low	34.3	Very low	63 Å²	63	137.7 Å²	137.7	65%	0.649	78%	0.776	S	S	*	*			trans	102.3	80	155.4	0	0	0	0	0	119.8
726	V	37.9	Very low	34.4	Very low	141 Å²	141	137.7 Å²	137.7	86%	0.855	78%	0.777	S	S	*	*			trans	-71.2	170.2	149.4	-109.8	0	0	0	0	110.7
727	P	47.4	Very low	34.5	Very low	110 Å²	110	133.3 Å²	133.3	71%	0.714	77%	0.767	S	S	*	*			cis	-136.6	-170.5	-4.2	41.9	-24.8	0	0	0	114.6
728	I	33.7	Very low	35.3	Very low	170 Å²	170	136 Å²	136	87%	0.872	77%	0.774	S	S	*	*			trans	-160.6	160.5	132.9	-108.2	160.3	0	0	0	111.8
729	K	28.9	Very low	36	Very low	187 Å²	187	134.8 Å²	134.8	81%	0.813	77%	0.769	S	S	*	*			trans	-96	-166.2	-177.7	-56	-177.6	174	-172.2	0	111.1
730	S	29.8	Very low	35.5	Very low	91 Å²	91	136.3 Å²	136.3	64%	0.636	77%	0.77	S	S	*	*			cis	-170	-176.1	17.3	2.5	0	0	0	0	110
731	L	29.2	Very low	35.4	Very low	155 Å²	155	136.8 Å²	136.8	81%	0.812	77%	0.774	S	S	*	*			trans	82.4	86.1	175.9	-62.2	155.5	0	0	0	111.6
732	D	31.6	Very low	35.1	Very low	125 Å²	125	134 Å²	134	67%	0.668	77%	0.77	S	S	*	*			cis	90.5	117.7	41.3	-48.2	-25.7	0	0	0	111.8
733	D	33.1	Very low	34.8	Very low	169 Å²	169	132.7 Å²	132.7	90%	0.904	77%	0.767	S	S	*	*				-167.8	125.7	124.7	-100	-22.2	0	0	0	109.3
734	D	38.8	Very low	34.5	Very low	160 Å²	160	134.3 Å²	134.3	86%	0.856	77%	0.771	S	S	*	*			trans	-101.8	152.4	-178.7	-72.4	-58.7	0	0	0	111.4
735	L	35.2	Very low	34.3	Very low	173 Å²	173	133.5 Å²	133.5	91%	0.906	77%	0.766	S	S	*	*			trans	-154.8	72	157.3	-116.1	164.3	0	0	0	114.8
736	D	35.6	Very low	34.1	Very low	158 Å²	158	134.9 Å²	134.9	85%	0.845	77%	0.766	S	S	*	*			trans	27.3	142.7	137.4	-155.4	23.8	0	0	0	123.4
737	G	34.5	Very low	33.9	Very low	56 Å²	56	137.9 Å²	137.9	58%	0.577	77%	0.768	S	S	*	*				109.9	49.9	113.1	0	0	0	0	0	122.7
738	V	46.5	Very low	33	Very low	142 Å²	142	141.6 Å²	141.6	86%	0.861	77%	0.773	S	S	*	*			trans	-67.2	150.4	158.6	-136.1	0	0	0	0	110.3
739	P	46.5	Very low	32.8	Very low	106 Å²	106	141.6 Å²	141.6	69%	0.688	78%	0.775	S	S	*	*				-160.7	159.5	93.2	40.6	-20.5	0	0	0	120.3
740	L	33.6	Very low	32.9	Very low	141 Å²	141	139.3 Å²	139.3	74%	0.738	77%	0.767	S	S	*	*			trans	83.4	134.5	140.9	-78.6	160.9	0	0	0	124.1
741	D	29.1	Very low	33.3	Very low	146 Å²	146	140 Å²	140	78%	0.781	77%	0.769	S	S	*	*			trans	67.3	138.4	149.3	-69.5	-15.6	0	0	0	120.4
742	A	26.8	Very low	33.7	Very low	76 Å²	76	138.6 Å²	138.6	63%	0.628	76%	0.761	S	S	*	*			cis	-152.1	159.9	7.6	0	0	0	0	0	114.9
743	T	26.5	Very low	34.7	Very low	115 Å²	115	138.3 Å²	138.3	71%	0.706	75%	0.754	S	S	*	*			trans	58	114.7	149.3	49.6	0	0	0	0	122.3
744	E	30.3	Very low	35.8	Very low	175 Å²	175	139.7 Å²	139.7	82%	0.818	75%	0.752	S	S	*	*				64.1	148.2	121	-65.3	177.2	-173.5	0	0	121.5
745	D	31	Very low	37.4	Very low	144 Å²	144	134.3 Å²	134.3	77%	0.77	73%	0.725	S	S	*	*			cis	-173.3	172.3	-32.6	-127.4	51.8	0	0	0	107.5
746	S	29.8	Very low	39.3	Very low	92 Å²	92	127.6 Å²	127.6	64%	0.643	70%	0.695	S	S	*	*			cis	-154.9	150.3	0.6	-159.5	0	0	0	0	110.4
747	K	33.1	Very low	41	Very low	204 Å²	204	124.9 Å²	124.9	89%	0.887	69%	0.685	S	S	*	*			trans	-178.8	104.6	152	-111.2	-174.7	179.5	-167.5	0	111.8
748	K	30.2	Very low	43.1	Very low	188 Å²	188	122.3 Å²	122.3	82%	0.817	66%	0.659	S	S	*	*			trans	174.5	114	142.4	-101.8	174.8	-177.9	-166.5	0	110.9
749	N	28.8	Very low	44.3	Very low	171 Å²	171	120 Å²	120	91%	0.914	64%	0.637	S	S	*	*			trans	-110.2	97.5	165.7	-95.9	-8.5	0	0	0	108.3
750	E	31.4	Very low	45.8	Very low	138 Å²	138	115.5 Å²	115.5	65%	0.645	61%	0.606	S	S	*	*			trans	-135.7	119	165.7	-79.9	-163.8	119.9	0	0	110.2	I752	E750-I752 HydrophobicContact CB-CG1 3.87Å; E750-I752 PolarHBondContact O-N 3.46Å
751	P	37.4	Very low	46.9	Very low	105 Å²	105	117.2 Å²	117.2	68%	0.682	61%	0.611	S	S	*	*			trans	-82.9	84	160.2	33.2	-29.3	0	0	0	108.7	F753	P751-F753 HydrophobicContact CB-CD2 4.21Å; P751-F753 HydrophobicContact CB-CE2 4.22Å; P751-F753 WeakPolarHBondContact O-CD2 3.32Å; P751-F753 PolarHBondContact O-N 3.04Å
752	I	38.5	Very low	47.7	Very low	127 Å²	127	113.3 Å²	113.3	65%	0.651	60%	0.599	S	S	*	*			trans	-64.2	96.7	-177.3	-58.3	178	0	0	0	110.9	E750	E750-I752 HydrophobicContact CB-CG1 3.87Å; E750-I752 PolarHBondContact O-N 3.46Å
753	F	51.6	Low	48.7	Very low	119 Å²	119	110.8 Å²	110.8	52%	0.522	58%	0.575	S	S	.	*			trans	-114	127.7	168.3	-75.4	-83.5	0	0	0	109.8	K607 V608 P751 V755	K607-F753 HydrophobicContact CB-CD1 4.47Å; K607-F753 WeakPolarHBondContact O-CD1 3.48Å; K607-F753 WeakPolarHBondContact O-CE1 3.37Å; V608-F753 HydrophobicContact CG2-CB 4.2Å; V608-F753 HydrophobicContact CG2-CG 4.49Å; P751-F753 HydrophobicContact CB-CD2 4.21Å; P751-F753 HydrophobicContact CB-CE2 4.22Å; P751-F753 WeakPolarHBondContact O-CD2 3.32Å; P751-F753 PolarHBondContact O-N 3.04Å; F753-V755 PolarHBondContact O-N 3.26Å
754	K	56.8	Low	49.6	Very low	197 Å²	197	110.2 Å²	110.2	86%	0.857	57%	0.568	S	S	*	*			trans	-80.7	103.4	-179.5	-61	-170.1	178.7	-168.4	0	110.3
755	V	72	Confident	50.3	Low	48 Å²	48	106.8 Å²	106.8	29%	0.291	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-96.3	149.2	172.5	-178	0	0	0	0	108.8	M559 L563 N603 V608 F753	M559-V755 HydrophobicContact CE-CG1 3.63Å; M559-V755 HydrophobicContact SD-CG1 4.36Å; L563-V755 HydrophobicContact CD1-CG1 3.51Å; L563-V755 HydrophobicContact CD1-CG2 4.23Å; N603-V755 HydrophobicContact CB-CG1 4.11Å; N603-V755 VanDerWaalsContact OD1-CG1 3.29Å; N603-V755 WeakPolarHBondContact OD1-CG1 3.48Å; V608-V755 HydrophobicContact CG2-CG2 4.34Å; F753-V755 PolarHBondContact O-N 3.26Å
756	A	74.5	Confident	51.2	Low	32 Å²	32	103.1 Å²	103.1	26%	0.264	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-86	135.6	176.1	0	0	0	0	0	111.1	Y602 N603	Y602-A756 HydrophobicContact CD1-CB 4.3Å; Y602-A756 HydrophobicContact CE1-CB 3.71Å; N603-A756 PolarHBondContact ND2-O 2.72Å; N603-A756 WeakPolarHBondContact OD1-CB 3.4Å; N603-A756 PolarHBondContact OD1-N 3.07Å
757	P	72.2	Confident	52.2	Low	100 Å²	100	103.4 Å²	103.4	65%	0.649	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-69.4	160.4	-179.1	30.4	-36.5	0	0	0	112.3
758	S	77.5	Confident	53.2	Low	3 Å²	3	97.3 Å²	97.3	2%	0.021	51%	0.505	C	S	.	.	P	Polyproline II helix	trans	-51.1	136.4	-178.3	178.9	0	0	0	0	113.4	K552 D599 W760	K552-S758 PolarHBondContact NZ-O 3.35Å; K552-S758 WeakPolarHBondContact O-CB 3.47Å; D599-S758 WeakPolarHBondContact OD2-CA 3.16Å; D599-S758 WeakPolarHBondContact OD2-CB 3.21Å; D599-S758 PolarHBondContact OD2-OG 3.36Å; S758-W760 PolarHBondContact OG-N 3.12Å
759	K	72.4	Confident	54.1	Low	94 Å²	94	94.3 Å²	94.3	41%	0.409	49%	0.494	S	S	.	.			trans	-80.2	-17	178	-176.6	172.2	172.6	-174.6	0	112.9	D599 D658 W659	D599-K759 PolarHBondContact OD1-N 3.01Å; D658-K759 IonicContact OD2-NZ 2.66Å; W659-K759 HydrophobicContact CH2-CB 4.18Å; W659-K759 HydrophobicContact CH2-CD 3.83Å; W659-K759 HydrophobicContact CZ2-CB 3.94Å; W659-K759 HydrophobicContact CZ2-CD 3.19Å; W659-K759 HydrophobicContact CZ2-CG 4.16Å
760	W	77.4	Confident	55.2	Low	11 Å²	11	89.1 Å²	89.1	4%	0.042	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-85.7	123.6	-167.8	-49	93.2	0	0	0	111.1	K552 I555 Y595 S598 D599 T651 A655 W659 S758	K552-W760 WeakPolarHBondContact CB-O 3.14Å; K552-W760 WeakPolarHBondContact CG-O 3.5Å; I555-W760 HydrophobicContact CD1-CB 4.33Å; Y595-W760 AromaticContact CD1-CD2 3.69Å; Y595-W760 HydrophobicContact CD1-CD2 3.69Å; Y595-W760 AromaticContact CD1-CE3 3.73Å; Y595-W760 HydrophobicContact CD1-CE3 3.73Å; Y595-W760 HydrophobicContact CD1-CG 4.08Å; Y595-W760 HydrophobicContact CD1-CZ3 4.29Å; Y595-W760 HydrophobicContact CD2-CB 3.59Å; Y595-W760 HydrophobicContact CD2-CD2 4.02Å; Y595-W760 HydrophobicContact CD2-CE3 4.29Å; Y595-W760 AromaticContact CD2-CG 3.6Å; Y595-W760 HydrophobicContact CD2-CG 3.6Å; Y595-W760 AromaticContact CE1-CD2 3.98Å; Y595-W760 HydrophobicContact CE1-CD2 3.98Å; Y595-W760 AromaticContact CE1-CE3 3.51Å; Y595-W760 HydrophobicContact CE1-CE3 3.51Å; Y595-W760 AromaticContact CE1-CZ3 3.96Å; Y595-W760 HydrophobicContact CE1-CZ3 3.96Å; Y595-W760 HydrophobicContact CE2-CB 3.92Å; Y595-W760 HydrophobicContact CE2-CD2 4.27Å; Y595-W760 HydrophobicContact CE2-CE3 4.09Å; Y595-W760 HydrophobicContact CE2-CG 4.12Å; Y595-W760 HydrophobicContact CG-CB 4.1Å; Y595-W760 AromaticContact CG-CD1 3.94Å; Y595-W760 AromaticContact CG-CD2 3.71Å; Y595-W760 HydrophobicContact CG-CD2 3.71Å; Y595-W760 HydrophobicContact CG-CE3 4.12Å; Y595-W760 AromaticContact CG-CG 3.57Å; Y595-W760 HydrophobicContact CG-CG 3.57Å; Y595-W760 AromaticContact CZ-CE3 3.69Å; S598-W760 WeakPolarHBondContact OG-CZ2 3.41Å; D599-W760 VanDerWaalsContact CG-NE1 3.33Å; D599-W760 PolarHBondContact OD1-NE1 3.26Å; D599-W760 PolarHBondContact OD2-NE1 2.95Å; T651-W760 HydrophobicContact CG2-CZ3 3.89Å; A655-W760 HydrophobicContact CB-CH2 3.77Å; A655-W760 HydrophobicContact CB-CZ2 4.13Å; W659-W760 HydrophobicContact CH2-CZ2 4.21Å; W659-W760 HydrophobicContact CZ3-CZ2 4.48Å; S758-W760 PolarHBondContact OG-N 3.12Å
761	E	56.7	Low	56.1	Low	177 Å²	177	85.6 Å²	85.6	83%	0.827	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-89.3	152.9	175	-165.3	163.8	-170.7	0	0	110.2
762	A	47.2	Very low	56.4	Low	64 Å²	64	83.5 Å²	83.5	53%	0.529	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-63	152.8	-169.5	0	0	0	0	0	112.6	D764	A762-D764 PolarHBondContact O-N 3.38Å
763	V	47.3	Very low	56.5	Low	23 Å²	23	83 Å²	83	14%	0.139	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-65.8	132.2	160	-170.9	0	0	0	0	107.4	P550 R648 E765 L768	P550-V763 HydrophobicContact CB-CG2 4.33Å; P550-V763 HydrophobicContact CG-CG2 3.92Å; R648-V763 VanDerWaalsContact NH2-CG1 3.31Å; R648-V763 VanDerWaalsContact NH2-CG2 3.33Å; V763-E765 PolarHBondContact O-N 3.44Å; V763-E765 VanDerWaalsContact O-N 3.09Å; V763-L768 HydrophobicContact CG1-CB 4.34Å; V763-L768 HydrophobicContact CG1-CD1 4.1Å
764	D	44.4	Very low	55.7	Low	103 Å²	103	82.9 Å²	82.9	55%	0.551	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-54.6	119.3	170.1	-169.2	-46.9	0	0	0	108.2	A762 S766 E767 L768	A762-D764 PolarHBondContact O-N 3.38Å; D764-S766 PolarHBondContact O-N 3.46Å; D764-S766 VanDerWaalsContact O-N 3.07Å; D764-S766 WeakPolarHBondContact OD1-CB 3.44Å; D764-S766 PolarHBondContact OD1-N 2.82Å; D764-S766 VanDerWaalsContact OD1-N 3.1Å; D764-S766 PolarHBondContact OD1-OG 2.85Å; D764-E767 PolarHBondContact O-N 2.95Å; D764-L768 PolarHBondContact O-N 3.42Å
765	E	45.5	Very low	54.6	Low	103 Å²	103	77.9 Å²	77.9	48%	0.481	45%	0.448	S	S	.	.	H	α-helix	trans	-54.7	-34.4	-171.9	-153.3	110.1	-109.6	0	0	110.2	R551 V763 E767 L768 E769	R551-E765 IonicContact CZ-OE1 3.21Å; R551-E765 IonicContact NE-OE1 3.92Å; R551-E765 IonicContact NH2-OE1 2.76Å; R551-E765 PolarHBondContact NH2-OE1 2.88Å; R551-E765 IonicContact NH2-OE2 3.26Å; R551-E765 PolarHBondContact NH2-OE2 3.13Å; V763-E765 PolarHBondContact O-N 3.44Å; V763-E765 VanDerWaalsContact O-N 3.09Å; E765-E767 PolarHBondContact O-N 2.82Å; E765-L768 PolarHBondContact O-N 3.45Å; E765-E769 WeakPolarHBondContact O-CG 3.49Å; E765-E769 PolarHBondContact O-N 3.09Å
766	S	50	Low	53.1	Low	67 Å²	67	80.3 Å²	80.3	47%	0.469	47%	0.467	S	S	.	.	H	α-helix	trans	-66.4	-31.5	178.2	72.3	0	0	0	0	114.4	D764 A770	D764-S766 PolarHBondContact O-N 3.46Å; D764-S766 VanDerWaalsContact O-N 3.07Å; D764-S766 WeakPolarHBondContact OD1-CB 3.44Å; D764-S766 PolarHBondContact OD1-N 2.82Å; D764-S766 VanDerWaalsContact OD1-N 3.1Å; D764-S766 PolarHBondContact OD1-OG 2.85Å; S766-A770 WeakPolarHBondContact O-CB 3.31Å; S766-A770 PolarHBondContact O-N 2.8Å
767	E	52.3	Low	51.2	Low	98 Å²	98	87.6 Å²	87.6	46%	0.458	49%	0.493	S	S	.	.	H	α-helix	trans	-75.7	-32.2	174.3	-76.3	-153.4	141.5	0	0	112.3	D764 E765 Q771	D764-E767 PolarHBondContact O-N 2.95Å; E765-E767 PolarHBondContact O-N 2.82Å; E767-Q771 WeakPolarHBondContact O-CG 3.22Å; E767-Q771 PolarHBondContact O-N 2.99Å
768	L	52.6	Low	49.8	Very low	75 Å²	75	94.1 Å²	94.1	39%	0.393	51%	0.505	S	S	.	.	H	α-helix	trans	-70.8	-46.6	178	-155	80.9	0	0	0	110.2	P588 V763 D764 E765 Q771 A772	P588-L768 HydrophobicContact CG-CD1 4.44Å; V763-L768 HydrophobicContact CG1-CB 4.34Å; V763-L768 HydrophobicContact CG1-CD1 4.1Å; D764-L768 PolarHBondContact O-N 3.42Å; E765-L768 PolarHBondContact O-N 3.45Å; L768-Q771 PolarHBondContact O-N 3.47Å; L768-A772 PolarHBondContact O-N 3.04Å
769	E	48.6	Very low	47.9	Very low	125 Å²	125	100 Å²	100	58%	0.584	53%	0.532	S	S	*	.	H	α-helix	trans	-61.3	-46.8	173.4	-71.2	-174.3	158.7	0	0	112.1	E765 Q771 A772 V773	E765-E769 WeakPolarHBondContact O-CG 3.49Å; E765-E769 PolarHBondContact O-N 3.09Å; E769-Q771 PolarHBondContact O-N 3.5Å; E769-A772 PolarHBondContact O-N 2.94Å; E769-V773 VanDerWaalsContact O-CG2 3.3Å; E769-V773 WeakPolarHBondContact O-CG2 3.4Å; E769-V773 PolarHBondContact O-N 2.77Å
770	A	53.4	Low	46.2	Very low	62 Å²	62	103.3 Å²	103.3	51%	0.512	55%	0.553	S	S	.	*	H	α-helix	trans	-59.9	-29.6	-179.1	0	0	0	0	0	113.4	S766	S766-A770 WeakPolarHBondContact O-CB 3.31Å; S766-A770 PolarHBondContact O-N 2.8Å
771	Q	48.9	Very low	44	Very low	65 Å²	65	112.2 Å²	112.2	30%	0.304	59%	0.593	S	S	.	*	H	α-helix	trans	-77.1	-40.9	173.4	-69.8	-177.9	50.4	0	0	112.1	E767 L768 E769 T774	E767-Q771 WeakPolarHBondContact O-CG 3.22Å; E767-Q771 PolarHBondContact O-N 2.99Å; L768-Q771 PolarHBondContact O-N 3.47Å; E769-Q771 PolarHBondContact O-N 3.5Å; Q771-T774 PolarHBondContact O-OG1 3.15Å; Q771-T774 VanDerWaalsContact O-OG1 3.06Å
772	A	44.2	Very low	43	Very low	60 Å²	60	111.3 Å²	111.3	50%	0.496	59%	0.593	S	S	.	*	H	α-helix	trans	-66.9	-36	179.3	0	0	0	0	0	113.7	L768 E769 T774 T775	L768-A772 PolarHBondContact O-N 3.04Å; E769-A772 PolarHBondContact O-N 2.94Å; A772-T774 PolarHBondContact O-N 3.49Å; A772-T775 PolarHBondContact O-N 3.01Å; A772-T775 PolarHBondContact O-OG1 3.48Å
773	V	40.3	Very low	42.3	Very low	117 Å²	117	115.2 Å²	115.2	71%	0.709	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-15.2	-176.4	166.7	0	0	0	0	113.6	E769	E769-V773 VanDerWaalsContact O-CG2 3.3Å; E769-V773 WeakPolarHBondContact O-CG2 3.4Å; E769-V773 PolarHBondContact O-N 2.77Å
774	T	35.8	Very low	41.5	Very low	116 Å²	116	123.2 Å²	123.2	71%	0.712	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-16.8	-176.2	64.9	0	0	0	0	115.7	Q771 A772	Q771-T774 PolarHBondContact O-OG1 3.15Å; Q771-T774 VanDerWaalsContact O-OG1 3.06Å; A772-T774 PolarHBondContact O-N 3.49Å
775	T	34.3	Very low	40.9	Very low	93 Å²	93	126.8 Å²	126.8	57%	0.571	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-23	-174.7	51.7	0	0	0	0	114.4	A772 K777	A772-T775 PolarHBondContact O-N 3.01Å; A772-T775 PolarHBondContact O-OG1 3.48Å; T775-K777 VanDerWaalsContact C-N 3.27Å; T775-K777 PolarHBondContact O-N 3.02Å
776	S	40.2	Very low	40.3	Very low	99 Å²	99	131.2 Å²	131.2	69%	0.692	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	71.8	-176	-176.5	0	0	0	0	113.8
777	K	34.2	Very low	39.1	Very low	185 Å²	185	133 Å²	133	80%	0.804	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.4	-3.2	163.7	-165.2	155.4	-176.2	171.5	0	115.1	T775	T775-K777 VanDerWaalsContact C-N 3.27Å; T775-K777 PolarHBondContact O-N 3.02Å
778	W	41.8	Very low	37.9	Very low	236 Å²	236	137.5 Å²	137.5	89%	0.894	70%	0.703	S	S	*	*	S	Bend	trans	-126	-8.6	179.9	-72.5	105.8	0	0	0	115.3
779	E	39.3	Very low	36.8	Very low	128 Å²	128	142.8 Å²	142.8	60%	0.598	73%	0.726	S	S	*	*			trans	-88	-8.1	-176	-153.7	149.4	-139.4	0	0	113.5	F781	E779-F781 PolarHBondContact O-N 2.93Å
780	L	35.6	Very low	35.8	Very low	162 Å²	162	145.9 Å²	145.9	85%	0.848	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	34.9	179.8	-158	94.9	0	0	0	113.9
781	F	31.2	Very low	34.4	Very low	199 Å²	199	151.6 Å²	151.6	87%	0.873	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146	-6.7	-176.9	-109	-76.5	0	0	0	116.1	E779	E779-F781 PolarHBondContact O-N 2.93Å
782	D	37	Very low	33.3	Very low	158 Å²	158	154.9 Å²	154.9	85%	0.845	78%	0.777	S	S	*	*	S	Bend	trans	-129.3	1.5	-174.4	-114	5	0	0	0	114.8
783	Q	30.9	Very low	32.4	Very low	146 Å²	146	159.2 Å²	159.2	68%	0.682	79%	0.786	S	S	*	*			trans	-131.1	79.8	175.9	-72.7	-177.9	-3.1	0	0	111.4
784	H	30.5	Very low	31.7	Very low	190 Å²	190	158.5 Å²	158.5	88%	0.88	78%	0.779	S	S	*	*	S	Bend	trans	-135.7	29.5	159.8	-156.7	-48.8	0	0	0	111.2
785	E	33.5	Very low	31.2	Very low	179 Å²	179	160.8 Å²	160.8	84%	0.836	78%	0.781	S	S	*	*	S	Bend	trans	-132.2	144.4	160.7	-73.7	179.3	160.6	0	0	106.3
786	E	31.2	Very low	30.9	Very low	196 Å²	196	164.2 Å²	164.2	92%	0.916	79%	0.791	S	S	*	*	S	Bend	trans	62.9	71.8	176.6	-54.3	-176.9	170.2	0	0	117.8
787	S	26.2	Very low	30.3	Very low	104 Å²	104	167.7 Å²	167.7	73%	0.727	80%	0.796	S	S	*	*			trans	-176	34.9	152.9	30.5	0	0	0	0	116.8
788	E	27.2	Very low	29.9	Very low	192 Å²	192	167.9 Å²	167.9	90%	0.897	80%	0.8	S	S	*	*	S	Bend	trans	-123.6	140.3	151.5	-74.6	-174.1	177	0	0	106.4
789	E	29.5	Very low	29.5	Very low	186 Å²	186	161.2 Å²	161.2	87%	0.869	79%	0.789	S	S	*	*	S	Bend	trans	70	118	-150.9	-51.8	172.9	-164	0	0	110.6
790	E	26.6	Very low	29	Very low	190 Å²	190	164.3 Å²	164.3	89%	0.888	80%	0.804	S	S	*	*			cis	-135.2	92.5	11.8	-62.3	-176.1	121.1	0	0	113.1
791	E	24	Very low	28.6	Very low	182 Å²	182	163.4 Å²	163.4	85%	0.85	80%	0.8	S	S	*	*			trans	-127.9	104.3	158.4	-101.3	-171.8	-167	0	0	110
792	N	25.4	Very low	28.7	Very low	135 Å²	135	161.4 Å²	161.4	72%	0.722	79%	0.793	S	S	*	*			trans	159.5	81.4	134.7	-87.4	-65.1	0	0	0	112.7
793	Q	25.3	Very low	28.3	Very low	150 Å²	150	161.5 Å²	161.5	70%	0.701	79%	0.789	S	S	*	*	S	Bend	trans	-151.2	108.8	140.5	-98.3	179.8	109.7	0	0	107.7
794	N	25.9	Very low	28.1	Very low	103 Å²	103	160.4 Å²	160.4	55%	0.551	79%	0.788	S	S	*	*			cis	-167.4	139.6	-14.3	-127.8	53.8	0	0	0	105.3	E796	N794-E796 PolarHBondContact ND2-OE2 3.32Å
795	Q	24.8	Very low	28	Very low	163 Å²	163	157.3 Å²	157.3	76%	0.762	78%	0.782	S	S	*	*			trans	-104.3	108.8	155.9	-98.6	-174.1	-31.7	0	0	108.6
796	E	28.3	Very low	27.7	Very low	166 Å²	166	157.1 Å²	157.1	78%	0.776	78%	0.781	S	S	*	*			trans	-146.7	87.1	157.6	-69.9	179.6	141.9	0	0	102.7	N794	N794-E796 PolarHBondContact ND2-OE2 3.32Å
797	E	28.5	Very low	27.3	Very low	171 Å²	171	152.7 Å²	152.7	80%	0.799	77%	0.772	S	S	*	*				65	104.4	75.2	-61.2	-155.7	153.2	0	0	113.7
798	E	26.1	Very low	27.4	Very low	190 Å²	190	152.9 Å²	152.9	89%	0.888	77%	0.773	S	S	*	*			trans	-75.4	145.2	133	-75.2	-179.5	160	0	0	106.2
799	S	32	Very low	27.2	Very low	96 Å²	96	152.2 Å²	152.2	67%	0.671	77%	0.767	S	S	*	*			cis	-173.4	158.2	5.5	47.5	0	0	0	0	110.6
800	E	28.9	Very low	27.1	Very low	193 Å²	193	147 Å²	147	90%	0.902	75%	0.751	S	S	*	*			trans	-134	100.9	158.1	-73	-166.5	157.4	0	0	112.2
801	D	28.1	Very low	27.1	Very low	142 Å²	142	146.3 Å²	146.3	76%	0.759	75%	0.748	S	S	*	*				67.9	144.8	105.5	-87.5	1.7	0	0	0	126.5
802	E	33.1	Very low	27.3	Very low	158 Å²	158	145.8 Å²	145.8	74%	0.738	75%	0.746	S	S	*	*			trans	93.7	131.9	144.7	-70	-77.6	70.2	0	0	126.2
803	E	29.3	Very low	27.4	Very low	160 Å²	160	145.9 Å²	145.9	75%	0.748	74%	0.741	S	S	*	*			trans	59.4	105.8	152.7	-61.6	-153.2	133.4	0	0	126.6
804	D	26.3	Very low	27.4	Very low	123 Å²	123	145.3 Å²	145.3	66%	0.658	74%	0.739	S	S	*	*				69.7	121.5	113.4	-149	36.7	0	0	0	124.2
805	T	28	Very low	27.4	Very low	125 Å²	125	146.9 Å²	146.9	77%	0.767	75%	0.746	S	S	*	*				175.9	121.3	113.1	31.5	0	0	0	0	116.1
806	Q	26.6	Very low	27.3	Very low	174 Å²	174	149.2 Å²	149.2	81%	0.813	75%	0.75	S	S	*	*			trans	29	109.4	147	-57	-169.4	1.1	0	0	124.7
807	S	24.4	Very low	27	Very low	103 Å²	103	146.6 Å²	146.6	72%	0.72	75%	0.75	S	S	*	*				77.3	115.6	111.6	-160.4	0	0	0	0	125
808	S	27	Very low	27.1	Very low	108 Å²	108	146 Å²	146	76%	0.755	75%	0.752	S	S	*	*			trans	75	154.7	140.3	78.9	0	0	0	0	119.7
809	K	23.5	Very low	27.6	Very low	178 Å²	178	141.9 Å²	141.9	77%	0.774	74%	0.742	S	S	*	*			cis	-160.9	152.7	13.3	-153.1	-163.6	168.9	-166.1	0	113
810	S	27.4	Very low	27.2	Very low	77 Å²	77	143.6 Å²	143.6	54%	0.538	75%	0.748	S	S	.	*			trans	39.6	145.4	143.6	60.9	0	0	0	0	122.9
811	E	27.2	Very low	27.1	Very low	176 Å²	176	144.4 Å²	144.4	82%	0.822	74%	0.743	S	S	*	*			cis	-177	178.8	-13.7	-115.7	156.6	149.6	0	0	110.4
812	E	27.6	Very low	26.9	Very low	170 Å²	170	145.8 Å²	145.8	79%	0.794	75%	0.745	S	S	*	*			trans	83.5	124.9	146	-101.2	-171.4	170.2	0	0	125.6
813	H	26.4	Very low	26.6	Very low	137 Å²	137	145.6 Å²	145.6	63%	0.634	74%	0.744	S	S	*	*			trans	82	102	130.4	-112	-119.8	0	0	0	125.3
814	H	26	Very low	26.4	Very low	139 Å²	139	146.7 Å²	146.7	64%	0.644	75%	0.751	S	S	*	*				85.8	130.2	120	-91	-136.8	0	0	0	125.6
815	L	25.2	Very low	26.7	Very low	136 Å²	136	146.7 Å²	146.7	71%	0.712	76%	0.756	S	S	*	*			trans	78.7	113.7	139	-69	170.2	0	0	0	123.5
816	Y	23.2	Very low	26.5	Very low	211 Å²	211	147.9 Å²	147.9	83%	0.827	75%	0.753	S	S	*	*			trans	49.8	108.6	131.5	-95.2	-103.3	0	0	0	120.4
817	S	23.5	Very low	26.8	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	76%	0.755	S	S	*	*				179.3	134.5	93.4	-76.3	0	0	0	0	112.3
818	N	30.5	Very low	27.3	Very low	158 Å²	158	148 Å²	148	85%	0.845	75%	0.753	S	S	*	*			trans	-110.4	137.7	175.8	-162	-1.4	0	0	0	109.4
819	P	35.8	Very low	27.3	Very low	104 Å²	104	152 Å²	152	68%	0.675	76%	0.757	S	S	*	*			trans	-141.9	128.6	144.2	33.9	-17.9	0	0	0	114.5
820	V	24.4	Very low	27.5	Very low	132 Å²	132	149.5 Å²	149.5	80%	0.8	76%	0.762	S	S	*	*			trans	71.6	138.6	141.8	171.3	0	0	0	0	117
821	R	24.9	Very low	27.6	Very low	210 Å²	210	155.2 Å²	155.2	79%	0.792	78%	0.777	S	S	*	*			cis	-180	138.1	-16.4	176.7	-166.8	170.8	150	-3.6	106.9
822	E	24.4	Very low	27.6	Very low	170 Å²	170	155.5 Å²	155.5	79%	0.794	77%	0.772	S	S	*	*			trans	156.3	127.4	131.2	-83	-166.6	154.7	0	0	111.7
823	E	27.4	Very low	27.9	Very low	155 Å²	155	152.2 Å²	152.2	72%	0.724	77%	0.768	S	S	*	*			trans	-76.4	135.6	168.3	-56.8	177.9	120.6	0	0	109.3	K971	E823-K971 IonicContact OE2-NZ 2.58Å; E823-K971 PolarHBondContact OE2-NZ 3.5Å
824	M	25.4	Very low	28.5	Very low	182 Å²	182	154.9 Å²	154.9	90%	0.897	78%	0.781	S	S	*	*			trans	-150.5	129.6	142.4	-157.6	60.7	166.6	0	0	111
825	T	31.9	Very low	29.6	Very low	124 Å²	124	152 Å²	152	76%	0.761	77%	0.768	S	S	*	*			trans	-76.9	136.9	-179	54.1	0	0	0	0	111.8
826	E	24.6	Very low	31.5	Very low	149 Å²	149	148.6 Å²	148.6	70%	0.696	76%	0.756	S	S	*	*			trans	-139	108.9	152.6	-160.5	168.1	-173.3	0	0	113.9	K828	E826-K828 HydrophobicContact CG-CB 4.43Å; E826-K828 PolarHBondContact O-N 2.87Å; E826-K828 WeakPolarHBondContact OE1-CE 3.45Å; E826-K828 IonicContact OE1-NZ 3.62Å; E826-K828 PolarHBondContact OE1-NZ 3.3Å
827	S	32.3	Very low	33.6	Very low	123 Å²	123	146.5 Å²	146.5	86%	0.86	75%	0.754	S	S	*	*			trans	-73.7	86.6	177.3	-47.5	0	0	0	0	111.1
828	K	34.2	Very low	35.9	Very low	157 Å²	157	146.7 Å²	146.7	68%	0.683	74%	0.743	S	S	*	*			trans	-152	21.7	-177.8	-142.8	173.1	-84.6	161.4	0	118.6	E826	E826-K828 HydrophobicContact CG-CB 4.43Å; E826-K828 PolarHBondContact O-N 2.87Å; E826-K828 WeakPolarHBondContact OE1-CE 3.45Å; E826-K828 IonicContact OE1-NZ 3.62Å; E826-K828 PolarHBondContact OE1-NZ 3.3Å
829	F	28.3	Very low	38.1	Very low	191 Å²	191	142.4 Å²	142.4	84%	0.838	72%	0.716	S	S	*	*			trans	-143.5	78.7	170	-143.8	-90.2	0	0	0	115
830	S	26.5	Very low	40	Very low	127 Å²	127	144.2 Å²	144.2	89%	0.888	71%	0.71	S	S	*	*			trans	-161.2	70.9	155.9	-107.3	0	0	0	0	108.7
831	K	29.8	Very low	42.8	Very low	196 Å²	196	140.6 Å²	140.6	85%	0.852	69%	0.694	S	S	*	*			trans	-149.6	46.2	176.4	-154.3	-175.9	179.9	-179.8	0	113
832	Y	28.5	Very low	45.6	Very low	182 Å²	182	132.4 Å²	132.4	71%	0.714	66%	0.664	S	S	*	*			trans	-141.2	150.2	167.4	-94.2	-84.6	0	0	0	109.6	E893	Y832-E893 PolarHBondContact OH-OE1 3.13Å
833	S	32.8	Very low	48.5	Very low	102 Å²	102	127.3 Å²	127.3	71%	0.713	64%	0.642	S	S	*	*			trans	75.2	47.5	169.1	-157.3	0	0	0	0	119.2
834	E	38.1	Very low	51.3	Low	192 Å²	192	126.4 Å²	126.4	90%	0.897	63%	0.632	S	S	*	*	P	Polyproline II helix		-77.8	121.6	117.8	-78.6	-171.7	115.3	0	0	107.1	S836	E834-S836 PolarHBondContact O-N 3.09Å
835	M	50.4	Low	54.4	Low	78 Å²	78	122.5 Å²	122.5	38%	0.384	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-74.5	119.1	172.6	-74.6	-152.9	-66.7	0	0	109.6	K839 R840 L843	M835-K839 HydrophobicContact CB-CD 4.48Å; M835-K839 HydrophobicContact CG-CD 4.15Å; M835-K839 HydrophobicContact SD-CD 3.77Å; M835-K839 HydrophobicContact SD-CG 4.14Å; M835-R840 PolarHBondContact O-NE 2.86Å; M835-L843 HydrophobicContact CE-CD1 4.24Å
836	S	64.8	Low	57.3	Low	66 Å²	66	117 Å²	117	46%	0.462	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-58.6	151.4	176.3	63.9	0	0	0	0	111.8	E834 E838 K839 R840	E834-S836 PolarHBondContact O-N 3.09Å; S836-E838 PolarHBondContact O-N 3.14Å; S836-K839 WeakPolarHBondContact O-CA 3.23Å; S836-K839 VanDerWaalsContact O-CB 3.3Å; S836-K839 WeakPolarHBondContact O-CB 3.17Å; S836-K839 PolarHBondContact O-N 2.75Å; S836-R840 PolarHBondContact O-N 2.92Å; S836-R840 VanDerWaalsContact O-N 3.15Å
837	E	67.6	Low	60.4	Low	166 Å²	166	112.7 Å²	112.7	78%	0.776	56%	0.557	S	S	*	*	H	α-helix	trans	-56.7	-37.2	178.2	-170.3	164.7	-144.6	0	0	112.5	K839 R840 A841	E837-K839 PolarHBondContact O-N 2.83Å; E837-R840 PolarHBondContact O-N 3.13Å; E837-R840 VanDerWaalsContact O-N 3.12Å; E837-A841 WeakPolarHBondContact O-CB 3.3Å; E837-A841 PolarHBondContact O-N 3.01Å
838	E	72.3	Confident	63.1	Low	117 Å²	117	112.4 Å²	112.4	55%	0.547	55%	0.545	S	S	.	.	H	α-helix	trans	-56.6	-34.9	171.9	-164.6	-162.2	158.2	0	0	112.7	S836 K842	S836-E838 PolarHBondContact O-N 3.14Å; E838-K842 WeakPolarHBondContact O-CD 3.32Å; E838-K842 WeakPolarHBondContact O-CG 3.26Å; E838-K842 PolarHBondContact O-N 3.05Å; E838-K842 WeakPolarHBondContact OE1-CE 3.45Å; E838-K842 IonicContact OE1-NZ 2.71Å; E838-K842 PolarHBondContact OE1-NZ 3.23Å
839	K	76.5	Confident	65.8	Low	67 Å²	67	108.6 Å²	108.6	29%	0.291	53%	0.529	S	S	.	.	H	α-helix	trans	-75.8	-39.2	176.8	-167.9	167.6	-171.2	155.7	0	111.6	M835 S836 E837 K842 L843 E889	M835-K839 HydrophobicContact CB-CD 4.48Å; M835-K839 HydrophobicContact CG-CD 4.15Å; M835-K839 HydrophobicContact SD-CD 3.77Å; M835-K839 HydrophobicContact SD-CG 4.14Å; S836-K839 WeakPolarHBondContact O-CA 3.23Å; S836-K839 VanDerWaalsContact O-CB 3.3Å; S836-K839 WeakPolarHBondContact O-CB 3.17Å; S836-K839 PolarHBondContact O-N 2.75Å; E837-K839 PolarHBondContact O-N 2.83Å; K839-K842 PolarHBondContact O-N 2.87Å; K839-L843 WeakPolarHBondContact O-CG 3.33Å; K839-L843 PolarHBondContact O-N 2.79Å; K839-L843 VanDerWaalsContact O-N 3.09Å; K839-E889 WeakPolarHBondContact CD-OE1 3.47Å; K839-E889 WeakPolarHBondContact CE-OE1 3.47Å; K839-E889 WeakPolarHBondContact CE-OE2 3.29Å; K839-E889 IonicContact NZ-OE1 3.67Å; K839-E889 PolarHBondContact NZ-OE1 3.13Å; K839-E889 IonicContact NZ-OE2 2.72Å; K839-E889 PolarHBondContact NZ-OE2 3.18Å
840	R	75.4	Confident	68.9	Low	143 Å²	143	99.9 Å²	99.9	54%	0.54	49%	0.491	S	S	.	.	H	α-helix	trans	-62.2	-44.4	173.2	-58.8	-178.2	-169.6	-175.5	-1	111.2	M835 S836 E837 K842 L843 R844	M835-R840 PolarHBondContact O-NE 2.86Å; S836-R840 PolarHBondContact O-N 2.92Å; S836-R840 VanDerWaalsContact O-N 3.15Å; E837-R840 PolarHBondContact O-N 3.13Å; E837-R840 VanDerWaalsContact O-N 3.12Å; R840-K842 PolarHBondContact O-N 3.29Å; R840-L843 PolarHBondContact O-N 3.2Å; R840-R844 PolarHBondContact O-N 3.06Å
841	A	81.9	Confident	71.8	Confident	56 Å²	56	99 Å²	99	46%	0.463	47%	0.474	S	S	.	.	H	α-helix	trans	-60.6	-42.3	176.3	0	0	0	0	0	112.4	E837 L843 R844 E845	E837-A841 WeakPolarHBondContact O-CB 3.3Å; E837-A841 PolarHBondContact O-N 3.01Å; A841-L843 PolarHBondContact O-N 3.26Å; A841-R844 PolarHBondContact O-N 2.93Å; A841-E845 PolarHBondContact O-N 2.83Å
842	K	84.7	Confident	74.6	Confident	38 Å²	38	95.6 Å²	95.6	17%	0.165	46%	0.459	C	S	.	.	H	α-helix	trans	-65.9	-33.6	175.7	-76.4	166.8	-176.7	170	0	113.6	E838 K839 R840 E845 I846 E885	E838-K842 WeakPolarHBondContact O-CD 3.32Å; E838-K842 WeakPolarHBondContact O-CG 3.26Å; E838-K842 PolarHBondContact O-N 3.05Å; E838-K842 WeakPolarHBondContact OE1-CE 3.45Å; E838-K842 IonicContact OE1-NZ 2.71Å; E838-K842 PolarHBondContact OE1-NZ 3.23Å; K839-K842 PolarHBondContact O-N 2.87Å; R840-K842 PolarHBondContact O-N 3.29Å; K842-E845 PolarHBondContact O-N 2.98Å; K842-I846 VanDerWaalsContact O-CG1 3.3Å; K842-I846 WeakPolarHBondContact O-CG1 3.42Å; K842-I846 PolarHBondContact O-N 3.3Å; K842-E885 HydrophobicContact CB-CG 4.29Å; K842-E885 HydrophobicContact CD-CG 4.12Å; K842-E885 IonicContact NZ-OE1 2.71Å
843	L	84.2	Confident	77.6	Confident	63 Å²	63	87.8 Å²	87.8	33%	0.33	43%	0.429	S	S	.	.	H	α-helix	trans	-65.9	-46.2	172.1	-68.3	169.6	0	0	0	110.5	M835 K839 R840 A841 E845 I846 E847 L882	M835-L843 HydrophobicContact CE-CD1 4.24Å; K839-L843 WeakPolarHBondContact O-CG 3.33Å; K839-L843 PolarHBondContact O-N 2.79Å; K839-L843 VanDerWaalsContact O-N 3.09Å; R840-L843 PolarHBondContact O-N 3.2Å; A841-L843 PolarHBondContact O-N 3.26Å; L843-E845 VanDerWaalsContact C-N 3.3Å; L843-E845 PolarHBondContact O-N 3.47Å; L843-I846 WeakPolarHBondContact O-CA 3.07Å; L843-I846 WeakPolarHBondContact O-CB 3.37Å; L843-I846 PolarHBondContact O-N 2.98Å; L843-E847 PolarHBondContact O-N 2.84Å; L843-L882 HydrophobicContact CD2-CD2 3.5Å; L843-L882 VanDerWaalsContact CD2-CD2 3.5Å
844	R	86.9	Confident	80.2	Confident	136 Å²	136	85.5 Å²	85.5	51%	0.513	41%	0.407	S	S	.	.	H	α-helix	trans	-56.8	-41.1	172.1	-64.7	179.6	-174.9	-178.4	1.8	112.5	R840 A841 I846 E847 L848	R840-R844 PolarHBondContact O-N 3.06Å; A841-R844 PolarHBondContact O-N 2.93Å; R844-I846 PolarHBondContact O-N 3.3Å; R844-E847 PolarHBondContact O-N 3.22Å; R844-L848 WeakPolarHBondContact O-CG 3.48Å; R844-L848 PolarHBondContact O-N 3.36Å
845	E	90.6	Very high	82.5	Confident	99 Å²	99	80 Å²	80	46%	0.463	38%	0.384	S	S	.	.	H	α-helix	trans	-67.4	-21.4	176	-155.2	-149.1	155.4	0	0	113.6	A841 K842 L843 K849	A841-E845 PolarHBondContact O-N 2.83Å; K842-E845 PolarHBondContact O-N 2.98Å; L843-E845 VanDerWaalsContact C-N 3.3Å; L843-E845 PolarHBondContact O-N 3.47Å; E845-K849 WeakPolarHBondContact O-CD 3.29Å; E845-K849 VanDerWaalsContact O-CE 3.28Å; E845-K849 WeakPolarHBondContact O-CE 3.48Å; E845-K849 WeakPolarHBondContact O-CG 3.46Å; E845-K849 PolarHBondContact O-NZ 2.85Å; E845-K849 WeakPolarHBondContact OE1-CE 3.28Å; E845-K849 IonicContact OE1-NZ 3.68Å; E845-K849 PolarHBondContact OE1-NZ 3.41Å; E845-K849 IonicContact OE2-NZ 2.67Å
846	I	91.9	Very high	84.3	Confident	8 Å²	8	78.4 Å²	78.4	4%	0.041	38%	0.376	C	S	.	.	H	α-helix	trans	-81.2	-47.6	172.5	-72.8	167.8	0	0	0	109.7	K842 L843 R844 L848 K849 V850 L881 L882 E885	K842-I846 VanDerWaalsContact O-CG1 3.3Å; K842-I846 WeakPolarHBondContact O-CG1 3.42Å; K842-I846 PolarHBondContact O-N 3.3Å; L843-I846 WeakPolarHBondContact O-CA 3.07Å; L843-I846 WeakPolarHBondContact O-CB 3.37Å; L843-I846 PolarHBondContact O-N 2.98Å; R844-I846 PolarHBondContact O-N 3.3Å; I846-L848 PolarHBondContact O-N 3.48Å; I846-K849 WeakPolarHBondContact O-CA 3.34Å; I846-K849 WeakPolarHBondContact O-CB 3.41Å; I846-K849 PolarHBondContact O-N 3.05Å; I846-V850 HydrophobicContact CG2-CG2 4.35Å; I846-V850 WeakPolarHBondContact O-CG2 3.41Å; I846-V850 PolarHBondContact O-N 3.4Å; I846-L881 HydrophobicContact CB-CB 4.5Å; I846-L881 HydrophobicContact CG1-CB 4.2Å; I846-L881 HydrophobicContact CG2-CB 3.67Å; I846-L881 HydrophobicContact CG2-CD1 4.2Å; I846-L882 HydrophobicContact CD1-CD2 4Å; I846-L882 HydrophobicContact CG2-CD2 4.08Å; I846-L882 HydrophobicContact CG2-CG 4.2Å; I846-E885 HydrophobicContact CD1-CB 3.88Å; I846-E885 HydrophobicContact CD1-CG 4.49Å
847	E	90.1	Very high	85.3	Confident	60 Å²	60	76 Å²	76	28%	0.28	36%	0.357	S	S	.	.	H	α-helix	trans	-61.1	-42.1	179.1	-58.8	-52.4	165.3	0	0	112.4	L843 R844 K849 V850 M851 R878	L843-E847 PolarHBondContact O-N 2.84Å; R844-E847 PolarHBondContact O-N 3.22Å; E847-K849 PolarHBondContact O-N 2.84Å; E847-K849 VanDerWaalsContact O-N 3.14Å; E847-V850 WeakPolarHBondContact O-CA 3.47Å; E847-V850 WeakPolarHBondContact O-CB 3.38Å; E847-V850 PolarHBondContact O-N 3.25Å; E847-M851 WeakPolarHBondContact O-CB 3.35Å; E847-M851 PolarHBondContact O-N 3.44Å; E847-R878 VanDerWaalsContact CD-NE 3.31Å; E847-R878 IonicContact OE1-CZ 3.28Å; E847-R878 VanDerWaalsContact OE1-CZ 3.29Å; E847-R878 IonicContact OE1-NE 2.89Å; E847-R878 PolarHBondContact OE1-NE 2.9Å; E847-R878 IonicContact OE1-NH2 3.18Å; E847-R878 PolarHBondContact OE1-NH2 3.02Å; E847-R878 IonicContact OE2-CZ 3.95Å; E847-R878 VanDerWaalsContact OE2-CZ 3.28Å; E847-R878 IonicContact OE2-NE 2.78Å; E847-R878 PolarHBondContact OE2-NE 2.58Å; E847-R878 IonicContact OE2-NH2 3.29Å; E847-R878 PolarHBondContact OE2-NH2 3.17Å
848	L	89.6	Confident	86	Confident	116 Å²	116	73.7 Å²	73.7	61%	0.607	35%	0.347	S	S	*	.	H	α-helix	trans	-58.7	-27.9	173.4	-72.7	170.5	0	0	0	113.4	R844 I846 K852	R844-L848 WeakPolarHBondContact O-CG 3.48Å; R844-L848 PolarHBondContact O-N 3.36Å; I846-L848 PolarHBondContact O-N 3.48Å; L848-K852 VanDerWaalsContact O-CB 3.27Å; L848-K852 WeakPolarHBondContact O-CB 3.24Å; L848-K852 PolarHBondContact O-N 3.32Å
849	K	91.4	Very high	86.6	Confident	78 Å²	78	71.1 Å²	71.1	34%	0.339	34%	0.341	S	S	.	.	H	α-helix	trans	-82.2	-29.8	174.3	-69.3	166.2	-168.4	148.8	0	112.4	E845 I846 E847 F853 Y877 L881	E845-K849 WeakPolarHBondContact O-CD 3.29Å; E845-K849 VanDerWaalsContact O-CE 3.28Å; E845-K849 WeakPolarHBondContact O-CE 3.48Å; E845-K849 WeakPolarHBondContact O-CG 3.46Å; E845-K849 PolarHBondContact O-NZ 2.85Å; E845-K849 WeakPolarHBondContact OE1-CE 3.28Å; E845-K849 IonicContact OE1-NZ 3.68Å; E845-K849 PolarHBondContact OE1-NZ 3.41Å; E845-K849 IonicContact OE2-NZ 2.67Å; I846-K849 WeakPolarHBondContact O-CA 3.34Å; I846-K849 WeakPolarHBondContact O-CB 3.41Å; I846-K849 PolarHBondContact O-N 3.05Å; E847-K849 PolarHBondContact O-N 2.84Å; E847-K849 VanDerWaalsContact O-N 3.14Å; K849-F853 WeakPolarHBondContact O-CB 3.26Å; K849-F853 PolarHBondContact O-N 3.01Å; K849-Y877 WeakPolarHBondContact O-CE1 3.49Å; K849-L881 HydrophobicContact CB-CD1 3.74Å; K849-L881 HydrophobicContact CD-CD1 4.4Å
850	V	93.6	Very high	86.6	Confident	8 Å²	8	70.7 Å²	70.7	5%	0.048	36%	0.356	C	S	.	.	H	α-helix	trans	-71.2	-50.8	175.3	175.2	0	0	0	0	109.7	I846 E847 K852 F853 Q854 V874 Y877 R878 L881	I846-V850 HydrophobicContact CG2-CG2 4.35Å; I846-V850 WeakPolarHBondContact O-CG2 3.41Å; I846-V850 PolarHBondContact O-N 3.4Å; E847-V850 WeakPolarHBondContact O-CA 3.47Å; E847-V850 WeakPolarHBondContact O-CB 3.38Å; E847-V850 PolarHBondContact O-N 3.25Å; V850-K852 PolarHBondContact O-N 3.21Å; V850-F853 CarbonylContact O-C 3.49Å; V850-F853 WeakPolarHBondContact O-CA 3.36Å; V850-F853 WeakPolarHBondContact O-CB 3.24Å; V850-F853 PolarHBondContact O-N 3.29Å; V850-Q854 WeakPolarHBondContact O-CB 3.33Å; V850-Q854 PolarHBondContact O-N 3.47Å; V850-V874 HydrophobicContact CG1-CG1 3.52Å; V850-Y877 HydrophobicContact CG2-CD1 4.36Å; V850-R878 HydrophobicContact CB-CB 4.49Å; V850-R878 HydrophobicContact CG1-CB 4.02Å; V850-R878 HydrophobicContact CG1-CG 4.41Å; V850-R878 VanDerWaalsContact CG2-CA 3.5Å; V850-R878 HydrophobicContact CG2-CB 3.59Å; V850-R878 HydrophobicContact CG2-CG 3.86Å; V850-L881 HydrophobicContact CG2-CD1 4.11Å
851	M	86.2	Confident	86.8	Confident	108 Å²	108	71.4 Å²	71.4	53%	0.532	36%	0.363	S	S	.	.	H	α-helix	trans	-55	-49.4	173.9	-166.3	-176.2	106.5	0	0	111	E847 F853 Q854 D855	E847-M851 WeakPolarHBondContact O-CB 3.35Å; E847-M851 PolarHBondContact O-N 3.44Å; M851-F853 VanDerWaalsContact C-N 3.29Å; M851-F853 PolarHBondContact O-N 3.3Å; M851-Q854 CarbonylContact O-C 3.52Å; M851-Q854 WeakPolarHBondContact O-CA 3.31Å; M851-Q854 VanDerWaalsContact O-CB 3.3Å; M851-Q854 WeakPolarHBondContact O-CB 3.24Å; M851-Q854 PolarHBondContact O-N 3.24Å; M851-Q854 VanDerWaalsContact O-N 3.12Å; M851-D855 VanDerWaalsContact O-CG 3.29Å; M851-D855 PolarHBondContact O-N 2.9Å
852	K	88.8	Confident	86.7	Confident	125 Å²	125	73.2 Å²	73.2	54%	0.543	36%	0.358	S	S	.	.	H	α-helix	trans	-62.3	-32.3	174.7	179.2	166.6	178.3	167.5	0	113.9	L848 V850 E856	L848-K852 VanDerWaalsContact O-CB 3.27Å; L848-K852 WeakPolarHBondContact O-CB 3.24Å; L848-K852 PolarHBondContact O-N 3.32Å; V850-K852 PolarHBondContact O-N 3.21Å; K852-E856 WeakPolarHBondContact CE-OE1 3.44Å; K852-E856 IonicContact NZ-OE1 3.27Å; K852-E856 WeakPolarHBondContact O-CB 3.45Å; K852-E856 VanDerWaalsContact O-CG 3.25Å; K852-E856 WeakPolarHBondContact O-CG 3.28Å; K852-E856 PolarHBondContact O-N 2.88Å
853	F	91.3	Very high	86.3	Confident	17 Å²	17	76.9 Å²	76.9	8%	0.075	39%	0.386	C	S	.	.	H	α-helix	trans	-74.7	-32.6	176.1	177.4	-92.2	0	0	0	111.9	K849 V850 M851 L857 Q873 V874 Y877	K849-F853 WeakPolarHBondContact O-CB 3.26Å; K849-F853 PolarHBondContact O-N 3.01Å; V850-F853 CarbonylContact O-C 3.49Å; V850-F853 WeakPolarHBondContact O-CA 3.36Å; V850-F853 WeakPolarHBondContact O-CB 3.24Å; V850-F853 PolarHBondContact O-N 3.29Å; M851-F853 VanDerWaalsContact C-N 3.29Å; M851-F853 PolarHBondContact O-N 3.3Å; F853-L857 HydrophobicContact CD1-CD1 3.81Å; F853-L857 HydrophobicContact CE1-CD1 3.38Å; F853-L857 HydrophobicContact CE1-CG 4.34Å; F853-L857 HydrophobicContact CZ-CD1 3.93Å; F853-L857 WeakPolarHBondContact O-CG 3.28Å; F853-L857 PolarHBondContact O-N 2.98Å; F853-L857 VanDerWaalsContact O-N 3.13Å; F853-Q873 HydrophobicContact CE1-CG 4.31Å; F853-Q873 WeakPolarHBondContact CE1-O 3.25Å; F853-Q873 HydrophobicContact CZ-CG 4.36Å; F853-V874 HydrophobicContact CD1-CG2 4.38Å; F853-Y877 HydrophobicContact CB-CD1 3.55Å; F853-Y877 HydrophobicContact CB-CE1 3.41Å; F853-Y877 VanDerWaalsContact CB-CE1 3.41Å; F853-Y877 HydrophobicContact CB-CG 4.35Å; F853-Y877 AromaticContact CD1-CD1 3.61Å; F853-Y877 HydrophobicContact CD1-CD1 3.61Å; F853-Y877 HydrophobicContact CD1-CD2 4.36Å; F853-Y877 HydrophobicContact CD1-CE1 4.26Å; F853-Y877 AromaticContact CD1-CG 3.65Å; F853-Y877 HydrophobicContact CD1-CG 3.65Å; F853-Y877 AromaticContact CD2-CD1 3.93Å; F853-Y877 HydrophobicContact CD2-CD1 3.93Å; F853-Y877 AromaticContact CD2-CD2 3.89Å; F853-Y877 HydrophobicContact CD2-CD2 3.89Å; F853-Y877 AromaticContact CD2-CE1 3.86Å; F853-Y877 HydrophobicContact CD2-CE1 3.86Å; F853-Y877 AromaticContact CD2-CE2 3.82Å; F853-Y877 HydrophobicContact CD2-CE2 3.82Å; F853-Y877 AromaticContact CD2-CG 3.93Å; F853-Y877 HydrophobicContact CD2-CG 3.93Å; F853-Y877 AromaticContact CD2-CZ 3.79Å; F853-Y877 HydrophobicContact CE1-CD1 4.23Å; F853-Y877 HydrophobicContact CE1-CD2 4.26Å; F853-Y877 AromaticContact CE1-CG 3.78Å; F853-Y877 HydrophobicContact CE1-CG 3.78Å; F853-Y877 AromaticContact CE2-CD2 3.78Å; F853-Y877 HydrophobicContact CE2-CD2 3.78Å; F853-Y877 AromaticContact CE2-CE2 3.99Å; F853-Y877 HydrophobicContact CE2-CE2 3.99Å; F853-Y877 HydrophobicContact CE2-CG 4.06Å; F853-Y877 AromaticContact CG-CD1 3.43Å; F853-Y877 HydrophobicContact CG-CD1 3.43Å; F853-Y877 VanDerWaalsContact CG-CD1 3.43Å; F853-Y877 HydrophobicContact CG-CD2 4.17Å; F853-Y877 AromaticContact CG-CE1 3.6Å; F853-Y877 HydrophobicContact CG-CE1 3.6Å; F853-Y877 HydrophobicContact CG-CE2 4.33Å; F853-Y877 AromaticContact CG-CG 3.72Å; F853-Y877 HydrophobicContact CG-CG 3.72Å; F853-Y877 AromaticContact CZ-CD2 3.98Å; F853-Y877 HydrophobicContact CZ-CD2 3.98Å; F853-Y877 AromaticContact CZ-CG 3.98Å; F853-Y877 HydrophobicContact CZ-CG 3.98Å
854	Q	88.1	Confident	86	Confident	55 Å²	55	79.5 Å²	79.5	26%	0.257	40%	0.395	S	S	.	.	H	α-helix	trans	-62.9	-56	168.3	-178.3	173.3	-16.1	0	0	110.1	V850 M851 E856 L857 E858 F870 V874	V850-Q854 WeakPolarHBondContact O-CB 3.33Å; V850-Q854 PolarHBondContact O-N 3.47Å; M851-Q854 CarbonylContact O-C 3.52Å; M851-Q854 WeakPolarHBondContact O-CA 3.31Å; M851-Q854 VanDerWaalsContact O-CB 3.3Å; M851-Q854 WeakPolarHBondContact O-CB 3.24Å; M851-Q854 PolarHBondContact O-N 3.24Å; M851-Q854 VanDerWaalsContact O-N 3.12Å; Q854-E856 PolarHBondContact O-N 3.47Å; Q854-L857 CarbonylContact O-C 3.55Å; Q854-L857 WeakPolarHBondContact O-CA 3.33Å; Q854-L857 WeakPolarHBondContact O-CB 3.37Å; Q854-L857 PolarHBondContact O-N 3.22Å; Q854-E858 HydrophobicContact CG-CG 4.31Å; Q854-E858 VanDerWaalsContact CG-OE1 3.22Å; Q854-E858 WeakPolarHBondContact CG-OE1 3.39Å; Q854-E858 PolarHBondContact NE2-OE1 3.43Å; Q854-E858 PolarHBondContact O-N 2.86Å; Q854-F870 HydrophobicContact CG-CE1 3.77Å; Q854-F870 HydrophobicContact CG-CZ 3.74Å; Q854-V874 HydrophobicContact CB-CG1 4.07Å; Q854-V874 HydrophobicContact CB-CG2 3.95Å; Q854-V874 HydrophobicContact CG-CG2 4.17Å
855	D	85.6	Confident	85.7	Confident	77 Å²	77	78 Å²	78	41%	0.412	39%	0.392	S	S	.	.	H	α-helix	trans	-50.6	-43.2	175	-64.3	-23.2	0	0	0	112.5	M851 L857 E858 S859	M851-D855 VanDerWaalsContact O-CG 3.29Å; M851-D855 PolarHBondContact O-N 2.9Å; D855-L857 VanDerWaalsContact C-N 3.31Å; D855-L857 PolarHBondContact O-N 3.44Å; D855-E858 PolarHBondContact O-N 2.84Å; D855-S859 VanDerWaalsContact O-CB 3.27Å; D855-S859 WeakPolarHBondContact O-CB 3.27Å; D855-S859 PolarHBondContact O-N 2.85Å; D855-S859 PolarHBondContact O-OG 3.24Å
856	E	88.2	Confident	84.4	Confident	44 Å²	44	79.5 Å²	79.5	21%	0.206	41%	0.41	C	S	.	.	H	α-helix	trans	-71.6	-22.7	179.4	-76	176.2	-170.8	0	0	113	K852 Q854 K861 R862	K852-E856 WeakPolarHBondContact CE-OE1 3.44Å; K852-E856 IonicContact NZ-OE1 3.27Å; K852-E856 WeakPolarHBondContact O-CB 3.45Å; K852-E856 VanDerWaalsContact O-CG 3.25Å; K852-E856 WeakPolarHBondContact O-CG 3.28Å; K852-E856 PolarHBondContact O-N 2.88Å; Q854-E856 PolarHBondContact O-N 3.47Å; E856-K861 CarbonylContact O-C 3.45Å; E856-K861 WeakPolarHBondContact O-CA 3.35Å; E856-K861 WeakPolarHBondContact O-CB 3.25Å; E856-K861 PolarHBondContact O-N 3.29Å; E856-K861 VanDerWaalsContact O-N 3.07Å; E856-R862 HydrophobicContact CB-CG 4.06Å; E856-R862 PolarHBondContact O-N 3.37Å; E856-R862 IonicContact OE2-CZ 3.12Å; E856-R862 IonicContact OE2-NE 2.72Å; E856-R862 PolarHBondContact OE2-NE 2.91Å; E856-R862 IonicContact OE2-NH2 2.68Å; E856-R862 PolarHBondContact OE2-NH2 3.34Å
857	L	87.5	Confident	83.6	Confident	14 Å²	14	83.2 Å²	83.2	7%	0.073	45%	0.45	C	S	.	.	H	α-helix	trans	-83	-42.9	169	-72.6	166.2	0	0	0	112.2	F853 Q854 D855 G860 R862 F870 Q873 V874	F853-L857 HydrophobicContact CD1-CD1 3.81Å; F853-L857 HydrophobicContact CE1-CD1 3.38Å; F853-L857 HydrophobicContact CE1-CG 4.34Å; F853-L857 HydrophobicContact CZ-CD1 3.93Å; F853-L857 WeakPolarHBondContact O-CG 3.28Å; F853-L857 PolarHBondContact O-N 2.98Å; F853-L857 VanDerWaalsContact O-N 3.13Å; Q854-L857 CarbonylContact O-C 3.55Å; Q854-L857 WeakPolarHBondContact O-CA 3.33Å; Q854-L857 WeakPolarHBondContact O-CB 3.37Å; Q854-L857 PolarHBondContact O-N 3.22Å; D855-L857 VanDerWaalsContact C-N 3.31Å; D855-L857 PolarHBondContact O-N 3.44Å; L857-G860 PolarHBondContact O-N 3.46Å; L857-G860 VanDerWaalsContact O-N 3.14Å; L857-R862 HydrophobicContact CD2-CB 3.55Å; L857-R862 HydrophobicContact CG-CB 4.07Å; L857-F870 HydrophobicContact CB-CD2 4.4Å; L857-F870 HydrophobicContact CB-CE2 3.46Å; L857-F870 VanDerWaalsContact CB-CE2 3.46Å; L857-F870 HydrophobicContact CB-CZ 3.96Å; L857-Q873 HydrophobicContact CD1-CB 4.44Å; L857-Q873 HydrophobicContact CD1-CG 4.09Å; L857-V874 HydrophobicContact CD1-CG2 3.98Å
858	E	82.1	Confident	82.8	Confident	119 Å²	119	83.1 Å²	83.1	56%	0.556	45%	0.45	S	S	*	.	H	α-helix	trans	-66.4	-43.3	179.8	-62.4	-170.6	-163.4	0	0	111.7	Q854 D855 G860 F870	Q854-E858 HydrophobicContact CG-CG 4.31Å; Q854-E858 VanDerWaalsContact CG-OE1 3.22Å; Q854-E858 WeakPolarHBondContact CG-OE1 3.39Å; Q854-E858 PolarHBondContact NE2-OE1 3.43Å; Q854-E858 PolarHBondContact O-N 2.86Å; D855-E858 PolarHBondContact O-N 2.84Å; E858-G860 PolarHBondContact O-N 2.74Å; E858-F870 HydrophobicContact CB-CZ 4.48Å; E858-F870 HydrophobicContact CG-CE1 4.01Å; E858-F870 HydrophobicContact CG-CE2 3.61Å; E858-F870 HydrophobicContact CG-CZ 3.23Å
859	S	83	Confident	82.5	Confident	62 Å²	62	79.8 Å²	79.8	43%	0.434	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	9.5	174	64.5	0	0	0	0	114.2	D855 K861	D855-S859 VanDerWaalsContact O-CB 3.27Å; D855-S859 WeakPolarHBondContact O-CB 3.27Å; D855-S859 PolarHBondContact O-N 2.85Å; D855-S859 PolarHBondContact O-OG 3.24Å; S859-K861 PolarHBondContact O-N 2.94Å; S859-K861 VanDerWaalsContact O-N 3.07Å; S859-K861 WeakPolarHBondContact OG-CD 3.46Å; S859-K861 WeakPolarHBondContact OG-CE 3.44Å; S859-K861 PolarHBondContact OG-NZ 3.01Å
860	G	77.8	Confident	81.7	Confident	59 Å²	59	78.5 Å²	78.5	61%	0.608	43%	0.43	S	S	*	.	S	Bend	trans	67.8	3.8	175.5	0	0	0	0	0	115.6	L857 E858 R862	L857-G860 PolarHBondContact O-N 3.46Å; L857-G860 VanDerWaalsContact O-N 3.14Å; E858-G860 PolarHBondContact O-N 2.74Å; G860-R862 PolarHBondContact O-N 2.77Å
861	K	80.1	Confident	81.2	Confident	158 Å²	158	82.6 Å²	82.6	69%	0.687	45%	0.449	S	S	*	.	S	Bend	trans	-68.5	-24.2	-179	-63.4	171.8	-170.4	136.1	0	112.3	E856 S859	E856-K861 CarbonylContact O-C 3.45Å; E856-K861 WeakPolarHBondContact O-CA 3.35Å; E856-K861 WeakPolarHBondContact O-CB 3.25Å; E856-K861 PolarHBondContact O-N 3.29Å; E856-K861 VanDerWaalsContact O-N 3.07Å; S859-K861 PolarHBondContact O-N 2.94Å; S859-K861 VanDerWaalsContact O-N 3.07Å; S859-K861 WeakPolarHBondContact OG-CD 3.46Å; S859-K861 WeakPolarHBondContact OG-CE 3.44Å; S859-K861 PolarHBondContact OG-NZ 3.01Å
862	R	78.9	Confident	81.2	Confident	94 Å²	94	81.7 Å²	81.7	36%	0.355	44%	0.444	S	S	.	.	S	Bend	trans	-113.7	133	169.3	-69.4	176.8	-174.2	-108.1	1.4	109.2	E856 L857 G860 K864	E856-R862 HydrophobicContact CB-CG 4.06Å; E856-R862 PolarHBondContact O-N 3.37Å; E856-R862 IonicContact OE2-CZ 3.12Å; E856-R862 IonicContact OE2-NE 2.72Å; E856-R862 PolarHBondContact OE2-NE 2.91Å; E856-R862 IonicContact OE2-NH2 2.68Å; E856-R862 PolarHBondContact OE2-NH2 3.34Å; L857-R862 HydrophobicContact CD2-CB 3.55Å; L857-R862 HydrophobicContact CG-CB 4.07Å; G860-R862 PolarHBondContact O-N 2.77Å; R862-K864 PolarHBondContact O-N 2.97Å
863	P	76.6	Confident	81	Confident	114 Å²	114	76.5 Å²	76.5	74%	0.74	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-69	130.9	173.9	28.2	-33.3	0	0	0	110.6
864	K	77.4	Confident	80.8	Confident	119 Å²	119	76 Å²	76	52%	0.517	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-60.9	134.7	166.1	-178.1	173.5	178.5	177.2	0	109.4	R862 Q868	R862-K864 PolarHBondContact O-N 2.97Å; K864-Q868 WeakPolarHBondContact CE-O 3.26Å
865	K	80.7	Confident	80.7	Confident	103 Å²	103	78 Å²	78	45%	0.448	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-71.2	136	176.6	-72.1	173.4	176.8	177.7	0	110.4	G867 Q868	K865-G867 PolarHBondContact O-N 3.18Å; K865-Q868 PolarHBondContact O-N 3.31Å
866	P	64	Low	80.9	Confident	132 Å²	132	79.3 Å²	79.3	86%	0.857	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	129.4	174.9	27.4	-33.7	0	0	0	110
867	G	74.8	Confident	80.9	Confident	85 Å²	85	80.2 Å²	80.2	88%	0.876	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-0.2	176.1	0	0	0	0	0	116.7	K865	K865-G867 PolarHBondContact O-N 3.18Å
868	Q	72.7	Confident	81.1	Confident	59 Å²	59	84.7 Å²	84.7	28%	0.276	45%	0.45	S	S	.	.	S	Bend	trans	-108.1	149.5	168.7	-59.6	-162.4	-88.2	0	0	110.8	K864 K865 E872	K864-Q868 WeakPolarHBondContact CE-O 3.26Å; K865-Q868 PolarHBondContact O-N 3.31Å; Q868-E872 WeakPolarHBondContact CA-OE2 3.46Å
869	S	83.1	Confident	81.5	Confident	45 Å²	45	84 Å²	84	32%	0.315	45%	0.451	S	S	.	.			trans	-65.3	165.5	168.8	113.7	0	0	0	0	110.5	Q871 E872 Q873	S869-Q871 PolarHBondContact OG-N 3.06Å; S869-E872 VanDerWaalsContact CB-CD 3.47Å; S869-E872 PolarHBondContact N-OE2 2.85Å; S869-E872 WeakPolarHBondContact OG-CG 3.45Å; S869-E872 PolarHBondContact OG-N 3.49Å; S869-E872 VanDerWaalsContact OG-N 3.08Å; S869-Q873 PolarHBondContact O-N 2.9Å
870	F	75.8	Confident	81.9	Confident	51 Å²	51	88 Å²	88	22%	0.224	46%	0.46	C	S	.	.	H	α-helix	trans	-65.7	-50.2	175.2	176.8	-86.9	0	0	0	110.3	Q854 L857 E858 Q873 V874	Q854-F870 HydrophobicContact CG-CE1 3.77Å; Q854-F870 HydrophobicContact CG-CZ 3.74Å; L857-F870 HydrophobicContact CB-CD2 4.4Å; L857-F870 HydrophobicContact CB-CE2 3.46Å; L857-F870 VanDerWaalsContact CB-CE2 3.46Å; L857-F870 HydrophobicContact CB-CZ 3.96Å; E858-F870 HydrophobicContact CB-CZ 4.48Å; E858-F870 HydrophobicContact CG-CE1 4.01Å; E858-F870 HydrophobicContact CG-CE2 3.61Å; E858-F870 HydrophobicContact CG-CZ 3.23Å; F870-Q873 PolarHBondContact O-N 3.24Å; F870-V874 HydrophobicContact CE1-CG2 3.95Å; F870-V874 HydrophobicContact CZ-CG2 4.1Å; F870-V874 PolarHBondContact O-N 3.37Å
871	Q	81.9	Confident	82.5	Confident	94 Å²	94	86.6 Å²	86.6	44%	0.439	44%	0.438	S	S	.	.	H	α-helix	trans	-62.1	-45.3	-179.3	-146.7	69.8	-3.8	0	0	112.1	S869 Q873 V874 E875	S869-Q871 PolarHBondContact OG-N 3.06Å; Q871-Q873 PolarHBondContact O-N 3.46Å; Q871-Q873 VanDerWaalsContact O-N 3.16Å; Q871-V874 CarbonylContact O-C 3.48Å; Q871-V874 WeakPolarHBondContact O-CA 3.41Å; Q871-V874 WeakPolarHBondContact O-CB 3.41Å; Q871-V874 PolarHBondContact O-N 2.97Å; Q871-E875 WeakPolarHBondContact O-CG 3.48Å; Q871-E875 PolarHBondContact O-N 2.81Å
872	E	86.4	Confident	82.8	Confident	90 Å²	90	81.7 Å²	81.7	42%	0.421	42%	0.419	S	S	.	.	H	α-helix	trans	-55.2	-36.6	177.5	-74.4	168.8	-165.5	0	0	112.5	Q868 S869 V874 H876	Q868-E872 WeakPolarHBondContact CA-OE2 3.46Å; S869-E872 VanDerWaalsContact CB-CD 3.47Å; S869-E872 PolarHBondContact N-OE2 2.85Å; S869-E872 WeakPolarHBondContact OG-CG 3.45Å; S869-E872 PolarHBondContact OG-N 3.49Å; S869-E872 VanDerWaalsContact OG-N 3.08Å; E872-V874 VanDerWaalsContact C-N 3.35Å; E872-H876 WeakPolarHBondContact O-CB 3.41Å; E872-H876 PolarHBondContact O-N 3.24Å
873	Q	84.6	Confident	83.1	Confident	16 Å²	16	83.7 Å²	83.7	8%	0.075	43%	0.433	C	S	.	.	H	α-helix	trans	-72.5	-30.8	179.7	-171.1	171.4	-31.9	0	0	111.7	F853 L857 S869 F870 Q871 Y877	F853-Q873 HydrophobicContact CE1-CG 4.31Å; F853-Q873 WeakPolarHBondContact CE1-O 3.25Å; F853-Q873 HydrophobicContact CZ-CG 4.36Å; L857-Q873 HydrophobicContact CD1-CB 4.44Å; L857-Q873 HydrophobicContact CD1-CG 4.09Å; S869-Q873 PolarHBondContact O-N 2.9Å; F870-Q873 PolarHBondContact O-N 3.24Å; Q871-Q873 PolarHBondContact O-N 3.46Å; Q871-Q873 VanDerWaalsContact O-N 3.16Å; Q873-Y877 PolarHBondContact O-N 3.44Å
874	V	87.6	Confident	83.6	Confident	5 Å²	5	86 Å²	86	3%	0.03	43%	0.427	C	S	.	.	H	α-helix	trans	-77.3	-44.9	175.3	177.3	0	0	0	0	111	V850 F853 Q854 L857 F870 Q871 E872 Y877 R878	V850-V874 HydrophobicContact CG1-CG1 3.52Å; F853-V874 HydrophobicContact CD1-CG2 4.38Å; Q854-V874 HydrophobicContact CB-CG1 4.07Å; Q854-V874 HydrophobicContact CB-CG2 3.95Å; Q854-V874 HydrophobicContact CG-CG2 4.17Å; L857-V874 HydrophobicContact CD1-CG2 3.98Å; F870-V874 HydrophobicContact CE1-CG2 3.95Å; F870-V874 HydrophobicContact CZ-CG2 4.1Å; F870-V874 PolarHBondContact O-N 3.37Å; Q871-V874 CarbonylContact O-C 3.48Å; Q871-V874 WeakPolarHBondContact O-CA 3.41Å; Q871-V874 WeakPolarHBondContact O-CB 3.41Å; Q871-V874 PolarHBondContact O-N 2.97Å; E872-V874 VanDerWaalsContact C-N 3.35Å; V874-Y877 CarbonylContact O-C 3.55Å; V874-Y877 WeakPolarHBondContact O-CA 3.29Å; V874-Y877 WeakPolarHBondContact O-CB 3.49Å; V874-Y877 PolarHBondContact O-N 3.18Å; V874-R878 PolarHBondContact O-N 2.64Å
875	E	86.9	Confident	84.2	Confident	99 Å²	99	81.6 Å²	81.6	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-47.3	177.3	-70.8	172.3	167.1	0	0	111.9	Q871 Y877 R878 D879	Q871-E875 WeakPolarHBondContact O-CG 3.48Å; Q871-E875 PolarHBondContact O-N 2.81Å; E875-Y877 PolarHBondContact O-N 3.26Å; E875-Y877 VanDerWaalsContact O-N 3.1Å; E875-R878 WeakPolarHBondContact O-CA 3.13Å; E875-R878 WeakPolarHBondContact O-CB 3.36Å; E875-R878 PolarHBondContact O-N 3.02Å; E875-D879 PolarHBondContact O-N 3.13Å
876	H	88.2	Confident	84.4	Confident	103 Å²	103	83.1 Å²	83.1	48%	0.477	42%	0.415	S	S	.	.	H	α-helix	trans	-59.1	-26	172.9	-174.2	-39.8	0	0	0	111.6	E872 K880	E872-H876 WeakPolarHBondContact O-CB 3.41Å; E872-H876 PolarHBondContact O-N 3.24Å; H876-K880 VanDerWaalsContact O-CB 3.24Å; H876-K880 WeakPolarHBondContact O-CB 3.49Å; H876-K880 PolarHBondContact O-N 3.16Å
877	Y	89.6	Confident	85.4	Confident	64 Å²	64	83.6 Å²	83.6	25%	0.251	41%	0.405	S	S	.	.	H	α-helix	trans	-78.6	-40.5	173.5	-173.9	-102.4	0	0	0	112.3	K849 V850 F853 Q873 V874 E875 K880 L881	K849-Y877 WeakPolarHBondContact O-CE1 3.49Å; V850-Y877 HydrophobicContact CG2-CD1 4.36Å; F853-Y877 HydrophobicContact CB-CD1 3.55Å; F853-Y877 HydrophobicContact CB-CE1 3.41Å; F853-Y877 VanDerWaalsContact CB-CE1 3.41Å; F853-Y877 HydrophobicContact CB-CG 4.35Å; F853-Y877 AromaticContact CD1-CD1 3.61Å; F853-Y877 HydrophobicContact CD1-CD1 3.61Å; F853-Y877 HydrophobicContact CD1-CD2 4.36Å; F853-Y877 HydrophobicContact CD1-CE1 4.26Å; F853-Y877 AromaticContact CD1-CG 3.65Å; F853-Y877 HydrophobicContact CD1-CG 3.65Å; F853-Y877 AromaticContact CD2-CD1 3.93Å; F853-Y877 HydrophobicContact CD2-CD1 3.93Å; F853-Y877 AromaticContact CD2-CD2 3.89Å; F853-Y877 HydrophobicContact CD2-CD2 3.89Å; F853-Y877 AromaticContact CD2-CE1 3.86Å; F853-Y877 HydrophobicContact CD2-CE1 3.86Å; F853-Y877 AromaticContact CD2-CE2 3.82Å; F853-Y877 HydrophobicContact CD2-CE2 3.82Å; F853-Y877 AromaticContact CD2-CG 3.93Å; F853-Y877 HydrophobicContact CD2-CG 3.93Å; F853-Y877 AromaticContact CD2-CZ 3.79Å; F853-Y877 HydrophobicContact CE1-CD1 4.23Å; F853-Y877 HydrophobicContact CE1-CD2 4.26Å; F853-Y877 AromaticContact CE1-CG 3.78Å; F853-Y877 HydrophobicContact CE1-CG 3.78Å; F853-Y877 AromaticContact CE2-CD2 3.78Å; F853-Y877 HydrophobicContact CE2-CD2 3.78Å; F853-Y877 AromaticContact CE2-CE2 3.99Å; F853-Y877 HydrophobicContact CE2-CE2 3.99Å; F853-Y877 HydrophobicContact CE2-CG 4.06Å; F853-Y877 AromaticContact CG-CD1 3.43Å; F853-Y877 HydrophobicContact CG-CD1 3.43Å; F853-Y877 VanDerWaalsContact CG-CD1 3.43Å; F853-Y877 HydrophobicContact CG-CD2 4.17Å; F853-Y877 AromaticContact CG-CE1 3.6Å; F853-Y877 HydrophobicContact CG-CE1 3.6Å; F853-Y877 HydrophobicContact CG-CE2 4.33Å; F853-Y877 AromaticContact CG-CG 3.72Å; F853-Y877 HydrophobicContact CG-CG 3.72Å; F853-Y877 AromaticContact CZ-CD2 3.98Å; F853-Y877 HydrophobicContact CZ-CD2 3.98Å; F853-Y877 AromaticContact CZ-CG 3.98Å; F853-Y877 HydrophobicContact CZ-CG 3.98Å; Q873-Y877 PolarHBondContact O-N 3.44Å; V874-Y877 CarbonylContact O-C 3.55Å; V874-Y877 WeakPolarHBondContact O-CA 3.29Å; V874-Y877 WeakPolarHBondContact O-CB 3.49Å; V874-Y877 PolarHBondContact O-N 3.18Å; E875-Y877 PolarHBondContact O-N 3.26Å; E875-Y877 VanDerWaalsContact O-N 3.1Å; Y877-K880 PolarHBondContact O-N 3.07Å; Y877-L881 HydrophobicContact CD1-CD1 4.01Å; Y877-L881 HydrophobicContact CE1-CD1 3.57Å; Y877-L881 HydrophobicContact CE1-CG 4.33Å; Y877-L881 WeakPolarHBondContact O-CG 3.49Å; Y877-L881 PolarHBondContact O-N 3.27Å; Y877-L881 VanDerWaalsContact O-N 3.11Å
878	R	91.6	Very high	85.7	Confident	108 Å²	108	83.3 Å²	83.3	41%	0.408	38%	0.38	S	S	.	.	H	α-helix	trans	-56.1	-54.8	171.9	-173.7	172.4	-162.7	-174.2	3.8	111.7	E847 V850 V874 E875 K880 L881 L882	E847-R878 VanDerWaalsContact CD-NE 3.31Å; E847-R878 IonicContact OE1-CZ 3.28Å; E847-R878 VanDerWaalsContact OE1-CZ 3.29Å; E847-R878 IonicContact OE1-NE 2.89Å; E847-R878 PolarHBondContact OE1-NE 2.9Å; E847-R878 IonicContact OE1-NH2 3.18Å; E847-R878 PolarHBondContact OE1-NH2 3.02Å; E847-R878 IonicContact OE2-CZ 3.95Å; E847-R878 VanDerWaalsContact OE2-CZ 3.28Å; E847-R878 IonicContact OE2-NE 2.78Å; E847-R878 PolarHBondContact OE2-NE 2.58Å; E847-R878 IonicContact OE2-NH2 3.29Å; E847-R878 PolarHBondContact OE2-NH2 3.17Å; V850-R878 HydrophobicContact CB-CB 4.49Å; V850-R878 HydrophobicContact CG1-CB 4.02Å; V850-R878 HydrophobicContact CG1-CG 4.41Å; V850-R878 VanDerWaalsContact CG2-CA 3.5Å; V850-R878 HydrophobicContact CG2-CB 3.59Å; V850-R878 HydrophobicContact CG2-CG 3.86Å; V874-R878 PolarHBondContact O-N 2.64Å; E875-R878 WeakPolarHBondContact O-CA 3.13Å; E875-R878 WeakPolarHBondContact O-CB 3.36Å; E875-R878 PolarHBondContact O-N 3.02Å; R878-K880 VanDerWaalsContact C-N 3.29Å; R878-K880 PolarHBondContact O-N 2.92Å; R878-L881 WeakPolarHBondContact O-CB 3.34Å; R878-L881 PolarHBondContact O-N 2.83Å; R878-L882 HydrophobicContact CG-CD1 4.13Å; R878-L882 WeakPolarHBondContact O-CG 3.36Å; R878-L882 PolarHBondContact O-N 3.03Å
879	D	89.6	Confident	86.2	Confident	105 Å²	105	83.6 Å²	83.6	56%	0.561	38%	0.381	S	S	*	.	H	α-helix	trans	-57.5	-42.1	177.5	-77.9	-12.4	0	0	0	112.2	E875 L881 L882 Q883	E875-D879 PolarHBondContact O-N 3.13Å; D879-L881 VanDerWaalsContact C-N 3.25Å; D879-L881 PolarHBondContact O-N 3.03Å; D879-L882 PolarHBondContact O-N 3.16Å; D879-Q883 WeakPolarHBondContact O-CB 3.2Å; D879-Q883 PolarHBondContact O-N 2.92Å
880	K	92.4	Very high	86	Confident	144 Å²	144	85.2 Å²	85.2	63%	0.626	39%	0.386	S	S	*	.	H	α-helix	trans	-67.2	-25.1	179.5	-171.2	167.2	-174.9	171.1	0	113.1	H876 Y877 R878 R884	H876-K880 VanDerWaalsContact O-CB 3.24Å; H876-K880 WeakPolarHBondContact O-CB 3.49Å; H876-K880 PolarHBondContact O-N 3.16Å; Y877-K880 PolarHBondContact O-N 3.07Å; R878-K880 VanDerWaalsContact C-N 3.29Å; R878-K880 PolarHBondContact O-N 2.92Å; K880-R884 WeakPolarHBondContact O-CB 3.38Å
881	L	89.5	Confident	86.2	Confident	31 Å²	31	88.8 Å²	88.8	16%	0.162	40%	0.403	C	S	.	.	H	α-helix	trans	-80.5	-44.8	171.6	-70.1	176	0	0	0	111.7	I846 K849 V850 Y877 R878 D879 R884 E885	I846-L881 HydrophobicContact CB-CB 4.5Å; I846-L881 HydrophobicContact CG1-CB 4.2Å; I846-L881 HydrophobicContact CG2-CB 3.67Å; I846-L881 HydrophobicContact CG2-CD1 4.2Å; K849-L881 HydrophobicContact CB-CD1 3.74Å; K849-L881 HydrophobicContact CD-CD1 4.4Å; V850-L881 HydrophobicContact CG2-CD1 4.11Å; Y877-L881 HydrophobicContact CD1-CD1 4.01Å; Y877-L881 HydrophobicContact CE1-CD1 3.57Å; Y877-L881 HydrophobicContact CE1-CG 4.33Å; Y877-L881 WeakPolarHBondContact O-CG 3.49Å; Y877-L881 PolarHBondContact O-N 3.27Å; Y877-L881 VanDerWaalsContact O-N 3.11Å; R878-L881 WeakPolarHBondContact O-CB 3.34Å; R878-L881 PolarHBondContact O-N 2.83Å; D879-L881 VanDerWaalsContact C-N 3.25Å; D879-L881 PolarHBondContact O-N 3.03Å; L881-R884 PolarHBondContact O-N 3.31Å; L881-E885 PolarHBondContact O-N 3.13Å
882	L	87.3	Confident	86	Confident	55 Å²	55	88.4 Å²	88.4	29%	0.288	40%	0.398	S	S	.	.	H	α-helix	trans	-59	-48.5	176.6	-68.8	170.9	0	0	0	111.9	L843 I846 R878 D879 R884 E885 K886	L843-L882 HydrophobicContact CD2-CD2 3.5Å; L843-L882 VanDerWaalsContact CD2-CD2 3.5Å; I846-L882 HydrophobicContact CD1-CD2 4Å; I846-L882 HydrophobicContact CG2-CD2 4.08Å; I846-L882 HydrophobicContact CG2-CG 4.2Å; R878-L882 HydrophobicContact CG-CD1 4.13Å; R878-L882 WeakPolarHBondContact O-CG 3.36Å; R878-L882 PolarHBondContact O-N 3.03Å; D879-L882 PolarHBondContact O-N 3.16Å; L882-R884 PolarHBondContact O-N 3.02Å; L882-E885 PolarHBondContact O-N 2.76Å; L882-K886 WeakPolarHBondContact O-CB 3.49Å; L882-K886 PolarHBondContact O-N 3.1Å
883	Q	85.4	Confident	85.6	Confident	135 Å²	135	87.1 Å²	87.1	63%	0.631	39%	0.392	S	S	*	.	H	α-helix	trans	-55.6	-40.3	176.1	-167.9	78.7	-22.9	0	0	111.6	D879 E887	D879-Q883 WeakPolarHBondContact O-CB 3.2Å; D879-Q883 PolarHBondContact O-N 2.92Å; Q883-E887 PolarHBondContact O-N 2.9Å
884	R	86.7	Confident	85.4	Confident	164 Å²	164	94.8 Å²	94.8	62%	0.619	42%	0.42	S	S	*	.	H	α-helix	trans	-75.1	-33.1	-177.4	-168	176.8	-172.5	-173	2.5	113.3	K880 L881 L882 K888	K880-R884 WeakPolarHBondContact O-CB 3.38Å; L881-R884 PolarHBondContact O-N 3.31Å; L882-R884 PolarHBondContact O-N 3.02Å; R884-K888 WeakPolarHBondContact O-CG 3.45Å; R884-K888 PolarHBondContact O-N 3.47Å
885	E	89.1	Confident	84.7	Confident	25 Å²	25	101 Å²	101	12%	0.117	45%	0.449	C	S	.	.	H	α-helix	trans	-78.6	-31.6	174.6	-163	59	-144.4	0	0	111.8	K842 I846 L881 L882 E887 K888 E889 R892	K842-E885 HydrophobicContact CB-CG 4.29Å; K842-E885 HydrophobicContact CD-CG 4.12Å; K842-E885 IonicContact NZ-OE1 2.71Å; I846-E885 HydrophobicContact CD1-CB 3.88Å; I846-E885 HydrophobicContact CD1-CG 4.49Å; L881-E885 PolarHBondContact O-N 3.13Å; L882-E885 PolarHBondContact O-N 2.76Å; E885-E887 VanDerWaalsContact C-N 3.35Å; E885-K888 PolarHBondContact O-N 2.89Å; E885-K888 WeakPolarHBondContact OE2-CD 3.32Å; E885-K888 WeakPolarHBondContact OE2-CE 3.43Å; E885-K888 IonicContact OE2-NZ 2.93Å; E885-K888 PolarHBondContact OE2-NZ 3.39Å; E885-E889 WeakPolarHBondContact O-CB 3.23Å; E885-E889 PolarHBondContact O-N 3.23Å; E885-R892 IonicContact OE1-CZ 3.42Å; E885-R892 IonicContact OE1-NH1 2.63Å; E885-R892 PolarHBondContact OE1-NH1 2.86Å; E885-R892 IonicContact OE1-NH2 2.68Å; E885-R892 PolarHBondContact OE1-NH2 2.81Å
886	K	85.1	Confident	84.3	Confident	136 Å²	136	102.7 Å²	102.7	59%	0.591	45%	0.451	S	S	*	.	H	α-helix	trans	-60.9	-41	169.7	-173.3	176.1	-177.6	176.4	0	112.1	L882 E889 L890	L882-K886 WeakPolarHBondContact O-CB 3.49Å; L882-K886 PolarHBondContact O-N 3.1Å; K886-E889 PolarHBondContact O-N 3.5Å; K886-L890 PolarHBondContact O-N 2.73Å
887	E	84.8	Confident	83.7	Confident	142 Å²	142	103.1 Å²	103.1	66%	0.664	46%	0.457	S	S	*	.	H	α-helix	trans	-61.6	-47.7	173.4	-174.1	172.6	-144.4	0	0	111.9	Q883 E885 E889 L890 E891	Q883-E887 PolarHBondContact O-N 2.9Å; E885-E887 VanDerWaalsContact C-N 3.35Å; E887-E889 PolarHBondContact O-N 2.89Å; E887-L890 PolarHBondContact O-N 3.25Å; E887-E891 PolarHBondContact O-N 2.85Å
888	K	82.4	Confident	83.4	Confident	79 Å²	79	106.5 Å²	106.5	34%	0.343	47%	0.473	S	S	.	.	H	α-helix	trans	-64.3	-34.1	175	-66.7	-178.4	-144.8	157.9	0	113.6	R884 E885 L890 E891 R892	R884-K888 WeakPolarHBondContact O-CG 3.45Å; R884-K888 PolarHBondContact O-N 3.47Å; E885-K888 PolarHBondContact O-N 2.89Å; E885-K888 WeakPolarHBondContact OE2-CD 3.32Å; E885-K888 WeakPolarHBondContact OE2-CE 3.43Å; E885-K888 IonicContact OE2-NZ 2.93Å; E885-K888 PolarHBondContact OE2-NZ 3.39Å; K888-L890 VanDerWaalsContact C-N 3.34Å; K888-E891 PolarHBondContact O-N 3.39Å; K888-R892 WeakPolarHBondContact O-CB 3.13Å; K888-R892 VanDerWaalsContact O-CG 3.24Å; K888-R892 WeakPolarHBondContact O-CG 3.38Å; K888-R892 PolarHBondContact O-N 3.05Å
889	E	82.9	Confident	82.5	Confident	64 Å²	64	108.5 Å²	108.5	30%	0.299	48%	0.484	S	S	.	.	H	α-helix	trans	-62.3	-45.2	176.1	-174.9	177.3	-150.1	0	0	110.7	K839 E885 K886 E887 E891 R892 E893	K839-E889 WeakPolarHBondContact CD-OE1 3.47Å; K839-E889 WeakPolarHBondContact CE-OE1 3.47Å; K839-E889 WeakPolarHBondContact CE-OE2 3.29Å; K839-E889 IonicContact NZ-OE1 3.67Å; K839-E889 PolarHBondContact NZ-OE1 3.13Å; K839-E889 IonicContact NZ-OE2 2.72Å; K839-E889 PolarHBondContact NZ-OE2 3.18Å; E885-E889 WeakPolarHBondContact O-CB 3.23Å; E885-E889 PolarHBondContact O-N 3.23Å; K886-E889 PolarHBondContact O-N 3.5Å; E887-E889 PolarHBondContact O-N 2.89Å; E889-E891 VanDerWaalsContact C-N 3.35Å; E889-R892 PolarHBondContact O-N 2.73Å; E889-E893 PolarHBondContact O-N 2.87Å
890	L	77.9	Confident	81.7	Confident	80 Å²	80	107.5 Å²	107.5	42%	0.419	48%	0.479	S	S	.	.	H	α-helix	trans	-66.8	-35.2	177.4	-149.1	164.3	0	0	0	111.6	K886 E887 K888 E893 R894	K886-L890 PolarHBondContact O-N 2.73Å; E887-L890 PolarHBondContact O-N 3.25Å; K888-L890 VanDerWaalsContact C-N 3.34Å; L890-E893 PolarHBondContact O-N 3.28Å; L890-R894 VanDerWaalsContact CD2-CZ 3.46Å; L890-R894 VanDerWaalsContact CD2-NE 3.28Å; L890-R894 WeakPolarHBondContact O-CG 3.25Å; L890-R894 PolarHBondContact O-N 3.46Å; L890-R894 HydrophobicContact CD2-CG 4.33Å
891	E	80.1	Confident	80.9	Confident	126 Å²	126	106.8 Å²	106.8	59%	0.589	48%	0.476	S	S	*	.	H	α-helix	trans	-64.9	-47.8	171.1	-171.3	169	-130.3	0	0	112.2	E887 K888 E889 E893 R894 E895	E887-E891 PolarHBondContact O-N 2.85Å; K888-E891 PolarHBondContact O-N 3.39Å; E889-E891 VanDerWaalsContact C-N 3.35Å; E891-E893 VanDerWaalsContact C-N 3.26Å; E891-E893 PolarHBondContact O-N 3.09Å; E891-R894 PolarHBondContact O-N 3.36Å; E891-E895 PolarHBondContact O-N 3.48Å
892	R	77.8	Confident	80	Confident	85 Å²	85	110.4 Å²	110.4	32%	0.321	49%	0.492	S	S	.	.	H	α-helix	trans	-63.5	-28.6	174.9	-68.1	173.7	-163.3	120.9	-10.7	113	E885 K888 E889 R896	E885-R892 IonicContact OE1-CZ 3.42Å; E885-R892 IonicContact OE1-NH1 2.63Å; E885-R892 PolarHBondContact OE1-NH1 2.86Å; E885-R892 IonicContact OE1-NH2 2.68Å; E885-R892 PolarHBondContact OE1-NH2 2.81Å; K888-R892 WeakPolarHBondContact O-CB 3.13Å; K888-R892 VanDerWaalsContact O-CG 3.24Å; K888-R892 WeakPolarHBondContact O-CG 3.38Å; K888-R892 PolarHBondContact O-N 3.05Å; E889-R892 PolarHBondContact O-N 2.73Å; R892-R896 WeakPolarHBondContact O-CG 3.26Å; R892-R896 PolarHBondContact O-NE 3Å; R892-R896 VanDerWaalsContact O-N 3.16Å; R892-R896 PolarHBondContact O-N 3.27Å
893	E	77.3	Confident	79.1	Confident	63 Å²	63	113.6 Å²	113.6	29%	0.294	50%	0.504	S	S	.	.	H	α-helix	trans	-70	-47.9	172.5	-164.2	162.9	-127.2	0	0	111	Y832 E889 L890 E891 E895 R896 D897	Y832-E893 PolarHBondContact OH-OE1 3.13Å; E889-E893 PolarHBondContact O-N 2.87Å; L890-E893 PolarHBondContact O-N 3.28Å; E891-E893 VanDerWaalsContact C-N 3.26Å; E891-E893 PolarHBondContact O-N 3.09Å; E893-E895 VanDerWaalsContact C-N 3.3Å; E893-E895 PolarHBondContact O-N 3.49Å; E893-R896 WeakPolarHBondContact O-CB 3.21Å; E893-R896 PolarHBondContact O-N 2.84Å; E893-D897 PolarHBondContact O-N 2.71Å
894	R	81.3	Confident	78.2	Confident	177 Å²	177	112.8 Å²	112.8	67%	0.668	50%	0.503	S	S	*	.	H	α-helix	trans	-58.4	-37.3	173.1	-70.8	169	176.7	174.5	2.3	113.2	L890 E891 K898	L890-R894 VanDerWaalsContact CD2-CZ 3.46Å; L890-R894 VanDerWaalsContact CD2-NE 3.28Å; L890-R894 WeakPolarHBondContact O-CG 3.25Å; L890-R894 PolarHBondContact O-N 3.46Å; L890-R894 HydrophobicContact CD2-CG 4.33Å; E891-R894 PolarHBondContact O-N 3.36Å; R894-K898 PolarHBondContact O-N 3.38Å; R894-K898 WeakPolarHBondContact O-CB 3.5Å; R894-K898 VanDerWaalsContact O-CB 3.3Å
895	E	73.7	Confident	76.9	Confident	135 Å²	135	110.4 Å²	110.4	63%	0.631	50%	0.499	S	S	*	.	H	α-helix	trans	-67.1	-39.3	173.6	-73.6	-150.5	127.8	0	0	112.8	E891 E893 K898 K899	E891-E895 PolarHBondContact O-N 3.48Å; E893-E895 VanDerWaalsContact C-N 3.3Å; E893-E895 PolarHBondContact O-N 3.49Å; E895-K898 PolarHBondContact O-N 3.22Å; E895-K899 VanDerWaalsContact O-CB 3.23Å; E895-K899 WeakPolarHBondContact O-CB 3.35Å; E895-K899 PolarHBondContact O-N 3.11Å
896	R	77.1	Confident	75.3	Confident	135 Å²	135	111.8 Å²	111.8	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-47.2	175.6	-76.9	176.6	-69.9	178.7	7.3	111.3	R892 E893 K898 K899 D900	R892-R896 WeakPolarHBondContact O-CG 3.26Å; R892-R896 PolarHBondContact O-NE 3Å; R892-R896 VanDerWaalsContact O-N 3.16Å; R892-R896 PolarHBondContact O-N 3.27Å; E893-R896 WeakPolarHBondContact O-CB 3.21Å; E893-R896 PolarHBondContact O-N 2.84Å; R896-K898 VanDerWaalsContact C-N 3.35Å; R896-K898 PolarHBondContact O-N 3.26Å; R896-K899 PolarHBondContact O-N 3.05Å; R896-D900 PolarHBondContact O-N 3.37Å
897	D	76.9	Confident	73.6	Confident	113 Å²	113	113.9 Å²	113.9	60%	0.604	52%	0.516	S	S	*	.	H	α-helix	trans	-59.2	-44.2	175.7	-78.4	-13.9	0	0	0	112.1	E893 K901	E893-D897 PolarHBondContact O-N 2.71Å; D897-K901 PolarHBondContact O-N 2.88Å; D897-K901 WeakPolarHBondContact O-CB 3.21Å; D897-K901 VanDerWaalsContact O-CB 3.29Å
898	K	81.7	Confident	72	Confident	134 Å²	134	110.6 Å²	110.6	58%	0.583	51%	0.508	S	S	*	.	H	α-helix	trans	-61.2	-45.1	175.6	-175.5	-177.3	174	-168.6	0	111.4	R894 E895 R896 K901 E902	R894-K898 PolarHBondContact O-N 3.38Å; R894-K898 WeakPolarHBondContact O-CB 3.5Å; R894-K898 VanDerWaalsContact O-CB 3.3Å; E895-K898 PolarHBondContact O-N 3.22Å; R896-K898 VanDerWaalsContact C-N 3.35Å; R896-K898 PolarHBondContact O-N 3.26Å; K898-K901 WeakPolarHBondContact O-CB 3.43Å; K898-K901 PolarHBondContact O-N 3.37Å; K898-E902 WeakPolarHBondContact CE-OE1 3.44Å; K898-E902 WeakPolarHBondContact O-CG 3.41Å; K898-E902 PolarHBondContact O-N 2.74Å
899	K	73.2	Confident	70.3	Confident	150 Å²	150	113.8 Å²	113.8	65%	0.652	52%	0.522	S	S	*	.	H	α-helix	trans	-65.4	-42.1	-179.5	-170.7	173.8	-173.1	173	0	112.4	E895 R896 E902 K903	E895-K899 VanDerWaalsContact O-CB 3.23Å; E895-K899 WeakPolarHBondContact O-CB 3.35Å; E895-K899 PolarHBondContact O-N 3.11Å; R896-K899 PolarHBondContact O-N 3.05Å; K899-E902 PolarHBondContact O-N 3.1Å; K899-K903 WeakPolarHBondContact O-CB 3.4Å; K899-K903 PolarHBondContact O-N 2.91Å
900	D	72.9	Confident	68.5	Low	84 Å²	84	116.1 Å²	116.1	45%	0.449	54%	0.536	S	S	.	.	H	α-helix	trans	-74.7	-26.9	175.9	-83.9	-27.3	0	0	0	112.5	R896 K903 L904	R896-D900 PolarHBondContact O-N 3.37Å; D900-K903 IonicContact OD1-NZ 2.76Å; D900-K903 PolarHBondContact OD1-NZ 3.11Å; D900-K903 PolarHBondContact O-N 2.84Å; D900-K903 WeakPolarHBondContact OD1-CD 3.35Å; D900-K903 WeakPolarHBondContact O-CB 3.49Å; D900-L904 WeakPolarHBondContact O-CG 3.47Å; D900-L904 PolarHBondContact O-N 3.15Å
901	K	75.7	Confident	66.9	Low	130 Å²	130	120.2 Å²	120.2	57%	0.565	55%	0.551	S	S	*	*	H	α-helix	trans	-64.3	-47.5	167.3	-172.5	177.6	178.4	-177.7	0	112	D897 K898 K903 L904 E905	D897-K901 PolarHBondContact O-N 2.88Å; D897-K901 WeakPolarHBondContact O-CB 3.21Å; D897-K901 VanDerWaalsContact O-CB 3.29Å; K898-K901 WeakPolarHBondContact O-CB 3.43Å; K898-K901 PolarHBondContact O-N 3.37Å; K901-K903 PolarHBondContact O-N 2.89Å; K901-L904 PolarHBondContact O-N 3.17Å; K901-E905 WeakPolarHBondContact CE-OE1 3.36Å; K901-E905 PolarHBondContact O-N 3.11Å
902	E	71	Confident	65.1	Low	106 Å²	106	122.5 Å²	122.5	50%	0.495	56%	0.559	S	S	.	*	H	α-helix	trans	-60.4	-33	173.5	-72.2	172.1	-168.5	0	0	112	K898 K899 S906	K898-E902 WeakPolarHBondContact CE-OE1 3.44Å; K898-E902 WeakPolarHBondContact O-CG 3.41Å; K898-E902 PolarHBondContact O-N 2.74Å; K899-E902 PolarHBondContact O-N 3.1Å; E902-S906 WeakPolarHBondContact O-CB 3.44Å; E902-S906 PolarHBondContact O-N 2.81Å; E902-S906 PolarHBondContact O-OG 3.15Å
903	K	68.9	Low	63.4	Low	122 Å²	122	125.9 Å²	125.9	53%	0.53	58%	0.579	S	S	.	*	H	α-helix	trans	-73.2	-22.3	175	-158.5	179.6	-174.6	179.1	0	113.9	K899 D900 K901 S906 R907	K899-K903 WeakPolarHBondContact O-CB 3.4Å; K899-K903 PolarHBondContact O-N 2.91Å; D900-K903 IonicContact OD1-NZ 2.76Å; D900-K903 PolarHBondContact OD1-NZ 3.11Å; D900-K903 PolarHBondContact O-N 2.84Å; D900-K903 WeakPolarHBondContact OD1-CD 3.35Å; D900-K903 WeakPolarHBondContact O-CB 3.49Å; K901-K903 PolarHBondContact O-N 2.89Å; K903-S906 WeakPolarHBondContact CA-OG 3.3Å; K903-S906 PolarHBondContact O-OG 2.72Å; K903-S906 VanDerWaalsContact CA-OG 3.28Å; K903-R907 WeakPolarHBondContact O-CB 3.26Å; K903-R907 WeakPolarHBondContact O-CG 2.85Å
904	L	65.6	Low	61.6	Low	119 Å²	119	131.6 Å²	131.6	62%	0.623	60%	0.602	S	S	*	*	H	α-helix	trans	-86.3	-37	171.4	-74.4	164.8	0	0	0	111.8	D900 K901 S908	D900-L904 WeakPolarHBondContact O-CG 3.47Å; D900-L904 PolarHBondContact O-N 3.15Å; K901-L904 PolarHBondContact O-N 3.17Å; L904-S908 PolarHBondContact O-N 3.32Å; L904-S908 PolarHBondContact O-OG 2.94Å
905	E	58.7	Low	59.5	Low	113 Å²	113	130.2 Å²	130.2	53%	0.528	61%	0.608	S	S	.	*	H	α-helix	trans	-68.1	-40.6	174.5	-72.6	-176	-166.4	0	0	112	K901 S908 K909	K901-E905 WeakPolarHBondContact CE-OE1 3.36Å; K901-E905 PolarHBondContact O-N 3.11Å; E905-S908 WeakPolarHBondContact CA-OG 3.45Å; E905-S908 PolarHBondContact O-N 3.26Å; E905-S908 PolarHBondContact O-OG 3.42Å; E905-S908 VanDerWaalsContact O-OG 3.05Å; E905-K909 PolarHBondContact O-N 3.27Å
906	S	55.7	Low	58	Low	54 Å²	54	132.6 Å²	132.6	38%	0.378	62%	0.619	S	S	.	*	H	α-helix	trans	-61.4	-49.3	171.4	45.7	0	0	0	0	112.4	E902 K903 S908 K909 D910	E902-S906 WeakPolarHBondContact O-CB 3.44Å; E902-S906 PolarHBondContact O-N 2.81Å; E902-S906 PolarHBondContact O-OG 3.15Å; K903-S906 WeakPolarHBondContact CA-OG 3.3Å; K903-S906 PolarHBondContact O-OG 2.72Å; K903-S906 VanDerWaalsContact CA-OG 3.28Å; S906-S908 PolarHBondContact O-N 2.64Å; S906-K909 VanDerWaalsContact O-CB 3.28Å; S906-K909 WeakPolarHBondContact O-CB 3.39Å; S906-K909 PolarHBondContact O-N 2.98Å; S906-K909 WeakPolarHBondContact O-CA 3.4Å; S906-D910 PolarHBondContact O-N 2.78Å
907	R	50.4	Low	55.8	Low	181 Å²	181	131.5 Å²	131.5	68%	0.683	63%	0.631	S	S	*	*	H	α-helix	trans	-60.9	-24.5	176	-83.6	179.5	157.6	-172.6	-4.8	114.7	K903	K903-R907 WeakPolarHBondContact O-CB 3.26Å; K903-R907 WeakPolarHBondContact O-CG 2.85Å
908	S	50.2	Low	53.8	Low	73 Å²	73	132.9 Å²	132.9	51%	0.51	64%	0.644	S	S	.	*	H	α-helix	trans	-88.2	-21.1	173.7	47.4	0	0	0	0	113.1	L904 E905 S906	L904-S908 PolarHBondContact O-N 3.32Å; L904-S908 PolarHBondContact O-OG 2.94Å; E905-S908 WeakPolarHBondContact CA-OG 3.45Å; E905-S908 PolarHBondContact O-N 3.26Å; E905-S908 PolarHBondContact O-OG 3.42Å; E905-S908 VanDerWaalsContact O-OG 3.05Å; S906-S908 PolarHBondContact O-N 2.64Å
909	K	47.7	Very low	51.8	Low	146 Å²	146	131.1 Å²	131.1	64%	0.635	65%	0.646	S	S	*	*	H	α-helix	trans	-67.9	-52	164.6	-114.5	178.7	177.4	179.6	0	112.2	E905 S906 K911 K912 E913	E905-K909 PolarHBondContact O-N 3.27Å; S906-K909 VanDerWaalsContact O-CB 3.28Å; S906-K909 WeakPolarHBondContact O-CB 3.39Å; S906-K909 PolarHBondContact O-N 2.98Å; S906-K909 WeakPolarHBondContact O-CA 3.4Å; K909-K911 PolarHBondContact O-N 3.33Å; K909-K911 VanDerWaalsContact O-N 3.1Å; K909-K912 WeakPolarHBondContact O-CA 3.29Å; K909-K912 WeakPolarHBondContact O-CB 3.23Å; K909-K912 PolarHBondContact O-N 3.14Å; K909-E913 PolarHBondContact O-N 3.42Å
910	D	45.5	Very low	49.8	Very low	112 Å²	112	130.5 Å²	130.5	60%	0.599	66%	0.655	S	S	*	*	H	α-helix	trans	-53.5	-34.7	177.4	-75.8	-42.2	0	0	0	112.6	S906 K912	S906-D910 PolarHBondContact O-N 2.78Å; D910-K912 VanDerWaalsContact C-N 3.32Å
911	K	43.9	Very low	47.8	Very low	167 Å²	167	135.5 Å²	135.5	73%	0.726	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-14.2	179.9	-153.4	176	-176.6	-175.8	0	113.5	K909	K909-K911 PolarHBondContact O-N 3.33Å; K909-K911 VanDerWaalsContact O-N 3.1Å
912	K	41.1	Very low	45.7	Very low	173 Å²	173	139 Å²	139	75%	0.752	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-26	-179.2	-159.4	174.2	-175.5	-178.7	0	112.9	K909 D910 K914	K909-K912 WeakPolarHBondContact O-CA 3.29Å; K909-K912 WeakPolarHBondContact O-CB 3.23Å; K909-K912 PolarHBondContact O-N 3.14Å; D910-K912 VanDerWaalsContact C-N 3.32Å; K912-K914 PolarHBondContact O-N 3Å
913	E	42.9	Very low	43.8	Very low	157 Å²	157	138.4 Å²	138.4	73%	0.734	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-3.3	174.9	-66.2	-173.7	179.8	0	0	113.7	K909	K909-E913 PolarHBondContact O-N 3.42Å
914	K	39	Very low	42	Very low	182 Å²	182	144 Å²	144	79%	0.791	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-0.3	-174.7	-148.5	166.3	-173.1	169.2	0	115.9	K912	K912-K914 PolarHBondContact O-N 3Å
915	D	37.8	Very low	40.3	Very low	148 Å²	148	145 Å²	145	79%	0.791	70%	0.697	S	S	*	*	S	Bend	trans	-103.6	-3.9	179.6	-80.9	-27.5	0	0	0	114.3
916	E	42.5	Very low	39	Very low	186 Å²	186	149.7 Å²	149.7	87%	0.869	71%	0.71	S	S	*	*			trans	-111.3	91.4	172	-74.2	-140.2	131.7	0	0	113.1
917	C	29.8	Very low	37.7	Very low	111 Å²	111	156.5 Å²	156.5	75%	0.75	73%	0.727	S	S	*	*				-177.6	100.7	128.3	-172.9	0	0	0	0	112.1
918	T	36.2	Very low	36.8	Very low	143 Å²	143	156.2 Å²	156.2	88%	0.877	73%	0.734	S	S	*	*			trans	-156.6	109.2	153.8	-49.6	0	0	0	0	111
919	P	39.8	Very low	35.8	Very low	97 Å²	97	157.3 Å²	157.3	63%	0.63	74%	0.741	S	S	*	*			trans	-94.4	114.5	-177.6	33.2	-31.9	0	0	0	114.1
920	T	31	Very low	34.9	Very low	137 Å²	137	157 Å²	157	84%	0.84	75%	0.752	S	S	*	*			trans	64.5	164.3	146.6	70.1	0	0	0	0	119.9
921	R	31.2	Very low	34.2	Very low	189 Å²	189	157 Å²	157	71%	0.713	76%	0.761	S	S	*	*			cis	178.3	127.3	-38.3	169.6	-177.7	166.3	-173.1	-2.7	107.8	E923	R921-E923 IonicContact CZ-OE2 2.68Å; R921-E923 VanDerWaalsContact CZ-OE2 3.24Å; R921-E923 IonicContact NE-OE2 2.72Å; R921-E923 PolarHBondContact NE-OE2 3.05Å; R921-E923 IonicContact NH2-OE2 3.59Å; R921-E923 PolarHBondContact NH2-OE2 3.46Å
922	K	30.5	Very low	34	Very low	203 Å²	203	154.9 Å²	154.9	88%	0.883	76%	0.764	S	S	*	*			trans	173.5	103.5	148.7	-98.8	153.7	-175.3	175.3	0	107.8
923	E	30.3	Very low	33.4	Very low	93 Å²	93	151.7 Å²	151.7	44%	0.435	76%	0.763	S	S	.	*			cis	84.2	97.4	41.9	-162.4	-163.1	148.2	0	0	115.4	R921 K925	R921-E923 IonicContact CZ-OE2 2.68Å; R921-E923 VanDerWaalsContact CZ-OE2 3.24Å; R921-E923 IonicContact NE-OE2 2.72Å; R921-E923 PolarHBondContact NE-OE2 3.05Å; R921-E923 IonicContact NH2-OE2 3.59Å; R921-E923 PolarHBondContact NH2-OE2 3.46Å; E923-K925 VanDerWaalsContact OE1-CE 3.3Å; E923-K925 WeakPolarHBondContact OE1-CE 3.33Å; E923-K925 IonicContact OE1-NZ 3.01Å; E923-K925 PolarHBondContact OE1-NZ 3.45Å
924	R	31.4	Very low	33.6	Very low	239 Å²	239	149.3 Å²	149.3	90%	0.902	76%	0.762	S	S	*	*			trans	-159.7	116.2	140.9	-100	161.6	-179.2	-170.1	-2	105.9
925	K	30.8	Very low	33.2	Very low	142 Å²	142	145.8 Å²	145.8	62%	0.617	76%	0.76	S	S	*	*				60.1	125.6	72.3	-71.4	170.3	167.3	148.3	0	111.3	E923	E923-K925 VanDerWaalsContact OE1-CE 3.3Å; E923-K925 WeakPolarHBondContact OE1-CE 3.33Å; E923-K925 IonicContact OE1-NZ 3.01Å; E923-K925 PolarHBondContact OE1-NZ 3.45Å
926	R	30.6	Very low	32.9	Very low	210 Å²	210	149.3 Å²	149.3	79%	0.792	76%	0.762	S	S	*	*			cis	-155.6	132.7	3.9	-100.1	163.7	177.5	170.6	-4.6	107.6
927	R	29.7	Very low	32.4	Very low	197 Å²	197	145.7 Å²	145.7	74%	0.743	76%	0.757	S	S	*	*				70.3	137.4	95.6	-84	-173.4	173.8	-111.3	4.8	118
928	H	30.3	Very low	32.4	Very low	176 Å²	176	145.8 Å²	145.8	82%	0.815	76%	0.759	S	S	*	*			trans	84.2	86.6	151.9	-66	-37.6	0	0	0	122.4
929	S	30.4	Very low	32.2	Very low	96 Å²	96	144.7 Å²	144.7	67%	0.671	76%	0.757	S	S	*	*				64.4	152.1	110.1	63.2	0	0	0	0	124.5
930	T	28.5	Very low	31.7	Very low	139 Å²	139	143.1 Å²	143.1	85%	0.853	76%	0.759	S	S	*	*			trans	80	136.7	157.4	33.7	0	0	0	0	121.1
931	S	29.3	Very low	31.8	Very low	113 Å²	113	148.4 Å²	148.4	79%	0.79	76%	0.763	S	S	*	*			trans	-79.5	-176.1	177.5	-32.1	0	0	0	0	112.3
932	P	40.6	Very low	31.8	Very low	121 Å²	121	151 Å²	151	79%	0.786	77%	0.773	S	S	*	*			cis	-135.6	-168	1.1	41.4	-21.5	0	0	0	115.5
933	S	29.3	Very low	31.8	Very low	107 Å²	107	147.2 Å²	147.2	75%	0.748	77%	0.767	S	S	*	*			trans	-69.5	-179	167.6	-35.4	0	0	0	0	112.9
934	P	47.5	Very low	31.7	Very low	107 Å²	107	152.1 Å²	152.1	70%	0.695	79%	0.787	S	S	*	*			cis	-141.9	172.9	0.3	42.6	-24.9	0	0	0	117.8
935	S	29.8	Very low	31.8	Very low	108 Å²	108	146.1 Å²	146.1	76%	0.755	78%	0.782	S	S	*	*			trans	71.7	161.4	152.5	86.6	0	0	0	0	118.1
936	R	31.3	Very low	32.5	Very low	222 Å²	222	145 Å²	145	84%	0.838	79%	0.789	S	S	*	*			cis	-158.6	148.9	-0	-145.6	171.7	-174.3	-175.1	1	111.3
937	S	31.1	Very low	32.3	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	79%	0.787	S	S	*	*			trans	57.1	146.6	160.6	43.9	0	0	0	0	119.9
938	S	29.8	Very low	33.2	Very low	113 Å²	113	136 Å²	136	79%	0.79	79%	0.786	S	S	*	*			cis	-173	175.7	-17	61.4	0	0	0	0	106.4
939	S	32.1	Very low	33.1	Very low	119 Å²	119	136.7 Å²	136.7	83%	0.832	79%	0.787	S	S	*	*			cis	-159.4	167.8	-8.3	-126.5	0	0	0	0	106.9
940	G	29.7	Very low	33.2	Very low	65 Å²	65	137 Å²	137	67%	0.67	79%	0.789	S	S	*	*			cis	129.6	94.9	3.7	0	0	0	0	0	112.3
941	R	33	Very low	33.3	Very low	247 Å²	247	139.1 Å²	139.1	93%	0.932	79%	0.789	S	S	*	*			trans	-144.4	136.1	171	-79.8	-165.4	178.3	-151.7	-1.4	113.3
942	R	31.2	Very low	33.2	Very low	243 Å²	243	144.5 Å²	144.5	92%	0.917	79%	0.792	S	S	*	*			trans	67	138.8	166.2	-64.6	-170.6	165.2	179.6	-4.5	118.5
943	V	30.1	Very low	32.7	Very low	125 Å²	125	143.5 Å²	143.5	76%	0.758	79%	0.787	S	S	*	*			cis	-156.6	130.1	-31.1	165	0	0	0	0	107.3
944	K	28.6	Very low	32.7	Very low	195 Å²	195	146.4 Å²	146.4	85%	0.848	79%	0.789	S	S	*	*			trans	179.5	134.8	141.9	-108.5	173.8	178	178.8	0	113.4
945	S	34	Very low	31.7	Very low	114 Å²	114	151.7 Å²	151.7	80%	0.797	80%	0.796	S	S	*	*			trans	64.3	174.1	166.3	-47.2	0	0	0	0	116.1
946	P	44.9	Very low	31.7	Very low	117 Å²	117	150.9 Å²	150.9	76%	0.76	79%	0.79	S	S	*	*			cis	-137.5	-163.5	-0.5	40.7	-20.1	0	0	0	116.4
947	S	27	Very low	31.5	Very low	108 Å²	108	147.2 Å²	147.2	76%	0.755	78%	0.782	S	S	*	*			trans	84.6	160.8	151.3	-67.9	0	0	0	0	121.2
948	P	48.7	Very low	31.3	Very low	112 Å²	112	151.3 Å²	151.3	73%	0.727	78%	0.781	S	S	*	*			cis	-141.9	-167	-27.6	36.3	-15.1	0	0	0	116.2
949	K	29.2	Very low	31.4	Very low	190 Å²	190	150.7 Å²	150.7	83%	0.826	78%	0.776	S	S	*	*			trans	94.6	120.7	169.1	-63	-173.8	179.1	-175	0	116
950	S	30.6	Very low	31.3	Very low	103 Å²	103	153.2 Å²	153.2	72%	0.72	78%	0.775	S	S	*	*				86.1	129.3	51.1	77.5	0	0	0	0	112.8
951	E	31.3	Very low	31.3	Very low	182 Å²	182	158.2 Å²	158.2	85%	0.85	78%	0.778	S	S	*	*			cis	-147.3	-177.2	18.8	-60.9	-176.1	120.9	0	0	114.1
952	R	27.5	Very low	30.9	Very low	227 Å²	227	153.7 Å²	153.7	86%	0.857	77%	0.767	S	S	*	*			trans	110.3	109.5	138	-156.5	-179.9	-179.5	170.4	3	119.8
953	S	30.4	Very low	30.7	Very low	99 Å²	99	146.4 Å²	146.4	69%	0.692	75%	0.753	S	S	*	*			trans	60.2	140.2	144.3	76.9	0	0	0	0	120.2
954	E	28.6	Very low	30.6	Very low	169 Å²	169	144.6 Å²	144.6	79%	0.79	75%	0.747	S	S	*	*			cis	-150.8	178.2	4.1	-69	-161.4	143.1	0	0	112
955	R	27.2	Very low	30.5	Very low	218 Å²	218	145.8 Å²	145.8	82%	0.823	75%	0.746	S	S	*	*			trans	91.5	113.1	135.2	-126.9	-177	169.6	173	-3.4	122
956	S	28.9	Very low	30.1	Very low	90 Å²	90	145.3 Å²	145.3	63%	0.629	74%	0.743	S	S	*	*			trans	57.4	109.5	137.8	64.9	0	0	0	0	122.7
957	E	27.6	Very low	29.3	Very low	146 Å²	146	151 Å²	151	68%	0.682	75%	0.749	S	S	*	*				79.9	127.9	118.4	-71.7	-124.2	108.9	0	0	123.5
958	R	27.7	Very low	29.2	Very low	196 Å²	196	150.6 Å²	150.6	74%	0.74	75%	0.746	S	S	*	*			trans	76.5	103.1	138.2	-71.8	-178.8	-163.8	-130.9	-5.2	121.5
959	S	31.8	Very low	28.2	Very low	99 Å²	99	150.4 Å²	150.4	69%	0.692	75%	0.747	S	S	*	*				81.8	143.4	124	79.9	0	0	0	0	118.6
960	H	28.5	Very low	28.2	Very low	173 Å²	173	149.1 Å²	149.1	80%	0.801	74%	0.744	S	S	*	*			trans	-169.2	171.9	131	-96.6	-50.3	0	0	0	108.9
961	K	29.8	Very low	28.1	Very low	169 Å²	169	150.1 Å²	150.1	74%	0.735	74%	0.736	S	S	*	*			trans	74.8	152.1	171.3	-65	165.5	162.4	-94.3	0	115.6
962	E	26	Very low	27.9	Very low	152 Å²	152	148.9 Å²	148.9	71%	0.71	74%	0.735	S	S	*	*			cis	-134.6	-177.5	1.5	-151.3	114.7	-128.4	0	0	113.6
963	S	26	Very low	28.4	Very low	90 Å²	90	143 Å²	143	63%	0.629	73%	0.729	S	S	*	*			trans	-93.8	159.8	-162.5	56.4	0	0	0	0	114.1
964	S	27.4	Very low	29.3	Very low	88 Å²	88	143.3 Å²	143.3	62%	0.615	73%	0.728	S	S	*	*			trans	83.8	143.1	138.2	85.1	0	0	0	0	120.1
965	R	26.5	Very low	29.6	Very low	219 Å²	219	145.9 Å²	145.9	83%	0.826	73%	0.731	S	S	*	*			trans	72.4	97	144.7	-70.2	160.8	-178.4	174.4	0	119.3
966	S	27.4	Very low	29.9	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	72%	0.724	S	S	*	*				78.4	127.4	110.1	-58.7	0	0	0	0	120.7
967	R	26.9	Very low	29.9	Very low	235 Å²	235	141.9 Å²	141.9	89%	0.887	73%	0.732	S	S	*	*			trans	86	138.1	148.1	-71.6	175.2	169.5	159.6	-4.3	120
968	S	25.4	Very low	30.2	Very low	100 Å²	100	139.8 Å²	139.8	70%	0.699	73%	0.733	S	S	*	*			trans	66.2	105.5	137.9	62.9	0	0	0	0	120.6
969	S	28.1	Very low	30.4	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	74%	0.737	S	S	*	*				73.9	122.6	118.3	69.1	0	0	0	0	121.8
970	H	27.8	Very low	30.6	Very low	163 Å²	163	144.7 Å²	144.7	76%	0.755	75%	0.747	S	S	*	*			trans	99.9	160	133.9	-119.5	61.3	0	0	0	120
971	K	29.6	Very low	30.9	Very low	125 Å²	125	140.8 Å²	140.8	54%	0.543	75%	0.745	S	S	.	*			trans	-47	149.4	-171.3	-57.7	176.6	-176.9	-179.6	0	111.5	E823	E823-K971 IonicContact OE2-NZ 2.58Å; E823-K971 PolarHBondContact OE2-NZ 3.5Å
972	D	25.8	Very low	31.2	Very low	156 Å²	156	142.3 Å²	142.3	83%	0.834	75%	0.751	S	S	*	*				-156.3	169	53.8	-118.6	-46	0	0	0	117.5
973	S	38	Very low	31.4	Very low	104 Å²	104	146.9 Å²	146.9	73%	0.727	76%	0.762	S	S	*	*			trans	-93.4	-168	167.2	-130.4	0	0	0	0	109.3
974	P	50.2	Low	32	Very low	105 Å²	105	147.9 Å²	147.9	68%	0.682	77%	0.769	S	S	*	*			cis	-145.7	178.5	19.2	43.5	-23	0	0	0	117.9
975	R	34	Very low	33.3	Very low	223 Å²	223	149.2 Å²	149.2	84%	0.842	78%	0.775	S	S	*	*			trans	64.7	157.6	136.8	-89.7	-169.3	156.8	136.1	4.7	121.3
976	D	34	Very low	33.7	Very low	129 Å²	129	144.6 Å²	144.6	69%	0.69	78%	0.777	S	S	*	*			cis	-160.4	-169.5	-17.6	-147	-45.3	0	0	0	108.3
977	A	28.8	Very low	34	Very low	95 Å²	95	142.7 Å²	142.7	79%	0.785	77%	0.774	S	S	*	*			trans	110.2	141.6	156.8	0	0	0	0	0	117.7
978	S	34.6	Very low	34.4	Very low	101 Å²	101	137 Å²	137	71%	0.706	77%	0.77	S	S	*	*			trans	-149	165.1	-157.1	61.6	0	0	0	0	114.7
979	K	31.5	Very low	34.7	Very low	192 Å²	192	143.6 Å²	143.6	84%	0.835	78%	0.78	S	S	*	*			trans	138.9	123.1	154.3	-76	155.8	-173.6	176.2	0	110.6
980	K	35.7	Very low	35.3	Very low	206 Å²	206	144.8 Å²	144.8	90%	0.896	78%	0.782	S	S	*	*				76	107.8	57.9	-83.9	-171.4	172.9	174.9	0	115.5
981	A	35	Very low	37.1	Very low	91 Å²	91	141.5 Å²	141.5	75%	0.752	78%	0.776	S	S	*	*				147.5	121.8	108.2	0	0	0	0	0	118.8
982	K	36.8	Very low	37.6	Very low	201 Å²	201	144.6 Å²	144.6	87%	0.874	79%	0.789	S	S	*	*			trans	47.8	125.4	134.3	-54.9	-178.8	177.4	-176.3	0	123.4
983	R	29.8	Very low	38.1	Very low	249 Å²	249	148.6 Å²	148.6	94%	0.94	79%	0.793	S	S	*	*				175.3	159	101.3	-106.1	178.8	164.7	157.7	-5.2	115.5
984	S	39.6	Very low	38.3	Very low	111 Å²	111	148 Å²	148	78%	0.776	79%	0.789	S	S	*	*			trans	-124	173.8	171.1	-36.6	0	0	0	0	109.6
985	P	54.6	Low	37.7	Very low	115 Å²	115	154.6 Å²	154.6	75%	0.747	80%	0.8	S	S	*	*				-164.7	176.7	78.2	43.4	-21.5	0	0	0	120.6
986	S	35.3	Very low	37.7	Very low	122 Å²	122	155.1 Å²	155.1	85%	0.853	80%	0.802	S	S	*	*			trans	66.2	158.1	151.1	68.4	0	0	0	0	122.2
987	G	32.7	Very low	37.9	Very low	66 Å²	66	153.5 Å²	153.5	68%	0.68	80%	0.801	S	S	*	*			cis	161.6	157.3	-15	0	0	0	0	0	118.2
988	S	35.5	Very low	38.3	Very low	114 Å²	114	160.4 Å²	160.4	80%	0.797	81%	0.806	S	S	*	*			trans	80.9	139.6	154	79.3	0	0	0	0	125.2
989	R	30.9	Very low	38.4	Very low	239 Å²	239	160 Å²	160	90%	0.902	80%	0.803	S	S	*	*				170.4	157.3	118.4	-92.4	177.5	173.2	-171.2	-3.3	118.2
990	T	41.7	Very low	38.4	Very low	133 Å²	133	162.6 Å²	162.6	82%	0.816	81%	0.808	S	S	*	*			trans	-157.6	-156.7	-178.4	65.1	0	0	0	0	110.6
991	P	64.7	Low	38.4	Very low	95 Å²	95	157.8 Å²	157.8	62%	0.617	80%	0.8	S	S	*	*			cis	-139.6	-164.4	-23.1	34	-10.6	0	0	0	116.1
992	K	39.9	Very low	39.5	Very low	190 Å²	190	158.7 Å²	158.7	83%	0.826	80%	0.799	S	S	*	*			trans	102.8	161.1	159.3	-62.3	155.4	179.2	172.5	0	118
993	R	36.2	Very low	39.3	Very low	239 Å²	239	158.7 Å²	158.7	90%	0.902	80%	0.799	S	S	*	*			cis	-149.8	-153.7	18.6	-146.2	175	-176.6	-179.8	2.1	114.9
994	S	43.4	Very low	39.5	Very low	93 Å²	93	156.3 Å²	156.3	65%	0.65	80%	0.795	S	S	*	*			trans	-152.5	158.1	-150.8	60.6	0	0	0	0	119.3
995	R	37.3	Very low	39.2	Very low	243 Å²	243	155.7 Å²	155.7	92%	0.917	79%	0.791	S	S	*	*			trans	163.4	146.6	135.3	-95.9	170.1	171.9	178.5	-3.2	121
996	R	34.3	Very low	38	Very low	234 Å²	234	153.6 Å²	153.6	88%	0.883	79%	0.79	S	S	*	*			trans	87.7	127.3	139.7	-116.7	-173.9	-177.2	173	-0.9	126.7
997	S	36.9	Very low	37.9	Very low	94 Å²	94	157.6 Å²	157.6	66%	0.657	79%	0.792	S	S	*	*			trans	45.5	121.3	143.2	49.9	0	0	0	0	122.7
998	R	39	Very low	37.9	Very low	241 Å²	241	162.1 Å²	162.1	91%	0.909	79%	0.793	S	S	*	*				84.2	144.1	57.3	-89.9	-161.6	172.1	-171.2	-2	115.6
999	S	36.4	Very low	37.8	Very low	92 Å²	92	161.2 Å²	161.2	64%	0.643	79%	0.786	S	S	*	*			cis	172.7	129	-24.6	49.3	0	0	0	0	112.7
1000	R	31.7	Very low	37.8	Very low	246 Å²	246	156.9 Å²	156.9	93%	0.928	77%	0.77	S	S	*	*			trans	-176.2	163.2	167.9	-103.9	171.3	178.5	-167.1	-0.7	110.6
1001	S	34.3	Very low	37.4	Very low	105 Å²	105	154.8 Å²	154.8	73%	0.734	76%	0.761	S	S	*	*			cis	-151.1	-123.9	-40.1	-83.5	0	0	0	0	113.1
1002	P	57.7	Low	35.9	Very low	111 Å²	111	158.6 Å²	158.6	72%	0.721	77%	0.77	S	S	*	*				-138.4	176.4	-126.9	44.2	-24.8	0	0	0	121.9
1003	K	33.9	Very low	35.6	Very low	201 Å²	201	153.9 Å²	153.9	87%	0.874	76%	0.762	S	S	*	*			trans	104.2	147.5	165.3	-62.3	176.5	-178.1	179.2	0	115.3
1004	K	33.3	Very low	35.5	Very low	198 Å²	198	153.4 Å²	153.4	86%	0.861	76%	0.76	S	S	*	*			cis	-123.2	-90.3	19.3	-167.2	-164.5	170.7	-177.7	0	117.9
1005	S	32.8	Very low	35.2	Very low	99 Å²	99	154.4 Å²	154.4	69%	0.692	77%	0.767	S	S	*	*			trans	-158.6	173.9	-158.4	59	0	0	0	0	112.3
1006	G	30.3	Very low	36	Very low	70 Å²	70	147.7 Å²	147.7	72%	0.722	75%	0.754	S	S	*	*			cis	-168.1	-143	11.1	0	0	0	0	0	114
1007	K	32.8	Very low	36	Very low	206 Å²	206	144.9 Å²	144.9	90%	0.896	75%	0.751	S	S	*	*			trans	-157.6	157.8	-179.3	-64.7	-176.2	178.9	-177.4	0	112.4
1008	K	33.4	Very low	35.9	Very low	162 Å²	162	151 Å²	151	70%	0.704	76%	0.76	S	S	*	*			trans	128.9	111	137	-78.5	-172.5	175.4	179.4	0	119.5
1009	S	32.5	Very low	35.6	Very low	94 Å²	94	143.6 Å²	143.6	66%	0.657	75%	0.745	S	S	*	*				35.1	153.5	119.6	66.2	0	0	0	0	125.4
1010	R	31.9	Very low	35.5	Very low	148 Å²	148	146.8 Å²	146.8	56%	0.558	75%	0.749	S	S	*	*			trans	90.7	158.4	162.3	-78.2	-169.5	168.7	136.7	2.1	118	D711 G712	D711-R1010 PolarHBondContact O-NH1 3.13Å; G712-R1010 VanDerWaalsContact N-NH1 3.15Å; G712-R1010 PolarHBondContact O-NH2 3.47Å
1011	S	33.1	Very low	35.6	Very low	90 Å²	90	143.3 Å²	143.3	63%	0.629	74%	0.741	S	S	*	*			cis	-174.9	150.3	-44.6	50	0	0	0	0	113.5
1012	Q	32	Very low	35.8	Very low	174 Å²	174	147.7 Å²	147.7	81%	0.813	75%	0.747	S	S	*	*			trans	59.9	100.8	150.9	-83.1	-173.4	-27.4	0	0	123.6
1013	S	35	Very low	34.7	Very low	92 Å²	92	148.1 Å²	148.1	64%	0.643	75%	0.752	S	S	*	*				74.2	153.1	115.3	79.3	0	0	0	0	124.7
1014	R	32.5	Very low	34.9	Very low	229 Å²	229	147.9 Å²	147.9	86%	0.864	75%	0.751	S	S	*	*			trans	83.5	123.3	169.4	-56.4	173.5	178.5	-177.3	-1.3	114.6
1015	S	38.8	Very low	35.2	Very low	114 Å²	114	146.9 Å²	146.9	80%	0.797	75%	0.747	S	S	*	*			cis	75.3	142.9	49.9	-55.5	0	0	0	0	112.8
1016	P	53.1	Low	35.4	Very low	101 Å²	101	148.2 Å²	148.2	66%	0.656	75%	0.746	S	S	*	*			cis	-153.9	-177.2	41.1	44.1	-23.2	0	0	0	120
1017	H	35.1	Very low	36	Very low	176 Å²	176	153.7 Å²	153.7	82%	0.815	75%	0.75	S	S	*	*			trans	72.4	159.1	156.3	-60.3	-37	0	0	0	119
1018	R	33.6	Very low	36.3	Very low	223 Å²	223	155.8 Å²	155.8	84%	0.842	76%	0.763	S	S	*	*			cis	-153.1	129.5	8.5	-145.4	-175.8	-178	176.9	0.2	114.9
1019	S	32.9	Very low	36.4	Very low	84 Å²	84	155.5 Å²	155.5	59%	0.587	77%	0.765	S	S	*	*			trans	50.4	133.3	141.2	67.7	0	0	0	0	126.1
1020	H	35.3	Very low	36.6	Very low	160 Å²	160	158.7 Å²	158.7	74%	0.741	77%	0.771	S	S	*	*				120.3	116.4	123.6	-83.2	-32	0	0	0	123.6
1021	K	34.2	Very low	36.9	Very low	172 Å²	172	159.3 Å²	159.3	75%	0.748	78%	0.783	S	S	*	*			trans	60.6	113.6	132.5	-75.4	178.2	175.5	173	0	123.3
1022	K	36.8	Very low	37.1	Very low	198 Å²	198	163.4 Å²	163.4	86%	0.861	79%	0.792	S	S	*	*				40.4	109.7	123.6	-66.6	-173.5	175	-175.8	0	120.7
1023	S	34.9	Very low	37.4	Very low	120 Å²	120	162.7 Å²	162.7	84%	0.839	79%	0.791	S	S	*	*				168.4	141.9	117.1	43.8	0	0	0	0	108.8
1024	K	38.2	Very low	37.6	Very low	196 Å²	196	167.4 Å²	167.4	85%	0.852	80%	0.8	S	S	*	*			cis	100.6	117	31.7	-164.1	-180	-170.7	178.5	0	112.3
1025	K	39.9	Very low	37.9	Very low	177 Å²	177	163 Å²	163	77%	0.77	80%	0.796	S	S	*	*			trans	90.9	119.5	169.6	-80.4	-170	170.5	-175.4	0	120.5
1026	N	37.3	Very low	37.9	Very low	126 Å²	126	166.8 Å²	166.8	67%	0.674	80%	0.796	S	S	*	*				75.6	123.4	129.6	-69.3	21.2	0	0	0	121.9
1027	K	43.1	Very low	36.6	Very low	186 Å²	186	172.3 Å²	172.3	81%	0.809	81%	0.807	S	S	*	*			trans	54.5	115.3	136.3	-65.5	-168.8	173.8	-165.7	0	117.8
1028	H	38.2	Very low	36.8	Very low	249 Å²	249	171.9 Å²	171.9	100%	1.153	81%	0.807	S	S	*	*				-129.1	0	79.7	-140.8	-56.7	0	0	0	111.9

Retrieved 1,028 of 1,028 residues in 180.6 ms (Link to these results)

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