A0A096NTZ8_PAPAN Loading...

SEC23-interacting protein

Plays a role in the organization of endoplasmic reticulum exit sites. Specifically binds to phosphatidylinositol 3-phosphate (PI(3)P), phosphatidylinositol 4-phosphate (PI(4)P) and phosphatidylinositol 5-phosphate (PI(5)P).

AlphaFold DB , UniProt , Accession A0A096NTZ8, Species PAPAN (Papio anubis, Olive baboon), Gene SEC23IP, Length 1,000 aa.

						>A0A096NTZ8_PAPAN|A0A096NTZ8|SEC23IP
MAERKPNGGSGGVSTSSSGTNLLFSSSATEFSFNVPFIPVTQASASPASLLLPGEDSTDVGEEDSFLGQTSIHTSAPQTLSYFSQVSSSSDPFGNIGQSPLTTAATSGGQSGFPKHPTALPFTTGSQDVSNAFSPSISKAQPGAPPSSLMGINSYLPSQPSSLPPSHFGNPPQGVPQPGYNPYRHTPGSSRANPYIAPPQLQQCQTPGPPAHPPPSGPPVQMYQMPPGSLPPVPPSMQSPAQQQVPARPGAPSVQVPPPFLLQNQYEPVQPHWFYCKEVEYKQLWMPFSVFDSLNLEEIYNSVQPDPESVVLGTDGGRYDVYLYDRIRKAAYWEEEPAEVRRCTWFYKGDTDSRFIPYTEEFSEKLEAEYKKAVTTNQWHRRLEFPSGETIVMHNPKVIVQFQPSSVPDEWGTTQDGQTRPRVVKRGIDDNLDEIPDGEMPQVDHLVFVVHGIGPVCDLRFRSIIECVDDFRVVSLKLLQTHFKKSLDDGKISRVEFLPVHWHSSLGGDATGVDRNIKKITLPSIGRFRHFTNETLLDILFYNSPTYCQTIVEKVGMEINRLHALFMSRNPDFKGGVSVAGHSLGSLILFDILSNQKDLNLSKCPGPLAVANGVVKQLHFQEKQLPEEPKLTMDESCDLDVENEEVLTLQETLEALSLSEYFSTFEKEKIDMESLLMCTVDDLKEMGIPLGPRKKIANFVEHKAAKLKKAASEKKAVAATSTKGQEQSTQKTKDMASLPSESNEPKRKLPVGACVSSVCVNYESFEVGAGQVSVAYNSLDFEPEIFFALGSPIAMFLTIRGVDRIDENYSLPTCKGFFNIYHPLDPVAYRLEPMIVPDLDLKAVLIPHHKGRKRLHLELKESLSRMGSDLKQGFISSLKSAWQTLNEFARAHTSSTQLQEELEKVANQIKEEEEKQVVEAEKVVESPDFSKDEDYLGKVGMLNGGRRIDYVLQEKPIESFNEYLFALQSHLCYWESEDTALLLLKEIYRTMNISPEQPQH
					

Structure Viewer

Loading PAE data...

(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	31.6	Very low	32.9	Very low	238 Å²	238	135.2 Å²	135.2	100%	1.172	82%	0.819	S	S	*	*				0	119.3	0	-64.2	163.4	178.6	0	0	105.4
2	A	31	Very low	32.5	Very low	88 Å²	88	130.3 Å²	130.3	73%	0.727	82%	0.816	S	S	*	*			cis	67.5	128.9	47.3	0	0	0	0	0	111.8
3	E	31.8	Very low	32.3	Very low	139 Å²	139	130.7 Å²	130.7	65%	0.65	82%	0.817	S	S	*	*			cis	-163.2	167.3	-1.7	-124.9	-167.9	123.8	0	0	112.5
4	R	32.1	Very low	32.1	Very low	200 Å²	200	128.1 Å²	128.1	76%	0.755	81%	0.805	S	S	*	*			trans	34.8	120.6	148.5	-73.2	178.3	173.4	143.6	-9.8	120.2
5	K	42.5	Very low	31.9	Very low	183 Å²	183	128.4 Å²	128.4	80%	0.796	81%	0.806	S	S	*	*				73	157.4	91.9	-95	-172.1	178	-175.4	0	114.9
6	P	50.6	Low	31.8	Very low	121 Å²	121	126.3 Å²	126.3	79%	0.786	80%	0.797	S	S	*	*			cis	-138.8	-167.2	33.7	43.2	-23.4	0	0	0	117.2
7	N	31.9	Very low	31.7	Very low	154 Å²	154	125.9 Å²	125.9	82%	0.824	80%	0.799	S	S	*	*			trans	-94.4	160.1	-178.2	-69.4	7.5	0	0	0	114.2
8	G	28.2	Very low	31.5	Very low	82 Å²	82	125.6 Å²	125.6	85%	0.845	80%	0.801	S	S	*	*			trans	143	137	152.3	0	0	0	0	0	113.8
9	G	26.9	Very low	31.3	Very low	66 Å²	66	122.1 Å²	122.1	68%	0.68	79%	0.791	S	S	*	*			cis	168.9	153.9	-7.5	0	0	0	0	0	112.3
10	S	28.1	Very low	31.2	Very low	138 Å²	138	122.4 Å²	122.4	97%	0.965	79%	0.791	S	S	*	*			trans	58.4	152.2	175.8	61.4	0	0	0	0	119
11	G	27.5	Very low	31	Very low	78 Å²	78	123 Å²	123	80%	0.804	79%	0.788	S	S	*	*			cis	170.1	166.7	-10.4	0	0	0	0	0	114.4
12	G	27.9	Very low	30.9	Very low	77 Å²	77	118.4 Å²	118.4	79%	0.794	77%	0.767	S	S	*	*			trans	108.8	149.9	175.7	0	0	0	0	0	114.5
13	V	30.3	Very low	30.7	Very low	135 Å²	135	120.1 Å²	120.1	82%	0.818	76%	0.764	S	S	*	*			cis	-151.7	154.3	1.7	-178.8	0	0	0	0	109.9
14	S	29.2	Very low	30.4	Very low	94 Å²	94	121.8 Å²	121.8	66%	0.657	77%	0.769	S	S	*	*			trans	60.1	121.3	165.2	46.9	0	0	0	0	119.3
15	T	29.3	Very low	30.1	Very low	133 Å²	133	117.5 Å²	117.5	82%	0.816	77%	0.77	S	S	*	*				73.3	135.9	53.7	66	0	0	0	0	115.4
16	S	30	Very low	29.3	Very low	95 Å²	95	114.2 Å²	114.2	66%	0.664	77%	0.77	S	S	*	*			cis	-178.6	148.7	-9	49.5	0	0	0	0	112.5
17	S	29.7	Very low	28.2	Very low	119 Å²	119	114.2 Å²	114.2	83%	0.832	77%	0.773	S	S	*	*			trans	56.9	169.3	157.4	77.4	0	0	0	0	117.9
18	S	28.5	Very low	28	Very low	120 Å²	120	110.7 Å²	110.7	84%	0.839	77%	0.765	S	S	*	*			cis	-149.5	172.6	-6.7	-151.9	0	0	0	0	109.3
19	G	27.3	Very low	28	Very low	59 Å²	59	112.5 Å²	112.5	61%	0.608	76%	0.76	S	S	*	*			trans	-132.6	171.7	175.3	0	0	0	0	0	114
20	T	29.5	Very low	28.1	Very low	129 Å²	129	118.2 Å²	118.2	79%	0.791	77%	0.769	S	S	*	*			trans	174.8	138.3	152.7	20.8	0	0	0	0	113.9
21	N	27.3	Very low	27.9	Very low	136 Å²	136	120.3 Å²	120.3	73%	0.727	76%	0.761	S	S	*	*				32.8	149.2	127.4	-57.6	-12	0	0	0	122.1
22	L	28.8	Very low	27.9	Very low	140 Å²	140	121.7 Å²	121.7	73%	0.733	76%	0.758	S	S	*	*			cis	-174.6	159.3	-6.9	-110.9	175.5	0	0	0	112.3
23	L	27.8	Very low	27.7	Very low	125 Å²	125	127.1 Å²	127.1	65%	0.654	76%	0.76	S	S	*	*			trans	82.9	132.8	149.3	-70.8	175.5	0	0	0	126.5
24	F	25.1	Very low	27.6	Very low	174 Å²	174	128.1 Å²	128.1	76%	0.763	76%	0.761	S	S	*	*			trans	70.9	103	144.2	-69.6	-50.6	0	0	0	126.1
25	S	25	Very low	27.6	Very low	109 Å²	109	129.9 Å²	129.9	76%	0.762	77%	0.767	S	S	*	*				167.1	129.9	118.2	-71.8	0	0	0	0	109.6
26	S	26.2	Very low	27.6	Very low	115 Å²	115	127.7 Å²	127.7	80%	0.804	76%	0.755	S	S	*	*				57.9	124.2	72	-53.8	0	0	0	0	113.1
27	S	27.7	Very low	27.5	Very low	121 Å²	121	132.9 Å²	132.9	85%	0.846	77%	0.766	S	S	*	*			cis	-162.2	178.8	-0.7	53.4	0	0	0	0	107.8
28	A	27.2	Very low	27.4	Very low	80 Å²	80	133.6 Å²	133.6	66%	0.661	76%	0.759	S	S	*	*			cis	-163.6	162.9	23.4	0	0	0	0	0	113.9
29	T	28.8	Very low	27.4	Very low	119 Å²	119	132.9 Å²	132.9	73%	0.73	75%	0.752	S	S	*	*			trans	46.8	107.8	153.3	52.1	0	0	0	0	121.5
30	E	28.4	Very low	27.4	Very low	186 Å²	186	136.8 Å²	136.8	87%	0.869	76%	0.764	S	S	*	*			trans	-76.2	161.6	147.2	-60.6	169.2	123.6	0	0	110.8
31	F	25.2	Very low	27.3	Very low	182 Å²	182	137 Å²	137	80%	0.798	77%	0.765	S	S	*	*			trans	-140.3	117.1	167.5	-101.2	-82.4	0	0	0	111.4
32	S	26.4	Very low	27.5	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	77%	0.773	S	S	*	*			trans	-95.8	126	-179.9	-45.8	0	0	0	0	111	N34	S32-N34 PolarHBondContact O-N 3.12Å
33	F	24.4	Very low	27.4	Very low	192 Å²	192	137.7 Å²	137.7	84%	0.842	78%	0.777	S	S	*	*			trans	-87.5	106.3	174.3	-88.9	-88.6	0	0	0	111.7
34	N	28.8	Very low	27.3	Very low	155 Å²	155	137.6 Å²	137.6	83%	0.829	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-86.3	132.9	155.2	-84.5	-51	0	0	0	108.9	S32	S32-N34 PolarHBondContact O-N 3.12Å
35	V	28.2	Very low	27.4	Very low	131 Å²	131	133.6 Å²	133.6	79%	0.794	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-96.6	128.4	174.4	-178.3	0	0	0	0	109.1
36	P	29.1	Very low	27.4	Very low	87 Å²	87	134.3 Å²	134.3	57%	0.565	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-79	146	-175.7	31.3	-35.2	0	0	0	113
37	F	28.5	Very low	27.5	Very low	204 Å²	204	134.1 Å²	134.1	90%	0.895	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-92.5	129.9	173.8	-146.7	-93.6	0	0	0	109.6
38	I	28.4	Very low	27.3	Very low	134 Å²	134	133.5 Å²	133.5	69%	0.687	79%	0.789	S	S	*	*			trans	-128.1	130.1	175	-64.1	-177.4	0	0	0	108.5
39	P	28.1	Very low	27.3	Very low	106 Å²	106	134.4 Å²	134.4	69%	0.688	79%	0.791	S	S	*	*			trans	-85	143.9	-168.4	32.9	-36	0	0	0	113.8
40	V	27.7	Very low	27.3	Very low	140 Å²	140	134.6 Å²	134.6	85%	0.848	79%	0.787	S	S	*	*			trans	-84	127.2	163.6	177.6	0	0	0	0	109.3	Q42	V40-Q42 PolarHBondContact O-N 3.26Å
41	T	27.5	Very low	27.3	Very low	135 Å²	135	133.4 Å²	133.4	83%	0.828	79%	0.786	S	S	*	*			trans	-80.4	108.5	177.7	37.4	0	0	0	0	111.2
42	Q	31.2	Very low	27.4	Very low	189 Å²	189	132.5 Å²	132.5	88%	0.883	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-73.6	134	166.4	-72	-177.5	-18.7	0	0	110.5	V40	V40-Q42 PolarHBondContact O-N 3.26Å
43	A	25.8	Very low	27.5	Very low	100 Å²	100	133.1 Å²	133.1	83%	0.826	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-77.3	142.7	159.2	0	0	0	0	0	109.3	A45	A43-A45 PolarHBondContact O-N 3.19Å
44	S	26.9	Very low	27.6	Very low	123 Å²	123	127.5 Å²	127.5	86%	0.86	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-74.2	119.1	-162.9	56.2	0	0	0	0	114.9
45	A	25.8	Very low	27.4	Very low	91 Å²	91	129.8 Å²	129.8	75%	0.752	79%	0.791	S	S	*	*			trans	-107.2	140	141.7	0	0	0	0	0	107.9	A43 P47	A43-A45 PolarHBondContact O-N 3.19Å; A45-P47 WeakPolarHBondContact O-CD 3.28Å
46	S	25.4	Very low	27.4	Very low	124 Å²	124	131.6 Å²	131.6	87%	0.867	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-71.8	125.1	-169	-57.9	0	0	0	0	112.7
47	P	27.6	Very low	27.4	Very low	110 Å²	110	132.3 Å²	132.3	71%	0.714	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-88.8	142.5	176.7	34.2	-33	0	0	0	112.4	A45	A45-P47 WeakPolarHBondContact O-CD 3.28Å
48	A	25.1	Very low	27.5	Very low	108 Å²	108	129.6 Å²	129.6	89%	0.893	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-92	124.3	155.8	0	0	0	0	0	108.2
49	S	27.1	Very low	27.5	Very low	99 Å²	99	129.6 Å²	129.6	69%	0.692	81%	0.806	S	S	*	*			trans	-112.8	134.8	-172.5	-60.2	0	0	0	0	112.2
50	L	28.5	Very low	27.6	Very low	123 Å²	123	131.3 Å²	131.3	64%	0.644	81%	0.814	S	S	*	*			trans	-130	132	153.1	-95.9	168.6	0	0	0	108.7
51	L	27.9	Very low	27.5	Very low	162 Å²	162	127.8 Å²	127.8	85%	0.848	81%	0.806	S	S	*	*			trans	-110.3	144.2	177.6	-82.8	166.2	0	0	0	109.5
52	L	26.9	Very low	27.7	Very low	162 Å²	162	130 Å²	130	85%	0.848	81%	0.807	S	S	*	*			trans	-84.7	128.3	172.7	-65.7	168.2	0	0	0	110.1
53	P	28.8	Very low	27.6	Very low	121 Å²	121	129.1 Å²	129.1	79%	0.786	80%	0.803	S	S	*	*			trans	-77.2	157.6	142.8	35.2	-30.6	0	0	0	109.1
54	G	27.1	Very low	27.7	Very low	73 Å²	73	131.2 Å²	131.2	75%	0.753	80%	0.8	S	S	*	*			trans	-145.2	142.7	171.6	0	0	0	0	0	110.7
55	E	24.6	Very low	27.9	Very low	203 Å²	203	129.7 Å²	129.7	95%	0.949	79%	0.789	S	S	*	*			trans	-140.1	147.3	168	-70.2	-163.6	115.1	0	0	109.3
56	D	28.3	Very low	27.9	Very low	169 Å²	169	134.1 Å²	134.1	90%	0.904	79%	0.792	S	S	*	*			trans	-78.5	151.7	167.5	-86.6	-55.8	0	0	0	110.7
57	S	27.8	Very low	28.1	Very low	102 Å²	102	135 Å²	135	71%	0.713	79%	0.786	S	S	*	*				178.2	124.5	127.3	-177.6	0	0	0	0	112.9
58	T	30.3	Very low	28.2	Very low	148 Å²	148	133 Å²	133	91%	0.908	79%	0.786	S	S	*	*			trans	-137.6	115	140.5	53.3	0	0	0	0	108.6
59	D	28.8	Very low	28.4	Very low	134 Å²	134	136.1 Å²	136.1	72%	0.717	78%	0.782	S	S	*	*			trans	-85.7	144.7	-175.4	165.2	45.2	0	0	0	113.4
60	V	30.3	Very low	28.5	Very low	142 Å²	142	137.1 Å²	137.1	86%	0.861	78%	0.784	S	S	*	*			trans	-166.8	113.9	138.2	-99.8	0	0	0	0	112.7
61	G	26.9	Very low	28.5	Very low	65 Å²	65	136.1 Å²	136.1	67%	0.67	79%	0.787	S	S	*	*			trans	82.1	157.1	153.2	0	0	0	0	0	117.5
62	E	30.6	Very low	28.6	Very low	183 Å²	183	134.7 Å²	134.7	86%	0.855	78%	0.779	S	S	*	*			cis	-141.6	177.8	2.1	-64.9	-176.5	172.7	0	0	110.1
63	E	29.6	Very low	28.8	Very low	170 Å²	170	134.9 Å²	134.9	79%	0.794	78%	0.775	S	S	*	*			trans	-61.2	162.2	-177.6	52.9	-102	64.4	0	0	115.6
64	D	28.1	Very low	28.8	Very low	143 Å²	143	135 Å²	135	77%	0.765	77%	0.774	S	S	*	*			cis	-171.9	165.2	44.5	-168.7	1.3	0	0	0	113.4
65	S	31.6	Very low	28.8	Very low	91 Å²	91	136.8 Å²	136.8	64%	0.636	78%	0.775	S	S	*	*			trans	67.1	100.3	145.8	-79.8	0	0	0	0	125.6
66	F	25	Very low	29.1	Very low	185 Å²	185	131.8 Å²	131.8	81%	0.811	77%	0.768	S	S	*	*				80.6	129.8	107	-144.9	-126.3	0	0	0	123.7
67	L	30.1	Very low	29.8	Very low	142 Å²	142	129.2 Å²	129.2	74%	0.743	76%	0.76	S	S	*	*			trans	81.6	111.1	153.5	-90	176.4	0	0	0	124.5
68	G	28.2	Very low	30.1	Very low	69 Å²	69	132.8 Å²	132.8	71%	0.711	77%	0.766	S	S	*	*			trans	91.7	162.5	130.1	0	0	0	0	0	119.8
69	Q	30.2	Very low	30.1	Very low	173 Å²	173	130.9 Å²	130.9	81%	0.808	75%	0.754	S	S	*	*			cis	-168.3	148.4	-25.6	-146.7	-179.2	18.9	0	0	110.6
70	T	28.3	Very low	30.1	Very low	119 Å²	119	132.5 Å²	132.5	73%	0.73	76%	0.762	S	S	*	*			trans	69.5	-180	177.7	82	0	0	0	0	114.7
71	S	29.5	Very low	30.1	Very low	102 Å²	102	130.9 Å²	130.9	71%	0.713	76%	0.757	S	S	*	*			cis	-161.8	167.2	1	17.6	0	0	0	0	110.1
72	I	29.3	Very low	30.1	Very low	133 Å²	133	137.3 Å²	137.3	68%	0.682	76%	0.762	S	S	*	*			cis	-166.7	136.4	-41.1	-119.1	165.3	0	0	0	110.4
73	H	31.6	Very low	30	Very low	165 Å²	165	136.2 Å²	136.2	76%	0.764	76%	0.755	S	S	*	*			trans	65.1	157.5	161.8	-75.2	-139.7	0	0	0	118.4
74	T	28.1	Very low	30	Very low	124 Å²	124	132 Å²	132	76%	0.761	75%	0.745	S	S	*	*			cis	-157	169.3	-1.8	4.7	0	0	0	0	108.3
75	S	28.8	Very low	30.2	Very low	111 Å²	111	133.4 Å²	133.4	78%	0.776	75%	0.747	S	S	*	*			cis	-164.4	146.2	25.2	34.6	0	0	0	0	113.8
76	A	29	Very low	30.1	Very low	98 Å²	98	134.8 Å²	134.8	81%	0.81	75%	0.751	S	S	*	*			trans	-167.4	133.5	148.7	0	0	0	0	0	110.1
77	P	44	Very low	30.4	Very low	114 Å²	114	131.4 Å²	131.4	74%	0.74	75%	0.75	S	S	*	*			trans	-104.6	131.2	179.5	35.6	-29.8	0	0	0	114.8
78	Q	33.4	Very low	30.5	Very low	177 Å²	177	129.3 Å²	129.3	83%	0.827	75%	0.747	S	S	*	*				55.2	150.1	121.3	-58	-164.4	-4.5	0	0	121.5
79	T	31.1	Very low	30.6	Very low	108 Å²	108	130.9 Å²	130.9	66%	0.663	75%	0.748	S	S	*	*			cis	-167.7	153.8	-14.7	23.8	0	0	0	0	108.6
80	L	28.6	Very low	30.7	Very low	169 Å²	169	128.1 Å²	128.1	89%	0.885	75%	0.747	S	S	*	*				169.5	155.5	122.6	-91.7	164.5	0	0	0	111.7
81	S	30.5	Very low	31.3	Very low	108 Å²	108	128.3 Å²	128.3	76%	0.755	74%	0.744	S	S	*	*			trans	-148	158.8	-166.6	-34.6	0	0	0	0	111.3
82	Y	26.5	Very low	31.7	Very low	199 Å²	199	129 Å²	129	78%	0.78	75%	0.746	S	S	*	*			trans	-167	126.5	149.4	-132	-120.7	0	0	0	115
83	F	28.1	Very low	31.9	Very low	160 Å²	160	131.4 Å²	131.4	70%	0.702	75%	0.752	S	S	*	*			trans	57.9	164.3	150.2	-80.5	-131.1	0	0	0	120.7
84	S	30.6	Very low	31.9	Very low	82 Å²	82	127.4 Å²	127.4	57%	0.573	76%	0.755	S	S	*	*				176.5	166.7	-58.7	56.8	0	0	0	0	111.5
85	Q	31.7	Very low	32.2	Very low	173 Å²	173	128.5 Å²	128.5	81%	0.808	76%	0.756	S	S	*	*			trans	96.3	111.4	146.6	-83.8	-172.2	8.6	0	0	124.5
86	V	29.1	Very low	32.4	Very low	120 Å²	120	131.8 Å²	131.8	73%	0.727	76%	0.763	S	S	*	*			trans	62.5	133.4	135.1	-83.6	0	0	0	0	128.6
87	S	31.8	Very low	32.4	Very low	113 Å²	113	130.1 Å²	130.1	79%	0.79	76%	0.755	S	S	*	*			trans	72.3	166.6	134.5	-57.1	0	0	0	0	120.6
88	S	32.3	Very low	31.8	Very low	98 Å²	98	133.6 Å²	133.6	69%	0.685	76%	0.762	S	S	*	*			cis	-156.8	166	11.4	59.9	0	0	0	0	115.2
89	S	30.2	Very low	31.8	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	76%	0.755	S	S	*	*			trans	59.1	151.1	138.6	60.8	0	0	0	0	122.5
90	S	32.8	Very low	32.6	Very low	115 Å²	115	129.5 Å²	129.5	80%	0.804	76%	0.755	S	S	*	*			cis	-173.4	155.6	-9.1	46.5	0	0	0	0	111.8
91	D	39.5	Very low	32.6	Very low	122 Å²	122	129.4 Å²	129.4	65%	0.652	76%	0.755	S	S	*	*			trans	-101.5	146.8	171.6	164.7	63.3	0	0	0	113.1	F93	D91-F93 WeakPolarHBondContact OD2-CD2 3.5Å
92	P	39.3	Very low	32.6	Very low	117 Å²	117	129.7 Å²	129.7	76%	0.76	75%	0.752	S	S	*	*			trans	-126	105.5	163.4	35.8	-19.1	0	0	0	114.2
93	F	32.1	Very low	32.8	Very low	184 Å²	184	126.1 Å²	126.1	81%	0.807	75%	0.751	S	S	*	*			trans	-43.8	143.7	174.9	-78.4	-102.3	0	0	0	117.1	D91	D91-F93 WeakPolarHBondContact OD2-CD2 3.5Å
94	G	33.3	Very low	32.9	Very low	80 Å²	80	122.3 Å²	122.3	83%	0.825	75%	0.749	S	S	*	*			trans	-150.3	104.4	164.5	0	0	0	0	0	113.2
95	N	32.7	Very low	32.9	Very low	148 Å²	148	122.9 Å²	122.9	79%	0.791	76%	0.759	S	S	*	*			trans	-85.4	146.5	-177.7	-95.1	-60.3	0	0	0	113.9
96	I	32.9	Very low	32.8	Very low	179 Å²	179	121.1 Å²	121.1	92%	0.918	76%	0.76	S	S	*	*			trans	165.4	137	149.3	-87.8	149.7	0	0	0	107.6
97	G	29.4	Very low	33	Very low	63 Å²	63	120.8 Å²	120.8	65%	0.649	76%	0.763	S	S	*	*			cis	160.9	111.7	-11.8	0	0	0	0	0	114.2
98	Q	32.9	Very low	32.9	Very low	187 Å²	187	119.6 Å²	119.6	87%	0.874	77%	0.768	S	S	*	*			trans	63.9	123.2	163.8	-64	-170.4	5.6	0	0	118
99	S	31.5	Very low	32.7	Very low	99 Å²	99	118.6 Å²	118.6	69%	0.692	77%	0.774	S	S	*	*				83.5	167.3	56.7	88.9	0	0	0	0	113.7
100	P	48.8	Very low	32.8	Very low	101 Å²	101	122.7 Å²	122.7	66%	0.656	78%	0.781	S	S	*	*			cis	-136.1	174.1	-3.2	41	-24	0	0	0	116
101	L	29.7	Very low	32.7	Very low	167 Å²	167	123.1 Å²	123.1	87%	0.874	79%	0.785	S	S	*	*				-165.7	165.3	114.1	-127.9	96.9	0	0	0	112.8
102	T	29.7	Very low	32.1	Very low	113 Å²	113	121 Å²	121	69%	0.693	79%	0.791	S	S	*	*			trans	-125.9	155.4	-167.5	-37	0	0	0	0	108.1
103	T	30.2	Very low	32.1	Very low	125 Å²	125	125.4 Å²	125.4	77%	0.767	80%	0.799	S	S	*	*				-178.9	144.2	72.2	-52	0	0	0	0	113
104	A	30.6	Very low	32.5	Very low	80 Å²	80	122.6 Å²	122.6	66%	0.661	80%	0.799	S	S	*	*			trans	-30.4	148.3	154.8	0	0	0	0	0	117.3
105	A	30	Very low	32.3	Very low	94 Å²	94	128.6 Å²	128.6	78%	0.777	80%	0.803	S	S	*	*				63.8	146.7	79.5	0	0	0	0	0	114.4
106	T	30.6	Very low	32.1	Very low	135 Å²	135	130 Å²	130	83%	0.828	80%	0.804	S	S	*	*			cis	-140.9	-155.5	27.5	53.6	0	0	0	0	112.7
107	S	33.5	Very low	32.5	Very low	114 Å²	114	127.1 Å²	127.1	80%	0.797	80%	0.797	S	S	*	*				-171.6	138.4	-99.8	55.7	0	0	0	0	113.3
108	G	29.1	Very low	32.5	Very low	87 Å²	87	130.9 Å²	130.9	90%	0.897	81%	0.807	S	S	*	*			trans	161.4	155.4	163.7	0	0	0	0	0	117.8
109	G	28.8	Very low	32.6	Very low	78 Å²	78	126.2 Å²	126.2	80%	0.804	80%	0.801	S	S	*	*			trans	114.1	68.7	148	0	0	0	0	0	121.9
110	Q	30.9	Very low	32.6	Very low	188 Å²	188	129.4 Å²	129.4	88%	0.879	81%	0.809	S	S	*	*			trans	45.7	129.9	145.8	-68.2	-172.1	-19.3	0	0	124.3
111	S	30.4	Very low	32.6	Very low	125 Å²	125	129 Å²	129	87%	0.874	81%	0.807	S	S	*	*			trans	77.9	145.5	138.8	77.5	0	0	0	0	121.9
112	G	27.9	Very low	32.6	Very low	77 Å²	77	130.1 Å²	130.1	79%	0.794	81%	0.805	S	S	*	*			trans	128.9	112.6	159.3	0	0	0	0	0	116.9
113	F	39	Very low	32.5	Very low	210 Å²	210	131 Å²	131	92%	0.921	81%	0.81	S	S	*	*			trans	-72.9	159.6	159.1	-87.1	-94.5	0	0	0	111.1
114	P	41.7	Very low	32.5	Very low	124 Å²	124	131.9 Å²	131.9	81%	0.805	82%	0.816	S	S	*	*			trans	-129.6	164.2	139.3	36	-25.5	0	0	0	114.4
115	K	29	Very low	32.2	Very low	207 Å²	207	131.9 Å²	131.9	90%	0.9	82%	0.823	S	S	*	*			trans	-107.6	176.4	-179.6	-79.2	-176	173.3	-176.8	0	112.4
116	H	27.7	Very low	32.3	Very low	178 Å²	178	133 Å²	133	82%	0.824	83%	0.826	S	S	*	*			trans	-42.4	151.2	165.6	-96.7	-110.1	0	0	0	115.4
117	P	40.2	Very low	32.2	Very low	117 Å²	117	135.5 Å²	135.5	76%	0.76	83%	0.828	S	S	*	*			trans	-85.4	164.6	168.7	36.2	-35.1	0	0	0	113.3
118	T	29.7	Very low	32.1	Very low	142 Å²	142	137.2 Å²	137.2	87%	0.871	83%	0.828	S	S	*	*			trans	-146.8	157.7	172.9	-57.7	0	0	0	0	110
119	A	36.6	Very low	32	Very low	90 Å²	90	139.9 Å²	139.9	74%	0.744	83%	0.826	S	S	*	*			trans	-82	164.9	-166.3	0	0	0	0	0	116.3
120	L	30.6	Very low	32.1	Very low	166 Å²	166	141 Å²	141	87%	0.869	82%	0.822	S	S	*	*			trans	-150	167.9	174.6	-72	-176.8	0	0	0	109.4
121	P	49.1	Very low	32	Very low	92 Å²	92	139.4 Å²	139.4	60%	0.597	82%	0.819	S	S	*	*				-142.6	-152.7	-82.8	37.1	-12.5	0	0	0	114
122	F	28.6	Very low	31.8	Very low	191 Å²	191	137.4 Å²	137.4	84%	0.838	81%	0.81	S	S	*	*			trans	80.6	148.9	166	-64.9	-60.6	0	0	0	118.7
123	T	28.3	Very low	31.8	Very low	131 Å²	131	143.6 Å²	143.6	80%	0.804	82%	0.816	S	S	*	*			cis	-131.3	-171.8	-1.7	58.7	0	0	0	0	112.8
124	T	31	Very low	31.2	Very low	144 Å²	144	138.9 Å²	138.9	88%	0.883	81%	0.809	S	S	*	*			trans	-103.1	161.2	-177.5	49.4	0	0	0	0	115.1
125	G	24.1	Very low	30.9	Very low	79 Å²	79	139.1 Å²	139.1	81%	0.814	81%	0.81	S	S	*	*			trans	-171.5	146.1	164.4	0	0	0	0	0	112.9
126	S	31.3	Very low	30.9	Very low	119 Å²	119	134.2 Å²	134.2	83%	0.832	80%	0.802	S	S	*	*			trans	-158.9	134.2	-179.8	176.1	0	0	0	0	112.4
127	Q	29.5	Very low	31	Very low	187 Å²	187	132.5 Å²	132.5	87%	0.874	80%	0.797	S	S	*	*			trans	-171.4	158.8	145.6	-115.5	179.9	0.5	0	0	112.8
128	D	30.6	Very low	30.2	Very low	150 Å²	150	132.9 Å²	132.9	80%	0.802	80%	0.803	S	S	*	*			trans	-77.7	160.8	-178.2	-48.9	-95.2	0	0	0	114.9
129	V	28.1	Very low	30.3	Very low	143 Å²	143	135.6 Å²	135.6	87%	0.867	80%	0.803	S	S	*	*				-171.9	148.6	129.3	139.5	0	0	0	0	110.2
130	S	29.6	Very low	29.8	Very low	101 Å²	101	136.2 Å²	136.2	71%	0.706	81%	0.808	S	S	*	*			trans	-94.5	173.8	-173.5	-41.6	0	0	0	0	115.1
131	N	28.8	Very low	29.9	Very low	155 Å²	155	136.9 Å²	136.9	83%	0.829	81%	0.806	S	S	*	*			trans	91.2	99.8	158.3	-64.9	-21.2	0	0	0	120.9
132	A	26.7	Very low	29.2	Very low	82 Å²	82	139 Å²	139	68%	0.678	82%	0.82	S	S	*	*				95.8	153.2	110.3	0	0	0	0	0	121.6
133	F	26.9	Very low	29.2	Very low	208 Å²	208	132.9 Å²	132.9	91%	0.912	81%	0.811	S	S	*	*			trans	78.6	124.2	173.4	-65.7	-76.6	0	0	0	119.4
134	S	28	Very low	29.2	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	81%	0.813	S	S	*	*			trans	-95.9	169.3	172.9	31.6	0	0	0	0	111.6
135	P	33.9	Very low	30.3	Very low	128 Å²	128	130.5 Å²	130.5	83%	0.831	81%	0.808	S	S	*	*			trans	-108.1	125.5	154.4	33.8	-26.6	0	0	0	112.3
136	S	29.1	Very low	30.9	Very low	104 Å²	104	132.4 Å²	132.4	73%	0.727	81%	0.807	S	S	*	*			trans	-81.8	168.6	154.7	52.8	0	0	0	0	109.1
137	I	30.4	Very low	30.8	Very low	142 Å²	142	131.6 Å²	131.6	73%	0.728	80%	0.801	S	S	*	*			cis	-156.5	158.3	-7.1	-122	163.2	0	0	0	107.4
138	S	24.1	Very low	30.9	Very low	125 Å²	125	127.9 Å²	127.9	87%	0.874	80%	0.796	S	S	*	*			trans	-153.2	114.9	146.3	-82.5	0	0	0	0	109.4
139	K	31	Very low	30.9	Very low	200 Å²	200	128.1 Å²	128.1	87%	0.87	80%	0.796	S	S	*	*			trans	-132	137.3	175.6	-88.2	-171.1	173.2	-176.6	0	109.3
140	A	25.9	Very low	31	Very low	103 Å²	103	129.7 Å²	129.7	85%	0.851	80%	0.796	S	S	*	*			trans	-127.9	150	158.8	0	0	0	0	0	108.2
141	Q	32.5	Very low	30.9	Very low	179 Å²	179	128 Å²	128	84%	0.836	80%	0.795	S	S	*	*			trans	-91	175.9	-176	-60.9	176.9	-88.4	0	0	111.7
142	P	35.3	Very low	31.1	Very low	138 Å²	138	128.4 Å²	128.4	90%	0.896	80%	0.795	S	S	*	*				-119.9	143.2	116.4	34	-32.9	0	0	0	112.3
143	G	27.6	Very low	31.3	Very low	61 Å²	61	130.3 Å²	130.3	63%	0.629	79%	0.794	S	S	*	*			trans	-169.5	116.1	177.3	0	0	0	0	0	114.7
144	A	29.8	Very low	31.4	Very low	103 Å²	103	125 Å²	125	85%	0.851	78%	0.783	S	S	*	*			trans	67.9	149.3	163.2	0	0	0	0	0	119.8
145	P	52.8	Low	31.5	Very low	122 Å²	122	128.4 Å²	128.4	79%	0.792	78%	0.78	S	S	*	*			trans	-96	168.4	179.5	41.3	-37.9	0	0	0	112.7
146	P	37.9	Very low	31.4	Very low	120 Å²	120	128.9 Å²	128.9	78%	0.779	78%	0.775	S	S	*	*				-157.2	-170.1	92.7	41.7	-21.4	0	0	0	117.3
147	S	27.4	Very low	32.9	Very low	102 Å²	102	129.3 Å²	129.3	71%	0.713	78%	0.775	S	S	*	*			trans	81.7	73.6	151.4	53	0	0	0	0	122.6
148	S	32.9	Very low	32.7	Very low	109 Å²	109	128.2 Å²	128.2	76%	0.762	78%	0.78	S	S	*	*				26.7	135.9	116.8	63.6	0	0	0	0	123.2
149	L	30.5	Very low	32.8	Very low	155 Å²	155	131 Å²	131	81%	0.812	78%	0.779	S	S	*	*			trans	164.7	140.8	131.4	-89.9	165	0	0	0	107.7
150	M	30.2	Very low	34.2	Very low	176 Å²	176	126.2 Å²	126.2	87%	0.867	77%	0.768	S	S	*	*			cis	-137.6	171.8	-4.2	-79.5	-173	-178.2	0	0	108.1
151	G	27.2	Very low	34.2	Very low	66 Å²	66	126.1 Å²	126.1	68%	0.68	76%	0.762	S	S	*	*			cis	164.8	159.4	-8.5	0	0	0	0	0	112.2
152	I	32.3	Very low	33.9	Very low	163 Å²	163	123.2 Å²	123.2	84%	0.836	76%	0.761	S	S	*	*			trans	46.9	114.4	156.4	-56	174.9	0	0	0	116.7
153	N	31	Very low	33.9	Very low	121 Å²	121	124.7 Å²	124.7	65%	0.647	76%	0.761	S	S	*	*			cis	-131.8	-151.7	23.9	-140.2	9	0	0	0	110.6	Y155	N153-Y155 WeakPolarHBondContact OD1-CE2 3.29Å
154	S	29.9	Very low	35.5	Very low	97 Å²	97	127.4 Å²	127.4	68%	0.678	77%	0.767	S	S	*	*			cis	-151.7	-168.5	13.3	-152.6	0	0	0	0	113.4
155	Y	29.9	Very low	36.2	Very low	182 Å²	182	128.4 Å²	128.4	71%	0.714	77%	0.765	S	S	*	*			trans	-116.1	157.2	-166.6	-74.7	-101	0	0	0	112.7	N153	N153-Y155 WeakPolarHBondContact OD1-CE2 3.29Å
156	L	32.7	Very low	35.3	Very low	139 Å²	139	127.2 Å²	127.2	73%	0.728	76%	0.76	S	S	*	*			cis	-165.5	-164.9	-28.6	-135.3	75.6	0	0	0	107
157	P	58.6	Low	35.1	Very low	113 Å²	113	129 Å²	129	73%	0.734	76%	0.758	S	S	*	*			trans	-132.2	-173.4	-139.8	42.2	-20.3	0	0	0	116.4
158	S	26.6	Very low	35.3	Very low	119 Å²	119	133.9 Å²	133.9	83%	0.832	77%	0.766	S	S	*	*			trans	-165.5	146	141.4	55.6	0	0	0	0	114
159	Q	27.7	Very low	35	Very low	182 Å²	182	132.2 Å²	132.2	85%	0.85	77%	0.766	S	S	*	*			trans	-91.1	-167	165.3	-82.9	-166.3	-3.1	0	0	110.5
160	P	58.7	Low	34.9	Very low	100 Å²	100	132.7 Å²	132.7	65%	0.649	77%	0.77	S	S	*	*				-132.4	-162	-53.8	35.5	-17.3	0	0	0	112.9
161	S	26.8	Very low	36.2	Very low	101 Å²	101	129.4 Å²	129.4	71%	0.706	76%	0.761	S	S	*	*			trans	98.5	144.6	137.7	75	0	0	0	0	124.4
162	S	25.6	Very low	36.7	Very low	119 Å²	119	132.2 Å²	132.2	83%	0.832	77%	0.768	S	S	*	*			trans	74.1	140.4	151.2	49.8	0	0	0	0	123.9
163	L	35.2	Very low	36.8	Very low	169 Å²	169	133.5 Å²	133.5	89%	0.885	77%	0.77	S	S	*	*			trans	-91.7	175.3	168	-69.8	163.9	0	0	0	111.1
164	P	61.5	Low	36.8	Very low	118 Å²	118	130.7 Å²	130.7	77%	0.766	77%	0.77	S	S	*	*			cis	-112.7	-105.5	1.8	25	-0.2	0	0	0	113
165	P	45.6	Very low	36.8	Very low	123 Å²	123	132.9 Å²	132.9	80%	0.799	78%	0.779	S	S	*	*			cis	-111.7	-144.5	3.5	44.4	-32.1	0	0	0	113.9
166	S	34.1	Very low	37.3	Very low	98 Å²	98	129.8 Å²	129.8	69%	0.685	78%	0.781	S	S	*	*			trans	-152.1	169.7	-174.9	55.9	0	0	0	0	115.7
167	H	32.2	Very low	37.4	Very low	158 Å²	158	130.7 Å²	130.7	73%	0.731	78%	0.782	S	S	*	*			trans	108.3	120.1	161.5	-68.9	-88.1	0	0	0	122.8
168	F	32.1	Very low	36.2	Very low	203 Å²	203	131 Å²	131	89%	0.89	78%	0.784	S	S	*	*			trans	42.6	132.9	134.3	-75.1	-110.5	0	0	0	123.8
169	G	26.1	Very low	36.4	Very low	75 Å²	75	128.1 Å²	128.1	77%	0.773	77%	0.772	S	S	*	*			trans	168.5	127.9	155	0	0	0	0	0	117.2
170	N	28.6	Very low	36.4	Very low	164 Å²	164	130 Å²	130	88%	0.877	77%	0.773	S	S	*	*			trans	-106.5	-166.2	173.5	-73.9	-11.7	0	0	0	110.9
171	P	58.3	Low	35	Very low	107 Å²	107	132.5 Å²	132.5	70%	0.695	78%	0.781	S	S	*	*				-128.1	-165.8	-74.9	42.1	-26.2	0	0	0	112.3
172	P	37.6	Very low	35.6	Very low	125 Å²	125	132.7 Å²	132.7	81%	0.812	78%	0.78	S	S	*	*			trans	-130.6	-177.3	156.7	38.9	-25.5	0	0	0	114.8
173	Q	33.3	Very low	35.5	Very low	190 Å²	190	136.8 Å²	136.8	89%	0.888	78%	0.779	S	S	*	*			trans	-144.2	166.3	-174.5	-59	-178.3	19.3	0	0	111
174	G	31.1	Very low	35.1	Very low	62 Å²	62	139.9 Å²	139.9	64%	0.639	78%	0.778	S	S	*	*			cis	139.5	149.5	-5.5	0	0	0	0	0	113.6
175	V	30	Very low	33.8	Very low	143 Å²	143	141 Å²	141	87%	0.867	77%	0.773	S	S	*	*			trans	72	139.9	176.3	-163.5	0	0	0	0	113.1
176	P	40.7	Very low	33.1	Very low	118 Å²	118	141.1 Å²	141.1	77%	0.766	77%	0.772	S	S	*	*			cis	-126.8	160	22.5	41.6	-26.5	0	0	0	120.1
177	Q	34.4	Very low	33.3	Very low	158 Å²	158	142 Å²	142	74%	0.738	78%	0.775	S	S	*	*			trans	-13.1	154.5	146.2	-71.1	-63.8	-20.2	0	0	119.1	G179	Q177-G179 VanDerWaalsContact OE1-N 3.09Å
178	P	34	Very low	33.2	Very low	120 Å²	120	137.9 Å²	137.9	78%	0.779	78%	0.775	S	S	*	*			cis	-132.6	151.6	42.7	40.2	-24.8	0	0	0	118.4
179	G	30.6	Very low	33.1	Very low	57 Å²	57	133.7 Å²	133.7	59%	0.588	77%	0.771	S	S	*	*			trans	-92.2	170.8	169.2	0	0	0	0	0	114.8	Q177	Q177-G179 VanDerWaalsContact OE1-N 3.09Å
180	Y	27.4	Very low	33.5	Very low	223 Å²	223	135 Å²	135	88%	0.875	77%	0.768	S	S	*	*			trans	-139.9	127.1	174.9	-108.6	-89.5	0	0	0	111.6
181	N	30.3	Very low	33.7	Very low	151 Å²	151	138 Å²	138	81%	0.807	77%	0.767	S	S	*	*			trans	-121.1	176	159.4	-79.5	-35.2	0	0	0	107
182	P	38.3	Very low	32.3	Very low	105 Å²	105	137.2 Å²	137.2	68%	0.682	77%	0.77	S	S	*	*				-118.2	-178.6	-81.4	34.2	-16.8	0	0	0	112.1
183	Y	23.1	Very low	32.1	Very low	206 Å²	206	138.8 Å²	138.8	81%	0.808	77%	0.772	S	S	*	*			trans	56.4	106.1	168.6	-79.8	-88.5	0	0	0	119.4
184	R	27	Very low	32.5	Very low	233 Å²	233	134.8 Å²	134.8	88%	0.879	76%	0.763	S	S	*	*				-163.4	128.9	117.5	-116.2	175.9	179.4	-158.5	-2.8	115.7
185	H	35.3	Very low	32.4	Very low	142 Å²	142	142.5 Å²	142.5	66%	0.657	77%	0.774	S	S	*	*			trans	-2.6	151.8	147.1	-48.8	-52.7	0	0	0	118.9
186	T	30.6	Very low	32.4	Very low	125 Å²	125	143.3 Å²	143.3	77%	0.767	77%	0.772	S	S	*	*			cis	-179.2	-172.7	14.3	10.6	0	0	0	0	108.8
187	P	38.5	Very low	31.8	Very low	117 Å²	117	141.7 Å²	141.7	76%	0.76	77%	0.768	S	S	*	*			cis	-135.7	159.1	-16.6	29.6	-8.9	0	0	0	116.9
188	G	30.6	Very low	32	Very low	71 Å²	71	140 Å²	140	73%	0.732	77%	0.771	S	S	*	*			trans	77.7	153.9	154.7	0	0	0	0	0	117.7
189	S	29.2	Very low	32.6	Very low	116 Å²	116	139.3 Å²	139.3	81%	0.811	77%	0.766	S	S	*	*			cis	-174.8	168.5	-9.5	-106.7	0	0	0	0	109.3
190	S	34.1	Very low	32.3	Very low	101 Å²	101	144.9 Å²	144.9	71%	0.706	78%	0.777	S	S	*	*			cis	176.1	151.2	-25.9	-87.5	0	0	0	0	107.5
191	R	33.1	Very low	32.4	Very low	227 Å²	227	141.3 Å²	141.3	86%	0.857	77%	0.772	S	S	*	*			cis	-172.5	149.7	-20.1	-167.9	175.7	-167.7	166.6	2.5	107.3
192	A	29.3	Very low	32.1	Very low	92 Å²	92	141.9 Å²	141.9	76%	0.76	77%	0.77	S	S	*	*			trans	-109.8	153.9	171.1	0	0	0	0	0	111.7
193	N	32.4	Very low	31.7	Very low	157 Å²	157	144.7 Å²	144.7	84%	0.84	77%	0.774	S	S	*	*			trans	-106.9	150	-169	-76.6	-13.8	0	0	0	114.1
194	P	41.8	Very low	31.6	Very low	107 Å²	107	139.5 Å²	139.5	70%	0.695	77%	0.767	S	S	*	*			trans	-116.1	134.7	161.1	36.3	-25.4	0	0	0	114.5
195	Y	30.7	Very low	31.5	Very low	223 Å²	223	136.1 Å²	136.1	88%	0.875	76%	0.761	S	S	*	*			trans	64.6	149.6	138.5	-85.2	-87.1	0	0	0	125.5
196	I	28.1	Very low	30.9	Very low	161 Å²	161	135.2 Å²	135.2	83%	0.826	77%	0.766	S	S	*	*			trans	87.8	139.4	157.8	-68	154.8	0	0	0	119.4
197	A	28.4	Very low	31.6	Very low	83 Å²	83	135.3 Å²	135.3	69%	0.686	77%	0.768	S	S	*	*			trans	-134.9	-177.6	172.7	0	0	0	0	0	107.7
198	P	38.7	Very low	31	Very low	122 Å²	122	133.2 Å²	133.2	79%	0.792	77%	0.768	S	S	*	*			cis	-143.6	-131.7	46	30.7	-1.2	0	0	0	113.9
199	P	46.9	Very low	31.8	Very low	106 Å²	106	135.4 Å²	135.4	69%	0.688	77%	0.769	S	S	*	*				-126	166.6	-95.1	38.8	-23.2	0	0	0	116
200	Q	25.3	Very low	32.6	Very low	174 Å²	174	135.7 Å²	135.7	81%	0.813	77%	0.769	S	S	*	*				166.5	158.1	127.1	-94.9	-176.4	-4.7	0	0	115.4
201	L	27.9	Very low	32.5	Very low	149 Å²	149	134.6 Å²	134.6	78%	0.78	77%	0.765	S	S	*	*			trans	65.8	90.8	156	-69.4	165.9	0	0	0	122
202	Q	25.4	Very low	32.5	Very low	162 Å²	162	132.5 Å²	132.5	76%	0.757	77%	0.765	S	S	*	*				11.4	153.6	117.1	-129	-179.6	10.2	0	0	121.8
203	Q	28.7	Very low	33.1	Very low	165 Å²	165	133.2 Å²	133.2	77%	0.771	76%	0.762	S	S	*	*			trans	73.2	156.5	161.2	-64.8	-174.6	25.3	0	0	118
204	C	22.4	Very low	34.1	Very low	97 Å²	97	131.2 Å²	131.2	66%	0.655	76%	0.757	S	S	*	*			cis	-164.8	153.9	-37	-117.1	0	0	0	0	111.7
205	Q	24	Very low	34.2	Very low	161 Å²	161	131.4 Å²	131.4	75%	0.752	76%	0.759	S	S	*	*			trans	58.5	117.2	143.6	-66.1	-179.8	25.9	0	0	124.3
206	T	23.6	Very low	34.3	Very low	124 Å²	124	126.4 Å²	126.4	76%	0.761	76%	0.757	S	S	*	*				67.4	-179.1	127.1	69.6	0	0	0	0	120.7
207	P	44.5	Very low	34.6	Very low	126 Å²	126	121.9 Å²	121.9	82%	0.818	75%	0.75	S	S	*	*				-135	176.5	-71.1	40.6	-25.3	0	0	0	116
208	G	26	Very low	35.7	Very low	73 Å²	73	124 Å²	124	75%	0.753	76%	0.756	S	S	*	*			trans	172.9	125	162	0	0	0	0	0	117.2
209	P	48.4	Very low	35.8	Very low	117 Å²	117	124.2 Å²	124.2	76%	0.76	76%	0.757	S	S	*	*			trans	-112.1	178.4	178.3	45.1	-36.2	0	0	0	112.9
210	P	46	Very low	35	Very low	123 Å²	123	125.4 Å²	125.4	80%	0.799	76%	0.763	S	S	*	*				-131.9	147.7	73.8	27.7	-9	0	0	0	113.3
211	A	31.7	Very low	35.3	Very low	77 Å²	77	126.1 Å²	126.1	64%	0.636	77%	0.766	S	S	*	*			cis	90.8	107.5	35.7	0	0	0	0	0	114.8
212	H	31.9	Very low	35.4	Very low	184 Å²	184	127 Å²	127	85%	0.852	77%	0.768	S	S	*	*			trans	171.9	163.9	140.4	-94	-58.8	0	0	0	111.8
213	P	42.8	Very low	35.5	Very low	107 Å²	107	129 Å²	129	70%	0.695	77%	0.77	S	S	*	*				-119.5	-179.3	-125.1	46.4	-38	0	0	0	116.9
214	P	53.6	Low	35.5	Very low	114 Å²	114	128.8 Å²	128.8	74%	0.74	77%	0.769	S	S	*	*			trans	-91.3	-173.4	-173.3	40.1	-37	0	0	0	113.3
215	P	43.9	Very low	35.8	Very low	111 Å²	111	131.7 Å²	131.7	72%	0.721	78%	0.775	S	S	*	*				-160.4	179.4	98.3	42.5	-23.3	0	0	0	118.7
216	S	31.3	Very low	37.1	Very low	119 Å²	119	128.9 Å²	128.9	83%	0.832	77%	0.771	S	S	*	*			trans	82	162.4	140.3	72.6	0	0	0	0	121.9
217	G	34.9	Very low	38.2	Very low	66 Å²	66	129.2 Å²	129.2	68%	0.68	78%	0.775	S	S	*	*			trans	-110.6	-149.2	-169.3	0	0	0	0	0	115.6
218	P	52.2	Low	37.5	Very low	127 Å²	127	126.1 Å²	126.1	83%	0.825	77%	0.766	S	S	*	*			trans	-94.5	158.9	-150	36.4	-38.9	0	0	0	116.7
219	P	41.1	Very low	37.6	Very low	126 Å²	126	128.7 Å²	128.7	82%	0.818	77%	0.772	S	S	*	*			trans	-124.2	171.6	150.7	38.4	-27.4	0	0	0	113.6
220	V	30.5	Very low	36.9	Very low	132 Å²	132	131 Å²	131	80%	0.8	78%	0.777	S	S	*	*			trans	-131.1	131.8	-179	175.6	0	0	0	0	110.6
221	Q	30.8	Very low	37.4	Very low	189 Å²	189	130.2 Å²	130.2	88%	0.883	77%	0.773	S	S	*	*			trans	174.8	135.7	151.4	-96.8	154.9	18.5	0	0	108.3
222	M	29.3	Very low	37.7	Very low	166 Å²	166	132.6 Å²	132.6	82%	0.818	78%	0.781	S	S	*	*			cis	85.6	108.3	35.6	-90.8	-150	167.7	0	0	117.5
223	Y	28.6	Very low	37.8	Very low	205 Å²	205	130 Å²	130	80%	0.804	78%	0.779	S	S	*	*			trans	-156.4	113.9	139.6	-94.8	-83.6	0	0	0	106
224	Q	27.6	Very low	38.5	Very low	160 Å²	160	130.2 Å²	130.2	75%	0.748	78%	0.78	S	S	*	*				71	141.1	84.7	-71.3	-174.9	1.5	0	0	115.8
225	M	29.6	Very low	38.3	Very low	159 Å²	159	130.1 Å²	130.1	78%	0.783	78%	0.779	S	S	*	*			cis	-165.6	-149.6	-24.1	-112.3	-87.6	88.8	0	0	110
226	P	50.6	Low	37.8	Very low	102 Å²	102	129.9 Å²	129.9	66%	0.662	78%	0.78	S	S	*	*				-101	-154.6	-126.1	37.1	-12.5	0	0	0	114.2
227	P	46.3	Very low	37.8	Very low	130 Å²	130	131.2 Å²	131.2	84%	0.844	78%	0.775	S	S	*	*			cis	-125.6	-159.2	-10.3	44.4	-26.7	0	0	0	112.6
228	G	29.9	Very low	37.5	Very low	62 Å²	62	136.3 Å²	136.3	64%	0.639	78%	0.781	S	S	*	*			cis	146.2	162.1	-15.4	0	0	0	0	0	115.9
229	S	28.8	Very low	36.4	Very low	126 Å²	126	135.7 Å²	135.7	88%	0.881	78%	0.78	S	S	*	*			trans	88.6	164.2	166.4	78.7	0	0	0	0	122.6
230	L	33.1	Very low	36.7	Very low	165 Å²	165	135.3 Å²	135.3	86%	0.864	78%	0.777	S	S	*	*			trans	-150.5	-175.1	-168	-78.5	169.3	0	0	0	108.8
231	P	56	Low	36.5	Very low	108 Å²	108	133.2 Å²	133.2	70%	0.701	77%	0.774	S	S	*	*			cis	-119.4	-168.2	-46.5	38.7	-22.2	0	0	0	111.7
232	P	39.8	Very low	36.5	Very low	126 Å²	126	132.2 Å²	132.2	82%	0.818	77%	0.769	S	S	*	*				-157	-167.3	99.9	41.4	-20.1	0	0	0	116.6
233	V	32.4	Very low	36.5	Very low	131 Å²	131	131.2 Å²	131.2	79%	0.794	76%	0.762	S	S	*	*			trans	-157.6	170.1	-167.6	-179.4	0	0	0	0	109.3
234	P	58.6	Low	36.6	Very low	111 Å²	111	130 Å²	130	72%	0.721	76%	0.764	S	S	*	*			cis	-113.9	-154.9	-41	37	-16.9	0	0	0	111.8
235	P	49.6	Very low	36.7	Very low	111 Å²	111	128.8 Å²	128.8	72%	0.721	77%	0.767	S	S	*	*				-153.5	145.9	76	39.3	-17.8	0	0	0	120.5
236	S	32.8	Very low	37.4	Very low	107 Å²	107	126.9 Å²	126.9	75%	0.748	77%	0.767	S	S	*	*			trans	55	179	142.2	76.4	0	0	0	0	121.2
237	M	30.9	Very low	36.3	Very low	147 Å²	147	127 Å²	127	72%	0.724	78%	0.776	S	S	*	*			cis	-158.2	137.1	-3.9	-146.5	166.5	178.5	0	0	115.6
238	Q	29.8	Very low	35.7	Very low	173 Å²	173	132.3 Å²	132.3	81%	0.808	78%	0.779	S	S	*	*			trans	55.4	165.3	147.5	-74.1	-179.5	-7.1	0	0	125.3
239	S	28.6	Very low	36.1	Very low	113 Å²	113	134.8 Å²	134.8	79%	0.79	79%	0.785	S	S	*	*			trans	-100.2	-166.9	-166	-34.4	0	0	0	0	113.4
240	P	46.3	Very low	36.2	Very low	118 Å²	118	132.6 Å²	132.6	77%	0.766	78%	0.782	S	S	*	*			cis	-143	-174.9	-0.4	44.2	-24.6	0	0	0	118.2
241	A	28.1	Very low	36.4	Very low	88 Å²	88	129.2 Å²	129.2	73%	0.727	78%	0.778	S	S	*	*			trans	86.6	127.9	140.3	0	0	0	0	0	124.7
242	Q	29.8	Very low	35.4	Very low	168 Å²	168	130.4 Å²	130.4	79%	0.785	79%	0.785	S	S	*	*			trans	81.6	130	136.5	-81.9	-168.1	11.6	0	0	125.2
243	Q	29	Very low	35.1	Very low	145 Å²	145	129.8 Å²	129.8	68%	0.678	78%	0.784	S	S	*	*			trans	97.6	128.6	138.5	-77.3	-179.5	41	0	0	123.9
244	Q	31	Very low	35.6	Very low	179 Å²	179	129.8 Å²	129.8	84%	0.836	78%	0.784	S	S	*	*			trans	78.6	104	145.4	-68.8	177.3	-2.2	0	0	123
245	V	30.2	Very low	34.4	Very low	136 Å²	136	133.5 Å²	133.5	82%	0.824	79%	0.792	S	S	*	*			trans	-76.4	157.5	151.3	170.2	0	0	0	0	108.4
246	P	44.3	Very low	34.1	Very low	119 Å²	119	134 Å²	134	77%	0.773	79%	0.793	S	S	*	*			cis	-134.9	167.7	21.8	25.2	-1.1	0	0	0	118.4
247	A	27.7	Very low	34.3	Very low	104 Å²	104	133 Å²	133	86%	0.86	78%	0.783	S	S	*	*				179.9	148.3	123.4	0	0	0	0	0	113.4
248	R	32.2	Very low	34.8	Very low	241 Å²	241	131.1 Å²	131.1	91%	0.909	78%	0.782	S	S	*	*			trans	-101.9	168.2	165.8	-125.5	-175.7	167.9	178.9	-3.4	108.1
249	P	38.8	Very low	35.3	Very low	115 Å²	115	128.5 Å²	128.5	75%	0.747	78%	0.78	S	S	*	*			cis	-128.3	150.7	-4.3	38.5	-22.8	0	0	0	115.2
250	G	31.9	Very low	35.8	Very low	80 Å²	80	132.1 Å²	132.1	83%	0.825	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-97.7	145	170.6	0	0	0	0	0	113.1
251	A	36.1	Very low	35.4	Very low	94 Å²	94	133.8 Å²	133.8	78%	0.777	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.5	166.3	166.7	0	0	0	0	0	111	S253	A251-S253 PolarHBondContact O-N 3.24Å
252	P	36.2	Very low	36.2	Very low	132 Å²	132	137.1 Å²	137.1	86%	0.857	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-69.2	122.1	-162.7	26.3	-34.7	0	0	0	113.4
253	S	32.4	Very low	37.2	Very low	114 Å²	114	136 Å²	136	80%	0.797	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-88.3	138.8	160.6	-172.7	0	0	0	0	109.3	A251 Q255	A251-S253 PolarHBondContact O-N 3.24Å; S253-Q255 PolarHBondContact O-N 2.75Å; S253-Q255 VanDerWaalsContact O-N 3.12Å
254	V	43.9	Very low	38.6	Very low	131 Å²	131	132.7 Å²	132.7	79%	0.794	77%	0.77	S	S	*	*			trans	-68.4	108.7	179.9	177.4	0	0	0	0	109.4	V256	V254-V256 PolarHBondContact O-N 2.98Å
255	Q	33.3	Very low	40.8	Very low	188 Å²	188	132.4 Å²	132.4	88%	0.879	77%	0.769	S	S	*	*			trans	-72.9	106.9	163.4	-81.1	-171.4	-34.9	0	0	109	S253	S253-Q255 PolarHBondContact O-N 2.75Å; S253-Q255 VanDerWaalsContact O-N 3.12Å
256	V	43	Very low	43.6	Very low	122 Å²	122	128.7 Å²	128.7	74%	0.739	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-54.8	129.1	158	-178.6	0	0	0	0	107.2	V254	V254-V256 PolarHBondContact O-N 2.98Å
257	P	38	Very low	45.7	Very low	85 Å²	85	130.3 Å²	130.3	55%	0.552	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-56.7	141.3	174.3	-23.1	33.2	0	0	0	110.1
258	P	39.7	Very low	48.5	Very low	109 Å²	109	129.6 Å²	129.6	71%	0.708	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-55.6	144.8	166.4	27.2	-33.9	0	0	0	108.6	F260	P258-F260 PolarHBondContact O-N 2.78Å
259	P	41.4	Very low	51.3	Low	117 Å²	117	119.2 Å²	119.2	76%	0.76	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-55.4	131.4	-178.1	23.9	-33.9	0	0	0	109.5	L261	P259-L261 VanDerWaalsContact C-N 3.31Å; P259-L261 PolarHBondContact O-N 2.79Å
260	F	39	Very low	53.7	Low	189 Å²	189	121.7 Å²	121.7	83%	0.829	69%	0.69	S	S	*	*			trans	-61.7	89.9	-174.9	-75.4	-92.8	0	0	0	111.1	P258 L262	P258-F260 PolarHBondContact O-N 2.78Å; F260-L262 VanDerWaalsContact C-N 3.27Å; F260-L262 PolarHBondContact O-N 3.37Å
261	L	37.9	Very low	56.5	Low	153 Å²	153	119.1 Å²	119.1	80%	0.801	66%	0.658	S	S	*	*			trans	-65.4	96.4	154.5	-70.5	175.8	0	0	0	106.6	P259 Q263	P259-L261 VanDerWaalsContact C-N 3.31Å; P259-L261 PolarHBondContact O-N 2.79Å; L261-Q263 PolarHBondContact O-N 3.27Å
262	L	45.5	Very low	59.2	Low	159 Å²	159	115.7 Å²	115.7	83%	0.832	63%	0.626	S	S	*	*			trans	-66.6	64.1	158.1	-83.9	168	0	0	0	108.8	F260 N264	F260-L262 VanDerWaalsContact C-N 3.27Å; F260-L262 PolarHBondContact O-N 3.37Å; L262-N264 PolarHBondContact O-N 2.9Å
263	Q	49.1	Very low	62	Low	143 Å²	143	109.4 Å²	109.4	67%	0.668	59%	0.585	S	S	*	*			trans	-66.2	119.3	160.4	-175.4	169.3	4.4	0	0	105.6	L261 Q265	L261-Q263 PolarHBondContact O-N 3.27Å; Q263-Q265 VanDerWaalsContact C-N 3.3Å; Q263-Q265 PolarHBondContact O-N 3.22Å
264	N	59.5	Low	64.9	Low	77 Å²	77	104.7 Å²	104.7	41%	0.412	55%	0.55	S	S	.	*			trans	-61.6	94.6	176.4	-67.6	-37.8	0	0	0	108.1	L262 Y266 V374	L262-N264 PolarHBondContact O-N 2.9Å; N264-Y266 PolarHBondContact O-N 3.48Å; N264-V374 HydrophobicContact CB-CG1 3.98Å; N264-V374 VanDerWaalsContact O-CG1 3.28Å; N264-V374 WeakPolarHBondContact O-CG1 3.36Å
265	Q	77.8	Confident	67.3	Low	173 Å²	173	99.9 Å²	99.9	81%	0.808	52%	0.518	S	S	*	.			trans	-70.9	131.7	176.1	-63.9	-167.6	22	0	0	107.7	Q263 E267	Q263-Q265 VanDerWaalsContact C-N 3.3Å; Q263-Q265 PolarHBondContact O-N 3.22Å; Q265-E267 PolarHBondContact O-N 3.46Å
266	Y	87.8	Confident	70.1	Confident	58 Å²	58	91.5 Å²	91.5	23%	0.227	48%	0.48	C	S	.	.			trans	-72.5	112	173.7	167.7	-90.4	0	0	0	108.7	N264 P268 E367 Y370 K371	N264-Y266 PolarHBondContact O-N 3.48Å; Y266-P268 HydrophobicContact CE1-CB 4.38Å; Y266-P268 HydrophobicContact CE1-CG 4.05Å; Y266-E367 WeakPolarHBondContact CE2-OE1 3.28Å; Y266-E367 PolarHBondContact OH-OE1 2.85Å; Y266-Y370 HydrophobicContact CE2-CD1 4.39Å; Y266-K371 HydrophobicContact CD1-CD 4.21Å; Y266-K371 HydrophobicContact CD1-CG 4.13Å; Y266-K371 HydrophobicContact CD2-CB 3.69Å; Y266-K371 HydrophobicContact CD2-CD 4.29Å; Y266-K371 HydrophobicContact CD2-CG 3.58Å; Y266-K371 HydrophobicContact CE1-CD 3.85Å; Y266-K371 HydrophobicContact CE1-CG 4.17Å; Y266-K371 HydrophobicContact CE2-CB 3.42Å; Y266-K371 VanDerWaalsContact CE2-CB 3.42Å; Y266-K371 HydrophobicContact CE2-CD 3.87Å; Y266-K371 HydrophobicContact CE2-CG 3.55Å; Y266-K371 HydrophobicContact CG-CB 4.45Å; Y266-K371 HydrophobicContact CG-CD 4.42Å; Y266-K371 HydrophobicContact CG-CG 3.84Å
267	E	88.1	Confident	72.2	Confident	152 Å²	152	88.6 Å²	88.6	71%	0.71	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-93.3	124.2	168.4	179.1	168.9	-149.3	0	0	108.7	Q265 V269 R426	Q265-E267 PolarHBondContact O-N 3.46Å; E267-V269 PolarHBondContact O-N 3.21Å; E267-R426 PolarHBondContact O-NH1 2.69Å; E267-R426 PolarHBondContact O-NH2 2.96Å
268	P	87.7	Confident	74.4	Confident	90 Å²	90	89.7 Å²	89.7	58%	0.584	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-57.7	136.6	176.1	-22.2	32.8	0	0	0	111.9	Y266	Y266-P268 HydrophobicContact CE1-CB 4.38Å; Y266-P268 HydrophobicContact CE1-CG 4.05Å
269	V	90.3	Very high	76.2	Confident	23 Å²	23	86.9 Å²	86.9	14%	0.139	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-71.5	130.8	170.4	50.8	0	0	0	0	109.4	E267 T344 E367 R426	E267-V269 PolarHBondContact O-N 3.21Å; V269-T344 HydrophobicContact CG1-CG2 3.84Å; V269-T344 HydrophobicContact CG2-CG2 4.18Å; V269-E367 HydrophobicContact CG1-CG 4.2Å; V269-R426 HydrophobicContact CB-CG 4.27Å; V269-R426 HydrophobicContact CG2-CG 4.29Å; V269-R426 VanDerWaalsContact N-NH2 3.15Å
270	Q	89	Confident	77.8	Confident	167 Å²	167	88.2 Å²	88.2	78%	0.78	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-73.1	128.2	167	-68	-175	-4.1	0	0	108.7
271	P	91.8	Very high	79.5	Confident	26 Å²	26	89.6 Å²	89.6	17%	0.169	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-72.2	157.8	171.8	32.9	-34.8	0	0	0	110.2	E297 R342 C343 T344	P271-E297 HydrophobicContact CG-CG 3.97Å; P271-E297 VanDerWaalsContact CG-OE1 3.28Å; P271-E297 WeakPolarHBondContact CG-OE1 3.4Å; P271-E297 WeakPolarHBondContact CG-OE2 3.47Å; P271-R342 HydrophobicContact CB-CG 3.86Å; P271-C343 WeakPolarHBondContact CA-O 3.38Å; P271-T344 HydrophobicContact CB-CG2 3.71Å
272	H	93.1	Very high	81.6	Confident	21 Å²	21	87.4 Å²	87.4	10%	0.097	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.6	165.3	-167.8	83	0	0	0	109.2	F274 F288 S293 C343 I428	H272-F274 HydrophobicContact CB-CE2 4.08Å; H272-F274 AromaticContact CD2-CE2 3.71Å; H272-F274 WeakPolarHBondContact O-CD2 3.44Å; H272-F288 PolarHBondContact CE1-O 2.62Å; H272-F288 PolarHBondContact NE2-O 3.02Å; H272-S293 WeakPolarHBondContact CA-OG 3.09Å; H272-S293 WeakPolarHBondContact CE1-CB 3.46Å; H272-S293 PolarHBondContact CE1-OG 3.1Å; H272-S293 VanDerWaalsContact CG-OG 3.27Å; H272-S293 WeakPolarHBondContact ND1-CB 3.37Å; H272-S293 PolarHBondContact ND1-OG 3.38Å; H272-C343 PolarHBondContact N-O 3.42Å; H272-C343 WeakPolarHBondContact O-CB 3.44Å; H272-C343 PolarHBondContact O-N 2.85Å; H272-I428 HydrophobicContact CB-CD1 3.47Å; H272-I428 VanDerWaalsContact CB-CD1 3.47Å; H272-I428 HydrophobicContact CB-CG1 4.37Å
273	W	93.8	Very high	83.5	Confident	0 Å²	0	86 Å²	86	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	141.9	-178	-67.4	78.4	0	0	0	111.2	F288 S293 L296 E297 Y300 L323 V340 R341 R342	W273-F288 HydrophobicContact CB-CB 4.41Å; W273-F288 HydrophobicContact CB-CD2 3.7Å; W273-F288 HydrophobicContact CB-CE2 4.38Å; W273-F288 HydrophobicContact CB-CG 4.37Å; W273-F288 PolarHBondContact O-N 2.72Å; W273-S293 PolarHBondContact N-OG 2.72Å; W273-L296 HydrophobicContact CB-CD1 3.75Å; W273-L296 HydrophobicContact CD2-CB 3.94Å; W273-L296 HydrophobicContact CD2-CD1 4.1Å; W273-L296 HydrophobicContact CE3-CD1 4.4Å; W273-L296 HydrophobicContact CG-CB 3.93Å; W273-L296 HydrophobicContact CG-CD1 3.82Å; W273-L296 HydrophobicContact CZ2-CB 4.41Å; W273-E297 PolarHBondContact NE1-OE2 3.43Å; W273-Y300 HydrophobicContact CH2-CD2 4.2Å; W273-Y300 HydrophobicContact CH2-CG 4.18Å; W273-Y300 HydrophobicContact CZ2-CD1 4.19Å; W273-Y300 HydrophobicContact CZ2-CD2 4.34Å; W273-Y300 AromaticContact CZ2-CG 3.85Å; W273-Y300 HydrophobicContact CZ2-CG 3.85Å; W273-L323 HydrophobicContact CH2-CD1 3.55Å; W273-L323 HydrophobicContact CZ2-CD1 4.08Å; W273-L323 HydrophobicContact CZ3-CD1 3.99Å; W273-V340 HydrophobicContact CE3-CG1 3.65Å; W273-V340 HydrophobicContact CZ3-CG1 3.95Å; W273-R341 WeakPolarHBondContact CA-O 3.37Å; W273-R342 HydrophobicContact CD2-CB 3.97Å; W273-R342 HydrophobicContact CD2-CG 4.25Å; W273-R342 HydrophobicContact CE3-CB 3.95Å; W273-R342 HydrophobicContact CH2-CB 3.93Å; W273-R342 HydrophobicContact CH2-CG 4.4Å; W273-R342 HydrophobicContact CZ2-CB 3.91Å; W273-R342 HydrophobicContact CZ2-CG 3.89Å; W273-R342 HydrophobicContact CZ3-CB 3.94Å
274	F	93.4	Very high	85.3	Confident	15 Å²	15	81 Å²	81	7%	0.066	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	156.9	175.9	-70.7	-107.6	0	0	0	110.4	H272 W285 M286 P287 V340 R341 C343 F346 P357 I428	H272-F274 HydrophobicContact CB-CE2 4.08Å; H272-F274 AromaticContact CD2-CE2 3.71Å; H272-F274 WeakPolarHBondContact O-CD2 3.44Å; F274-W285 HydrophobicContact CB-CE3 3.89Å; F274-W285 HydrophobicContact CB-CZ3 4.41Å; F274-M286 CarbonylContact C-O 3.47Å; F274-M286 WeakPolarHBondContact CA-O 3.35Å; F274-M286 WeakPolarHBondContact CB-O 3.27Å; F274-M286 WeakPolarHBondContact CD1-O 3.3Å; F274-P287 HydrophobicContact CD1-CB 4.1Å; F274-P287 HydrophobicContact CE1-CB 3.73Å; F274-P287 HydrophobicContact CE1-CG 4.45Å; F274-P287 HydrophobicContact CZ-CB 4.09Å; F274-V340 CarbonylContact O-C 3.55Å; F274-V340 WeakPolarHBondContact O-CA 3.28Å; F274-R341 PolarHBondContact N-O 2.75Å; F274-R341 PolarHBondContact O-N 2.87Å; F274-C343 HydrophobicContact CD2-CB 3.68Å; F274-C343 HydrophobicContact CE2-CB 3.98Å; F274-F346 HydrophobicContact CD2-CE1 4.17Å; F274-F346 HydrophobicContact CD2-CZ 4.48Å; F274-F346 HydrophobicContact CE1-CE1 4.16Å; F274-F346 AromaticContact CE2-CE1 3.46Å; F274-F346 HydrophobicContact CE2-CE1 3.46Å; F274-F346 VanDerWaalsContact CE2-CE1 3.46Å; F274-F346 AromaticContact CE2-CZ 3.55Å; F274-F346 HydrophobicContact CE2-CZ 3.55Å; F274-F346 AromaticContact CZ-CE1 3.46Å; F274-F346 HydrophobicContact CZ-CE1 3.46Å; F274-F346 VanDerWaalsContact CZ-CE1 3.46Å; F274-F346 AromaticContact CZ-CZ 3.78Å; F274-F346 HydrophobicContact CZ-CZ 3.78Å; F274-P357 HydrophobicContact CB-CG 4.49Å; F274-P357 HydrophobicContact CG-CG 4.48Å; F274-I428 HydrophobicContact CE2-CD1 4Å; F274-I428 HydrophobicContact CZ-CD1 3.82Å
275	Y	93.6	Very high	86.7	Confident	31 Å²	31	78.8 Å²	78.8	12%	0.122	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153	168	65.5	-83.6	0	0	0	111.2	K277 M286 F288 E339	Y275-K277 HydrophobicContact CE2-CB 4.24Å; Y275-M286 HydrophobicContact CD1-CB 4.17Å; Y275-M286 HydrophobicContact CD2-CB 4.29Å; Y275-M286 HydrophobicContact CE1-CB 3.67Å; Y275-M286 HydrophobicContact CE2-CB 3.82Å; Y275-M286 HydrophobicContact CE2-CG 4.09Å; Y275-M286 HydrophobicContact CG-CB 4.45Å; Y275-M286 VanDerWaalsContact CZ-CB 3.48Å; Y275-M286 PolarHBondContact N-O 3.49Å; Y275-M286 PolarHBondContact O-N 2.9Å; Y275-F288 HydrophobicContact CD1-CD1 4.27Å; Y275-F288 HydrophobicContact CD1-CD2 4Å; Y275-F288 HydrophobicContact CD1-CE1 4.13Å; Y275-F288 AromaticContact CD1-CE2 3.88Å; Y275-F288 HydrophobicContact CD1-CE2 3.88Å; Y275-F288 HydrophobicContact CD1-CG 4.23Å; Y275-F288 AromaticContact CD1-CZ 3.96Å; Y275-F288 HydrophobicContact CD1-CZ 3.96Å; Y275-F288 HydrophobicContact CG-CE2 4.32Å; Y275-F288 HydrophobicContact CG-CZ 4.33Å; Y275-E339 CarbonylContact C-O 3.59Å; Y275-E339 VanDerWaalsContact CA-O 3.25Å; Y275-E339 WeakPolarHBondContact CA-O 3.42Å
276	C	92.1	Very high	87.2	Confident	12 Å²	12	73.7 Å²	73.7	8%	0.081	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112.2	176.5	-170.4	0	0	0	0	110	Q283 W285 A338 E339	C276-Q283 VanDerWaalsContact SG-CB 3.56Å; C276-W285 HydrophobicContact CB-CD2 4.23Å; C276-W285 HydrophobicContact CB-CE3 4.24Å; C276-W285 HydrophobicContact CB-CH2 3.79Å; C276-W285 HydrophobicContact CB-CZ2 3.74Å; C276-W285 HydrophobicContact CB-CZ3 4.04Å; C276-A338 WeakPolarHBondContact O-CB 3.29Å; C276-E339 HydrophobicContact CB-CB 4.12Å; C276-E339 PolarHBondContact N-O 3.49Å
277	K	87.8	Confident	87.4	Confident	60 Å²	60	72.7 Å²	72.7	26%	0.261	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126	167.1	-172.7	179.2	175.6	178.3	0	108.8	Y275 V279 L284 M286 E466	Y275-K277 HydrophobicContact CE2-CB 4.24Å; K277-V279 HydrophobicContact CD-CG2 4Å; K277-V279 HydrophobicContact CG-CG2 3.95Å; K277-L284 PolarHBondContact N-O 3.49Å; K277-L284 WeakPolarHBondContact O-CB 3.41Å; K277-L284 PolarHBondContact O-N 2.76Å; K277-M286 HydrophobicContact CB-CG 4.33Å; K277-E466 IonicContact NZ-OE1 2.67Å; K277-E466 PolarHBondContact NZ-OE1 3.33Å
278	E	83.6	Confident	87.7	Confident	108 Å²	108	65.6 Å²	65.6	51%	0.505	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.6	169.2	-168.4	160.8	140.8	0	0	110.2	Y281 K282	E278-Y281 WeakPolarHBondContact OE1-CA 3.49Å; E278-K282 WeakPolarHBondContact CA-O 3.13Å
279	V	77.5	Confident	87.9	Confident	51 Å²	51	61.8 Å²	61.8	31%	0.309	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	123.6	178.6	-177.7	0	0	0	0	107.8	K277 Y281 K282 L284	K277-V279 HydrophobicContact CD-CG2 4Å; K277-V279 HydrophobicContact CG-CG2 3.95Å; V279-Y281 VanDerWaalsContact C-N 3.27Å; V279-Y281 PolarHBondContact O-N 3.16Å; V279-K282 PolarHBondContact N-O 3.08Å; V279-K282 WeakPolarHBondContact O-CB 3.44Å; V279-K282 PolarHBondContact O-N 3.2Å; V279-L284 HydrophobicContact CB-CD1 3.83Å; V279-L284 HydrophobicContact CB-CG 4.36Å; V279-L284 HydrophobicContact CG1-CD1 4.47Å; V279-L284 HydrophobicContact CG2-CD1 3.9Å; V279-L284 HydrophobicContact CG2-CG 4.47Å
280	E	75.6	Confident	87.9	Confident	145 Å²	145	63.4 Å²	63.4	68%	0.678	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	42.1	-176.2	-57.3	175.6	174.8	0	0	113.8	K282	E280-K282 PolarHBondContact O-N 3.02Å; E280-K282 IonicContact OE2-NZ 3.32Å; E280-K282 PolarHBondContact OE2-NZ 3.4Å
281	Y	74.9	Confident	88.1	Confident	218 Å²	218	59.3 Å²	59.3	86%	0.855	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	21.7	-174.9	-47	-73.4	0	0	0	114.9	E278 V279	E278-Y281 WeakPolarHBondContact OE1-CA 3.49Å; V279-Y281 VanDerWaalsContact C-N 3.27Å; V279-Y281 PolarHBondContact O-N 3.16Å
282	K	81.5	Confident	88.2	Confident	106 Å²	106	58.3 Å²	58.3	46%	0.461	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.1	174.9	-59.3	156.1	-163.6	154.4	0	109.3	E278 V279 E280 L284	E278-K282 WeakPolarHBondContact CA-O 3.13Å; V279-K282 PolarHBondContact N-O 3.08Å; V279-K282 WeakPolarHBondContact O-CB 3.44Å; V279-K282 PolarHBondContact O-N 3.2Å; E280-K282 PolarHBondContact O-N 3.02Å; E280-K282 IonicContact OE2-NZ 3.32Å; E280-K282 PolarHBondContact OE2-NZ 3.4Å; K282-L284 HydrophobicContact CB-CD2 4.42Å; K282-L284 PolarHBondContact O-N 3.46Å
283	Q	84.8	Confident	88.3	Confident	130 Å²	130	57.5 Å²	57.5	61%	0.607	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	112.8	174.1	-73.7	-172.4	-12.6	0	0	110.7	C276	C276-Q283 VanDerWaalsContact SG-CB 3.56Å
284	L	87.8	Confident	88.2	Confident	38 Å²	38	62.6 Å²	62.6	20%	0.199	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.5	178	-56.9	-171.9	0	0	0	110.2	K277 V279 K282	K277-L284 PolarHBondContact N-O 3.49Å; K277-L284 WeakPolarHBondContact O-CB 3.41Å; K277-L284 PolarHBondContact O-N 2.76Å; V279-L284 HydrophobicContact CB-CD1 3.83Å; V279-L284 HydrophobicContact CB-CG 4.36Å; V279-L284 HydrophobicContact CG1-CD1 4.47Å; V279-L284 HydrophobicContact CG2-CD1 3.9Å; V279-L284 HydrophobicContact CG2-CG 4.47Å; K282-L284 HydrophobicContact CB-CD2 4.42Å; K282-L284 PolarHBondContact O-N 3.46Å
285	W	88.7	Confident	88.2	Confident	30 Å²	30	64.3 Å²	64.3	11%	0.114	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.2	177.3	-73.8	88.8	0	0	0	110.5	F274 C276 E339 R341 P357	F274-W285 HydrophobicContact CB-CE3 3.89Å; F274-W285 HydrophobicContact CB-CZ3 4.41Å; C276-W285 HydrophobicContact CB-CD2 4.23Å; C276-W285 HydrophobicContact CB-CE3 4.24Å; C276-W285 HydrophobicContact CB-CH2 3.79Å; C276-W285 HydrophobicContact CB-CZ2 3.74Å; C276-W285 HydrophobicContact CB-CZ3 4.04Å; W285-E339 HydrophobicContact CH2-CB 4.08Å; W285-E339 VanDerWaalsContact CH2-CD 3.49Å; W285-E339 HydrophobicContact CH2-CG 4.08Å; W285-E339 WeakPolarHBondContact CH2-OE1 3.43Å; W285-R341 HydrophobicContact CH2-CB 3.97Å; W285-R341 VanDerWaalsContact CH2-CZ 3.48Å; W285-R341 VanDerWaalsContact CZ2-NH2 3.26Å; W285-R341 HydrophobicContact CZ3-CB 3.63Å; W285-P357 VanDerWaalsContact CB-CD 3.48Å; W285-P357 HydrophobicContact CB-CG 3.87Å; W285-P357 HydrophobicContact CD2-CG 3.56Å; W285-P357 HydrophobicContact CE3-CG 3.68Å; W285-P357 HydrophobicContact CG-CG 3.64Å; W285-P357 HydrophobicContact CZ3-CG 4.49Å
286	M	89.3	Confident	88.3	Confident	67 Å²	67	62.9 Å²	62.9	33%	0.33	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.3	-178	-58.7	-58.3	-63.6	0	0	109.4	F274 Y275 K277	F274-M286 CarbonylContact C-O 3.47Å; F274-M286 WeakPolarHBondContact CA-O 3.35Å; F274-M286 WeakPolarHBondContact CB-O 3.27Å; F274-M286 WeakPolarHBondContact CD1-O 3.3Å; Y275-M286 HydrophobicContact CD1-CB 4.17Å; Y275-M286 HydrophobicContact CD2-CB 4.29Å; Y275-M286 HydrophobicContact CE1-CB 3.67Å; Y275-M286 HydrophobicContact CE2-CB 3.82Å; Y275-M286 HydrophobicContact CE2-CG 4.09Å; Y275-M286 HydrophobicContact CG-CB 4.45Å; Y275-M286 VanDerWaalsContact CZ-CB 3.48Å; Y275-M286 PolarHBondContact N-O 3.49Å; Y275-M286 PolarHBondContact O-N 2.9Å; K277-M286 HydrophobicContact CB-CG 4.33Å
287	P	91.3	Very high	88.4	Confident	37 Å²	37	63.6 Å²	63.6	24%	0.24	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	143.1	172.4	29.9	-33.4	0	0	0	110	F274 I435	F274-P287 HydrophobicContact CD1-CB 4.1Å; F274-P287 HydrophobicContact CE1-CB 3.73Å; F274-P287 HydrophobicContact CE1-CG 4.45Å; F274-P287 HydrophobicContact CZ-CB 4.09Å; P287-I435 HydrophobicContact CB-CG1 4.33Å; P287-I435 HydrophobicContact CB-CG2 4.39Å; P287-I435 HydrophobicContact CG-CG1 4.36Å
288	F	93.3	Very high	88.6	Confident	2 Å²	2	68 Å²	68	1%	0.009	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-66.5	162.5	158	-80.2	-84.3	0	0	0	109.9	H272 W273 Y275 D292 L296 T314 V321 V340 I435	H272-F288 PolarHBondContact CE1-O 2.62Å; H272-F288 PolarHBondContact NE2-O 3.02Å; W273-F288 HydrophobicContact CB-CB 4.41Å; W273-F288 HydrophobicContact CB-CD2 3.7Å; W273-F288 HydrophobicContact CB-CE2 4.38Å; W273-F288 HydrophobicContact CB-CG 4.37Å; W273-F288 PolarHBondContact O-N 2.72Å; Y275-F288 HydrophobicContact CD1-CD1 4.27Å; Y275-F288 HydrophobicContact CD1-CD2 4Å; Y275-F288 HydrophobicContact CD1-CE1 4.13Å; Y275-F288 AromaticContact CD1-CE2 3.88Å; Y275-F288 HydrophobicContact CD1-CE2 3.88Å; Y275-F288 HydrophobicContact CD1-CG 4.23Å; Y275-F288 AromaticContact CD1-CZ 3.96Å; Y275-F288 HydrophobicContact CD1-CZ 3.96Å; Y275-F288 HydrophobicContact CG-CE2 4.32Å; Y275-F288 HydrophobicContact CG-CZ 4.33Å; F288-D292 HydrophobicContact CB-CB 4.17Å; F288-D292 HydrophobicContact CD1-CB 4.08Å; F288-L296 HydrophobicContact CD1-CD1 4.26Å; F288-L296 HydrophobicContact CD2-CD1 4.07Å; F288-L296 HydrophobicContact CE1-CD1 4.39Å; F288-L296 HydrophobicContact CE2-CD1 4.19Å; F288-L296 HydrophobicContact CG-CD1 4.09Å; F288-L296 HydrophobicContact CZ-CD1 4.33Å; F288-T314 HydrophobicContact CD1-CG2 4.12Å; F288-T314 HydrophobicContact CE1-CG2 3.83Å; F288-V321 HydrophobicContact CE1-CG2 3.95Å; F288-V321 HydrophobicContact CZ-CG2 3.71Å; F288-V340 HydrophobicContact CE2-CG1 3.98Å; F288-V340 HydrophobicContact CE2-CG2 4.09Å; F288-V340 HydrophobicContact CZ-CG1 4.45Å; F288-V340 HydrophobicContact CZ-CG2 3.98Å; F288-I435 WeakPolarHBondContact O-CG2 3.35Å
289	S	92.5	Very high	89	Confident	10 Å²	10	64.5 Å²	64.5	7%	0.07	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-62.2	162	172.3	75.9	0	0	0	0	111.9	F291 D292 S293 P436 G438	S289-F291 VanDerWaalsContact C-N 3.3Å; S289-F291 PolarHBondContact O-N 2.66Å; S289-D292 WeakPolarHBondContact CB-OD2 3.46Å; S289-D292 PolarHBondContact O-N 3.2Å; S289-D292 WeakPolarHBondContact OG-CB 3.23Å; S289-D292 PolarHBondContact OG-N 2.87Å; S289-D292 PolarHBondContact OG-OD2 2.81Å; S289-S293 WeakPolarHBondContact O-CB 3.46Å; S289-S293 PolarHBondContact O-N 3.3Å; S289-P436 CarbonylContact C-O 3.44Å; S289-P436 WeakPolarHBondContact CA-O 3.41Å; S289-P436 VanDerWaalsContact CB-O 3.27Å; S289-P436 WeakPolarHBondContact CB-O 3.46Å; S289-G438 WeakPolarHBondContact OG-CA 3.37Å
290	V	91.4	Very high	89.6	Confident	58 Å²	58	65.1 Å²	65.1	35%	0.352	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-44.7	175.5	-178.3	0	0	0	0	110.2	L294 I435 P436 D437	V290-L294 HydrophobicContact CG1-CD1 3.91Å; V290-L294 HydrophobicContact CG1-CG 4.48Å; V290-L294 WeakPolarHBondContact O-CB 3.39Å; V290-L294 VanDerWaalsContact O-CG 3.22Å; V290-L294 WeakPolarHBondContact O-CG 3.24Å; V290-L294 PolarHBondContact O-N 2.62Å; V290-I435 HydrophobicContact CG2-CB 4.45Å; V290-I435 HydrophobicContact CG2-CG2 3.87Å; V290-P436 PolarHBondContact N-O 2.8Å; V290-D437 PolarHBondContact N-O 2.93Å
291	F	92.1	Very high	90.3	Very high	80 Å²	80	63.2 Å²	63.2	35%	0.351	30%	0.301	S	S	.	.	H	α-helix	trans	-60.4	-52.2	175.9	-179.5	-98.1	0	0	0	112.8	S289 S293 L294 N295 D437 P441	S289-F291 VanDerWaalsContact C-N 3.3Å; S289-F291 PolarHBondContact O-N 2.66Å; F291-S293 PolarHBondContact O-N 2.93Å; F291-L294 PolarHBondContact O-N 2.87Å; F291-N295 WeakPolarHBondContact O-CB 3.22Å; F291-N295 PolarHBondContact O-N 3.2Å; F291-D437 WeakPolarHBondContact CB-O 3.12Å; F291-D437 PolarHBondContact N-O 2.94Å; F291-P441 HydrophobicContact CE1-CG 4.01Å; F291-P441 HydrophobicContact CZ-CG 4.03Å
292	D	94.8	Very high	90.9	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.027	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-44.3	-178.8	-66.6	-54	0	0	0	111.1	F288 S289 L294 N295 L296 T314 D315	F288-D292 HydrophobicContact CB-CB 4.17Å; F288-D292 HydrophobicContact CD1-CB 4.08Å; S289-D292 WeakPolarHBondContact CB-OD2 3.46Å; S289-D292 PolarHBondContact O-N 3.2Å; S289-D292 WeakPolarHBondContact OG-CB 3.23Å; S289-D292 PolarHBondContact OG-N 2.87Å; S289-D292 PolarHBondContact OG-OD2 2.81Å; D292-L294 PolarHBondContact O-N 3Å; D292-N295 PolarHBondContact O-N 3.16Å; D292-L296 WeakPolarHBondContact O-CB 3.38Å; D292-L296 WeakPolarHBondContact O-CG 3.36Å; D292-L296 PolarHBondContact O-N 2.91Å; D292-T314 HydrophobicContact CB-CG2 4.02Å; D292-T314 VanDerWaalsContact OD1-CA 3.29Å; D292-T314 WeakPolarHBondContact OD1-CA 3.36Å; D292-D315 PolarHBondContact OD1-N 3.1Å; D292-D315 PolarHBondContact OD2-N 3Å
293	S	94.3	Very high	90.8	Very high	4 Å²	4	57 Å²	57	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-40.6	179.8	-173.8	0	0	0	0	112.4	H272 W273 S289 F291 E297	H272-S293 WeakPolarHBondContact CA-OG 3.09Å; H272-S293 WeakPolarHBondContact CE1-CB 3.46Å; H272-S293 PolarHBondContact CE1-OG 3.1Å; H272-S293 VanDerWaalsContact CG-OG 3.27Å; H272-S293 WeakPolarHBondContact ND1-CB 3.37Å; H272-S293 PolarHBondContact ND1-OG 3.38Å; W273-S293 PolarHBondContact N-OG 2.72Å; S289-S293 WeakPolarHBondContact O-CB 3.46Å; S289-S293 PolarHBondContact O-N 3.3Å; F291-S293 PolarHBondContact O-N 2.93Å; S293-E297 VanDerWaalsContact O-CB 3.29Å; S293-E297 WeakPolarHBondContact O-CB 3.44Å; S293-E297 PolarHBondContact O-N 2.8Å
294	L	92.9	Very high	90.5	Very high	108 Å²	108	54 Å²	54	57%	0.565	28%	0.282	S	S	*	.	H	α-helix	trans	-67.1	-41.1	174.4	-73.6	171.7	0	0	0	112.2	V290 F291 D292 E297 E298	V290-L294 HydrophobicContact CG1-CD1 3.91Å; V290-L294 HydrophobicContact CG1-CG 4.48Å; V290-L294 WeakPolarHBondContact O-CB 3.39Å; V290-L294 VanDerWaalsContact O-CG 3.22Å; V290-L294 WeakPolarHBondContact O-CG 3.24Å; V290-L294 PolarHBondContact O-N 2.62Å; F291-L294 PolarHBondContact O-N 2.87Å; D292-L294 PolarHBondContact O-N 3Å; L294-E297 PolarHBondContact O-N 3.22Å; L294-E298 WeakPolarHBondContact O-CB 3.11Å; L294-E298 PolarHBondContact O-N 2.88Å
295	N	93.2	Very high	89.8	Confident	51 Å²	51	58.3 Å²	58.3	27%	0.273	31%	0.312	S	S	.	.	H	α-helix	trans	-65.1	-45.2	177.4	-174.4	29.7	0	0	0	111.8	F291 D292 E297 I299	F291-N295 WeakPolarHBondContact O-CB 3.22Å; F291-N295 PolarHBondContact O-N 3.2Å; D292-N295 PolarHBondContact O-N 3.16Å; N295-E297 VanDerWaalsContact C-N 3.32Å; N295-E297 PolarHBondContact O-N 3.41Å; N295-I299 WeakPolarHBondContact O-CG1 3.48Å; N295-I299 PolarHBondContact O-N 3.41Å; N295-I299 VanDerWaalsContact O-N 3.15Å; N295-I299 WeakPolarHBondContact OD1-CD1 3.37Å
296	L	94.2	Very high	89.4	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-57.4	-44.2	172.2	-71.3	169.5	0	0	0	111.3	W273 F288 D292 Y300 L312 T314 V321 L323	W273-L296 HydrophobicContact CB-CD1 3.75Å; W273-L296 HydrophobicContact CD2-CB 3.94Å; W273-L296 HydrophobicContact CD2-CD1 4.1Å; W273-L296 HydrophobicContact CE3-CD1 4.4Å; W273-L296 HydrophobicContact CG-CB 3.93Å; W273-L296 HydrophobicContact CG-CD1 3.82Å; W273-L296 HydrophobicContact CZ2-CB 4.41Å; F288-L296 HydrophobicContact CD1-CD1 4.26Å; F288-L296 HydrophobicContact CD2-CD1 4.07Å; F288-L296 HydrophobicContact CE1-CD1 4.39Å; F288-L296 HydrophobicContact CE2-CD1 4.19Å; F288-L296 HydrophobicContact CG-CD1 4.09Å; F288-L296 HydrophobicContact CZ-CD1 4.33Å; D292-L296 WeakPolarHBondContact O-CB 3.38Å; D292-L296 WeakPolarHBondContact O-CG 3.36Å; D292-L296 PolarHBondContact O-N 2.91Å; L296-Y300 WeakPolarHBondContact O-CB 3.24Å; L296-Y300 PolarHBondContact O-N 2.85Å; L296-L312 HydrophobicContact CD2-CB 4.29Å; L296-L312 HydrophobicContact CD2-CD1 3.9Å; L296-T314 HydrophobicContact CD1-CG2 4.33Å; L296-T314 HydrophobicContact CD2-CG2 4.41Å; L296-T314 HydrophobicContact CG-CG2 4.43Å; L296-V321 HydrophobicContact CD2-CB 4.05Å; L296-V321 HydrophobicContact CD2-CG1 3.77Å; L296-V321 HydrophobicContact CD2-CG2 4.44Å; L296-L323 HydrophobicContact CD2-CD1 3.93Å
297	E	94	Very high	88.6	Confident	27 Å²	27	60.4 Å²	60.4	13%	0.126	33%	0.33	C	S	.	.	H	α-helix	trans	-71.7	-42.2	-179	-171.7	61.7	-161.9	0	0	113.2	P271 W273 S293 L294 N295 I299 Y300 N301 R342	P271-E297 HydrophobicContact CG-CG 3.97Å; P271-E297 VanDerWaalsContact CG-OE1 3.28Å; P271-E297 WeakPolarHBondContact CG-OE1 3.4Å; P271-E297 WeakPolarHBondContact CG-OE2 3.47Å; W273-E297 PolarHBondContact NE1-OE2 3.43Å; S293-E297 VanDerWaalsContact O-CB 3.29Å; S293-E297 WeakPolarHBondContact O-CB 3.44Å; S293-E297 PolarHBondContact O-N 2.8Å; L294-E297 PolarHBondContact O-N 3.22Å; N295-E297 VanDerWaalsContact C-N 3.32Å; N295-E297 PolarHBondContact O-N 3.41Å; E297-I299 VanDerWaalsContact C-N 3.33Å; E297-I299 PolarHBondContact O-N 3.42Å; E297-Y300 PolarHBondContact O-N 3.3Å; E297-N301 VanDerWaalsContact CD-ND2 3.28Å; E297-N301 PolarHBondContact O-N 3Å; E297-N301 PolarHBondContact O-ND2 2.79Å; E297-N301 PolarHBondContact OE1-ND2 3.2Å; E297-R342 IonicContact OE1-CZ 2.69Å; E297-R342 IonicContact OE1-NE 3.54Å; E297-R342 PolarHBondContact OE1-NE 3.14Å; E297-R342 IonicContact OE1-NH2 2.73Å; E297-R342 PolarHBondContact OE1-NH2 2.64Å; E297-R342 WeakPolarHBondContact OE2-CD 3.34Å; E297-R342 IonicContact OE2-CZ 3.53Å; E297-R342 IonicContact OE2-NE 3.17Å; E297-R342 PolarHBondContact OE2-NE 2.88Å; E297-R342 IonicContact OE2-NH2 2.64Å
298	E	93.1	Very high	87.7	Confident	151 Å²	151	66.6 Å²	66.6	71%	0.706	36%	0.355	S	S	*	.	H	α-helix	trans	-59.3	-46.4	176.3	-179.3	170.3	-176.9	0	0	110.6	L294 N301 S302	L294-E298 WeakPolarHBondContact O-CB 3.11Å; L294-E298 PolarHBondContact O-N 2.88Å; E298-N301 PolarHBondContact O-N 3.43Å; E298-S302 PolarHBondContact O-N 2.98Å
299	I	92.1	Very high	87	Confident	35 Å²	35	70 Å²	70	18%	0.179	38%	0.38	C	S	.	.	H	α-helix	trans	-72.9	-36.3	-178.3	-63.2	175.4	0	0	0	111.1	N295 E297 N301 S302 Q304 V310 L312 L323	N295-I299 WeakPolarHBondContact O-CG1 3.48Å; N295-I299 PolarHBondContact O-N 3.41Å; N295-I299 VanDerWaalsContact O-N 3.15Å; N295-I299 WeakPolarHBondContact OD1-CD1 3.37Å; E297-I299 VanDerWaalsContact C-N 3.33Å; E297-I299 PolarHBondContact O-N 3.42Å; I299-N301 VanDerWaalsContact C-N 3.32Å; I299-N301 PolarHBondContact O-N 3.41Å; I299-S302 WeakPolarHBondContact O-CB 3.33Å; I299-S302 PolarHBondContact O-N 3.17Å; I299-S302 VanDerWaalsContact O-N 3.09Å; I299-S302 PolarHBondContact O-OG 3.37Å; I299-Q304 HydrophobicContact CG2-CG 4.5Å; I299-V310 HydrophobicContact CG2-CG1 3.9Å; I299-L312 HydrophobicContact CB-CD1 3.98Å; I299-L312 HydrophobicContact CD1-CD1 3.91Å; I299-L312 HydrophobicContact CD1-CD2 3.45Å; I299-L312 VanDerWaalsContact CD1-CD2 3.45Å; I299-L312 HydrophobicContact CD1-CG 4.35Å; I299-L312 HydrophobicContact CG2-CD1 3.94Å; I299-L312 HydrophobicContact CG2-CD2 4.37Å; I299-L323 HydrophobicContact CG2-CD2 4.11Å
300	Y	90.4	Very high	86.9	Confident	64 Å²	64	70.3 Å²	70.3	25%	0.251	38%	0.381	S	S	.	.	H	α-helix	trans	-62.6	-34.6	173.8	177.9	-106.7	0	0	0	113.5	W273 L296 E297 S302 R326	W273-Y300 HydrophobicContact CH2-CD2 4.2Å; W273-Y300 HydrophobicContact CH2-CG 4.18Å; W273-Y300 HydrophobicContact CZ2-CD1 4.19Å; W273-Y300 HydrophobicContact CZ2-CD2 4.34Å; W273-Y300 AromaticContact CZ2-CG 3.85Å; W273-Y300 HydrophobicContact CZ2-CG 3.85Å; L296-Y300 WeakPolarHBondContact O-CB 3.24Å; L296-Y300 PolarHBondContact O-N 2.85Å; E297-Y300 PolarHBondContact O-N 3.3Å; Y300-S302 VanDerWaalsContact C-N 3.33Å; Y300-R326 VanDerWaalsContact CE2-NH2 3.34Å
301	N	89.6	Confident	86.9	Confident	106 Å²	106	70.2 Å²	70.2	57%	0.567	38%	0.381	S	S	*	.	H	α-helix	trans	-82.2	-9	174.5	-71.7	-80.1	0	0	0	113.5	E297 E298 I299	E297-N301 VanDerWaalsContact CD-ND2 3.28Å; E297-N301 PolarHBondContact O-N 3Å; E297-N301 PolarHBondContact O-ND2 2.79Å; E297-N301 PolarHBondContact OE1-ND2 3.2Å; E298-N301 PolarHBondContact O-N 3.43Å; I299-N301 VanDerWaalsContact C-N 3.32Å; I299-N301 PolarHBondContact O-N 3.41Å
302	S	87.8	Confident	86.9	Confident	43 Å²	43	67.5 Å²	67.5	30%	0.301	37%	0.369	S	S	.	.	S	Bend	trans	-81.7	152.5	-179.9	78.1	0	0	0	0	112.5	E298 I299 Y300 Q304	E298-S302 PolarHBondContact O-N 2.98Å; I299-S302 WeakPolarHBondContact O-CB 3.33Å; I299-S302 PolarHBondContact O-N 3.17Å; I299-S302 VanDerWaalsContact O-N 3.09Å; I299-S302 PolarHBondContact O-OG 3.37Å; Y300-S302 VanDerWaalsContact C-N 3.33Å; S302-Q304 PolarHBondContact O-N 2.79Å; S302-Q304 VanDerWaalsContact O-N 3.1Å; S302-Q304 PolarHBondContact OG-NE2 2.72Å
303	V	79.1	Confident	86.9	Confident	149 Å²	149	68.9 Å²	68.9	90%	0.903	39%	0.385	S	S	*	.			trans	-82.4	90.5	177.8	-177.9	0	0	0	0	109.5
304	Q	79.1	Confident	86.8	Confident	68 Å²	68	68.7 Å²	68.7	32%	0.318	38%	0.384	S	S	.	.			trans	-78.7	135.8	179.7	-69.5	-63.4	-25.5	0	0	112.1	I299 S302 D306 V310	I299-Q304 HydrophobicContact CG2-CG 4.5Å; S302-Q304 PolarHBondContact O-N 2.79Å; S302-Q304 VanDerWaalsContact O-N 3.1Å; S302-Q304 PolarHBondContact OG-NE2 2.72Å; Q304-D306 VanDerWaalsContact C-N 3.34Å; Q304-D306 PolarHBondContact O-N 3.28Å; Q304-V310 HydrophobicContact CB-CG2 4Å; Q304-V310 HydrophobicContact CG-CG2 3.9Å
305	P	72.9	Confident	86.8	Confident	129 Å²	129	65 Å²	65	84%	0.838	37%	0.365	S	S	*	.	S	Bend	trans	-68.9	-29.7	-177.9	-20.8	33.3	0	0	0	114.4
306	D	79.4	Confident	86.6	Confident	83 Å²	83	63 Å²	63	44%	0.444	36%	0.356	S	S	.	.			trans	-142.7	100.5	179.5	174.2	27.3	0	0	0	108.4	Q304 E308 S309 V310	Q304-D306 VanDerWaalsContact C-N 3.34Å; Q304-D306 PolarHBondContact O-N 3.28Å; D306-E308 PolarHBondContact O-N 2.94Å; D306-S309 VanDerWaalsContact CG-OG 3.3Å; D306-S309 PolarHBondContact O-OG 2.83Å; D306-S309 VanDerWaalsContact OD2-CB 3.31Å; D306-S309 WeakPolarHBondContact OD2-CB 3.45Å; D306-S309 PolarHBondContact OD2-OG 3.05Å; D306-V310 WeakPolarHBondContact O-CG2 3.45Å
307	P	73.9	Confident	86.5	Confident	58 Å²	58	63.8 Å²	63.8	38%	0.377	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-63.5	-37.5	-176.3	-25.8	36.1	0	0	0	113.8	S309 V310 Y324	P307-S309 PolarHBondContact O-N 3.49Å; P307-S309 VanDerWaalsContact O-N 3.17Å; P307-V310 PolarHBondContact O-N 3.22Å; P307-Y324 HydrophobicContact CB-CD1 4Å; P307-Y324 HydrophobicContact CB-CD2 3.87Å; P307-Y324 HydrophobicContact CB-CE1 4Å; P307-Y324 HydrophobicContact CB-CE2 3.85Å; P307-Y324 HydrophobicContact CB-CG 3.93Å; P307-Y324 WeakPolarHBondContact O-CD2 3.38Å
308	E	72.3	Confident	86.4	Confident	166 Å²	166	63.1 Å²	63.1	78%	0.776	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-71.8	-12.8	-169.8	-65.3	-179.9	-172.8	0	0	113.1	D306	D306-E308 PolarHBondContact O-N 2.94Å
309	S	78.6	Confident	86.5	Confident	74 Å²	74	56.8 Å²	56.8	52%	0.517	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-103.2	4.6	175.5	61.5	0	0	0	0	115.3	D306 P307 V311	D306-S309 VanDerWaalsContact CG-OG 3.3Å; D306-S309 PolarHBondContact O-OG 2.83Å; D306-S309 VanDerWaalsContact OD2-CB 3.31Å; D306-S309 WeakPolarHBondContact OD2-CB 3.45Å; D306-S309 PolarHBondContact OD2-OG 3.05Å; P307-S309 PolarHBondContact O-N 3.49Å; P307-S309 VanDerWaalsContact O-N 3.17Å; S309-V311 PolarHBondContact O-N 3.38Å
310	V	89.3	Confident	86.7	Confident	16 Å²	16	56.3 Å²	56.3	10%	0.097	33%	0.328	C	S	.	.			trans	-76.9	95.6	-179.8	-176	0	0	0	0	111.2	I299 Q304 D306 P307 L312 L323 Y324	I299-V310 HydrophobicContact CG2-CG1 3.9Å; Q304-V310 HydrophobicContact CB-CG2 4Å; Q304-V310 HydrophobicContact CG-CG2 3.9Å; D306-V310 WeakPolarHBondContact O-CG2 3.45Å; P307-V310 PolarHBondContact O-N 3.22Å; V310-L312 HydrophobicContact CG1-CD1 4.43Å; V310-L312 HydrophobicContact CG1-CD2 4.47Å; V310-L312 HydrophobicContact CG1-CG 4.27Å; V310-L323 HydrophobicContact CB-CB 4.41Å; V310-L323 HydrophobicContact CG1-CB 4.08Å; V310-L323 HydrophobicContact CG1-CD2 3.87Å; V310-L323 PolarHBondContact O-N 3.46Å; V310-Y324 HydrophobicContact CB-CD2 4.11Å; V310-Y324 HydrophobicContact CB-CE2 3.89Å; V310-Y324 HydrophobicContact CG1-CE2 4.38Å; V310-Y324 HydrophobicContact CG2-CD2 4.42Å; V310-Y324 HydrophobicContact CG2-CE2 3.88Å
311	V	92	Very high	86.9	Confident	57 Å²	57	53.3 Å²	53.3	35%	0.345	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.4	174.2	-176.3	0	0	0	0	109.9	S309 D320 V321 Y322	S309-V311 PolarHBondContact O-N 3.38Å; V311-D320 HydrophobicContact CG1-CB 3.66Å; V311-V321 WeakPolarHBondContact CA-O 3.42Å; V311-Y322 HydrophobicContact CG1-CE2 4.46Å; V311-Y322 HydrophobicContact CG2-CD1 3.71Å; V311-Y322 HydrophobicContact CG2-CE1 3.67Å; V311-Y322 HydrophobicContact CG2-CG 4.24Å
312	L	92.9	Very high	87.2	Confident	22 Å²	22	51.5 Å²	51.5	12%	0.115	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.8	-175.4	-62	175.3	0	0	0	111.3	L296 I299 V310 V321 L323	L296-L312 HydrophobicContact CD2-CB 4.29Å; L296-L312 HydrophobicContact CD2-CD1 3.9Å; I299-L312 HydrophobicContact CB-CD1 3.98Å; I299-L312 HydrophobicContact CD1-CD1 3.91Å; I299-L312 HydrophobicContact CD1-CD2 3.45Å; I299-L312 VanDerWaalsContact CD1-CD2 3.45Å; I299-L312 HydrophobicContact CD1-CG 4.35Å; I299-L312 HydrophobicContact CG2-CD1 3.94Å; I299-L312 HydrophobicContact CG2-CD2 4.37Å; V310-L312 HydrophobicContact CG1-CD1 4.43Å; V310-L312 HydrophobicContact CG1-CD2 4.47Å; V310-L312 HydrophobicContact CG1-CG 4.27Å; L312-V321 PolarHBondContact N-O 3.45Å; L312-V321 PolarHBondContact O-N 3.2Å; L312-L323 HydrophobicContact CD1-CD1 4.43Å; L312-L323 HydrophobicContact CD1-CD2 4.09Å
313	G	93.1	Very high	87.3	Confident	35 Å²	35	49.4 Å²	49.4	36%	0.361	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	124.8	174.4	0	0	0	0	0	111.2	Y319	G313-Y319 CarbonylContact C-O 3.57Å; G313-Y319 WeakPolarHBondContact CA-O 3.47Å
314	T	93.8	Very high	87.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	168.5	174.8	50.9	0	0	0	0	110.8	F288 D292 L296 G316 G317 R318 Y319 V321	F288-T314 HydrophobicContact CD1-CG2 4.12Å; F288-T314 HydrophobicContact CE1-CG2 3.83Å; D292-T314 HydrophobicContact CB-CG2 4.02Å; D292-T314 VanDerWaalsContact OD1-CA 3.29Å; D292-T314 WeakPolarHBondContact OD1-CA 3.36Å; L296-T314 HydrophobicContact CD1-CG2 4.33Å; L296-T314 HydrophobicContact CD2-CG2 4.41Å; L296-T314 HydrophobicContact CG-CG2 4.43Å; T314-G316 PolarHBondContact O-N 3.31Å; T314-G317 CarbonylContact O-C 3.56Å; T314-G317 WeakPolarHBondContact O-CA 3.29Å; T314-G317 PolarHBondContact O-N 2.85Å; T314-R318 PolarHBondContact O-N 3.04Å; T314-R318 VanDerWaalsContact O-N 3.11Å; T314-Y319 PolarHBondContact N-O 2.85Å; T314-Y319 PolarHBondContact O-N 3.37Å; T314-Y319 PolarHBondContact OG1-O 2.63Å; T314-V321 HydrophobicContact CG2-CG2 3.75Å
315	D	91.4	Very high	88.4	Confident	31 Å²	31	47.1 Å²	47.1	17%	0.166	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	56.6	49.1	179.6	-53.4	-106.1	0	0	0	111.6	D292 G317 R318 Y319 R328	D292-D315 PolarHBondContact OD1-N 3.1Å; D292-D315 PolarHBondContact OD2-N 3Å; D315-G317 PolarHBondContact O-N 2.78Å; D315-R318 WeakPolarHBondContact O-CG 3.49Å; D315-R318 PolarHBondContact O-N 2.81Å; D315-R318 PolarHBondContact O-NE 2.78Å; D315-R318 PolarHBondContact O-NH1 2.87Å; D315-R318 PolarHBondContact O-NH2 2.89Å; D315-Y319 HydrophobicContact CB-CD2 3.99Å; D315-R328 IonicContact OD1-NH2 2.64Å; D315-R328 PolarHBondContact OD1-NH2 2.77Å; D315-R328 IonicContact OD2-CZ 3.39Å; D315-R328 IonicContact OD2-NE 3.16Å; D315-R328 PolarHBondContact OD2-NE 3.4Å; D315-R328 IonicContact OD2-NH2 3.6Å; D315-R328 PolarHBondContact OD2-NH2 3Å
316	G	89.4	Confident	89.3	Confident	8 Å²	8	43 Å²	43	8%	0.082	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	68.4	14.3	-174.4	0	0	0	0	0	114.6	T314 R494	T314-G316 PolarHBondContact O-N 3.31Å; G316-R494 PolarHBondContact O-NH2 2.65Å
317	G	91.4	Very high	90	Very high	18 Å²	18	41.6 Å²	41.6	19%	0.186	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	91.7	14.2	-178.2	0	0	0	0	0	114.6	T314 D315 R569	T314-G317 CarbonylContact O-C 3.56Å; T314-G317 WeakPolarHBondContact O-CA 3.29Å; T314-G317 PolarHBondContact O-N 2.85Å; D315-G317 PolarHBondContact O-N 2.78Å; G317-R569 PolarHBondContact O-NH2 3.39Å
318	R	93.6	Very high	91.1	Very high	13 Å²	13	39.2 Å²	39.2	5%	0.049	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-24	177.2	-64.2	-173.1	-63	-90.7	-1.5	113.7	T314 D315 A331 Y332 W333 E439 R472 E496	T314-R318 PolarHBondContact O-N 3.04Å; T314-R318 VanDerWaalsContact O-N 3.11Å; D315-R318 WeakPolarHBondContact O-CG 3.49Å; D315-R318 PolarHBondContact O-N 2.81Å; D315-R318 PolarHBondContact O-NE 2.78Å; D315-R318 PolarHBondContact O-NH1 2.87Å; D315-R318 PolarHBondContact O-NH2 2.89Å; R318-A331 VanDerWaalsContact O-CB 3.3Å; R318-A331 WeakPolarHBondContact O-CB 3.32Å; R318-A331 PolarHBondContact O-N 2.95Å; R318-Y332 HydrophobicContact CB-CD2 4.38Å; R318-Y332 HydrophobicContact CG-CD2 4.35Å; R318-Y332 HydrophobicContact CG-CE2 4.3Å; R318-W333 HydrophobicContact CB-CH2 4.17Å; R318-E439 IonicContact CZ-OE1 3.08Å; R318-E439 IonicContact CZ-OE2 2.82Å; R318-E439 IonicContact NH1-OE1 2.69Å; R318-E439 PolarHBondContact NH1-OE1 2.81Å; R318-E439 IonicContact NH1-OE2 3.93Å; R318-E439 PolarHBondContact NH1-OE2 3.39Å; R318-E439 IonicContact NH2-OE1 2.79Å; R318-E439 PolarHBondContact NH2-OE1 2.86Å; R318-E439 IonicContact NH2-OE2 2.63Å; R318-R472 VanDerWaalsContact NH1-CD 3.31Å; R318-E496 IonicContact CZ-OE2 3.59Å; R318-E496 IonicContact NH1-OE1 3.39Å; R318-E496 IonicContact NH1-OE2 2.7Å; R318-E496 PolarHBondContact NH1-OE2 3.34Å
319	Y	94.8	Very high	92.1	Very high	17 Å²	17	34.1 Å²	34.1	7%	0.067	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.3	174.5	-74	-89.3	0	0	0	110.8	G313 T314 D315 R328 K329 A330 W333 E335	G313-Y319 CarbonylContact C-O 3.57Å; G313-Y319 WeakPolarHBondContact CA-O 3.47Å; T314-Y319 PolarHBondContact N-O 2.85Å; T314-Y319 PolarHBondContact O-N 3.37Å; T314-Y319 PolarHBondContact OG1-O 2.63Å; D315-Y319 HydrophobicContact CB-CD2 3.99Å; Y319-R328 HydrophobicContact CD1-CG 3.83Å; Y319-R328 VanDerWaalsContact CD2-CZ 3.42Å; Y319-R328 VanDerWaalsContact CE1-NH1 3.27Å; Y319-R328 VanDerWaalsContact CE2-NH2 3.34Å; Y319-R328 HydrophobicContact CG-CG 4.14Å; Y319-K329 CarbonylContact C-O 3.46Å; Y319-K329 WeakPolarHBondContact CA-O 3.39Å; Y319-K329 WeakPolarHBondContact CD1-O 3.39Å; Y319-A330 HydrophobicContact CD1-CB 4.13Å; Y319-A330 HydrophobicContact CE1-CB 3.83Å; Y319-W333 HydrophobicContact CE2-CH2 4.45Å; Y319-W333 AromaticContact CE2-CZ2 3.85Å; Y319-W333 HydrophobicContact CE2-CZ2 3.85Å; Y319-W333 AromaticContact CZ-CZ2 3.72Å; Y319-E335 VanDerWaalsContact CE1-OE2 3.26Å; Y319-E335 WeakPolarHBondContact CE1-OE2 3.41Å; Y319-E335 PolarHBondContact OH-OE1 2.85Å; Y319-E335 PolarHBondContact OH-OE2 2.7Å
320	D	95.4	Very high	92.9	Very high	26 Å²	26	31.5 Å²	31.5	14%	0.139	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.6	174.9	-79.1	-23.9	0	0	0	109.9	V311 Y322 R328 K329 R569	V311-D320 HydrophobicContact CG1-CB 3.66Å; D320-Y322 HydrophobicContact CB-CE2 4.26Å; D320-R328 WeakPolarHBondContact O-CA 3.47Å; D320-K329 PolarHBondContact N-O 3.41Å; D320-K329 PolarHBondContact O-N 3Å; D320-R569 IonicContact OD1-CZ 3.23Å; D320-R569 IonicContact OD1-NH1 3.5Å; D320-R569 PolarHBondContact OD1-NH1 2.95Å; D320-R569 IonicContact OD1-NH2 3.84Å; D320-R569 PolarHBondContact OD1-NH2 2.79Å; D320-R569 IonicContact OD2-CZ 3.37Å; D320-R569 IonicContact OD2-NH1 2.67Å; D320-R569 PolarHBondContact OD2-NH1 2.86Å; D320-R569 IonicContact OD2-NH2 3.03Å
321	V	96	Very high	93.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115	173.7	176.9	0	0	0	0	109.4	F288 L296 V311 L312 T314 L323 R328 V340	F288-V321 HydrophobicContact CE1-CG2 3.95Å; F288-V321 HydrophobicContact CZ-CG2 3.71Å; L296-V321 HydrophobicContact CD2-CB 4.05Å; L296-V321 HydrophobicContact CD2-CG1 3.77Å; L296-V321 HydrophobicContact CD2-CG2 4.44Å; V311-V321 WeakPolarHBondContact CA-O 3.42Å; L312-V321 PolarHBondContact N-O 3.45Å; L312-V321 PolarHBondContact O-N 3.2Å; T314-V321 HydrophobicContact CG2-CG2 3.75Å; V321-L323 PolarHBondContact O-N 3.15Å; V321-R328 HydrophobicContact CG2-CB 4.16Å; V321-R328 HydrophobicContact CG2-CG 4.15Å; V321-V340 HydrophobicContact CG1-CG1 4.14Å; V321-V340 HydrophobicContact CG1-CG2 4.23Å; V321-V340 HydrophobicContact CG2-CG2 4.41Å
322	Y	94.3	Very high	93.2	Very high	68 Å²	68	29.3 Å²	29.3	27%	0.267	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	97.8	169.8	-67.4	-105.4	0	0	0	106.9	V311 D320 Y324 D325 R326 I327 K329	V311-Y322 HydrophobicContact CG1-CE2 4.46Å; V311-Y322 HydrophobicContact CG2-CD1 3.71Å; V311-Y322 HydrophobicContact CG2-CE1 3.67Å; V311-Y322 HydrophobicContact CG2-CG 4.24Å; D320-Y322 HydrophobicContact CB-CE2 4.26Å; Y322-Y324 PolarHBondContact O-N 3.17Å; Y322-D325 PolarHBondContact O-N 3.4Å; Y322-R326 PolarHBondContact O-N 3.45Å; Y322-R326 VanDerWaalsContact O-N 3.08Å; Y322-I327 PolarHBondContact N-O 2.92Å; Y322-I327 PolarHBondContact O-N 3.46Å; Y322-K329 HydrophobicContact CD2-CD 4.23Å; Y322-K329 HydrophobicContact CD2-CG 4.12Å; Y322-K329 HydrophobicContact CE2-CB 4.28Å; Y322-K329 HydrophobicContact CE2-CD 3.65Å; Y322-K329 HydrophobicContact CE2-CG 3.83Å; Y322-K329 VanDerWaalsContact CZ-NZ 3.28Å
323	L	91.6	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-46.6	-158.7	-176.1	63	0	0	0	112.4	W273 L296 I299 V310 L312 V321 R326	W273-L323 HydrophobicContact CH2-CD1 3.55Å; W273-L323 HydrophobicContact CZ2-CD1 4.08Å; W273-L323 HydrophobicContact CZ3-CD1 3.99Å; L296-L323 HydrophobicContact CD2-CD1 3.93Å; I299-L323 HydrophobicContact CG2-CD2 4.11Å; V310-L323 HydrophobicContact CB-CB 4.41Å; V310-L323 HydrophobicContact CG1-CB 4.08Å; V310-L323 HydrophobicContact CG1-CD2 3.87Å; V310-L323 PolarHBondContact O-N 3.46Å; L312-L323 HydrophobicContact CD1-CD1 4.43Å; L312-L323 HydrophobicContact CD1-CD2 4.09Å; V321-L323 PolarHBondContact O-N 3.15Å; L323-R326 PolarHBondContact O-NH1 3.05Å
324	Y	88.9	Confident	92.9	Very high	79 Å²	79	35.7 Å²	35.7	31%	0.31	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-28.7	-176.8	-64.3	-93	0	0	0	113.1	P307 V310 Y322 R326	P307-Y324 HydrophobicContact CB-CD1 4Å; P307-Y324 HydrophobicContact CB-CD2 3.87Å; P307-Y324 HydrophobicContact CB-CE1 4Å; P307-Y324 HydrophobicContact CB-CE2 3.85Å; P307-Y324 HydrophobicContact CB-CG 3.93Å; P307-Y324 WeakPolarHBondContact O-CD2 3.38Å; V310-Y324 HydrophobicContact CB-CD2 4.11Å; V310-Y324 HydrophobicContact CB-CE2 3.89Å; V310-Y324 HydrophobicContact CG1-CE2 4.38Å; V310-Y324 HydrophobicContact CG2-CD2 4.42Å; V310-Y324 HydrophobicContact CG2-CE2 3.88Å; Y322-Y324 PolarHBondContact O-N 3.17Å; Y324-R326 PolarHBondContact O-N 3.09Å
325	D	91	Very high	92.7	Very high	90 Å²	90	39.1 Å²	39.1	48%	0.481	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.8	170.6	-70.4	-16.6	0	0	0	112.8	Y322 I327	Y322-D325 PolarHBondContact O-N 3.4Å; D325-I327 HydrophobicContact CB-CB 4.36Å; D325-I327 HydrophobicContact CB-CD1 4.31Å; D325-I327 HydrophobicContact CB-CG1 4.38Å
326	R	92.9	Very high	92.6	Very high	41 Å²	41	45.9 Å²	45.9	16%	0.155	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	41.8	-174.2	-67	-62.7	-166	-98.4	2.1	112.7	Y300 Y322 L323 Y324 V340 E360	Y300-R326 VanDerWaalsContact CE2-NH2 3.34Å; Y322-R326 PolarHBondContact O-N 3.45Å; Y322-R326 VanDerWaalsContact O-N 3.08Å; L323-R326 PolarHBondContact O-NH1 3.05Å; Y324-R326 PolarHBondContact O-N 3.09Å; R326-V340 WeakPolarHBondContact CB-O 3.37Å; R326-V340 WeakPolarHBondContact CD-O 3.48Å; R326-V340 PolarHBondContact O-N 2.99Å; R326-E360 IonicContact CZ-OE1 2.72Å; R326-E360 IonicContact CZ-OE2 3.82Å; R326-E360 IonicContact NE-OE1 3.78Å; R326-E360 PolarHBondContact NE-OE1 2.99Å; R326-E360 IonicContact NE-OE2 3.37Å; R326-E360 PolarHBondContact NE-OE2 3.41Å; R326-E360 IonicContact NH2-OE1 3.2Å; R326-E360 IonicContact NH2-OE2 2.76Å; R326-E360 PolarHBondContact NH2-OE2 3.41Å
327	I	94.4	Very high	92.8	Very high	55 Å²	55	49.4 Å²	49.4	28%	0.282	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133	-177.2	-68.2	171.9	0	0	0	111.7	Y322 D325 K329 P337 A338	Y322-I327 PolarHBondContact N-O 2.92Å; Y322-I327 PolarHBondContact O-N 3.46Å; D325-I327 HydrophobicContact CB-CB 4.36Å; D325-I327 HydrophobicContact CB-CD1 4.31Å; D325-I327 HydrophobicContact CB-CG1 4.38Å; I327-K329 HydrophobicContact CG2-CG 3.91Å; I327-P337 HydrophobicContact CG2-CB 3.54Å; I327-A338 CarbonylContact C-O 3.28Å; I327-A338 WeakPolarHBondContact CA-O 3.15Å
328	R	95.3	Very high	92.9	Very high	7 Å²	7	49.1 Å²	49.1	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133	169.4	179.6	-178.9	-175.6	-113.2	21	109.5	D315 Y319 D320 V321 P337 A338 V340	D315-R328 IonicContact OD1-NH2 2.64Å; D315-R328 PolarHBondContact OD1-NH2 2.77Å; D315-R328 IonicContact OD2-CZ 3.39Å; D315-R328 IonicContact OD2-NE 3.16Å; D315-R328 PolarHBondContact OD2-NE 3.4Å; D315-R328 IonicContact OD2-NH2 3.6Å; D315-R328 PolarHBondContact OD2-NH2 3Å; Y319-R328 HydrophobicContact CD1-CG 3.83Å; Y319-R328 VanDerWaalsContact CD2-CZ 3.42Å; Y319-R328 VanDerWaalsContact CE1-NH1 3.27Å; Y319-R328 VanDerWaalsContact CE2-NH2 3.34Å; Y319-R328 HydrophobicContact CG-CG 4.14Å; D320-R328 WeakPolarHBondContact O-CA 3.47Å; V321-R328 HydrophobicContact CG2-CB 4.16Å; V321-R328 HydrophobicContact CG2-CG 4.15Å; R328-P337 CarbonylContact O-C 3.53Å; R328-P337 WeakPolarHBondContact O-CA 3.48Å; R328-A338 HydrophobicContact CB-CB 4.28Å; R328-A338 PolarHBondContact N-O 3.02Å; R328-A338 PolarHBondContact O-N 3.42Å; R328-V340 HydrophobicContact CB-CG2 3.51Å
329	K	95.3	Very high	93	Very high	60 Å²	60	52.3 Å²	52.3	26%	0.261	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.4	175.9	-52.6	-168	-175.5	96.4	0	109.9	Y319 D320 Y322 I327 P337	Y319-K329 CarbonylContact C-O 3.46Å; Y319-K329 WeakPolarHBondContact CA-O 3.39Å; Y319-K329 WeakPolarHBondContact CD1-O 3.39Å; D320-K329 PolarHBondContact N-O 3.41Å; D320-K329 PolarHBondContact O-N 3Å; Y322-K329 HydrophobicContact CD2-CD 4.23Å; Y322-K329 HydrophobicContact CD2-CG 4.12Å; Y322-K329 HydrophobicContact CE2-CB 4.28Å; Y322-K329 HydrophobicContact CE2-CD 3.65Å; Y322-K329 HydrophobicContact CE2-CG 3.83Å; Y322-K329 VanDerWaalsContact CZ-NZ 3.28Å; I327-K329 HydrophobicContact CG2-CG 3.91Å; K329-P337 HydrophobicContact CG-CB 4.2Å; K329-P337 HydrophobicContact CG-CG 4.46Å
330	A	95.1	Very high	93	Very high	19 Å²	19	51.6 Å²	51.6	16%	0.157	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	137.7	169.6	0	0	0	0	0	110.1	Y319 W333 E335	Y319-A330 HydrophobicContact CD1-CB 4.13Å; Y319-A330 HydrophobicContact CE1-CB 3.83Å; A330-W333 HydrophobicContact CB-CD2 4.26Å; A330-W333 HydrophobicContact CB-CG 4.09Å; A330-W333 VanDerWaalsContact CB-NE1 3.32Å; A330-W333 VanDerWaalsContact CB-O 3.32Å; A330-W333 WeakPolarHBondContact CB-O 3.4Å; A330-E335 HydrophobicContact CB-CB 3.75Å
331	A	94	Very high	92.9	Very high	19 Å²	19	51.8 Å²	51.8	16%	0.157	25%	0.251	C	S	.	.	S	Bend	trans	-88.7	-35.6	-179.6	0	0	0	0	0	112.5	R318 L565	R318-A331 VanDerWaalsContact O-CB 3.3Å; R318-A331 WeakPolarHBondContact O-CB 3.32Å; R318-A331 PolarHBondContact O-N 2.95Å; A331-L565 WeakPolarHBondContact O-CD2 3.18Å
332	Y	93.4	Very high	92.8	Very high	7 Å²	7	54 Å²	54	3%	0.027	26%	0.26	C	S	.	.	S	Bend	trans	-98.8	-31.3	-172.1	-66.5	-72.7	0	0	0	114	R318 L498 R561 L562 L565 F566 N570	R318-Y332 HydrophobicContact CB-CD2 4.38Å; R318-Y332 HydrophobicContact CG-CD2 4.35Å; R318-Y332 HydrophobicContact CG-CE2 4.3Å; Y332-L498 HydrophobicContact CD1-CD1 3.88Å; Y332-L498 HydrophobicContact CD1-CD2 4.41Å; Y332-L498 HydrophobicContact CD2-CD2 3.8Å; Y332-L498 HydrophobicContact CE1-CD1 3.97Å; Y332-L498 HydrophobicContact CE2-CD2 4.11Å; Y332-L498 HydrophobicContact CG-CD1 4.26Å; Y332-L498 HydrophobicContact CG-CD2 3.97Å; Y332-R561 PolarHBondContact O-NH2 3.03Å; Y332-L562 HydrophobicContact CD1-CD2 4.24Å; Y332-L562 WeakPolarHBondContact O-CD2 3.31Å; Y332-L565 HydrophobicContact CD1-CD2 4.01Å; Y332-L565 HydrophobicContact CD1-CG 4.12Å; Y332-L565 HydrophobicContact CE1-CD2 4.49Å; Y332-L565 HydrophobicContact CE1-CG 4.1Å; Y332-F566 HydrophobicContact CE1-CB 4.06Å; Y332-F566 HydrophobicContact CE1-CD2 4.31Å; Y332-F566 WeakPolarHBondContact OH-CD2 3.32Å; Y332-N570 PolarHBondContact OH-ND2 2.86Å
333	W	91.8	Very high	92.6	Very high	14 Å²	14	50.8 Å²	50.8	5%	0.053	25%	0.248	C	C	.	.	S	Bend	trans	-122.9	169	-179.3	54.8	85.1	0	0	0	111.4	R318 Y319 A330 E335 I465 P499	R318-W333 HydrophobicContact CB-CH2 4.17Å; Y319-W333 HydrophobicContact CE2-CH2 4.45Å; Y319-W333 AromaticContact CE2-CZ2 3.85Å; Y319-W333 HydrophobicContact CE2-CZ2 3.85Å; Y319-W333 AromaticContact CZ-CZ2 3.72Å; A330-W333 HydrophobicContact CB-CD2 4.26Å; A330-W333 HydrophobicContact CB-CG 4.09Å; A330-W333 VanDerWaalsContact CB-NE1 3.32Å; A330-W333 VanDerWaalsContact CB-O 3.32Å; A330-W333 WeakPolarHBondContact CB-O 3.4Å; W333-E335 PolarHBondContact NE1-OE2 3.28Å; W333-I465 HydrophobicContact CB-CD1 4.26Å; W333-I465 VanDerWaalsContact CD1-CD1 3.48Å; W333-I465 HydrophobicContact CD2-CD1 4.16Å; W333-I465 HydrophobicContact CD2-CG1 4.18Å; W333-I465 HydrophobicContact CD2-CG2 4.32Å; W333-I465 HydrophobicContact CG-CD1 3.72Å; W333-I465 HydrophobicContact CG-CG1 4.19Å; W333-I465 HydrophobicContact CH2-CG2 4.2Å; W333-I465 HydrophobicContact CZ2-CG2 3.66Å; W333-P499 HydrophobicContact CE3-CG 3.96Å; W333-P499 HydrophobicContact CZ3-CG 4.09Å
334	E	88.1	Confident	92.6	Very high	178 Å²	178	51.7 Å²	51.7	83%	0.832	25%	0.253	S	S	*	.			trans	-84.7	123.2	173.9	-63.5	179.3	163.8	0	0	109.6
335	E	87.8	Confident	92.8	Very high	71 Å²	71	48 Å²	48	33%	0.332	24%	0.238	S	C	.	.			trans	-145.9	151.1	178.7	-166.9	177.1	149.7	0	0	108.3	Y319 A330 W333	Y319-E335 VanDerWaalsContact CE1-OE2 3.26Å; Y319-E335 WeakPolarHBondContact CE1-OE2 3.41Å; Y319-E335 PolarHBondContact OH-OE1 2.85Å; Y319-E335 PolarHBondContact OH-OE2 2.7Å; A330-E335 HydrophobicContact CB-CB 3.75Å; W333-E335 PolarHBondContact NE1-OE2 3.28Å
336	E	89.9	Confident	92.8	Very high	173 Å²	173	43.8 Å²	43.8	81%	0.808	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-68.9	139.2	176.5	-64.5	-159.5	152.9	0	0	111.1	A338	E336-A338 PolarHBondContact O-N 3.48Å
337	P	93.9	Very high	92.6	Very high	82 Å²	82	44 Å²	44	53%	0.532	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-65.7	122	-176.7	-21.8	33.8	0	0	0	113.1	I327 R328 K329	I327-P337 HydrophobicContact CG2-CB 3.54Å; R328-P337 CarbonylContact O-C 3.53Å; R328-P337 WeakPolarHBondContact O-CA 3.48Å; K329-P337 HydrophobicContact CG-CB 4.2Å; K329-P337 HydrophobicContact CG-CG 4.46Å
338	A	93.7	Very high	92.2	Very high	13 Å²	13	44.9 Å²	44.9	11%	0.107	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	139.9	-178.5	0	0	0	0	0	112.5	C276 I327 R328 E336	C276-A338 WeakPolarHBondContact O-CB 3.29Å; I327-A338 CarbonylContact C-O 3.28Å; I327-A338 WeakPolarHBondContact CA-O 3.15Å; R328-A338 HydrophobicContact CB-CB 4.28Å; R328-A338 PolarHBondContact N-O 3.02Å; R328-A338 PolarHBondContact O-N 3.42Å; E336-A338 PolarHBondContact O-N 3.48Å
339	E	94.5	Very high	91.3	Very high	80 Å²	80	45.2 Å²	45.2	37%	0.374	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.4	170.5	-163.5	-160.1	140.3	0	0	109.9	Y275 C276 W285 R341	Y275-E339 CarbonylContact C-O 3.59Å; Y275-E339 VanDerWaalsContact CA-O 3.25Å; Y275-E339 WeakPolarHBondContact CA-O 3.42Å; C276-E339 HydrophobicContact CB-CB 4.12Å; C276-E339 PolarHBondContact N-O 3.49Å; W285-E339 HydrophobicContact CH2-CB 4.08Å; W285-E339 VanDerWaalsContact CH2-CD 3.49Å; W285-E339 HydrophobicContact CH2-CG 4.08Å; W285-E339 WeakPolarHBondContact CH2-OE1 3.43Å; E339-R341 VanDerWaalsContact CD-NH2 3.26Å; E339-R341 IonicContact OE1-CZ 2.91Å; E339-R341 IonicContact OE1-NE 3.43Å; E339-R341 PolarHBondContact OE1-NE 2.76Å; E339-R341 IonicContact OE1-NH2 3.98Å; E339-R341 PolarHBondContact OE1-NH2 2.85Å; E339-R341 IonicContact OE2-NH2 3.28Å; E339-R341 PolarHBondContact OE2-NH2 3.33Å
340	V	95.2	Very high	90.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.8	173.3	169.1	0	0	0	0	109.2	W273 F274 F288 V321 R326 R328	W273-V340 HydrophobicContact CE3-CG1 3.65Å; W273-V340 HydrophobicContact CZ3-CG1 3.95Å; F274-V340 CarbonylContact O-C 3.55Å; F274-V340 WeakPolarHBondContact O-CA 3.28Å; F288-V340 HydrophobicContact CE2-CG1 3.98Å; F288-V340 HydrophobicContact CE2-CG2 4.09Å; F288-V340 HydrophobicContact CZ-CG1 4.45Å; F288-V340 HydrophobicContact CZ-CG2 3.98Å; V321-V340 HydrophobicContact CG1-CG1 4.14Å; V321-V340 HydrophobicContact CG1-CG2 4.23Å; V321-V340 HydrophobicContact CG2-CG2 4.41Å; R326-V340 WeakPolarHBondContact CB-O 3.37Å; R326-V340 WeakPolarHBondContact CD-O 3.48Å; R326-V340 PolarHBondContact O-N 2.99Å; R328-V340 HydrophobicContact CB-CG2 3.51Å
341	R	93.4	Very high	88.8	Confident	30 Å²	30	52.2 Å²	52.2	11%	0.113	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	136.7	-175.4	-163.1	-179.2	-73.1	176.1	1.4	111.6	W273 F274 W285 E339 C343 P357 Y358 E360	W273-R341 WeakPolarHBondContact CA-O 3.37Å; F274-R341 PolarHBondContact N-O 2.75Å; F274-R341 PolarHBondContact O-N 2.87Å; W285-R341 HydrophobicContact CH2-CB 3.97Å; W285-R341 VanDerWaalsContact CH2-CZ 3.48Å; W285-R341 VanDerWaalsContact CZ2-NH2 3.26Å; W285-R341 HydrophobicContact CZ3-CB 3.63Å; E339-R341 VanDerWaalsContact CD-NH2 3.26Å; E339-R341 IonicContact OE1-CZ 2.91Å; E339-R341 IonicContact OE1-NE 3.43Å; E339-R341 PolarHBondContact OE1-NE 2.76Å; E339-R341 IonicContact OE1-NH2 3.98Å; E339-R341 PolarHBondContact OE1-NH2 2.85Å; E339-R341 IonicContact OE2-NH2 3.28Å; E339-R341 PolarHBondContact OE2-NH2 3.33Å; R341-C343 PolarHBondContact O-SG 2.76Å; R341-C343 VanDerWaalsContact O-SG 3.39Å; R341-P357 PolarHBondContact NH1-O 3.4Å; R341-P357 VanDerWaalsContact NH1-O 3.11Å; R341-Y358 VanDerWaalsContact CD-O 3.32Å; R341-Y358 WeakPolarHBondContact CD-O 3.38Å; R341-E360 HydrophobicContact CG-CG 4.27Å
342	R	93.5	Very high	87.3	Confident	47 Å²	47	53 Å²	53	18%	0.177	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.4	173.4	-176.2	-179.8	172.9	-106.3	8	109.6	P271 W273 E297 E360	P271-R342 HydrophobicContact CB-CG 3.86Å; W273-R342 HydrophobicContact CD2-CB 3.97Å; W273-R342 HydrophobicContact CD2-CG 4.25Å; W273-R342 HydrophobicContact CE3-CB 3.95Å; W273-R342 HydrophobicContact CH2-CB 3.93Å; W273-R342 HydrophobicContact CH2-CG 4.4Å; W273-R342 HydrophobicContact CZ2-CB 3.91Å; W273-R342 HydrophobicContact CZ2-CG 3.89Å; W273-R342 HydrophobicContact CZ3-CB 3.94Å; E297-R342 IonicContact OE1-CZ 2.69Å; E297-R342 IonicContact OE1-NE 3.54Å; E297-R342 PolarHBondContact OE1-NE 3.14Å; E297-R342 IonicContact OE1-NH2 2.73Å; E297-R342 PolarHBondContact OE1-NH2 2.64Å; E297-R342 WeakPolarHBondContact OE2-CD 3.34Å; E297-R342 IonicContact OE2-CZ 3.53Å; E297-R342 IonicContact OE2-NE 3.17Å; E297-R342 PolarHBondContact OE2-NE 2.88Å; E297-R342 IonicContact OE2-NH2 2.64Å; R342-E360 HydrophobicContact CB-CG 4.1Å; R342-E360 PolarHBondContact N-OE1 2.88Å; R342-E360 WeakPolarHBondContact O-CG 3.17Å
343	C	90.4	Very high	86.1	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.1	-162.9	-56.3	0	0	0	0	112.7	P271 H272 F274 R341 F346 P357	P271-C343 WeakPolarHBondContact CA-O 3.38Å; H272-C343 PolarHBondContact N-O 3.42Å; H272-C343 WeakPolarHBondContact O-CB 3.44Å; H272-C343 PolarHBondContact O-N 2.85Å; F274-C343 HydrophobicContact CD2-CB 3.68Å; F274-C343 HydrophobicContact CE2-CB 3.98Å; R341-C343 PolarHBondContact O-SG 2.76Å; R341-C343 VanDerWaalsContact O-SG 3.39Å; C343-F346 HydrophobicContact CB-CE1 3.88Å; C343-F346 HydrophobicContact CB-CZ 3.81Å; C343-P357 HydrophobicContact CB-CB 3.84Å; C343-P357 WeakPolarHBondContact SG-CB 3.27Å
344	T	92.9	Very high	85.3	Confident	19 Å²	19	60 Å²	60	12%	0.117	31%	0.308	C	S	.	.	S	Bend	trans	-122.6	-12.2	173.9	51	0	0	0	0	113.3	V269 P271 S363 G427	V269-T344 HydrophobicContact CG1-CG2 3.84Å; V269-T344 HydrophobicContact CG2-CG2 4.18Å; P271-T344 HydrophobicContact CB-CG2 3.71Å; T344-S363 WeakPolarHBondContact OG1-CB 3.17Å; T344-G427 PolarHBondContact O-N 2.59Å
345	W	92.4	Very high	84.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.7	-180	-74.9	85.7	0	0	0	111.5	Y358 L366 E367 Y370 M393 I399 V424 K425 R426	W345-Y358 HydrophobicContact CB-CD2 3.96Å; W345-Y358 PolarHBondContact O-N 2.98Å; W345-L366 HydrophobicContact CB-CD2 4.02Å; W345-L366 HydrophobicContact CD2-CD2 3.46Å; W345-L366 VanDerWaalsContact CD2-CD2 3.46Å; W345-L366 HydrophobicContact CD2-CG 3.79Å; W345-L366 HydrophobicContact CE3-CD2 3.4Å; W345-L366 VanDerWaalsContact CE3-CD2 3.4Å; W345-L366 HydrophobicContact CE3-CG 3.95Å; W345-L366 HydrophobicContact CG-CD2 3.76Å; W345-L366 HydrophobicContact CG-CG 4.25Å; W345-L366 HydrophobicContact CH2-CG 4.3Å; W345-L366 HydrophobicContact CZ2-CG 4.19Å; W345-L366 HydrophobicContact CZ3-CD2 4Å; W345-L366 HydrophobicContact CZ3-CG 4.19Å; W345-E367 WeakPolarHBondContact CZ2-OE2 3.45Å; W345-E367 PolarHBondContact NE1-OE2 3.34Å; W345-Y370 AromaticContact CH2-CD2 3.7Å; W345-Y370 HydrophobicContact CH2-CD2 3.7Å; W345-Y370 HydrophobicContact CH2-CE2 4.34Å; W345-Y370 AromaticContact CH2-CG 3.91Å; W345-Y370 HydrophobicContact CH2-CG 3.91Å; W345-Y370 HydrophobicContact CZ2-CD1 4.23Å; W345-Y370 AromaticContact CZ2-CD2 3.99Å; W345-Y370 HydrophobicContact CZ2-CD2 3.99Å; W345-Y370 AromaticContact CZ2-CG 3.69Å; W345-Y370 HydrophobicContact CZ2-CG 3.69Å; W345-M393 HydrophobicContact CH2-CE 4.24Å; W345-I399 HydrophobicContact CH2-CD1 3.52Å; W345-I399 HydrophobicContact CZ3-CD1 3.58Å; W345-V424 HydrophobicContact CE3-CG1 3.62Å; W345-V424 HydrophobicContact CZ3-CG1 3.8Å; W345-K425 WeakPolarHBondContact CA-O 3.45Å; W345-R426 HydrophobicContact CD2-CB 4.07Å; W345-R426 HydrophobicContact CD2-CG 4.19Å; W345-R426 HydrophobicContact CE3-CB 3.9Å; W345-R426 HydrophobicContact CH2-CB 3.69Å; W345-R426 HydrophobicContact CH2-CG 4.03Å; W345-R426 HydrophobicContact CZ2-CB 3.82Å; W345-R426 HydrophobicContact CZ2-CG 3.62Å; W345-R426 HydrophobicContact CZ3-CB 3.72Å; W345-R426 HydrophobicContact CZ3-CG 4.44Å
346	F	90.8	Very high	84.8	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.009	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.4	-174.2	-51.5	-93.7	0	0	0	111.3	F274 C343 F355 I356 P357 V424 K425 G427 I428	F274-F346 HydrophobicContact CD2-CE1 4.17Å; F274-F346 HydrophobicContact CD2-CZ 4.48Å; F274-F346 HydrophobicContact CE1-CE1 4.16Å; F274-F346 AromaticContact CE2-CE1 3.46Å; F274-F346 HydrophobicContact CE2-CE1 3.46Å; F274-F346 VanDerWaalsContact CE2-CE1 3.46Å; F274-F346 AromaticContact CE2-CZ 3.55Å; F274-F346 HydrophobicContact CE2-CZ 3.55Å; F274-F346 AromaticContact CZ-CE1 3.46Å; F274-F346 HydrophobicContact CZ-CE1 3.46Å; F274-F346 VanDerWaalsContact CZ-CE1 3.46Å; F274-F346 AromaticContact CZ-CZ 3.78Å; F274-F346 HydrophobicContact CZ-CZ 3.78Å; C343-F346 HydrophobicContact CB-CE1 3.88Å; C343-F346 HydrophobicContact CB-CZ 3.81Å; F346-F355 HydrophobicContact CB-CB 4Å; F346-F355 HydrophobicContact CB-CD1 4.06Å; F346-F355 HydrophobicContact CB-CG 4.47Å; F346-I356 CarbonylContact C-O 3.54Å; F346-I356 VanDerWaalsContact CA-O 3.28Å; F346-I356 WeakPolarHBondContact CA-O 3.08Å; F346-P357 HydrophobicContact CD1-CB 3.92Å; F346-P357 HydrophobicContact CE1-CB 3.91Å; F346-V424 WeakPolarHBondContact O-CA 3.41Å; F346-K425 PolarHBondContact N-O 2.71Å; F346-K425 PolarHBondContact O-N 3.49Å; F346-G427 WeakPolarHBondContact CD2-O 3.29Å; F346-G427 WeakPolarHBondContact CE2-O 3.48Å; F346-I428 HydrophobicContact CE2-CG1 4.01Å; F346-I428 HydrophobicContact CZ-CD1 4.33Å; F346-I428 HydrophobicContact CZ-CG1 3.99Å
347	Y	88.4	Confident	84.9	Confident	47 Å²	47	44.7 Å²	44.7	18%	0.184	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.8	167.2	65.2	-87.5	0	0	0	111	F355 I356 Y358 V423	Y347-F355 CarbonylContact O-C 3.51Å; Y347-F355 WeakPolarHBondContact O-CA 3.47Å; Y347-I356 HydrophobicContact CD1-CB 4.4Å; Y347-I356 WeakPolarHBondContact CD1-O 3.45Å; Y347-I356 HydrophobicContact CD2-CB 4.4Å; Y347-I356 HydrophobicContact CE1-CB 3.92Å; Y347-I356 HydrophobicContact CE1-CG2 3.81Å; Y347-I356 HydrophobicContact CE2-CB 3.93Å; Y347-I356 HydrophobicContact CE2-CD1 3.88Å; Y347-I356 HydrophobicContact CE2-CG1 4.39Å; Y347-I356 HydrophobicContact CE2-CG2 4.34Å; Y347-I356 PolarHBondContact N-O 3.18Å; Y347-I356 PolarHBondContact O-N 2.92Å; Y347-I356 WeakPolarHBondContact OH-CG2 3.49Å; Y347-Y358 AromaticContact CD1-CD1 3.86Å; Y347-Y358 HydrophobicContact CD1-CD1 3.86Å; Y347-Y358 HydrophobicContact CD1-CD2 4.18Å; Y347-Y358 AromaticContact CD1-CE1 3.56Å; Y347-Y358 HydrophobicContact CD1-CE1 3.56Å; Y347-Y358 AromaticContact CD1-CE2 3.91Å; Y347-Y358 HydrophobicContact CD1-CE2 3.91Å; Y347-Y358 HydrophobicContact CD1-CG 4.17Å; Y347-Y358 AromaticContact CD1-CZ 3.6Å; Y347-Y358 HydrophobicContact CE1-CD1 4.2Å; Y347-Y358 HydrophobicContact CE1-CE1 4.13Å; Y347-Y358 HydrophobicContact CG-CE1 4.34Å; Y347-Y358 HydrophobicContact CG-CE2 4.38Å; Y347-V423 WeakPolarHBondContact CA-O 3.25Å
348	K	85.6	Confident	84.7	Confident	72 Å²	72	41.2 Å²	41.2	31%	0.313	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	136.7	173.3	-172	166.4	178.9	110.5	0	110.6	S353 F355 V423	K348-S353 WeakPolarHBondContact CE-O 3.43Å; K348-S353 PolarHBondContact NZ-O 2.83Å; K348-F355 HydrophobicContact CB-CD1 4.34Å; K348-F355 HydrophobicContact CB-CE1 4.12Å; K348-V423 HydrophobicContact CB-CB 4.36Å; K348-V423 PolarHBondContact N-O 3.11Å
349	G	77.7	Confident	84.6	Confident	15 Å²	15	43.8 Å²	43.8	16%	0.155	23%	0.228	C	C	.	.			trans	-65	163.2	175.3	0	0	0	0	0	113.5	R354	G349-R354 PolarHBondContact N-O 3.18Å
350	D	70.4	Confident	84.4	Confident	101 Å²	101	41.9 Å²	41.9	54%	0.54	22%	0.219	S	C	.	.	S	Bend	trans	-78.9	-40.6	178.6	-57.9	-35.5	0	0	0	112	R422	D350-R422 IonicContact OD1-CZ 3.35Å; D350-R422 IonicContact OD1-NE 3.61Å; D350-R422 PolarHBondContact OD1-NE 2.99Å; D350-R422 IonicContact OD1-NH2 3.94Å; D350-R422 IonicContact OD2-CZ 2.8Å; D350-R422 IonicContact OD2-NE 3.15Å; D350-R422 IonicContact OD2-NH2 2.63Å; D350-R422 PolarHBondContact OD2-NH2 3.46Å
351	T	67.7	Low	84.1	Confident	124 Å²	124	47.9 Å²	47.9	76%	0.761	25%	0.246	S	C	*	.	S	Bend	trans	-99.1	-36.4	-178.5	49.9	0	0	0	0	112.8
352	D	61.7	Low	84	Confident	35 Å²	35	47.2 Å²	47.2	19%	0.187	25%	0.245	C	C	.	.			trans	-98.5	142.7	-177.9	-161.3	-39.7	0	0	0	111	R354	D352-R354 VanDerWaalsContact C-N 3.27Å; D352-R354 PolarHBondContact O-N 3.35Å; D352-R354 WeakPolarHBondContact OD1-CB 3.39Å; D352-R354 WeakPolarHBondContact OD1-CG 3.45Å; D352-R354 PolarHBondContact OD1-N 3.34Å; D352-R354 IonicContact OD1-NE 2.92Å; D352-R354 PolarHBondContact OD1-NE 3.28Å; D352-R354 IonicContact OD2-CZ 2.7Å; D352-R354 IonicContact OD2-NE 3.54Å; D352-R354 PolarHBondContact OD2-NE 3.06Å; D352-R354 IonicContact OD2-NH2 3.66Å; D352-R354 PolarHBondContact OD2-NH2 3.21Å
353	S	68.8	Low	83.9	Confident	84 Å²	84	45 Å²	45	59%	0.587	24%	0.237	S	C	*	.	S	Bend	trans	-74.2	-16.8	175.7	67.4	0	0	0	0	114.1	K348	K348-S353 WeakPolarHBondContact CE-O 3.43Å; K348-S353 PolarHBondContact NZ-O 2.83Å
354	R	75.2	Confident	84	Confident	86 Å²	86	50.6 Å²	50.6	33%	0.325	26%	0.262	S	S	.	.	S	Bend	trans	-64	157.8	177.7	-72.1	-177.8	-70.7	171.4	-3.3	113.1	G349 D352	G349-R354 PolarHBondContact N-O 3.18Å; D352-R354 VanDerWaalsContact C-N 3.27Å; D352-R354 PolarHBondContact O-N 3.35Å; D352-R354 WeakPolarHBondContact OD1-CB 3.39Å; D352-R354 WeakPolarHBondContact OD1-CG 3.45Å; D352-R354 PolarHBondContact OD1-N 3.34Å; D352-R354 IonicContact OD1-NE 2.92Å; D352-R354 PolarHBondContact OD1-NE 3.28Å; D352-R354 IonicContact OD2-CZ 2.7Å; D352-R354 IonicContact OD2-NE 3.54Å; D352-R354 PolarHBondContact OD2-NE 3.06Å; D352-R354 IonicContact OD2-NH2 3.66Å; D352-R354 PolarHBondContact OD2-NH2 3.21Å
355	F	79.3	Confident	83.8	Confident	48 Å²	48	54.2 Å²	54.2	21%	0.211	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.9	175.6	-77.3	-90	0	0	0	110.2	F346 Y347 K348 K425 L432	F346-F355 HydrophobicContact CB-CB 4Å; F346-F355 HydrophobicContact CB-CD1 4.06Å; F346-F355 HydrophobicContact CB-CG 4.47Å; Y347-F355 CarbonylContact O-C 3.51Å; Y347-F355 WeakPolarHBondContact O-CA 3.47Å; K348-F355 HydrophobicContact CB-CD1 4.34Å; K348-F355 HydrophobicContact CB-CE1 4.12Å; F355-K425 HydrophobicContact CD1-CB 4.04Å; F355-K425 HydrophobicContact CD1-CD 4.26Å; F355-K425 HydrophobicContact CE1-CB 3.64Å; F355-K425 HydrophobicContact CE1-CD 3.86Å; F355-K425 HydrophobicContact CE1-CG 4.4Å; F355-K425 HydrophobicContact CE2-CD 4.33Å; F355-K425 HydrophobicContact CZ-CB 4.41Å; F355-K425 HydrophobicContact CZ-CD 3.89Å; F355-L432 HydrophobicContact CB-CD2 3.85Å; F355-L432 HydrophobicContact CD2-CD2 3.51Å; F355-L432 HydrophobicContact CE2-CD2 4.38Å; F355-L432 HydrophobicContact CG-CD2 3.98Å
356	I	86.5	Confident	83.8	Confident	50 Å²	50	54.2 Å²	54.2	26%	0.256	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.5	179.5	-58.6	172.6	0	0	0	108.2	F346 Y347	F346-I356 CarbonylContact C-O 3.54Å; F346-I356 VanDerWaalsContact CA-O 3.28Å; F346-I356 WeakPolarHBondContact CA-O 3.08Å; Y347-I356 HydrophobicContact CD1-CB 4.4Å; Y347-I356 WeakPolarHBondContact CD1-O 3.45Å; Y347-I356 HydrophobicContact CD2-CB 4.4Å; Y347-I356 HydrophobicContact CE1-CB 3.92Å; Y347-I356 HydrophobicContact CE1-CG2 3.81Å; Y347-I356 HydrophobicContact CE2-CB 3.93Å; Y347-I356 HydrophobicContact CE2-CD1 3.88Å; Y347-I356 HydrophobicContact CE2-CG1 4.39Å; Y347-I356 HydrophobicContact CE2-CG2 4.34Å; Y347-I356 PolarHBondContact N-O 3.18Å; Y347-I356 PolarHBondContact O-N 2.92Å; Y347-I356 WeakPolarHBondContact OH-CG2 3.49Å
357	P	90.3	Very high	83.9	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	136.5	178.1	26.3	-32.9	0	0	0	112.6	F274 W285 R341 C343 F346	F274-P357 HydrophobicContact CB-CG 4.49Å; F274-P357 HydrophobicContact CG-CG 4.48Å; W285-P357 VanDerWaalsContact CB-CD 3.48Å; W285-P357 HydrophobicContact CB-CG 3.87Å; W285-P357 HydrophobicContact CD2-CG 3.56Å; W285-P357 HydrophobicContact CE3-CG 3.68Å; W285-P357 HydrophobicContact CG-CG 3.64Å; W285-P357 HydrophobicContact CZ3-CG 4.49Å; R341-P357 PolarHBondContact NH1-O 3.4Å; R341-P357 VanDerWaalsContact NH1-O 3.11Å; C343-P357 HydrophobicContact CB-CB 3.84Å; C343-P357 WeakPolarHBondContact SG-CB 3.27Å; F346-P357 HydrophobicContact CD1-CB 3.92Å; F346-P357 HydrophobicContact CE1-CB 3.91Å
358	Y	91	Very high	84.1	Confident	9 Å²	9	55.3 Å²	55.3	4%	0.035	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-67.6	161.3	164.1	-76.2	-69.6	0	0	0	111.2	R341 W345 Y347 F362 S363 L366 Q401 V424	R341-Y358 VanDerWaalsContact CD-O 3.32Å; R341-Y358 WeakPolarHBondContact CD-O 3.38Å; W345-Y358 HydrophobicContact CB-CD2 3.96Å; W345-Y358 PolarHBondContact O-N 2.98Å; Y347-Y358 AromaticContact CD1-CD1 3.86Å; Y347-Y358 HydrophobicContact CD1-CD1 3.86Å; Y347-Y358 HydrophobicContact CD1-CD2 4.18Å; Y347-Y358 AromaticContact CD1-CE1 3.56Å; Y347-Y358 HydrophobicContact CD1-CE1 3.56Å; Y347-Y358 AromaticContact CD1-CE2 3.91Å; Y347-Y358 HydrophobicContact CD1-CE2 3.91Å; Y347-Y358 HydrophobicContact CD1-CG 4.17Å; Y347-Y358 AromaticContact CD1-CZ 3.6Å; Y347-Y358 HydrophobicContact CE1-CD1 4.2Å; Y347-Y358 HydrophobicContact CE1-CE1 4.13Å; Y347-Y358 HydrophobicContact CG-CE1 4.34Å; Y347-Y358 HydrophobicContact CG-CE2 4.38Å; Y358-F362 AromaticContact CD1-CD1 3.39Å; Y358-F362 HydrophobicContact CD1-CD1 3.39Å; Y358-F362 AromaticContact CD1-CE1 3.46Å; Y358-F362 HydrophobicContact CD1-CE1 3.46Å; Y358-F362 VanDerWaalsContact CD1-CE1 3.46Å; Y358-F362 HydrophobicContact CD1-CG 4.1Å; Y358-F362 HydrophobicContact CD1-CZ 4.21Å; Y358-F362 HydrophobicContact CD2-CD1 4.17Å; Y358-F362 HydrophobicContact CD2-CE1 4.17Å; Y358-F362 AromaticContact CE1-CD1 3.87Å; Y358-F362 HydrophobicContact CE1-CD1 3.87Å; Y358-F362 AromaticContact CE1-CE1 3.4Å; Y358-F362 HydrophobicContact CE1-CE1 3.4Å; Y358-F362 AromaticContact CE1-CZ 3.89Å; Y358-F362 HydrophobicContact CE1-CZ 3.89Å; Y358-F362 HydrophobicContact CE2-CE1 4.11Å; Y358-F362 AromaticContact CG-CD1 3.55Å; Y358-F362 HydrophobicContact CG-CD1 3.55Å; Y358-F362 AromaticContact CG-CE1 3.85Å; Y358-F362 HydrophobicContact CG-CE1 3.85Å; Y358-F362 HydrophobicContact CG-CG 4.47Å; Y358-F362 AromaticContact CZ-CE1 3.72Å; Y358-S363 WeakPolarHBondContact CB-OG 3.48Å; Y358-L366 HydrophobicContact CE2-CD2 4.45Å; Y358-Q401 PolarHBondContact OH-NE2 3.38Å; Y358-Q401 PolarHBondContact OH-OE1 2.88Å; Y358-Q401 VanDerWaalsContact OH-OE1 3.14Å; Y358-V424 HydrophobicContact CE2-CG1 4.12Å; Y358-V424 HydrophobicContact CE2-CG2 4.29Å; Y358-V424 WeakPolarHBondContact OH-CG2 3.44Å
359	T	90.6	Very high	84.4	Confident	68 Å²	68	54.4 Å²	54.4	42%	0.417	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-63	155.4	170.1	58.1	0	0	0	0	111	E361 F362 S363	T359-E361 PolarHBondContact O-N 2.86Å; T359-F362 PolarHBondContact O-N 3.44Å; T359-F362 VanDerWaalsContact OG1-CB 3.3Å; T359-F362 WeakPolarHBondContact OG1-CB 3.41Å; T359-S363 WeakPolarHBondContact O-CB 3.48Å; T359-S363 PolarHBondContact O-N 2.84Å; T359-S363 PolarHBondContact O-OG 3.44Å
360	E	90.3	Very high	85.1	Confident	40 Å²	40	54.8 Å²	54.8	19%	0.187	29%	0.287	C	S	.	.	H	α-helix	trans	-55.9	-53.9	-179.7	-80.3	173.3	-133.6	0	0	111.8	R326 R341 R342 F362 S363 E364	R326-E360 IonicContact CZ-OE1 2.72Å; R326-E360 IonicContact CZ-OE2 3.82Å; R326-E360 IonicContact NE-OE1 3.78Å; R326-E360 PolarHBondContact NE-OE1 2.99Å; R326-E360 IonicContact NE-OE2 3.37Å; R326-E360 PolarHBondContact NE-OE2 3.41Å; R326-E360 IonicContact NH2-OE1 3.2Å; R326-E360 IonicContact NH2-OE2 2.76Å; R326-E360 PolarHBondContact NH2-OE2 3.41Å; R341-E360 HydrophobicContact CG-CG 4.27Å; R342-E360 HydrophobicContact CB-CG 4.1Å; R342-E360 PolarHBondContact N-OE1 2.88Å; R342-E360 WeakPolarHBondContact O-CG 3.17Å; E360-F362 VanDerWaalsContact C-N 3.27Å; E360-F362 PolarHBondContact O-N 3.21Å; E360-S363 WeakPolarHBondContact O-CB 3.45Å; E360-S363 PolarHBondContact O-N 2.86Å; E360-S363 VanDerWaalsContact O-N 3.11Å; E360-E364 WeakPolarHBondContact O-CG 3.24Å; E360-E364 PolarHBondContact O-N 3.25Å
361	E	89.8	Confident	86.1	Confident	126 Å²	126	54.7 Å²	54.7	59%	0.589	28%	0.281	S	S	*	.	H	α-helix	trans	-52.7	-40.3	175.8	-81.4	-162.9	-130.5	0	0	114.2	T359 K365	T359-E361 PolarHBondContact O-N 2.86Å; E361-K365 WeakPolarHBondContact O-CD 3.44Å; E361-K365 VanDerWaalsContact O-CE 3.25Å; E361-K365 WeakPolarHBondContact O-CE 3.41Å; E361-K365 WeakPolarHBondContact O-CG 3.26Å; E361-K365 PolarHBondContact O-N 2.83Å; E361-K365 IonicContact OE2-NZ 2.77Å; E361-K365 PolarHBondContact OE2-NZ 2.85Å
362	F	90.4	Very high	87.2	Confident	17 Å²	17	52.9 Å²	52.9	8%	0.075	26%	0.263	C	S	.	.	H	α-helix	trans	-72.6	-42.4	-179.3	-171.6	-82.6	0	0	0	110.3	Y358 T359 E360 E364 K365 L366 F385 E389 I391	Y358-F362 AromaticContact CD1-CD1 3.39Å; Y358-F362 HydrophobicContact CD1-CD1 3.39Å; Y358-F362 AromaticContact CD1-CE1 3.46Å; Y358-F362 HydrophobicContact CD1-CE1 3.46Å; Y358-F362 VanDerWaalsContact CD1-CE1 3.46Å; Y358-F362 HydrophobicContact CD1-CG 4.1Å; Y358-F362 HydrophobicContact CD1-CZ 4.21Å; Y358-F362 HydrophobicContact CD2-CD1 4.17Å; Y358-F362 HydrophobicContact CD2-CE1 4.17Å; Y358-F362 AromaticContact CE1-CD1 3.87Å; Y358-F362 HydrophobicContact CE1-CD1 3.87Å; Y358-F362 AromaticContact CE1-CE1 3.4Å; Y358-F362 HydrophobicContact CE1-CE1 3.4Å; Y358-F362 AromaticContact CE1-CZ 3.89Å; Y358-F362 HydrophobicContact CE1-CZ 3.89Å; Y358-F362 HydrophobicContact CE2-CE1 4.11Å; Y358-F362 AromaticContact CG-CD1 3.55Å; Y358-F362 HydrophobicContact CG-CD1 3.55Å; Y358-F362 AromaticContact CG-CE1 3.85Å; Y358-F362 HydrophobicContact CG-CE1 3.85Å; Y358-F362 HydrophobicContact CG-CG 4.47Å; Y358-F362 AromaticContact CZ-CE1 3.72Å; T359-F362 PolarHBondContact O-N 3.44Å; T359-F362 VanDerWaalsContact OG1-CB 3.3Å; T359-F362 WeakPolarHBondContact OG1-CB 3.41Å; E360-F362 VanDerWaalsContact C-N 3.27Å; E360-F362 PolarHBondContact O-N 3.21Å; F362-E364 PolarHBondContact O-N 2.76Å; F362-K365 PolarHBondContact O-N 2.96Å; F362-L366 HydrophobicContact CD1-CD2 4.48Å; F362-L366 HydrophobicContact CE1-CD2 4.11Å; F362-L366 VanDerWaalsContact O-CB 3.24Å; F362-L366 WeakPolarHBondContact O-CB 3.41Å; F362-L366 PolarHBondContact O-N 2.9Å; F362-F385 AromaticContact CD2-CD1 3.89Å; F362-F385 HydrophobicContact CD2-CD1 3.89Å; F362-F385 HydrophobicContact CD2-CE1 4.34Å; F362-F385 HydrophobicContact CD2-CG 4.28Å; F362-F385 HydrophobicContact CE2-CB 3.85Å; F362-F385 AromaticContact CE2-CD1 3.57Å; F362-F385 HydrophobicContact CE2-CD1 3.57Å; F362-F385 HydrophobicContact CE2-CD2 4.01Å; F362-F385 HydrophobicContact CE2-CE1 4.09Å; F362-F385 HydrophobicContact CE2-CE2 4.49Å; F362-F385 AromaticContact CE2-CG 3.52Å; F362-F385 HydrophobicContact CE2-CG 3.52Å; F362-F385 HydrophobicContact CZ-CD1 4.1Å; F362-F385 AromaticContact CZ-CD2 3.98Å; F362-F385 HydrophobicContact CZ-CD2 3.98Å; F362-F385 HydrophobicContact CZ-CE1 4.23Å; F362-F385 HydrophobicContact CZ-CE2 4.13Å; F362-F385 AromaticContact CZ-CG 3.98Å; F362-F385 HydrophobicContact CZ-CG 3.98Å; F362-F385 HydrophobicContact CZ-CZ 4.25Å; F362-E389 WeakPolarHBondContact CE2-OE2 3.47Å; F362-I391 HydrophobicContact CE1-CD1 3.62Å; F362-I391 HydrophobicContact CZ-CD1 3.62Å
363	S	92	Very high	88.6	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-40.6	176.8	-54.8	0	0	0	0	112	T344 Y358 T359 E360 L366 E367	T344-S363 WeakPolarHBondContact OG1-CB 3.17Å; Y358-S363 WeakPolarHBondContact CB-OG 3.48Å; T359-S363 WeakPolarHBondContact O-CB 3.48Å; T359-S363 PolarHBondContact O-N 2.84Å; T359-S363 PolarHBondContact O-OG 3.44Å; E360-S363 WeakPolarHBondContact O-CB 3.45Å; E360-S363 PolarHBondContact O-N 2.86Å; E360-S363 VanDerWaalsContact O-N 3.11Å; S363-L366 PolarHBondContact O-N 3.06Å; S363-E367 VanDerWaalsContact O-CB 3.24Å; S363-E367 WeakPolarHBondContact O-CB 3.41Å; S363-E367 PolarHBondContact O-N 2.99Å
364	E	91.4	Very high	89.6	Confident	117 Å²	117	47.9 Å²	47.9	55%	0.547	23%	0.231	S	C	.	.	H	α-helix	trans	-64.1	-47	175	-72.1	-173.8	161.4	0	0	112.8	E360 F362 L366 E367 A368	E360-E364 WeakPolarHBondContact O-CG 3.24Å; E360-E364 PolarHBondContact O-N 3.25Å; F362-E364 PolarHBondContact O-N 2.76Å; E364-L366 VanDerWaalsContact C-N 3.29Å; E364-L366 PolarHBondContact O-N 2.81Å; E364-E367 PolarHBondContact O-N 3.42Å; E364-A368 WeakPolarHBondContact O-CB 3.09Å; E364-A368 PolarHBondContact O-N 3.44Å
365	K	90.6	Very high	90.3	Very high	96 Å²	96	47.8 Å²	47.8	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-62.9	-39.1	178.3	-67.3	160.4	-159.6	168	0	110.8	E361 F362 E369 F385	E361-K365 WeakPolarHBondContact O-CD 3.44Å; E361-K365 VanDerWaalsContact O-CE 3.25Å; E361-K365 WeakPolarHBondContact O-CE 3.41Å; E361-K365 WeakPolarHBondContact O-CG 3.26Å; E361-K365 PolarHBondContact O-N 2.83Å; E361-K365 IonicContact OE2-NZ 2.77Å; E361-K365 PolarHBondContact OE2-NZ 2.85Å; F362-K365 PolarHBondContact O-N 2.96Å; K365-E369 PolarHBondContact O-N 3.11Å; K365-F385 HydrophobicContact CB-CE1 3.97Å
366	L	91.6	Very high	90.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.1	-42.8	176.8	-173.9	58.9	0	0	0	112.3	W345 Y358 F362 S363 E364 A368 E369 Y370 L383 F385 I391 M393 V424	W345-L366 HydrophobicContact CB-CD2 4.02Å; W345-L366 HydrophobicContact CD2-CD2 3.46Å; W345-L366 VanDerWaalsContact CD2-CD2 3.46Å; W345-L366 HydrophobicContact CD2-CG 3.79Å; W345-L366 HydrophobicContact CE3-CD2 3.4Å; W345-L366 VanDerWaalsContact CE3-CD2 3.4Å; W345-L366 HydrophobicContact CE3-CG 3.95Å; W345-L366 HydrophobicContact CG-CD2 3.76Å; W345-L366 HydrophobicContact CG-CG 4.25Å; W345-L366 HydrophobicContact CH2-CG 4.3Å; W345-L366 HydrophobicContact CZ2-CG 4.19Å; W345-L366 HydrophobicContact CZ3-CD2 4Å; W345-L366 HydrophobicContact CZ3-CG 4.19Å; Y358-L366 HydrophobicContact CE2-CD2 4.45Å; F362-L366 HydrophobicContact CD1-CD2 4.48Å; F362-L366 HydrophobicContact CE1-CD2 4.11Å; F362-L366 VanDerWaalsContact O-CB 3.24Å; F362-L366 WeakPolarHBondContact O-CB 3.41Å; F362-L366 PolarHBondContact O-N 2.9Å; S363-L366 PolarHBondContact O-N 3.06Å; E364-L366 VanDerWaalsContact C-N 3.29Å; E364-L366 PolarHBondContact O-N 2.81Å; L366-A368 VanDerWaalsContact C-N 3.35Å; L366-A368 PolarHBondContact O-N 3.35Å; L366-E369 PolarHBondContact O-N 2.99Å; L366-Y370 WeakPolarHBondContact O-CB 3.38Å; L366-Y370 PolarHBondContact O-N 2.89Å; L366-L383 HydrophobicContact CD1-CD1 4.37Å; L366-F385 HydrophobicContact CB-CZ 4.38Å; L366-F385 HydrophobicContact CD1-CZ 4.07Å; L366-I391 HydrophobicContact CD1-CB 4.48Å; L366-I391 HydrophobicContact CD1-CD1 3.8Å; L366-I391 HydrophobicContact CD1-CG2 4.03Å; L366-I391 HydrophobicContact CD2-CD1 3.9Å; L366-M393 HydrophobicContact CD1-CE 3.36Å; L366-M393 HydrophobicContact CG-CE 4.17Å; L366-V424 HydrophobicContact CD2-CG1 4.14Å
367	E	93.3	Very high	90.8	Very high	16 Å²	16	51.1 Å²	51.1	8%	0.075	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-36.5	176.1	-174.2	59.7	-163.4	0	0	112.2	Y266 V269 W345 S363 E364 Y370 K371 R426	Y266-E367 WeakPolarHBondContact CE2-OE1 3.28Å; Y266-E367 PolarHBondContact OH-OE1 2.85Å; V269-E367 HydrophobicContact CG1-CG 4.2Å; W345-E367 WeakPolarHBondContact CZ2-OE2 3.45Å; W345-E367 PolarHBondContact NE1-OE2 3.34Å; S363-E367 VanDerWaalsContact O-CB 3.24Å; S363-E367 WeakPolarHBondContact O-CB 3.41Å; S363-E367 PolarHBondContact O-N 2.99Å; E364-E367 PolarHBondContact O-N 3.42Å; E367-Y370 PolarHBondContact O-N 3.47Å; E367-K371 VanDerWaalsContact O-CB 3.23Å; E367-K371 WeakPolarHBondContact O-CB 3.31Å; E367-K371 PolarHBondContact O-N 3.47Å; E367-R426 IonicContact OE1-CZ 2.86Å; E367-R426 IonicContact OE1-NE 2.7Å; E367-R426 PolarHBondContact OE1-NE 3.26Å; E367-R426 IonicContact OE1-NH2 2.76Å; E367-R426 PolarHBondContact OE1-NH2 3.06Å; E367-R426 IonicContact OE2-CZ 3.82Å; E367-R426 IonicContact OE2-NE 3.2Å; E367-R426 PolarHBondContact OE2-NE 2.93Å; E367-R426 IonicContact OE2-NH2 2.66Å
368	A	92.3	Very high	90.6	Very high	56 Å²	56	55.9 Å²	55.9	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-44.8	175.6	0	0	0	0	0	112.4	E364 L366 K372	E364-A368 WeakPolarHBondContact O-CB 3.09Å; E364-A368 PolarHBondContact O-N 3.44Å; L366-A368 VanDerWaalsContact C-N 3.35Å; L366-A368 PolarHBondContact O-N 3.35Å; A368-K372 WeakPolarHBondContact O-CB 3.42Å; A368-K372 PolarHBondContact O-N 3.01Å; A368-K372 VanDerWaalsContact O-N 3.1Å
369	E	91.7	Very high	90.5	Very high	52 Å²	52	57.4 Å²	57.4	24%	0.243	29%	0.291	C	S	.	.	H	α-helix	trans	-71.7	-33	174.9	-73.9	-63.7	131.9	0	0	112.4	K365 L366 K372 A373 L383	K365-E369 PolarHBondContact O-N 3.11Å; L366-E369 PolarHBondContact O-N 2.99Å; E369-K372 PolarHBondContact O-N 2.91Å; E369-K372 WeakPolarHBondContact OE1-CD 3.33Å; E369-K372 IonicContact OE1-NZ 3.78Å; E369-K372 PolarHBondContact OE1-NZ 3.01Å; E369-K372 WeakPolarHBondContact OE2-CD 3.46Å; E369-K372 IonicContact OE2-NZ 3.35Å; E369-K372 PolarHBondContact OE2-NZ 3.14Å; E369-A373 WeakPolarHBondContact O-CB 3.44Å; E369-A373 PolarHBondContact O-N 3.22Å; E369-L383 HydrophobicContact CB-CD1 3.68Å; E369-L383 HydrophobicContact CB-CD2 4.1Å; E369-L383 HydrophobicContact CG-CD1 4.26Å; E369-L383 HydrophobicContact CG-CD2 3.96Å
370	Y	91.9	Very high	90.3	Very high	23 Å²	23	60.3 Å²	60.3	9%	0.09	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-49	171.3	177.9	-98.6	0	0	0	111.8	Y266 W345 L366 E367 K372 A373 V374 W379 M393 I399 R426	Y266-Y370 HydrophobicContact CE2-CD1 4.39Å; W345-Y370 AromaticContact CH2-CD2 3.7Å; W345-Y370 HydrophobicContact CH2-CD2 3.7Å; W345-Y370 HydrophobicContact CH2-CE2 4.34Å; W345-Y370 AromaticContact CH2-CG 3.91Å; W345-Y370 HydrophobicContact CH2-CG 3.91Å; W345-Y370 HydrophobicContact CZ2-CD1 4.23Å; W345-Y370 AromaticContact CZ2-CD2 3.99Å; W345-Y370 HydrophobicContact CZ2-CD2 3.99Å; W345-Y370 AromaticContact CZ2-CG 3.69Å; W345-Y370 HydrophobicContact CZ2-CG 3.69Å; L366-Y370 WeakPolarHBondContact O-CB 3.38Å; L366-Y370 PolarHBondContact O-N 2.89Å; E367-Y370 PolarHBondContact O-N 3.47Å; Y370-K372 VanDerWaalsContact C-N 3.25Å; Y370-K372 PolarHBondContact O-N 2.92Å; Y370-A373 PolarHBondContact O-N 3.19Å; Y370-A373 VanDerWaalsContact O-N 3.1Å; Y370-V374 HydrophobicContact CD1-CG2 4.14Å; Y370-V374 HydrophobicContact CD2-CG2 4.43Å; Y370-V374 HydrophobicContact CE1-CG2 3.7Å; Y370-V374 HydrophobicContact CE2-CG2 4.05Å; Y370-V374 HydrophobicContact CG-CG2 4.47Å; Y370-V374 WeakPolarHBondContact O-CG2 3.27Å; Y370-V374 PolarHBondContact O-N 3.49Å; Y370-W379 HydrophobicContact CE2-CH2 4.27Å; Y370-W379 HydrophobicContact CE2-CZ3 4.46Å; Y370-M393 HydrophobicContact CD2-CE 4.41Å; Y370-M393 HydrophobicContact CD2-SD 4.16Å; Y370-I399 HydrophobicContact CD2-CD1 4.03Å; Y370-I399 HydrophobicContact CE2-CD1 4.14Å; Y370-R426 VanDerWaalsContact CE1-CD 3.42Å; Y370-R426 VanDerWaalsContact CE1-CZ 3.49Å
371	K	92.1	Very high	89.9	Confident	99 Å²	99	62.2 Å²	62.2	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-55.1	-42.3	175.2	-176.8	171.5	-168.7	173	0	111.8	Y266 E367 T375	Y266-K371 HydrophobicContact CD1-CD 4.21Å; Y266-K371 HydrophobicContact CD1-CG 4.13Å; Y266-K371 HydrophobicContact CD2-CB 3.69Å; Y266-K371 HydrophobicContact CD2-CD 4.29Å; Y266-K371 HydrophobicContact CD2-CG 3.58Å; Y266-K371 HydrophobicContact CE1-CD 3.85Å; Y266-K371 HydrophobicContact CE1-CG 4.17Å; Y266-K371 HydrophobicContact CE2-CB 3.42Å; Y266-K371 VanDerWaalsContact CE2-CB 3.42Å; Y266-K371 HydrophobicContact CE2-CD 3.87Å; Y266-K371 HydrophobicContact CE2-CG 3.55Å; Y266-K371 HydrophobicContact CG-CB 4.45Å; Y266-K371 HydrophobicContact CG-CD 4.42Å; Y266-K371 HydrophobicContact CG-CG 3.84Å; E367-K371 VanDerWaalsContact O-CB 3.23Å; E367-K371 WeakPolarHBondContact O-CB 3.31Å; E367-K371 PolarHBondContact O-N 3.47Å; K371-T375 WeakPolarHBondContact O-CB 3.49Å; K371-T375 VanDerWaalsContact O-CG2 3.29Å; K371-T375 WeakPolarHBondContact O-CG2 3.45Å; K371-T375 PolarHBondContact O-N 2.77Å; K371-T375 PolarHBondContact O-OG1 2.84Å
372	K	90.9	Very high	89.6	Confident	86 Å²	86	63.8 Å²	63.8	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-68.2	-42.1	175.6	177	-178.7	165.7	-151.7	0	112.1	A368 E369 Y370 T375 T376	A368-K372 WeakPolarHBondContact O-CB 3.42Å; A368-K372 PolarHBondContact O-N 3.01Å; A368-K372 VanDerWaalsContact O-N 3.1Å; E369-K372 PolarHBondContact O-N 2.91Å; E369-K372 WeakPolarHBondContact OE1-CD 3.33Å; E369-K372 IonicContact OE1-NZ 3.78Å; E369-K372 PolarHBondContact OE1-NZ 3.01Å; E369-K372 WeakPolarHBondContact OE2-CD 3.46Å; E369-K372 IonicContact OE2-NZ 3.35Å; E369-K372 PolarHBondContact OE2-NZ 3.14Å; Y370-K372 VanDerWaalsContact C-N 3.25Å; Y370-K372 PolarHBondContact O-N 2.92Å; K372-T375 PolarHBondContact O-OG1 3.03Å; K372-T376 WeakPolarHBondContact O-CB 3.49Å; K372-T376 WeakPolarHBondContact O-CG2 3.36Å; K372-T376 PolarHBondContact O-N 3.25Å; K372-T376 PolarHBondContact O-OG1 3.48Å
373	A	90.8	Very high	89.4	Confident	5 Å²	5	64 Å²	64	4%	0.041	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-45.4	175.7	0	0	0	0	0	112	E369 Y370 N377 Q378 W379 M393	E369-A373 WeakPolarHBondContact O-CB 3.44Å; E369-A373 PolarHBondContact O-N 3.22Å; Y370-A373 PolarHBondContact O-N 3.19Å; Y370-A373 VanDerWaalsContact O-N 3.1Å; A373-N377 CarbonylContact O-C 3.48Å; A373-N377 WeakPolarHBondContact O-CA 3.28Å; A373-N377 PolarHBondContact O-N 3.22Å; A373-Q378 PolarHBondContact O-N 2.76Å; A373-Q378 VanDerWaalsContact O-N 3.08Å; A373-W379 HydrophobicContact CB-CE3 4.15Å; A373-W379 HydrophobicContact CB-CH2 4.37Å; A373-W379 HydrophobicContact CB-CZ3 4.05Å; A373-M393 HydrophobicContact CB-SD 4.33Å
374	V	90.2	Very high	89	Confident	10 Å²	10	70.3 Å²	70.3	6%	0.061	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-55.4	175	170.1	0	0	0	0	111.4	N264 Y370 T376 N377 W379	N264-V374 HydrophobicContact CB-CG1 3.98Å; N264-V374 VanDerWaalsContact O-CG1 3.28Å; N264-V374 WeakPolarHBondContact O-CG1 3.36Å; Y370-V374 HydrophobicContact CD1-CG2 4.14Å; Y370-V374 HydrophobicContact CD2-CG2 4.43Å; Y370-V374 HydrophobicContact CE1-CG2 3.7Å; Y370-V374 HydrophobicContact CE2-CG2 4.05Å; Y370-V374 HydrophobicContact CG-CG2 4.47Å; Y370-V374 WeakPolarHBondContact O-CG2 3.27Å; Y370-V374 PolarHBondContact O-N 3.49Å; V374-T376 PolarHBondContact O-N 2.93Å; V374-N377 PolarHBondContact O-N 2.88Å; V374-W379 HydrophobicContact CG2-CH2 3.65Å; V374-W379 HydrophobicContact CG2-CZ2 4.01Å
375	T	89.9	Confident	88.4	Confident	83 Å²	83	65.9 Å²	65.9	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-70.4	-28.8	-173.5	52.4	0	0	0	0	114.1	K371 K372	K371-T375 WeakPolarHBondContact O-CB 3.49Å; K371-T375 VanDerWaalsContact O-CG2 3.29Å; K371-T375 WeakPolarHBondContact O-CG2 3.45Å; K371-T375 PolarHBondContact O-N 2.77Å; K371-T375 PolarHBondContact O-OG1 2.84Å; K372-T375 PolarHBondContact O-OG1 3.03Å
376	T	88.8	Confident	87.7	Confident	67 Å²	67	67.7 Å²	67.7	41%	0.411	34%	0.337	S	S	.	.	H	α-helix	trans	-93.5	-6.9	173.7	64	0	0	0	0	113.7	K372 V374 Q378	K372-T376 WeakPolarHBondContact O-CB 3.49Å; K372-T376 WeakPolarHBondContact O-CG2 3.36Å; K372-T376 PolarHBondContact O-N 3.25Å; K372-T376 PolarHBondContact O-OG1 3.48Å; V374-T376 PolarHBondContact O-N 2.93Å; T376-Q378 PolarHBondContact O-N 2.69Å; T376-Q378 WeakPolarHBondContact OG1-CB 3.46Å
377	N	87.3	Confident	86.7	Confident	101 Å²	101	70.8 Å²	70.8	54%	0.54	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	32.2	-169.6	-158.8	39.1	0	0	0	114.3	A373 V374 W379	A373-N377 CarbonylContact O-C 3.48Å; A373-N377 WeakPolarHBondContact O-CA 3.28Å; A373-N377 PolarHBondContact O-N 3.22Å; V374-N377 PolarHBondContact O-N 2.88Å; N377-W379 PolarHBondContact OD1-NE1 2.89Å
378	Q	86.6	Confident	85.9	Confident	101 Å²	101	71.9 Å²	71.9	47%	0.472	37%	0.374	S	S	.	.			trans	-106.3	93.9	-177.5	-71.7	175	6.5	0	0	111	A373 T376 R381	A373-Q378 PolarHBondContact O-N 2.76Å; A373-Q378 VanDerWaalsContact O-N 3.08Å; T376-Q378 PolarHBondContact O-N 2.69Å; T376-Q378 WeakPolarHBondContact OG1-CB 3.46Å; Q378-R381 PolarHBondContact O-NH2 2.88Å
379	W	89.1	Confident	85.4	Confident	42 Å²	42	71 Å²	71	16%	0.159	36%	0.36	C	S	.	.			trans	-93.7	-177	179.9	-56.2	97.7	0	0	0	112.2	Y370 A373 V374 N377 R381 M393 H394 P396	Y370-W379 HydrophobicContact CE2-CH2 4.27Å; Y370-W379 HydrophobicContact CE2-CZ3 4.46Å; A373-W379 HydrophobicContact CB-CE3 4.15Å; A373-W379 HydrophobicContact CB-CH2 4.37Å; A373-W379 HydrophobicContact CB-CZ3 4.05Å; V374-W379 HydrophobicContact CG2-CH2 3.65Å; V374-W379 HydrophobicContact CG2-CZ2 4.01Å; N377-W379 PolarHBondContact OD1-NE1 2.89Å; W379-R381 PolarHBondContact O-N 3.39Å; W379-M393 HydrophobicContact CE3-CB 4.08Å; W379-M393 HydrophobicContact CZ3-CB 4.26Å; W379-H394 WeakPolarHBondContact CB-O 3.29Å; W379-P396 HydrophobicContact CH2-CB 4.44Å; W379-P396 HydrophobicContact CH2-CG 3.61Å; W379-P396 HydrophobicContact CZ2-CG 3.76Å; W379-P396 HydrophobicContact CZ3-CG 4.48Å
380	H	85.8	Confident	85.2	Confident	128 Å²	128	68.8 Å²	68.8	59%	0.593	35%	0.351	S	S	*	.			trans	62.2	21	176	-59.7	72.8	0	0	0	114.8	M393 H394	H380-M393 PolarHBondContact N-O 3.01Å; H380-H394 AromaticContact CD2-CE1 3.8Å; H380-H394 AromaticContact CD2-ND1 3.14Å; H380-H394 PolarHBondContact CD2-ND1 3.4Å; H380-H394 AromaticContact CE1-ND1 3.99Å; H380-H394 PolarHBondContact CE1-O 3.25Å; H380-H394 AromaticContact NE2-CG 3.85Å; H380-H394 AromaticContact NE2-ND1 3.02Å; H380-H394 PolarHBondContact NE2-ND1 3.35Å
381	R	81.8	Confident	85.1	Confident	81 Å²	81	67.7 Å²	67.7	31%	0.306	35%	0.346	S	S	.	.			trans	-79.7	141.3	168.4	-80.9	-169.9	-79.4	-125.3	-7.2	111	Q378 W379 L383	Q378-R381 PolarHBondContact O-NH2 2.88Å; W379-R381 PolarHBondContact O-N 3.39Å; R381-L383 HydrophobicContact CB-CD2 4.5Å
382	R	83.5	Confident	85	Confident	159 Å²	159	64 Å²	64	60%	0.6	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.7	167.3	-169.5	177.3	167.5	111.9	7	107.7	E384 T390	R382-E384 HydrophobicContact CG-CG 4.17Å; R382-E384 IonicContact CZ-OE1 3.41Å; R382-E384 IonicContact NE-OE1 2.71Å; R382-E384 PolarHBondContact NE-OE1 3.02Å; R382-E384 IonicContact NH2-OE1 3.55Å; R382-E384 PolarHBondContact NH2-OE1 2.96Å; R382-T390 HydrophobicContact CG-CG2 3.41Å; R382-T390 VanDerWaalsContact CG-CG2 3.41Å; R382-T390 PolarHBondContact NH2-OG1 2.78Å
383	L	85.6	Confident	85.1	Confident	20 Å²	20	60.2 Å²	60.2	11%	0.105	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.6	176.6	-57.1	179.3	0	0	0	107.7	L366 E369 R381 F385 T390 I391 M393	L366-L383 HydrophobicContact CD1-CD1 4.37Å; E369-L383 HydrophobicContact CB-CD1 3.68Å; E369-L383 HydrophobicContact CB-CD2 4.1Å; E369-L383 HydrophobicContact CG-CD1 4.26Å; E369-L383 HydrophobicContact CG-CD2 3.96Å; R381-L383 HydrophobicContact CB-CD2 4.5Å; L383-F385 HydrophobicContact CB-CE2 3.82Å; L383-F385 HydrophobicContact CB-CZ 4.43Å; L383-T390 CarbonylContact O-C 3.26Å; L383-T390 WeakPolarHBondContact O-CA 3.24Å; L383-I391 WeakPolarHBondContact CB-O 3.35Å; L383-I391 PolarHBondContact N-O 3.46Å; L383-I391 PolarHBondContact O-N 2.8Å; L383-M393 HydrophobicContact CD1-CE 3.74Å; L383-M393 HydrophobicContact CD1-SD 4.17Å
384	E	83.9	Confident	84.9	Confident	135 Å²	135	63.2 Å²	63.2	63%	0.631	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.9	-178.4	-59.6	-172.7	146.5	0	0	109.2	R382	R382-E384 HydrophobicContact CG-CG 4.17Å; R382-E384 IonicContact CZ-OE1 3.41Å; R382-E384 IonicContact NE-OE1 2.71Å; R382-E384 PolarHBondContact NE-OE1 3.02Å; R382-E384 IonicContact NH2-OE1 3.55Å; R382-E384 PolarHBondContact NH2-OE1 2.96Å
385	F	79.4	Confident	84.8	Confident	24 Å²	24	65.7 Å²	65.7	11%	0.105	34%	0.341	C	S	.	.			trans	-102.7	156.9	-176.1	-69.3	-97.1	0	0	0	111	F362 K365 L366 L383 S387 G388 E389 I391	F362-F385 AromaticContact CD2-CD1 3.89Å; F362-F385 HydrophobicContact CD2-CD1 3.89Å; F362-F385 HydrophobicContact CD2-CE1 4.34Å; F362-F385 HydrophobicContact CD2-CG 4.28Å; F362-F385 HydrophobicContact CE2-CB 3.85Å; F362-F385 AromaticContact CE2-CD1 3.57Å; F362-F385 HydrophobicContact CE2-CD1 3.57Å; F362-F385 HydrophobicContact CE2-CD2 4.01Å; F362-F385 HydrophobicContact CE2-CE1 4.09Å; F362-F385 HydrophobicContact CE2-CE2 4.49Å; F362-F385 AromaticContact CE2-CG 3.52Å; F362-F385 HydrophobicContact CE2-CG 3.52Å; F362-F385 HydrophobicContact CZ-CD1 4.1Å; F362-F385 AromaticContact CZ-CD2 3.98Å; F362-F385 HydrophobicContact CZ-CD2 3.98Å; F362-F385 HydrophobicContact CZ-CE1 4.23Å; F362-F385 HydrophobicContact CZ-CE2 4.13Å; F362-F385 AromaticContact CZ-CG 3.98Å; F362-F385 HydrophobicContact CZ-CG 3.98Å; F362-F385 HydrophobicContact CZ-CZ 4.25Å; K365-F385 HydrophobicContact CB-CE1 3.97Å; L366-F385 HydrophobicContact CB-CZ 4.38Å; L366-F385 HydrophobicContact CD1-CZ 4.07Å; L383-F385 HydrophobicContact CB-CE2 3.82Å; L383-F385 HydrophobicContact CB-CZ 4.43Å; F385-S387 PolarHBondContact O-N 2.98Å; F385-G388 PolarHBondContact O-N 3.07Å; F385-E389 PolarHBondContact N-O 3.26Å; F385-I391 HydrophobicContact CE2-CB 4.15Å; F385-I391 HydrophobicContact CE2-CD1 4.05Å; F385-I391 HydrophobicContact CE2-CG1 4.2Å
386	P	75.7	Confident	84.5	Confident	134 Å²	134	64.3 Å²	64.3	87%	0.87	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.9	178.8	-26.2	36	0	0	0	115.2	G388	P386-G388 PolarHBondContact O-N 3.45Å
387	S	70.8	Confident	84.3	Confident	64 Å²	64	70.4 Å²	70.4	45%	0.448	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-4.4	171.2	49.5	0	0	0	0	114.3	F385 E389	F385-S387 PolarHBondContact O-N 2.98Å; S387-E389 VanDerWaalsContact CB-OE2 3.25Å; S387-E389 WeakPolarHBondContact CB-OE2 3.26Å; S387-E389 PolarHBondContact O-N 3Å; S387-E389 PolarHBondContact OG-OE2 2.96Å
388	G	75.8	Confident	84.3	Confident	39 Å²	39	68.9 Å²	68.9	40%	0.402	35%	0.349	S	S	.	.	S	Bend	trans	79.2	-5.8	-171.5	0	0	0	0	0	113.9	F385 P386	F385-G388 PolarHBondContact O-N 3.07Å; P386-G388 PolarHBondContact O-N 3.45Å
389	E	82.1	Confident	84.5	Confident	37 Å²	37	64.3 Å²	64.3	17%	0.173	33%	0.328	C	S	.	.			trans	-71.4	142	177	-62.2	167.9	117.9	0	0	111.1	F362 F385 S387 Q401	F362-E389 WeakPolarHBondContact CE2-OE2 3.47Å; F385-E389 PolarHBondContact N-O 3.26Å; S387-E389 VanDerWaalsContact CB-OE2 3.25Å; S387-E389 WeakPolarHBondContact CB-OE2 3.26Å; S387-E389 PolarHBondContact O-N 3Å; S387-E389 PolarHBondContact OG-OE2 2.96Å; E389-Q401 PolarHBondContact OE1-NE2 3.18Å
390	T	87.5	Confident	84.5	Confident	7 Å²	7	63.5 Å²	63.5	4%	0.043	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.8	178.5	-69.7	0	0	0	0	109.9	R382 L383 V392 Q401 F402	R382-T390 HydrophobicContact CG-CG2 3.41Å; R382-T390 VanDerWaalsContact CG-CG2 3.41Å; R382-T390 PolarHBondContact NH2-OG1 2.78Å; L383-T390 CarbonylContact O-C 3.26Å; L383-T390 WeakPolarHBondContact O-CA 3.24Å; T390-V392 HydrophobicContact CG2-CG2 4.31Å; T390-Q401 CarbonylContact O-C 3.6Å; T390-Q401 WeakPolarHBondContact O-CA 3.22Å; T390-F402 HydrophobicContact CG2-CD2 4.26Å; T390-F402 PolarHBondContact N-O 2.89Å; T390-F402 PolarHBondContact O-N 2.93Å
391	I	90.5	Very high	84.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.2	171.2	-65.8	177.7	0	0	0	110.6	F362 L366 L383 F385 I399 V400 Q401 V424	F362-I391 HydrophobicContact CE1-CD1 3.62Å; F362-I391 HydrophobicContact CZ-CD1 3.62Å; L366-I391 HydrophobicContact CD1-CB 4.48Å; L366-I391 HydrophobicContact CD1-CD1 3.8Å; L366-I391 HydrophobicContact CD1-CG2 4.03Å; L366-I391 HydrophobicContact CD2-CD1 3.9Å; L383-I391 WeakPolarHBondContact CB-O 3.35Å; L383-I391 PolarHBondContact N-O 3.46Å; L383-I391 PolarHBondContact O-N 2.8Å; F385-I391 HydrophobicContact CE2-CB 4.15Å; F385-I391 HydrophobicContact CE2-CD1 4.05Å; F385-I391 HydrophobicContact CE2-CG1 4.2Å; I391-I399 HydrophobicContact CG2-CG2 3.52Å; I391-V400 CarbonylContact C-O 3.59Å; I391-V400 VanDerWaalsContact CA-O 3.31Å; I391-V400 WeakPolarHBondContact CA-O 3.33Å; I391-Q401 HydrophobicContact CG1-CB 4.03Å; I391-Q401 HydrophobicContact CG1-CG 4.13Å; I391-V424 HydrophobicContact CD1-CG2 4.43Å
392	V	90.2	Very high	84.9	Confident	21 Å²	21	57 Å²	57	13%	0.127	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.7	174.2	-176.4	0	0	0	0	109.6	T390 I399 V400 F402	T390-V392 HydrophobicContact CG2-CG2 4.31Å; V392-I399 WeakPolarHBondContact O-CA 3.38Å; V392-V400 HydrophobicContact CB-CG2 4.1Å; V392-V400 PolarHBondContact N-O 3.39Å; V392-V400 PolarHBondContact O-N 2.94Å; V392-F402 HydrophobicContact CB-CE2 4.36Å; V392-F402 HydrophobicContact CG2-CD2 4.27Å; V392-F402 HydrophobicContact CG2-CE2 3.83Å
393	M	91.2	Very high	84.6	Confident	6 Å²	6	53 Å²	53	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	106.2	175.9	-63.9	177.4	-179.9	0	0	110.2	W345 L366 Y370 A373 W379 H380 L383 I399	W345-M393 HydrophobicContact CH2-CE 4.24Å; L366-M393 HydrophobicContact CD1-CE 3.36Å; L366-M393 HydrophobicContact CG-CE 4.17Å; Y370-M393 HydrophobicContact CD2-CE 4.41Å; Y370-M393 HydrophobicContact CD2-SD 4.16Å; A373-M393 HydrophobicContact CB-SD 4.33Å; W379-M393 HydrophobicContact CE3-CB 4.08Å; W379-M393 HydrophobicContact CZ3-CB 4.26Å; H380-M393 PolarHBondContact N-O 3.01Å; L383-M393 HydrophobicContact CD1-CE 3.74Å; L383-M393 HydrophobicContact CD1-SD 4.17Å; M393-I399 HydrophobicContact CB-CG1 4.28Å; M393-I399 HydrophobicContact CG-CB 4.5Å; M393-I399 HydrophobicContact CG-CD1 4.04Å; M393-I399 HydrophobicContact CG-CG1 4.02Å; M393-I399 HydrophobicContact CG-CG2 3.77Å
394	H	87.9	Confident	83.8	Confident	68 Å²	68	55 Å²	55	32%	0.315	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-39.2	177.4	-71.4	-86.5	0	0	0	112.5	W379 H380 V398	W379-H394 WeakPolarHBondContact CB-O 3.29Å; H380-H394 AromaticContact CD2-CE1 3.8Å; H380-H394 AromaticContact CD2-ND1 3.14Å; H380-H394 PolarHBondContact CD2-ND1 3.4Å; H380-H394 AromaticContact CE1-ND1 3.99Å; H380-H394 PolarHBondContact CE1-O 3.25Å; H380-H394 AromaticContact NE2-CG 3.85Å; H380-H394 AromaticContact NE2-ND1 3.02Å; H380-H394 PolarHBondContact NE2-ND1 3.35Å; H394-V398 HydrophobicContact CB-CB 4.22Å; H394-V398 HydrophobicContact CB-CG1 4.11Å; H394-V398 WeakPolarHBondContact CB-O 3.34Å; H394-V398 PolarHBondContact N-O 3.47Å
395	N	86.8	Confident	82.6	Confident	62 Å²	62	52.3 Å²	52.3	33%	0.332	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	176.1	176	67.7	65.5	0	0	0	108.9	K397 V398	N395-K397 PolarHBondContact O-N 3.21Å; N395-K397 WeakPolarHBondContact OD1-CA 3.39Å; N395-K397 PolarHBondContact OD1-N 3.21Å; N395-V398 PolarHBondContact N-O 3.47Å; N395-V398 WeakPolarHBondContact ND2-CG2 3.2Å; N395-V398 PolarHBondContact O-N 3.1Å; N395-V398 VanDerWaalsContact O-N 3.16Å; N395-V398 PolarHBondContact OD1-N 3.38Å; N395-V398 VanDerWaalsContact OD1-N 3.16Å
396	P	84.8	Confident	81.3	Confident	55 Å²	55	55.6 Å²	55.6	36%	0.357	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.2	-178	-29.5	36.8	0	0	0	117	W379	W379-P396 HydrophobicContact CH2-CB 4.44Å; W379-P396 HydrophobicContact CH2-CG 3.61Å; W379-P396 HydrophobicContact CZ2-CG 3.76Å; W379-P396 HydrophobicContact CZ3-CG 4.48Å
397	K	83.5	Confident	80	Confident	195 Å²	195	55.3 Å²	55.3	85%	0.848	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-6.4	-177.7	-59.3	-166.5	175.4	-161.4	0	114.2	N395	N395-K397 PolarHBondContact O-N 3.21Å; N395-K397 WeakPolarHBondContact OD1-CA 3.39Å; N395-K397 PolarHBondContact OD1-N 3.21Å
398	V	87.1	Confident	79.1	Confident	69 Å²	69	56 Å²	56	42%	0.418	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	95.2	-175.7	-176.4	0	0	0	0	108.7	H394 N395	H394-V398 HydrophobicContact CB-CB 4.22Å; H394-V398 HydrophobicContact CB-CG1 4.11Å; H394-V398 WeakPolarHBondContact CB-O 3.34Å; H394-V398 PolarHBondContact N-O 3.47Å; N395-V398 PolarHBondContact N-O 3.47Å; N395-V398 WeakPolarHBondContact ND2-CG2 3.2Å; N395-V398 PolarHBondContact O-N 3.1Å; N395-V398 VanDerWaalsContact O-N 3.16Å; N395-V398 PolarHBondContact OD1-N 3.38Å; N395-V398 VanDerWaalsContact OD1-N 3.16Å
399	I	90.8	Very high	77.9	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.3	179.3	-53.4	177	0	0	0	106.6	W345 Y370 I391 V392 M393 V424	W345-I399 HydrophobicContact CH2-CD1 3.52Å; W345-I399 HydrophobicContact CZ3-CD1 3.58Å; Y370-I399 HydrophobicContact CD2-CD1 4.03Å; Y370-I399 HydrophobicContact CE2-CD1 4.14Å; I391-I399 HydrophobicContact CG2-CG2 3.52Å; V392-I399 WeakPolarHBondContact O-CA 3.38Å; M393-I399 HydrophobicContact CB-CG1 4.28Å; M393-I399 HydrophobicContact CG-CB 4.5Å; M393-I399 HydrophobicContact CG-CD1 4.04Å; M393-I399 HydrophobicContact CG-CG1 4.02Å; M393-I399 HydrophobicContact CG-CG2 3.77Å; I399-V424 HydrophobicContact CB-CB 4.16Å; I399-V424 HydrophobicContact CB-CG1 4.39Å; I399-V424 HydrophobicContact CG2-CB 3.87Å; I399-V424 HydrophobicContact CG2-CG1 3.89Å; I399-V424 PolarHBondContact O-N 3.05Å
400	V	90.2	Very high	76.4	Confident	24 Å²	24	65.7 Å²	65.7	15%	0.145	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.4	-174.4	-70	0	0	0	0	111.4	I391 V392 F402 P421 R422	I391-V400 CarbonylContact C-O 3.59Å; I391-V400 VanDerWaalsContact CA-O 3.31Å; I391-V400 WeakPolarHBondContact CA-O 3.33Å; V392-V400 HydrophobicContact CB-CG2 4.1Å; V392-V400 PolarHBondContact N-O 3.39Å; V392-V400 PolarHBondContact O-N 2.94Å; V400-F402 HydrophobicContact CG2-CE2 3.79Å; V400-F402 HydrophobicContact CG2-CZ 4.19Å; V400-P421 HydrophobicContact CB-CB 4.04Å; V400-P421 HydrophobicContact CG1-CB 4.35Å; V400-R422 CarbonylContact C-O 3.57Å; V400-R422 WeakPolarHBondContact CA-O 3.11Å
401	Q	89	Confident	74.8	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.005	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.2	172.4	-179.2	-173.8	51.8	0	0	110.1	Y358 E389 T390 I391 P421 R422 V424	Y358-Q401 PolarHBondContact OH-NE2 3.38Å; Y358-Q401 PolarHBondContact OH-OE1 2.88Å; Y358-Q401 VanDerWaalsContact OH-OE1 3.14Å; E389-Q401 PolarHBondContact OE1-NE2 3.18Å; T390-Q401 CarbonylContact O-C 3.6Å; T390-Q401 WeakPolarHBondContact O-CA 3.22Å; I391-Q401 HydrophobicContact CG1-CB 4.03Å; I391-Q401 HydrophobicContact CG1-CG 4.13Å; Q401-P421 CarbonylContact O-C 3.51Å; Q401-P421 VanDerWaalsContact O-CA 3.27Å; Q401-P421 WeakPolarHBondContact O-CA 3.47Å; Q401-R422 HydrophobicContact CB-CB 4.37Å; Q401-R422 PolarHBondContact N-O 3.28Å; Q401-R422 PolarHBondContact O-N 3.32Å; Q401-V424 HydrophobicContact CB-CG2 3.64Å
402	F	85.8	Confident	73.1	Confident	73 Å²	73	79.3 Å²	79.3	32%	0.32	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.8	163.5	-55.4	-94.9	0	0	0	107.7	T390 V392 V400 P421	T390-F402 HydrophobicContact CG2-CD2 4.26Å; T390-F402 PolarHBondContact N-O 2.89Å; T390-F402 PolarHBondContact O-N 2.93Å; V392-F402 HydrophobicContact CB-CE2 4.36Å; V392-F402 HydrophobicContact CG2-CD2 4.27Å; V392-F402 HydrophobicContact CG2-CE2 3.83Å; V400-F402 HydrophobicContact CG2-CE2 3.79Å; V400-F402 HydrophobicContact CG2-CZ 4.19Å; F402-P421 HydrophobicContact CD1-CB 4.08Å; F402-P421 HydrophobicContact CE1-CB 3.73Å; F402-P421 HydrophobicContact CE1-CG 4.05Å; F402-P421 HydrophobicContact CZ-CB 4.01Å; F402-P421 HydrophobicContact CZ-CG 4.49Å
403	Q	77.8	Confident	71.2	Confident	73 Å²	73	82.2 Å²	82.2	34%	0.341	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-70.9	154.5	171.9	-71.8	-176.6	-52.1	0	0	110.6	S405	Q403-S405 PolarHBondContact O-N 2.66Å
404	P	68.9	Low	69	Low	64 Å²	64	85.9 Å²	85.9	42%	0.416	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-56.6	135.3	167.7	24.8	-33	0	0	0	109.5	S406	P404-S406 PolarHBondContact O-N 3.24Å
405	S	58.4	Low	66.9	Low	78 Å²	78	89.4 Å²	89.4	55%	0.545	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-60.5	136.7	170	-172.9	0	0	0	0	109	Q403	Q403-S405 PolarHBondContact O-N 2.66Å
406	S	51.9	Low	64.7	Low	92 Å²	92	94.3 Å²	94.3	64%	0.643	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-53.1	152.4	155.5	40.8	0	0	0	0	109.5	P404	P404-S406 PolarHBondContact O-N 3.24Å
407	V	49.9	Very low	62.9	Low	128 Å²	128	94.4 Å²	94.4	78%	0.776	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-57.2	131.6	179.9	-173.6	0	0	0	0	108.5	D409	V407-D409 PolarHBondContact O-N 2.83Å
408	P	50.6	Low	61.1	Low	79 Å²	79	94 Å²	94	51%	0.513	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-59.7	132.7	174.7	-21.3	32.4	0	0	0	110.2
409	D	51.9	Low	59.7	Low	74 Å²	74	93.8 Å²	93.8	40%	0.396	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-51.9	155.6	169.9	-70.8	-21.2	0	0	0	110.5	V407 W411 G412 Q415	V407-D409 PolarHBondContact O-N 2.83Å; D409-W411 PolarHBondContact O-N 3.18Å; D409-G412 PolarHBondContact O-N 2.7Å; D409-Q415 PolarHBondContact OD2-NE2 3.13Å
410	E	49.6	Very low	58.7	Low	205 Å²	205	103.7 Å²	103.7	96%	0.958	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-14	-174.7	-164.7	173.2	-179.9	0	0	114.2
411	W	53.6	Low	58.3	Low	231 Å²	231	105.4 Å²	105.4	88%	0.875	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	3.4	175.5	-146.4	-109.2	0	0	0	115.5	D409 T413	D409-W411 PolarHBondContact O-N 3.18Å; W411-T413 PolarHBondContact O-N 3.15Å
412	G	55.6	Low	58.2	Low	63 Å²	63	107 Å²	107	65%	0.649	58%	0.58	S	S	*	*	S	Bend	trans	72.4	9.5	176.4	0	0	0	0	0	115.3	D409	D409-G412 PolarHBondContact O-N 2.7Å
413	T	49.5	Very low	58.3	Low	82 Å²	82	107.2 Å²	107.2	50%	0.503	59%	0.586	S	S	.	*			trans	-107.9	116.1	176.4	48.4	0	0	0	0	110.1	W411 Q415	W411-T413 PolarHBondContact O-N 3.15Å; T413-Q415 PolarHBondContact O-N 3.01Å
414	T	45.8	Very low	58.9	Low	83 Å²	83	104 Å²	104	51%	0.509	57%	0.572	S	S	.	*			trans	-68.4	110.7	170.6	51.5	0	0	0	0	109.7
415	Q	43.7	Very low	59.9	Low	142 Å²	142	102 Å²	102	66%	0.664	56%	0.557	S	S	*	*			trans	-68.8	148.5	160.9	-65.4	-175.6	81.7	0	0	109.1	D409 T413	D409-Q415 PolarHBondContact OD2-NE2 3.13Å; T413-Q415 PolarHBondContact O-N 3.01Å
416	D	40.8	Very low	61.4	Low	164 Å²	164	100.9 Å²	100.9	88%	0.877	54%	0.54	S	S	*	.	S	Bend	trans	54.9	68.1	176.1	-57.4	-30.5	0	0	0	118.2
417	G	46.2	Very low	63	Low	57 Å²	57	96.8 Å²	96.8	59%	0.588	51%	0.513	S	S	*	.			trans	94.4	142.4	141.9	0	0	0	0	0	117.2	T419	G417-T419 PolarHBondContact O-N 3.39Å
418	Q	46.5	Very low	64.5	Low	186 Å²	186	93.4 Å²	93.4	87%	0.869	49%	0.49	S	S	*	.			trans	-62.9	114.7	159	-72.3	-82.6	-78.7	0	0	107.8	R420	Q418-R420 PolarHBondContact O-N 3.5Å
419	T	57.4	Low	65.2	Low	66 Å²	66	93.7 Å²	93.7	41%	0.405	49%	0.487	S	S	.	.			trans	-56.7	104.1	177.1	41	0	0	0	0	109.3	G417	G417-T419 PolarHBondContact O-N 3.39Å
420	R	70.1	Confident	65.4	Low	213 Å²	213	98.1 Å²	98.1	80%	0.804	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-63.4	123.7	-168.5	-174	-176.7	-176.7	-162	2.6	108.3	Q418 R422	Q418-R420 PolarHBondContact O-N 3.5Å; R420-R422 PolarHBondContact O-N 2.72Å
421	P	80.5	Confident	65.6	Low	59 Å²	59	95.3 Å²	95.3	38%	0.383	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-58.6	116.3	-176.8	17.6	-29	0	0	0	110.6	V400 Q401 F402	V400-P421 HydrophobicContact CB-CB 4.04Å; V400-P421 HydrophobicContact CG1-CB 4.35Å; Q401-P421 CarbonylContact O-C 3.51Å; Q401-P421 VanDerWaalsContact O-CA 3.27Å; Q401-P421 WeakPolarHBondContact O-CA 3.47Å; F402-P421 HydrophobicContact CD1-CB 4.08Å; F402-P421 HydrophobicContact CE1-CB 3.73Å; F402-P421 HydrophobicContact CE1-CG 4.05Å; F402-P421 HydrophobicContact CZ-CB 4.01Å; F402-P421 HydrophobicContact CZ-CG 4.49Å
422	R	87.1	Confident	65.7	Low	36 Å²	36	85.7 Å²	85.7	14%	0.136	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	139.4	177.2	-69.8	179.4	175.3	179	-2.4	108.9	D350 V400 Q401 R420 V424	D350-R422 IonicContact OD1-CZ 3.35Å; D350-R422 IonicContact OD1-NE 3.61Å; D350-R422 PolarHBondContact OD1-NE 2.99Å; D350-R422 IonicContact OD1-NH2 3.94Å; D350-R422 IonicContact OD2-CZ 2.8Å; D350-R422 IonicContact OD2-NE 3.15Å; D350-R422 IonicContact OD2-NH2 2.63Å; D350-R422 PolarHBondContact OD2-NH2 3.46Å; V400-R422 CarbonylContact C-O 3.57Å; V400-R422 WeakPolarHBondContact CA-O 3.11Å; Q401-R422 HydrophobicContact CB-CB 4.37Å; Q401-R422 PolarHBondContact N-O 3.28Å; Q401-R422 PolarHBondContact O-N 3.32Å; R420-R422 PolarHBondContact O-N 2.72Å; R422-V424 PolarHBondContact O-N 2.86Å
423	V	88.4	Confident	65.7	Low	76 Å²	76	88.1 Å²	88.1	46%	0.461	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.3	175.6	179.1	0	0	0	0	108.6	Y347 K348	Y347-V423 WeakPolarHBondContact CA-O 3.25Å; K348-V423 HydrophobicContact CB-CB 4.36Å; K348-V423 PolarHBondContact N-O 3.11Å
424	V	90.6	Very high	66.7	Low	6 Å²	6	93.5 Å²	93.5	4%	0.036	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.5	175.9	173.2	0	0	0	0	109.2	W345 F346 Y358 L366 I391 I399 Q401 R422	W345-V424 HydrophobicContact CE3-CG1 3.62Å; W345-V424 HydrophobicContact CZ3-CG1 3.8Å; F346-V424 WeakPolarHBondContact O-CA 3.41Å; Y358-V424 HydrophobicContact CE2-CG1 4.12Å; Y358-V424 HydrophobicContact CE2-CG2 4.29Å; Y358-V424 WeakPolarHBondContact OH-CG2 3.44Å; L366-V424 HydrophobicContact CD2-CG1 4.14Å; I391-V424 HydrophobicContact CD1-CG2 4.43Å; I399-V424 HydrophobicContact CB-CB 4.16Å; I399-V424 HydrophobicContact CB-CG1 4.39Å; I399-V424 HydrophobicContact CG2-CB 3.87Å; I399-V424 HydrophobicContact CG2-CG1 3.89Å; I399-V424 PolarHBondContact O-N 3.05Å; Q401-V424 HydrophobicContact CB-CG2 3.64Å; R422-V424 PolarHBondContact O-N 2.86Å
425	K	89.2	Confident	68.5	Low	23 Å²	23	91.5 Å²	91.5	10%	0.1	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.9	-176.4	177.4	170.6	169.8	168.4	0	110.6	W345 F346 F355 D429	W345-K425 WeakPolarHBondContact CA-O 3.45Å; F346-K425 PolarHBondContact N-O 2.71Å; F346-K425 PolarHBondContact O-N 3.49Å; F355-K425 HydrophobicContact CD1-CB 4.04Å; F355-K425 HydrophobicContact CD1-CD 4.26Å; F355-K425 HydrophobicContact CE1-CB 3.64Å; F355-K425 HydrophobicContact CE1-CD 3.86Å; F355-K425 HydrophobicContact CE1-CG 4.4Å; F355-K425 HydrophobicContact CE2-CD 4.33Å; F355-K425 HydrophobicContact CZ-CB 4.41Å; F355-K425 HydrophobicContact CZ-CD 3.89Å; K425-D429 VanDerWaalsContact CE-CG 3.45Å; K425-D429 WeakPolarHBondContact CE-OD2 3.46Å; K425-D429 IonicContact NZ-OD2 2.68Å; K425-D429 PolarHBondContact NZ-OD2 2.69Å
426	R	90.4	Very high	70.5	Confident	53 Å²	53	88.5 Å²	88.5	20%	0.2	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.4	175.7	-176.9	179.9	179.1	-102.2	11.5	109.4	E267 V269 W345 E367 Y370	E267-R426 PolarHBondContact O-NH1 2.69Å; E267-R426 PolarHBondContact O-NH2 2.96Å; V269-R426 HydrophobicContact CB-CG 4.27Å; V269-R426 HydrophobicContact CG2-CG 4.29Å; V269-R426 VanDerWaalsContact N-NH2 3.15Å; W345-R426 HydrophobicContact CD2-CB 4.07Å; W345-R426 HydrophobicContact CD2-CG 4.19Å; W345-R426 HydrophobicContact CE3-CB 3.9Å; W345-R426 HydrophobicContact CH2-CB 3.69Å; W345-R426 HydrophobicContact CH2-CG 4.03Å; W345-R426 HydrophobicContact CZ2-CB 3.82Å; W345-R426 HydrophobicContact CZ2-CG 3.62Å; W345-R426 HydrophobicContact CZ3-CB 3.72Å; W345-R426 HydrophobicContact CZ3-CG 4.44Å; E367-R426 IonicContact OE1-CZ 2.86Å; E367-R426 IonicContact OE1-NE 2.7Å; E367-R426 PolarHBondContact OE1-NE 3.26Å; E367-R426 IonicContact OE1-NH2 2.76Å; E367-R426 PolarHBondContact OE1-NH2 3.06Å; E367-R426 IonicContact OE2-CZ 3.82Å; E367-R426 IonicContact OE2-NE 3.2Å; E367-R426 PolarHBondContact OE2-NE 2.93Å; E367-R426 IonicContact OE2-NH2 2.66Å; Y370-R426 VanDerWaalsContact CE1-CD 3.42Å; Y370-R426 VanDerWaalsContact CE1-CZ 3.49Å
427	G	86.5	Confident	72.5	Confident	7 Å²	7	86.4 Å²	86.4	7%	0.072	45%	0.453	C	S	.	.	S	Bend	trans	62.8	-171.4	-178.7	0	0	0	0	0	113.5	T344 F346	T344-G427 PolarHBondContact O-N 2.59Å; F346-G427 WeakPolarHBondContact CD2-O 3.29Å; F346-G427 WeakPolarHBondContact CE2-O 3.48Å
428	I	79.6	Confident	74.3	Confident	57 Å²	57	85.5 Å²	85.5	29%	0.292	44%	0.443	S	S	.	.			trans	-101.4	135.6	174.7	-62.6	-168.1	0	0	0	107.8	H272 F274 F346 L432 I435	H272-I428 HydrophobicContact CB-CD1 3.47Å; H272-I428 VanDerWaalsContact CB-CD1 3.47Å; H272-I428 HydrophobicContact CB-CG1 4.37Å; F274-I428 HydrophobicContact CE2-CD1 4Å; F274-I428 HydrophobicContact CZ-CD1 3.82Å; F346-I428 HydrophobicContact CE2-CG1 4.01Å; F346-I428 HydrophobicContact CZ-CD1 4.33Å; F346-I428 HydrophobicContact CZ-CG1 3.99Å; I428-L432 HydrophobicContact CB-CD1 3.96Å; I428-L432 HydrophobicContact CG1-CD1 3.99Å; I428-L432 HydrophobicContact CG2-CB 4.25Å; I428-L432 HydrophobicContact CG2-CD1 3.7Å; I428-I435 HydrophobicContact CD1-CD1 3.63Å; I428-I435 HydrophobicContact CG2-CD1 3.79Å
429	D	66.9	Low	76.2	Confident	85 Å²	85	77.8 Å²	77.8	46%	0.455	41%	0.407	S	S	.	.			trans	-100.9	157.8	164.7	-56.3	-41.2	0	0	0	106.8	K425 N431 L432	K425-D429 VanDerWaalsContact CE-CG 3.45Å; K425-D429 WeakPolarHBondContact CE-OD2 3.46Å; K425-D429 IonicContact NZ-OD2 2.68Å; K425-D429 PolarHBondContact NZ-OD2 2.69Å; D429-N431 PolarHBondContact O-N 2.88Å; D429-L432 PolarHBondContact O-N 2.81Å
430	D	55.9	Low	77.3	Confident	167 Å²	167	79.9 Å²	79.9	89%	0.893	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-4	168.6	-33.7	-37.8	0	0	0	115.6
431	N	52.7	Low	77.9	Confident	146 Å²	146	73.1 Å²	73.1	78%	0.781	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	18.2	-179.5	-58.2	-85.4	0	0	0	112.9	D429	D429-N431 PolarHBondContact O-N 2.88Å
432	L	55.9	Low	78.3	Confident	28 Å²	28	75.8 Å²	75.8	15%	0.147	41%	0.405	C	S	.	.	S	Bend	trans	-82.8	152.6	155.1	-82.8	152.9	0	0	0	108.6	F355 I428 D429 E434	F355-L432 HydrophobicContact CB-CD2 3.85Å; F355-L432 HydrophobicContact CD2-CD2 3.51Å; F355-L432 HydrophobicContact CE2-CD2 4.38Å; F355-L432 HydrophobicContact CG-CD2 3.98Å; I428-L432 HydrophobicContact CB-CD1 3.96Å; I428-L432 HydrophobicContact CG1-CD1 3.99Å; I428-L432 HydrophobicContact CG2-CB 4.25Å; I428-L432 HydrophobicContact CG2-CD1 3.7Å; D429-L432 PolarHBondContact O-N 2.81Å; L432-E434 PolarHBondContact O-N 3.39Å
433	D	56.8	Low	78.6	Confident	115 Å²	115	74.8 Å²	74.8	62%	0.615	40%	0.403	S	S	*	.	S	Bend	trans	-50.9	131.2	-173.7	-50.1	-76.2	0	0	0	111.1	I435	D433-I435 PolarHBondContact O-N 3.05Å
434	E	69.8	Low	79	Confident	195 Å²	195	71.9 Å²	71.9	91%	0.911	38%	0.384	S	S	*	.			trans	-45.5	105.9	-162.5	-67.1	-179.8	160.8	0	0	112.9	L432 P436	L432-E434 PolarHBondContact O-N 3.39Å; E434-P436 WeakPolarHBondContact O-CD 3.23Å
435	I	83.4	Confident	79.2	Confident	41 Å²	41	71.6 Å²	71.6	21%	0.21	38%	0.383	C	S	.	.			trans	-70.4	125	-179.5	-58.8	179.3	0	0	0	108.3	P287 F288 V290 I428 D433	P287-I435 HydrophobicContact CB-CG1 4.33Å; P287-I435 HydrophobicContact CB-CG2 4.39Å; P287-I435 HydrophobicContact CG-CG1 4.36Å; F288-I435 WeakPolarHBondContact O-CG2 3.35Å; V290-I435 HydrophobicContact CG2-CB 4.45Å; V290-I435 HydrophobicContact CG2-CG2 3.87Å; I428-I435 HydrophobicContact CD1-CD1 3.63Å; I428-I435 HydrophobicContact CG2-CD1 3.79Å; D433-I435 PolarHBondContact O-N 3.05Å
436	P	84.9	Confident	79.6	Confident	78 Å²	78	70.5 Å²	70.5	51%	0.506	38%	0.378	S	S	.	.			trans	-60.7	139.2	-179.9	-23.7	33.9	0	0	0	111.9	S289 V290 E434 G438	S289-P436 CarbonylContact C-O 3.44Å; S289-P436 WeakPolarHBondContact CA-O 3.41Å; S289-P436 VanDerWaalsContact CB-O 3.27Å; S289-P436 WeakPolarHBondContact CB-O 3.46Å; V290-P436 PolarHBondContact N-O 2.8Å; E434-P436 WeakPolarHBondContact O-CD 3.23Å; P436-G438 VanDerWaalsContact C-N 3.29Å; P436-G438 PolarHBondContact O-N 2.88Å
437	D	83.8	Confident	80	Confident	120 Å²	120	68 Å²	68	64%	0.642	37%	0.368	S	S	*	.			trans	-57.6	-43.8	174.6	-68.5	-51.7	0	0	0	111.5	V290 F291	V290-D437 PolarHBondContact N-O 2.93Å; F291-D437 WeakPolarHBondContact CB-O 3.12Å; F291-D437 PolarHBondContact N-O 2.94Å
438	G	83.6	Confident	80.6	Confident	38 Å²	38	67.6 Å²	67.6	39%	0.392	37%	0.365	S	S	.	.			trans	126.3	177	175.3	0	0	0	0	0	114.3	S289 P436	S289-G438 WeakPolarHBondContact OG-CA 3.37Å; P436-G438 VanDerWaalsContact C-N 3.29Å; P436-G438 PolarHBondContact O-N 2.88Å
439	E	86.6	Confident	81.4	Confident	25 Å²	25	65.1 Å²	65.1	12%	0.117	35%	0.352	C	S	.	.			trans	-110.4	130.5	177.8	-80.1	-177.2	-116.5	0	0	111.5	R318 L476 R494	R318-E439 IonicContact CZ-OE1 3.08Å; R318-E439 IonicContact CZ-OE2 2.82Å; R318-E439 IonicContact NH1-OE1 2.69Å; R318-E439 PolarHBondContact NH1-OE1 2.81Å; R318-E439 IonicContact NH1-OE2 3.93Å; R318-E439 PolarHBondContact NH1-OE2 3.39Å; R318-E439 IonicContact NH2-OE1 2.79Å; R318-E439 PolarHBondContact NH2-OE1 2.86Å; R318-E439 IonicContact NH2-OE2 2.63Å; E439-L476 HydrophobicContact CG-CD1 3.6Å; E439-L476 HydrophobicContact CG-CD2 4.13Å; E439-R494 IonicContact OE2-CZ 3.45Å; E439-R494 IonicContact OE2-NE 3.73Å; E439-R494 IonicContact OE2-NH1 2.81Å; E439-R494 PolarHBondContact OE2-NH1 3.44Å
440	M	81.1	Confident	82.7	Confident	110 Å²	110	61.1 Å²	61.1	54%	0.542	33%	0.331	S	S	.	.			trans	-64	135.5	174.6	-69.4	-63.5	-70.4	0	0	110.9	Q442 S493 R494	M440-Q442 PolarHBondContact O-N 3.11Å; M440-S493 VanDerWaalsContact CB-OG 3.29Å; M440-S493 WeakPolarHBondContact CB-OG 3.44Å; M440-R494 WeakPolarHBondContact O-CD 3.4Å; M440-R494 PolarHBondContact O-NE 3.5Å
441	P	81.4	Confident	84.2	Confident	70 Å²	70	53.3 Å²	53.3	46%	0.455	29%	0.289	S	S	.	.	S	Bend	trans	-62.5	-26.8	179.4	-27	35.7	0	0	0	114.7	F291	F291-P441 HydrophobicContact CE1-CG 4.01Å; F291-P441 HydrophobicContact CZ-CG 4.03Å
442	Q	88.9	Confident	85.3	Confident	116 Å²	116	46.6 Å²	46.6	54%	0.542	25%	0.254	S	S	.	.			trans	-67.8	132.1	177.5	178.1	-178.7	-43.5	0	0	111	M440 D444 S493	M440-Q442 PolarHBondContact O-N 3.11Å; Q442-D444 PolarHBondContact NE2-OD1 3.21Å; Q442-S493 VanDerWaalsContact O-CB 3.28Å; Q442-S493 WeakPolarHBondContact O-CB 3.38Å; Q442-S493 PolarHBondContact O-OG 3.31Å
443	V	94.8	Very high	85.7	Confident	14 Å²	14	46.1 Å²	46.1	9%	0.085	25%	0.252	C	S	.	.			trans	-116.5	131.1	174.4	-178.7	0	0	0	0	109.2	H445 E496 F566 F573	V443-H445 WeakPolarHBondContact CG1-O 3.27Å; V443-E496 HydrophobicContact CB-CB 4.46Å; V443-E496 HydrophobicContact CG1-CB 3.57Å; V443-E496 HydrophobicContact CG2-CB 3.96Å; V443-F566 HydrophobicContact CB-CZ 4.13Å; V443-F566 HydrophobicContact CG1-CZ 4.11Å; V443-F566 HydrophobicContact CG2-CE2 4.41Å; V443-F566 HydrophobicContact CG2-CZ 4.2Å; V443-F573 HydrophobicContact CB-CD2 4.27Å; V443-F573 HydrophobicContact CB-CE2 4.23Å; V443-F573 HydrophobicContact CG1-CD2 4.46Å; V443-F573 HydrophobicContact CG1-CE2 3.95Å; V443-F573 WeakPolarHBondContact O-CD2 3.36Å; V443-F573 WeakPolarHBondContact O-CE2 3.3Å
444	D	95.2	Very high	85.8	Confident	15 Å²	15	40.8 Å²	40.8	8%	0.08	22%	0.224	C	C	.	.	S	Bend	trans	-91.9	-28.5	179.5	-42	-51.8	0	0	0	112.4	Q442 S493 R494 G575 Y988 M991	Q442-D444 PolarHBondContact NE2-OD1 3.21Å; D444-S493 VanDerWaalsContact CG-N 3.33Å; D444-S493 PolarHBondContact OD1-N 3.36Å; D444-S493 WeakPolarHBondContact OD2-CA 3.26Å; D444-S493 PolarHBondContact OD2-N 2.93Å; D444-R494 PolarHBondContact N-O 3.41Å; D444-R494 PolarHBondContact OD2-N 2.8Å; D444-G575 WeakPolarHBondContact O-CA 3.49Å; D444-Y988 HydrophobicContact CB-CE1 4.25Å; D444-Y988 PolarHBondContact OD2-OH 2.92Å; D444-M991 HydrophobicContact CB-CE 3.84Å; D444-M991 HydrophobicContact CB-SD 4.15Å; D444-M991 WeakPolarHBondContact O-CE 3.21Å
445	H	96.8	Very high	85.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	146.1	-178.8	-154.9	99.8	0	0	0	110.8	V443 V495 E496 G576 S578 E784 I987 M991	V443-H445 WeakPolarHBondContact CG1-O 3.27Å; H445-V495 HydrophobicContact CB-CG1 4.31Å; H445-V495 HydrophobicContact CB-CG2 4.19Å; H445-V495 WeakPolarHBondContact O-CA 3.06Å; H445-E496 PolarHBondContact O-N 3.2Å; H445-G576 WeakPolarHBondContact CA-O 3.26Å; H445-G576 PolarHBondContact CD2-O 3.08Å; H445-G576 VanDerWaalsContact CE1-CA 3.44Å; H445-G576 WeakPolarHBondContact CE1-CA 3.5Å; H445-G576 VanDerWaalsContact CG-O 3.3Å; H445-G576 WeakPolarHBondContact ND1-CA 3.35Å; H445-G576 PolarHBondContact ND1-O 2.86Å; H445-S578 WeakPolarHBondContact NE2-CB 3.15Å; H445-S578 PolarHBondContact NE2-OG 2.9Å; H445-E784 IonicContact CE1-OE2 3.88Å; H445-E784 PolarHBondContact CE1-OE2 2.89Å; H445-I987 HydrophobicContact CB-CG2 3.6Å; H445-I987 VanDerWaalsContact CG-CG2 3.48Å; H445-M991 HydrophobicContact CB-CE 3.87Å
446	L	97.8	Very high	83.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.8	179	-179.3	63.9	0	0	0	111	F448 E496 L498 F566 F573 G576 V577 S578	L446-F448 HydrophobicContact CD2-CE1 4.13Å; L446-F448 HydrophobicContact CD2-CE2 3.81Å; L446-F448 HydrophobicContact CD2-CZ 3.43Å; L446-F448 VanDerWaalsContact CD2-CZ 3.43Å; L446-F448 HydrophobicContact CG-CE2 4.28Å; L446-F448 HydrophobicContact CG-CZ 4.11Å; L446-E496 CarbonylContact C-O 3.6Å; L446-E496 HydrophobicContact CD1-CB 4.17Å; L446-E496 HydrophobicContact CD1-CG 4.15Å; L446-L498 HydrophobicContact CD1-CD1 3.91Å; L446-L498 HydrophobicContact CD1-CG 3.92Å; L446-F566 HydrophobicContact CB-CE1 4.5Å; L446-F566 HydrophobicContact CD1-CD2 3.97Å; L446-F566 HydrophobicContact CD1-CE1 4.45Å; L446-F566 HydrophobicContact CD1-CE2 3.91Å; L446-F566 HydrophobicContact CD1-CG 4.27Å; L446-F566 HydrophobicContact CD1-CZ 4.17Å; L446-F566 HydrophobicContact CD2-CB 4.26Å; L446-F566 HydrophobicContact CD2-CD1 3.59Å; L446-F566 HydrophobicContact CD2-CD2 4.34Å; L446-F566 HydrophobicContact CD2-CE1 3.95Å; L446-F566 HydrophobicContact CD2-CG 3.79Å; L446-F566 HydrophobicContact CD2-CZ 4.48Å; L446-F573 HydrophobicContact CB-CZ 4.01Å; L446-G576 PolarHBondContact N-O 2.98Å; L446-V577 HydrophobicContact CB-CG1 4.33Å; L446-V577 HydrophobicContact CB-CG2 4.4Å; L446-V577 HydrophobicContact CD2-CG1 4.29Å; L446-V577 HydrophobicContact CG-CG1 4.4Å; L446-V577 CarbonylContact O-C 3.47Å; L446-V577 WeakPolarHBondContact O-CA 3.41Å; L446-S578 PolarHBondContact O-N 2.77Å
447	V	98.3	Very high	82.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.3	176.5	-173.5	0	0	0	0	110.3	V449 V495 E496 F497 L498 S578 A580 I987	V447-V449 HydrophobicContact CG1-CG2 4.4Å; V447-V495 HydrophobicContact CG2-CG1 3.64Å; V447-E496 PolarHBondContact N-O 2.64Å; V447-F497 HydrophobicContact CB-CD1 3.62Å; V447-F497 HydrophobicContact CB-CE1 3.91Å; V447-F497 HydrophobicContact CB-CG 4.36Å; V447-F497 HydrophobicContact CG1-CD1 3.91Å; V447-F497 HydrophobicContact CG1-CE1 4.11Å; V447-F497 HydrophobicContact CG2-CD1 4.04Å; V447-F497 HydrophobicContact CG2-CE1 3.81Å; V447-F497 HydrophobicContact CG2-CZ 4.43Å; V447-F497 CarbonylContact O-C 3.49Å; V447-F497 WeakPolarHBondContact O-CA 3.32Å; V447-L498 PolarHBondContact O-N 3.43Å; V447-S578 WeakPolarHBondContact CA-O 3.42Å; V447-A580 HydrophobicContact CG1-CB 3.82Å; V447-I987 HydrophobicContact CG2-CD1 3.76Å
448	F	98.1	Very high	81	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.5	169.9	-64.4	-68.7	0	0	0	110.6	L446 L498 V500 I559 L562 H563 V577 S578 V579 A580 F781	L446-F448 HydrophobicContact CD2-CE1 4.13Å; L446-F448 HydrophobicContact CD2-CE2 3.81Å; L446-F448 HydrophobicContact CD2-CZ 3.43Å; L446-F448 VanDerWaalsContact CD2-CZ 3.43Å; L446-F448 HydrophobicContact CG-CE2 4.28Å; L446-F448 HydrophobicContact CG-CZ 4.11Å; F448-L498 HydrophobicContact CD1-CB 4.06Å; F448-L498 HydrophobicContact CE1-CB 4.24Å; F448-L498 HydrophobicContact CE1-CD1 4.02Å; F448-V500 HydrophobicContact CB-CG2 3.88Å; F448-V500 HydrophobicContact CD1-CG2 4.4Å; F448-I559 HydrophobicContact CD2-CG2 4.16Å; F448-I559 HydrophobicContact CE2-CG2 4.5Å; F448-I559 HydrophobicContact CG-CG2 4.39Å; F448-L562 HydrophobicContact CD1-CB 4.23Å; F448-L562 HydrophobicContact CE1-CB 3.65Å; F448-H563 HydrophobicContact CE2-CB 4.09Å; F448-H563 HydrophobicContact CZ-CB 3.71Å; F448-V577 HydrophobicContact CD2-CG1 3.98Å; F448-V577 HydrophobicContact CE2-CG1 3.64Å; F448-S578 PolarHBondContact N-O 2.77Å; F448-V579 HydrophobicContact CB-CG1 4.34Å; F448-V579 CarbonylContact O-C 3.5Å; F448-V579 WeakPolarHBondContact O-CA 3.37Å; F448-A580 PolarHBondContact O-N 2.88Å; F448-F781 HydrophobicContact CD2-CE1 4.25Å; F448-F781 HydrophobicContact CD2-CE2 4.16Å; F448-F781 AromaticContact CD2-CZ 3.52Å; F448-F781 HydrophobicContact CD2-CZ 3.52Å; F448-F781 AromaticContact CE2-CE1 3.77Å; F448-F781 HydrophobicContact CE2-CE1 3.77Å; F448-F781 HydrophobicContact CE2-CE2 4.12Å; F448-F781 AromaticContact CE2-CZ 3.44Å; F448-F781 HydrophobicContact CE2-CZ 3.44Å; F448-F781 VanDerWaalsContact CE2-CZ 3.44Å
449	V	96.6	Very high	79.6	Confident	5 Å²	5	28.4 Å²	28.4	3%	0.03	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	111.4	-175.9	-173.7	0	0	0	0	110.2	V447 I464 V468 F497 L498 V500 A580 W974	V447-V449 HydrophobicContact CG1-CG2 4.4Å; V449-I464 HydrophobicContact CG1-CD1 4.39Å; V449-V468 HydrophobicContact CB-CG2 3.99Å; V449-V468 HydrophobicContact CG1-CG2 3.83Å; V449-V468 HydrophobicContact CG2-CG1 4.47Å; V449-V468 HydrophobicContact CG2-CG2 4.18Å; V449-F497 HydrophobicContact CG2-CB 4.24Å; V449-F497 HydrophobicContact CG2-CD1 4.22Å; V449-L498 PolarHBondContact N-O 2.79Å; V449-V500 WeakPolarHBondContact O-CB 3.23Å; V449-V500 PolarHBondContact O-N 3.06Å; V449-A580 CarbonylContact C-O 3.55Å; V449-A580 WeakPolarHBondContact CA-O 3.46Å; V449-A580 HydrophobicContact CG2-CB 4.44Å; V449-W974 HydrophobicContact CG1-CH2 3.68Å; V449-W974 HydrophobicContact CG1-CZ3 3.69Å
450	V	93.4	Very high	78	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.6	178.8	-175.5	0	0	0	0	109.5	V500 V555 I559 A580 G581 H582 L589	V450-V500 HydrophobicContact CG2-CB 3.94Å; V450-V500 HydrophobicContact CG2-CG1 4.22Å; V450-V500 HydrophobicContact CG2-CG2 3.81Å; V450-V555 HydrophobicContact CG1-CG1 4.04Å; V450-V555 HydrophobicContact CG1-CG2 4.48Å; V450-V555 HydrophobicContact CG2-CG1 4.16Å; V450-I559 HydrophobicContact CG2-CD1 3.97Å; V450-A580 PolarHBondContact N-O 2.82Å; V450-G581 CarbonylContact O-C 3.57Å; V450-G581 WeakPolarHBondContact O-CA 3.44Å; V450-H582 PolarHBondContact O-N 2.69Å; V450-L589 HydrophobicContact CB-CD1 3.92Å; V450-L589 HydrophobicContact CB-CG 4.13Å; V450-L589 HydrophobicContact CG2-CD1 3.82Å; V450-L589 HydrophobicContact CG2-CD2 3.91Å; V450-L589 HydrophobicContact CG2-CG 3.88Å
451	H	87.7	Confident	77.2	Confident	3 Å²	3	35.9 Å²	35.9	1%	0.014	18%	0.182	C	C	.	.			trans	-86.8	178.8	172	69.5	103.4	0	0	0	111.9	G454 I464 W502 G585	H451-G454 PolarHBondContact CE1-O 2.92Å; H451-G454 VanDerWaalsContact CE1-O 3.29Å; H451-I464 HydrophobicContact CB-CB 4.49Å; H451-I464 HydrophobicContact CB-CD1 3.85Å; H451-I464 HydrophobicContact CB-CG1 4.08Å; H451-W502 AromaticContact NE2-CD1 3.88Å; H451-W502 AromaticContact NE2-NE1 3.95Å; H451-W502 PolarHBondContact O-NE1 2.7Å; H451-G585 VanDerWaalsContact O-CA 3.31Å; H451-G585 WeakPolarHBondContact O-CA 3.33Å
452	G	76.5	Confident	76.8	Confident	5 Å²	5	33.7 Å²	33.7	5%	0.052	16%	0.164	C	C	.	.			trans	-67.1	-156.1	171.4	0	0	0	0	0	114.2	W502 H582	G452-W502 WeakPolarHBondContact O-CZ2 3.46Å; G452-W502 PolarHBondContact O-NE1 3.44Å; G452-H582 PolarHBondContact N-O 3.27Å
453	I	64.3	Low	76.5	Confident	18 Å²	18	29.9 Å²	29.9	9%	0.092	15%	0.151	C	C	.	.	S	Bend	trans	-80.9	179.9	166.5	-75.4	163	0	0	0	107.3	W502 D538 F541 I551 L584	I453-W502 HydrophobicContact CD1-CH2 4.14Å; I453-W502 HydrophobicContact CG1-CH2 3.32Å; I453-W502 HydrophobicContact CG1-CZ2 3.84Å; I453-W502 HydrophobicContact CG1-CZ3 4.24Å; I453-D538 VanDerWaalsContact CA-OD2 3.31Å; I453-D538 WeakPolarHBondContact CA-OD2 3.41Å; I453-D538 HydrophobicContact CB-CB 3.94Å; I453-D538 VanDerWaalsContact CB-CG 3.44Å; I453-D538 WeakPolarHBondContact CB-OD2 3.27Å; I453-D538 HydrophobicContact CD1-CB 4.39Å; I453-D538 PolarHBondContact N-OD2 3.32Å; I453-F541 HydrophobicContact CD1-CB 3.86Å; I453-I551 HydrophobicContact CD1-CD1 3.85Å; I453-L584 HydrophobicContact CB-CD2 4.5Å; I453-L584 HydrophobicContact CD1-CD2 3.63Å; I453-L584 HydrophobicContact CG1-CD2 3.89Å
454	G	59.7	Low	76.1	Confident	4 Å²	4	29.3 Å²	29.3	4%	0.041	15%	0.147	C	C	.	.	S	Bend	trans	83.2	154.6	-178.2	0	0	0	0	0	113.7	H451 V456 H503	H451-G454 PolarHBondContact CE1-O 2.92Å; H451-G454 VanDerWaalsContact CE1-O 3.29Å; G454-V456 VanDerWaalsContact C-N 3.34Å; G454-H503 VanDerWaalsContact C-ND1 3.31Å; G454-H503 PolarHBondContact N-CD2 2.63Å; G454-H503 VanDerWaalsContact N-CD2 3.31Å; G454-H503 PolarHBondContact N-NE2 3.27Å; G454-H503 PolarHBondContact O-ND1 2.61Å
455	P	54	Low	75.7	Confident	79 Å²	79	29.6 Å²	29.6	51%	0.513	15%	0.149	S	C	.	.	S	Bend	trans	-84.8	-8.3	175.9	34.5	-33.6	0	0	0	113.3
456	V	56.7	Low	75.3	Confident	30 Å²	30	32.1 Å²	32.1	18%	0.182	16%	0.16	C	C	.	.			trans	-108	142	-173.6	165.2	0	0	0	0	110.4	G454 D458 F461 R462	G454-V456 VanDerWaalsContact C-N 3.34Å; V456-D458 VanDerWaalsContact CG1-O 3.27Å; V456-D458 WeakPolarHBondContact CG1-O 3.25Å; V456-F461 HydrophobicContact CG2-CB 4.13Å; V456-F461 HydrophobicContact CG2-CD1 4.41Å; V456-R462 CarbonylContact C-O 3.51Å; V456-R462 WeakPolarHBondContact CA-O 3.18Å
457	C	53.8	Low	74.9	Confident	6 Å²	6	32.1 Å²	32.1	4%	0.041	16%	0.16	C	C	.	.			trans	-128.4	1.5	-178.5	-69.4	0	0	0	0	114.9	R462 I464 C467 W974	C457-R462 PolarHBondContact N-O 3.11Å; C457-I464 HydrophobicContact CB-CD1 4.39Å; C457-C467 HydrophobicContact CB-CB 4.29Å; C457-W974 PolarHBondContact O-NE1 3.28Å
458	D	55.1	Low	74.6	Confident	13 Å²	13	32.1 Å²	32.1	7%	0.07	16%	0.161	C	C	.	.	S	Bend	trans	-150.9	175.9	174.7	80.4	-6.9	0	0	0	113.8	V456 R460 F461 R462	V456-D458 VanDerWaalsContact CG1-O 3.27Å; V456-D458 WeakPolarHBondContact CG1-O 3.25Å; D458-R460 PolarHBondContact O-N 3.46Å; D458-R460 VanDerWaalsContact O-N 3.16Å; D458-R460 VanDerWaalsContact OD1-CA 3.31Å; D458-R460 WeakPolarHBondContact OD1-CA 3.14Å; D458-R460 WeakPolarHBondContact OD1-CB 3.23Å; D458-R460 PolarHBondContact OD1-N 2.84Å; D458-F461 PolarHBondContact O-N 3.23Å; D458-F461 PolarHBondContact OD1-N 3.37Å; D458-R462 WeakPolarHBondContact OD1-CB 3.38Å; D458-R462 PolarHBondContact OD1-N 3.03Å; D458-R462 IonicContact OD1-NE 3.99Å; D458-R462 IonicContact OD2-CZ 2.69Å; D458-R462 IonicContact OD2-NE 3.01Å; D458-R462 PolarHBondContact OD2-NE 2.9Å; D458-R462 IonicContact OD2-NH2 3.26Å; D458-R462 PolarHBondContact OD2-NH2 3.41Å
459	L	53.8	Low	74.3	Confident	83 Å²	83	34.2 Å²	34.2	44%	0.435	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-3.3	177.2	-65.4	-177	0	0	0	114.8	L967 Q968 L971	L459-L967 HydrophobicContact CD1-CG 4.46Å; L459-L967 HydrophobicContact CD2-CD1 3.73Å; L459-L967 HydrophobicContact CD2-CD2 4.17Å; L459-L967 HydrophobicContact CD2-CG 3.74Å; L459-Q968 HydrophobicContact CD1-CB 4.08Å; L459-Q968 HydrophobicContact CD1-CG 4.28Å; L459-L971 HydrophobicContact CD2-CD1 3.49Å; L459-L971 VanDerWaalsContact CD2-CD1 3.49Å; L459-L971 HydrophobicContact CG-CD1 3.69Å
460	R	55	Low	74	Confident	153 Å²	153	36.2 Å²	36.2	58%	0.577	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	6.9	177.2	-58.8	169.6	56.6	-166.3	-6.9	111.5	D458 R462	D458-R460 PolarHBondContact O-N 3.46Å; D458-R460 VanDerWaalsContact O-N 3.16Å; D458-R460 VanDerWaalsContact OD1-CA 3.31Å; D458-R460 WeakPolarHBondContact OD1-CA 3.14Å; D458-R460 WeakPolarHBondContact OD1-CB 3.23Å; D458-R460 PolarHBondContact OD1-N 2.84Å; R460-R462 HydrophobicContact CB-CG 4.05Å; R460-R462 PolarHBondContact O-N 2.67Å
461	F	63.1	Low	74	Confident	139 Å²	139	36.6 Å²	36.6	61%	0.61	18%	0.184	S	C	*	.			trans	62.5	28	-177.8	-53.1	-96.7	0	0	0	113.2	V456 D458 H530	V456-F461 HydrophobicContact CG2-CB 4.13Å; V456-F461 HydrophobicContact CG2-CD1 4.41Å; D458-F461 PolarHBondContact O-N 3.23Å; D458-F461 PolarHBondContact OD1-N 3.37Å; F461-H530 AromaticContact CD1-NE2 3.56Å; F461-H530 AromaticContact CE1-CD2 3.55Å; F461-H530 AromaticContact CE1-CE1 3.79Å; F461-H530 AromaticContact CE1-NE2 3.12Å; F461-H530 WeakPolarHBondContact CE1-NE2 3.3Å
462	R	73.5	Confident	74.3	Confident	24 Å²	24	36.6 Å²	36.6	9%	0.091	18%	0.184	C	C	.	.			trans	-83.9	157.2	-179.5	-68.4	-170.8	-63.3	162	-0.6	113.1	V456 C457 D458 R460 E466 D470 E975	V456-R462 CarbonylContact C-O 3.51Å; V456-R462 WeakPolarHBondContact CA-O 3.18Å; C457-R462 PolarHBondContact N-O 3.11Å; D458-R462 WeakPolarHBondContact OD1-CB 3.38Å; D458-R462 PolarHBondContact OD1-N 3.03Å; D458-R462 IonicContact OD1-NE 3.99Å; D458-R462 IonicContact OD2-CZ 2.69Å; D458-R462 IonicContact OD2-NE 3.01Å; D458-R462 PolarHBondContact OD2-NE 2.9Å; D458-R462 IonicContact OD2-NH2 3.26Å; D458-R462 PolarHBondContact OD2-NH2 3.41Å; R460-R462 HydrophobicContact CB-CG 4.05Å; R460-R462 PolarHBondContact O-N 2.67Å; R462-E466 HydrophobicContact CB-CB 4.24Å; R462-E466 WeakPolarHBondContact CB-OE2 3.24Å; R462-D470 IonicContact CZ-OD2 2.8Å; R462-D470 VanDerWaalsContact NH1-CG 3.35Å; R462-D470 IonicContact NH1-OD1 3.47Å; R462-D470 PolarHBondContact NH1-OD1 2.8Å; R462-D470 IonicContact NH1-OD2 3.55Å; R462-D470 PolarHBondContact NH1-OD2 2.71Å; R462-D470 IonicContact NH2-OD2 2.85Å; R462-D470 PolarHBondContact NH2-OD2 2.59Å; R462-E975 IonicContact NH2-OE1 2.85Å
463	S	82.1	Confident	75	Confident	37 Å²	37	41 Å²	41	26%	0.259	21%	0.21	S	C	.	.			trans	-73.3	163.1	176.1	69.7	0	0	0	0	112.6	I465 E466 C467	S463-I465 PolarHBondContact O-N 3.05Å; S463-E466 PolarHBondContact O-N 3.46Å; S463-E466 PolarHBondContact OG-N 3.4Å; S463-C467 PolarHBondContact O-N 3.44Å; S463-C467 VanDerWaalsContact O-N 3.15Å; S463-C467 PolarHBondContact O-SG 2.87Å
464	I	85.6	Confident	76.4	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-31	172.4	-173	53.4	0	0	0	112.8	V449 H451 C457 C467 V468 P499 W974	V449-I464 HydrophobicContact CG1-CD1 4.39Å; H451-I464 HydrophobicContact CB-CB 4.49Å; H451-I464 HydrophobicContact CB-CD1 3.85Å; H451-I464 HydrophobicContact CB-CG1 4.08Å; C457-I464 HydrophobicContact CB-CD1 4.39Å; I464-C467 PolarHBondContact O-N 2.85Å; I464-V468 HydrophobicContact CD1-CG2 3.89Å; I464-V468 HydrophobicContact CG1-CG2 4.21Å; I464-V468 WeakPolarHBondContact O-CB 3.48Å; I464-V468 WeakPolarHBondContact O-CG2 3.34Å; I464-V468 PolarHBondContact O-N 3.47Å; I464-P499 HydrophobicContact CG1-CB 3.99Å; I464-P499 HydrophobicContact CG2-CB 4.11Å; I464-W974 HydrophobicContact CD1-CH2 3.71Å; I464-W974 HydrophobicContact CD1-CZ2 3.77Å; I464-W974 HydrophobicContact CD1-CZ3 4.39Å
465	I	88.6	Confident	78	Confident	21 Å²	21	41.1 Å²	41.1	11%	0.108	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-51.2	178.8	-61.8	156	0	0	0	109.3	W333 S463 C467 V468 D469 P499	W333-I465 HydrophobicContact CB-CD1 4.26Å; W333-I465 VanDerWaalsContact CD1-CD1 3.48Å; W333-I465 HydrophobicContact CD2-CD1 4.16Å; W333-I465 HydrophobicContact CD2-CG1 4.18Å; W333-I465 HydrophobicContact CD2-CG2 4.32Å; W333-I465 HydrophobicContact CG-CD1 3.72Å; W333-I465 HydrophobicContact CG-CG1 4.19Å; W333-I465 HydrophobicContact CH2-CG2 4.2Å; W333-I465 HydrophobicContact CZ2-CG2 3.66Å; S463-I465 PolarHBondContact O-N 3.05Å; I465-C467 VanDerWaalsContact C-N 3.33Å; I465-C467 PolarHBondContact O-N 2.69Å; I465-V468 CarbonylContact O-C 3.58Å; I465-V468 PolarHBondContact O-N 3.06Å; I465-D469 PolarHBondContact O-N 2.78Å; I465-P499 HydrophobicContact CG1-CB 4.46Å; I465-P499 HydrophobicContact CG1-CG 3.98Å
466	E	87.7	Confident	79.9	Confident	52 Å²	52	39.4 Å²	39.4	24%	0.243	20%	0.197	C	C	.	.	H	α-helix	trans	-68.8	-29.8	-179.3	-63	-178.3	125.2	0	0	113.2	K277 R462 S463 D470	K277-E466 IonicContact NZ-OE1 2.67Å; K277-E466 PolarHBondContact NZ-OE1 3.33Å; R462-E466 HydrophobicContact CB-CB 4.24Å; R462-E466 WeakPolarHBondContact CB-OE2 3.24Å; S463-E466 PolarHBondContact O-N 3.46Å; S463-E466 PolarHBondContact OG-N 3.4Å; E466-D470 PolarHBondContact O-N 3.03Å
467	C	88.5	Confident	81.5	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71.4	-34.1	173.6	-62.8	0	0	0	0	112.1	C457 S463 I464 I465 F471 W974	C457-C467 HydrophobicContact CB-CB 4.29Å; S463-C467 PolarHBondContact O-N 3.44Å; S463-C467 VanDerWaalsContact O-N 3.15Å; S463-C467 PolarHBondContact O-SG 2.87Å; I464-C467 PolarHBondContact O-N 2.85Å; I465-C467 VanDerWaalsContact C-N 3.33Å; I465-C467 PolarHBondContact O-N 2.69Å; C467-F471 PolarHBondContact O-N 2.9Å; C467-W974 HydrophobicContact CB-CB 4.3Å; C467-W974 HydrophobicContact CB-CD2 3.9Å; C467-W974 HydrophobicContact CB-CG 3.78Å
468	V	92.9	Very high	83.3	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-78.4	-29.7	173.6	177.1	0	0	0	0	111.4	V449 I464 I465 F471 R472 F497 P499 W974	V449-V468 HydrophobicContact CB-CG2 3.99Å; V449-V468 HydrophobicContact CG1-CG2 3.83Å; V449-V468 HydrophobicContact CG2-CG1 4.47Å; V449-V468 HydrophobicContact CG2-CG2 4.18Å; I464-V468 HydrophobicContact CD1-CG2 3.89Å; I464-V468 HydrophobicContact CG1-CG2 4.21Å; I464-V468 WeakPolarHBondContact O-CB 3.48Å; I464-V468 WeakPolarHBondContact O-CG2 3.34Å; I464-V468 PolarHBondContact O-N 3.47Å; I465-V468 CarbonylContact O-C 3.58Å; I465-V468 PolarHBondContact O-N 3.06Å; V468-F471 PolarHBondContact O-N 3.35Å; V468-R472 WeakPolarHBondContact O-CG 3.42Å; V468-R472 PolarHBondContact O-N 2.98Å; V468-F497 HydrophobicContact CG1-CB 3.64Å; V468-P499 HydrophobicContact CB-CB 4.47Å; V468-P499 HydrophobicContact CG2-CB 4.19Å; V468-W974 HydrophobicContact CG2-CZ3 4.37Å
469	D	91.5	Very high	85.1	Confident	44 Å²	44	42.4 Å²	42.4	24%	0.235	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-50.5	170.3	-68.1	-18.7	0	0	0	111.3	I465 F471 R472 V473	I465-D469 PolarHBondContact O-N 2.78Å; D469-F471 VanDerWaalsContact C-N 3.3Å; D469-F471 PolarHBondContact O-N 3.02Å; D469-R472 PolarHBondContact O-N 3.31Å; D469-R472 IonicContact OD1-CZ 3.9Å; D469-R472 IonicContact OD1-NH1 2.72Å; D469-R472 PolarHBondContact OD1-NH1 2.8Å; D469-V473 WeakPolarHBondContact O-CG2 3.41Å; D469-V473 PolarHBondContact O-N 3.36Å
470	D	90.6	Very high	86.7	Confident	46 Å²	46	43.7 Å²	43.7	25%	0.246	21%	0.21	C	C	.	.	H	α-helix	trans	-55.4	-45.5	173.3	-73.4	-10	0	0	0	111.3	R462 E466 R472 V473 V474	R462-D470 IonicContact CZ-OD2 2.8Å; R462-D470 VanDerWaalsContact NH1-CG 3.35Å; R462-D470 IonicContact NH1-OD1 3.47Å; R462-D470 PolarHBondContact NH1-OD1 2.8Å; R462-D470 IonicContact NH1-OD2 3.55Å; R462-D470 PolarHBondContact NH1-OD2 2.71Å; R462-D470 IonicContact NH2-OD2 2.85Å; R462-D470 PolarHBondContact NH2-OD2 2.59Å; E466-D470 PolarHBondContact O-N 3.03Å; D470-R472 VanDerWaalsContact C-N 3.33Å; D470-R472 PolarHBondContact O-N 2.95Å; D470-V473 PolarHBondContact O-N 2.86Å; D470-V474 WeakPolarHBondContact O-CG2 3.42Å; D470-V474 PolarHBondContact O-N 2.88Å
471	F	93.1	Very high	88.4	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.035	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-33.9	-179.8	-162	-92.2	0	0	0	112.8	C467 V468 D469 S475 F497 W974 T979 A980 L983	C467-F471 PolarHBondContact O-N 2.9Å; V468-F471 PolarHBondContact O-N 3.35Å; D469-F471 VanDerWaalsContact C-N 3.3Å; D469-F471 PolarHBondContact O-N 3.02Å; F471-S475 VanDerWaalsContact O-CB 3.27Å; F471-S475 WeakPolarHBondContact O-CB 3.37Å; F471-S475 PolarHBondContact O-N 3.48Å; F471-S475 PolarHBondContact O-OG 2.79Å; F471-F497 HydrophobicContact CD1-CD1 4.07Å; F471-F497 AromaticContact CD1-CE1 3.93Å; F471-F497 HydrophobicContact CD1-CE1 3.93Å; F471-F497 HydrophobicContact CD1-CE2 4.39Å; F471-F497 HydrophobicContact CD1-CG 4.39Å; F471-F497 HydrophobicContact CD1-CZ 4.09Å; F471-F497 HydrophobicContact CE1-CD1 4.11Å; F471-F497 AromaticContact CE1-CE1 3.54Å; F471-F497 HydrophobicContact CE1-CE1 3.54Å; F471-F497 HydrophobicContact CE1-CE2 4.42Å; F471-F497 AromaticContact CE1-CZ 3.72Å; F471-F497 HydrophobicContact CE1-CZ 3.72Å; F471-W974 WeakPolarHBondContact CD2-O 3.48Å; F471-T979 HydrophobicContact CE2-CG2 4.22Å; F471-T979 HydrophobicContact CZ-CG2 4.5Å; F471-A980 HydrophobicContact CD2-CB 4.46Å; F471-A980 HydrophobicContact CE1-CB 4.21Å; F471-A980 HydrophobicContact CE2-CB 3.86Å; F471-A980 HydrophobicContact CZ-CB 3.72Å; F471-L983 HydrophobicContact CE1-CD2 4.17Å; F471-L983 HydrophobicContact CZ-CD2 3.99Å
472	R	94.3	Very high	89.6	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.015	18%	0.178	C	C	.	.	H	α-helix	trans	-67.8	-46.8	171.8	-71.6	-165.7	-145.6	83.4	-5.3	111.6	R318 V468 D469 D470 V474 S475 L476 E496 F497	R318-R472 VanDerWaalsContact NH1-CD 3.31Å; V468-R472 WeakPolarHBondContact O-CG 3.42Å; V468-R472 PolarHBondContact O-N 2.98Å; D469-R472 PolarHBondContact O-N 3.31Å; D469-R472 IonicContact OD1-CZ 3.9Å; D469-R472 IonicContact OD1-NH1 2.72Å; D469-R472 PolarHBondContact OD1-NH1 2.8Å; D470-R472 VanDerWaalsContact C-N 3.33Å; D470-R472 PolarHBondContact O-N 2.95Å; R472-V474 VanDerWaalsContact C-N 3.31Å; R472-V474 PolarHBondContact O-N 2.81Å; R472-S475 WeakPolarHBondContact O-CB 3.4Å; R472-S475 PolarHBondContact O-N 3.3Å; R472-L476 VanDerWaalsContact O-CG 3.29Å; R472-L476 WeakPolarHBondContact O-CG 3.45Å; R472-L476 PolarHBondContact O-N 2.92Å; R472-E496 VanDerWaalsContact CD-OE1 3.3Å; R472-E496 WeakPolarHBondContact CD-OE1 3.41Å; R472-E496 IonicContact CZ-OE1 2.77Å; R472-E496 IonicContact NE-OE1 3.44Å; R472-E496 PolarHBondContact NE-OE1 3.33Å; R472-F497 HydrophobicContact CG-CB 4.13Å; R472-F497 HydrophobicContact CG-CD2 4.05Å; R472-F497 PolarHBondContact NE-O 3.42Å; R472-F497 PolarHBondContact NH2-O 2.98Å
473	V	91.8	Very high	90.4	Very high	98 Å²	98	32.8 Å²	32.8	59%	0.594	17%	0.174	S	C	*	.	H	α-helix	trans	-58.1	-45.4	177.6	172.8	0	0	0	0	110.7	D469 D470 L476 K477	D469-V473 WeakPolarHBondContact O-CG2 3.41Å; D469-V473 PolarHBondContact O-N 3.36Å; D470-V473 PolarHBondContact O-N 2.86Å; V473-L476 PolarHBondContact O-N 3.35Å; V473-K477 WeakPolarHBondContact O-CB 3.46Å; V473-K477 PolarHBondContact O-N 2.87Å; V473-K477 VanDerWaalsContact O-N 3.11Å
474	V	93	Very high	90.8	Very high	21 Å²	21	36 Å²	36	13%	0.127	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-45.4	173.1	169.8	0	0	0	0	111.2	D470 R472 K477 L478 E977 A980	D470-V474 WeakPolarHBondContact O-CG2 3.42Å; D470-V474 PolarHBondContact O-N 2.88Å; R472-V474 VanDerWaalsContact C-N 3.31Å; R472-V474 PolarHBondContact O-N 2.81Å; V474-K477 PolarHBondContact O-N 3.21Å; V474-L478 HydrophobicContact CG1-CD1 3.75Å; V474-L478 HydrophobicContact CG1-CG 4.48Å; V474-L478 WeakPolarHBondContact O-CB 3.31Å; V474-L478 WeakPolarHBondContact O-CD1 3.18Å; V474-L478 VanDerWaalsContact O-CG 3.23Å; V474-L478 WeakPolarHBondContact O-CG 2.89Å; V474-L478 PolarHBondContact O-N 3.19Å; V474-E977 HydrophobicContact CG1-CB 4.42Å; V474-E977 HydrophobicContact CG1-CG 4Å; V474-A980 HydrophobicContact CG1-CB 3.64Å
475	S	94.4	Very high	91	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-41	-179.8	-64.6	0	0	0	0	113.4	F471 R472 L478 L479	F471-S475 VanDerWaalsContact O-CB 3.27Å; F471-S475 WeakPolarHBondContact O-CB 3.37Å; F471-S475 PolarHBondContact O-N 3.48Å; F471-S475 PolarHBondContact O-OG 2.79Å; R472-S475 WeakPolarHBondContact O-CB 3.4Å; R472-S475 PolarHBondContact O-N 3.3Å; S475-L478 PolarHBondContact O-N 3.4Å; S475-L479 PolarHBondContact O-N 2.85Å
476	L	92.3	Very high	91.1	Very high	43 Å²	43	41.7 Å²	41.7	23%	0.225	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-43	177.9	-67.9	161.2	0	0	0	111.6	E439 R472 V473 L478 L479 Q480 R494	E439-L476 HydrophobicContact CG-CD1 3.6Å; E439-L476 HydrophobicContact CG-CD2 4.13Å; R472-L476 VanDerWaalsContact O-CG 3.29Å; R472-L476 WeakPolarHBondContact O-CG 3.45Å; R472-L476 PolarHBondContact O-N 2.92Å; V473-L476 PolarHBondContact O-N 3.35Å; L476-L478 VanDerWaalsContact C-N 3.29Å; L476-L478 PolarHBondContact O-N 3.07Å; L476-L479 WeakPolarHBondContact O-CB 3.2Å; L476-L479 PolarHBondContact O-N 2.88Å; L476-Q480 WeakPolarHBondContact O-CG 3.41Å; L476-Q480 PolarHBondContact O-N 3.28Å; L476-R494 HydrophobicContact CD2-CB 4.06Å
477	K	91.4	Very high	91.2	Very high	106 Å²	106	41.8 Å²	41.8	46%	0.461	21%	0.211	S	C	.	.	H	α-helix	trans	-59.7	-38	172.1	-178.8	-168.1	179.9	-165.4	0	112.2	V473 V474 T481 E977	V473-K477 WeakPolarHBondContact O-CB 3.46Å; V473-K477 PolarHBondContact O-N 2.87Å; V473-K477 VanDerWaalsContact O-N 3.11Å; V474-K477 PolarHBondContact O-N 3.21Å; K477-T481 WeakPolarHBondContact O-CG2 3.49Å; K477-T481 PolarHBondContact O-N 3.39Å; K477-T481 PolarHBondContact O-OG1 3.19Å; K477-E977 IonicContact NZ-OE1 2.79Å; K477-E977 PolarHBondContact NZ-OE1 2.69Å
478	L	91.8	Very high	91.2	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-72.3	-33.8	176	-71.2	166.5	0	0	0	112.6	V474 S475 L476 T481 H482 H849 E977 A980 L981 L984	V474-L478 HydrophobicContact CG1-CD1 3.75Å; V474-L478 HydrophobicContact CG1-CG 4.48Å; V474-L478 WeakPolarHBondContact O-CB 3.31Å; V474-L478 WeakPolarHBondContact O-CD1 3.18Å; V474-L478 VanDerWaalsContact O-CG 3.23Å; V474-L478 WeakPolarHBondContact O-CG 2.89Å; V474-L478 PolarHBondContact O-N 3.19Å; S475-L478 PolarHBondContact O-N 3.4Å; L476-L478 VanDerWaalsContact C-N 3.29Å; L476-L478 PolarHBondContact O-N 3.07Å; L478-T481 WeakPolarHBondContact CA-OG1 3.25Å; L478-T481 PolarHBondContact O-N 2.86Å; L478-T481 PolarHBondContact O-OG1 2.81Å; L478-H482 WeakPolarHBondContact O-CB 3.43Å; L478-H482 PolarHBondContact O-N 2.89Å; L478-H849 HydrophobicContact CD2-CB 4.2Å; L478-E977 WeakPolarHBondContact CD1-O 3.47Å; L478-A980 HydrophobicContact CD1-CB 3.59Å; L478-L981 HydrophobicContact CD1-CB 3.99Å; L478-L981 HydrophobicContact CD2-CB 4.26Å; L478-L981 HydrophobicContact CD2-CD1 4.44Å; L478-L984 HydrophobicContact CB-CD1 3.82Å; L478-L984 HydrophobicContact CD1-CD1 4.49Å
479	L	91.6	Very high	91.1	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-49.8	170.2	-80.3	170.3	0	0	0	111.7	S475 L476 T481 F483 K484 I492 R494 L984 Y988	S475-L479 PolarHBondContact O-N 2.85Å; L476-L479 WeakPolarHBondContact O-CB 3.2Å; L476-L479 PolarHBondContact O-N 2.88Å; L479-T481 PolarHBondContact O-N 2.87Å; L479-F483 HydrophobicContact CD2-CB 4.11Å; L479-F483 HydrophobicContact CD2-CD2 4.02Å; L479-F483 HydrophobicContact CD2-CG 4.21Å; L479-F483 CarbonylContact O-C 3.55Å; L479-F483 WeakPolarHBondContact O-CA 3.36Å; L479-F483 PolarHBondContact O-N 3.38Å; L479-K484 PolarHBondContact O-N 3.43Å; L479-I492 HydrophobicContact CD2-CD1 3.65Å; L479-R494 HydrophobicContact CD1-CB 4.23Å; L479-L984 HydrophobicContact CG-CD1 4.42Å; L479-Y988 HydrophobicContact CD2-CD2 4.48Å; L479-Y988 HydrophobicContact CD2-CE2 3.57Å
480	Q	88.8	Confident	90.9	Very high	109 Å²	109	51.4 Å²	51.4	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-62.1	-21.4	178.3	-69.7	179.4	-11.7	0	0	114.3	L476 L487	L476-Q480 WeakPolarHBondContact O-CG 3.41Å; L476-Q480 PolarHBondContact O-N 3.28Å; Q480-L487 HydrophobicContact CG-CD2 4.38Å
481	T	89.1	Confident	90.8	Very high	78 Å²	78	55.1 Å²	55.1	48%	0.479	29%	0.291	S	S	.	.	H	α-helix	trans	-109.8	-28.1	-175.1	49.6	0	0	0	0	114.7	K477 L478 L479	K477-T481 WeakPolarHBondContact O-CG2 3.49Å; K477-T481 PolarHBondContact O-N 3.39Å; K477-T481 PolarHBondContact O-OG1 3.19Å; L478-T481 WeakPolarHBondContact CA-OG1 3.25Å; L478-T481 PolarHBondContact O-N 2.86Å; L478-T481 PolarHBondContact O-OG1 2.81Å; L479-T481 PolarHBondContact O-N 2.87Å
482	H	89.3	Confident	90.7	Very high	9 Å²	9	55 Å²	55	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-115.5	-11.5	-177.8	-72.1	-71.9	0	0	0	115.1	L478 H849 L981 P995 E996	L478-H482 WeakPolarHBondContact O-CB 3.43Å; L478-H482 PolarHBondContact O-N 2.89Å; H482-H849 PolarHBondContact CE1-O 3.13Å; H482-H849 PolarHBondContact NE2-O 2.82Å; H482-L981 HydrophobicContact CB-CD1 3.86Å; H482-P995 CarbonylContact O-C 3.59Å; H482-P995 WeakPolarHBondContact O-CA 3.32Å; H482-E996 PolarHBondContact O-N 3Å
483	F	91.2	Very high	90.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-130.6	19.7	178.7	-61.1	-95.3	0	0	0	111.9	L479 K485 S486 L487 I492 L981 L984 K985 Y988 I993 P995	L479-F483 HydrophobicContact CD2-CB 4.11Å; L479-F483 HydrophobicContact CD2-CD2 4.02Å; L479-F483 HydrophobicContact CD2-CG 4.21Å; L479-F483 CarbonylContact O-C 3.55Å; L479-F483 WeakPolarHBondContact O-CA 3.36Å; L479-F483 PolarHBondContact O-N 3.38Å; F483-K485 VanDerWaalsContact C-N 3.31Å; F483-K485 PolarHBondContact O-N 2.82Å; F483-S486 WeakPolarHBondContact O-CA 3.35Å; F483-S486 WeakPolarHBondContact O-CB 3.4Å; F483-S486 PolarHBondContact O-N 3.33Å; F483-L487 PolarHBondContact O-N 3.14Å; F483-I492 HydrophobicContact CB-CD1 3.55Å; F483-I492 HydrophobicContact CD1-CD1 4.44Å; F483-I492 HydrophobicContact CG-CD1 4.21Å; F483-L981 HydrophobicContact CE2-CD1 4.07Å; F483-L984 HydrophobicContact CE2-CB 4.03Å; F483-L984 HydrophobicContact CZ-CB 4.29Å; F483-K985 HydrophobicContact CZ-CG 4.38Å; F483-Y988 HydrophobicContact CD1-CD2 4.36Å; F483-Y988 AromaticContact CE1-CD2 3.98Å; F483-Y988 HydrophobicContact CE1-CD2 3.98Å; F483-Y988 HydrophobicContact CE1-CG 4.29Å; F483-Y988 HydrophobicContact CZ-CD2 4.06Å; F483-I993 HydrophobicContact CD1-CG2 4.15Å; F483-I993 HydrophobicContact CE1-CG2 4.5Å; F483-P995 HydrophobicContact CE1-CB 4.07Å; F483-P995 HydrophobicContact CE2-CB 4.37Å; F483-P995 HydrophobicContact CZ-CB 3.91Å
484	K	90	Very high	90.7	Very high	104 Å²	104	50.9 Å²	50.9	45%	0.452	27%	0.266	S	S	.	.	H	α-helix	trans	-51.5	-44.8	-169.7	179.4	155.4	176.9	51.1	0	113.1	L479 S486 L487 D488 E996	L479-K484 PolarHBondContact O-N 3.43Å; K484-S486 VanDerWaalsContact C-N 3.32Å; K484-S486 PolarHBondContact O-N 2.82Å; K484-L487 PolarHBondContact O-N 3.48Å; K484-D488 VanDerWaalsContact CE-OD2 3.27Å; K484-D488 WeakPolarHBondContact CE-OD2 3.21Å; K484-D488 WeakPolarHBondContact CG-OD2 3.33Å; K484-D488 IonicContact NZ-OD1 3.4Å; K484-D488 PolarHBondContact NZ-OD1 2.89Å; K484-D488 IonicContact NZ-OD2 3.2Å; K484-D488 PolarHBondContact NZ-OD2 2.82Å; K484-D488 VanDerWaalsContact O-CB 3.3Å; K484-D488 WeakPolarHBondContact O-CB 3.22Å; K484-D488 PolarHBondContact O-N 2.89Å; K484-E996 PolarHBondContact N-OE1 3.08Å
485	K	89.2	Confident	90.8	Very high	126 Å²	126	50.2 Å²	50.2	55%	0.548	26%	0.262	S	S	.	.	H	α-helix	trans	-65.4	-36.1	178.7	-176.5	-177.2	174.3	-174.5	0	112.3	F483 L487 D489 E996	F483-K485 VanDerWaalsContact C-N 3.31Å; F483-K485 PolarHBondContact O-N 2.82Å; K485-L487 VanDerWaalsContact C-N 3.35Å; K485-D489 WeakPolarHBondContact O-CB 3.49Å; K485-D489 PolarHBondContact O-N 3.25Å; K485-E996 VanDerWaalsContact CB-OE1 3.24Å; K485-E996 WeakPolarHBondContact CB-OE1 3.46Å; K485-E996 WeakPolarHBondContact CB-OE2 3.32Å; K485-E996 PolarHBondContact N-OE1 3.1Å
486	S	90.6	Very high	91	Very high	17 Å²	17	50.2 Å²	50.2	12%	0.119	26%	0.262	C	S	.	.	H	α-helix	trans	-71.9	-32.8	178	-58.8	0	0	0	0	111.9	F483 K484 G490 K491 I492	F483-S486 WeakPolarHBondContact O-CA 3.35Å; F483-S486 WeakPolarHBondContact O-CB 3.4Å; F483-S486 PolarHBondContact O-N 3.33Å; K484-S486 VanDerWaalsContact C-N 3.32Å; K484-S486 PolarHBondContact O-N 2.82Å; S486-G490 PolarHBondContact O-N 3.32Å; S486-K491 WeakPolarHBondContact O-CB 3.43Å; S486-K491 PolarHBondContact O-N 3.37Å; S486-I492 PolarHBondContact O-N 3.49Å
487	L	89.6	Confident	91.2	Very high	54 Å²	54	48.2 Å²	48.2	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-71.2	-49	173.2	-175.1	66.3	0	0	0	111.2	Q480 F483 K484 K485 D489 G490 I492	Q480-L487 HydrophobicContact CG-CD2 4.38Å; F483-L487 PolarHBondContact O-N 3.14Å; K484-L487 PolarHBondContact O-N 3.48Å; K485-L487 VanDerWaalsContact C-N 3.35Å; L487-D489 VanDerWaalsContact C-N 3.33Å; L487-D489 PolarHBondContact O-N 3.46Å; L487-G490 PolarHBondContact O-N 2.86Å; L487-I492 HydrophobicContact CB-CG1 4.22Å; L487-I492 HydrophobicContact CD1-CG1 4.43Å
488	D	89.3	Confident	91.4	Very high	104 Å²	104	43.1 Å²	43.1	56%	0.556	23%	0.229	S	C	*	.	H	α-helix	trans	-64	-33.8	176.3	-67.2	-9	0	0	0	112.3	K484 G490	K484-D488 VanDerWaalsContact CE-OD2 3.27Å; K484-D488 WeakPolarHBondContact CE-OD2 3.21Å; K484-D488 WeakPolarHBondContact CG-OD2 3.33Å; K484-D488 IonicContact NZ-OD1 3.4Å; K484-D488 PolarHBondContact NZ-OD1 2.89Å; K484-D488 IonicContact NZ-OD2 3.2Å; K484-D488 PolarHBondContact NZ-OD2 2.82Å; K484-D488 VanDerWaalsContact O-CB 3.3Å; K484-D488 WeakPolarHBondContact O-CB 3.22Å; K484-D488 PolarHBondContact O-N 2.89Å; D488-G490 PolarHBondContact O-N 3.31Å
489	D	89.6	Confident	91.6	Very high	83 Å²	83	43.1 Å²	43.1	44%	0.444	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-5.8	172.4	-78	-22.9	0	0	0	112.8	K485 L487 K491	K485-D489 WeakPolarHBondContact O-CB 3.49Å; K485-D489 PolarHBondContact O-N 3.25Å; L487-D489 VanDerWaalsContact C-N 3.33Å; L487-D489 PolarHBondContact O-N 3.46Å; D489-K491 VanDerWaalsContact C-N 3.33Å; D489-K491 HydrophobicContact CB-CD 3.82Å; D489-K491 HydrophobicContact CB-CG 4.03Å; D489-K491 PolarHBondContact O-N 2.94Å; D489-K491 IonicContact OD2-NZ 2.87Å; D489-K491 PolarHBondContact OD2-NZ 2.91Å
490	G	87.6	Confident	91.6	Very high	61 Å²	61	43 Å²	43	63%	0.629	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	25.6	-177.9	0	0	0	0	0	114.9	S486 L487 D488	S486-G490 PolarHBondContact O-N 3.32Å; L487-G490 PolarHBondContact O-N 2.86Å; D488-G490 PolarHBondContact O-N 3.31Å
491	K	89	Confident	91.5	Very high	123 Å²	123	40.3 Å²	40.3	54%	0.535	22%	0.216	S	C	.	.	S	Bend	trans	-90.1	-21.3	-179.1	-66.7	166	-178.4	158.4	0	113.5	S486 D489 I993	S486-K491 WeakPolarHBondContact O-CB 3.43Å; S486-K491 PolarHBondContact O-N 3.37Å; D489-K491 VanDerWaalsContact C-N 3.33Å; D489-K491 HydrophobicContact CB-CD 3.82Å; D489-K491 HydrophobicContact CB-CG 4.03Å; D489-K491 PolarHBondContact O-N 2.94Å; D489-K491 IonicContact OD2-NZ 2.87Å; D489-K491 PolarHBondContact OD2-NZ 2.91Å; K491-I993 HydrophobicContact CB-CD1 4.24Å
492	I	92	Very high	91.1	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	19%	0.193	C	C	.	.			trans	-136.8	160	174	66.8	179.1	0	0	0	108.3	L479 F483 S486 L487 Y988 I993	L479-I492 HydrophobicContact CD2-CD1 3.65Å; F483-I492 HydrophobicContact CB-CD1 3.55Å; F483-I492 HydrophobicContact CD1-CD1 4.44Å; F483-I492 HydrophobicContact CG-CD1 4.21Å; S486-I492 PolarHBondContact O-N 3.49Å; L487-I492 HydrophobicContact CB-CG1 4.22Å; L487-I492 HydrophobicContact CD1-CG1 4.43Å; I492-Y988 HydrophobicContact CB-CD1 4.49Å; I492-Y988 HydrophobicContact CB-CE1 3.78Å; I492-Y988 HydrophobicContact CD1-CE1 4.36Å; I492-Y988 HydrophobicContact CD1-CE2 4.49Å; I492-Y988 HydrophobicContact CG2-CD1 3.68Å; I492-Y988 HydrophobicContact CG2-CE1 3.43Å; I492-Y988 VanDerWaalsContact CG2-CE1 3.43Å; I492-I993 HydrophobicContact CG2-CD1 3.43Å; I492-I993 VanDerWaalsContact CG2-CD1 3.43Å
493	S	91.6	Very high	90.3	Very high	13 Å²	13	37.3 Å²	37.3	9%	0.091	20%	0.197	C	C	.	.			trans	-124.6	-72.4	174.8	177.3	0	0	0	0	109.5	M440 Q442 D444	M440-S493 VanDerWaalsContact CB-OG 3.29Å; M440-S493 WeakPolarHBondContact CB-OG 3.44Å; Q442-S493 VanDerWaalsContact O-CB 3.28Å; Q442-S493 WeakPolarHBondContact O-CB 3.38Å; Q442-S493 PolarHBondContact O-OG 3.31Å; D444-S493 VanDerWaalsContact CG-N 3.33Å; D444-S493 PolarHBondContact OD1-N 3.36Å; D444-S493 WeakPolarHBondContact OD2-CA 3.26Å; D444-S493 PolarHBondContact OD2-N 2.93Å
494	R	93.6	Very high	88.9	Confident	3 Å²	3	40.5 Å²	40.5	1%	0.011	22%	0.219	C	C	.	.			trans	-165.5	158.5	-180	68.7	-167.4	-169.9	85.3	11.5	112.6	G316 E439 M440 D444 L476 L479 E496	G316-R494 PolarHBondContact O-NH2 2.65Å; E439-R494 IonicContact OE2-CZ 3.45Å; E439-R494 IonicContact OE2-NE 3.73Å; E439-R494 IonicContact OE2-NH1 2.81Å; E439-R494 PolarHBondContact OE2-NH1 3.44Å; M440-R494 WeakPolarHBondContact O-CD 3.4Å; M440-R494 PolarHBondContact O-NE 3.5Å; D444-R494 PolarHBondContact N-O 3.41Å; D444-R494 PolarHBondContact OD2-N 2.8Å; L476-R494 HydrophobicContact CD2-CB 4.06Å; L479-R494 HydrophobicContact CD1-CB 4.23Å; R494-E496 IonicContact CZ-OE2 2.78Å; R494-E496 VanDerWaalsContact CZ-OE2 3.26Å; R494-E496 IonicContact NH1-OE1 3.6Å; R494-E496 IonicContact NH1-OE2 3.54Å; R494-E496 PolarHBondContact NH1-OE2 2.9Å; R494-E496 IonicContact NH2-OE2 3.92Å; R494-E496 PolarHBondContact NH2-OE2 3.29Å
495	V	96.1	Very high	87.3	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.1	163.5	179.6	0	0	0	0	108.2	H445 V447 F497 L984 I987 Y988	H445-V495 HydrophobicContact CB-CG1 4.31Å; H445-V495 HydrophobicContact CB-CG2 4.19Å; H445-V495 WeakPolarHBondContact O-CA 3.06Å; V447-V495 HydrophobicContact CG2-CG1 3.64Å; V495-F497 HydrophobicContact CB-CE2 3.79Å; V495-F497 HydrophobicContact CB-CZ 4.14Å; V495-F497 HydrophobicContact CG1-CD2 4.14Å; V495-F497 HydrophobicContact CG1-CE1 4.22Å; V495-F497 HydrophobicContact CG1-CE2 3.56Å; V495-F497 HydrophobicContact CG1-CZ 3.6Å; V495-L984 HydrophobicContact CB-CD2 4.21Å; V495-L984 HydrophobicContact CG2-CD2 3.77Å; V495-I987 HydrophobicContact CG1-CD1 3.98Å; V495-I987 HydrophobicContact CG2-CD1 4.35Å; V495-I987 HydrophobicContact CG2-CG2 3.94Å; V495-Y988 HydrophobicContact CG2-CE2 3.95Å
496	E	96.7	Very high	86	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.1	172.4	-178.2	56.9	-89.4	0	0	110.2	R318 V443 H445 L446 V447 R472 R494 L498 F566	R318-E496 IonicContact CZ-OE2 3.59Å; R318-E496 IonicContact NH1-OE1 3.39Å; R318-E496 IonicContact NH1-OE2 2.7Å; R318-E496 PolarHBondContact NH1-OE2 3.34Å; V443-E496 HydrophobicContact CB-CB 4.46Å; V443-E496 HydrophobicContact CG1-CB 3.57Å; V443-E496 HydrophobicContact CG2-CB 3.96Å; H445-E496 PolarHBondContact O-N 3.2Å; L446-E496 CarbonylContact C-O 3.6Å; L446-E496 HydrophobicContact CD1-CB 4.17Å; L446-E496 HydrophobicContact CD1-CG 4.15Å; V447-E496 PolarHBondContact N-O 2.64Å; R472-E496 VanDerWaalsContact CD-OE1 3.3Å; R472-E496 WeakPolarHBondContact CD-OE1 3.41Å; R472-E496 IonicContact CZ-OE1 2.77Å; R472-E496 IonicContact NE-OE1 3.44Å; R472-E496 PolarHBondContact NE-OE1 3.33Å; R494-E496 IonicContact CZ-OE2 2.78Å; R494-E496 VanDerWaalsContact CZ-OE2 3.26Å; R494-E496 IonicContact NH1-OE1 3.6Å; R494-E496 IonicContact NH1-OE2 3.54Å; R494-E496 PolarHBondContact NH1-OE2 2.9Å; R494-E496 IonicContact NH2-OE2 3.92Å; R494-E496 PolarHBondContact NH2-OE2 3.29Å; E496-L498 HydrophobicContact CG-CD2 4.06Å; E496-L498 HydrophobicContact CG-CG 4.25Å; E496-F566 HydrophobicContact CG-CE2 4.24Å
497	F	97.2	Very high	84.1	Confident	1 Å²	1	34.9 Å²	34.9	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114.3	179.4	-63.9	-95.5	0	0	0	108.4	V447 V449 V468 F471 R472 V495 L983	V447-F497 HydrophobicContact CB-CD1 3.62Å; V447-F497 HydrophobicContact CB-CE1 3.91Å; V447-F497 HydrophobicContact CB-CG 4.36Å; V447-F497 HydrophobicContact CG1-CD1 3.91Å; V447-F497 HydrophobicContact CG1-CE1 4.11Å; V447-F497 HydrophobicContact CG2-CD1 4.04Å; V447-F497 HydrophobicContact CG2-CE1 3.81Å; V447-F497 HydrophobicContact CG2-CZ 4.43Å; V447-F497 CarbonylContact O-C 3.49Å; V447-F497 WeakPolarHBondContact O-CA 3.32Å; V449-F497 HydrophobicContact CG2-CB 4.24Å; V449-F497 HydrophobicContact CG2-CD1 4.22Å; V468-F497 HydrophobicContact CG1-CB 3.64Å; F471-F497 HydrophobicContact CD1-CD1 4.07Å; F471-F497 AromaticContact CD1-CE1 3.93Å; F471-F497 HydrophobicContact CD1-CE1 3.93Å; F471-F497 HydrophobicContact CD1-CE2 4.39Å; F471-F497 HydrophobicContact CD1-CG 4.39Å; F471-F497 HydrophobicContact CD1-CZ 4.09Å; F471-F497 HydrophobicContact CE1-CD1 4.11Å; F471-F497 AromaticContact CE1-CE1 3.54Å; F471-F497 HydrophobicContact CE1-CE1 3.54Å; F471-F497 HydrophobicContact CE1-CE2 4.42Å; F471-F497 AromaticContact CE1-CZ 3.72Å; F471-F497 HydrophobicContact CE1-CZ 3.72Å; R472-F497 HydrophobicContact CG-CB 4.13Å; R472-F497 HydrophobicContact CG-CD2 4.05Å; R472-F497 PolarHBondContact NE-O 3.42Å; R472-F497 PolarHBondContact NH2-O 2.98Å; V495-F497 HydrophobicContact CB-CE2 3.79Å; V495-F497 HydrophobicContact CB-CZ 4.14Å; V495-F497 HydrophobicContact CG1-CD2 4.14Å; V495-F497 HydrophobicContact CG1-CE1 4.22Å; V495-F497 HydrophobicContact CG1-CE2 3.56Å; V495-F497 HydrophobicContact CG1-CZ 3.6Å; F497-L983 HydrophobicContact CE1-CD2 4.28Å
498	L	96.8	Very high	82.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.9	179.1	-67	-174.2	0	0	0	110.7	Y332 L446 V447 F448 V449 E496 V500 F566	Y332-L498 HydrophobicContact CD1-CD1 3.88Å; Y332-L498 HydrophobicContact CD1-CD2 4.41Å; Y332-L498 HydrophobicContact CD2-CD2 3.8Å; Y332-L498 HydrophobicContact CE1-CD1 3.97Å; Y332-L498 HydrophobicContact CE2-CD2 4.11Å; Y332-L498 HydrophobicContact CG-CD1 4.26Å; Y332-L498 HydrophobicContact CG-CD2 3.97Å; L446-L498 HydrophobicContact CD1-CD1 3.91Å; L446-L498 HydrophobicContact CD1-CG 3.92Å; V447-L498 PolarHBondContact O-N 3.43Å; F448-L498 HydrophobicContact CD1-CB 4.06Å; F448-L498 HydrophobicContact CE1-CB 4.24Å; F448-L498 HydrophobicContact CE1-CD1 4.02Å; V449-L498 PolarHBondContact N-O 2.79Å; E496-L498 HydrophobicContact CG-CD2 4.06Å; E496-L498 HydrophobicContact CG-CG 4.25Å; L498-V500 PolarHBondContact O-N 3.09Å; L498-F566 HydrophobicContact CD1-CB 4.29Å; L498-F566 HydrophobicContact CD1-CD2 4.05Å; L498-F566 HydrophobicContact CD1-CG 4.5Å
499	P	94.6	Very high	80.1	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	127.1	174.3	29.1	-33.7	0	0	0	110	W333 I464 I465 V468 H501	W333-P499 HydrophobicContact CE3-CG 3.96Å; W333-P499 HydrophobicContact CZ3-CG 4.09Å; I464-P499 HydrophobicContact CG1-CB 3.99Å; I464-P499 HydrophobicContact CG2-CB 4.11Å; I465-P499 HydrophobicContact CG1-CB 4.46Å; I465-P499 HydrophobicContact CG1-CG 3.98Å; V468-P499 HydrophobicContact CB-CB 4.47Å; V468-P499 HydrophobicContact CG2-CB 4.19Å; P499-H501 PolarHBondContact O-N 3.05Å
500	V	92.3	Very high	77.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	91.6	173.4	-177.6	0	0	0	0	107.2	F448 V449 V450 L498 W502 E558 I559 L562	F448-V500 HydrophobicContact CB-CG2 3.88Å; F448-V500 HydrophobicContact CD1-CG2 4.4Å; V449-V500 WeakPolarHBondContact O-CB 3.23Å; V449-V500 PolarHBondContact O-N 3.06Å; V450-V500 HydrophobicContact CG2-CB 3.94Å; V450-V500 HydrophobicContact CG2-CG1 4.22Å; V450-V500 HydrophobicContact CG2-CG2 3.81Å; L498-V500 PolarHBondContact O-N 3.09Å; V500-W502 HydrophobicContact CG1-CB 4.44Å; V500-W502 VanDerWaalsContact O-CD1 3.32Å; V500-W502 PolarHBondContact O-N 3.47Å; V500-W502 VanDerWaalsContact O-N 3.15Å; V500-E558 HydrophobicContact CG1-CB 4.12Å; V500-E558 HydrophobicContact CG1-CG 3.79Å; V500-I559 HydrophobicContact CG1-CG1 3.92Å; V500-I559 HydrophobicContact CG2-CG1 3.8Å; V500-L562 HydrophobicContact CB-CD1 4.45Å; V500-L562 HydrophobicContact CG2-CD1 4.16Å
501	H	85.5	Confident	76.3	Confident	53 Å²	53	36.4 Å²	36.4	25%	0.245	22%	0.222	C	C	.	.			trans	-85.4	87.6	-177.3	-177.7	-120.5	0	0	0	111	P499 S504	P499-H501 PolarHBondContact O-N 3.05Å; H501-S504 PolarHBondContact CE1-OG 3.03Å; H501-S504 VanDerWaalsContact CE1-OG 3.25Å
502	W	82.4	Confident	74.9	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.008	20%	0.199	C	C	.	.			trans	-104.3	-24.7	-169.6	68.4	-91.7	0	0	0	114.2	H451 G452 I453 V500 S505 L506 I551 V555 I588	H451-W502 AromaticContact NE2-CD1 3.88Å; H451-W502 AromaticContact NE2-NE1 3.95Å; H451-W502 PolarHBondContact O-NE1 2.7Å; G452-W502 WeakPolarHBondContact O-CZ2 3.46Å; G452-W502 PolarHBondContact O-NE1 3.44Å; I453-W502 HydrophobicContact CD1-CH2 4.14Å; I453-W502 HydrophobicContact CG1-CH2 3.32Å; I453-W502 HydrophobicContact CG1-CZ2 3.84Å; I453-W502 HydrophobicContact CG1-CZ3 4.24Å; V500-W502 HydrophobicContact CG1-CB 4.44Å; V500-W502 VanDerWaalsContact O-CD1 3.32Å; V500-W502 PolarHBondContact O-N 3.47Å; V500-W502 VanDerWaalsContact O-N 3.15Å; W502-S505 VanDerWaalsContact O-CB 3.24Å; W502-S505 WeakPolarHBondContact O-CB 3.48Å; W502-S505 PolarHBondContact O-N 3.21Å; W502-L506 HydrophobicContact CE3-CD1 3.47Å; W502-L506 VanDerWaalsContact CE3-CD1 3.47Å; W502-L506 HydrophobicContact CZ3-CD1 3.57Å; W502-L506 HydrophobicContact CZ3-CD2 4.11Å; W502-L506 WeakPolarHBondContact O-CD1 3.36Å; W502-I551 HydrophobicContact CH2-CB 4.25Å; W502-I551 HydrophobicContact CH2-CG1 3.99Å; W502-I551 HydrophobicContact CH2-CG2 3.45Å; W502-I551 VanDerWaalsContact CH2-CG2 3.45Å; W502-I551 HydrophobicContact CZ2-CG2 4.24Å; W502-I551 HydrophobicContact CZ3-CB 4.1Å; W502-I551 HydrophobicContact CZ3-CG1 3.83Å; W502-I551 HydrophobicContact CZ3-CG2 3.69Å; W502-V555 HydrophobicContact CB-CG2 3.95Å; W502-V555 HydrophobicContact CD2-CG2 3.46Å; W502-V555 VanDerWaalsContact CD2-CG2 3.46Å; W502-V555 HydrophobicContact CE3-CG2 3.92Å; W502-V555 HydrophobicContact CG-CG2 3.49Å; W502-V555 VanDerWaalsContact CG-CG2 3.49Å; W502-V555 HydrophobicContact CZ2-CG2 4.35Å; W502-I588 HydrophobicContact CH2-CD1 3.98Å; W502-I588 HydrophobicContact CZ2-CD1 3.58Å
503	H	71.9	Confident	73.7	Confident	23 Å²	23	32.4 Å²	32.4	11%	0.106	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-65.1	-42.5	-170.2	-176.4	-110.9	0	0	0	114.2	G454 S505 L506	G454-H503 VanDerWaalsContact C-ND1 3.31Å; G454-H503 PolarHBondContact N-CD2 2.63Å; G454-H503 VanDerWaalsContact N-CD2 3.31Å; G454-H503 PolarHBondContact N-NE2 3.27Å; G454-H503 PolarHBondContact O-ND1 2.61Å; H503-S505 PolarHBondContact O-N 3.47Å; H503-S505 VanDerWaalsContact O-N 3.09Å; H503-L506 PolarHBondContact O-N 2.96Å
504	S	62.3	Low	72.6	Confident	67 Å²	67	34.8 Å²	34.8	47%	0.469	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-54.8	-33.3	177.8	62.2	0	0	0	0	112.3	H501 L506 G507	H501-S504 PolarHBondContact CE1-OG 3.03Å; H501-S504 VanDerWaalsContact CE1-OG 3.25Å; S504-L506 PolarHBondContact O-N 2.95Å; S504-G507 PolarHBondContact O-N 2.95Å; S504-G507 VanDerWaalsContact O-N 3.07Å
505	S	56	Low	71.6	Confident	64 Å²	64	42 Å²	42	45%	0.448	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-71.1	-7.4	-178.1	-128.5	0	0	0	0	114.7	W502 H503 K554	W502-S505 VanDerWaalsContact O-CB 3.24Å; W502-S505 WeakPolarHBondContact O-CB 3.48Å; W502-S505 PolarHBondContact O-N 3.21Å; H503-S505 PolarHBondContact O-N 3.47Å; H503-S505 VanDerWaalsContact O-N 3.09Å; S505-K554 WeakPolarHBondContact O-CE 3.1Å; S505-K554 PolarHBondContact O-NZ 2.9Å; S505-K554 VanDerWaalsContact O-NZ 3.08Å; S505-K554 PolarHBondContact OG-NZ 2.68Å
506	L	60.6	Low	70.5	Confident	41 Å²	41	45.3 Å²	45.3	22%	0.215	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-94.8	-12.9	170.3	-78.4	82.8	0	0	0	113.2	W502 H503 S504 T550 I551 K554	W502-L506 HydrophobicContact CE3-CD1 3.47Å; W502-L506 VanDerWaalsContact CE3-CD1 3.47Å; W502-L506 HydrophobicContact CZ3-CD1 3.57Å; W502-L506 HydrophobicContact CZ3-CD2 4.11Å; W502-L506 WeakPolarHBondContact O-CD1 3.36Å; H503-L506 PolarHBondContact O-N 2.96Å; S504-L506 PolarHBondContact O-N 2.95Å; L506-T550 HydrophobicContact CD2-CG2 4.28Å; L506-T550 HydrophobicContact CG-CG2 4.2Å; L506-I551 HydrophobicContact CD2-CG1 3.72Å; L506-K554 HydrophobicContact CD1-CB 4.18Å; L506-K554 HydrophobicContact CD1-CG 4.02Å
507	G	52.2	Low	69.5	Low	23 Å²	23	46.4 Å²	46.4	24%	0.237	27%	0.271	C	S	.	.			trans	64	67.1	174.3	0	0	0	0	0	114.2	S504 D509 A510 T511	S504-G507 PolarHBondContact O-N 2.95Å; S504-G507 VanDerWaalsContact O-N 3.07Å; G507-D509 VanDerWaalsContact C-N 3.28Å; G507-D509 PolarHBondContact O-N 3.44Å; G507-A510 WeakPolarHBondContact O-CA 3.49Å; G507-A510 WeakPolarHBondContact O-CB 3.33Å; G507-A510 PolarHBondContact O-N 2.9Å; G507-T511 PolarHBondContact O-N 3.27Å
508	G	48	Very low	68.5	Low	17 Å²	17	54.7 Å²	54.7	18%	0.175	31%	0.307	C	S	.	.	H	α-helix	trans	-48.7	-46.2	174.7	0	0	0	0	0	113.7	A510 T511 G512 D514	G508-A510 VanDerWaalsContact C-N 3.32Å; G508-A510 PolarHBondContact O-N 3.02Å; G508-T511 PolarHBondContact O-N 2.71Å; G508-T511 PolarHBondContact O-OG1 2.96Å; G508-G512 PolarHBondContact O-N 3.28Å; G508-D514 WeakPolarHBondContact CA-OD2 3.49Å
509	D	47	Very low	67.8	Low	158 Å²	158	61.4 Å²	61.4	85%	0.845	34%	0.336	S	S	*	.	H	α-helix	trans	-65.1	-29.9	173.6	-79.1	-46.3	0	0	0	114.3	G507	G507-D509 VanDerWaalsContact C-N 3.28Å; G507-D509 PolarHBondContact O-N 3.44Å
510	A	41.8	Very low	67.3	Low	94 Å²	94	67.9 Å²	67.9	78%	0.777	37%	0.37	S	S	*	.	H	α-helix	trans	-78.3	-34.8	-179.4	0	0	0	0	0	112.5	G507 G508	G507-A510 WeakPolarHBondContact O-CA 3.49Å; G507-A510 WeakPolarHBondContact O-CB 3.33Å; G507-A510 PolarHBondContact O-N 2.9Å; G508-A510 VanDerWaalsContact C-N 3.32Å; G508-A510 PolarHBondContact O-N 3.02Å
511	T	54.6	Low	66.8	Low	65 Å²	65	69.7 Å²	69.7	40%	0.399	38%	0.381	S	S	.	.	H	α-helix	trans	-76.7	-30.5	169.6	73.8	0	0	0	0	111.4	G507 G508 V513	G507-T511 PolarHBondContact O-N 3.27Å; G508-T511 PolarHBondContact O-N 2.71Å; G508-T511 PolarHBondContact O-OG1 2.96Å; T511-V513 PolarHBondContact O-N 2.79Å; T511-V513 PolarHBondContact OG1-N 3Å
512	G	60.4	Low	66.7	Low	6 Å²	6	71.6 Å²	71.6	6%	0.062	39%	0.392	C	S	.	.			trans	68.1	11.5	-178	0	0	0	0	0	114.2	G508 N516	G508-G512 PolarHBondContact O-N 3.28Å; G512-N516 VanDerWaalsContact O-CG 3.3Å; G512-N516 PolarHBondContact O-N 3.45Å; G512-N516 PolarHBondContact O-ND2 3.23Å
513	V	67.2	Low	66.7	Low	39 Å²	39	77.7 Å²	77.7	24%	0.236	43%	0.432	C	S	.	.	H	α-helix	trans	-71.8	-42.1	-176.4	-174	0	0	0	0	110.7	T511 R515 N516 I517 F541	T511-V513 PolarHBondContact O-N 2.79Å; T511-V513 PolarHBondContact OG1-N 3Å; V513-R515 VanDerWaalsContact C-N 3.28Å; V513-R515 PolarHBondContact O-N 2.99Å; V513-N516 CarbonylContact O-C 3.52Å; V513-N516 WeakPolarHBondContact O-CA 3.32Å; V513-N516 WeakPolarHBondContact O-CB 3.35Å; V513-N516 PolarHBondContact O-N 2.72Å; V513-I517 HydrophobicContact CG1-CD1 3.9Å; V513-I517 HydrophobicContact CG1-CG1 4.3Å; V513-I517 WeakPolarHBondContact O-CG1 3.02Å; V513-I517 PolarHBondContact O-N 2.69Å; V513-F541 HydrophobicContact CB-CZ 4.4Å; V513-F541 HydrophobicContact CG1-CE1 3.94Å; V513-F541 HydrophobicContact CG1-CZ 3.7Å
514	D	67.6	Low	67.1	Low	63 Å²	63	79.8 Å²	79.8	34%	0.337	45%	0.449	S	S	.	.	H	α-helix	trans	-60.3	-40.3	178.2	-46.9	-29.8	0	0	0	111.3	G508 N516 I517 K518	G508-D514 WeakPolarHBondContact CA-OD2 3.49Å; D514-N516 PolarHBondContact O-N 2.85Å; D514-I517 PolarHBondContact O-N 3.34Å; D514-K518 VanDerWaalsContact O-CB 3.28Å; D514-K518 WeakPolarHBondContact O-CB 3.45Å; D514-K518 PolarHBondContact O-N 2.9Å
515	R	71.4	Confident	67.9	Low	155 Å²	155	82 Å²	82	59%	0.585	46%	0.455	S	S	*	.	H	α-helix	trans	-63.6	-27.7	172.7	-173.4	-176.4	64.6	176.3	-6.4	112.6	V513 K519	V513-R515 VanDerWaalsContact C-N 3.28Å; V513-R515 PolarHBondContact O-N 2.99Å; R515-K519 WeakPolarHBondContact O-CD 3.22Å; R515-K519 VanDerWaalsContact O-CG 3.25Å; R515-K519 WeakPolarHBondContact O-CG 3.31Å; R515-K519 PolarHBondContact O-N 3.01Å
516	N	73.1	Confident	68.7	Low	77 Å²	77	80.9 Å²	80.9	41%	0.412	45%	0.453	S	S	.	.	H	α-helix	trans	-84.4	-39.8	175.6	-65.7	-24.3	0	0	0	111.5	G512 V513 D514 K518 K519 I520	G512-N516 VanDerWaalsContact O-CG 3.3Å; G512-N516 PolarHBondContact O-N 3.45Å; G512-N516 PolarHBondContact O-ND2 3.23Å; V513-N516 CarbonylContact O-C 3.52Å; V513-N516 WeakPolarHBondContact O-CA 3.32Å; V513-N516 WeakPolarHBondContact O-CB 3.35Å; V513-N516 PolarHBondContact O-N 2.72Å; D514-N516 PolarHBondContact O-N 2.85Å; N516-K518 VanDerWaalsContact C-N 3.34Å; N516-K518 PolarHBondContact O-N 3.4Å; N516-K519 WeakPolarHBondContact O-CB 3.49Å; N516-K519 PolarHBondContact O-N 2.86Å; N516-K519 VanDerWaalsContact O-N 3.13Å; N516-I520 PolarHBondContact O-N 3.35Å; N516-I520 VanDerWaalsContact O-N 3.12Å
517	I	76.1	Confident	69.1	Low	24 Å²	24	89.3 Å²	89.3	12%	0.123	48%	0.482	C	S	.	.	H	α-helix	trans	-53.9	-50.5	169	-71.9	162.4	0	0	0	110	V513 D514 K519 I520 T521 N533 L537 F541	V513-I517 HydrophobicContact CG1-CD1 3.9Å; V513-I517 HydrophobicContact CG1-CG1 4.3Å; V513-I517 WeakPolarHBondContact O-CG1 3.02Å; V513-I517 PolarHBondContact O-N 2.69Å; D514-I517 PolarHBondContact O-N 3.34Å; I517-K519 PolarHBondContact O-N 3.33Å; I517-I520 VanDerWaalsContact O-CG1 3.28Å; I517-I520 WeakPolarHBondContact O-CG1 3.5Å; I517-I520 PolarHBondContact O-N 3.35Å; I517-I520 VanDerWaalsContact O-N 3.1Å; I517-T521 WeakPolarHBondContact O-CB 3.37Å; I517-T521 PolarHBondContact O-N 3.25Å; I517-T521 PolarHBondContact O-OG1 3.11Å; I517-N533 HydrophobicContact CG2-CB 4.33Å; I517-L537 HydrophobicContact CB-CD1 4.33Å; I517-L537 HydrophobicContact CD1-CD1 3.67Å; I517-L537 HydrophobicContact CG1-CD1 3.9Å; I517-L537 HydrophobicContact CG2-CD1 3.46Å; I517-L537 VanDerWaalsContact CG2-CD1 3.46Å; I517-F541 HydrophobicContact CD1-CE2 3.93Å; I517-F541 HydrophobicContact CD1-CZ 3.71Å
518	K	76.3	Confident	70.2	Confident	175 Å²	175	94.1 Å²	94.1	76%	0.761	50%	0.497	S	S	*	.	H	α-helix	trans	-62.4	-25.8	179.1	-167.1	167.8	-175.7	170.5	0	113.5	D514 N516	D514-K518 VanDerWaalsContact O-CB 3.28Å; D514-K518 WeakPolarHBondContact O-CB 3.45Å; D514-K518 PolarHBondContact O-N 2.9Å; N516-K518 VanDerWaalsContact C-N 3.34Å; N516-K518 PolarHBondContact O-N 3.4Å
519	K	82.3	Confident	71.7	Confident	141 Å²	141	97.6 Å²	97.6	61%	0.613	50%	0.504	S	S	*	.	H	α-helix	trans	-78.8	-32.5	173.2	-73.5	167.1	-173	170.5	0	113.8	R515 N516 I517	R515-K519 WeakPolarHBondContact O-CD 3.22Å; R515-K519 VanDerWaalsContact O-CG 3.25Å; R515-K519 WeakPolarHBondContact O-CG 3.31Å; R515-K519 PolarHBondContact O-N 3.01Å; N516-K519 WeakPolarHBondContact O-CB 3.49Å; N516-K519 PolarHBondContact O-N 2.86Å; N516-K519 VanDerWaalsContact O-N 3.13Å; I517-K519 PolarHBondContact O-N 3.33Å
520	I	83.6	Confident	72.9	Confident	138 Å²	138	92.7 Å²	92.7	71%	0.708	48%	0.476	S	S	*	.	H	α-helix	trans	-90.5	-10.2	177.5	66.3	174.4	0	0	0	112.8	N516 I517 L522	N516-I520 PolarHBondContact O-N 3.35Å; N516-I520 VanDerWaalsContact O-N 3.12Å; I517-I520 VanDerWaalsContact O-CG1 3.28Å; I517-I520 WeakPolarHBondContact O-CG1 3.5Å; I517-I520 PolarHBondContact O-N 3.35Å; I517-I520 VanDerWaalsContact O-N 3.1Å; I520-L522 PolarHBondContact O-N 3.38Å
521	T	81.6	Confident	74.5	Confident	39 Å²	39	89.4 Å²	89.4	24%	0.239	45%	0.445	C	S	.	.	S	Bend	trans	-69.4	116.7	175.6	-62.7	0	0	0	0	109.9	I517 R529 N533	I517-T521 WeakPolarHBondContact O-CB 3.37Å; I517-T521 PolarHBondContact O-N 3.25Å; I517-T521 PolarHBondContact O-OG1 3.11Å; T521-R529 HydrophobicContact CG2-CB 3.87Å; T521-R529 HydrophobicContact CG2-CG 4.33Å; T521-N533 PolarHBondContact OG1-ND2 3.08Å
522	L	84.6	Confident	75.5	Confident	93 Å²	93	87.6 Å²	87.6	49%	0.487	43%	0.434	S	S	.	.			trans	-67	144.5	176.4	-61.2	179.5	0	0	0	111.1	I520 S524	I520-L522 PolarHBondContact O-N 3.38Å; L522-S524 VanDerWaalsContact C-N 3.25Å; L522-S524 PolarHBondContact O-N 3.28Å
523	P	81.9	Confident	76.2	Confident	129 Å²	129	88.8 Å²	88.8	84%	0.838	44%	0.438	S	S	*	.	S	Bend	trans	-73.5	-15.4	179.6	30.2	-36.1	0	0	0	113.5
524	S	80.7	Confident	76.3	Confident	67 Å²	67	89.5 Å²	89.5	47%	0.469	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	145.3	174.3	51.2	0	0	0	0	111.4	L522 G526 R529	L522-S524 VanDerWaalsContact C-N 3.25Å; L522-S524 PolarHBondContact O-N 3.28Å; S524-G526 PolarHBondContact O-N 2.83Å; S524-R529 WeakPolarHBondContact O-CG 3.14Å
525	I	78.8	Confident	76.4	Confident	114 Å²	114	86.9 Å²	86.9	59%	0.585	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	39.2	-178.5	63	168.1	0	0	0	114.3	R527 F528 R529	I525-R527 VanDerWaalsContact C-N 3.3Å; I525-R527 PolarHBondContact O-N 3.44Å; I525-F528 HydrophobicContact CB-CB 4.48Å; I525-F528 HydrophobicContact CD1-CB 4.4Å; I525-F528 HydrophobicContact CD1-CD1 3.94Å; I525-F528 HydrophobicContact CD1-CG 4.48Å; I525-F528 PolarHBondContact O-N 2.85Å; I525-R529 HydrophobicContact CG1-CG 4.15Å; I525-R529 PolarHBondContact O-N 3.27Å
526	G	72.9	Confident	76.4	Confident	40 Å²	40	83.7 Å²	83.7	41%	0.412	42%	0.42	S	S	.	.	H	α-helix	trans	-47.5	-38	-169.6	0	0	0	0	0	116.8	S524 R529 H530	S524-G526 PolarHBondContact O-N 2.83Å; G526-R529 PolarHBondContact O-N 3.08Å; G526-H530 WeakPolarHBondContact O-CB 3.49Å; G526-H530 PolarHBondContact O-N 3.32Å
527	R	70.1	Confident	76.4	Confident	218 Å²	218	81.9 Å²	81.9	82%	0.823	41%	0.41	S	S	*	.	H	α-helix	trans	-62.5	-43.7	175.5	-70.1	-176.8	179.3	170.1	-0.7	112.8	I525 F531 L967	I525-R527 VanDerWaalsContact C-N 3.3Å; I525-R527 PolarHBondContact O-N 3.44Å; R527-F531 PolarHBondContact O-N 3.35Å; R527-F531 VanDerWaalsContact O-N 3.13Å; R527-L967 HydrophobicContact CB-CD2 4.39Å
528	F	74.3	Confident	76.3	Confident	125 Å²	125	80.9 Å²	80.9	55%	0.548	41%	0.405	S	S	.	.	H	α-helix	trans	-72.4	-37.8	177.5	-176	-90.2	0	0	0	111.4	I525 F531 T532	I525-F528 HydrophobicContact CB-CB 4.48Å; I525-F528 HydrophobicContact CD1-CB 4.4Å; I525-F528 HydrophobicContact CD1-CD1 3.94Å; I525-F528 HydrophobicContact CD1-CG 4.48Å; I525-F528 PolarHBondContact O-N 2.85Å; F528-F531 PolarHBondContact O-N 3.41Å; F528-T532 WeakPolarHBondContact O-CB 3.48Å; F528-T532 PolarHBondContact O-N 3.07Å; F528-T532 PolarHBondContact O-OG1 3.08Å
529	R	78.6	Confident	76.3	Confident	89 Å²	89	73.2 Å²	73.2	34%	0.336	37%	0.372	S	S	.	.	H	α-helix	trans	-60.9	-43	172.6	-77.4	-71.8	179.3	-175.8	-3.5	112.3	T521 S524 I525 G526 T532 N533	T521-R529 HydrophobicContact CG2-CB 3.87Å; T521-R529 HydrophobicContact CG2-CG 4.33Å; S524-R529 WeakPolarHBondContact O-CG 3.14Å; I525-R529 HydrophobicContact CG1-CG 4.15Å; I525-R529 PolarHBondContact O-N 3.27Å; G526-R529 PolarHBondContact O-N 3.08Å; R529-T532 WeakPolarHBondContact O-CB 3.41Å; R529-T532 PolarHBondContact O-N 3.33Å; R529-N533 VanDerWaalsContact O-CG 3.22Å; R529-N533 PolarHBondContact O-N 3.39Å; R529-N533 PolarHBondContact O-OD1 2.74Å
530	H	73	Confident	76.1	Confident	55 Å²	55	71.4 Å²	71.4	26%	0.255	37%	0.368	S	S	.	.	H	α-helix	trans	-62.7	-48.6	175.4	177.7	51.8	0	0	0	111.4	F461 G526 T532 N533 E534	F461-H530 AromaticContact CD1-NE2 3.56Å; F461-H530 AromaticContact CE1-CD2 3.55Å; F461-H530 AromaticContact CE1-CE1 3.79Å; F461-H530 AromaticContact CE1-NE2 3.12Å; F461-H530 WeakPolarHBondContact CE1-NE2 3.3Å; G526-H530 WeakPolarHBondContact O-CB 3.49Å; G526-H530 PolarHBondContact O-N 3.32Å; H530-T532 VanDerWaalsContact C-N 3.28Å; H530-T532 PolarHBondContact O-N 3.37Å; H530-N533 CarbonylContact O-C 3.49Å; H530-N533 WeakPolarHBondContact O-CA 3.41Å; H530-N533 WeakPolarHBondContact O-CB 3.35Å; H530-N533 PolarHBondContact O-N 3.4Å; H530-E534 WeakPolarHBondContact CE1-CG 3.37Å; H530-E534 IonicContact CE1-OE1 2.64Å; H530-E534 PolarHBondContact CE1-OE1 3.4Å; H530-E534 WeakPolarHBondContact ND1-CG 3.15Å; H530-E534 IonicContact ND1-OE1 2.67Å; H530-E534 PolarHBondContact ND1-OE1 2.88Å; H530-E534 VanDerWaalsContact ND1-OE1 3.11Å; H530-E534 WeakPolarHBondContact O-CG 3.44Å; H530-E534 PolarHBondContact O-N 3.4Å
531	F	75.3	Confident	75.8	Confident	25 Å²	25	66.5 Å²	66.5	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-57.1	-39.2	172.9	177.2	-111.8	0	0	0	113.7	R527 F528 N533 T535 P826 V827 L967 H970	R527-F531 PolarHBondContact O-N 3.35Å; R527-F531 VanDerWaalsContact O-N 3.13Å; F528-F531 PolarHBondContact O-N 3.41Å; F531-N533 PolarHBondContact O-N 3.26Å; F531-T535 HydrophobicContact CE2-CG2 4.04Å; F531-T535 WeakPolarHBondContact CE2-OG1 3.38Å; F531-T535 HydrophobicContact CZ-CG2 4.22Å; F531-T535 WeakPolarHBondContact O-CB 3.35Å; F531-T535 PolarHBondContact O-N 3.17Å; F531-T535 PolarHBondContact O-OG1 2.73Å; F531-P826 HydrophobicContact CE1-CG 3.87Å; F531-P826 HydrophobicContact CZ-CG 3.84Å; F531-V827 HydrophobicContact CZ-CG2 4.03Å; F531-L967 HydrophobicContact CB-CD1 3.52Å; F531-L967 HydrophobicContact CD1-CD1 4.23Å; F531-L967 HydrophobicContact CD2-CD1 3.4Å; F531-L967 VanDerWaalsContact CD2-CD1 3.4Å; F531-L967 HydrophobicContact CE2-CD1 4.17Å; F531-L967 HydrophobicContact CG-CD1 3.44Å; F531-L967 VanDerWaalsContact CG-CD1 3.44Å; F531-H970 HydrophobicContact CE2-CB 4.18Å; F531-H970 AromaticContact CE2-CD2 3.84Å; F531-H970 HydrophobicContact CZ-CB 4.4Å
532	T	75.9	Confident	75.8	Confident	28 Å²	28	64.7 Å²	64.7	17%	0.172	33%	0.331	C	S	.	.	I	π-helix	trans	-60.9	-38.3	173.7	-50.7	0	0	0	0	110.7	F528 R529 H530 L536 L537	F528-T532 WeakPolarHBondContact O-CB 3.48Å; F528-T532 PolarHBondContact O-N 3.07Å; F528-T532 PolarHBondContact O-OG1 3.08Å; R529-T532 WeakPolarHBondContact O-CB 3.41Å; R529-T532 PolarHBondContact O-N 3.33Å; H530-T532 VanDerWaalsContact C-N 3.28Å; H530-T532 PolarHBondContact O-N 3.37Å; T532-L536 HydrophobicContact CG2-CB 4.03Å; T532-L536 HydrophobicContact CG2-CD2 3.96Å; T532-L536 WeakPolarHBondContact O-CA 2.98Å; T532-L536 VanDerWaalsContact O-CB 3.32Å; T532-L536 WeakPolarHBondContact O-CB 3.2Å; T532-L536 PolarHBondContact O-N 2.97Å; T532-L537 PolarHBondContact O-N 3.38Å
533	N	73.9	Confident	75.5	Confident	30 Å²	30	63.4 Å²	63.4	16%	0.16	32%	0.324	C	S	.	.	I	π-helix	trans	-74.1	-42.5	-179.6	-67.3	-4.4	0	0	0	113.6	I517 T521 R529 H530 F531 L537	I517-N533 HydrophobicContact CG2-CB 4.33Å; T521-N533 PolarHBondContact OG1-ND2 3.08Å; R529-N533 VanDerWaalsContact O-CG 3.22Å; R529-N533 PolarHBondContact O-N 3.39Å; R529-N533 PolarHBondContact O-OD1 2.74Å; H530-N533 CarbonylContact O-C 3.49Å; H530-N533 WeakPolarHBondContact O-CA 3.41Å; H530-N533 WeakPolarHBondContact O-CB 3.35Å; H530-N533 PolarHBondContact O-N 3.4Å; F531-N533 PolarHBondContact O-N 3.26Å; N533-L537 HydrophobicContact CB-CD1 4.08Å; N533-L537 WeakPolarHBondContact O-CB 3.31Å
534	E	69.4	Low	75.4	Confident	54 Å²	54	59 Å²	59	25%	0.252	30%	0.297	S	S	.	.	I	π-helix	trans	-91	15	-179.4	-38	-63.7	128.1	0	0	113.9	H530	H530-E534 WeakPolarHBondContact CE1-CG 3.37Å; H530-E534 IonicContact CE1-OE1 2.64Å; H530-E534 PolarHBondContact CE1-OE1 3.4Å; H530-E534 WeakPolarHBondContact ND1-CG 3.15Å; H530-E534 IonicContact ND1-OE1 2.67Å; H530-E534 PolarHBondContact ND1-OE1 2.88Å; H530-E534 VanDerWaalsContact ND1-OE1 3.11Å; H530-E534 WeakPolarHBondContact O-CG 3.44Å; H530-E534 PolarHBondContact O-N 3.4Å
535	T	69.7	Low	74.9	Confident	8 Å²	8	56.7 Å²	56.7	5%	0.049	28%	0.28	C	S	.	.	I	π-helix	trans	-153.4	-38.8	-179.1	-45.3	0	0	0	0	114.1	F531 D538 I539 V827	F531-T535 HydrophobicContact CE2-CG2 4.04Å; F531-T535 WeakPolarHBondContact CE2-OG1 3.38Å; F531-T535 HydrophobicContact CZ-CG2 4.22Å; F531-T535 WeakPolarHBondContact O-CB 3.35Å; F531-T535 PolarHBondContact O-N 3.17Å; F531-T535 PolarHBondContact O-OG1 2.73Å; T535-D538 PolarHBondContact N-OD1 2.68Å; T535-I539 WeakPolarHBondContact O-CD1 3.43Å; T535-I539 WeakPolarHBondContact O-CG1 3.43Å; T535-V827 HydrophobicContact CG2-CG1 4.31Å; T535-V827 HydrophobicContact CG2-CG2 3.82Å
536	L	71.5	Confident	74.6	Confident	88 Å²	88	55.8 Å²	55.8	46%	0.461	28%	0.28	S	S	.	.	I	π-helix	trans	-88.1	-34.1	175.6	-171.5	63.9	0	0	0	112.4	T532 I539 L540	T532-L536 HydrophobicContact CG2-CB 4.03Å; T532-L536 HydrophobicContact CG2-CD2 3.96Å; T532-L536 WeakPolarHBondContact O-CA 2.98Å; T532-L536 VanDerWaalsContact O-CB 3.32Å; T532-L536 WeakPolarHBondContact O-CB 3.2Å; T532-L536 PolarHBondContact O-N 2.97Å; L536-I539 HydrophobicContact CD1-CG2 4.2Å; L536-I539 WeakPolarHBondContact O-CB 3.49Å; L536-I539 PolarHBondContact O-N 2.79Å; L536-L540 WeakPolarHBondContact O-CG 3.48Å; L536-L540 PolarHBondContact O-N 3.24Å
537	L	73	Confident	74.9	Confident	40 Å²	40	57.1 Å²	57.1	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-69.9	-37.2	173.6	-58.5	-177.8	0	0	0	111.4	I517 T532 N533 I539 L540 F541	I517-L537 HydrophobicContact CB-CD1 4.33Å; I517-L537 HydrophobicContact CD1-CD1 3.67Å; I517-L537 HydrophobicContact CG1-CD1 3.9Å; I517-L537 HydrophobicContact CG2-CD1 3.46Å; I517-L537 VanDerWaalsContact CG2-CD1 3.46Å; T532-L537 PolarHBondContact O-N 3.38Å; N533-L537 HydrophobicContact CB-CD1 4.08Å; N533-L537 WeakPolarHBondContact O-CB 3.31Å; L537-I539 VanDerWaalsContact C-N 3.29Å; L537-I539 PolarHBondContact O-N 2.88Å; L537-L540 HydrophobicContact CD2-CD1 4.16Å; L537-L540 CarbonylContact O-C 3.45Å; L537-L540 WeakPolarHBondContact O-CA 3.45Å; L537-L540 PolarHBondContact O-N 3.06Å; L537-F541 HydrophobicContact CB-CD2 4.31Å; L537-F541 HydrophobicContact CB-CE2 4.18Å; L537-F541 WeakPolarHBondContact O-CD2 3.49Å; L537-F541 PolarHBondContact O-N 2.83Å
538	D	74.2	Confident	75.7	Confident	3 Å²	3	47 Å²	47	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-43.3	-55.1	166.8	-66	31.5	0	0	0	112.3	I453 T535 L540 F541 Y542 L584	I453-D538 VanDerWaalsContact CA-OD2 3.31Å; I453-D538 WeakPolarHBondContact CA-OD2 3.41Å; I453-D538 HydrophobicContact CB-CB 3.94Å; I453-D538 VanDerWaalsContact CB-CG 3.44Å; I453-D538 WeakPolarHBondContact CB-OD2 3.27Å; I453-D538 HydrophobicContact CD1-CB 4.39Å; I453-D538 PolarHBondContact N-OD2 3.32Å; T535-D538 PolarHBondContact N-OD1 2.68Å; D538-L540 VanDerWaalsContact C-N 3.28Å; D538-L540 PolarHBondContact O-N 3.02Å; D538-F541 WeakPolarHBondContact O-CB 3.44Å; D538-F541 PolarHBondContact O-N 2.85Å; D538-Y542 PolarHBondContact O-N 2.94Å; D538-L584 HydrophobicContact CB-CD2 3.82Å
539	I	77.8	Confident	76.3	Confident	13 Å²	13	43 Å²	43	7%	0.067	22%	0.219	C	C	.	.	H	α-helix	trans	-58.1	-39.6	179.3	-82.3	176.3	0	0	0	111.2	T535 L536 L537 N543 P792 M795 F796 V827	T535-I539 WeakPolarHBondContact O-CD1 3.43Å; T535-I539 WeakPolarHBondContact O-CG1 3.43Å; L536-I539 HydrophobicContact CD1-CG2 4.2Å; L536-I539 WeakPolarHBondContact O-CB 3.49Å; L536-I539 PolarHBondContact O-N 2.79Å; L537-I539 VanDerWaalsContact C-N 3.29Å; L537-I539 PolarHBondContact O-N 2.88Å; I539-N543 PolarHBondContact O-N 3.16Å; I539-P792 HydrophobicContact CD1-CB 4.29Å; I539-P792 HydrophobicContact CD1-CG 4.47Å; I539-M795 HydrophobicContact CD1-CE 4.34Å; I539-F796 HydrophobicContact CB-CE2 4.21Å; I539-F796 HydrophobicContact CB-CZ 3.99Å; I539-F796 HydrophobicContact CD1-CE2 4.26Å; I539-F796 HydrophobicContact CG1-CE2 3.84Å; I539-F796 HydrophobicContact CG1-CZ 4.04Å; I539-F796 HydrophobicContact CG2-CE2 3.79Å; I539-F796 HydrophobicContact CG2-CZ 3.61Å; I539-F796 WeakPolarHBondContact O-CZ 3.44Å; I539-V827 HydrophobicContact CD1-CG1 4.02Å
540	L	77.1	Confident	76.6	Confident	103 Å²	103	41.5 Å²	41.5	54%	0.539	22%	0.219	S	C	.	.	H	α-helix	trans	-76.5	-34	176.9	-64.1	172.3	0	0	0	113	L536 L537 D538 N543 S544	L536-L540 WeakPolarHBondContact O-CG 3.48Å; L536-L540 PolarHBondContact O-N 3.24Å; L537-L540 HydrophobicContact CD2-CD1 4.16Å; L537-L540 CarbonylContact O-C 3.45Å; L537-L540 WeakPolarHBondContact O-CA 3.45Å; L537-L540 PolarHBondContact O-N 3.06Å; D538-L540 VanDerWaalsContact C-N 3.28Å; D538-L540 PolarHBondContact O-N 3.02Å; L540-N543 PolarHBondContact O-N 3.24Å; L540-S544 PolarHBondContact O-N 3.36Å
541	F	76.6	Confident	77.3	Confident	36 Å²	36	38.9 Å²	38.9	16%	0.158	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-46	173.8	-79.9	-59.9	0	0	0	111.2	I453 V513 I517 L537 D538 N543 S544 Y547	I453-F541 HydrophobicContact CD1-CB 3.86Å; V513-F541 HydrophobicContact CB-CZ 4.4Å; V513-F541 HydrophobicContact CG1-CE1 3.94Å; V513-F541 HydrophobicContact CG1-CZ 3.7Å; I517-F541 HydrophobicContact CD1-CE2 3.93Å; I517-F541 HydrophobicContact CD1-CZ 3.71Å; L537-F541 HydrophobicContact CB-CD2 4.31Å; L537-F541 HydrophobicContact CB-CE2 4.18Å; L537-F541 WeakPolarHBondContact O-CD2 3.49Å; L537-F541 PolarHBondContact O-N 2.83Å; D538-F541 WeakPolarHBondContact O-CB 3.44Å; D538-F541 PolarHBondContact O-N 2.85Å; F541-N543 PolarHBondContact O-N 3.01Å; F541-S544 WeakPolarHBondContact O-CB 3.5Å; F541-S544 PolarHBondContact O-N 3.3Å; F541-Y547 AromaticContact CD1-CD2 3.92Å; F541-Y547 HydrophobicContact CD1-CD2 3.92Å; F541-Y547 HydrophobicContact CD1-CE2 4.03Å; F541-Y547 HydrophobicContact CD1-CG 4.33Å; F541-Y547 HydrophobicContact CE1-CE2 4.23Å; F541-Y547 WeakPolarHBondContact O-CB 3.49Å
542	Y	82.4	Confident	78	Confident	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-67.3	-26.3	178.5	-171.4	-108.6	0	0	0	113.1	D538 S544 C548 I551 V552 L584 L587 I588 D591	D538-Y542 PolarHBondContact O-N 2.94Å; Y542-S544 PolarHBondContact O-N 2.85Å; Y542-C548 VanDerWaalsContact O-CB 3.25Å; Y542-C548 WeakPolarHBondContact O-CB 3.37Å; Y542-C548 PolarHBondContact O-SG 3.37Å; Y542-I551 HydrophobicContact CD2-CB 4.17Å; Y542-I551 HydrophobicContact CD2-CD1 3.86Å; Y542-I551 HydrophobicContact CD2-CG2 3.78Å; Y542-I551 HydrophobicContact CE2-CB 4.37Å; Y542-I551 HydrophobicContact CE2-CG2 3.9Å; Y542-V552 HydrophobicContact CE2-CG2 3.91Å; Y542-L584 HydrophobicContact CD1-CD1 3.91Å; Y542-L584 HydrophobicContact CG-CD1 3.88Å; Y542-L587 HydrophobicContact CD1-CD2 3.54Å; Y542-L587 HydrophobicContact CD1-CG 4.18Å; Y542-L587 HydrophobicContact CE1-CD2 3.61Å; Y542-L587 HydrophobicContact CE1-CG 3.77Å; Y542-I588 HydrophobicContact CD2-CG1 3.95Å; Y542-I588 HydrophobicContact CE2-CB 4.49Å; Y542-I588 HydrophobicContact CE2-CG1 3.68Å; Y542-D591 VanDerWaalsContact CE1-OD2 3.26Å; Y542-D591 WeakPolarHBondContact CE1-OD2 3.3Å; Y542-D591 WeakPolarHBondContact OH-CB 3.32Å; Y542-D591 PolarHBondContact OH-OD2 2.96Å
543	N	78.9	Confident	78.7	Confident	65 Å²	65	40 Å²	40	35%	0.348	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.8	170.8	-158.6	39.2	0	0	0	113.6	I539 L540 F541 F796	I539-N543 PolarHBondContact O-N 3.16Å; L540-N543 PolarHBondContact O-N 3.24Å; F541-N543 PolarHBondContact O-N 3.01Å; N543-F796 HydrophobicContact CB-CE1 4.41Å
544	S	78.8	Confident	79.4	Confident	37 Å²	37	41.4 Å²	41.4	26%	0.259	22%	0.216	S	C	.	.	S	Bend	trans	-88.6	126.7	178.7	-172	0	0	0	0	111.2	L540 F541 Y542 T546 Y547 C548	L540-S544 PolarHBondContact O-N 3.36Å; F541-S544 WeakPolarHBondContact O-CB 3.5Å; F541-S544 PolarHBondContact O-N 3.3Å; Y542-S544 PolarHBondContact O-N 2.85Å; S544-T546 VanDerWaalsContact C-N 3.3Å; S544-T546 PolarHBondContact O-N 2.85Å; S544-T546 VanDerWaalsContact O-N 3.16Å; S544-Y547 PolarHBondContact O-N 2.87Å; S544-Y547 VanDerWaalsContact O-N 3.14Å; S544-C548 WeakPolarHBondContact O-CB 3.47Å; S544-C548 PolarHBondContact O-N 2.7Å
545	P	71.3	Confident	80.5	Confident	18 Å²	18	38.9 Å²	38.9	12%	0.117	20%	0.204	C	C	.	.	H	α-helix	trans	-52.6	-42.5	-175.1	-24.7	26.9	0	0	0	115.2	Y547 V760 Y762 V772	P545-Y547 PolarHBondContact O-N 2.72Å; P545-V760 HydrophobicContact CB-CG1 3.63Å; P545-V760 HydrophobicContact CB-CG2 4.38Å; P545-V760 HydrophobicContact CG-CG1 3.85Å; P545-Y762 HydrophobicContact CG-CE1 4.2Å; P545-Y762 HydrophobicContact CG-CE2 4.35Å; P545-Y762 WeakPolarHBondContact CG-OH 3.35Å; P545-V772 HydrophobicContact CB-CB 4.5Å; P545-V772 HydrophobicContact CB-CG1 3.71Å; P545-V772 HydrophobicContact CB-CG2 3.94Å; P545-V772 HydrophobicContact CG-CG1 4.34Å; P545-V772 HydrophobicContact CG-CG2 3.7Å
546	T	72.4	Confident	81.7	Confident	95 Å²	95	38.5 Å²	38.5	58%	0.583	20%	0.202	S	C	*	.	H	α-helix	trans	-66.1	-37.6	-176.3	-46	0	0	0	0	112.3	S544 T550	S544-T546 VanDerWaalsContact C-N 3.3Å; S544-T546 PolarHBondContact O-N 2.85Å; S544-T546 VanDerWaalsContact O-N 3.16Å; T546-T550 PolarHBondContact O-OG1 3.46Å; T546-T550 VanDerWaalsContact O-OG1 3.14Å
547	Y	79.2	Confident	82.7	Confident	69 Å²	69	39 Å²	39	27%	0.271	20%	0.203	S	C	.	.	H	α-helix	trans	-88.5	-40	-177.1	-63.5	-71.6	0	0	0	111.3	F541 S544 P545 Q549 T550 I551	F541-Y547 AromaticContact CD1-CD2 3.92Å; F541-Y547 HydrophobicContact CD1-CD2 3.92Å; F541-Y547 HydrophobicContact CD1-CE2 4.03Å; F541-Y547 HydrophobicContact CD1-CG 4.33Å; F541-Y547 HydrophobicContact CE1-CE2 4.23Å; F541-Y547 WeakPolarHBondContact O-CB 3.49Å; S544-Y547 PolarHBondContact O-N 2.87Å; S544-Y547 VanDerWaalsContact O-N 3.14Å; P545-Y547 PolarHBondContact O-N 2.72Å; Y547-Q549 PolarHBondContact O-N 3.37Å; Y547-T550 WeakPolarHBondContact O-CB 3.48Å; Y547-T550 PolarHBondContact O-N 2.89Å; Y547-I551 WeakPolarHBondContact O-CB 3.4Å; Y547-I551 WeakPolarHBondContact O-CD1 3.41Å; Y547-I551 WeakPolarHBondContact O-CG1 3.48Å; Y547-I551 PolarHBondContact O-N 2.75Å
548	C	85.8	Confident	83.7	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.034	20%	0.2	C	C	.	.	H	α-helix	trans	-50.3	-51.5	-178.2	-164.6	0	0	0	0	113.1	Y542 S544 T550 I551 V552 V774	Y542-C548 VanDerWaalsContact O-CB 3.25Å; Y542-C548 WeakPolarHBondContact O-CB 3.37Å; Y542-C548 PolarHBondContact O-SG 3.37Å; S544-C548 WeakPolarHBondContact O-CB 3.47Å; S544-C548 PolarHBondContact O-N 2.7Å; C548-T550 PolarHBondContact O-N 3.23Å; C548-I551 PolarHBondContact O-N 2.69Å; C548-V552 WeakPolarHBondContact O-CG2 3.34Å; C548-V552 PolarHBondContact O-N 2.86Å; C548-V774 HydrophobicContact CB-CG2 4.29Å
549	Q	86.9	Confident	84.7	Confident	42 Å²	42	38.6 Å²	38.6	20%	0.196	20%	0.2	C	C	.	.	H	α-helix	trans	-58.8	-46.7	177.4	-175.1	61.5	38.6	0	0	111.9	Y547 I551 V552 E553 V774 A775	Y547-Q549 PolarHBondContact O-N 3.37Å; Q549-I551 PolarHBondContact O-N 2.6Å; Q549-V552 PolarHBondContact O-N 3.4Å; Q549-E553 WeakPolarHBondContact CG-OE1 3.25Å; Q549-E553 PolarHBondContact NE2-OE1 2.87Å; Q549-E553 WeakPolarHBondContact O-CB 3.48Å; Q549-E553 WeakPolarHBondContact O-CG 3.28Å; Q549-E553 PolarHBondContact O-N 3.4Å; Q549-V774 VanDerWaalsContact OE1-CA 3.3Å; Q549-A775 PolarHBondContact NE2-O 2.95Å
550	T	85.8	Confident	85.6	Confident	56 Å²	56	39 Å²	39	34%	0.344	20%	0.202	S	C	.	.	H	α-helix	trans	-62.8	-41.4	179.6	-51.1	0	0	0	0	111.8	L506 T546 Y547 C548 K554	L506-T550 HydrophobicContact CD2-CG2 4.28Å; L506-T550 HydrophobicContact CG-CG2 4.2Å; T546-T550 PolarHBondContact O-OG1 3.46Å; T546-T550 VanDerWaalsContact O-OG1 3.14Å; Y547-T550 WeakPolarHBondContact O-CB 3.48Å; Y547-T550 PolarHBondContact O-N 2.89Å; C548-T550 PolarHBondContact O-N 3.23Å; T550-K554 HydrophobicContact CG2-CG 4.43Å; T550-K554 VanDerWaalsContact O-CB 3.3Å; T550-K554 WeakPolarHBondContact O-CB 3.46Å; T550-K554 WeakPolarHBondContact O-CG 3.48Å; T550-K554 PolarHBondContact O-N 2.92Å
551	I	87.8	Confident	86.5	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-52.7	178.3	-68.1	160.5	0	0	0	110.2	I453 W502 L506 Y542 Y547 C548 Q549 E553 K554 V555 I588	I453-I551 HydrophobicContact CD1-CD1 3.85Å; W502-I551 HydrophobicContact CH2-CB 4.25Å; W502-I551 HydrophobicContact CH2-CG1 3.99Å; W502-I551 HydrophobicContact CH2-CG2 3.45Å; W502-I551 VanDerWaalsContact CH2-CG2 3.45Å; W502-I551 HydrophobicContact CZ2-CG2 4.24Å; W502-I551 HydrophobicContact CZ3-CB 4.1Å; W502-I551 HydrophobicContact CZ3-CG1 3.83Å; W502-I551 HydrophobicContact CZ3-CG2 3.69Å; L506-I551 HydrophobicContact CD2-CG1 3.72Å; Y542-I551 HydrophobicContact CD2-CB 4.17Å; Y542-I551 HydrophobicContact CD2-CD1 3.86Å; Y542-I551 HydrophobicContact CD2-CG2 3.78Å; Y542-I551 HydrophobicContact CE2-CB 4.37Å; Y542-I551 HydrophobicContact CE2-CG2 3.9Å; Y547-I551 WeakPolarHBondContact O-CB 3.4Å; Y547-I551 WeakPolarHBondContact O-CD1 3.41Å; Y547-I551 WeakPolarHBondContact O-CG1 3.48Å; Y547-I551 PolarHBondContact O-N 2.75Å; C548-I551 PolarHBondContact O-N 2.69Å; Q549-I551 PolarHBondContact O-N 2.6Å; I551-E553 PolarHBondContact O-N 3.39Å; I551-K554 PolarHBondContact O-N 2.7Å; I551-V555 WeakPolarHBondContact O-CG2 3.21Å; I551-V555 PolarHBondContact O-N 3.46Å; I551-I588 HydrophobicContact CG2-CD1 3.56Å; I551-I588 HydrophobicContact CG2-CG1 3.97Å; I551-I588 HydrophobicContact CG2-CG2 4.29Å
552	V	90.1	Very high	87.5	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-45.8	179.8	166.9	0	0	0	0	111.5	Y542 C548 Q549 G556 I592 V774 Y776	Y542-V552 HydrophobicContact CE2-CG2 3.91Å; C548-V552 WeakPolarHBondContact O-CG2 3.34Å; C548-V552 PolarHBondContact O-N 2.86Å; Q549-V552 PolarHBondContact O-N 3.4Å; V552-G556 PolarHBondContact O-N 2.64Å; V552-I592 HydrophobicContact CG1-CG1 4.1Å; V552-V774 HydrophobicContact CB-CG1 4.32Å; V552-V774 HydrophobicContact CG1-CG1 4.28Å; V552-V774 HydrophobicContact CG2-CG1 4.14Å; V552-Y776 HydrophobicContact CB-CD1 4.46Å; V552-Y776 HydrophobicContact CG1-CD1 3.42Å; V552-Y776 VanDerWaalsContact CG1-CD1 3.42Å; V552-Y776 HydrophobicContact CG1-CE1 3.9Å; V552-Y776 HydrophobicContact CG1-CG 4.17Å; V552-Y776 HydrophobicContact CG2-CD1 4.19Å; V552-Y776 HydrophobicContact CG2-CE1 3.79Å
553	E	89.6	Confident	88.2	Confident	74 Å²	74	38.7 Å²	38.7	35%	0.346	19%	0.194	S	C	.	.	H	α-helix	trans	-60.3	-48.2	177.1	-80.2	178.6	-160.3	0	0	111.8	Q549 I551 M557	Q549-E553 WeakPolarHBondContact CG-OE1 3.25Å; Q549-E553 PolarHBondContact NE2-OE1 2.87Å; Q549-E553 WeakPolarHBondContact O-CB 3.48Å; Q549-E553 WeakPolarHBondContact O-CG 3.28Å; Q549-E553 PolarHBondContact O-N 3.4Å; I551-E553 PolarHBondContact O-N 3.39Å; E553-M557 HydrophobicContact CB-CE 4.2Å; E553-M557 WeakPolarHBondContact O-CB 3.05Å; E553-M557 WeakPolarHBondContact O-CE 3.28Å; E553-M557 VanDerWaalsContact O-CG 3.29Å; E553-M557 WeakPolarHBondContact O-CG 3.48Å; E553-M557 PolarHBondContact O-N 3.27Å
554	K	89.5	Confident	89.1	Confident	61 Å²	61	38.3 Å²	38.3	27%	0.265	20%	0.2	S	C	.	.	H	α-helix	trans	-64.1	-47.7	-178.8	-75.1	-69.9	-166.9	162.3	0	112.3	S505 L506 T550 I551 M557 E558	S505-K554 WeakPolarHBondContact O-CE 3.1Å; S505-K554 PolarHBondContact O-NZ 2.9Å; S505-K554 VanDerWaalsContact O-NZ 3.08Å; S505-K554 PolarHBondContact OG-NZ 2.68Å; L506-K554 HydrophobicContact CD1-CB 4.18Å; L506-K554 HydrophobicContact CD1-CG 4.02Å; T550-K554 HydrophobicContact CG2-CG 4.43Å; T550-K554 VanDerWaalsContact O-CB 3.3Å; T550-K554 WeakPolarHBondContact O-CB 3.46Å; T550-K554 WeakPolarHBondContact O-CG 3.48Å; T550-K554 PolarHBondContact O-N 2.92Å; I551-K554 PolarHBondContact O-N 2.7Å; K554-M557 HydrophobicContact CD-CE 4.25Å; K554-M557 PolarHBondContact O-N 2.82Å; K554-E558 VanDerWaalsContact O-CB 3.24Å; K554-E558 WeakPolarHBondContact O-CB 3.44Å; K554-E558 PolarHBondContact O-N 3.41Å
555	V	92.4	Very high	89.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-45.3	178.4	171.7	0	0	0	0	111	V450 W502 I551 E558 I559 I588 I592	V450-V555 HydrophobicContact CG1-CG1 4.04Å; V450-V555 HydrophobicContact CG1-CG2 4.48Å; V450-V555 HydrophobicContact CG2-CG1 4.16Å; W502-V555 HydrophobicContact CB-CG2 3.95Å; W502-V555 HydrophobicContact CD2-CG2 3.46Å; W502-V555 VanDerWaalsContact CD2-CG2 3.46Å; W502-V555 HydrophobicContact CE3-CG2 3.92Å; W502-V555 HydrophobicContact CG-CG2 3.49Å; W502-V555 VanDerWaalsContact CG-CG2 3.49Å; W502-V555 HydrophobicContact CZ2-CG2 4.35Å; I551-V555 WeakPolarHBondContact O-CG2 3.21Å; I551-V555 PolarHBondContact O-N 3.46Å; V555-E558 PolarHBondContact O-N 3.09Å; V555-I559 HydrophobicContact CG1-CD1 3.72Å; V555-I559 HydrophobicContact CG1-CG1 4.48Å; V555-I559 WeakPolarHBondContact O-CB 3.37Å; V555-I559 VanDerWaalsContact O-CG1 3.27Å; V555-I559 WeakPolarHBondContact O-CG1 3.43Å; V555-I559 PolarHBondContact O-N 3.29Å; V555-I588 HydrophobicContact CB-CG2 4.05Å; V555-I588 HydrophobicContact CG1-CG2 3.97Å; V555-I588 HydrophobicContact CG2-CG2 4.09Å; V555-I592 HydrophobicContact CB-CD1 4.27Å; V555-I592 HydrophobicContact CG1-CD1 3.91Å
556	G	93.9	Very high	91.1	Very high	1 Å²	1	38 Å²	38	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-44.2	177.8	0	0	0	0	0	113.5	V552 N560	V552-G556 PolarHBondContact O-N 2.64Å; G556-N560 PolarHBondContact O-N 2.73Å; G556-N560 VanDerWaalsContact O-N 3.14Å
557	M	93.3	Very high	92.3	Very high	99 Å²	99	36.6 Å²	36.6	49%	0.488	18%	0.182	S	C	.	.	H	α-helix	trans	-64.3	-40.5	176	-75.5	-172.7	-66.2	0	0	112.3	E553 K554 N560 R561	E553-M557 HydrophobicContact CB-CE 4.2Å; E553-M557 WeakPolarHBondContact O-CB 3.05Å; E553-M557 WeakPolarHBondContact O-CE 3.28Å; E553-M557 VanDerWaalsContact O-CG 3.29Å; E553-M557 WeakPolarHBondContact O-CG 3.48Å; E553-M557 PolarHBondContact O-N 3.27Å; K554-M557 HydrophobicContact CD-CE 4.25Å; K554-M557 PolarHBondContact O-N 2.82Å; M557-N560 PolarHBondContact O-N 3.38Å; M557-R561 WeakPolarHBondContact O-CB 3.43Å; M557-R561 PolarHBondContact O-N 3.38Å
558	E	93.9	Very high	93.1	Very high	33 Å²	33	37.4 Å²	37.4	15%	0.154	20%	0.197	C	C	.	.	H	α-helix	trans	-70.7	-39.9	-178.2	-177.7	58.5	-168.7	0	0	112	V500 K554 V555 N560 R561 L562	V500-E558 HydrophobicContact CG1-CB 4.12Å; V500-E558 HydrophobicContact CG1-CG 3.79Å; K554-E558 VanDerWaalsContact O-CB 3.24Å; K554-E558 WeakPolarHBondContact O-CB 3.44Å; K554-E558 PolarHBondContact O-N 3.41Å; V555-E558 PolarHBondContact O-N 3.09Å; E558-N560 PolarHBondContact O-N 2.77Å; E558-R561 PolarHBondContact O-N 3.47Å; E558-R561 IonicContact OE1-CZ 3.79Å; E558-R561 IonicContact OE1-NE 3.23Å; E558-R561 PolarHBondContact OE1-NE 2.9Å; E558-R561 IonicContact OE1-NH2 3.4Å; E558-R561 PolarHBondContact OE1-NH2 2.84Å; E558-R561 IonicContact OE2-CZ 2.86Å; E558-R561 IonicContact OE2-NE 3.81Å; E558-R561 PolarHBondContact OE2-NE 3.48Å; E558-R561 IonicContact OE2-NH2 3.54Å; E558-L562 HydrophobicContact CG-CD1 4.03Å; E558-L562 WeakPolarHBondContact O-CB 3.43Å; E558-L562 VanDerWaalsContact O-CG 3.27Å; E558-L562 WeakPolarHBondContact O-CG 3.47Å; E558-L562 PolarHBondContact O-N 2.94Å
559	I	96	Very high	93.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.4	-47.6	171.3	-71.7	167.2	0	0	0	110.8	F448 V450 V500 V555 L562 H563 L589 L779 F781	F448-I559 HydrophobicContact CD2-CG2 4.16Å; F448-I559 HydrophobicContact CE2-CG2 4.5Å; F448-I559 HydrophobicContact CG-CG2 4.39Å; V450-I559 HydrophobicContact CG2-CD1 3.97Å; V500-I559 HydrophobicContact CG1-CG1 3.92Å; V500-I559 HydrophobicContact CG2-CG1 3.8Å; V555-I559 HydrophobicContact CG1-CD1 3.72Å; V555-I559 HydrophobicContact CG1-CG1 4.48Å; V555-I559 WeakPolarHBondContact O-CB 3.37Å; V555-I559 VanDerWaalsContact O-CG1 3.27Å; V555-I559 WeakPolarHBondContact O-CG1 3.43Å; V555-I559 PolarHBondContact O-N 3.29Å; I559-L562 PolarHBondContact O-N 2.69Å; I559-H563 WeakPolarHBondContact O-CB 3.39Å; I559-H563 PolarHBondContact O-N 3.44Å; I559-L589 HydrophobicContact CD1-CD2 3.86Å; I559-L779 HydrophobicContact CB-CD2 4.32Å; I559-L779 HydrophobicContact CG2-CD2 3.84Å; I559-F781 HydrophobicContact CG2-CE1 3.6Å; I559-F781 HydrophobicContact CG2-CZ 3.55Å
560	N	96.5	Very high	93.8	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.112	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-38	178.7	-74.6	6.7	0	0	0	112.3	G556 M557 E558 H563 A564 S778 L779 D780	G556-N560 PolarHBondContact O-N 2.73Å; G556-N560 VanDerWaalsContact O-N 3.14Å; M557-N560 PolarHBondContact O-N 3.38Å; E558-N560 PolarHBondContact O-N 2.77Å; N560-H563 PolarHBondContact O-N 2.99Å; N560-A564 WeakPolarHBondContact O-CB 3.34Å; N560-A564 PolarHBondContact O-N 2.9Å; N560-S778 PolarHBondContact ND2-O 2.86Å; N560-L779 WeakPolarHBondContact OD1-CA 3.4Å; N560-D780 VanDerWaalsContact CB-OD2 3.3Å; N560-D780 WeakPolarHBondContact CB-OD2 3.25Å; N560-D780 PolarHBondContact ND2-N 3.42Å; N560-D780 PolarHBondContact ND2-OD2 3.42Å; N560-D780 PolarHBondContact OD1-N 3.49Å; N560-D780 VanDerWaalsContact OD1-N 3.09Å
561	R	96.1	Very high	94.2	Very high	106 Å²	106	42.9 Å²	42.9	40%	0.4	23%	0.225	S	C	.	.	H	α-helix	trans	-60.4	-49.7	173.8	-172.3	-167.6	72.2	82.7	-0.8	111.2	Y332 M557 E558 H563 A564 L565	Y332-R561 PolarHBondContact O-NH2 3.03Å; M557-R561 WeakPolarHBondContact O-CB 3.43Å; M557-R561 PolarHBondContact O-N 3.38Å; E558-R561 PolarHBondContact O-N 3.47Å; E558-R561 IonicContact OE1-CZ 3.79Å; E558-R561 IonicContact OE1-NE 3.23Å; E558-R561 PolarHBondContact OE1-NE 2.9Å; E558-R561 IonicContact OE1-NH2 3.4Å; E558-R561 PolarHBondContact OE1-NH2 2.84Å; E558-R561 IonicContact OE2-CZ 2.86Å; E558-R561 IonicContact OE2-NE 3.81Å; E558-R561 PolarHBondContact OE2-NE 3.48Å; E558-R561 IonicContact OE2-NH2 3.54Å; R561-H563 VanDerWaalsContact C-N 3.34Å; R561-A564 PolarHBondContact O-N 3.28Å; R561-L565 VanDerWaalsContact O-CB 3.25Å; R561-L565 WeakPolarHBondContact O-CB 3.41Å; R561-L565 PolarHBondContact O-N 3.17Å
562	L	96.9	Very high	94.4	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-38.5	179.2	-70.9	168.5	0	0	0	111.5	Y332 F448 V500 E558 I559 L565 F566	Y332-L562 HydrophobicContact CD1-CD2 4.24Å; Y332-L562 WeakPolarHBondContact O-CD2 3.31Å; F448-L562 HydrophobicContact CD1-CB 4.23Å; F448-L562 HydrophobicContact CE1-CB 3.65Å; V500-L562 HydrophobicContact CB-CD1 4.45Å; V500-L562 HydrophobicContact CG2-CD1 4.16Å; E558-L562 HydrophobicContact CG-CD1 4.03Å; E558-L562 WeakPolarHBondContact O-CB 3.43Å; E558-L562 VanDerWaalsContact O-CG 3.27Å; E558-L562 WeakPolarHBondContact O-CG 3.47Å; E558-L562 PolarHBondContact O-N 2.94Å; I559-L562 PolarHBondContact O-N 2.69Å; L562-L565 PolarHBondContact O-N 3.38Å; L562-F566 VanDerWaalsContact O-CB 3.28Å; L562-F566 WeakPolarHBondContact O-CB 3.49Å; L562-F566 PolarHBondContact O-N 3.3Å
563	H	97.1	Very high	94.7	Very high	27 Å²	27	50 Å²	50	13%	0.125	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-51.3	173.4	178.2	-114	0	0	0	112.5	F448 I559 N560 R561 L565 F566 M567 F781	F448-H563 HydrophobicContact CE2-CB 4.09Å; F448-H563 HydrophobicContact CZ-CB 3.71Å; I559-H563 WeakPolarHBondContact O-CB 3.39Å; I559-H563 PolarHBondContact O-N 3.44Å; N560-H563 PolarHBondContact O-N 2.99Å; R561-H563 VanDerWaalsContact C-N 3.34Å; H563-L565 VanDerWaalsContact C-N 3.26Å; H563-L565 PolarHBondContact O-N 3.33Å; H563-F566 PolarHBondContact O-N 3.04Å; H563-M567 WeakPolarHBondContact O-CB 3.4Å; H563-M567 WeakPolarHBondContact O-CG 3.42Å; H563-M567 PolarHBondContact O-N 3.22Å; H563-F781 HydrophobicContact CB-CD1 3.97Å; H563-F781 HydrophobicContact CB-CE1 3.85Å; H563-F781 AromaticContact CD2-CD1 3.75Å; H563-F781 AromaticContact CE1-CD1 3.84Å; H563-F781 AromaticContact CG-CD1 3.49Å; H563-F781 VanDerWaalsContact CG-CD1 3.49Å; H563-F781 AromaticContact CG-CE1 3.88Å; H563-F781 AromaticContact ND1-CD1 3.56Å; H563-F781 AromaticContact NE2-CD1 3.97Å
564	A	97.2	Very high	94.7	Very high	58 Å²	58	54.6 Å²	54.6	48%	0.479	28%	0.281	S	S	.	.	H	α-helix	trans	-60.7	-36.7	177.5	0	0	0	0	0	112.3	N560 R561 S568	N560-A564 WeakPolarHBondContact O-CB 3.34Å; N560-A564 PolarHBondContact O-N 2.9Å; R561-A564 PolarHBondContact O-N 3.28Å; A564-S568 WeakPolarHBondContact O-CB 3.49Å; A564-S568 PolarHBondContact O-N 2.76Å; A564-S568 PolarHBondContact O-OG 3.06Å
565	L	96.8	Very high	94.8	Very high	45 Å²	45	53 Å²	53	24%	0.236	28%	0.282	C	S	.	.	H	α-helix	trans	-70.1	-44	175.9	-177.7	55.3	0	0	0	112.2	A331 Y332 R561 L562 H563 S568 R569	A331-L565 WeakPolarHBondContact O-CD2 3.18Å; Y332-L565 HydrophobicContact CD1-CD2 4.01Å; Y332-L565 HydrophobicContact CD1-CG 4.12Å; Y332-L565 HydrophobicContact CE1-CD2 4.49Å; Y332-L565 HydrophobicContact CE1-CG 4.1Å; R561-L565 VanDerWaalsContact O-CB 3.25Å; R561-L565 WeakPolarHBondContact O-CB 3.41Å; R561-L565 PolarHBondContact O-N 3.17Å; L562-L565 PolarHBondContact O-N 3.38Å; H563-L565 VanDerWaalsContact C-N 3.26Å; H563-L565 PolarHBondContact O-N 3.33Å; L565-S568 PolarHBondContact O-N 3.35Å; L565-S568 PolarHBondContact O-OG 3.1Å; L565-R569 HydrophobicContact CD1-CG 4.37Å; L565-R569 WeakPolarHBondContact O-CG 3.18Å; L565-R569 PolarHBondContact O-N 3.36Å
566	F	96.8	Very high	94.9	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-45.8	175.8	-179.2	-90	0	0	0	111.4	Y332 V443 L446 E496 L498 L562 H563 S568 R569 N570 F573	Y332-F566 HydrophobicContact CE1-CB 4.06Å; Y332-F566 HydrophobicContact CE1-CD2 4.31Å; Y332-F566 WeakPolarHBondContact OH-CD2 3.32Å; V443-F566 HydrophobicContact CB-CZ 4.13Å; V443-F566 HydrophobicContact CG1-CZ 4.11Å; V443-F566 HydrophobicContact CG2-CE2 4.41Å; V443-F566 HydrophobicContact CG2-CZ 4.2Å; L446-F566 HydrophobicContact CB-CE1 4.5Å; L446-F566 HydrophobicContact CD1-CD2 3.97Å; L446-F566 HydrophobicContact CD1-CE1 4.45Å; L446-F566 HydrophobicContact CD1-CE2 3.91Å; L446-F566 HydrophobicContact CD1-CG 4.27Å; L446-F566 HydrophobicContact CD1-CZ 4.17Å; L446-F566 HydrophobicContact CD2-CB 4.26Å; L446-F566 HydrophobicContact CD2-CD1 3.59Å; L446-F566 HydrophobicContact CD2-CD2 4.34Å; L446-F566 HydrophobicContact CD2-CE1 3.95Å; L446-F566 HydrophobicContact CD2-CG 3.79Å; L446-F566 HydrophobicContact CD2-CZ 4.48Å; E496-F566 HydrophobicContact CG-CE2 4.24Å; L498-F566 HydrophobicContact CD1-CB 4.29Å; L498-F566 HydrophobicContact CD1-CD2 4.05Å; L498-F566 HydrophobicContact CD1-CG 4.5Å; L562-F566 VanDerWaalsContact O-CB 3.28Å; L562-F566 WeakPolarHBondContact O-CB 3.49Å; L562-F566 PolarHBondContact O-N 3.3Å; H563-F566 PolarHBondContact O-N 3.04Å; F566-S568 VanDerWaalsContact C-N 3.33Å; F566-S568 PolarHBondContact O-N 3.09Å; F566-R569 PolarHBondContact O-N 2.85Å; F566-N570 HydrophobicContact CD1-CB 4.48Å; F566-N570 WeakPolarHBondContact CD2-ND2 3.28Å; F566-N570 HydrophobicContact CE1-CB 4.13Å; F566-N570 WeakPolarHBondContact CE2-ND2 3.3Å; F566-N570 HydrophobicContact CZ-CB 4.25Å; F566-N570 WeakPolarHBondContact O-CB 3.36Å; F566-N570 PolarHBondContact O-N 2.83Å; F566-N570 PolarHBondContact O-ND2 2.71Å; F566-F573 HydrophobicContact CE1-CB 4.2Å; F566-F573 AromaticContact CE1-CD1 3.93Å; F566-F573 HydrophobicContact CE1-CD1 3.93Å; F566-F573 AromaticContact CE1-CD2 3.8Å; F566-F573 HydrophobicContact CE1-CD2 3.8Å; F566-F573 HydrophobicContact CE1-CE1 4.2Å; F566-F573 HydrophobicContact CE1-CE2 4.09Å; F566-F573 AromaticContact CE1-CG 3.7Å; F566-F573 HydrophobicContact CE1-CG 3.7Å; F566-F573 HydrophobicContact CE1-CZ 4.27Å; F566-F573 HydrophobicContact CZ-CD2 4.09Å; F566-F573 HydrophobicContact CZ-CE2 4.29Å; F566-F573 HydrophobicContact CZ-CG 4.41Å
567	M	96.3	Very high	95.1	Very high	67 Å²	67	54.2 Å²	54.2	33%	0.33	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-31.1	178.3	-66.6	-54.8	-62.3	0	0	113	H563 N570 F573	H563-M567 WeakPolarHBondContact O-CB 3.4Å; H563-M567 WeakPolarHBondContact O-CG 3.42Å; H563-M567 PolarHBondContact O-N 3.22Å; M567-N570 CarbonylContact O-C 3.58Å; M567-F573 HydrophobicContact CE-CB 4.47Å; M567-F573 HydrophobicContact CE-CD1 4.21Å; M567-F573 HydrophobicContact SD-CB 4.41Å; M567-F573 HydrophobicContact SD-CD1 3.66Å; M567-F573 HydrophobicContact SD-CE1 4.42Å; M567-F573 HydrophobicContact SD-CG 4.43Å
568	S	95.8	Very high	95.3	Very high	85 Å²	85	49.5 Å²	49.5	59%	0.594	27%	0.268	S	S	*	.	H	α-helix	trans	-74.6	-29.9	175.1	66.4	0	0	0	0	113.2	A564 L565 F566	A564-S568 WeakPolarHBondContact O-CB 3.49Å; A564-S568 PolarHBondContact O-N 2.76Å; A564-S568 PolarHBondContact O-OG 3.06Å; L565-S568 PolarHBondContact O-N 3.35Å; L565-S568 PolarHBondContact O-OG 3.1Å; F566-S568 VanDerWaalsContact C-N 3.33Å; F566-S568 PolarHBondContact O-N 3.09Å
569	R	93.9	Very high	95.5	Very high	78 Å²	78	47.9 Å²	47.9	29%	0.294	26%	0.261	S	S	.	.	H	α-helix	trans	-81.5	-28.4	173	-67.8	173.9	67.2	84.8	-3.1	113.4	G317 D320 L565 F566 P571	G317-R569 PolarHBondContact O-NH2 3.39Å; D320-R569 IonicContact OD1-CZ 3.23Å; D320-R569 IonicContact OD1-NH1 3.5Å; D320-R569 PolarHBondContact OD1-NH1 2.95Å; D320-R569 IonicContact OD1-NH2 3.84Å; D320-R569 PolarHBondContact OD1-NH2 2.79Å; D320-R569 IonicContact OD2-CZ 3.37Å; D320-R569 IonicContact OD2-NH1 2.67Å; D320-R569 PolarHBondContact OD2-NH1 2.86Å; D320-R569 IonicContact OD2-NH2 3.03Å; L565-R569 HydrophobicContact CD1-CG 4.37Å; L565-R569 WeakPolarHBondContact O-CG 3.18Å; L565-R569 PolarHBondContact O-N 3.36Å; F566-R569 PolarHBondContact O-N 2.85Å; R569-P571 VanDerWaalsContact C-CD 3.41Å; R569-P571 VanDerWaalsContact O-CD 3.31Å; R569-P571 WeakPolarHBondContact O-CD 3.47Å
570	N	94.5	Very high	95.6	Very high	35 Å²	35	48 Å²	48	19%	0.187	26%	0.262	C	S	.	.			trans	-121.1	64	-176.4	-56.4	-87.3	0	0	0	111.5	Y332 F566 M567 D572 F573	Y332-N570 PolarHBondContact OH-ND2 2.86Å; F566-N570 HydrophobicContact CD1-CB 4.48Å; F566-N570 WeakPolarHBondContact CD2-ND2 3.28Å; F566-N570 HydrophobicContact CE1-CB 4.13Å; F566-N570 WeakPolarHBondContact CE2-ND2 3.3Å; F566-N570 HydrophobicContact CZ-CB 4.25Å; F566-N570 WeakPolarHBondContact O-CB 3.36Å; F566-N570 PolarHBondContact O-N 2.83Å; F566-N570 PolarHBondContact O-ND2 2.71Å; M567-N570 CarbonylContact O-C 3.58Å; N570-D572 PolarHBondContact O-N 2.72Å; N570-D572 VanDerWaalsContact O-N 3.09Å; N570-F573 HydrophobicContact CB-CB 4.06Å; N570-F573 WeakPolarHBondContact O-CB 3.49Å; N570-F573 PolarHBondContact O-N 3.2Å
571	P	93.4	Very high	95.6	Very high	105 Å²	105	47.1 Å²	47.1	68%	0.682	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.6	-173.2	27.5	-36.9	0	0	0	114.2	R569	R569-P571 VanDerWaalsContact C-CD 3.41Å; R569-P571 VanDerWaalsContact O-CD 3.31Å; R569-P571 WeakPolarHBondContact O-CD 3.47Å
572	D	92.4	Very high	95.4	Very high	126 Å²	126	42.4 Å²	42.4	67%	0.674	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	0.3	175.6	-96.7	-59.9	0	0	0	114.3	N570 K574	N570-D572 PolarHBondContact O-N 2.72Å; N570-D572 VanDerWaalsContact O-N 3.09Å; D572-K574 WeakPolarHBondContact O-CG 3.35Å; D572-K574 PolarHBondContact O-N 3.29Å; D572-K574 PolarHBondContact O-NZ 2.84Å; D572-K574 IonicContact OD1-NZ 2.72Å; D572-K574 PolarHBondContact OD1-NZ 2.81Å
573	F	95.3	Very high	95.1	Very high	26 Å²	26	42.5 Å²	42.5	11%	0.114	24%	0.24	C	C	.	.			trans	-62.9	129.7	178.3	-179.6	-103.2	0	0	0	111.7	V443 L446 F566 M567 N570 G575 V577	V443-F573 HydrophobicContact CB-CD2 4.27Å; V443-F573 HydrophobicContact CB-CE2 4.23Å; V443-F573 HydrophobicContact CG1-CD2 4.46Å; V443-F573 HydrophobicContact CG1-CE2 3.95Å; V443-F573 WeakPolarHBondContact O-CD2 3.36Å; V443-F573 WeakPolarHBondContact O-CE2 3.3Å; L446-F573 HydrophobicContact CB-CZ 4.01Å; F566-F573 HydrophobicContact CE1-CB 4.2Å; F566-F573 AromaticContact CE1-CD1 3.93Å; F566-F573 HydrophobicContact CE1-CD1 3.93Å; F566-F573 AromaticContact CE1-CD2 3.8Å; F566-F573 HydrophobicContact CE1-CD2 3.8Å; F566-F573 HydrophobicContact CE1-CE1 4.2Å; F566-F573 HydrophobicContact CE1-CE2 4.09Å; F566-F573 AromaticContact CE1-CG 3.7Å; F566-F573 HydrophobicContact CE1-CG 3.7Å; F566-F573 HydrophobicContact CE1-CZ 4.27Å; F566-F573 HydrophobicContact CZ-CD2 4.09Å; F566-F573 HydrophobicContact CZ-CE2 4.29Å; F566-F573 HydrophobicContact CZ-CG 4.41Å; M567-F573 HydrophobicContact CE-CB 4.47Å; M567-F573 HydrophobicContact CE-CD1 4.21Å; M567-F573 HydrophobicContact SD-CB 4.41Å; M567-F573 HydrophobicContact SD-CD1 3.66Å; M567-F573 HydrophobicContact SD-CE1 4.42Å; M567-F573 HydrophobicContact SD-CG 4.43Å; N570-F573 HydrophobicContact CB-CB 4.06Å; N570-F573 WeakPolarHBondContact O-CB 3.49Å; N570-F573 PolarHBondContact O-N 3.2Å; F573-G575 WeakPolarHBondContact CE1-O 3.44Å; F573-G575 VanDerWaalsContact CZ-CA 3.43Å; F573-V577 HydrophobicContact CE1-CG2 4.18Å
574	K	90.6	Very high	94.7	Very high	171 Å²	171	41.2 Å²	41.2	74%	0.743	24%	0.235	S	C	*	.			trans	-134.1	16	-177.6	-64.2	167.1	-166.9	86.1	0	111.4	D572	D572-K574 WeakPolarHBondContact O-CG 3.35Å; D572-K574 PolarHBondContact O-N 3.29Å; D572-K574 PolarHBondContact O-NZ 2.84Å; D572-K574 IonicContact OD1-NZ 2.72Å; D572-K574 PolarHBondContact OD1-NZ 2.81Å
575	G	92.6	Very high	94.5	Very high	27 Å²	27	38.5 Å²	38.5	28%	0.278	21%	0.212	S	C	.	.			trans	-80.9	170.4	-177.5	0	0	0	0	0	113.5	D444 F573	D444-G575 WeakPolarHBondContact O-CA 3.49Å; F573-G575 WeakPolarHBondContact CE1-O 3.44Å; F573-G575 VanDerWaalsContact CZ-CA 3.43Å
576	G	94.3	Very high	94.4	Very high	12 Å²	12	36.3 Å²	36.3	12%	0.124	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	160.8	167.2	0	0	0	0	0	111.4	H445 L446	H445-G576 WeakPolarHBondContact CA-O 3.26Å; H445-G576 PolarHBondContact CD2-O 3.08Å; H445-G576 VanDerWaalsContact CE1-CA 3.44Å; H445-G576 WeakPolarHBondContact CE1-CA 3.5Å; H445-G576 VanDerWaalsContact CG-O 3.3Å; H445-G576 WeakPolarHBondContact ND1-CA 3.35Å; H445-G576 PolarHBondContact ND1-O 2.86Å; L446-G576 PolarHBondContact N-O 2.98Å
577	V	97.4	Very high	94.2	Very high	14 Å²	14	36.2 Å²	36.2	9%	0.085	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.7	172.5	-171.5	0	0	0	0	108.2	L446 F448 F573 F781 P783 E784	L446-V577 HydrophobicContact CB-CG1 4.33Å; L446-V577 HydrophobicContact CB-CG2 4.4Å; L446-V577 HydrophobicContact CD2-CG1 4.29Å; L446-V577 HydrophobicContact CG-CG1 4.4Å; L446-V577 CarbonylContact O-C 3.47Å; L446-V577 WeakPolarHBondContact O-CA 3.41Å; F448-V577 HydrophobicContact CD2-CG1 3.98Å; F448-V577 HydrophobicContact CE2-CG1 3.64Å; F573-V577 HydrophobicContact CE1-CG2 4.18Å; V577-F781 HydrophobicContact CB-CD2 3.87Å; V577-F781 HydrophobicContact CB-CE2 4.13Å; V577-F781 HydrophobicContact CG1-CD2 3.58Å; V577-F781 HydrophobicContact CG1-CE2 3.36Å; V577-F781 HydrophobicContact CG1-CG 4.39Å; V577-F781 HydrophobicContact CG1-CZ 4.04Å; V577-P783 CarbonylContact O-C 3.53Å; V577-P783 VanDerWaalsContact O-CA 3.28Å; V577-P783 WeakPolarHBondContact O-CA 3.43Å; V577-E784 PolarHBondContact O-N 3.41Å
578	S	98	Very high	94.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	168.4	178	-72.6	0	0	0	0	110.6	H445 L446 V447 F448 I785	H445-S578 WeakPolarHBondContact NE2-CB 3.15Å; H445-S578 PolarHBondContact NE2-OG 2.9Å; L446-S578 PolarHBondContact O-N 2.77Å; V447-S578 WeakPolarHBondContact CA-O 3.42Å; F448-S578 PolarHBondContact N-O 2.77Å; S578-I785 WeakPolarHBondContact CA-O 3.31Å; S578-I785 WeakPolarHBondContact CB-O 3.4Å; S578-I785 PolarHBondContact OG-N 2.77Å; S578-I785 PolarHBondContact OG-O 2.82Å
579	V	98	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.7	173	-60.6	0	0	0	0	110.6	F448 L589 L593 F781 P783 I785 F786 F787	F448-V579 HydrophobicContact CB-CG1 4.34Å; F448-V579 CarbonylContact O-C 3.5Å; F448-V579 WeakPolarHBondContact O-CA 3.37Å; V579-L589 HydrophobicContact CB-CD1 3.96Å; V579-L589 HydrophobicContact CB-CD2 4.07Å; V579-L589 HydrophobicContact CG1-CD2 4.32Å; V579-L589 HydrophobicContact CG2-CD1 4.1Å; V579-L589 HydrophobicContact CG2-CD2 4.15Å; V579-L593 HydrophobicContact CG2-CD1 3.94Å; V579-F781 HydrophobicContact CG1-CE2 4.47Å; V579-P783 HydrophobicContact CG1-CB 4.36Å; V579-P783 HydrophobicContact CG1-CG 4.35Å; V579-P783 HydrophobicContact CG2-CB 4.49Å; V579-I785 PolarHBondContact N-O 3.44Å; V579-F786 HydrophobicContact CG2-CB 3.97Å; V579-F786 HydrophobicContact CG2-CD2 3.77Å; V579-F786 HydrophobicContact CG2-CG 4.02Å; V579-F786 WeakPolarHBondContact O-CA 3.27Å; V579-F787 PolarHBondContact O-N 2.8Å
580	A	97.9	Very high	94.2	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.025	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.1	174.8	0	0	0	0	0	109	V447 F448 V449 V450 F787	V447-A580 HydrophobicContact CG1-CB 3.82Å; F448-A580 PolarHBondContact O-N 2.88Å; V449-A580 CarbonylContact C-O 3.55Å; V449-A580 WeakPolarHBondContact CA-O 3.46Å; V449-A580 HydrophobicContact CG2-CB 4.44Å; V450-A580 PolarHBondContact N-O 2.82Å; A580-F787 CarbonylContact C-O 3.57Å; A580-F787 VanDerWaalsContact CA-O 3.27Å; A580-F787 WeakPolarHBondContact CA-O 3.19Å; A580-F787 HydrophobicContact CB-CB 4.32Å
581	G	95.4	Very high	94.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.8	172.2	0	0	0	0	0	110.3	V450 S586 F787 L789	V450-G581 CarbonylContact O-C 3.57Å; V450-G581 WeakPolarHBondContact O-CA 3.44Å; G581-S586 VanDerWaalsContact C-OG 3.27Å; G581-S586 PolarHBondContact O-OG 2.76Å; G581-S586 VanDerWaalsContact O-OG 3.13Å; G581-F787 PolarHBondContact N-O 2.85Å; G581-L789 VanDerWaalsContact O-CB 3.31Å; G581-L789 WeakPolarHBondContact O-CB 3.22Å; G581-L789 WeakPolarHBondContact O-CG 3.37Å; G581-L789 PolarHBondContact O-N 2.97Å
582	H	92.8	Very high	94.2	Very high	7 Å²	7	19.3 Å²	19.3	3%	0.032	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.8	163.7	170.6	-100.4	0	0	0	109.7	V450 G452 L584 G585 L789 H970 Y973 W974	V450-H582 PolarHBondContact O-N 2.69Å; G452-H582 PolarHBondContact N-O 3.27Å; H582-L584 PolarHBondContact O-N 3.43Å; H582-G585 WeakPolarHBondContact O-CA 3.22Å; H582-G585 PolarHBondContact O-N 3.26Å; H582-L789 CarbonylContact C-O 3.59Å; H582-L789 WeakPolarHBondContact CA-O 3.27Å; H582-L789 HydrophobicContact CB-CB 4.47Å; H582-H970 AromaticContact CE1-NE2 3.76Å; H582-H970 AromaticContact NE2-NE2 3.83Å; H582-H970 PolarHBondContact NE2-O 2.82Å; H582-Y973 AromaticContact CD2-CD2 3.71Å; H582-Y973 AromaticContact NE2-CD2 3.83Å; H582-W974 HydrophobicContact CB-CH2 3.58Å; H582-W974 HydrophobicContact CB-CZ2 3.53Å; H582-W974 AromaticContact CG-CZ2 3.53Å; H582-W974 AromaticContact ND1-CZ2 3.75Å
583	S	89.8	Confident	94.3	Very high	4 Å²	4	13.3 Å²	13.3	3%	0.028	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	-132.6	-180	-164.8	0	0	0	0	111.5	G585 S586 L789 P792 H970	S583-G585 PolarHBondContact O-N 2.64Å; S583-G585 VanDerWaalsContact O-N 3.15Å; S583-S586 WeakPolarHBondContact O-CB 3.38Å; S583-S586 PolarHBondContact O-N 2.65Å; S583-S586 PolarHBondContact O-OG 2.91Å; S583-L789 PolarHBondContact N-O 2.89Å; S583-P792 VanDerWaalsContact O-CD 3.32Å; S583-P792 WeakPolarHBondContact O-CD 3.34Å; S583-H970 WeakPolarHBondContact CB-NE2 3.43Å; S583-H970 PolarHBondContact OG-CE1 2.82Å; S583-H970 VanDerWaalsContact OG-CE1 3.26Å; S583-H970 PolarHBondContact OG-NE2 2.81Å
584	L	89.4	Confident	94.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-51.9	-30.8	173.3	176.8	69.5	0	0	0	113.5	I453 D538 Y542 H582 S586 L587 I588	I453-L584 HydrophobicContact CB-CD2 4.5Å; I453-L584 HydrophobicContact CD1-CD2 3.63Å; I453-L584 HydrophobicContact CG1-CD2 3.89Å; D538-L584 HydrophobicContact CB-CD2 3.82Å; Y542-L584 HydrophobicContact CD1-CD1 3.91Å; Y542-L584 HydrophobicContact CG-CD1 3.88Å; H582-L584 PolarHBondContact O-N 3.43Å; L584-S586 PolarHBondContact O-N 3.32Å; L584-S586 VanDerWaalsContact O-N 3.14Å; L584-L587 HydrophobicContact CD1-CB 4.24Å; L584-L587 HydrophobicContact CD1-CD2 3.94Å; L584-L587 WeakPolarHBondContact O-CA 3.49Å; L584-L587 WeakPolarHBondContact O-CB 3.18Å; L584-L587 PolarHBondContact O-N 3.28Å; L584-I588 HydrophobicContact CD2-CD1 4.19Å; L584-I588 HydrophobicContact CG-CD1 3.96Å; L584-I588 HydrophobicContact CG-CG1 4.21Å; L584-I588 PolarHBondContact O-N 2.86Å
585	G	92.7	Very high	94.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-56	-29.7	175	0	0	0	0	0	113.2	H451 H582 S583 L589	H451-G585 VanDerWaalsContact O-CA 3.31Å; H451-G585 WeakPolarHBondContact O-CA 3.33Å; H582-G585 WeakPolarHBondContact O-CA 3.22Å; H582-G585 PolarHBondContact O-N 3.26Å; S583-G585 PolarHBondContact O-N 2.64Å; S583-G585 VanDerWaalsContact O-N 3.15Å; G585-L589 WeakPolarHBondContact O-CB 3.39Å; G585-L589 WeakPolarHBondContact O-CG 3.39Å; G585-L589 PolarHBondContact O-N 3Å
586	S	94.8	Very high	94	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.3	-42.3	170.9	-55.2	0	0	0	0	112.6	G581 S583 L584 F590 F786 L789 S791	G581-S586 VanDerWaalsContact C-OG 3.27Å; G581-S586 PolarHBondContact O-OG 2.76Å; G581-S586 VanDerWaalsContact O-OG 3.13Å; S583-S586 WeakPolarHBondContact O-CB 3.38Å; S583-S586 PolarHBondContact O-N 2.65Å; S583-S586 PolarHBondContact O-OG 2.91Å; L584-S586 PolarHBondContact O-N 3.32Å; L584-S586 VanDerWaalsContact O-N 3.14Å; S586-F590 WeakPolarHBondContact O-CB 3.31Å; S586-F590 PolarHBondContact O-N 2.85Å; S586-F786 VanDerWaalsContact O-CZ 3.26Å; S586-F786 WeakPolarHBondContact O-CZ 3.47Å; S586-L789 PolarHBondContact OG-N 3.07Å; S586-S791 WeakPolarHBondContact CB-OG 3.33Å
587	L	93.4	Very high	93.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-69.8	-41.8	178.4	178	67.4	0	0	0	111.7	Y542 L584 L589 F590 D591 I793 F796	Y542-L587 HydrophobicContact CD1-CD2 3.54Å; Y542-L587 HydrophobicContact CD1-CG 4.18Å; Y542-L587 HydrophobicContact CE1-CD2 3.61Å; Y542-L587 HydrophobicContact CE1-CG 3.77Å; L584-L587 HydrophobicContact CD1-CB 4.24Å; L584-L587 HydrophobicContact CD1-CD2 3.94Å; L584-L587 WeakPolarHBondContact O-CA 3.49Å; L584-L587 WeakPolarHBondContact O-CB 3.18Å; L584-L587 PolarHBondContact O-N 3.28Å; L587-L589 VanDerWaalsContact C-N 3.33Å; L587-L589 PolarHBondContact O-N 3.49Å; L587-F590 PolarHBondContact O-N 3.44Å; L587-D591 PolarHBondContact O-N 3.18Å; L587-I793 HydrophobicContact CB-CG1 4.37Å; L587-I793 HydrophobicContact CD1-CG1 4.35Å; L587-F796 HydrophobicContact CD1-CB 3.85Å; L587-F796 HydrophobicContact CD1-CG 4.22Å; L587-F796 HydrophobicContact CD2-CB 3.92Å; L587-F796 HydrophobicContact CD2-CD1 3.39Å; L587-F796 HydrophobicContact CD2-CD2 3.56Å; L587-F796 HydrophobicContact CD2-CE1 3.55Å; L587-F796 HydrophobicContact CD2-CE2 3.72Å; L587-F796 HydrophobicContact CD2-CG 3.34Å; L587-F796 HydrophobicContact CD2-CZ 3.67Å; L587-F796 HydrophobicContact CG-CG 4.42Å
588	I	93.3	Very high	91.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.4	-46	177.6	-59.2	162.9	0	0	0	110	W502 Y542 I551 V555 L584 I592	W502-I588 HydrophobicContact CH2-CD1 3.98Å; W502-I588 HydrophobicContact CZ2-CD1 3.58Å; Y542-I588 HydrophobicContact CD2-CG1 3.95Å; Y542-I588 HydrophobicContact CE2-CB 4.49Å; Y542-I588 HydrophobicContact CE2-CG1 3.68Å; I551-I588 HydrophobicContact CG2-CD1 3.56Å; I551-I588 HydrophobicContact CG2-CG1 3.97Å; I551-I588 HydrophobicContact CG2-CG2 4.29Å; V555-I588 HydrophobicContact CB-CG2 4.05Å; V555-I588 HydrophobicContact CG1-CG2 3.97Å; V555-I588 HydrophobicContact CG2-CG2 4.09Å; L584-I588 HydrophobicContact CD2-CD1 4.19Å; L584-I588 HydrophobicContact CG-CD1 3.96Å; L584-I588 HydrophobicContact CG-CG1 4.21Å; L584-I588 PolarHBondContact O-N 2.86Å; I588-I592 HydrophobicContact CG2-CD1 3.86Å; I588-I592 WeakPolarHBondContact O-CB 3.17Å; I588-I592 VanDerWaalsContact O-CG1 3.26Å; I588-I592 WeakPolarHBondContact O-CG1 3.34Å; I588-I592 PolarHBondContact O-N 3.18Å
589	L	95.9	Very high	90	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-42.8	173.9	-78.2	174.5	0	0	0	112.5	V450 I559 V579 G585 L587 D591 I592 L593 F786	V450-L589 HydrophobicContact CB-CD1 3.92Å; V450-L589 HydrophobicContact CB-CG 4.13Å; V450-L589 HydrophobicContact CG2-CD1 3.82Å; V450-L589 HydrophobicContact CG2-CD2 3.91Å; V450-L589 HydrophobicContact CG2-CG 3.88Å; I559-L589 HydrophobicContact CD1-CD2 3.86Å; V579-L589 HydrophobicContact CB-CD1 3.96Å; V579-L589 HydrophobicContact CB-CD2 4.07Å; V579-L589 HydrophobicContact CG1-CD2 4.32Å; V579-L589 HydrophobicContact CG2-CD1 4.1Å; V579-L589 HydrophobicContact CG2-CD2 4.15Å; G585-L589 WeakPolarHBondContact O-CB 3.39Å; G585-L589 WeakPolarHBondContact O-CG 3.39Å; G585-L589 PolarHBondContact O-N 3Å; L587-L589 VanDerWaalsContact C-N 3.33Å; L587-L589 PolarHBondContact O-N 3.49Å; L589-D591 PolarHBondContact O-N 2.82Å; L589-I592 PolarHBondContact O-N 3.39Å; L589-L593 WeakPolarHBondContact O-CB 3.29Å; L589-L593 WeakPolarHBondContact O-CG 3.22Å; L589-L593 PolarHBondContact O-N 3.15Å; L589-F786 HydrophobicContact CB-CD2 4.48Å; L589-F786 HydrophobicContact CB-CE1 4.26Å; L589-F786 HydrophobicContact CB-CE2 3.81Å; L589-F786 HydrophobicContact CB-CZ 3.71Å; L589-F786 HydrophobicContact CD1-CD2 4.28Å; L589-F786 HydrophobicContact CD1-CE2 3.81Å; L589-F786 HydrophobicContact CG-CE2 4.5Å
590	F	95.4	Very high	87.6	Confident	8 Å²	8	27.4 Å²	27.4	4%	0.035	14%	0.141	C	C	.	.	H	α-helix	trans	-59.1	-46.7	177.8	-173.9	-90.8	0	0	0	111.8	S586 L587 L593 S594 F786 I793 L797 Y809 L811 F817	S586-F590 WeakPolarHBondContact O-CB 3.31Å; S586-F590 PolarHBondContact O-N 2.85Å; L587-F590 PolarHBondContact O-N 3.44Å; F590-L593 PolarHBondContact O-N 3.31Å; F590-S594 WeakPolarHBondContact CE1-OG 3.38Å; F590-S594 VanDerWaalsContact O-CB 3.24Å; F590-S594 WeakPolarHBondContact O-CB 3.35Å; F590-S594 PolarHBondContact O-N 3.4Å; F590-S594 PolarHBondContact O-OG 3.01Å; F590-F786 HydrophobicContact CB-CE1 3.97Å; F590-F786 HydrophobicContact CD2-CE1 4.28Å; F590-I793 HydrophobicContact CB-CD1 3.7Å; F590-I793 HydrophobicContact CB-CG1 3.97Å; F590-I793 HydrophobicContact CD1-CG2 4.11Å; F590-I793 HydrophobicContact CD2-CD1 3.97Å; F590-I793 HydrophobicContact CD2-CG2 4.1Å; F590-I793 HydrophobicContact CE1-CG2 4.36Å; F590-I793 HydrophobicContact CE2-CG2 4.34Å; F590-I793 HydrophobicContact CG-CD1 4.01Å; F590-I793 HydrophobicContact CG-CG1 4.27Å; F590-I793 HydrophobicContact CG-CG2 3.98Å; F590-I793 HydrophobicContact CZ-CG2 4.47Å; F590-L797 HydrophobicContact CE1-CD1 4.15Å; F590-L797 HydrophobicContact CE1-CD2 4.05Å; F590-L797 HydrophobicContact CZ-CD1 4.23Å; F590-Y809 HydrophobicContact CZ-CE1 4.45Å; F590-L811 HydrophobicContact CE2-CD2 4.28Å; F590-F817 AromaticContact CD2-CE2 3.93Å; F590-F817 HydrophobicContact CD2-CE2 3.93Å; F590-F817 HydrophobicContact CD2-CZ 4.41Å; F590-F817 HydrophobicContact CE2-CE2 4.28Å
591	D	93.5	Very high	85.2	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-42.3	179.4	-70.1	-17.1	0	0	0	111.5	Y542 L587 L589 N595 Y776 R800	Y542-D591 VanDerWaalsContact CE1-OD2 3.26Å; Y542-D591 WeakPolarHBondContact CE1-OD2 3.3Å; Y542-D591 WeakPolarHBondContact OH-CB 3.32Å; Y542-D591 PolarHBondContact OH-OD2 2.96Å; L587-D591 PolarHBondContact O-N 3.18Å; L589-D591 PolarHBondContact O-N 2.82Å; D591-N595 PolarHBondContact O-N 2.85Å; D591-N595 PolarHBondContact O-ND2 2.82Å; D591-Y776 HydrophobicContact CB-CD1 4.47Å; D591-Y776 HydrophobicContact CB-CE1 3.56Å; D591-R800 VanDerWaalsContact CG-NH1 3.32Å; D591-R800 IonicContact OD1-CZ 3.47Å; D591-R800 IonicContact OD1-NH1 2.7Å; D591-R800 PolarHBondContact OD1-NH1 3.41Å; D591-R800 IonicContact OD1-NH2 2.87Å; D591-R800 IonicContact OD2-CZ 2.97Å; D591-R800 IonicContact OD2-NH1 3.2Å; D591-R800 PolarHBondContact OD2-NH1 3.49Å; D591-R800 VanDerWaalsContact OD2-NH1 3.15Å; D591-R800 IonicContact OD2-NH2 3.38Å; D591-R800 PolarHBondContact OD2-NH2 3.29Å
592	I	94.6	Very high	82.5	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-50	173.9	-72.3	169.6	0	0	0	110.7	V552 V555 I588 L589 N595 Q596 Y776 L779	V552-I592 HydrophobicContact CG1-CG1 4.1Å; V555-I592 HydrophobicContact CB-CD1 4.27Å; V555-I592 HydrophobicContact CG1-CD1 3.91Å; I588-I592 HydrophobicContact CG2-CD1 3.86Å; I588-I592 WeakPolarHBondContact O-CB 3.17Å; I588-I592 VanDerWaalsContact O-CG1 3.26Å; I588-I592 WeakPolarHBondContact O-CG1 3.34Å; I588-I592 PolarHBondContact O-N 3.18Å; L589-I592 PolarHBondContact O-N 3.39Å; I592-N595 PolarHBondContact O-N 3.42Å; I592-Q596 WeakPolarHBondContact O-CG 3.26Å; I592-Q596 PolarHBondContact O-N 3.46Å; I592-Q596 PolarHBondContact O-NE2 2.7Å; I592-Y776 HydrophobicContact CG1-CD1 4.18Å; I592-L779 HydrophobicContact CG2-CD1 4.42Å; I592-L779 HydrophobicContact CG2-CD2 4.18Å; I592-L779 HydrophobicContact CG2-CG 4.19Å
593	L	94.8	Very high	79.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-39.9	-177.8	-68.2	178.8	0	0	0	112.3	V579 L589 F590 N595 Q596 L779 P783 F786 L811 P812 C814	V579-L593 HydrophobicContact CG2-CD1 3.94Å; L589-L593 WeakPolarHBondContact O-CB 3.29Å; L589-L593 WeakPolarHBondContact O-CG 3.22Å; L589-L593 PolarHBondContact O-N 3.15Å; F590-L593 PolarHBondContact O-N 3.31Å; L593-N595 PolarHBondContact O-N 3.13Å; L593-Q596 WeakPolarHBondContact O-CG 3.29Å; L593-Q596 PolarHBondContact O-N 2.72Å; L593-L779 HydrophobicContact CD2-CD1 3.9Å; L593-P783 HydrophobicContact CD2-CG 3.86Å; L593-F786 HydrophobicContact CD1-CB 3.81Å; L593-F786 HydrophobicContact CD1-CD1 3.56Å; L593-F786 HydrophobicContact CD1-CE1 4.32Å; L593-F786 HydrophobicContact CD1-CG 3.75Å; L593-L811 HydrophobicContact CB-CD1 4.23Å; L593-L811 HydrophobicContact CB-CD2 4.04Å; L593-L811 HydrophobicContact CD1-CD1 4.12Å; L593-P812 WeakPolarHBondContact O-CD 3.42Å; L593-C814 HydrophobicContact CD1-CB 4.43Å
594	S	92.3	Very high	76.6	Confident	28 Å²	28	51.4 Å²	51.4	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-26.3	178.2	-62.6	0	0	0	0	113.2	F590 Y809	F590-S594 WeakPolarHBondContact CE1-OG 3.38Å; F590-S594 VanDerWaalsContact O-CB 3.24Å; F590-S594 WeakPolarHBondContact O-CB 3.35Å; F590-S594 PolarHBondContact O-N 3.4Å; F590-S594 PolarHBondContact O-OG 3.01Å; S594-Y809 PolarHBondContact OG-OH 3.46Å
595	N	91.3	Very high	73.8	Confident	74 Å²	74	58.2 Å²	58.2	40%	0.396	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	10.3	-177.8	-71.9	-86.5	0	0	0	113.7	D591 I592 L593 Y776	D591-N595 PolarHBondContact O-N 2.85Å; D591-N595 PolarHBondContact O-ND2 2.82Å; I592-N595 PolarHBondContact O-N 3.42Å; L593-N595 PolarHBondContact O-N 3.13Å; N595-Y776 HydrophobicContact CB-CD1 4.41Å; N595-Y776 HydrophobicContact CB-CD2 3.57Å; N595-Y776 HydrophobicContact CB-CE2 4.36Å; N595-Y776 HydrophobicContact CB-CG 3.6Å; N595-Y776 WeakPolarHBondContact ND2-CD2 3.32Å; N595-Y776 WeakPolarHBondContact ND2-CE2 3.39Å
596	Q	89.8	Confident	70.8	Confident	14 Å²	14	60.8 Å²	60.8	7%	0.065	34%	0.344	C	S	.	.			trans	-69	152.2	174	-62.9	-56.1	-55.2	0	0	112	I592 L593 N777 P812 T813	I592-Q596 WeakPolarHBondContact O-CG 3.26Å; I592-Q596 PolarHBondContact O-N 3.46Å; I592-Q596 PolarHBondContact O-NE2 2.7Å; L593-Q596 WeakPolarHBondContact O-CG 3.29Å; L593-Q596 PolarHBondContact O-N 2.72Å; Q596-N777 PolarHBondContact NE2-O 2.79Å; Q596-P812 HydrophobicContact CB-CB 4.37Å; Q596-P812 WeakPolarHBondContact O-CB 3.37Å; Q596-P812 WeakPolarHBondContact O-CG 3.27Å; Q596-T813 HydrophobicContact CB-CG2 3.82Å
597	K	82.3	Confident	67.7	Low	148 Å²	148	67.2 Å²	67.2	64%	0.643	39%	0.386	S	S	*	.			trans	-105.2	126.2	177.8	-65.9	163.4	-172.2	156	0	108.3	L599	K597-L599 PolarHBondContact O-N 2.78Å
598	D	65.5	Low	64.7	Low	58 Å²	58	75.1 Å²	75.1	31%	0.31	43%	0.427	S	S	.	.			trans	-60	112.7	171.8	175.8	11.5	0	0	0	109.8	N600 L601	D598-N600 PolarHBondContact O-N 2.7Å; D598-N600 WeakPolarHBondContact OD1-CB 3.48Å; D598-N600 PolarHBondContact OD1-N 2.87Å; D598-N600 PolarHBondContact OD1-ND2 3.35Å; D598-L601 HydrophobicContact CB-CB 4.44Å; D598-L601 PolarHBondContact O-N 2.92Å; D598-L601 WeakPolarHBondContact OD2-CD1 3.35Å
599	L	56.7	Low	61.5	Low	106 Å²	106	80.1 Å²	80.1	56%	0.555	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-60.7	-26.8	-179.5	-64.7	173.2	0	0	0	111.6	K597 S602	K597-L599 PolarHBondContact O-N 2.78Å; L599-S602 WeakPolarHBondContact O-CB 3.3Å; L599-S602 PolarHBondContact O-OG 3.13Å
600	N	47.8	Very low	58.5	Low	118 Å²	118	85 Å²	85	63%	0.631	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-74.6	-27.5	-178.4	-55.8	-82.3	0	0	0	112.6	D598 S602	D598-N600 PolarHBondContact O-N 2.7Å; D598-N600 WeakPolarHBondContact OD1-CB 3.48Å; D598-N600 PolarHBondContact OD1-N 2.87Å; D598-N600 PolarHBondContact OD1-ND2 3.35Å; N600-S602 VanDerWaalsContact C-N 3.28Å; N600-S602 PolarHBondContact O-N 3.34Å
601	L	48.7	Very low	55.4	Low	130 Å²	130	89.3 Å²	89.3	68%	0.681	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-74.3	-15.9	177.9	-115	75.3	0	0	0	113.8	D598 K603 C604	D598-L601 HydrophobicContact CB-CB 4.44Å; D598-L601 PolarHBondContact O-N 2.92Å; D598-L601 WeakPolarHBondContact OD2-CD1 3.35Å; L601-K603 PolarHBondContact O-N 3.44Å; L601-C604 PolarHBondContact O-N 3.42Å
602	S	37.6	Very low	52.5	Low	95 Å²	95	94.7 Å²	94.7	66%	0.664	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-60.5	-6.5	-172.3	64.8	0	0	0	0	116.6	L599 N600	L599-S602 WeakPolarHBondContact O-CB 3.3Å; L599-S602 PolarHBondContact O-OG 3.13Å; N600-S602 VanDerWaalsContact C-N 3.28Å; N600-S602 PolarHBondContact O-N 3.34Å
603	K	33.1	Very low	49.4	Very low	189 Å²	189	98 Å²	98	82%	0.822	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-99.2	4.6	-177.4	-76.1	175.3	-179.9	162.8	0	115.5	L601	L601-K603 PolarHBondContact O-N 3.44Å
604	C	26	Very low	46.1	Very low	104 Å²	104	105.1 Å²	105.1	70%	0.703	64%	0.642	S	S	*	*	S	Bend	trans	-129.4	124.6	172.7	-80.7	0	0	0	0	111.5	L601 G606	L601-C604 PolarHBondContact O-N 3.42Å; C604-G606 PolarHBondContact O-N 3.14Å
605	P	30.3	Very low	42.9	Very low	143 Å²	143	109.9 Å²	109.9	93%	0.929	67%	0.669	S	S	*	*			trans	-77	74.3	173.6	32.5	-34.3	0	0	0	110.8
606	G	29.7	Very low	39.8	Very low	54 Å²	54	116 Å²	116	56%	0.557	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-96.5	157.3	166.6	0	0	0	0	0	111.6	C604	C604-G606 PolarHBondContact O-N 3.14Å
607	P	30.2	Very low	36.7	Very low	136 Å²	136	124.3 Å²	124.3	88%	0.883	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-60.7	142.7	174.8	-22.7	34.5	0	0	0	112.4	A609	P607-A609 PolarHBondContact O-N 2.82Å
608	L	29.8	Very low	33.9	Very low	165 Å²	165	125.6 Å²	125.6	86%	0.864	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-64	118.3	179.6	-70.5	161.9	0	0	0	111.3	V610	L608-V610 PolarHBondContact O-N 3.08Å; L608-V610 VanDerWaalsContact O-N 3.13Å
609	A	27.3	Very low	31.8	Very low	106 Å²	106	130.1 Å²	130.1	88%	0.876	76%	0.763	S	S	*	*			trans	-78.5	87.5	165.3	0	0	0	0	0	109.2	P607	P607-A609 PolarHBondContact O-N 2.82Å
610	V	31.3	Very low	30.1	Very low	101 Å²	101	134.8 Å²	134.8	61%	0.612	78%	0.779	S	S	*	*			trans	-68.7	136.7	166.2	179.7	0	0	0	0	108.3	L608 N612	L608-V610 PolarHBondContact O-N 3.08Å; L608-V610 VanDerWaalsContact O-N 3.13Å; V610-N612 HydrophobicContact CG1-CB 4.33Å; V610-N612 PolarHBondContact O-N 3.47Å
611	A	31.6	Very low	28.9	Very low	99 Å²	99	136.7 Å²	136.7	82%	0.818	78%	0.784	S	S	*	*			trans	-75.7	52	177.3	0	0	0	0	0	112.9
612	N	32.3	Very low	27.7	Very low	120 Å²	120	139.2 Å²	139.2	64%	0.642	79%	0.792	S	S	*	*			trans	-100.2	139.6	169.8	-75.5	3.3	0	0	0	109.5	V610	V610-N612 HydrophobicContact CG1-CB 4.33Å; V610-N612 PolarHBondContact O-N 3.47Å
613	G	29.9	Very low	26.9	Very low	69 Å²	69	144.1 Å²	144.1	71%	0.711	80%	0.802	S	S	*	*			trans	-59.5	149	-174.3	0	0	0	0	0	114.3	V615	G613-V615 PolarHBondContact O-N 3Å
614	V	23.8	Very low	26.5	Very low	151 Å²	151	143.7 Å²	143.7	92%	0.915	80%	0.803	S	S	*	*			trans	-72.5	87.3	-177.8	-177.3	0	0	0	0	111.2
615	V	26.5	Very low	26.4	Very low	128 Å²	128	146.3 Å²	146.3	78%	0.776	81%	0.809	S	S	*	*			trans	-92.3	131.5	165.9	-178.3	0	0	0	0	109.4	G613 Q617	G613-V615 PolarHBondContact O-N 3Å; V615-Q617 PolarHBondContact O-N 3.31Å
616	K	25.8	Very low	26.3	Very low	201 Å²	201	145.1 Å²	145.1	87%	0.874	80%	0.801	S	S	*	*			trans	-69.4	97	178.8	-76.8	179.4	177.8	171.5	0	111.3	L618	K616-L618 PolarHBondContact O-N 3.25Å; K616-L618 VanDerWaalsContact O-N 3.14Å
617	Q	24.1	Very low	26	Very low	189 Å²	189	151.4 Å²	151.4	88%	0.883	82%	0.816	S	S	*	*			trans	-75.1	100.8	175.7	-162.4	174.6	41.9	0	0	111.3	V615	V615-Q617 PolarHBondContact O-N 3.31Å
618	L	23.4	Very low	25.9	Very low	175 Å²	175	151.7 Å²	151.7	92%	0.916	81%	0.806	S	S	*	*			trans	-76.6	123.7	164.1	-100.5	167.1	0	0	0	109.1	K616	K616-L618 PolarHBondContact O-N 3.25Å; K616-L618 VanDerWaalsContact O-N 3.14Å
619	H	21.1	Very low	25.7	Very low	153 Å²	153	149.9 Å²	149.9	71%	0.708	80%	0.804	S	S	*	*			trans	-88.2	123.9	-168.6	-170.4	19.4	0	0	0	112
620	F	22.8	Very low	25.5	Very low	204 Å²	204	151.7 Å²	151.7	90%	0.895	79%	0.792	S	S	*	*			trans	-144.4	153.7	162.8	-126.3	-88.2	0	0	0	111.3
621	Q	21.6	Very low	25.1	Very low	159 Å²	159	154.4 Å²	154.4	74%	0.743	80%	0.802	S	S	*	*			trans	-105.3	126.7	-176.6	-72	-179.1	-49.6	0	0	112.9
622	E	23.1	Very low	24.6	Very low	182 Å²	182	155.1 Å²	155.1	85%	0.85	80%	0.797	S	S	*	*			trans	40.7	103.5	136.4	-165.9	178.8	-170.8	0	0	120.2
623	K	21.1	Very low	24.1	Very low	199 Å²	199	157.2 Å²	157.2	87%	0.865	80%	0.804	S	S	*	*				-160.8	174.9	126.2	-119.1	173.5	-179.1	175.8	0	113.6
624	Q	24	Very low	23.8	Very low	179 Å²	179	159.7 Å²	159.7	84%	0.836	80%	0.801	S	S	*	*			trans	-95.3	166.2	-155.1	-61.6	168.7	-68.9	0	0	116.3
625	L	23.6	Very low	23.8	Very low	159 Å²	159	160.6 Å²	160.6	83%	0.832	80%	0.796	S	S	*	*			trans	-37.4	168.5	168.8	-86.3	91.8	0	0	0	117.7
626	P	29.9	Very low	23.7	Very low	119 Å²	119	160.2 Å²	160.2	77%	0.773	80%	0.799	S	S	*	*			cis	-142.9	-152.2	30.2	44.2	-22.5	0	0	0	117.8
627	E	23.3	Very low	23.4	Very low	186 Å²	186	155.8 Å²	155.8	87%	0.869	79%	0.792	S	S	*	*			trans	-71.7	-173.6	-160.4	-60.6	169	102.8	0	0	119.8
628	E	28.5	Very low	23.3	Very low	141 Å²	141	154 Å²	154	66%	0.659	79%	0.788	S	S	*	*			trans	-62.1	167.8	-178.4	-46.4	-173.5	137.6	0	0	116.3	K630	E628-K630 VanDerWaalsContact OE1-CE 3.31Å; E628-K630 WeakPolarHBondContact OE1-CE 3.43Å; E628-K630 IonicContact OE1-NZ 2.62Å; E628-K630 PolarHBondContact OE1-NZ 2.93Å; E628-K630 VanDerWaalsContact OE2-CE 3.32Å; E628-K630 WeakPolarHBondContact OE2-CE 3.42Å; E628-K630 IonicContact OE2-NZ 3.37Å; E628-K630 PolarHBondContact OE2-NZ 3.18Å
629	P	25.3	Very low	23.4	Very low	127 Å²	127	153.4 Å²	153.4	83%	0.825	79%	0.785	S	S	*	*				-146.5	-179.3	108.2	39.7	-24.9	0	0	0	115.8
630	K	22.1	Very low	23.8	Very low	144 Å²	144	153 Å²	153	63%	0.626	79%	0.788	S	S	*	*			trans	-141.6	167.8	-173.2	-68.2	153.5	-179	157.6	0	110.7	E628	E628-K630 VanDerWaalsContact OE1-CE 3.31Å; E628-K630 WeakPolarHBondContact OE1-CE 3.43Å; E628-K630 IonicContact OE1-NZ 2.62Å; E628-K630 PolarHBondContact OE1-NZ 2.93Å; E628-K630 VanDerWaalsContact OE2-CE 3.32Å; E628-K630 WeakPolarHBondContact OE2-CE 3.42Å; E628-K630 IonicContact OE2-NZ 3.37Å; E628-K630 PolarHBondContact OE2-NZ 3.18Å
631	L	22.8	Very low	24.2	Very low	159 Å²	159	150.2 Å²	150.2	83%	0.832	79%	0.788	S	S	*	*			cis	-106.6	-112.3	-2.4	-59.9	69.3	0	0	0	110.1
632	T	21.4	Very low	24.5	Very low	114 Å²	114	151.5 Å²	151.5	70%	0.699	79%	0.794	S	S	*	*			cis	-157.1	131.2	1.6	44.4	0	0	0	0	110.3
633	M	22.8	Very low	24.8	Very low	163 Å²	163	149.8 Å²	149.8	80%	0.803	79%	0.791	S	S	*	*			trans	53.1	146.2	154.4	-66.8	169.7	75.3	0	0	119.8
634	D	22.3	Very low	25.5	Very low	121 Å²	121	147.7 Å²	147.7	65%	0.647	78%	0.784	S	S	*	*			cis	-155.1	171.8	10.3	-135	-14.8	0	0	0	114.4
635	E	25	Very low	26.4	Very low	170 Å²	170	146.5 Å²	146.5	79%	0.794	78%	0.778	S	S	*	*			trans	39.5	113.1	160.2	-62.4	-169.2	115.1	0	0	121.4
636	S	23	Very low	27.5	Very low	121 Å²	121	145.7 Å²	145.7	85%	0.846	78%	0.78	S	S	*	*				-178.1	154.4	96.9	34.4	0	0	0	0	114.6
637	C	21.1	Very low	29.3	Very low	107 Å²	107	143.3 Å²	143.3	72%	0.723	76%	0.76	S	S	*	*			trans	-53.5	166.1	177.5	37.8	0	0	0	0	116.8
638	D	22.3	Very low	32	Very low	151 Å²	151	137.9 Å²	137.9	81%	0.807	74%	0.739	S	S	*	*			cis	-161.5	163.8	-7	-104.7	-33.7	0	0	0	108.2
639	L	25.5	Very low	34.6	Very low	163 Å²	163	132.2 Å²	132.2	85%	0.853	71%	0.714	S	S	*	*			trans	178.3	128.9	137.8	-100.3	169.9	0	0	0	112.5
640	D	27.7	Very low	37.3	Very low	145 Å²	145	131.4 Å²	131.4	78%	0.775	70%	0.699	S	S	*	*			trans	-57.7	139.4	-167.3	-48.3	-83.7	0	0	0	117.5
641	V	31.9	Very low	40.2	Very low	145 Å²	145	128.9 Å²	128.9	88%	0.879	69%	0.689	S	S	*	*			trans	-137.3	131.2	149	-178.8	0	0	0	0	107.9
642	E	28	Very low	43.1	Very low	187 Å²	187	121.4 Å²	121.4	87%	0.874	65%	0.65	S	S	*	*			trans	-79.6	159.6	-166.9	-60.3	175.1	122.8	0	0	114.7
643	N	29.9	Very low	46.2	Very low	146 Å²	146	116 Å²	116	78%	0.781	62%	0.617	S	S	*	*			trans	-64.7	138.3	-178.2	-67.7	-14.5	0	0	0	114.1
644	E	35.6	Very low	49.1	Very low	155 Å²	155	113.8 Å²	113.8	72%	0.724	61%	0.605	S	S	*	*			trans	-117.9	129.2	133.4	-91	-136	169.2	0	0	108.1	K706	E644-K706 IonicContact OE1-NZ 3.77Å; E644-K706 PolarHBondContact OE1-NZ 3.28Å; E644-K706 IonicContact OE2-NZ 3.62Å; E644-K706 PolarHBondContact OE2-NZ 3.38Å
645	E	42.2	Very low	52	Low	154 Å²	154	111.9 Å²	111.9	72%	0.72	61%	0.606	S	S	*	*			trans	-78.3	126.7	-168.1	-64.2	171.6	148.5	0	0	112.4	L647	E645-L647 VanDerWaalsContact C-N 3.28Å; E645-L647 PolarHBondContact O-N 3.36Å
646	V	46.9	Very low	54.9	Low	142 Å²	142	105.4 Å²	105.4	86%	0.861	58%	0.576	S	S	*	*			trans	-80.4	77.9	173.3	-174.7	0	0	0	0	109.3	T648	V646-T648 PolarHBondContact O-N 3.22Å
647	L	67.2	Low	57.9	Low	69 Å²	69	103.9 Å²	103.9	36%	0.361	57%	0.566	S	S	.	*			trans	-53.7	124.8	175.4	-67.2	171.5	0	0	0	111.3	E645 E651	E645-L647 VanDerWaalsContact C-N 3.28Å; E645-L647 PolarHBondContact O-N 3.36Å; L647-E651 HydrophobicContact CD2-CB 4.15Å
648	T	80.2	Confident	61.1	Low	71 Å²	71	99 Å²	99	44%	0.436	53%	0.532	S	S	.	.			trans	-73.1	173.3	176.4	65.8	0	0	0	0	112.1	V646 Q650 E651 T652	V646-T648 PolarHBondContact O-N 3.22Å; T648-Q650 VanDerWaalsContact C-N 3.3Å; T648-Q650 PolarHBondContact O-N 2.63Å; T648-E651 VanDerWaalsContact CB-OE2 3.26Å; T648-E651 WeakPolarHBondContact CB-OE2 3.36Å; T648-E651 WeakPolarHBondContact CG2-OE2 3.3Å; T648-E651 PolarHBondContact N-OE2 3.15Å; T648-E651 VanDerWaalsContact OG1-CD 3.28Å; T648-E651 WeakPolarHBondContact OG1-CG 3.38Å; T648-E651 PolarHBondContact OG1-N 3.38Å; T648-E651 PolarHBondContact OG1-OE2 3.33Å; T648-T652 VanDerWaalsContact O-CB 3.22Å; T648-T652 WeakPolarHBondContact O-CB 3.41Å; T648-T652 PolarHBondContact O-N 3.08Å; T648-T652 PolarHBondContact O-OG1 3.47Å
649	L	83.3	Confident	64.2	Low	23 Å²	23	94.9 Å²	94.9	12%	0.12	52%	0.516	C	S	.	.	H	α-helix	trans	-60.1	-39.8	175.3	-177.8	63.6	0	0	0	112.5	T652 L653 F662 F665 I670 M672 L675	L649-T652 PolarHBondContact O-N 3.2Å; L649-L653 HydrophobicContact CD1-CD1 4.04Å; L649-L653 HydrophobicContact CD1-CG 4.35Å; L649-L653 HydrophobicContact CG-CD1 4.12Å; L649-L653 WeakPolarHBondContact O-CB 3.43Å; L649-L653 WeakPolarHBondContact O-CG 3.46Å; L649-L653 PolarHBondContact O-N 3.24Å; L649-F662 HydrophobicContact CB-CE2 4.5Å; L649-F662 HydrophobicContact CD2-CE2 4.31Å; L649-F662 HydrophobicContact CG-CE2 4.28Å; L649-F665 HydrophobicContact CD2-CB 4.16Å; L649-I670 WeakPolarHBondContact CD2-O 3.38Å; L649-M672 VanDerWaalsContact CA-SD 3.52Å; L649-M672 HydrophobicContact CB-CG 3.95Å; L649-M672 HydrophobicContact CB-SD 4.09Å; L649-M672 HydrophobicContact CD1-SD 3.94Å; L649-L675 HydrophobicContact CD1-CD2 3.67Å
650	Q	82.8	Confident	67	Low	109 Å²	109	93.5 Å²	93.5	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-66.8	-50.7	-178.2	-168.4	174.1	-29.4	0	0	110.7	T648 T652 L653 E654 F662	T648-Q650 VanDerWaalsContact C-N 3.3Å; T648-Q650 PolarHBondContact O-N 2.63Å; Q650-T652 VanDerWaalsContact C-N 3.31Å; Q650-T652 PolarHBondContact O-N 2.92Å; Q650-L653 PolarHBondContact O-N 3.11Å; Q650-E654 WeakPolarHBondContact O-CB 3.36Å; Q650-E654 PolarHBondContact O-N 3.36Å; Q650-F662 HydrophobicContact CB-CD2 4Å; Q650-F662 HydrophobicContact CB-CE2 3.57Å; Q650-F662 HydrophobicContact CB-CZ 4.24Å; Q650-F662 HydrophobicContact CG-CD2 4.11Å; Q650-F662 HydrophobicContact CG-CE2 4Å; Q650-F662 HydrophobicContact CG-CZ 4.45Å
651	E	82.2	Confident	69.9	Low	92 Å²	92	88.4 Å²	88.4	43%	0.43	48%	0.475	S	S	.	.	H	α-helix	trans	-63.6	-36.5	177.8	-64.4	157.4	140.1	0	0	111.7	L647 T648 E654 A655	L647-E651 HydrophobicContact CD2-CB 4.15Å; T648-E651 VanDerWaalsContact CB-OE2 3.26Å; T648-E651 WeakPolarHBondContact CB-OE2 3.36Å; T648-E651 WeakPolarHBondContact CG2-OE2 3.3Å; T648-E651 PolarHBondContact N-OE2 3.15Å; T648-E651 VanDerWaalsContact OG1-CD 3.28Å; T648-E651 WeakPolarHBondContact OG1-CG 3.38Å; T648-E651 PolarHBondContact OG1-N 3.38Å; T648-E651 PolarHBondContact OG1-OE2 3.33Å; E651-E654 PolarHBondContact O-N 3.07Å; E651-A655 VanDerWaalsContact O-CB 3.25Å; E651-A655 WeakPolarHBondContact O-CB 3.27Å; E651-A655 PolarHBondContact O-N 3.41Å
652	T	84.7	Confident	72.5	Confident	1 Å²	1	84 Å²	84	1%	0.006	44%	0.444	C	S	.	.	H	α-helix	trans	-64.1	-46.6	175.6	-65.1	0	0	0	0	111.8	T648 L649 Q650 A655 L656 M672 F699	T648-T652 VanDerWaalsContact O-CB 3.22Å; T648-T652 WeakPolarHBondContact O-CB 3.41Å; T648-T652 PolarHBondContact O-N 3.08Å; T648-T652 PolarHBondContact O-OG1 3.47Å; L649-T652 PolarHBondContact O-N 3.2Å; Q650-T652 VanDerWaalsContact C-N 3.31Å; Q650-T652 PolarHBondContact O-N 2.92Å; T652-A655 PolarHBondContact O-N 2.83Å; T652-L656 WeakPolarHBondContact O-CG 3.44Å; T652-L656 PolarHBondContact O-N 2.82Å; T652-L656 VanDerWaalsContact O-N 3.15Å; T652-M672 HydrophobicContact CG2-CE 4.17Å; T652-M672 HydrophobicContact CG2-SD 4.24Å; T652-M672 WeakPolarHBondContact OG1-CE 3.38Å; T652-F699 HydrophobicContact CG2-CD1 4.12Å; T652-F699 HydrophobicContact CG2-CE1 3.43Å; T652-F699 VanDerWaalsContact CG2-CE1 3.43Å; T652-F699 HydrophobicContact CG2-CE2 4.12Å; T652-F699 HydrophobicContact CG2-CZ 3.42Å; T652-F699 VanDerWaalsContact CG2-CZ 3.42Å
653	L	85.7	Confident	75.2	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-70.3	-33.5	177.6	-71.6	171.3	0	0	0	111.9	L649 Q650 L656 S657 L658 S659 F662 F665 I696	L649-L653 HydrophobicContact CD1-CD1 4.04Å; L649-L653 HydrophobicContact CD1-CG 4.35Å; L649-L653 HydrophobicContact CG-CD1 4.12Å; L649-L653 WeakPolarHBondContact O-CB 3.43Å; L649-L653 WeakPolarHBondContact O-CG 3.46Å; L649-L653 PolarHBondContact O-N 3.24Å; Q650-L653 PolarHBondContact O-N 3.11Å; L653-L656 PolarHBondContact O-N 3.49Å; L653-S657 PolarHBondContact O-N 3.3Å; L653-L658 HydrophobicContact CD2-CB 4.23Å; L653-L658 CarbonylContact O-C 3.6Å; L653-L658 WeakPolarHBondContact O-CA 3.15Å; L653-L658 PolarHBondContact O-N 2.79Å; L653-S659 PolarHBondContact O-N 2.8Å; L653-F662 HydrophobicContact CD1-CB 4.37Å; L653-F662 HydrophobicContact CD1-CD2 4.16Å; L653-F665 HydrophobicContact CD1-CD2 3.55Å; L653-F665 HydrophobicContact CD1-CE2 4.04Å; L653-F665 HydrophobicContact CD1-CG 4.25Å; L653-F665 HydrophobicContact CD2-CD2 4.29Å; L653-F665 HydrophobicContact CD2-CE2 3.92Å; L653-I696 HydrophobicContact CD2-CD1 4.16Å
654	E	84.9	Confident	77.9	Confident	118 Å²	118	73.4 Å²	73.4	55%	0.551	40%	0.4	S	S	*	.	H	α-helix	trans	-66.7	-44.1	173.6	-172.6	158	-153.9	0	0	112	Q650 E651 L656 S657	Q650-E654 WeakPolarHBondContact O-CB 3.36Å; Q650-E654 PolarHBondContact O-N 3.36Å; E651-E654 PolarHBondContact O-N 3.07Å; E654-L656 VanDerWaalsContact C-N 3.28Å; E654-L656 PolarHBondContact O-N 3.36Å; E654-S657 WeakPolarHBondContact O-CA 3.37Å; E654-S657 PolarHBondContact O-N 3.28Å
655	A	81.1	Confident	80.4	Confident	81 Å²	81	66 Å²	66	67%	0.669	37%	0.366	S	S	*	.	H	α-helix	trans	-61.5	-32.4	175	0	0	0	0	0	113.2	E651 T652 S657	E651-A655 VanDerWaalsContact O-CB 3.25Å; E651-A655 WeakPolarHBondContact O-CB 3.27Å; E651-A655 PolarHBondContact O-N 3.41Å; T652-A655 PolarHBondContact O-N 2.83Å; A655-S657 PolarHBondContact O-N 3.25Å
656	L	86.4	Confident	82.5	Confident	33 Å²	33	64.7 Å²	64.7	17%	0.173	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.3	172	-65.5	175.4	0	0	0	113.5	T652 L653 E654 L658 K695 I696 F699	T652-L656 WeakPolarHBondContact O-CG 3.44Å; T652-L656 PolarHBondContact O-N 2.82Å; T652-L656 VanDerWaalsContact O-N 3.15Å; L653-L656 PolarHBondContact O-N 3.49Å; E654-L656 VanDerWaalsContact C-N 3.28Å; E654-L656 PolarHBondContact O-N 3.36Å; L656-L658 HydrophobicContact CB-CB 4.37Å; L656-L658 HydrophobicContact CB-CD1 3.99Å; L656-L658 HydrophobicContact CB-CG 4.04Å; L656-K695 WeakPolarHBondContact O-CD 3.44Å; L656-K695 PolarHBondContact O-NZ 3.18Å; L656-I696 HydrophobicContact CD1-CG1 4.25Å; L656-F699 HydrophobicContact CD1-CB 4Å; L656-F699 HydrophobicContact CD1-CD1 4.48Å; L656-F699 HydrophobicContact CD1-CG 4.09Å; L656-F699 HydrophobicContact CD2-CB 4.04Å; L656-F699 HydrophobicContact CD2-CD2 4.22Å; L656-F699 HydrophobicContact CD2-CG 4.35Å
657	S	86	Confident	84.4	Confident	89 Å²	89	65.2 Å²	65.2	62%	0.622	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	49.9	-170.3	-37.8	0	0	0	0	112.3	L653 E654 A655	L653-S657 PolarHBondContact O-N 3.3Å; E654-S657 WeakPolarHBondContact O-CA 3.37Å; E654-S657 PolarHBondContact O-N 3.28Å; A655-S657 PolarHBondContact O-N 3.25Å
658	L	89.1	Confident	85.3	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	35%	0.353	C	S	.	.			trans	-134.4	18.5	-175.5	-66.3	-176.3	0	0	0	112.9	L653 L656 E660 Y661 P692 K695 I696	L653-L658 HydrophobicContact CD2-CB 4.23Å; L653-L658 CarbonylContact O-C 3.6Å; L653-L658 WeakPolarHBondContact O-CA 3.15Å; L653-L658 PolarHBondContact O-N 2.79Å; L656-L658 HydrophobicContact CB-CB 4.37Å; L656-L658 HydrophobicContact CB-CD1 3.99Å; L656-L658 HydrophobicContact CB-CG 4.04Å; L658-E660 PolarHBondContact O-N 3.27Å; L658-E660 VanDerWaalsContact O-N 3.08Å; L658-Y661 HydrophobicContact CB-CD2 4.15Å; L658-Y661 HydrophobicContact CD2-CD2 4.14Å; L658-Y661 HydrophobicContact CD2-CE2 3.98Å; L658-Y661 PolarHBondContact O-N 3.38Å; L658-P692 HydrophobicContact CD1-CB 4.1Å; L658-P692 HydrophobicContact CD2-CB 3.54Å; L658-P692 HydrophobicContact CD2-CG 3.65Å; L658-P692 HydrophobicContact CG-CB 4.49Å; L658-K695 HydrophobicContact CD1-CB 4.02Å; L658-K695 HydrophobicContact CD1-CD 4.07Å; L658-K695 HydrophobicContact CD2-CD 4.1Å; L658-K695 HydrophobicContact CG-CD 4.11Å; L658-I696 HydrophobicContact CD1-CD1 3.94Å; L658-I696 HydrophobicContact CD1-CG1 3.59Å
659	S	85.9	Confident	85.6	Confident	66 Å²	66	71.5 Å²	71.5	46%	0.462	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-57.7	-22.3	-179.6	47.1	0	0	0	0	113.9	L653 Y661 F662	L653-S659 PolarHBondContact O-N 2.8Å; S659-Y661 PolarHBondContact O-N 3.25Å; S659-F662 VanDerWaalsContact O-CB 3.29Å; S659-F662 WeakPolarHBondContact O-CB 3.37Å; S659-F662 PolarHBondContact O-N 3.27Å; S659-F662 VanDerWaalsContact O-N 3.1Å
660	E	86.3	Confident	85.7	Confident	133 Å²	133	72 Å²	72	62%	0.621	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-58.5	-26.7	172.1	67.8	-174.7	-165.7	0	0	113.9	L658	L658-E660 PolarHBondContact O-N 3.27Å; L658-E660 VanDerWaalsContact O-N 3.08Å
661	Y	88.4	Confident	85.8	Confident	38 Å²	38	70.9 Å²	70.9	15%	0.149	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-90.2	-3.3	177.7	-57.3	-78.1	0	0	0	113.8	L658 S659 S663 T664 F665 I688 P689 P692	L658-Y661 HydrophobicContact CB-CD2 4.15Å; L658-Y661 HydrophobicContact CD2-CD2 4.14Å; L658-Y661 HydrophobicContact CD2-CE2 3.98Å; L658-Y661 PolarHBondContact O-N 3.38Å; S659-Y661 PolarHBondContact O-N 3.25Å; Y661-S663 VanDerWaalsContact C-N 3.27Å; Y661-S663 PolarHBondContact O-N 3.32Å; Y661-T664 WeakPolarHBondContact O-CA 3.3Å; Y661-T664 VanDerWaalsContact O-CB 3.25Å; Y661-T664 WeakPolarHBondContact O-CB 3.32Å; Y661-T664 PolarHBondContact O-N 2.83Å; Y661-F665 VanDerWaalsContact O-CD2 3.3Å; Y661-F665 WeakPolarHBondContact O-CD2 3.48Å; Y661-F665 PolarHBondContact O-N 2.94Å; Y661-I688 HydrophobicContact CD1-CG1 4.15Å; Y661-I688 HydrophobicContact CD1-CG2 4.17Å; Y661-I688 HydrophobicContact CE1-CG2 4.21Å; Y661-I688 HydrophobicContact CG-CG2 4.49Å; Y661-P689 HydrophobicContact CE1-CG 4.38Å; Y661-P689 WeakPolarHBondContact OH-CG 3.49Å; Y661-P692 HydrophobicContact CD2-CB 4.4Å; Y661-P692 HydrophobicContact CE2-CB 3.91Å; Y661-P692 HydrophobicContact CE2-CG 3.69Å
662	F	86.8	Confident	85.8	Confident	53 Å²	53	68.3 Å²	68.3	23%	0.232	36%	0.358	C	S	.	.	H	α-helix	trans	-54.1	-43.7	-176.4	179.7	-94.2	0	0	0	112.3	L649 Q650 L653 S659 T664 F665 E666	L649-F662 HydrophobicContact CB-CE2 4.5Å; L649-F662 HydrophobicContact CD2-CE2 4.31Å; L649-F662 HydrophobicContact CG-CE2 4.28Å; Q650-F662 HydrophobicContact CB-CD2 4Å; Q650-F662 HydrophobicContact CB-CE2 3.57Å; Q650-F662 HydrophobicContact CB-CZ 4.24Å; Q650-F662 HydrophobicContact CG-CD2 4.11Å; Q650-F662 HydrophobicContact CG-CE2 4Å; Q650-F662 HydrophobicContact CG-CZ 4.45Å; L653-F662 HydrophobicContact CD1-CB 4.37Å; L653-F662 HydrophobicContact CD1-CD2 4.16Å; S659-F662 VanDerWaalsContact O-CB 3.29Å; S659-F662 WeakPolarHBondContact O-CB 3.37Å; S659-F662 PolarHBondContact O-N 3.27Å; S659-F662 VanDerWaalsContact O-N 3.1Å; F662-T664 PolarHBondContact O-N 2.96Å; F662-F665 PolarHBondContact O-N 3.48Å; F662-E666 HydrophobicContact CE1-CB 4.47Å; F662-E666 WeakPolarHBondContact O-CB 3.36Å; F662-E666 PolarHBondContact O-N 3.41Å
663	S	82.7	Confident	85.6	Confident	72 Å²	72	75.7 Å²	75.7	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-64.3	-21	176.3	59.9	0	0	0	0	114.2	Y661 K667	Y661-S663 VanDerWaalsContact C-N 3.27Å; Y661-S663 PolarHBondContact O-N 3.32Å; S663-K667 WeakPolarHBondContact O-CB 3.39Å; S663-K667 PolarHBondContact O-N 3.19Å; S663-K667 VanDerWaalsContact O-N 3.14Å
664	T	87.4	Confident	85.4	Confident	38 Å²	38	78 Å²	78	23%	0.233	41%	0.409	C	S	.	.	H	α-helix	trans	-78.1	-44.6	174	-50.1	0	0	0	0	110.5	Y661 F662 K667 E668 M686	Y661-T664 WeakPolarHBondContact O-CA 3.3Å; Y661-T664 VanDerWaalsContact O-CB 3.25Å; Y661-T664 WeakPolarHBondContact O-CB 3.32Å; Y661-T664 PolarHBondContact O-N 2.83Å; F662-T664 PolarHBondContact O-N 2.96Å; T664-K667 PolarHBondContact O-N 3.3Å; T664-E668 PolarHBondContact O-N 2.91Å; T664-E668 VanDerWaalsContact O-N 3.14Å; T664-M686 HydrophobicContact CG2-CB 4.37Å; T664-M686 HydrophobicContact CG2-CE 4.11Å; T664-M686 WeakPolarHBondContact CG2-O 3.31Å
665	F	89.1	Confident	85.4	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-65.4	-41.2	174.4	-69.4	-78.9	0	0	0	112.3	L649 L653 Y661 F662 E668 K669 I670 L675 L683 M686 I688 I696	L649-F665 HydrophobicContact CD2-CB 4.16Å; L653-F665 HydrophobicContact CD1-CD2 3.55Å; L653-F665 HydrophobicContact CD1-CE2 4.04Å; L653-F665 HydrophobicContact CD1-CG 4.25Å; L653-F665 HydrophobicContact CD2-CD2 4.29Å; L653-F665 HydrophobicContact CD2-CE2 3.92Å; Y661-F665 VanDerWaalsContact O-CD2 3.3Å; Y661-F665 WeakPolarHBondContact O-CD2 3.48Å; Y661-F665 PolarHBondContact O-N 2.94Å; F662-F665 PolarHBondContact O-N 3.48Å; F665-E668 CarbonylContact O-C 3.55Å; F665-E668 PolarHBondContact O-N 3.18Å; F665-K669 PolarHBondContact O-N 3.43Å; F665-I670 HydrophobicContact CB-CB 4.33Å; F665-I670 HydrophobicContact CD1-CB 3.89Å; F665-I670 HydrophobicContact CD1-CG1 4.22Å; F665-I670 HydrophobicContact CD1-CG2 3.86Å; F665-I670 PolarHBondContact O-N 2.91Å; F665-L675 HydrophobicContact CD1-CD1 4.19Å; F665-L675 HydrophobicContact CE1-CD1 3.61Å; F665-L675 HydrophobicContact CZ-CD1 4.15Å; F665-L683 HydrophobicContact CE1-CD2 3.64Å; F665-L683 HydrophobicContact CZ-CD2 3.78Å; F665-M686 HydrophobicContact CD1-CE 3.53Å; F665-M686 HydrophobicContact CD1-SD 4.37Å; F665-M686 HydrophobicContact CE1-CE 3.74Å; F665-M686 HydrophobicContact CE1-SD 4.11Å; F665-M686 HydrophobicContact CG-CE 4.06Å; F665-M686 HydrophobicContact CZ-CE 4.42Å; F665-I688 HydrophobicContact CE1-CD1 4.18Å; F665-I688 HydrophobicContact CE2-CD1 3.71Å; F665-I688 HydrophobicContact CZ-CD1 3.37Å; F665-I696 HydrophobicContact CE2-CD1 4.03Å; F665-I696 HydrophobicContact CZ-CD1 3.62Å
666	E	85	Confident	85.4	Confident	127 Å²	127	70.6 Å²	70.6	59%	0.593	36%	0.362	S	S	*	.	H	α-helix	trans	-61.7	-44.1	174.9	-175.8	179.5	-152	0	0	112	F662 E668 K669	F662-E666 HydrophobicContact CE1-CB 4.47Å; F662-E666 WeakPolarHBondContact O-CB 3.36Å; F662-E666 PolarHBondContact O-N 3.41Å; E666-E668 PolarHBondContact O-N 2.91Å; E666-K669 PolarHBondContact O-N 2.79Å; E666-K669 VanDerWaalsContact O-N 3.09Å
667	K	87.3	Confident	85	Confident	152 Å²	152	76.3 Å²	76.3	66%	0.661	39%	0.389	S	S	*	.	H	α-helix	trans	-61.5	-42.4	177.9	176	177.5	168	-75.2	0	112.7	S663 T664 K669	S663-K667 WeakPolarHBondContact O-CB 3.39Å; S663-K667 PolarHBondContact O-N 3.19Å; S663-K667 VanDerWaalsContact O-N 3.14Å; T664-K667 PolarHBondContact O-N 3.3Å; K667-K669 VanDerWaalsContact C-N 3.26Å; K667-K669 PolarHBondContact O-N 3.36Å
668	E	86.7	Confident	84.7	Confident	91 Å²	91	73.3 Å²	73.3	43%	0.425	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	5.7	176.2	-53.8	-46.1	139.9	0	0	113.3	T664 F665 E666 I670 M686	T664-E668 PolarHBondContact O-N 2.91Å; T664-E668 VanDerWaalsContact O-N 3.14Å; F665-E668 CarbonylContact O-C 3.55Å; F665-E668 PolarHBondContact O-N 3.18Å; E666-E668 PolarHBondContact O-N 2.91Å; E668-I670 VanDerWaalsContact C-N 3.27Å; E668-I670 HydrophobicContact CB-CG1 4.19Å; E668-I670 PolarHBondContact O-N 2.84Å; E668-M686 HydrophobicContact CB-CE 4.14Å; E668-M686 HydrophobicContact CG-CE 4.06Å; E668-M686 HydrophobicContact CG-CG 4.4Å
669	K	85.7	Confident	84.4	Confident	181 Å²	181	76.8 Å²	76.8	79%	0.787	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	31.4	178.5	-55.4	-177	179.6	-179.8	0	115.2	F665 E666 K667 D671	F665-K669 PolarHBondContact O-N 3.43Å; E666-K669 PolarHBondContact O-N 2.79Å; E666-K669 VanDerWaalsContact O-N 3.09Å; K667-K669 VanDerWaalsContact C-N 3.26Å; K667-K669 PolarHBondContact O-N 3.36Å; K669-D671 PolarHBondContact O-N 3.44Å
670	I	85.7	Confident	84.2	Confident	35 Å²	35	76.5 Å²	76.5	18%	0.179	39%	0.385	C	S	.	.			trans	-76.5	120.4	175.1	-56.2	-57.9	0	0	0	108.9	L649 F665 E668 L675 M686	L649-I670 WeakPolarHBondContact CD2-O 3.38Å; F665-I670 HydrophobicContact CB-CB 4.33Å; F665-I670 HydrophobicContact CD1-CB 3.89Å; F665-I670 HydrophobicContact CD1-CG1 4.22Å; F665-I670 HydrophobicContact CD1-CG2 3.86Å; F665-I670 PolarHBondContact O-N 2.91Å; E668-I670 VanDerWaalsContact C-N 3.27Å; E668-I670 HydrophobicContact CB-CG1 4.19Å; E668-I670 PolarHBondContact O-N 2.84Å; I670-L675 HydrophobicContact CG2-CB 4.08Å; I670-M686 HydrophobicContact CG1-CE 4.09Å; I670-M686 HydrophobicContact CG1-SD 4.31Å
671	D	84.6	Confident	84.1	Confident	85 Å²	85	74.4 Å²	74.4	46%	0.455	38%	0.378	S	S	.	.			trans	-96.4	-174.3	171	66	17	0	0	0	112.3	K669 E673 S674 L675	K669-D671 PolarHBondContact O-N 3.44Å; D671-E673 VanDerWaalsContact C-N 3.31Å; D671-E673 PolarHBondContact O-N 3.04Å; D671-E673 PolarHBondContact OD1-N 2.9Å; D671-S674 WeakPolarHBondContact OD1-CB 3.31Å; D671-S674 PolarHBondContact OD1-N 2.8Å; D671-S674 PolarHBondContact OD1-OG 3.25Å; D671-L675 VanDerWaalsContact O-CB 3.3Å; D671-L675 WeakPolarHBondContact O-CB 3.5Å; D671-L675 PolarHBondContact O-N 3.01Å
672	M	83	Confident	84.1	Confident	37 Å²	37	76 Å²	76	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-69	-24.1	-177.6	-85.1	-60.8	-71.2	0	0	114.7	L649 T652 L675 L676	L649-M672 VanDerWaalsContact CA-SD 3.52Å; L649-M672 HydrophobicContact CB-CG 3.95Å; L649-M672 HydrophobicContact CB-SD 4.09Å; L649-M672 HydrophobicContact CD1-SD 3.94Å; T652-M672 HydrophobicContact CG2-CE 4.17Å; T652-M672 HydrophobicContact CG2-SD 4.24Å; T652-M672 WeakPolarHBondContact OG1-CE 3.38Å; M672-L675 HydrophobicContact SD-CD2 4.2Å; M672-L676 WeakPolarHBondContact O-CD1 3.47Å; M672-L676 WeakPolarHBondContact O-CG 3.36Å
673	E	79.7	Confident	84.1	Confident	157 Å²	157	73.6 Å²	73.6	73%	0.734	38%	0.378	S	S	*	.	H	α-helix	trans	-84.4	-42.1	177.4	-171.7	157.6	-161.3	0	0	109.9	D671 L675 L676 M677	D671-E673 VanDerWaalsContact C-N 3.31Å; D671-E673 PolarHBondContact O-N 3.04Å; D671-E673 PolarHBondContact OD1-N 2.9Å; E673-L675 VanDerWaalsContact C-N 3.34Å; E673-L675 PolarHBondContact O-N 3.01Å; E673-L676 PolarHBondContact O-N 2.77Å; E673-L676 VanDerWaalsContact O-N 3.14Å; E673-M677 PolarHBondContact O-N 2.98Å
674	S	82.1	Confident	84.2	Confident	47 Å²	47	75.6 Å²	75.6	33%	0.329	38%	0.378	S	S	.	.	H	α-helix	trans	-56.8	-44.8	170.1	-53.9	0	0	0	0	111.7	D671 L676 M677 C678	D671-S674 WeakPolarHBondContact OD1-CB 3.31Å; D671-S674 PolarHBondContact OD1-N 2.8Å; D671-S674 PolarHBondContact OD1-OG 3.25Å; S674-L676 VanDerWaalsContact C-N 3.26Å; S674-L676 PolarHBondContact O-N 2.86Å; S674-M677 CarbonylContact O-C 3.58Å; S674-M677 WeakPolarHBondContact O-CA 3.36Å; S674-M677 PolarHBondContact O-N 3.08Å; S674-C678 PolarHBondContact O-N 2.82Å; S674-C678 PolarHBondContact O-SG 2.87Å
675	L	83.9	Confident	84.2	Confident	1 Å²	1	82.3 Å²	82.3	1%	0.005	41%	0.407	C	S	.	.	H	α-helix	trans	-60.7	-33.8	177.6	-175.2	66.7	0	0	0	112.7	L649 F665 I670 D671 M672 E673 M677 C678 I696 V700	L649-L675 HydrophobicContact CD1-CD2 3.67Å; F665-L675 HydrophobicContact CD1-CD1 4.19Å; F665-L675 HydrophobicContact CE1-CD1 3.61Å; F665-L675 HydrophobicContact CZ-CD1 4.15Å; I670-L675 HydrophobicContact CG2-CB 4.08Å; D671-L675 VanDerWaalsContact O-CB 3.3Å; D671-L675 WeakPolarHBondContact O-CB 3.5Å; D671-L675 PolarHBondContact O-N 3.01Å; M672-L675 HydrophobicContact SD-CD2 4.2Å; E673-L675 VanDerWaalsContact C-N 3.34Å; E673-L675 PolarHBondContact O-N 3.01Å; L675-M677 PolarHBondContact O-N 3.36Å; L675-C678 PolarHBondContact O-N 3.43Å; L675-I696 HydrophobicContact CD1-CG2 3.82Å; L675-I696 HydrophobicContact CG-CG2 4.48Å; L675-V700 VanDerWaalsContact O-CG2 3.29Å; L675-V700 WeakPolarHBondContact O-CG2 3.38Å
676	L	81.6	Confident	84	Confident	44 Å²	44	83.9 Å²	83.9	23%	0.23	42%	0.415	C	S	.	.	H	α-helix	trans	-73.8	-11.3	175.9	-71.9	169.2	0	0	0	113.3	M672 E673 S674 V700 K703	M672-L676 WeakPolarHBondContact O-CD1 3.47Å; M672-L676 WeakPolarHBondContact O-CG 3.36Å; E673-L676 PolarHBondContact O-N 2.77Å; E673-L676 VanDerWaalsContact O-N 3.14Å; S674-L676 VanDerWaalsContact C-N 3.26Å; S674-L676 PolarHBondContact O-N 2.86Å; L676-V700 HydrophobicContact CD2-CB 4.48Å; L676-V700 HydrophobicContact CD2-CG1 4.3Å; L676-V700 HydrophobicContact CD2-CG2 4.35Å; L676-V700 VanDerWaalsContact O-CG1 3.31Å; L676-V700 WeakPolarHBondContact O-CG1 3.33Å; L676-K703 HydrophobicContact CD2-CB 3.82Å; L676-K703 HydrophobicContact CD2-CD 4.15Å
677	M	77.7	Confident	83.8	Confident	153 Å²	153	80.8 Å²	80.8	75%	0.754	42%	0.416	S	S	*	.	H	α-helix	trans	-105	-12.6	175.4	-62.2	-59.1	-62.2	0	0	113.4	E673 S674 L675	E673-M677 PolarHBondContact O-N 2.98Å; S674-M677 CarbonylContact O-C 3.58Å; S674-M677 WeakPolarHBondContact O-CA 3.36Å; S674-M677 PolarHBondContact O-N 3.08Å; L675-M677 PolarHBondContact O-N 3.36Å
678	C	80.3	Confident	83.9	Confident	26 Å²	26	73.7 Å²	73.7	18%	0.176	39%	0.386	C	S	.	.			trans	-64.7	133.7	179.2	-70.5	0	0	0	0	113.3	S674 L675 L683	S674-C678 PolarHBondContact O-N 2.82Å; S674-C678 PolarHBondContact O-SG 2.87Å; L675-C678 PolarHBondContact O-N 3.43Å; C678-L683 HydrophobicContact CB-CD2 4.24Å; C678-L683 HydrophobicContact CB-CG 4.4Å
679	T	82.8	Confident	83.8	Confident	76 Å²	76	72.4 Å²	72.4	47%	0.466	39%	0.385	S	S	.	.			trans	-87.7	170.3	171.9	75.2	0	0	0	0	112.5	D681 D682 L683	T679-D681 PolarHBondContact O-N 3.16Å; T679-D681 PolarHBondContact OG1-N 3.35Å; T679-D682 WeakPolarHBondContact CA-OD2 3.39Å; T679-D682 VanDerWaalsContact CB-OD2 3.24Å; T679-D682 WeakPolarHBondContact CB-OD2 3.35Å; T679-D682 WeakPolarHBondContact CG2-OD2 3.26Å; T679-D682 PolarHBondContact N-OD2 2.79Å; T679-D682 PolarHBondContact O-N 2.92Å; T679-D682 PolarHBondContact OG1-N 2.91Å; T679-D682 PolarHBondContact OG1-OD2 2.82Å; T679-L683 WeakPolarHBondContact O-CG 3.22Å; T679-L683 PolarHBondContact O-N 2.82Å
680	V	82.6	Confident	83.4	Confident	60 Å²	60	68.4 Å²	68.4	36%	0.364	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21	178	178.3	0	0	0	0	112.9	R693 A697	V680-R693 PolarHBondContact O-NH1 2.83Å; V680-A697 HydrophobicContact CG2-CB 3.8Å
681	D	83.6	Confident	83.3	Confident	89 Å²	89	69 Å²	69	48%	0.476	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-30	176.5	-76	-66.6	0	0	0	112.8	T679 L683 K684 E685	T679-D681 PolarHBondContact O-N 3.16Å; T679-D681 PolarHBondContact OG1-N 3.35Å; D681-L683 VanDerWaalsContact C-N 3.33Å; D681-L683 PolarHBondContact O-N 2.88Å; D681-K684 WeakPolarHBondContact O-CA 3.24Å; D681-K684 WeakPolarHBondContact O-CB 3.39Å; D681-K684 PolarHBondContact O-N 2.8Å; D681-K684 WeakPolarHBondContact OD1-CD 3.5Å; D681-K684 WeakPolarHBondContact OD1-CE 3.21Å; D681-K684 IonicContact OD1-NZ 2.72Å; D681-K684 PolarHBondContact OD1-NZ 3.13Å; D681-E685 PolarHBondContact O-N 2.82Å
682	D	87.4	Confident	83.5	Confident	73 Å²	73	66 Å²	66	39%	0.39	37%	0.372	S	S	.	.	H	α-helix	trans	-60.3	-47.2	170.5	-54.1	-52.5	0	0	0	110.3	T679 K684 E685 M686	T679-D682 WeakPolarHBondContact CA-OD2 3.39Å; T679-D682 VanDerWaalsContact CB-OD2 3.24Å; T679-D682 WeakPolarHBondContact CB-OD2 3.35Å; T679-D682 WeakPolarHBondContact CG2-OD2 3.26Å; T679-D682 PolarHBondContact N-OD2 2.79Å; T679-D682 PolarHBondContact O-N 2.92Å; T679-D682 PolarHBondContact OG1-N 2.91Å; T679-D682 PolarHBondContact OG1-OD2 2.82Å; D682-K684 PolarHBondContact O-N 3.39Å; D682-K684 VanDerWaalsContact O-N 3.14Å; D682-E685 PolarHBondContact O-N 2.79Å; D682-E685 VanDerWaalsContact O-N 3.15Å; D682-M686 WeakPolarHBondContact O-CG 3.34Å; D682-M686 PolarHBondContact O-N 2.81Å
683	L	87.3	Confident	83.8	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-61.3	-24.7	175.6	-59.7	174.1	0	0	0	112.7	F665 C678 T679 D681 M686 I688 R693 I696	F665-L683 HydrophobicContact CE1-CD2 3.64Å; F665-L683 HydrophobicContact CZ-CD2 3.78Å; C678-L683 HydrophobicContact CB-CD2 4.24Å; C678-L683 HydrophobicContact CB-CG 4.4Å; T679-L683 WeakPolarHBondContact O-CG 3.22Å; T679-L683 PolarHBondContact O-N 2.82Å; D681-L683 VanDerWaalsContact C-N 3.33Å; D681-L683 PolarHBondContact O-N 2.88Å; L683-M686 HydrophobicContact CD2-SD 4.22Å; L683-I688 HydrophobicContact CB-CD1 4.42Å; L683-I688 HydrophobicContact CD2-CD1 4.11Å; L683-I688 VanDerWaalsContact O-CB 3.24Å; L683-I688 WeakPolarHBondContact O-CB 3.49Å; L683-I688 PolarHBondContact O-N 2.97Å; L683-I688 VanDerWaalsContact O-N 3.1Å; L683-R693 VanDerWaalsContact C-CD 3.44Å; L683-R693 HydrophobicContact CB-CG 3.71Å; L683-R693 HydrophobicContact CD1-CG 4.41Å; L683-I696 HydrophobicContact CD1-CB 4.06Å; L683-I696 HydrophobicContact CD1-CG2 3.82Å
684	K	84.4	Confident	84.1	Confident	115 Å²	115	64.9 Å²	64.9	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-77.5	-38.5	179	-179.7	-168	174.8	-166.6	0	110.7	D681 D682 M686 G687	D681-K684 WeakPolarHBondContact O-CA 3.24Å; D681-K684 WeakPolarHBondContact O-CB 3.39Å; D681-K684 PolarHBondContact O-N 2.8Å; D681-K684 WeakPolarHBondContact OD1-CD 3.5Å; D681-K684 WeakPolarHBondContact OD1-CE 3.21Å; D681-K684 IonicContact OD1-NZ 2.72Å; D681-K684 PolarHBondContact OD1-NZ 3.13Å; D682-K684 PolarHBondContact O-N 3.39Å; D682-K684 VanDerWaalsContact O-N 3.14Å; K684-M686 VanDerWaalsContact C-N 3.34Å; K684-G687 WeakPolarHBondContact O-CA 3.45Å; K684-G687 PolarHBondContact O-N 2.75Å
685	E	87.6	Confident	84.3	Confident	179 Å²	179	67.1 Å²	67.1	84%	0.836	37%	0.367	S	S	*	.	H	α-helix	trans	-69.6	-33.8	174.7	-168.8	158.1	-164	0	0	111.2	D681 D682 G687	D681-E685 PolarHBondContact O-N 2.82Å; D682-E685 PolarHBondContact O-N 2.79Å; D682-E685 VanDerWaalsContact O-N 3.15Å; E685-G687 PolarHBondContact O-N 2.75Å
686	M	84.4	Confident	84.5	Confident	33 Å²	33	67.1 Å²	67.1	16%	0.163	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	1.7	164.3	-63	179	69.6	0	0	114.5	T664 F665 E668 I670 D682 L683 K684 I688	T664-M686 HydrophobicContact CG2-CB 4.37Å; T664-M686 HydrophobicContact CG2-CE 4.11Å; T664-M686 WeakPolarHBondContact CG2-O 3.31Å; F665-M686 HydrophobicContact CD1-CE 3.53Å; F665-M686 HydrophobicContact CD1-SD 4.37Å; F665-M686 HydrophobicContact CE1-CE 3.74Å; F665-M686 HydrophobicContact CE1-SD 4.11Å; F665-M686 HydrophobicContact CG-CE 4.06Å; F665-M686 HydrophobicContact CZ-CE 4.42Å; E668-M686 HydrophobicContact CB-CE 4.14Å; E668-M686 HydrophobicContact CG-CE 4.06Å; E668-M686 HydrophobicContact CG-CG 4.4Å; I670-M686 HydrophobicContact CG1-CE 4.09Å; I670-M686 HydrophobicContact CG1-SD 4.31Å; D682-M686 WeakPolarHBondContact O-CG 3.34Å; D682-M686 PolarHBondContact O-N 2.81Å; L683-M686 HydrophobicContact CD2-SD 4.22Å; K684-M686 VanDerWaalsContact C-N 3.34Å; M686-I688 VanDerWaalsContact C-N 3.32Å; M686-I688 HydrophobicContact CB-CD1 4.26Å; M686-I688 HydrophobicContact CB-CG1 4.17Å; M686-I688 PolarHBondContact O-N 2.85Å
687	G	81.8	Confident	84.6	Confident	61 Å²	61	66.5 Å²	66.5	63%	0.629	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	7.5	176.2	0	0	0	0	0	115.5	K684 E685	K684-G687 WeakPolarHBondContact O-CA 3.45Å; K684-G687 PolarHBondContact O-N 2.75Å; E685-G687 PolarHBondContact O-N 2.75Å
688	I	89.9	Confident	84.9	Confident	4 Å²	4	64.2 Å²	64.2	2%	0.021	36%	0.359	C	S	.	.			trans	-74.6	131.4	-174	-54.9	176.9	0	0	0	110.1	Y661 F665 L683 M686 P692 R693	Y661-I688 HydrophobicContact CD1-CG1 4.15Å; Y661-I688 HydrophobicContact CD1-CG2 4.17Å; Y661-I688 HydrophobicContact CE1-CG2 4.21Å; Y661-I688 HydrophobicContact CG-CG2 4.49Å; F665-I688 HydrophobicContact CE1-CD1 4.18Å; F665-I688 HydrophobicContact CE2-CD1 3.71Å; F665-I688 HydrophobicContact CZ-CD1 3.37Å; L683-I688 HydrophobicContact CB-CD1 4.42Å; L683-I688 HydrophobicContact CD2-CD1 4.11Å; L683-I688 VanDerWaalsContact O-CB 3.24Å; L683-I688 WeakPolarHBondContact O-CB 3.49Å; L683-I688 PolarHBondContact O-N 2.97Å; L683-I688 VanDerWaalsContact O-N 3.1Å; M686-I688 VanDerWaalsContact C-N 3.32Å; M686-I688 HydrophobicContact CB-CD1 4.26Å; M686-I688 HydrophobicContact CB-CG1 4.17Å; M686-I688 PolarHBondContact O-N 2.85Å; I688-P692 HydrophobicContact CG2-CB 3.64Å; I688-R693 HydrophobicContact CB-CG 3.85Å; I688-R693 HydrophobicContact CG2-CG 3.74Å; I688-R693 VanDerWaalsContact O-CD 3.27Å; I688-R693 WeakPolarHBondContact O-CD 3.32Å; I688-R693 PolarHBondContact O-NE 3.27Å
689	P	84.8	Confident	85.3	Confident	63 Å²	63	65 Å²	65	41%	0.409	36%	0.359	S	S	.	.			trans	-70.1	158.1	-178.5	24.9	-30.4	0	0	0	113	Y661 G691 P692 R693	Y661-P689 HydrophobicContact CE1-CG 4.38Å; Y661-P689 WeakPolarHBondContact OH-CG 3.49Å; P689-G691 VanDerWaalsContact C-N 3.27Å; P689-G691 PolarHBondContact O-N 3.05Å; P689-G691 VanDerWaalsContact O-N 3.12Å; P689-P692 HydrophobicContact CG-CG 4.03Å; P689-P692 WeakPolarHBondContact O-CD 3.45Å; P689-R693 WeakPolarHBondContact O-CG 3.49Å; P689-R693 PolarHBondContact O-N 3.28Å; P689-R693 VanDerWaalsContact O-N 3.11Å
690	L	76.8	Confident	85.4	Confident	97 Å²	97	62.2 Å²	62.2	51%	0.508	34%	0.342	S	S	.	.	H	α-helix	trans	-58.1	-31.8	-167.6	-174.5	64.2	0	0	0	114.6	K694	L690-K694 PolarHBondContact O-N 3.46Å; L690-K694 VanDerWaalsContact O-N 3.14Å
691	G	82.9	Confident	85.3	Confident	47 Å²	47	66 Å²	66	49%	0.485	36%	0.355	S	S	.	.	H	α-helix	trans	-64.6	-63.1	178	0	0	0	0	0	112.5	P689 R693 K694 K695	P689-G691 VanDerWaalsContact C-N 3.27Å; P689-G691 PolarHBondContact O-N 3.05Å; P689-G691 VanDerWaalsContact O-N 3.12Å; G691-R693 VanDerWaalsContact C-N 3.29Å; G691-R693 PolarHBondContact O-N 3.29Å; G691-K694 PolarHBondContact O-N 3.12Å; G691-K694 VanDerWaalsContact O-N 3.15Å; G691-K695 PolarHBondContact O-N 2.58Å
692	P	88.8	Confident	85.2	Confident	22 Å²	22	68.2 Å²	68.2	14%	0.143	36%	0.363	C	S	.	.	H	α-helix	trans	-48.7	-43.5	169.8	-34.9	40.4	0	0	0	114.5	L658 Y661 I688 P689 K694 K695 I696	L658-P692 HydrophobicContact CD1-CB 4.1Å; L658-P692 HydrophobicContact CD2-CB 3.54Å; L658-P692 HydrophobicContact CD2-CG 3.65Å; L658-P692 HydrophobicContact CG-CB 4.49Å; Y661-P692 HydrophobicContact CD2-CB 4.4Å; Y661-P692 HydrophobicContact CE2-CB 3.91Å; Y661-P692 HydrophobicContact CE2-CG 3.69Å; I688-P692 HydrophobicContact CG2-CB 3.64Å; P689-P692 HydrophobicContact CG-CG 4.03Å; P689-P692 WeakPolarHBondContact O-CD 3.45Å; P692-K694 VanDerWaalsContact C-N 3.35Å; P692-K694 PolarHBondContact O-N 3Å; P692-K695 WeakPolarHBondContact O-CB 3.33Å; P692-K695 PolarHBondContact O-N 2.92Å; P692-K695 VanDerWaalsContact O-N 3.13Å; P692-I696 PolarHBondContact O-N 3.03Å
693	R	89.6	Confident	84.8	Confident	29 Å²	29	67.9 Å²	67.9	11%	0.109	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-42.5	177.3	-70.2	-163.6	-79.3	128.5	-5.4	113.4	V680 L683 I688 P689 G691 I696 A697	V680-R693 PolarHBondContact O-NH1 2.83Å; L683-R693 VanDerWaalsContact C-CD 3.44Å; L683-R693 HydrophobicContact CB-CG 3.71Å; L683-R693 HydrophobicContact CD1-CG 4.41Å; I688-R693 HydrophobicContact CB-CG 3.85Å; I688-R693 HydrophobicContact CG2-CG 3.74Å; I688-R693 VanDerWaalsContact O-CD 3.27Å; I688-R693 WeakPolarHBondContact O-CD 3.32Å; I688-R693 PolarHBondContact O-NE 3.27Å; P689-R693 WeakPolarHBondContact O-CG 3.49Å; P689-R693 PolarHBondContact O-N 3.28Å; P689-R693 VanDerWaalsContact O-N 3.11Å; G691-R693 VanDerWaalsContact C-N 3.29Å; G691-R693 PolarHBondContact O-N 3.29Å; R693-I696 PolarHBondContact O-N 3.41Å; R693-A697 WeakPolarHBondContact O-CB 3.43Å; R693-A697 PolarHBondContact O-N 3.17Å
694	K	85.3	Confident	84.2	Confident	143 Å²	143	69.5 Å²	69.5	62%	0.622	37%	0.371	S	S	*	.	H	α-helix	trans	-67.2	-32.8	176.5	-76	-169.7	173.3	-167.3	0	113.2	L690 G691 P692 N698	L690-K694 PolarHBondContact O-N 3.46Å; L690-K694 VanDerWaalsContact O-N 3.14Å; G691-K694 PolarHBondContact O-N 3.12Å; G691-K694 VanDerWaalsContact O-N 3.15Å; P692-K694 VanDerWaalsContact C-N 3.35Å; P692-K694 PolarHBondContact O-N 3Å; K694-N698 WeakPolarHBondContact O-CB 3.4Å; K694-N698 PolarHBondContact O-N 3.17Å
695	K	86.6	Confident	83.9	Confident	94 Å²	94	66.7 Å²	66.7	41%	0.409	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-48.7	172.3	-76.2	-178.7	166.8	-170.6	0	111.5	L656 L658 G691 P692 N698 F699	L656-K695 WeakPolarHBondContact O-CD 3.44Å; L656-K695 PolarHBondContact O-NZ 3.18Å; L658-K695 HydrophobicContact CD1-CB 4.02Å; L658-K695 HydrophobicContact CD1-CD 4.07Å; L658-K695 HydrophobicContact CD2-CD 4.1Å; L658-K695 HydrophobicContact CG-CD 4.11Å; G691-K695 PolarHBondContact O-N 2.58Å; P692-K695 WeakPolarHBondContact O-CB 3.33Å; P692-K695 PolarHBondContact O-N 2.92Å; P692-K695 VanDerWaalsContact O-N 3.13Å; K695-N698 PolarHBondContact O-N 3.29Å; K695-F699 PolarHBondContact O-N 3.41Å; K695-F699 VanDerWaalsContact O-N 3.14Å
696	I	87.9	Confident	83.3	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-64.4	-47.9	-177.9	-64.4	176.9	0	0	0	110.6	L653 L656 L658 F665 L675 L683 P692 R693 N698 F699 V700	L653-I696 HydrophobicContact CD2-CD1 4.16Å; L656-I696 HydrophobicContact CD1-CG1 4.25Å; L658-I696 HydrophobicContact CD1-CD1 3.94Å; L658-I696 HydrophobicContact CD1-CG1 3.59Å; F665-I696 HydrophobicContact CE2-CD1 4.03Å; F665-I696 HydrophobicContact CZ-CD1 3.62Å; L675-I696 HydrophobicContact CD1-CG2 3.82Å; L675-I696 HydrophobicContact CG-CG2 4.48Å; L683-I696 HydrophobicContact CD1-CB 4.06Å; L683-I696 HydrophobicContact CD1-CG2 3.82Å; P692-I696 PolarHBondContact O-N 3.03Å; R693-I696 PolarHBondContact O-N 3.41Å; I696-N698 VanDerWaalsContact C-N 3.32Å; I696-N698 PolarHBondContact O-N 3Å; I696-F699 WeakPolarHBondContact O-CB 3.46Å; I696-F699 PolarHBondContact O-N 3.18Å; I696-F699 VanDerWaalsContact O-N 3.13Å; I696-V700 HydrophobicContact CG2-CG2 4.28Å; I696-V700 WeakPolarHBondContact O-CG2 3.42Å; I696-V700 PolarHBondContact O-N 2.87Å
697	A	84.9	Confident	82.5	Confident	31 Å²	31	67 Å²	67	26%	0.256	37%	0.372	S	S	.	.	H	α-helix	trans	-57.5	-42.8	179.1	0	0	0	0	0	112.8	V680 R693 V700 E701	V680-A697 HydrophobicContact CG2-CB 3.8Å; R693-A697 WeakPolarHBondContact O-CB 3.43Å; R693-A697 PolarHBondContact O-N 3.17Å; A697-V700 PolarHBondContact O-N 2.94Å; A697-E701 WeakPolarHBondContact O-CB 3.47Å; A697-E701 PolarHBondContact O-N 2.72Å
698	N	84.3	Confident	81.9	Confident	105 Å²	105	71.9 Å²	71.9	56%	0.561	38%	0.376	S	S	*	.	H	α-helix	trans	-65.8	-38	177.7	-169.6	-94.5	0	0	0	112.4	K694 K695 I696 H702	K694-N698 WeakPolarHBondContact O-CB 3.4Å; K694-N698 PolarHBondContact O-N 3.17Å; K695-N698 PolarHBondContact O-N 3.29Å; I696-N698 VanDerWaalsContact C-N 3.32Å; I696-N698 PolarHBondContact O-N 3Å; N698-H702 WeakPolarHBondContact O-CB 3.5Å; N698-H702 PolarHBondContact O-N 3.21Å
699	F	87.3	Confident	80.7	Confident	43 Å²	43	77.7 Å²	77.7	19%	0.189	40%	0.401	C	S	.	.	H	α-helix	trans	-64	-44.9	173.2	172.7	-92.4	0	0	0	112.3	T652 L656 K695 I696 H702 K703	T652-F699 HydrophobicContact CG2-CD1 4.12Å; T652-F699 HydrophobicContact CG2-CE1 3.43Å; T652-F699 VanDerWaalsContact CG2-CE1 3.43Å; T652-F699 HydrophobicContact CG2-CE2 4.12Å; T652-F699 HydrophobicContact CG2-CZ 3.42Å; T652-F699 VanDerWaalsContact CG2-CZ 3.42Å; L656-F699 HydrophobicContact CD1-CB 4Å; L656-F699 HydrophobicContact CD1-CD1 4.48Å; L656-F699 HydrophobicContact CD1-CG 4.09Å; L656-F699 HydrophobicContact CD2-CB 4.04Å; L656-F699 HydrophobicContact CD2-CD2 4.22Å; L656-F699 HydrophobicContact CD2-CG 4.35Å; K695-F699 PolarHBondContact O-N 3.41Å; K695-F699 VanDerWaalsContact O-N 3.14Å; I696-F699 WeakPolarHBondContact O-CB 3.46Å; I696-F699 PolarHBondContact O-N 3.18Å; I696-F699 VanDerWaalsContact O-N 3.13Å; F699-H702 PolarHBondContact O-N 3.17Å; F699-K703 HydrophobicContact CE1-CD 4.12Å; F699-K703 HydrophobicContact CZ-CD 3.88Å; F699-K703 HydrophobicContact CZ-CG 4.43Å; F699-K703 PolarHBondContact O-N 3.45Å
700	V	85.8	Confident	79.8	Confident	17 Å²	17	76.6 Å²	76.6	10%	0.103	40%	0.397	C	S	.	.	H	α-helix	trans	-61.1	-48.8	178	169.9	0	0	0	0	110.7	L675 L676 I696 A697 H702 K703 A704	L675-V700 VanDerWaalsContact O-CG2 3.29Å; L675-V700 WeakPolarHBondContact O-CG2 3.38Å; L676-V700 HydrophobicContact CD2-CB 4.48Å; L676-V700 HydrophobicContact CD2-CG1 4.3Å; L676-V700 HydrophobicContact CD2-CG2 4.35Å; L676-V700 VanDerWaalsContact O-CG1 3.31Å; L676-V700 WeakPolarHBondContact O-CG1 3.33Å; I696-V700 HydrophobicContact CG2-CG2 4.28Å; I696-V700 WeakPolarHBondContact O-CG2 3.42Å; I696-V700 PolarHBondContact O-N 2.87Å; A697-V700 PolarHBondContact O-N 2.94Å; V700-H702 VanDerWaalsContact C-N 3.34Å; V700-H702 PolarHBondContact O-N 3.34Å; V700-K703 PolarHBondContact O-N 3.27Å; V700-A704 VanDerWaalsContact O-CB 3.31Å; V700-A704 WeakPolarHBondContact O-CB 3.36Å; V700-A704 PolarHBondContact O-N 2.85Å
701	E	80.8	Confident	79.1	Confident	138 Å²	138	75 Å²	75	65%	0.645	40%	0.398	S	S	*	.	H	α-helix	trans	-56.2	-46.4	175.9	-174.8	176.9	-161.4	0	0	111.7	A697 A704 A705	A697-E701 WeakPolarHBondContact O-CB 3.47Å; A697-E701 PolarHBondContact O-N 2.72Å; E701-A704 PolarHBondContact O-N 3.01Å; E701-A705 WeakPolarHBondContact O-CB 3.42Å; E701-A705 PolarHBondContact O-N 3.23Å
702	H	80.5	Confident	77.8	Confident	137 Å²	137	76 Å²	76	63%	0.634	40%	0.397	S	S	*	.	H	α-helix	trans	-66.4	-41.1	178.5	-172.5	-99.8	0	0	0	113.1	N698 F699 V700 A705 K706	N698-H702 WeakPolarHBondContact O-CB 3.5Å; N698-H702 PolarHBondContact O-N 3.21Å; F699-H702 PolarHBondContact O-N 3.17Å; V700-H702 VanDerWaalsContact C-N 3.34Å; V700-H702 PolarHBondContact O-N 3.34Å; H702-A705 PolarHBondContact O-N 3.18Å; H702-K706 PolarHBondContact O-N 3.23Å
703	K	78.9	Confident	76.1	Confident	65 Å²	65	79.8 Å²	79.8	28%	0.283	41%	0.413	S	S	.	.	H	α-helix	trans	-68.5	-41.4	176.3	-122.4	-166.8	-178.8	-175.1	0	111.6	L676 F699 V700 A705 K706 L707	L676-K703 HydrophobicContact CD2-CB 3.82Å; L676-K703 HydrophobicContact CD2-CD 4.15Å; F699-K703 HydrophobicContact CE1-CD 4.12Å; F699-K703 HydrophobicContact CZ-CD 3.88Å; F699-K703 HydrophobicContact CZ-CG 4.43Å; F699-K703 PolarHBondContact O-N 3.45Å; V700-K703 PolarHBondContact O-N 3.27Å; K703-A705 VanDerWaalsContact C-N 3.29Å; K703-A705 PolarHBondContact O-N 3.16Å; K703-K706 PolarHBondContact O-N 2.93Å; K703-L707 WeakPolarHBondContact O-CG 3.39Å; K703-L707 PolarHBondContact O-N 3.36Å
704	A	75.6	Confident	74.6	Confident	35 Å²	35	86.2 Å²	86.2	29%	0.289	44%	0.442	S	S	.	.	H	α-helix	trans	-60.8	-37.7	175.3	0	0	0	0	0	112	V700 E701 K708	V700-A704 VanDerWaalsContact O-CB 3.31Å; V700-A704 WeakPolarHBondContact O-CB 3.36Å; V700-A704 PolarHBondContact O-N 2.85Å; E701-A704 PolarHBondContact O-N 3.01Å; A704-K708 WeakPolarHBondContact O-CG 3.46Å; A704-K708 PolarHBondContact O-N 2.86Å
705	A	76.7	Confident	72.9	Confident	57 Å²	57	87.7 Å²	87.7	47%	0.471	45%	0.449	S	S	.	.	H	α-helix	trans	-65.6	-45.7	172.6	0	0	0	0	0	112.9	E701 H702 K703 L707 K708 K709	E701-A705 WeakPolarHBondContact O-CB 3.42Å; E701-A705 PolarHBondContact O-N 3.23Å; H702-A705 PolarHBondContact O-N 3.18Å; K703-A705 VanDerWaalsContact C-N 3.29Å; K703-A705 PolarHBondContact O-N 3.16Å; A705-L707 VanDerWaalsContact C-N 3.31Å; A705-L707 PolarHBondContact O-N 2.95Å; A705-K708 PolarHBondContact O-N 3.23Å; A705-K709 WeakPolarHBondContact O-CB 3.4Å; A705-K709 PolarHBondContact O-N 3.31Å
706	K	75.3	Confident	70.9	Confident	113 Å²	113	86.2 Å²	86.2	49%	0.491	45%	0.453	S	S	.	.	H	α-helix	trans	-58.5	-43.1	175.6	-164.9	-171.9	-178.3	-168.6	0	110.9	E644 H702 K703 K709 A710	E644-K706 IonicContact OE1-NZ 3.77Å; E644-K706 PolarHBondContact OE1-NZ 3.28Å; E644-K706 IonicContact OE2-NZ 3.62Å; E644-K706 PolarHBondContact OE2-NZ 3.38Å; H702-K706 PolarHBondContact O-N 3.23Å; K703-K706 PolarHBondContact O-N 2.93Å; K706-K709 PolarHBondContact O-N 3.39Å; K706-A710 WeakPolarHBondContact O-CB 3.33Å; K706-A710 PolarHBondContact O-N 3.44Å
707	L	68.9	Low	68.8	Low	105 Å²	105	91.2 Å²	91.2	55%	0.55	48%	0.484	S	S	.	.	H	α-helix	trans	-65.2	-48.5	179.2	-72.8	168.3	0	0	0	112.8	K703 A705 K709 A710 A711	K703-L707 WeakPolarHBondContact O-CG 3.39Å; K703-L707 PolarHBondContact O-N 3.36Å; A705-L707 VanDerWaalsContact C-N 3.31Å; A705-L707 PolarHBondContact O-N 2.95Å; L707-K709 VanDerWaalsContact C-N 3.29Å; L707-K709 PolarHBondContact O-N 2.96Å; L707-A710 PolarHBondContact O-N 3.03Å; L707-A711 PolarHBondContact O-N 3.09Å
708	K	67.8	Low	66.7	Low	164 Å²	164	93.4 Å²	93.4	71%	0.713	50%	0.502	S	S	*	.	H	α-helix	trans	-59.2	-40.3	176.8	-75.6	176.4	179	178.4	0	111.9	A704 A705 S712	A704-K708 WeakPolarHBondContact O-CG 3.46Å; A704-K708 PolarHBondContact O-N 2.86Å; A705-K708 PolarHBondContact O-N 3.23Å; K708-S712 PolarHBondContact O-N 3.31Å
709	K	65.8	Low	64.5	Low	126 Å²	126	92.5 Å²	92.5	55%	0.548	51%	0.509	S	S	.	.	H	α-helix	trans	-63.9	-50.7	175.9	-176.5	172.6	170.4	179.1	0	111.9	A705 K706 L707 A711 S712 E713	A705-K709 WeakPolarHBondContact O-CB 3.4Å; A705-K709 PolarHBondContact O-N 3.31Å; K706-K709 PolarHBondContact O-N 3.39Å; L707-K709 VanDerWaalsContact C-N 3.29Å; L707-K709 PolarHBondContact O-N 2.96Å; K709-A711 VanDerWaalsContact C-N 3.27Å; K709-A711 PolarHBondContact O-N 2.93Å; K709-S712 PolarHBondContact O-N 3.06Å; K709-S712 PolarHBondContact O-OG 2.86Å; K709-E713 WeakPolarHBondContact CE-OE1 3.26Å; K709-E713 IonicContact NZ-OE1 2.76Å; K709-E713 PolarHBondContact O-N 3.18Å
710	A	65.5	Low	62	Low	40 Å²	40	96 Å²	96	33%	0.331	53%	0.534	S	S	.	.	H	α-helix	trans	-61	-34	179.6	0	0	0	0	0	112.9	K706 L707 K714	K706-A710 WeakPolarHBondContact O-CB 3.33Å; K706-A710 PolarHBondContact O-N 3.44Å; L707-A710 PolarHBondContact O-N 3.03Å; A710-K714 WeakPolarHBondContact O-CG 3.22Å; A710-K714 PolarHBondContact O-N 2.91Å; A710-K714 VanDerWaalsContact O-N 3.08Å
711	A	62.3	Low	59.5	Low	62 Å²	62	100.1 Å²	100.1	51%	0.512	56%	0.564	S	S	.	*	H	α-helix	trans	-65.2	-40.4	172.9	0	0	0	0	0	112.5	L707 K709 K715	L707-A711 PolarHBondContact O-N 3.09Å; K709-A711 VanDerWaalsContact C-N 3.27Å; K709-A711 PolarHBondContact O-N 2.93Å; A711-K715 PolarHBondContact O-N 3.26Å; A711-K715 VanDerWaalsContact O-N 3.15Å
712	S	55.7	Low	57.2	Low	69 Å²	69	100.1 Å²	100.1	48%	0.483	57%	0.574	S	S	.	*	H	α-helix	trans	-66.8	-39.5	177.4	75.4	0	0	0	0	112.6	K708 K709 K715 A716	K708-S712 PolarHBondContact O-N 3.31Å; K709-S712 PolarHBondContact O-N 3.06Å; K709-S712 PolarHBondContact O-OG 2.86Å; S712-K715 PolarHBondContact O-N 2.96Å; S712-A716 PolarHBondContact O-N 3.2Å; S712-A716 VanDerWaalsContact O-N 3.09Å
713	E	53.6	Low	54.7	Low	102 Å²	102	103.9 Å²	103.9	48%	0.477	59%	0.588	S	S	.	*	H	α-helix	trans	-68.9	-40	179.2	-70.2	169.8	160.3	0	0	111.2	K709 K715 A716 V717	K709-E713 WeakPolarHBondContact CE-OE1 3.26Å; K709-E713 IonicContact NZ-OE1 2.76Å; K709-E713 PolarHBondContact O-N 3.18Å; E713-K715 VanDerWaalsContact C-N 3.33Å; E713-K715 PolarHBondContact O-N 3.04Å; E713-A716 PolarHBondContact O-N 2.91Å; E713-V717 WeakPolarHBondContact O-CG2 3.5Å; E713-V717 PolarHBondContact O-N 3.44Å; E713-V717 VanDerWaalsContact O-N 3.09Å
714	K	57.9	Low	52.1	Low	164 Å²	164	104.5 Å²	104.5	71%	0.713	61%	0.612	S	S	*	*	H	α-helix	trans	-61.8	-37.6	172	-75.1	-179.8	178.3	-176.5	0	112.7	A710 A718	A710-K714 WeakPolarHBondContact O-CG 3.22Å; A710-K714 PolarHBondContact O-N 2.91Å; A710-K714 VanDerWaalsContact O-N 3.08Å; K714-A718 PolarHBondContact O-N 2.87Å
715	K	49.6	Very low	49.8	Very low	174 Å²	174	112.2 Å²	112.2	76%	0.757	64%	0.643	S	S	*	*	H	α-helix	trans	-65.5	-36.6	174.7	-117.3	-176.6	178.8	-175.8	0	112.5	A711 S712 E713	A711-K715 PolarHBondContact O-N 3.26Å; A711-K715 VanDerWaalsContact O-N 3.15Å; S712-K715 PolarHBondContact O-N 2.96Å; E713-K715 VanDerWaalsContact C-N 3.33Å; E713-K715 PolarHBondContact O-N 3.04Å
716	A	44.5	Very low	47.3	Very low	62 Å²	62	116.9 Å²	116.9	51%	0.512	66%	0.655	S	S	.	*	H	α-helix	trans	-68.5	-42.8	177	0	0	0	0	0	112.8	S712 E713 A719 T720	S712-A716 PolarHBondContact O-N 3.2Å; S712-A716 VanDerWaalsContact O-N 3.09Å; E713-A716 PolarHBondContact O-N 2.91Å; A716-A719 PolarHBondContact O-N 3.04Å; A716-T720 PolarHBondContact O-OG1 2.92Å
717	V	42.4	Very low	45	Very low	107 Å²	107	119.8 Å²	119.8	65%	0.648	67%	0.67	S	S	*	*	H	α-helix	trans	-65.5	-41.7	179.5	174.8	0	0	0	0	111.6	E713 A719 T720	E713-V717 WeakPolarHBondContact O-CG2 3.5Å; E713-V717 PolarHBondContact O-N 3.44Å; E713-V717 VanDerWaalsContact O-N 3.09Å; V717-A719 PolarHBondContact O-N 3.49Å; V717-T720 PolarHBondContact O-N 3.06Å
718	A	41.5	Very low	42.8	Very low	77 Å²	77	119.8 Å²	119.8	64%	0.636	68%	0.679	S	S	*	*	H	α-helix	trans	-59.5	-29.8	179.4	0	0	0	0	0	113.7	K714 T720	K714-A718 PolarHBondContact O-N 2.87Å; A718-T720 PolarHBondContact O-N 3.22Å
719	A	38	Very low	40.8	Very low	86 Å²	86	117.5 Å²	117.5	71%	0.711	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-6	-178.6	0	0	0	0	0	114.9	A716 V717	A716-A719 PolarHBondContact O-N 3.04Å; V717-A719 PolarHBondContact O-N 3.49Å
720	T	35.1	Very low	38.9	Very low	115 Å²	115	118.1 Å²	118.1	71%	0.706	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	-5.5	-165.9	-44.5	0	0	0	0	114.5	A716 V717 A718	A716-T720 PolarHBondContact O-OG1 2.92Å; V717-T720 PolarHBondContact O-N 3.06Å; A718-T720 PolarHBondContact O-N 3.22Å
721	S	34	Very low	37.1	Very low	105 Å²	105	124.1 Å²	124.1	73%	0.734	70%	0.702	S	S	*	*			trans	-127.4	67.2	-167.2	-69.1	0	0	0	0	115.8
722	T	31.8	Very low	35.3	Very low	138 Å²	138	127 Å²	127	85%	0.847	71%	0.713	S	S	*	*			trans	-142.9	90.2	165.4	-35.7	0	0	0	0	113.1
723	K	27.9	Very low	33.9	Very low	216 Å²	216	131.2 Å²	131.2	94%	0.939	72%	0.723	S	S	*	*			trans	-161.9	123	164.8	-115.8	170.6	-173.1	174	0	112.3
724	G	25.3	Very low	32.5	Very low	77 Å²	77	132.1 Å²	132.1	79%	0.794	73%	0.731	S	S	*	*			trans	85.1	153.9	-175.7	0	0	0	0	0	113.2
725	Q	26.6	Very low	30.9	Very low	197 Å²	197	132.1 Å²	132.1	92%	0.921	74%	0.736	S	S	*	*			cis	-156.5	163.8	-3.9	-174.1	169.1	-33.9	0	0	109.8
726	E	24.4	Very low	29.6	Very low	156 Å²	156	128.2 Å²	128.2	73%	0.729	74%	0.736	S	S	*	*			trans	-96.6	170.9	-170.6	-45	-178	141.7	0	0	117
727	Q	25.6	Very low	28.6	Very low	174 Å²	174	131 Å²	131	81%	0.813	75%	0.752	S	S	*	*			trans	99.2	136.7	142.9	-75.6	172.4	47.2	0	0	123.4
728	S	24	Very low	27.6	Very low	104 Å²	104	133.9 Å²	133.9	73%	0.727	76%	0.763	S	S	*	*			trans	104	94.6	149.5	-163.4	0	0	0	0	122.8
729	T	24.8	Very low	27.2	Very low	117 Å²	117	135.4 Å²	135.4	72%	0.718	77%	0.766	S	S	*	*				2.5	156	125.1	48.9	0	0	0	0	121.2
730	Q	27.5	Very low	26.5	Very low	139 Å²	139	135.7 Å²	135.7	65%	0.65	76%	0.763	S	S	*	*			cis	-170.3	166.9	11.8	-128.9	-177.8	11.1	0	0	114.5
731	K	26.9	Very low	25.9	Very low	165 Å²	165	138.4 Å²	138.4	72%	0.717	77%	0.767	S	S	*	*			trans	70	157.4	152.1	-72.5	166.2	175.5	143.8	0	117.8
732	T	25	Very low	25.4	Very low	122 Å²	122	137.2 Å²	137.2	75%	0.748	76%	0.759	S	S	*	*			cis	-174.8	169.6	-3.6	26.8	0	0	0	0	108.6
733	K	25.4	Very low	24.9	Very low	159 Å²	159	137.5 Å²	137.5	69%	0.691	76%	0.756	S	S	*	*			cis	175.7	170	-17.9	-178.9	-176.5	167.3	-70.1	0	108.3
734	D	23.6	Very low	24.8	Very low	121 Å²	121	134 Å²	134	65%	0.647	74%	0.742	S	S	*	*			trans	77.6	149.6	162.8	-69.3	-41.4	0	0	0	118.9
735	M	24.6	Very low	25.3	Very low	164 Å²	164	134.7 Å²	134.7	81%	0.808	73%	0.733	S	S	*	*			cis	-172.2	150.9	-9.6	162.2	177.1	69.8	0	0	112.8
736	A	23.6	Very low	25.2	Very low	92 Å²	92	133 Å²	133	76%	0.76	72%	0.722	S	S	*	*			trans	68.6	156.6	162.3	0	0	0	0	0	119.4
737	S	22.8	Very low	25.2	Very low	120 Å²	120	137.8 Å²	137.8	84%	0.839	73%	0.734	S	S	*	*			cis	-159.4	167.8	-5.7	39.2	0	0	0	0	113.9
738	L	21.4	Very low	25.2	Very low	168 Å²	168	138.5 Å²	138.5	88%	0.88	73%	0.734	S	S	*	*			trans	-76.3	-174.7	176.5	-68.7	163.2	0	0	0	113.9
739	P	32.9	Very low	25.3	Very low	108 Å²	108	140.6 Å²	140.6	70%	0.701	74%	0.737	S	S	*	*			cis	-142.4	-174.4	6.8	45.4	-26.5	0	0	0	118.7
740	S	22.6	Very low	25.7	Very low	93 Å²	93	140.7 Å²	140.7	65%	0.65	74%	0.739	S	S	*	*			trans	70.5	149.5	152.2	-65.5	0	0	0	0	119.8
741	E	23.5	Very low	25.7	Very low	171 Å²	171	140.5 Å²	140.5	80%	0.799	75%	0.747	S	S	*	*			cis	-174.5	173.9	-12.1	-110.9	166.9	-92.6	0	0	108.4
742	S	22.6	Very low	25.6	Very low	80 Å²	80	136.1 Å²	136.1	56%	0.559	75%	0.749	S	S	*	*			cis	-167.6	178.9	-3.1	51.3	0	0	0	0	111.4
743	N	22.8	Very low	25.6	Very low	145 Å²	145	134.9 Å²	134.9	78%	0.775	75%	0.751	S	S	*	*			trans	72.8	106	153.5	-62.1	-31.7	0	0	0	123.9
744	E	24.5	Very low	25.6	Very low	142 Å²	142	133.4 Å²	133.4	66%	0.664	76%	0.759	S	S	*	*				18.2	162.6	117.6	-76.5	-100.3	105.3	0	0	122	K746	E744-K746 IonicContact OE1-NZ 2.6Å; E744-K746 PolarHBondContact OE1-NZ 3.41Å; E744-K746 IonicContact OE2-NZ 3.81Å; E744-K746 PolarHBondContact OE2-NZ 3.44Å
745	P	35.7	Very low	25.8	Very low	92 Å²	92	134.6 Å²	134.6	60%	0.597	77%	0.77	S	S	*	*			cis	-148.7	160.7	-21.5	36.3	-15.3	0	0	0	120.1
746	K	26.1	Very low	26	Very low	160 Å²	160	132.1 Å²	132.1	70%	0.696	77%	0.77	S	S	*	*			trans	44.4	127.2	135.5	-54.3	166.7	-177.8	85	0	122.8	E744	E744-K746 IonicContact OE1-NZ 2.6Å; E744-K746 PolarHBondContact OE1-NZ 3.41Å; E744-K746 IonicContact OE2-NZ 3.81Å; E744-K746 PolarHBondContact OE2-NZ 3.44Å
747	R	24	Very low	26.1	Very low	258 Å²	258	133 Å²	133	97%	0.974	77%	0.77	S	S	*	*				-164.4	167.8	121.4	-115.1	172.7	177	147.9	-0.1	116.7
748	K	24.5	Very low	26.3	Very low	188 Å²	188	133.2 Å²	133.2	82%	0.817	77%	0.766	S	S	*	*			trans	-95.4	143.5	-159.6	-85.9	-178	179.5	-172.7	0	114.2
749	L	27	Very low	26.4	Very low	148 Å²	148	130.4 Å²	130.4	78%	0.775	76%	0.759	S	S	*	*				54.2	136.3	96.7	-84.1	170	0	0	0	115.9
750	P	33.4	Very low	26.4	Very low	119 Å²	119	128.1 Å²	128.1	77%	0.773	74%	0.743	S	S	*	*				-142.2	-167.7	72.9	41.1	-24.7	0	0	0	114
751	V	27.1	Very low	26.6	Very low	136 Å²	136	129.2 Å²	129.2	82%	0.824	74%	0.742	S	S	*	*			cis	-166.2	152.4	-40.6	150.8	0	0	0	0	106.1
752	G	23.9	Very low	27.2	Very low	72 Å²	72	128 Å²	128	74%	0.742	73%	0.731	S	S	*	*			trans	-157.5	12.4	-174.2	0	0	0	0	0	121.9
753	A	25.8	Very low	27.9	Very low	97 Å²	97	129.5 Å²	129.5	80%	0.802	73%	0.729	S	S	*	*			trans	63.4	163.9	178.1	0	0	0	0	0	117.4
754	C	24.9	Very low	28.3	Very low	128 Å²	128	127.8 Å²	127.8	87%	0.865	73%	0.729	S	S	*	*			trans	-136.6	156.7	-166.2	-55.4	0	0	0	0	113.1
755	V	27.8	Very low	28.9	Very low	145 Å²	145	126.9 Å²	126.9	88%	0.879	72%	0.722	S	S	*	*			trans	-123	150.7	159.4	178.6	0	0	0	0	107.7	S757	V755-S757 PolarHBondContact O-N 3.42Å
756	S	28.6	Very low	28.9	Very low	113 Å²	113	132.2 Å²	132.2	79%	0.79	74%	0.739	S	S	*	*			trans	-63.4	118.7	-170.1	-168.6	0	0	0	0	113.2	V758	S756-V758 PolarHBondContact O-N 3.2Å
757	S	25.9	Very low	29.6	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	74%	0.742	S	S	*	*			trans	-84.8	105.5	174.1	56.2	0	0	0	0	111.2	V755 C759	V755-S757 PolarHBondContact O-N 3.42Å; S757-C759 PolarHBondContact O-N 2.88Å
758	V	27.9	Very low	30.5	Very low	123 Å²	123	120.4 Å²	120.4	75%	0.745	72%	0.718	S	S	*	*			trans	-68.2	125.7	163.1	177.2	0	0	0	0	107.6	S756 V760	S756-V758 PolarHBondContact O-N 3.2Å; V758-V760 HydrophobicContact CG1-CG2 4.36Å; V758-V760 PolarHBondContact O-N 3.06Å; V758-V760 VanDerWaalsContact O-N 3.15Å
759	C	24.1	Very low	31.6	Very low	109 Å²	109	113.8 Å²	113.8	74%	0.736	70%	0.699	S	S	*	*			trans	-80.8	95.5	179.3	-170.2	0	0	0	0	109.4	S757 N761	S757-C759 PolarHBondContact O-N 2.88Å; C759-N761 PolarHBondContact O-N 3.2Å
760	V	31.4	Very low	32.7	Very low	60 Å²	60	107.9 Å²	107.9	36%	0.364	67%	0.674	S	S	.	*			trans	-85.5	105.3	173.3	-179.3	0	0	0	0	108.6	P545 V758 Y762	P545-V760 HydrophobicContact CB-CG1 3.63Å; P545-V760 HydrophobicContact CB-CG2 4.38Å; P545-V760 HydrophobicContact CG-CG1 3.85Å; V758-V760 HydrophobicContact CG1-CG2 4.36Å; V758-V760 PolarHBondContact O-N 3.06Å; V758-V760 VanDerWaalsContact O-N 3.15Å; V760-Y762 HydrophobicContact CB-CE2 4.45Å; V760-Y762 HydrophobicContact CG1-CD2 3.91Å; V760-Y762 HydrophobicContact CG1-CE2 3.72Å; V760-Y762 PolarHBondContact O-N 3.15Å
761	N	27.3	Very low	33.7	Very low	117 Å²	117	106.3 Å²	106.3	63%	0.626	66%	0.656	S	S	*	*			trans	-76.4	108.4	169.6	-73.3	-9.2	0	0	0	109.2	C759	C759-N761 PolarHBondContact O-N 3.2Å
762	Y	35.4	Very low	35.4	Very low	145 Å²	145	101 Å²	101	57%	0.569	62%	0.624	S	S	*	*	B	Isolated β-bridge	trans	-83.4	118.5	163.3	-77.8	-93.7	0	0	0	108.9	P545 V760 S764	P545-Y762 HydrophobicContact CG-CE1 4.2Å; P545-Y762 HydrophobicContact CG-CE2 4.35Å; P545-Y762 WeakPolarHBondContact CG-OH 3.35Å; V760-Y762 HydrophobicContact CB-CE2 4.45Å; V760-Y762 HydrophobicContact CG1-CD2 3.91Å; V760-Y762 HydrophobicContact CG1-CE2 3.72Å; V760-Y762 PolarHBondContact O-N 3.15Å; Y762-S764 PolarHBondContact O-N 2.79Å
763	E	37.8	Very low	37.5	Very low	112 Å²	112	102 Å²	102	52%	0.523	62%	0.619	S	S	.	*			trans	-83.5	99.7	163.8	-66.6	-166.2	152.9	0	0	108.3	F765	E763-F765 HydrophobicContact CB-CD2 4.4Å; E763-F765 HydrophobicContact CB-CE2 3.59Å; E763-F765 HydrophobicContact CB-CZ 3.75Å; E763-F765 VanDerWaalsContact O-CD2 3.27Å; E763-F765 WeakPolarHBondContact O-CD2 3.48Å; E763-F765 WeakPolarHBondContact O-CE2 3.41Å; E763-F765 PolarHBondContact O-N 2.81Å
764	S	32	Very low	40.2	Very low	109 Å²	109	98.3 Å²	98.3	76%	0.762	59%	0.587	S	S	*	*			trans	-81.2	95.3	178.3	57.6	0	0	0	0	110.5	Y762	Y762-S764 PolarHBondContact O-N 2.79Å
765	F	35.9	Very low	43.1	Very low	122 Å²	122	95.3 Å²	95.3	54%	0.535	57%	0.571	S	S	.	*			trans	-77.9	153.8	170.3	-58	-78.1	0	0	0	110.9	E763 V767	E763-F765 HydrophobicContact CB-CD2 4.4Å; E763-F765 HydrophobicContact CB-CE2 3.59Å; E763-F765 HydrophobicContact CB-CZ 3.75Å; E763-F765 VanDerWaalsContact O-CD2 3.27Å; E763-F765 WeakPolarHBondContact O-CD2 3.48Å; E763-F765 WeakPolarHBondContact O-CE2 3.41Å; E763-F765 PolarHBondContact O-N 2.81Å; F765-V767 VanDerWaalsContact C-N 3.26Å; F765-V767 PolarHBondContact O-N 3.08Å; F765-V767 VanDerWaalsContact O-N 3.13Å
766	E	37	Very low	45.9	Very low	204 Å²	204	89.9 Å²	89.9	95%	0.953	54%	0.535	S	S	*	.	S	Bend	trans	-64.8	-20.3	-166.3	-75.3	-175.9	117.6	0	0	115.5
767	V	39.5	Very low	48.6	Very low	125 Å²	125	87.2 Å²	87.2	76%	0.758	51%	0.512	S	S	*	.	S	Bend	trans	-141.7	93.6	175.5	-171.2	0	0	0	0	110.6	F765	F765-V767 VanDerWaalsContact C-N 3.26Å; F765-V767 PolarHBondContact O-N 3.08Å; F765-V767 VanDerWaalsContact O-N 3.13Å
768	G	42.7	Very low	51.7	Low	45 Å²	45	84.3 Å²	84.3	46%	0.464	49%	0.492	S	S	.	.	S	Bend	trans	162.4	163.8	171.7	0	0	0	0	0	113.7	G770	G768-G770 PolarHBondContact O-N 2.92Å; G768-G770 VanDerWaalsContact O-N 3.16Å
769	A	48.9	Very low	54.9	Low	50 Å²	50	79 Å²	79	41%	0.413	46%	0.459	S	S	.	.	S	Bend	trans	-73.4	102.5	162.9	0	0	0	0	0	107.6	Q771 I799	A769-Q771 PolarHBondContact O-N 3.09Å; A769-I799 HydrophobicContact CB-CG2 4.17Å; A769-I799 PolarHBondContact N-O 3.26Å
770	G	49.6	Very low	58.2	Low	24 Å²	24	79.1 Å²	79.1	25%	0.247	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-49.1	122.8	-166.4	0	0	0	0	0	113.7	G768 V772	G768-G770 PolarHBondContact O-N 2.92Å; G768-G770 VanDerWaalsContact O-N 3.16Å; G770-V772 PolarHBondContact O-N 3.09Å
771	Q	54.4	Low	61.2	Low	86 Å²	86	77.2 Å²	77.2	40%	0.402	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-61.9	136.2	-177.4	178.3	171.9	-19.6	0	0	111	A769	A769-Q771 PolarHBondContact O-N 3.09Å
772	V	62.2	Low	64.3	Low	24 Å²	24	75.2 Å²	75.2	15%	0.145	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-69.6	134	174.1	-173.9	0	0	0	0	109.6	P545 G770 V774	P545-V772 HydrophobicContact CB-CB 4.5Å; P545-V772 HydrophobicContact CB-CG1 3.71Å; P545-V772 HydrophobicContact CB-CG2 3.94Å; P545-V772 HydrophobicContact CG-CG1 4.34Å; P545-V772 HydrophobicContact CG-CG2 3.7Å; G770-V772 PolarHBondContact O-N 3.09Å; V772-V774 HydrophobicContact CB-CG2 3.97Å; V772-V774 HydrophobicContact CG1-CG2 3.87Å; V772-V774 PolarHBondContact O-N 3.47Å
773	S	69.1	Low	67.2	Low	93 Å²	93	68.4 Å²	68.4	65%	0.65	40%	0.399	S	S	*	.			trans	-68.3	99.9	168.6	-162	0	0	0	0	109.4
774	V	82.3	Confident	69.9	Low	20 Å²	20	66.5 Å²	66.5	12%	0.121	39%	0.39	C	S	.	.			trans	-112.4	133.3	-176.4	170.1	0	0	0	0	109.4	C548 Q549 V552 V772 Y776	C548-V774 HydrophobicContact CB-CG2 4.29Å; Q549-V774 VanDerWaalsContact OE1-CA 3.3Å; V552-V774 HydrophobicContact CB-CG1 4.32Å; V552-V774 HydrophobicContact CG1-CG1 4.28Å; V552-V774 HydrophobicContact CG2-CG1 4.14Å; V772-V774 HydrophobicContact CB-CG2 3.97Å; V772-V774 HydrophobicContact CG1-CG2 3.87Å; V772-V774 PolarHBondContact O-N 3.47Å; V774-Y776 HydrophobicContact CB-CE2 3.8Å; V774-Y776 HydrophobicContact CG1-CD1 4.25Å; V774-Y776 HydrophobicContact CG1-CD2 4.13Å; V774-Y776 HydrophobicContact CG1-CE1 3.79Å; V774-Y776 HydrophobicContact CG1-CE2 3.68Å; V774-Y776 HydrophobicContact CG1-CG 4.4Å; V774-Y776 VanDerWaalsContact CG1-CZ 3.48Å; V774-Y776 WeakPolarHBondContact O-CD2 3.35Å; V774-Y776 WeakPolarHBondContact O-CE2 3.3Å
775	A	85.2	Confident	73	Confident	64 Å²	64	61.6 Å²	61.6	53%	0.529	36%	0.356	S	S	.	.			trans	-93.1	110.8	173.8	0	0	0	0	0	109.8	Q549	Q549-A775 PolarHBondContact NE2-O 2.95Å
776	Y	86.9	Confident	76	Confident	31 Å²	31	55.8 Å²	55.8	12%	0.122	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-87.3	130.3	-179.8	-62.3	-88.7	0	0	0	111.5	V552 D591 I592 N595 V774	V552-Y776 HydrophobicContact CB-CD1 4.46Å; V552-Y776 HydrophobicContact CG1-CD1 3.42Å; V552-Y776 VanDerWaalsContact CG1-CD1 3.42Å; V552-Y776 HydrophobicContact CG1-CE1 3.9Å; V552-Y776 HydrophobicContact CG1-CG 4.17Å; V552-Y776 HydrophobicContact CG2-CD1 4.19Å; V552-Y776 HydrophobicContact CG2-CE1 3.79Å; D591-Y776 HydrophobicContact CB-CD1 4.47Å; D591-Y776 HydrophobicContact CB-CE1 3.56Å; I592-Y776 HydrophobicContact CG1-CD1 4.18Å; N595-Y776 HydrophobicContact CB-CD1 4.41Å; N595-Y776 HydrophobicContact CB-CD2 3.57Å; N595-Y776 HydrophobicContact CB-CE2 4.36Å; N595-Y776 HydrophobicContact CB-CG 3.6Å; N595-Y776 WeakPolarHBondContact ND2-CD2 3.32Å; N595-Y776 WeakPolarHBondContact ND2-CE2 3.39Å; V774-Y776 HydrophobicContact CB-CE2 3.8Å; V774-Y776 HydrophobicContact CG1-CD1 4.25Å; V774-Y776 HydrophobicContact CG1-CD2 4.13Å; V774-Y776 HydrophobicContact CG1-CE1 3.79Å; V774-Y776 HydrophobicContact CG1-CE2 3.68Å; V774-Y776 HydrophobicContact CG1-CG 4.4Å; V774-Y776 VanDerWaalsContact CG1-CZ 3.48Å; V774-Y776 WeakPolarHBondContact O-CD2 3.35Å; V774-Y776 WeakPolarHBondContact O-CE2 3.3Å
777	N	85.9	Confident	78.9	Confident	57 Å²	57	46.1 Å²	46.1	31%	0.305	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-72.5	143.5	172.4	-74.4	-23.9	0	0	0	110.7	Q596	Q596-N777 PolarHBondContact NE2-O 2.79Å
778	S	91.1	Very high	81.6	Confident	51 Å²	51	40.1 Å²	40.1	36%	0.357	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-80.1	141.6	173.4	-61.3	0	0	0	0	110.8	N560	N560-S778 PolarHBondContact ND2-O 2.86Å
779	L	94.3	Very high	84.1	Confident	10 Å²	10	38.1 Å²	38.1	5%	0.052	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-77.6	143.8	172.4	-60.5	-177.3	0	0	0	109.9	I559 N560 I592 L593 F781 P783	I559-L779 HydrophobicContact CB-CD2 4.32Å; I559-L779 HydrophobicContact CG2-CD2 3.84Å; N560-L779 WeakPolarHBondContact OD1-CA 3.4Å; I592-L779 HydrophobicContact CG2-CD1 4.42Å; I592-L779 HydrophobicContact CG2-CD2 4.18Å; I592-L779 HydrophobicContact CG2-CG 4.19Å; L593-L779 HydrophobicContact CD2-CD1 3.9Å; L779-F781 HydrophobicContact CB-CE1 4.47Å; L779-F781 HydrophobicContact CD1-CZ 4.35Å; L779-F781 PolarHBondContact O-N 3.32Å; L779-F781 VanDerWaalsContact O-N 3.15Å; L779-P783 HydrophobicContact CD1-CG 4.02Å
780	D	93.3	Very high	86.2	Confident	112 Å²	112	35.8 Å²	35.8	60%	0.599	21%	0.208	S	C	*	.	S	Bend	trans	-79.2	13.4	179.1	-67.6	-38	0	0	0	113.1	N560	N560-D780 VanDerWaalsContact CB-OD2 3.3Å; N560-D780 WeakPolarHBondContact CB-OD2 3.25Å; N560-D780 PolarHBondContact ND2-N 3.42Å; N560-D780 PolarHBondContact ND2-OD2 3.42Å; N560-D780 PolarHBondContact OD1-N 3.49Å; N560-D780 VanDerWaalsContact OD1-N 3.09Å
781	F	93.7	Very high	88.3	Confident	21 Å²	21	34.6 Å²	34.6	9%	0.092	20%	0.196	C	C	.	.	S	Bend	trans	-154.6	161.6	179.1	60.6	-84.1	0	0	0	111.3	F448 I559 H563 V577 V579 L779 P783	F448-F781 HydrophobicContact CD2-CE1 4.25Å; F448-F781 HydrophobicContact CD2-CE2 4.16Å; F448-F781 AromaticContact CD2-CZ 3.52Å; F448-F781 HydrophobicContact CD2-CZ 3.52Å; F448-F781 AromaticContact CE2-CE1 3.77Å; F448-F781 HydrophobicContact CE2-CE1 3.77Å; F448-F781 HydrophobicContact CE2-CE2 4.12Å; F448-F781 AromaticContact CE2-CZ 3.44Å; F448-F781 HydrophobicContact CE2-CZ 3.44Å; F448-F781 VanDerWaalsContact CE2-CZ 3.44Å; I559-F781 HydrophobicContact CG2-CE1 3.6Å; I559-F781 HydrophobicContact CG2-CZ 3.55Å; H563-F781 HydrophobicContact CB-CD1 3.97Å; H563-F781 HydrophobicContact CB-CE1 3.85Å; H563-F781 AromaticContact CD2-CD1 3.75Å; H563-F781 AromaticContact CE1-CD1 3.84Å; H563-F781 AromaticContact CG-CD1 3.49Å; H563-F781 VanDerWaalsContact CG-CD1 3.49Å; H563-F781 AromaticContact CG-CE1 3.88Å; H563-F781 AromaticContact ND1-CD1 3.56Å; H563-F781 AromaticContact NE2-CD1 3.97Å; V577-F781 HydrophobicContact CB-CD2 3.87Å; V577-F781 HydrophobicContact CB-CE2 4.13Å; V577-F781 HydrophobicContact CG1-CD2 3.58Å; V577-F781 HydrophobicContact CG1-CE2 3.36Å; V577-F781 HydrophobicContact CG1-CG 4.39Å; V577-F781 HydrophobicContact CG1-CZ 4.04Å; V579-F781 HydrophobicContact CG1-CE2 4.47Å; L779-F781 HydrophobicContact CB-CE1 4.47Å; L779-F781 HydrophobicContact CD1-CZ 4.35Å; L779-F781 PolarHBondContact O-N 3.32Å; L779-F781 VanDerWaalsContact O-N 3.15Å; F781-P783 HydrophobicContact CD2-CG 4.05Å; F781-P783 HydrophobicContact CE2-CB 4.28Å; F781-P783 HydrophobicContact CE2-CG 3.76Å
782	E	93.6	Very high	90.1	Very high	75 Å²	75	30.5 Å²	30.5	35%	0.35	18%	0.177	S	C	.	.			trans	-99.4	111.6	174.6	-64.9	-178.2	-174.7	0	0	109.8	T813	E782-T813 HydrophobicContact CG-CG2 4.07Å
783	P	95.3	Very high	91.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	17%	0.17	C	C	.	.			trans	-74.7	130.4	-177.7	-14.5	29.7	0	0	0	112.1	V577 V579 L593 L779 F781 T813 C814	V577-P783 CarbonylContact O-C 3.53Å; V577-P783 VanDerWaalsContact O-CA 3.28Å; V577-P783 WeakPolarHBondContact O-CA 3.43Å; V579-P783 HydrophobicContact CG1-CB 4.36Å; V579-P783 HydrophobicContact CG1-CG 4.35Å; V579-P783 HydrophobicContact CG2-CB 4.49Å; L593-P783 HydrophobicContact CD2-CG 3.86Å; L779-P783 HydrophobicContact CD1-CG 4.02Å; F781-P783 HydrophobicContact CD2-CG 4.05Å; F781-P783 HydrophobicContact CE2-CB 4.28Å; F781-P783 HydrophobicContact CE2-CG 3.76Å; P783-T813 VanDerWaalsContact O-O 3.14Å; P783-C814 VanDerWaalsContact O-CA 3.26Å; P783-C814 WeakPolarHBondContact O-CA 3.32Å; P783-C814 WeakPolarHBondContact O-CB 3.17Å; P783-C814 PolarHBondContact O-SG 3.14Å; P783-C814 VanDerWaalsContact O-SG 3.38Å
784	E	95	Very high	92.7	Very high	72 Å²	72	25.2 Å²	25.2	34%	0.336	14%	0.141	S	C	.	.	S	Bend	trans	-66.7	-45.3	179.2	-62.6	-160.3	155.8	0	0	112.3	H445 V577 K815 G816 T990	H445-E784 IonicContact CE1-OE2 3.88Å; H445-E784 PolarHBondContact CE1-OE2 2.89Å; V577-E784 PolarHBondContact O-N 3.41Å; E784-K815 PolarHBondContact O-N 2.69Å; E784-G816 PolarHBondContact O-N 2.99Å; E784-T990 WeakPolarHBondContact OE2-CB 3.42Å; E784-T990 WeakPolarHBondContact OE2-CG2 3.34Å; E784-T990 PolarHBondContact OE2-OG1 2.9Å; E784-T990 VanDerWaalsContact OE2-OG1 3.05Å
785	I	97.2	Very high	93.1	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.036	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.8	-174.4	-48.1	174	0	0	0	110.4	S578 V579 F787 G816 F818 E986 I987 T990	S578-I785 WeakPolarHBondContact CA-O 3.31Å; S578-I785 WeakPolarHBondContact CB-O 3.4Å; S578-I785 PolarHBondContact OG-N 2.77Å; S578-I785 PolarHBondContact OG-O 2.82Å; V579-I785 PolarHBondContact N-O 3.44Å; I785-F787 HydrophobicContact CB-CE2 3.99Å; I785-F787 HydrophobicContact CB-CZ 4.09Å; I785-F787 HydrophobicContact CD1-CZ 4.01Å; I785-F787 HydrophobicContact CG2-CD1 4.16Å; I785-F787 HydrophobicContact CG2-CD2 4.08Å; I785-F787 HydrophobicContact CG2-CE1 3.73Å; I785-F787 HydrophobicContact CG2-CE2 3.65Å; I785-F787 HydrophobicContact CG2-CG 4.33Å; I785-F787 HydrophobicContact CG2-CZ 3.46Å; I785-F787 VanDerWaalsContact CG2-CZ 3.46Å; I785-G816 CarbonylContact C-O 3.52Å; I785-G816 WeakPolarHBondContact CA-O 3.21Å; I785-F818 HydrophobicContact CG2-CD2 3.49Å; I785-F818 VanDerWaalsContact CG2-CD2 3.49Å; I785-F818 HydrophobicContact CG2-CE2 3.58Å; I785-E986 HydrophobicContact CD1-CB 4.22Å; I785-I987 HydrophobicContact CD1-CG1 4.37Å; I785-T990 HydrophobicContact CD1-CG2 4.09Å
786	F	98	Very high	93.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.6	164.4	175.7	-155.5	0	0	0	110.4	V579 S586 L589 F590 L593 A788 I793 L811 C814 G816 F817 F818	V579-F786 HydrophobicContact CG2-CB 3.97Å; V579-F786 HydrophobicContact CG2-CD2 3.77Å; V579-F786 HydrophobicContact CG2-CG 4.02Å; V579-F786 WeakPolarHBondContact O-CA 3.27Å; S586-F786 VanDerWaalsContact O-CZ 3.26Å; S586-F786 WeakPolarHBondContact O-CZ 3.47Å; L589-F786 HydrophobicContact CB-CD2 4.48Å; L589-F786 HydrophobicContact CB-CE1 4.26Å; L589-F786 HydrophobicContact CB-CE2 3.81Å; L589-F786 HydrophobicContact CB-CZ 3.71Å; L589-F786 HydrophobicContact CD1-CD2 4.28Å; L589-F786 HydrophobicContact CD1-CE2 3.81Å; L589-F786 HydrophobicContact CG-CE2 4.5Å; F590-F786 HydrophobicContact CB-CE1 3.97Å; F590-F786 HydrophobicContact CD2-CE1 4.28Å; L593-F786 HydrophobicContact CD1-CB 3.81Å; L593-F786 HydrophobicContact CD1-CD1 3.56Å; L593-F786 HydrophobicContact CD1-CE1 4.32Å; L593-F786 HydrophobicContact CD1-CG 3.75Å; F786-A788 HydrophobicContact CE2-CB 4.13Å; F786-A788 HydrophobicContact CZ-CB 3.95Å; F786-I793 HydrophobicContact CE1-CD1 4.34Å; F786-I793 HydrophobicContact CZ-CD1 4.35Å; F786-L811 HydrophobicContact CD1-CD1 4.24Å; F786-C814 PolarHBondContact N-SG 2.89Å; F786-C814 VanDerWaalsContact N-SG 3.44Å; F786-G816 PolarHBondContact N-O 3.21Å; F786-F817 HydrophobicContact CB-CD2 4.38Å; F786-F817 AromaticContact CD1-CD2 3.61Å; F786-F817 HydrophobicContact CD1-CD2 3.61Å; F786-F817 AromaticContact CD1-CE2 3.51Å; F786-F817 HydrophobicContact CD1-CE2 3.51Å; F786-F817 HydrophobicContact CE1-CD2 4.19Å; F786-F817 AromaticContact CE1-CE2 3.6Å; F786-F817 HydrophobicContact CE1-CE2 3.6Å; F786-F817 HydrophobicContact CG-CD2 4.27Å; F786-F817 HydrophobicContact CG-CE2 4.4Å; F786-F817 WeakPolarHBondContact O-CA 3.25Å; F786-F818 PolarHBondContact O-N 3.21Å
787	F	98.1	Very high	93.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.4	170.4	-55.6	-80.9	0	0	0	110	V579 A580 G581 I785 F818 I820 L983 E986 I987	V579-F787 PolarHBondContact O-N 2.8Å; A580-F787 CarbonylContact C-O 3.57Å; A580-F787 VanDerWaalsContact CA-O 3.27Å; A580-F787 WeakPolarHBondContact CA-O 3.19Å; A580-F787 HydrophobicContact CB-CB 4.32Å; G581-F787 PolarHBondContact N-O 2.85Å; I785-F787 HydrophobicContact CB-CE2 3.99Å; I785-F787 HydrophobicContact CB-CZ 4.09Å; I785-F787 HydrophobicContact CD1-CZ 4.01Å; I785-F787 HydrophobicContact CG2-CD1 4.16Å; I785-F787 HydrophobicContact CG2-CD2 4.08Å; I785-F787 HydrophobicContact CG2-CE1 3.73Å; I785-F787 HydrophobicContact CG2-CE2 3.65Å; I785-F787 HydrophobicContact CG2-CG 4.33Å; I785-F787 HydrophobicContact CG2-CZ 3.46Å; I785-F787 VanDerWaalsContact CG2-CZ 3.46Å; F787-F818 HydrophobicContact CD1-CB 3.93Å; F787-F818 HydrophobicContact CD1-CD2 4.1Å; F787-F818 HydrophobicContact CD1-CG 4.2Å; F787-F818 HydrophobicContact CE1-CB 4.46Å; F787-F818 AromaticContact CE1-CD2 3.93Å; F787-F818 HydrophobicContact CE1-CD2 3.93Å; F787-F818 HydrophobicContact CE1-CE2 4.48Å; F787-F818 HydrophobicContact CE1-CG 4.25Å; F787-I820 HydrophobicContact CD1-CD1 4.13Å; F787-L983 HydrophobicContact CB-CD1 4.42Å; F787-L983 HydrophobicContact CB-CD2 4.37Å; F787-L983 HydrophobicContact CB-CG 4.42Å; F787-L983 HydrophobicContact CD1-CD1 3.8Å; F787-L983 HydrophobicContact CD1-CD2 4.49Å; F787-L983 HydrophobicContact CD1-CG 3.71Å; F787-L983 HydrophobicContact CD2-CD2 3.91Å; F787-L983 HydrophobicContact CD2-CG 3.86Å; F787-L983 HydrophobicContact CE1-CB 4.47Å; F787-L983 HydrophobicContact CE1-CD1 4.19Å; F787-L983 HydrophobicContact CE1-CG 3.8Å; F787-L983 HydrophobicContact CE2-CD2 4.28Å; F787-L983 HydrophobicContact CE2-CG 3.94Å; F787-L983 HydrophobicContact CG-CD1 4.07Å; F787-L983 HydrophobicContact CG-CD2 4.02Å; F787-L983 HydrophobicContact CG-CG 3.73Å; F787-L983 HydrophobicContact CZ-CB 4.35Å; F787-L983 HydrophobicContact CZ-CG 3.91Å; F787-E986 HydrophobicContact CE1-CB 3.94Å; F787-E986 HydrophobicContact CE1-CG 4.31Å; F787-E986 HydrophobicContact CZ-CB 4.02Å; F787-I987 HydrophobicContact CE2-CD1 4.23Å; F787-I987 HydrophobicContact CE2-CG1 4.19Å; F787-I987 HydrophobicContact CZ-CG1 4.14Å
788	A	97.6	Very high	93.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116	176	0	0	0	0	0	109.2	F786 I793 F818 I820	F786-A788 HydrophobicContact CE2-CB 4.13Å; F786-A788 HydrophobicContact CZ-CB 3.95Å; A788-I793 HydrophobicContact CB-CD1 4.15Å; A788-F818 PolarHBondContact N-O 3.35Å; A788-I820 PolarHBondContact O-N 2.83Å
789	L	95.5	Very high	93.2	Very high	3 Å²	3	25 Å²	25	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.8	-175.1	-48.3	-178.8	0	0	0	110.1	G581 H582 S583 S586 S791 I820 Y973 T979	G581-L789 VanDerWaalsContact O-CB 3.31Å; G581-L789 WeakPolarHBondContact O-CB 3.22Å; G581-L789 WeakPolarHBondContact O-CG 3.37Å; G581-L789 PolarHBondContact O-N 2.97Å; H582-L789 CarbonylContact C-O 3.59Å; H582-L789 WeakPolarHBondContact CA-O 3.27Å; H582-L789 HydrophobicContact CB-CB 4.47Å; S583-L789 PolarHBondContact N-O 2.89Å; S586-L789 PolarHBondContact OG-N 3.07Å; L789-S791 VanDerWaalsContact C-N 3.34Å; L789-S791 PolarHBondContact O-N 2.85Å; L789-I820 WeakPolarHBondContact CA-O 3.27Å; L789-I820 HydrophobicContact CD2-CB 3.8Å; L789-I820 HydrophobicContact CD2-CD1 3.85Å; L789-I820 HydrophobicContact CD2-CG1 4.41Å; L789-I820 HydrophobicContact CD2-CG2 4.09Å; L789-Y973 HydrophobicContact CB-CD1 4.39Å; L789-Y973 HydrophobicContact CB-CG 4.23Å; L789-T979 HydrophobicContact CD2-CG2 4.14Å
790	G	92.1	Very high	92.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	59.3	42.8	178.5	0	0	0	0	0	113.3	I820 D825 Y973	G790-I820 PolarHBondContact N-O 3.06Å; G790-D825 WeakPolarHBondContact CA-OD2 3.39Å; G790-Y973 WeakPolarHBondContact CA-OH 3.26Å
791	S	93	Very high	92.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.			trans	-89.9	130.9	-155.6	177	0	0	0	0	115.3	S586 L789 I793 N819 V827 A828 Y829	S586-S791 WeakPolarHBondContact CB-OG 3.33Å; L789-S791 VanDerWaalsContact C-N 3.34Å; L789-S791 PolarHBondContact O-N 2.85Å; S791-I793 WeakPolarHBondContact OG-CD1 3.42Å; S791-I793 WeakPolarHBondContact OG-CG1 3.45Å; S791-I793 PolarHBondContact OG-N 2.67Å; S791-N819 WeakPolarHBondContact CB-OD1 3.41Å; S791-V827 CarbonylContact C-O 3.58Å; S791-A828 WeakPolarHBondContact O-CA 3.3Å; S791-Y829 PolarHBondContact O-N 3.45Å
792	P	92.5	Very high	92	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.			trans	-87.3	6.5	175.3	35.5	-35.7	0	0	0	114.8	I539 S583 A794 M795 F796 V827	I539-P792 HydrophobicContact CD1-CB 4.29Å; I539-P792 HydrophobicContact CD1-CG 4.47Å; S583-P792 VanDerWaalsContact O-CD 3.32Å; S583-P792 WeakPolarHBondContact O-CD 3.34Å; P792-A794 PolarHBondContact O-N 3.19Å; P792-M795 HydrophobicContact CB-CE 4.22Å; P792-M795 WeakPolarHBondContact O-CB 3.45Å; P792-M795 PolarHBondContact O-N 3.26Å; P792-M795 VanDerWaalsContact O-N 3.13Å; P792-F796 HydrophobicContact CB-CD2 4.09Å; P792-F796 HydrophobicContact CB-CE2 4.2Å; P792-F796 HydrophobicContact CG-CD2 4.44Å; P792-F796 HydrophobicContact CG-CE2 4.37Å; P792-F796 PolarHBondContact O-N 3.14Å; P792-V827 WeakPolarHBondContact CA-O 3.44Å; P792-V827 HydrophobicContact CB-CG1 4.04Å; P792-V827 HydrophobicContact CG-CG1 4.29Å
793	I	93.7	Very high	91.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-49.7	-51.5	-170.6	-69.7	161.7	0	0	0	112.8	L587 F590 F786 A788 S791 M795 F796 L797 F817 L831	L587-I793 HydrophobicContact CB-CG1 4.37Å; L587-I793 HydrophobicContact CD1-CG1 4.35Å; F590-I793 HydrophobicContact CB-CD1 3.7Å; F590-I793 HydrophobicContact CB-CG1 3.97Å; F590-I793 HydrophobicContact CD1-CG2 4.11Å; F590-I793 HydrophobicContact CD2-CD1 3.97Å; F590-I793 HydrophobicContact CD2-CG2 4.1Å; F590-I793 HydrophobicContact CE1-CG2 4.36Å; F590-I793 HydrophobicContact CE2-CG2 4.34Å; F590-I793 HydrophobicContact CG-CD1 4.01Å; F590-I793 HydrophobicContact CG-CG1 4.27Å; F590-I793 HydrophobicContact CG-CG2 3.98Å; F590-I793 HydrophobicContact CZ-CG2 4.47Å; F786-I793 HydrophobicContact CE1-CD1 4.34Å; F786-I793 HydrophobicContact CZ-CD1 4.35Å; A788-I793 HydrophobicContact CB-CD1 4.15Å; S791-I793 WeakPolarHBondContact OG-CD1 3.42Å; S791-I793 WeakPolarHBondContact OG-CG1 3.45Å; S791-I793 PolarHBondContact OG-N 2.67Å; I793-M795 VanDerWaalsContact C-N 3.33Å; I793-M795 PolarHBondContact O-N 3.38Å; I793-F796 PolarHBondContact O-N 3.11Å; I793-F796 VanDerWaalsContact O-N 3.13Å; I793-L797 HydrophobicContact CG2-CD1 3.7Å; I793-L797 HydrophobicContact CG2-CG 4.09Å; I793-L797 WeakPolarHBondContact O-CG 3.14Å; I793-L797 PolarHBondContact O-N 3.11Å; I793-F817 HydrophobicContact CD1-CE2 4.48Å; I793-F817 HydrophobicContact CD1-CZ 4.24Å; I793-L831 HydrophobicContact CB-CD1 4.27Å; I793-L831 HydrophobicContact CG2-CD1 4.43Å; I793-L831 HydrophobicContact CG2-CD2 3.97Å
794	A	92.4	Very high	91	Very high	6 Å²	6	33.2 Å²	33.2	5%	0.05	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-37.3	-176.1	0	0	0	0	0	113.3	P792 T798 R830 L831 M834	P792-A794 PolarHBondContact O-N 3.19Å; A794-T798 WeakPolarHBondContact O-CB 3.48Å; A794-T798 PolarHBondContact O-N 2.96Å; A794-T798 PolarHBondContact O-OG1 3.37Å; A794-R830 WeakPolarHBondContact CB-O 3.38Å; A794-L831 HydrophobicContact CB-CD1 4.08Å; A794-L831 HydrophobicContact CB-CG 4.13Å; A794-M834 VanDerWaalsContact CA-SD 3.58Å; A794-M834 HydrophobicContact CB-CG 4.46Å; A794-M834 HydrophobicContact CB-SD 3.54Å; A794-M834 VanDerWaalsContact CB-SD 3.54Å
795	M	90.4	Very high	90.8	Very high	42 Å²	42	30.6 Å²	30.6	21%	0.207	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-45.1	174.1	-179.2	-173.2	67	0	0	110.9	I539 P792 I793 T798 I799 Y829	I539-M795 HydrophobicContact CD1-CE 4.34Å; P792-M795 HydrophobicContact CB-CE 4.22Å; P792-M795 WeakPolarHBondContact O-CB 3.45Å; P792-M795 PolarHBondContact O-N 3.26Å; P792-M795 VanDerWaalsContact O-N 3.13Å; I793-M795 VanDerWaalsContact C-N 3.33Å; I793-M795 PolarHBondContact O-N 3.38Å; M795-T798 WeakPolarHBondContact O-CB 3.2Å; M795-T798 PolarHBondContact O-N 3.15Å; M795-I799 HydrophobicContact CG-CD1 3.78Å; M795-I799 VanDerWaalsContact O-CG1 3.3Å; M795-I799 WeakPolarHBondContact O-CG1 3.38Å; M795-I799 PolarHBondContact O-N 2.89Å; M795-I799 HydrophobicContact SD-CD1 4.39Å; M795-Y829 HydrophobicContact CB-CD1 4.14Å; M795-Y829 HydrophobicContact CB-CD2 3.73Å; M795-Y829 HydrophobicContact CB-CE1 4.24Å; M795-Y829 HydrophobicContact CB-CE2 3.85Å; M795-Y829 HydrophobicContact CB-CG 3.89Å; M795-Y829 HydrophobicContact CE-CE2 4.39Å; M795-Y829 HydrophobicContact CG-CE2 4.26Å; M795-Y829 HydrophobicContact SD-CE2 3.71Å
796	F	88.9	Confident	90.3	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-41.1	179.4	-91.2	-97.3	0	0	0	113.4	I539 N543 L587 P792 I793 T798 I799 R800	I539-F796 HydrophobicContact CB-CE2 4.21Å; I539-F796 HydrophobicContact CB-CZ 3.99Å; I539-F796 HydrophobicContact CD1-CE2 4.26Å; I539-F796 HydrophobicContact CG1-CE2 3.84Å; I539-F796 HydrophobicContact CG1-CZ 4.04Å; I539-F796 HydrophobicContact CG2-CE2 3.79Å; I539-F796 HydrophobicContact CG2-CZ 3.61Å; I539-F796 WeakPolarHBondContact O-CZ 3.44Å; N543-F796 HydrophobicContact CB-CE1 4.41Å; L587-F796 HydrophobicContact CD1-CB 3.85Å; L587-F796 HydrophobicContact CD1-CG 4.22Å; L587-F796 HydrophobicContact CD2-CB 3.92Å; L587-F796 HydrophobicContact CD2-CD1 3.39Å; L587-F796 HydrophobicContact CD2-CD2 3.56Å; L587-F796 HydrophobicContact CD2-CE1 3.55Å; L587-F796 HydrophobicContact CD2-CE2 3.72Å; L587-F796 HydrophobicContact CD2-CG 3.34Å; L587-F796 HydrophobicContact CD2-CZ 3.67Å; L587-F796 HydrophobicContact CG-CG 4.42Å; P792-F796 HydrophobicContact CB-CD2 4.09Å; P792-F796 HydrophobicContact CB-CE2 4.2Å; P792-F796 HydrophobicContact CG-CD2 4.44Å; P792-F796 HydrophobicContact CG-CE2 4.37Å; P792-F796 PolarHBondContact O-N 3.14Å; I793-F796 PolarHBondContact O-N 3.11Å; I793-F796 VanDerWaalsContact O-N 3.13Å; F796-T798 VanDerWaalsContact C-N 3.29Å; F796-T798 PolarHBondContact O-N 3.25Å; F796-I799 PolarHBondContact O-N 2.93Å; F796-R800 WeakPolarHBondContact O-CB 3.3Å; F796-R800 WeakPolarHBondContact O-CD 3.21Å; F796-R800 VanDerWaalsContact O-CG 3.23Å; F796-R800 WeakPolarHBondContact O-CG 3.21Å; F796-R800 PolarHBondContact O-N 2.97Å
797	L	89.6	Confident	89.8	Confident	15 Å²	15	40.2 Å²	40.2	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-58.1	-45.2	173.7	-69.8	177.8	0	0	0	110.4	F590 I793 R800 G801 V802 I805 M834	F590-L797 HydrophobicContact CE1-CD1 4.15Å; F590-L797 HydrophobicContact CE1-CD2 4.05Å; F590-L797 HydrophobicContact CZ-CD1 4.23Å; I793-L797 HydrophobicContact CG2-CD1 3.7Å; I793-L797 HydrophobicContact CG2-CG 4.09Å; I793-L797 WeakPolarHBondContact O-CG 3.14Å; I793-L797 PolarHBondContact O-N 3.11Å; L797-R800 PolarHBondContact O-N 2.87Å; L797-G801 PolarHBondContact O-N 3.23Å; L797-V802 HydrophobicContact CB-CB 4.13Å; L797-V802 HydrophobicContact CD2-CG2 4.44Å; L797-V802 VanDerWaalsContact O-CB 3.3Å; L797-V802 WeakPolarHBondContact O-CB 3.22Å; L797-V802 PolarHBondContact O-N 3.16Å; L797-I805 HydrophobicContact CD1-CD1 3.91Å; L797-M834 HydrophobicContact CB-CE 3.85Å; L797-M834 HydrophobicContact CB-SD 4.32Å
798	T	88.1	Confident	89.4	Confident	77 Å²	77	46.1 Å²	46.1	47%	0.472	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-46.6	175.2	-50.8	0	0	0	0	112.1	A794 M795 F796 R800 G801	A794-T798 WeakPolarHBondContact O-CB 3.48Å; A794-T798 PolarHBondContact O-N 2.96Å; A794-T798 PolarHBondContact O-OG1 3.37Å; M795-T798 WeakPolarHBondContact O-CB 3.2Å; M795-T798 PolarHBondContact O-N 3.15Å; F796-T798 VanDerWaalsContact C-N 3.29Å; F796-T798 PolarHBondContact O-N 3.25Å; T798-R800 VanDerWaalsContact C-N 3.28Å; T798-R800 PolarHBondContact O-N 2.89Å; T798-G801 PolarHBondContact O-N 3.42Å
799	I	86	Confident	89	Confident	78 Å²	78	49.2 Å²	49.2	40%	0.4	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-32.3	179.2	-70.5	166.9	0	0	0	112.5	A769 M795 F796 G801	A769-I799 HydrophobicContact CB-CG2 4.17Å; A769-I799 PolarHBondContact N-O 3.26Å; M795-I799 HydrophobicContact CG-CD1 3.78Å; M795-I799 VanDerWaalsContact O-CG1 3.3Å; M795-I799 WeakPolarHBondContact O-CG1 3.38Å; M795-I799 PolarHBondContact O-N 2.89Å; M795-I799 HydrophobicContact SD-CD1 4.39Å; F796-I799 PolarHBondContact O-N 2.93Å; I799-G801 PolarHBondContact O-N 3.42Å
800	R	85.8	Confident	88.8	Confident	37 Å²	37	51.9 Å²	51.9	14%	0.14	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-1.3	174.9	-69.3	167.5	177.1	177.7	-4.2	113.7	D591 F796 L797 T798	D591-R800 VanDerWaalsContact CG-NH1 3.32Å; D591-R800 IonicContact OD1-CZ 3.47Å; D591-R800 IonicContact OD1-NH1 2.7Å; D591-R800 PolarHBondContact OD1-NH1 3.41Å; D591-R800 IonicContact OD1-NH2 2.87Å; D591-R800 IonicContact OD2-CZ 2.97Å; D591-R800 IonicContact OD2-NH1 3.2Å; D591-R800 PolarHBondContact OD2-NH1 3.49Å; D591-R800 VanDerWaalsContact OD2-NH1 3.15Å; D591-R800 IonicContact OD2-NH2 3.38Å; D591-R800 PolarHBondContact OD2-NH2 3.29Å; F796-R800 WeakPolarHBondContact O-CB 3.3Å; F796-R800 WeakPolarHBondContact O-CD 3.21Å; F796-R800 VanDerWaalsContact O-CG 3.23Å; F796-R800 WeakPolarHBondContact O-CG 3.21Å; F796-R800 PolarHBondContact O-N 2.97Å; L797-R800 PolarHBondContact O-N 2.87Å; T798-R800 VanDerWaalsContact C-N 3.28Å; T798-R800 PolarHBondContact O-N 2.89Å
801	G	83.3	Confident	88.8	Confident	33 Å²	33	52.2 Å²	52.2	34%	0.34	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	18.6	178.6	0	0	0	0	0	115.3	L797 T798 I799 D803	L797-G801 PolarHBondContact O-N 3.23Å; T798-G801 PolarHBondContact O-N 3.42Å; I799-G801 PolarHBondContact O-N 3.42Å; G801-D803 PolarHBondContact O-N 3.34Å
802	V	85.6	Confident	88.6	Confident	50 Å²	50	54.9 Å²	54.9	30%	0.303	29%	0.292	S	S	.	.			trans	-92.6	90.7	176.2	-174.5	0	0	0	0	109.7	L797 R804 M834	L797-V802 HydrophobicContact CB-CB 4.13Å; L797-V802 HydrophobicContact CD2-CG2 4.44Å; L797-V802 VanDerWaalsContact O-CB 3.3Å; L797-V802 WeakPolarHBondContact O-CB 3.22Å; L797-V802 PolarHBondContact O-N 3.16Å; V802-R804 WeakPolarHBondContact CG1-O 3.39Å; V802-M834 WeakPolarHBondContact O-CE 3.49Å
803	D	81.3	Confident	88.4	Confident	139 Å²	139	55.4 Å²	55.4	74%	0.743	30%	0.295	S	S	*	.			trans	-71.3	-28.4	179.8	-69.3	-34.3	0	0	0	114	G801	G801-D803 PolarHBondContact O-N 3.34Å
804	R	87.9	Confident	88.3	Confident	132 Å²	132	55.6 Å²	55.6	50%	0.498	30%	0.296	S	S	.	.			trans	-145.3	149	177.1	-75.1	-169	-179.9	-142.4	0.1	110.7	V802 M834 P837 D838	V802-R804 WeakPolarHBondContact CG1-O 3.39Å; R804-M834 CarbonylContact C-O 3.59Å; R804-M834 VanDerWaalsContact CA-O 3.3Å; R804-M834 WeakPolarHBondContact CA-O 3.46Å; R804-P837 HydrophobicContact CG-CG 4.28Å; R804-D838 IonicContact CZ-OD2 3.15Å; R804-D838 VanDerWaalsContact CZ-OD2 3.28Å; R804-D838 IonicContact NH1-OD2 3.71Å; R804-D838 PolarHBondContact NH1-OD2 2.91Å; R804-D838 IonicContact NH2-OD1 2.73Å; R804-D838 PolarHBondContact NH2-OD1 2.93Å; R804-D838 IonicContact NH2-OD2 2.74Å; R804-D838 PolarHBondContact NH2-OD2 3.2Å
805	I	88.9	Confident	88.1	Confident	17 Å²	17	62.6 Å²	62.6	9%	0.087	33%	0.325	C	S	.	.			trans	-99.3	134.8	166.5	-59.7	171.6	0	0	0	107.4	L797 Y809 M834 I835	L797-I805 HydrophobicContact CD1-CD1 3.91Å; I805-Y809 HydrophobicContact CG2-CD1 3.96Å; I805-Y809 HydrophobicContact CG2-CG 4.19Å; I805-M834 HydrophobicContact CD1-CB 4.02Å; I805-M834 HydrophobicContact CG1-CB 4.16Å; I805-M834 PolarHBondContact N-O 2.91Å; I805-I835 HydrophobicContact CB-CG1 3.91Å; I805-I835 HydrophobicContact CD1-CG1 4.2Å; I805-I835 HydrophobicContact CG2-CG1 4.11Å
806	D	86.9	Confident	88.2	Confident	103 Å²	103	60.7 Å²	60.7	55%	0.551	32%	0.316	S	S	*	.			trans	-67.5	136.7	179.5	-167.9	-72.3	0	0	0	111.3	N808 Y809	D806-N808 PolarHBondContact O-N 2.81Å; D806-N808 VanDerWaalsContact O-N 3.08Å; D806-N808 WeakPolarHBondContact OD1-CA 3.37Å; D806-N808 VanDerWaalsContact OD1-CB 3.26Å; D806-N808 WeakPolarHBondContact OD1-CB 3.45Å; D806-N808 PolarHBondContact OD1-N 2.87Å; D806-N808 PolarHBondContact OD1-ND2 3.44Å; D806-Y809 WeakPolarHBondContact O-CB 3.31Å; D806-Y809 PolarHBondContact O-N 3.23Å
807	E	88	Confident	88.6	Confident	106 Å²	106	60.4 Å²	60.4	50%	0.495	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.7	178.6	-69.2	179	-156.3	0	0	113.4	I835 G940 M941	E807-I835 HydrophobicContact CG-CG2 4.33Å; E807-G940 CarbonylContact O-C 3.52Å; E807-G940 VanDerWaalsContact O-CA 3.3Å; E807-G940 WeakPolarHBondContact O-CA 3.46Å; E807-M941 PolarHBondContact O-N 3.43Å
808	N	89.1	Confident	88.9	Confident	124 Å²	124	59.7 Å²	59.7	66%	0.663	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-4.7	178.3	-51.8	-88.4	0	0	0	112.9	D806	D806-N808 PolarHBondContact O-N 2.81Å; D806-N808 VanDerWaalsContact O-N 3.08Å; D806-N808 WeakPolarHBondContact OD1-CA 3.37Å; D806-N808 VanDerWaalsContact OD1-CB 3.26Å; D806-N808 WeakPolarHBondContact OD1-CB 3.45Å; D806-N808 PolarHBondContact OD1-N 2.87Å; D806-N808 PolarHBondContact OD1-ND2 3.44Å
809	Y	89.8	Confident	89.4	Confident	66 Å²	66	56 Å²	56	26%	0.259	29%	0.289	S	S	.	.			trans	-66.9	136.8	179	-178.2	-99.4	0	0	0	111.7	F590 S594 I805 D806 L811 M941 L942	F590-Y809 HydrophobicContact CZ-CE1 4.45Å; S594-Y809 PolarHBondContact OG-OH 3.46Å; I805-Y809 HydrophobicContact CG2-CD1 3.96Å; I805-Y809 HydrophobicContact CG2-CG 4.19Å; D806-Y809 WeakPolarHBondContact O-CB 3.31Å; D806-Y809 PolarHBondContact O-N 3.23Å; Y809-L811 HydrophobicContact CE1-CD2 4.39Å; Y809-M941 CarbonylContact O-C 3.56Å; Y809-M941 VanDerWaalsContact O-C 3.26Å; Y809-L942 HydrophobicContact CD1-CD1 4.17Å; Y809-L942 HydrophobicContact CE1-CD1 4.07Å; Y809-L942 WeakPolarHBondContact O-CA 3.5Å; Y809-L942 PolarHBondContact O-N 3.01Å
810	S	91.1	Very high	89.9	Confident	59 Å²	59	52.3 Å²	52.3	41%	0.413	27%	0.27	S	S	.	.			trans	-147.5	147.2	173.2	59	0	0	0	0	109.7
811	L	92.1	Very high	90.4	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	27%	0.268	C	S	.	.			trans	-64	131	176.4	-66.4	170	0	0	0	110.1	F590 L593 F786 Y809 T813 C814 F817 L942	F590-L811 HydrophobicContact CE2-CD2 4.28Å; L593-L811 HydrophobicContact CB-CD1 4.23Å; L593-L811 HydrophobicContact CB-CD2 4.04Å; L593-L811 HydrophobicContact CD1-CD1 4.12Å; F786-L811 HydrophobicContact CD1-CD1 4.24Å; Y809-L811 HydrophobicContact CE1-CD2 4.39Å; L811-T813 VanDerWaalsContact C-N 3.27Å; L811-T813 PolarHBondContact O-N 2.65Å; L811-T813 VanDerWaalsContact O-N 3.09Å; L811-C814 HydrophobicContact CB-CB 3.93Å; L811-C814 HydrophobicContact CD1-CB 4.12Å; L811-C814 PolarHBondContact O-N 3.35Å; L811-F817 HydrophobicContact CD1-CD2 4.03Å; L811-L942 HydrophobicContact CD1-CD1 4.23Å; L811-L942 HydrophobicContact CG-CD1 3.83Å
812	P	89.3	Confident	90.8	Very high	57 Å²	57	50.5 Å²	50.5	37%	0.37	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-36	-171.6	-31.1	34.4	0	0	0	116	L593 Q596	L593-P812 WeakPolarHBondContact O-CD 3.42Å; Q596-P812 HydrophobicContact CB-CB 4.37Å; Q596-P812 WeakPolarHBondContact O-CB 3.37Å; Q596-P812 WeakPolarHBondContact O-CG 3.27Å
813	T	88	Confident	91	Very high	10 Å²	10	50.7 Å²	50.7	6%	0.061	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	0.8	-177.2	54.5	0	0	0	0	114	Q596 E782 P783 L811	Q596-T813 HydrophobicContact CB-CG2 3.82Å; E782-T813 HydrophobicContact CG-CG2 4.07Å; P783-T813 VanDerWaalsContact O-O 3.14Å; L811-T813 VanDerWaalsContact C-N 3.27Å; L811-T813 PolarHBondContact O-N 2.65Å; L811-T813 VanDerWaalsContact O-N 3.09Å
814	C	91.6	Very high	91.3	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.027	23%	0.227	C	C	.	.			trans	-129	129.7	-171.5	-171.8	0	0	0	0	112.6	L593 P783 F786 L811 G816	L593-C814 HydrophobicContact CD1-CB 4.43Å; P783-C814 VanDerWaalsContact O-CA 3.26Å; P783-C814 WeakPolarHBondContact O-CA 3.32Å; P783-C814 WeakPolarHBondContact O-CB 3.17Å; P783-C814 PolarHBondContact O-SG 3.14Å; P783-C814 VanDerWaalsContact O-SG 3.38Å; F786-C814 PolarHBondContact N-SG 2.89Å; F786-C814 VanDerWaalsContact N-SG 3.44Å; L811-C814 HydrophobicContact CB-CB 3.93Å; L811-C814 HydrophobicContact CD1-CB 4.12Å; L811-C814 PolarHBondContact O-N 3.35Å; C814-G816 PolarHBondContact SG-O 3.47Å; C814-G816 VanDerWaalsContact SG-O 3.36Å
815	K	88.1	Confident	91.3	Very high	153 Å²	153	39.6 Å²	39.6	67%	0.665	21%	0.206	S	C	*	.			trans	-107.8	-25.3	-166.4	-65.7	163.2	-173.5	136.4	0	113.5	E784	E784-K815 PolarHBondContact O-N 2.69Å
816	G	93	Very high	91.2	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132	172.5	0	0	0	0	0	111.2	E784 I785 F786 C814 N943	E784-G816 PolarHBondContact O-N 2.99Å; I785-G816 CarbonylContact C-O 3.52Å; I785-G816 WeakPolarHBondContact CA-O 3.21Å; F786-G816 PolarHBondContact N-O 3.21Å; C814-G816 PolarHBondContact SG-O 3.47Å; C814-G816 VanDerWaalsContact SG-O 3.36Å; G816-N943 WeakPolarHBondContact CA-OD1 3.27Å
817	F	96.5	Very high	91.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	123.3	175.2	-178.5	-88.2	0	0	0	110.4	F590 F786 I793 L811 N819 L831 L942 N943 I948	F590-F817 AromaticContact CD2-CE2 3.93Å; F590-F817 HydrophobicContact CD2-CE2 3.93Å; F590-F817 HydrophobicContact CD2-CZ 4.41Å; F590-F817 HydrophobicContact CE2-CE2 4.28Å; F786-F817 HydrophobicContact CB-CD2 4.38Å; F786-F817 AromaticContact CD1-CD2 3.61Å; F786-F817 HydrophobicContact CD1-CD2 3.61Å; F786-F817 AromaticContact CD1-CE2 3.51Å; F786-F817 HydrophobicContact CD1-CE2 3.51Å; F786-F817 HydrophobicContact CE1-CD2 4.19Å; F786-F817 AromaticContact CE1-CE2 3.6Å; F786-F817 HydrophobicContact CE1-CE2 3.6Å; F786-F817 HydrophobicContact CG-CD2 4.27Å; F786-F817 HydrophobicContact CG-CE2 4.4Å; F786-F817 WeakPolarHBondContact O-CA 3.25Å; I793-F817 HydrophobicContact CD1-CE2 4.48Å; I793-F817 HydrophobicContact CD1-CZ 4.24Å; L811-F817 HydrophobicContact CD1-CD2 4.03Å; F817-N819 HydrophobicContact CE1-CB 4.22Å; F817-L831 HydrophobicContact CE1-CD2 3.77Å; F817-L831 HydrophobicContact CZ-CD2 3.78Å; F817-L942 HydrophobicContact CB-CD1 4.29Å; F817-L942 HydrophobicContact CB-CG 4.08Å; F817-L942 VanDerWaalsContact CB-O 3.3Å; F817-L942 WeakPolarHBondContact CB-O 3.02Å; F817-L942 HydrophobicContact CD1-CD2 3.98Å; F817-L942 HydrophobicContact CD1-CG 4Å; F817-L942 HydrophobicContact CD2-CD1 4.46Å; F817-L942 HydrophobicContact CE1-CD2 4.24Å; F817-L942 HydrophobicContact CG-CD1 4.2Å; F817-L942 HydrophobicContact CG-CD2 4.33Å; F817-L942 HydrophobicContact CG-CG 3.96Å; F817-N943 HydrophobicContact CB-CB 4.42Å; F817-N943 PolarHBondContact N-OD1 3.43Å; F817-N943 VanDerWaalsContact N-OD1 3.09Å; F817-N943 WeakPolarHBondContact O-CB 3.48Å; F817-N943 PolarHBondContact O-ND2 3.22Å; F817-N943 VanDerWaalsContact O-ND2 3.08Å; F817-I948 HydrophobicContact CD1-CG1 4.33Å; F817-I948 HydrophobicContact CD1-CG2 3.65Å; F817-I948 HydrophobicContact CE1-CG2 3.62Å
818	F	97.3	Very high	91.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	117.1	-174.9	-62.9	-94.4	0	0	0	110.4	I785 F786 F787 A788 I820 Y950 E986	I785-F818 HydrophobicContact CG2-CD2 3.49Å; I785-F818 VanDerWaalsContact CG2-CD2 3.49Å; I785-F818 HydrophobicContact CG2-CE2 3.58Å; F786-F818 PolarHBondContact O-N 3.21Å; F787-F818 HydrophobicContact CD1-CB 3.93Å; F787-F818 HydrophobicContact CD1-CD2 4.1Å; F787-F818 HydrophobicContact CD1-CG 4.2Å; F787-F818 HydrophobicContact CE1-CB 4.46Å; F787-F818 AromaticContact CE1-CD2 3.93Å; F787-F818 HydrophobicContact CE1-CD2 3.93Å; F787-F818 HydrophobicContact CE1-CE2 4.48Å; F787-F818 HydrophobicContact CE1-CG 4.25Å; A788-F818 PolarHBondContact N-O 3.35Å; F818-I820 HydrophobicContact CB-CD1 4.36Å; F818-I820 HydrophobicContact CB-CG1 4.44Å; F818-Y950 HydrophobicContact CD1-CD2 4.04Å; F818-Y950 AromaticContact CD1-CE2 3.49Å; F818-Y950 HydrophobicContact CD1-CE2 3.49Å; F818-Y950 VanDerWaalsContact CD1-CE2 3.49Å; F818-Y950 AromaticContact CD1-CZ 3.95Å; F818-Y950 HydrophobicContact CE1-CE2 4.01Å; F818-E986 HydrophobicContact CD1-CG 4.28Å; F818-E986 HydrophobicContact CE1-CG 3.73Å; F818-E986 HydrophobicContact CE2-CB 4.38Å; F818-E986 HydrophobicContact CE2-CG 4.24Å; F818-E986 HydrophobicContact CZ-CB 4.21Å; F818-E986 HydrophobicContact CZ-CG 3.71Å; F818-E986 WeakPolarHBondContact CZ-OE2 3.17Å
819	N	97.1	Very high	91.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	106.1	174.9	-174.9	41.5	0	0	0	109.2	S791 F817 Y829 L831 I948 D949 Y950	S791-N819 WeakPolarHBondContact CB-OD1 3.41Å; F817-N819 HydrophobicContact CE1-CB 4.22Å; N819-Y829 PolarHBondContact ND2-O 3.31Å; N819-L831 HydrophobicContact CB-CD1 4.26Å; N819-L831 WeakPolarHBondContact ND2-CD1 3.36Å; N819-I948 HydrophobicContact CB-CG2 4.12Å; N819-I948 WeakPolarHBondContact CB-O 3.31Å; N819-I948 PolarHBondContact N-O 3.14Å; N819-D949 PolarHBondContact ND2-OD1 3.32Å; N819-Y950 PolarHBondContact O-N 3.3Å
820	I	97.2	Very high	91.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.7	-172	-63.4	161.4	0	0	0	109.3	F787 A788 L789 G790 F818 I846 Y950 T979 L982 L983	F787-I820 HydrophobicContact CD1-CD1 4.13Å; A788-I820 PolarHBondContact O-N 2.83Å; L789-I820 WeakPolarHBondContact CA-O 3.27Å; L789-I820 HydrophobicContact CD2-CB 3.8Å; L789-I820 HydrophobicContact CD2-CD1 3.85Å; L789-I820 HydrophobicContact CD2-CG1 4.41Å; L789-I820 HydrophobicContact CD2-CG2 4.09Å; G790-I820 PolarHBondContact N-O 3.06Å; F818-I820 HydrophobicContact CB-CD1 4.36Å; F818-I820 HydrophobicContact CB-CG1 4.44Å; I820-I846 HydrophobicContact CG2-CD1 3.88Å; I820-Y950 WeakPolarHBondContact CA-O 3.39Å; I820-T979 HydrophobicContact CG2-CG2 4.36Å; I820-L982 HydrophobicContact CD1-CD2 3.71Å; I820-L982 HydrophobicContact CD1-CG 4.44Å; I820-L982 HydrophobicContact CG1-CD2 3.88Å; I820-L983 HydrophobicContact CD1-CD1 3.73Å
821	Y	95.4	Very high	91.9	Very high	27 Å²	27	29.1 Å²	29.1	11%	0.106	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.2	-177.4	65.9	-83.4	0	0	0	114.5	A828 R830 A843 D949 Y950 V951 L952 Y973	Y821-A828 VanDerWaalsContact CB-CB 3.46Å; Y821-A828 HydrophobicContact CD2-CB 4.4Å; Y821-A828 HydrophobicContact CG-CB 4.15Å; Y821-R830 HydrophobicContact CE1-CG 4.1Å; Y821-R830 WeakPolarHBondContact OH-CD 3.42Å; Y821-R830 WeakPolarHBondContact OH-CG 3.41Å; Y821-A843 HydrophobicContact CE1-CB 4.32Å; Y821-A843 WeakPolarHBondContact OH-CB 3.48Å; Y821-D949 HydrophobicContact CE1-CB 4.17Å; Y821-Y950 WeakPolarHBondContact CD1-O 3.39Å; Y821-Y950 PolarHBondContact N-O 3.44Å; Y821-V951 HydrophobicContact CD2-CG2 4.18Å; Y821-V951 HydrophobicContact CE1-CB 4.34Å; Y821-V951 HydrophobicContact CE2-CB 4.07Å; Y821-V951 HydrophobicContact CE2-CG2 3.7Å; Y821-V951 WeakPolarHBondContact O-CA 3.42Å; Y821-L952 PolarHBondContact O-N 3.05Å; Y821-Y973 WeakPolarHBondContact CA-OH 3.12Å
822	H	91.9	Very high	92	Very high	5 Å²	5	29 Å²	29	2%	0.023	15%	0.147	C	C	.	.			trans	-89.1	138.4	165.9	-166.5	-89.3	0	0	0	109.8	L824 D825 L952 E958 S969 Y973	H822-L824 PolarHBondContact ND1-N 2.68Å; H822-L824 PolarHBondContact O-N 3Å; H822-L824 VanDerWaalsContact O-N 3.12Å; H822-D825 HydrophobicContact CB-CB 4.33Å; H822-D825 VanDerWaalsContact O-CB 3.24Å; H822-D825 WeakPolarHBondContact O-CB 3.41Å; H822-D825 PolarHBondContact O-N 3.18Å; H822-L952 HydrophobicContact CB-CD1 4.36Å; H822-E958 IonicContact CE1-OE2 2.81Å; H822-E958 IonicContact NE2-OE2 3.87Å; H822-S969 WeakPolarHBondContact ND1-CB 3.45Å; H822-Y973 PolarHBondContact N-OH 3.01Å
823	P	89.6	Confident	92.2	Very high	55 Å²	55	29 Å²	29	36%	0.357	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.2	-174.3	24.3	-34.9	0	0	0	114.8	V951 L952 E954	P823-V951 HydrophobicContact CB-CG2 4.08Å; P823-V951 HydrophobicContact CG-CG2 4.24Å; P823-L952 WeakPolarHBondContact CD-O 3.41Å; P823-E954 HydrophobicContact CG-CG 3.7Å; P823-E954 WeakPolarHBondContact CG-OE1 3.45Å
824	L	87.6	Confident	92.3	Very high	26 Å²	26	29.3 Å²	29.3	14%	0.136	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	0.8	175.3	-56.3	-179.2	0	0	0	114.1	H822 P826 E958 E962 F965 A966 S969	H822-L824 PolarHBondContact ND1-N 2.68Å; H822-L824 PolarHBondContact O-N 3Å; H822-L824 VanDerWaalsContact O-N 3.12Å; L824-P826 WeakPolarHBondContact O-CD 3.46Å; L824-E958 HydrophobicContact CD1-CB 4.2Å; L824-E962 HydrophobicContact CD2-CB 4.08Å; L824-E962 HydrophobicContact CD2-CG 3.93Å; L824-F965 HydrophobicContact CD1-CB 4.1Å; L824-A966 WeakPolarHBondContact O-CA 3.41Å; L824-A966 WeakPolarHBondContact O-CB 3.42Å; L824-S969 PolarHBondContact O-OG 3.46Å
825	D	89.2	Confident	92.2	Very high	11 Å²	11	29.3 Å²	29.3	6%	0.059	15%	0.148	C	C	.	.			trans	-71.5	114.7	-176.7	-176.8	-23.1	0	0	0	110.5	G790 H822 V827 A828 S969 H970 Y973	G790-D825 WeakPolarHBondContact CA-OD2 3.39Å; H822-D825 HydrophobicContact CB-CB 4.33Å; H822-D825 VanDerWaalsContact O-CB 3.24Å; H822-D825 WeakPolarHBondContact O-CB 3.41Å; H822-D825 PolarHBondContact O-N 3.18Å; D825-V827 PolarHBondContact O-N 2.88Å; D825-V827 VanDerWaalsContact O-N 3.16Å; D825-V827 PolarHBondContact OD1-N 3.37Å; D825-A828 HydrophobicContact CB-CB 3.79Å; D825-A828 PolarHBondContact O-N 2.81Å; D825-A828 PolarHBondContact OD1-N 3.01Å; D825-S969 WeakPolarHBondContact CA-OG 3.35Å; D825-S969 PolarHBondContact N-OG 3.06Å; D825-H970 VanDerWaalsContact CG-ND1 3.27Å; D825-H970 IonicContact OD1-CE1 2.76Å; D825-H970 IonicContact OD1-CG 2.82Å; D825-H970 IonicContact OD1-ND1 2.71Å; D825-H970 PolarHBondContact OD1-ND1 3.43Å; D825-H970 WeakPolarHBondContact OD2-CA 3.24Å; D825-H970 IonicContact OD2-CE1 3.74Å; D825-H970 IonicContact OD2-CG 3.83Å; D825-H970 IonicContact OD2-ND1 2.73Å; D825-H970 PolarHBondContact OD2-ND1 2.85Å; D825-Y973 WeakPolarHBondContact OD2-CE2 3.26Å; D825-Y973 PolarHBondContact OD2-OH 3.43Å
826	P	85.6	Confident	92.2	Very high	62 Å²	62	22.7 Å²	22.7	40%	0.403	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-2.3	-173.8	32.3	-35.9	0	0	0	114	F531 L824 A966	F531-P826 HydrophobicContact CE1-CG 3.87Å; F531-P826 HydrophobicContact CZ-CG 3.84Å; L824-P826 WeakPolarHBondContact O-CD 3.46Å; P826-A966 HydrophobicContact CG-CB 4.41Å
827	V	87.2	Confident	91.8	Very high	16 Å²	16	25.3 Å²	25.3	10%	0.097	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-10.6	-177.9	178.3	0	0	0	0	111.7	F531 T535 I539 S791 P792 D825 Y829	F531-V827 HydrophobicContact CZ-CG2 4.03Å; T535-V827 HydrophobicContact CG2-CG1 4.31Å; T535-V827 HydrophobicContact CG2-CG2 3.82Å; I539-V827 HydrophobicContact CD1-CG1 4.02Å; S791-V827 CarbonylContact C-O 3.58Å; P792-V827 WeakPolarHBondContact CA-O 3.44Å; P792-V827 HydrophobicContact CB-CG1 4.04Å; P792-V827 HydrophobicContact CG-CG1 4.29Å; D825-V827 PolarHBondContact O-N 2.88Å; D825-V827 VanDerWaalsContact O-N 3.16Å; D825-V827 PolarHBondContact OD1-N 3.37Å; V827-Y829 VanDerWaalsContact O-CD2 3.27Å; V827-Y829 WeakPolarHBondContact O-CD2 3.34Å
828	A	92.1	Very high	91.1	Very high	17 Å²	17	31 Å²	31	14%	0.14	17%	0.168	C	C	.	.			trans	-84.5	130.9	179.4	0	0	0	0	0	113	S791 Y821 D825	S791-A828 WeakPolarHBondContact O-CA 3.3Å; Y821-A828 VanDerWaalsContact CB-CB 3.46Å; Y821-A828 HydrophobicContact CD2-CB 4.4Å; Y821-A828 HydrophobicContact CG-CB 4.15Å; D825-A828 HydrophobicContact CB-CB 3.79Å; D825-A828 PolarHBondContact O-N 2.81Å; D825-A828 PolarHBondContact OD1-N 3.01Å
829	Y	93.7	Very high	90.4	Very high	99 Å²	99	35.1 Å²	35.1	39%	0.388	19%	0.19	S	C	.	.			trans	-127.5	148.3	176.7	-67.5	-97.4	0	0	0	111.8	S791 M795 N819 V827	S791-Y829 PolarHBondContact O-N 3.45Å; M795-Y829 HydrophobicContact CB-CD1 4.14Å; M795-Y829 HydrophobicContact CB-CD2 3.73Å; M795-Y829 HydrophobicContact CB-CE1 4.24Å; M795-Y829 HydrophobicContact CB-CE2 3.85Å; M795-Y829 HydrophobicContact CB-CG 3.89Å; M795-Y829 HydrophobicContact CE-CE2 4.39Å; M795-Y829 HydrophobicContact CG-CE2 4.26Å; M795-Y829 HydrophobicContact SD-CE2 3.71Å; N819-Y829 PolarHBondContact ND2-O 3.31Å; V827-Y829 VanDerWaalsContact O-CD2 3.27Å; V827-Y829 WeakPolarHBondContact O-CD2 3.34Å
830	R	94.7	Very high	89.6	Confident	62 Å²	62	41.9 Å²	41.9	23%	0.234	23%	0.225	C	C	.	.			trans	-80.6	138.5	-179.4	-73.8	-164.5	64.9	-163.9	-1.8	112.5	A794 Y821 E832 P833 L841 D949	A794-R830 WeakPolarHBondContact CB-O 3.38Å; Y821-R830 HydrophobicContact CE1-CG 4.1Å; Y821-R830 WeakPolarHBondContact OH-CD 3.42Å; Y821-R830 WeakPolarHBondContact OH-CG 3.41Å; R830-E832 IonicContact NH2-OE2 3.4Å; R830-E832 PolarHBondContact NH2-OE2 3Å; R830-P833 HydrophobicContact CB-CG 4.18Å; R830-L841 PolarHBondContact NH1-O 2.94Å; R830-L841 PolarHBondContact NH2-O 2.76Å; R830-D949 VanDerWaalsContact CB-OD2 3.3Å; R830-D949 WeakPolarHBondContact CB-OD2 3.31Å; R830-D949 IonicContact CZ-OD2 3.22Å; R830-D949 IonicContact NE-OD2 3.17Å; R830-D949 PolarHBondContact NE-OD2 3.02Å; R830-D949 IonicContact NH2-OD2 3.11Å; R830-D949 PolarHBondContact NH2-OD2 2.86Å; R830-D949 VanDerWaalsContact NH2-OD2 3.16Å
831	L	93.1	Very high	89	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-99.6	-29.2	177.6	-84.9	84.3	0	0	0	113.8	I793 A794 F817 N819 P833 M834 L942 I948 D949	I793-L831 HydrophobicContact CB-CD1 4.27Å; I793-L831 HydrophobicContact CG2-CD1 4.43Å; I793-L831 HydrophobicContact CG2-CD2 3.97Å; A794-L831 HydrophobicContact CB-CD1 4.08Å; A794-L831 HydrophobicContact CB-CG 4.13Å; F817-L831 HydrophobicContact CE1-CD2 3.77Å; F817-L831 HydrophobicContact CZ-CD2 3.78Å; N819-L831 HydrophobicContact CB-CD1 4.26Å; N819-L831 WeakPolarHBondContact ND2-CD1 3.36Å; L831-P833 VanDerWaalsContact C-CD 3.45Å; L831-P833 VanDerWaalsContact C-N 3.34Å; L831-M834 WeakPolarHBondContact O-CB 3.24Å; L831-M834 PolarHBondContact O-N 3.4Å; L831-L942 HydrophobicContact CD2-CD2 4.46Å; L831-I948 HydrophobicContact CB-CG2 4.11Å; L831-D949 PolarHBondContact N-OD1 3.26Å; L831-D949 PolarHBondContact N-OD2 3.36Å
832	E	93.9	Very high	88.6	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.009	25%	0.252	C	S	.	.	H	α-helix	trans	-58	-38.8	-176.7	-62.4	179.7	145.4	0	0	113.7	R830 M834 I835 V836 V939 R947 I948 D949	R830-E832 IonicContact NH2-OE2 3.4Å; R830-E832 PolarHBondContact NH2-OE2 3Å; E832-M834 PolarHBondContact O-N 2.94Å; E832-I835 PolarHBondContact O-N 3.49Å; E832-I835 VanDerWaalsContact O-N 3.07Å; E832-V836 PolarHBondContact O-N 3.17Å; E832-V939 HydrophobicContact CB-CG1 3.96Å; E832-V939 HydrophobicContact CG-CG1 3.74Å; E832-R947 WeakPolarHBondContact OE1-CA 3.48Å; E832-R947 IonicContact OE1-CZ 3.51Å; E832-R947 IonicContact OE1-NE 2.79Å; E832-R947 PolarHBondContact OE1-NE 3.03Å; E832-R947 IonicContact OE1-NH2 3.47Å; E832-R947 PolarHBondContact OE1-NH2 2.74Å; E832-R947 IonicContact OE2-CZ 3.57Å; E832-R947 IonicContact OE2-NE 2.71Å; E832-R947 IonicContact OE2-NH2 2.79Å; E832-R947 PolarHBondContact OE2-NH2 2.62Å; E832-I948 HydrophobicContact CG-CB 3.85Å; E832-I948 HydrophobicContact CG-CG2 4.41Å; E832-I948 PolarHBondContact OE1-N 3.42Å; E832-D949 WeakPolarHBondContact CB-OD2 3.04Å; E832-D949 HydrophobicContact CG-CB 3.99Å; E832-D949 WeakPolarHBondContact CG-OD2 3.33Å; E832-D949 PolarHBondContact N-OD2 3.41Å; E832-D949 VanDerWaalsContact N-OD2 3.08Å; E832-D949 PolarHBondContact OE1-N 3.13Å
833	P	92.4	Very high	88.4	Confident	58 Å²	58	48.5 Å²	48.5	38%	0.377	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-17.3	175	-22.6	35.4	0	0	0	114.6	R830 L831 P837	R830-P833 HydrophobicContact CB-CG 4.18Å; L831-P833 VanDerWaalsContact C-CD 3.45Å; L831-P833 VanDerWaalsContact C-N 3.34Å; P833-P837 VanDerWaalsContact O-CA 3.3Å; P833-P837 WeakPolarHBondContact O-CA 3.49Å; P833-P837 WeakPolarHBondContact O-CB 3.49Å; P833-P837 WeakPolarHBondContact O-CD 3.48Å
834	M	90.6	Very high	88.5	Confident	16 Å²	16	47.3 Å²	47.3	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-82.9	-23.2	174	-59.5	-170.4	77.7	0	0	112.6	A794 L797 V802 R804 I805 L831 E832	A794-M834 VanDerWaalsContact CA-SD 3.58Å; A794-M834 HydrophobicContact CB-CG 4.46Å; A794-M834 HydrophobicContact CB-SD 3.54Å; A794-M834 VanDerWaalsContact CB-SD 3.54Å; L797-M834 HydrophobicContact CB-CE 3.85Å; L797-M834 HydrophobicContact CB-SD 4.32Å; V802-M834 WeakPolarHBondContact O-CE 3.49Å; R804-M834 CarbonylContact C-O 3.59Å; R804-M834 VanDerWaalsContact CA-O 3.3Å; R804-M834 WeakPolarHBondContact CA-O 3.46Å; I805-M834 HydrophobicContact CD1-CB 4.02Å; I805-M834 HydrophobicContact CG1-CB 4.16Å; I805-M834 PolarHBondContact N-O 2.91Å; L831-M834 WeakPolarHBondContact O-CB 3.24Å; L831-M834 PolarHBondContact O-N 3.4Å; E832-M834 PolarHBondContact O-N 2.94Å
835	I	90.4	Very high	88.6	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-92.6	-48.2	-178.9	-46.9	161.7	0	0	0	109.9	I805 E807 E832 P837 V939 L942 I948	I805-I835 HydrophobicContact CB-CG1 3.91Å; I805-I835 HydrophobicContact CD1-CG1 4.2Å; I805-I835 HydrophobicContact CG2-CG1 4.11Å; E807-I835 HydrophobicContact CG-CG2 4.33Å; E832-I835 PolarHBondContact O-N 3.49Å; E832-I835 VanDerWaalsContact O-N 3.07Å; I835-P837 WeakPolarHBondContact O-CD 3.17Å; I835-V939 WeakPolarHBondContact CG2-O 3.5Å; I835-L942 HydrophobicContact CD1-CD2 4.25Å; I835-I948 HydrophobicContact CD1-CD1 3.44Å; I835-I948 VanDerWaalsContact CD1-CD1 3.44Å
836	V	88.5	Confident	88.6	Confident	15 Å²	15	48.5 Å²	48.5	9%	0.091	26%	0.257	C	S	.	.			trans	-125.4	63.2	-179.2	-162.3	0	0	0	0	111	E832 D838 L839 V939	E832-V836 PolarHBondContact O-N 3.17Å; V836-D838 PolarHBondContact O-N 2.86Å; V836-D838 VanDerWaalsContact O-N 3.11Å; V836-L839 HydrophobicContact CG1-CB 4.07Å; V836-L839 HydrophobicContact CG1-CD1 3.86Å; V836-L839 HydrophobicContact CG1-CG 3.85Å; V836-L839 PolarHBondContact O-N 3.46Å; V836-L839 VanDerWaalsContact O-N 3.11Å; V836-V939 HydrophobicContact CG2-CG1 4.32Å; V836-V939 WeakPolarHBondContact CG2-O 3.39Å
837	P	83.3	Confident	88.5	Confident	56 Å²	56	48.9 Å²	48.9	36%	0.364	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.4	179.5	24	-35	0	0	0	114	R804 P833 I835 L839	R804-P837 HydrophobicContact CG-CG 4.28Å; P833-P837 VanDerWaalsContact O-CA 3.3Å; P833-P837 WeakPolarHBondContact O-CA 3.49Å; P833-P837 WeakPolarHBondContact O-CB 3.49Å; P833-P837 WeakPolarHBondContact O-CD 3.48Å; I835-P837 WeakPolarHBondContact O-CD 3.17Å; P837-L839 PolarHBondContact O-N 3.04Å
838	D	82.6	Confident	88.3	Confident	119 Å²	119	50 Å²	50	64%	0.636	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.3	179.7	-54.7	-64.8	0	0	0	112.4	R804 V836	R804-D838 IonicContact CZ-OD2 3.15Å; R804-D838 VanDerWaalsContact CZ-OD2 3.28Å; R804-D838 IonicContact NH1-OD2 3.71Å; R804-D838 PolarHBondContact NH1-OD2 2.91Å; R804-D838 IonicContact NH2-OD1 2.73Å; R804-D838 PolarHBondContact NH2-OD1 2.93Å; R804-D838 IonicContact NH2-OD2 2.74Å; R804-D838 PolarHBondContact NH2-OD2 3.2Å; V836-D838 PolarHBondContact O-N 2.86Å; V836-D838 VanDerWaalsContact O-N 3.11Å
839	L	82.4	Confident	87.7	Confident	88 Å²	88	49.9 Å²	49.9	46%	0.461	26%	0.26	S	S	.	.	S	Bend	trans	-127.3	124.3	171.3	-63.7	-178.5	0	0	0	111.7	V836 P837 L841	V836-L839 HydrophobicContact CG1-CB 4.07Å; V836-L839 HydrophobicContact CG1-CD1 3.86Å; V836-L839 HydrophobicContact CG1-CG 3.85Å; V836-L839 PolarHBondContact O-N 3.46Å; V836-L839 VanDerWaalsContact O-N 3.11Å; P837-L839 PolarHBondContact O-N 3.04Å; L839-L841 HydrophobicContact CB-CD2 4.14Å; L839-L841 HydrophobicContact CB-CG 3.96Å; L839-L841 HydrophobicContact CD1-CD2 4.28Å; L839-L841 PolarHBondContact O-N 3.05Å
840	D	79.6	Confident	87	Confident	141 Å²	141	51.1 Å²	51.1	75%	0.754	27%	0.267	S	S	*	.			trans	-75.3	73.2	168.7	-178.2	29.1	0	0	0	111.2	K842	D840-K842 PolarHBondContact O-N 3.06Å
841	L	84.9	Confident	85.2	Confident	12 Å²	12	50.3 Å²	50.3	6%	0.063	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-73.9	121.7	173.7	-61	179.2	0	0	0	109.3	R830 L839 L936 V939	R830-L841 PolarHBondContact NH1-O 2.94Å; R830-L841 PolarHBondContact NH2-O 2.76Å; L839-L841 HydrophobicContact CB-CD2 4.14Å; L839-L841 HydrophobicContact CB-CG 3.96Å; L839-L841 HydrophobicContact CD1-CD2 4.28Å; L839-L841 PolarHBondContact O-N 3.05Å; L841-L936 HydrophobicContact CD2-CD2 3.61Å; L841-L936 HydrophobicContact CD2-CG 4.05Å; L841-V939 HydrophobicContact CD1-CB 4.46Å; L841-V939 HydrophobicContact CD1-CG1 3.94Å; L841-V939 HydrophobicContact CD1-CG2 3.71Å
842	K	86.9	Confident	83.6	Confident	140 Å²	140	56.6 Å²	56.6	61%	0.609	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-79.8	136.4	168.8	-66.8	179.1	-178.6	174.9	0	110.2	D840 R947	D840-K842 PolarHBondContact O-N 3.06Å; K842-R947 PolarHBondContact O-NH1 2.96Å; K842-R947 PolarHBondContact O-NH2 3.23Å
843	A	88.8	Confident	81.8	Confident	19 Å²	19	60.1 Å²	60.1	16%	0.157	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-58.2	151.6	-179.1	0	0	0	0	0	112.5	Y821 L845 D949 V951	Y821-A843 HydrophobicContact CE1-CB 4.32Å; Y821-A843 WeakPolarHBondContact OH-CB 3.48Å; A843-L845 PolarHBondContact O-N 2.92Å; A843-D949 HydrophobicContact CB-CB 3.8Å; A843-V951 HydrophobicContact CB-CB 4.21Å; A843-V951 HydrophobicContact CB-CG1 4.03Å
844	V	91.6	Very high	80.3	Confident	30 Å²	30	59.6 Å²	59.6	18%	0.182	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.6	-176.3	-177.2	0	0	0	0	110	I846 R947 D949 Y950 V951	V844-I846 PolarHBondContact O-N 3.13Å; V844-R947 HydrophobicContact CG2-CB 3.54Å; V844-R947 HydrophobicContact CG2-CG 3.64Å; V844-D949 PolarHBondContact N-O 3.47Å; V844-Y950 HydrophobicContact CB-CD1 3.68Å; V844-Y950 HydrophobicContact CB-CE1 3.82Å; V844-Y950 HydrophobicContact CB-CG 4.22Å; V844-Y950 HydrophobicContact CG1-CD1 3.75Å; V844-Y950 HydrophobicContact CG1-CE1 3.66Å; V844-Y950 HydrophobicContact CG2-CE1 4.27Å; V844-Y950 CarbonylContact O-C 3.57Å; V844-Y950 VanDerWaalsContact O-CA 3.31Å; V844-Y950 WeakPolarHBondContact O-CA 3.31Å; V844-V951 PolarHBondContact O-N 3.24Å
845	L	89.5	Confident	78.5	Confident	58 Å²	58	65.4 Å²	65.4	30%	0.304	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	117.3	177.1	-172.8	75.9	0	0	0	110.6	A843 P847 K853 L857 V951 Q953	A843-L845 PolarHBondContact O-N 2.92Å; L845-P847 WeakPolarHBondContact O-CD 3.4Å; L845-K853 HydrophobicContact CD2-CD 3.89Å; L845-K853 HydrophobicContact CD2-CG 4.15Å; L845-L857 HydrophobicContact CD1-CD2 4.11Å; L845-L857 HydrophobicContact CD2-CD2 3.61Å; L845-L857 HydrophobicContact CG-CD2 4.46Å; L845-V951 HydrophobicContact CD1-CG1 4.21Å; L845-Q953 HydrophobicContact CD1-CG 3.86Å; L845-Q953 HydrophobicContact CD2-CG 4.49Å; L845-Q953 HydrophobicContact CG-CG 4.18Å
846	I	88.8	Confident	76.7	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.021	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-65.8	122.4	176.5	-61.5	175	0	0	0	108.7	I820 V844 Y950 V951 L952 Q953 D978 L982	I820-I846 HydrophobicContact CG2-CD1 3.88Å; V844-I846 PolarHBondContact O-N 3.13Å; I846-Y950 HydrophobicContact CG1-CD1 4.45Å; I846-V951 WeakPolarHBondContact CG1-O 3.34Å; I846-V951 PolarHBondContact N-O 3.36Å; I846-L952 HydrophobicContact CB-CD2 4.42Å; I846-L952 HydrophobicContact CD1-CD2 3.68Å; I846-L952 HydrophobicContact CD1-CG 4.01Å; I846-L952 HydrophobicContact CG2-CD2 4.38Å; I846-Q953 PolarHBondContact O-NE2 2.88Å; I846-D978 HydrophobicContact CG2-CB 4.28Å; I846-L982 HydrophobicContact CD1-CD2 3.71Å; I846-L982 HydrophobicContact CG1-CD2 4Å
847	P	83.8	Confident	75.1	Confident	71 Å²	71	70.4 Å²	70.4	46%	0.461	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-64.8	142.5	175.7	-20.7	33.1	0	0	0	111.3	L845	L845-P847 WeakPolarHBondContact O-CD 3.4Å
848	H	83.3	Confident	73.8	Confident	39 Å²	39	70.8 Å²	70.8	18%	0.181	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-64	140.4	174.7	-175.6	-115.7	0	0	0	108.9	K850 G851 R852 R854 Q953 D978	H848-K850 PolarHBondContact O-N 3.47Å; H848-G851 PolarHBondContact O-N 3.28Å; H848-R852 VanDerWaalsContact CB-O 3.23Å; H848-R852 WeakPolarHBondContact CB-O 3.35Å; H848-R852 PolarHBondContact N-O 3.15Å; H848-R854 HydrophobicContact CB-CG 4.33Å; H848-R854 PolarHBondContact CD2-NE 2.9Å; H848-Q953 VanDerWaalsContact N-NE2 3.2Å; H848-D978 WeakPolarHBondContact CA-OD1 3.21Å; H848-D978 IonicContact CD2-OD1 3.74Å; H848-D978 PolarHBondContact CD2-OD1 3.15Å; H848-D978 VanDerWaalsContact CD2-OD1 3.27Å; H848-D978 IonicContact CD2-OD2 2.69Å; H848-D978 PolarHBondContact CD2-OD2 3.39Å; H848-D978 IonicContact CG-OD1 2.64Å
849	H	78.4	Confident	72.4	Confident	14 Å²	14	69 Å²	69	7%	0.065	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-39.3	-173.2	60.3	-81.2	0	0	0	112.9	L478 H482 G851 E977 D978 L981	L478-H849 HydrophobicContact CD2-CB 4.2Å; H482-H849 PolarHBondContact CE1-O 3.13Å; H482-H849 PolarHBondContact NE2-O 2.82Å; H849-G851 PolarHBondContact O-N 3.31Å; H849-E977 HydrophobicContact CB-CB 4.36Å; H849-E977 IonicContact CE1-OE2 2.7Å; H849-E977 PolarHBondContact CE1-OE2 2.81Å; H849-E977 IonicContact ND1-OE2 3.21Å; H849-E977 IonicContact NE2-OE2 2.72Å; H849-E977 PolarHBondContact NE2-OE2 2.88Å; H849-D978 IonicContact CE1-OD1 3.01Å; H849-D978 IonicContact CG-OD1 2.71Å; H849-D978 PolarHBondContact N-OD1 3.25Å; H849-D978 IonicContact ND1-OD1 3.14Å; H849-D978 PolarHBondContact ND1-OD1 3.5Å; H849-L981 HydrophobicContact CB-CD2 3.72Å
850	K	79.4	Confident	71.4	Confident	125 Å²	125	70.1 Å²	70.1	54%	0.543	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	17.2	174.6	-44.7	-165.5	-176.3	-172.7	0	115.5	H848	H848-K850 PolarHBondContact O-N 3.47Å
851	G	57.8	Low	70.5	Confident	45 Å²	45	66 Å²	66	46%	0.464	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	20.1	166.7	0	0	0	0	0	116.5	H848 H849	H848-G851 PolarHBondContact O-N 3.28Å; H849-G851 PolarHBondContact O-N 3.31Å
852	R	58.8	Low	69	Low	132 Å²	132	68 Å²	68	50%	0.498	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-140	-177.5	-177.7	-61	-166.2	-166.3	-157.9	4.3	111.8	H848 H1000	H848-R852 VanDerWaalsContact CB-O 3.23Å; H848-R852 WeakPolarHBondContact CB-O 3.35Å; H848-R852 PolarHBondContact N-O 3.15Å; R852-H1000 PolarHBondContact NE-NE2 2.76Å; R852-H1000 PolarHBondContact NH2-CD2 2.67Å; R852-H1000 PolarHBondContact NH2-CE1 3.39Å; R852-H1000 PolarHBondContact NH2-NE2 2.62Å
853	K	57.1	Low	67.4	Low	76 Å²	76	63.8 Å²	63.8	33%	0.33	33%	0.325	S	S	.	.			trans	-87.6	155.2	158.3	-62.6	179	-170.3	-178.5	0	107.9	L845 L857 E858 E861	L845-K853 HydrophobicContact CD2-CD 3.89Å; L845-K853 HydrophobicContact CD2-CG 4.15Å; K853-L857 HydrophobicContact CB-CD2 4.48Å; K853-L857 HydrophobicContact CD-CD2 4.42Å; K853-E858 HydrophobicContact CB-CG 3.63Å; K853-E858 PolarHBondContact N-OE1 3.13Å; K853-E858 VanDerWaalsContact N-OE1 3.11Å; K853-E861 IonicContact NZ-OE1 2.82Å; K853-E861 IonicContact NZ-OE2 3.71Å; K853-E861 PolarHBondContact NZ-OE2 3.04Å
854	R	59.9	Low	65.9	Low	47 Å²	47	66.7 Å²	66.7	18%	0.177	34%	0.344	C	S	.	.			trans	-63.2	140.7	175.6	-69.3	179.7	-173.4	165.5	10.2	108.5	H848 H856 L857 E858 Q953 E954 D978	H848-R854 HydrophobicContact CB-CG 4.33Å; H848-R854 PolarHBondContact CD2-NE 2.9Å; R854-H856 PolarHBondContact O-N 3.35Å; R854-L857 WeakPolarHBondContact O-CA 3.41Å; R854-L857 WeakPolarHBondContact O-CB 3.4Å; R854-L857 PolarHBondContact O-N 2.9Å; R854-E858 PolarHBondContact O-N 3.29Å; R854-Q953 HydrophobicContact CG-CB 4.43Å; R854-Q953 VanDerWaalsContact CZ-O 3.25Å; R854-Q953 PolarHBondContact NH1-O 3.02Å; R854-Q953 PolarHBondContact NH2-O 3.19Å; R854-E954 WeakPolarHBondContact CD-O 3.49Å; R854-E954 PolarHBondContact NH1-O 3.13Å; R854-D978 IonicContact CZ-OD2 3.85Å; R854-D978 IonicContact NE-OD2 3.59Å; R854-D978 IonicContact NH2-OD2 3.03Å; R854-D978 PolarHBondContact NH2-OD2 3.45Å
855	L	52.5	Low	64.3	Low	139 Å²	139	71.1 Å²	71.1	73%	0.728	36%	0.358	S	S	*	.	H	α-helix	trans	-54.6	-32.3	-169	-69.4	172.3	0	0	0	114.4	E858 L859	L855-E858 PolarHBondContact O-N 3.29Å; L855-L859 WeakPolarHBondContact O-CB 3.39Å; L855-L859 PolarHBondContact O-N 3.41Å
856	H	52.7	Low	62.5	Low	76 Å²	76	72.1 Å²	72.1	35%	0.352	36%	0.362	S	S	.	.	H	α-helix	trans	-66.8	-35.5	174.1	178.9	79.3	0	0	0	112.7	R854 L859 K860 P956	R854-H856 PolarHBondContact O-N 3.35Å; H856-L859 WeakPolarHBondContact O-CB 3.39Å; H856-L859 PolarHBondContact O-N 2.91Å; H856-K860 WeakPolarHBondContact O-CB 3.13Å; H856-K860 PolarHBondContact O-N 3.22Å; H856-P956 HydrophobicContact CB-CB 4.06Å; H856-P956 HydrophobicContact CB-CG 3.84Å
857	L	54.3	Low	61.2	Low	47 Å²	47	74.2 Å²	74.2	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-76	-34.4	176	-170.2	59.6	0	0	0	111.6	L845 K853 R854 L859 K860 E861 Q953	L845-L857 HydrophobicContact CD1-CD2 4.11Å; L845-L857 HydrophobicContact CD2-CD2 3.61Å; L845-L857 HydrophobicContact CG-CD2 4.46Å; K853-L857 HydrophobicContact CB-CD2 4.48Å; K853-L857 HydrophobicContact CD-CD2 4.42Å; R854-L857 WeakPolarHBondContact O-CA 3.41Å; R854-L857 WeakPolarHBondContact O-CB 3.4Å; R854-L857 PolarHBondContact O-N 2.9Å; L857-L859 VanDerWaalsContact C-N 3.3Å; L857-K860 HydrophobicContact CD1-CB 4.46Å; L857-K860 HydrophobicContact CD1-CD 4.31Å; L857-K860 PolarHBondContact O-N 2.88Å; L857-E861 WeakPolarHBondContact O-CB 3.41Å; L857-E861 PolarHBondContact O-N 3.11Å; L857-Q953 HydrophobicContact CD2-CG 4.1Å
858	E	56.5	Low	59.9	Low	65 Å²	65	74.2 Å²	74.2	30%	0.304	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-35.2	167.7	-62.4	-171.6	161.5	0	0	111.4	K853 R854 L855 S862	K853-E858 HydrophobicContact CB-CG 3.63Å; K853-E858 PolarHBondContact N-OE1 3.13Å; K853-E858 VanDerWaalsContact N-OE1 3.11Å; R854-E858 PolarHBondContact O-N 3.29Å; L855-E858 PolarHBondContact O-N 3.29Å; E858-S862 VanDerWaalsContact O-CB 3.26Å; E858-S862 WeakPolarHBondContact O-CB 3.48Å; E858-S862 PolarHBondContact O-N 2.9Å; E858-S862 PolarHBondContact O-OG 3.37Å
859	L	54.4	Low	58.4	Low	80 Å²	80	78.4 Å²	78.4	42%	0.419	41%	0.41	S	S	.	.	H	α-helix	trans	-67.8	-46.1	171.3	-161.1	81.3	0	0	0	111.6	L855 H856 L857 E861 S862 L863	L855-L859 WeakPolarHBondContact O-CB 3.39Å; L855-L859 PolarHBondContact O-N 3.41Å; H856-L859 WeakPolarHBondContact O-CB 3.39Å; H856-L859 PolarHBondContact O-N 2.91Å; L857-L859 VanDerWaalsContact C-N 3.3Å; L859-E861 VanDerWaalsContact C-N 3.33Å; L859-E861 PolarHBondContact O-N 2.87Å; L859-S862 WeakPolarHBondContact CA-OG 3.42Å; L859-S862 PolarHBondContact O-N 3.03Å; L859-S862 PolarHBondContact O-OG 2.89Å; L859-L863 HydrophobicContact CD2-CD1 4.27Å; L859-L863 HydrophobicContact CG-CD1 4.01Å; L859-L863 HydrophobicContact CG-CG 4.49Å; L859-L863 WeakPolarHBondContact O-CB 3.39Å; L859-L863 WeakPolarHBondContact O-CD1 3.41Å; L859-L863 WeakPolarHBondContact O-CG 3.42Å; L859-L863 PolarHBondContact O-N 3.28Å
860	K	60.2	Low	57.4	Low	112 Å²	112	82.7 Å²	82.7	49%	0.487	43%	0.433	S	S	.	.	H	α-helix	trans	-61.9	-39.1	178	-169	171.3	-178.6	173.9	0	111.5	H856 L857 S864	H856-K860 WeakPolarHBondContact O-CB 3.13Å; H856-K860 PolarHBondContact O-N 3.22Å; L857-K860 HydrophobicContact CD1-CB 4.46Å; L857-K860 HydrophobicContact CD1-CD 4.31Å; L857-K860 PolarHBondContact O-N 2.88Å; K860-S864 WeakPolarHBondContact O-CB 3.29Å; K860-S864 PolarHBondContact O-N 3.13Å; K860-S864 PolarHBondContact O-OG 2.96Å
861	E	60.3	Low	56	Low	54 Å²	54	80 Å²	80	25%	0.252	42%	0.421	S	S	.	.	H	α-helix	trans	-76.5	-39.6	176.3	-165.7	-176.5	161.2	0	0	112.9	K853 L857 L859 L863 S864 R865	K853-E861 IonicContact NZ-OE1 2.82Å; K853-E861 IonicContact NZ-OE2 3.71Å; K853-E861 PolarHBondContact NZ-OE2 3.04Å; L857-E861 WeakPolarHBondContact O-CB 3.41Å; L857-E861 PolarHBondContact O-N 3.11Å; L859-E861 VanDerWaalsContact C-N 3.33Å; L859-E861 PolarHBondContact O-N 2.87Å; E861-L863 VanDerWaalsContact C-N 3.34Å; E861-S864 WeakPolarHBondContact CA-OG 3.39Å; E861-S864 PolarHBondContact O-N 3.41Å; E861-S864 PolarHBondContact O-OG 3.47Å; E861-S864 VanDerWaalsContact O-OG 3.05Å; E861-R865 HydrophobicContact CG-CG 4.36Å; E861-R865 VanDerWaalsContact O-CB 3.24Å; E861-R865 WeakPolarHBondContact O-CB 3.39Å; E861-R865 WeakPolarHBondContact O-CG 3.3Å; E861-R865 PolarHBondContact O-N 3.44Å; E861-R865 IonicContact OE1-CZ 3.18Å; E861-R865 IonicContact OE1-NE 3.25Å; E861-R865 PolarHBondContact OE1-NE 2.91Å; E861-R865 IonicContact OE1-NH2 3.4Å
862	S	54.8	Low	55.9	Low	56 Å²	56	84.5 Å²	84.5	39%	0.392	43%	0.43	S	S	.	.	H	α-helix	trans	-69.4	-31.9	174.1	55.1	0	0	0	0	112.4	E858 L859 M866	E858-S862 VanDerWaalsContact O-CB 3.26Å; E858-S862 WeakPolarHBondContact O-CB 3.48Å; E858-S862 PolarHBondContact O-N 2.9Å; E858-S862 PolarHBondContact O-OG 3.37Å; L859-S862 WeakPolarHBondContact CA-OG 3.42Å; L859-S862 PolarHBondContact O-N 3.03Å; L859-S862 PolarHBondContact O-OG 2.89Å; S862-M866 WeakPolarHBondContact O-CB 3.49Å; S862-M866 PolarHBondContact O-N 3.18Å
863	L	53.1	Low	56.1	Low	51 Å²	51	80 Å²	80	27%	0.267	43%	0.425	S	S	.	.	H	α-helix	trans	-67.8	-42.9	168.8	-74.7	167.8	0	0	0	111.7	L859 E861 M866 K871	L859-L863 HydrophobicContact CD2-CD1 4.27Å; L859-L863 HydrophobicContact CG-CD1 4.01Å; L859-L863 HydrophobicContact CG-CG 4.49Å; L859-L863 WeakPolarHBondContact O-CB 3.39Å; L859-L863 WeakPolarHBondContact O-CD1 3.41Å; L859-L863 WeakPolarHBondContact O-CG 3.42Å; L859-L863 PolarHBondContact O-N 3.28Å; E861-L863 VanDerWaalsContact C-N 3.34Å; L863-M866 PolarHBondContact O-N 2.73Å; L863-K871 WeakPolarHBondContact O-CE 3.18Å
864	S	56.9	Low	55.7	Low	80 Å²	80	81.5 Å²	81.5	56%	0.559	43%	0.431	S	S	*	.	H	α-helix	trans	-68.3	-35.4	178.5	71.7	0	0	0	0	112.7	K860 E861 M866	K860-S864 WeakPolarHBondContact O-CB 3.29Å; K860-S864 PolarHBondContact O-N 3.13Å; K860-S864 PolarHBondContact O-OG 2.96Å; E861-S864 WeakPolarHBondContact CA-OG 3.39Å; E861-S864 PolarHBondContact O-N 3.41Å; E861-S864 PolarHBondContact O-OG 3.47Å; E861-S864 VanDerWaalsContact O-OG 3.05Å; S864-M866 VanDerWaalsContact C-N 3.3Å; S864-M866 PolarHBondContact O-N 2.85Å
865	R	57.5	Low	55.5	Low	122 Å²	122	84 Å²	84	46%	0.46	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-10.3	174.6	-71.4	172	164.6	-76.8	-0.2	114.7	E861 D928	E861-R865 HydrophobicContact CG-CG 4.36Å; E861-R865 VanDerWaalsContact O-CB 3.24Å; E861-R865 WeakPolarHBondContact O-CB 3.39Å; E861-R865 WeakPolarHBondContact O-CG 3.3Å; E861-R865 PolarHBondContact O-N 3.44Å; E861-R865 IonicContact OE1-CZ 3.18Å; E861-R865 IonicContact OE1-NE 3.25Å; E861-R865 PolarHBondContact OE1-NE 2.91Å; E861-R865 IonicContact OE1-NH2 3.4Å; R865-D928 IonicContact CZ-OD1 3.47Å; R865-D928 IonicContact NH1-OD1 3.27Å; R865-D928 PolarHBondContact NH1-OD1 3Å; R865-D928 IonicContact NH1-OD2 3.61Å; R865-D928 PolarHBondContact NH1-OD2 3.13Å; R865-D928 IonicContact NH2-OD1 2.69Å; R865-D928 PolarHBondContact NH2-OD1 3.12Å
866	M	53	Low	55.6	Low	79 Å²	79	80.7 Å²	80.7	39%	0.389	44%	0.435	S	S	.	.	S	Bend	trans	-112.3	144.4	-173.7	-169.9	157.9	56.7	0	0	112.2	S862 L863 S864 L870 K871	S862-M866 WeakPolarHBondContact O-CB 3.49Å; S862-M866 PolarHBondContact O-N 3.18Å; L863-M866 PolarHBondContact O-N 2.73Å; S864-M866 VanDerWaalsContact C-N 3.3Å; S864-M866 PolarHBondContact O-N 2.85Å; M866-L870 HydrophobicContact CE-CB 4.34Å; M866-L870 HydrophobicContact CE-CD2 3.69Å; M866-L870 HydrophobicContact CG-CB 4.1Å; M866-L870 HydrophobicContact CG-CD2 4.45Å; M866-L870 HydrophobicContact SD-CB 4.24Å; M866-L870 HydrophobicContact SD-CD2 3.5Å; M866-L870 VanDerWaalsContact SD-CD2 3.5Å; M866-L870 HydrophobicContact SD-CG 4.47Å; M866-K871 VanDerWaalsContact O-CE 3.31Å; M866-K871 WeakPolarHBondContact O-CE 3.26Å
867	G	60.9	Low	55.6	Low	48 Å²	48	80.8 Å²	80.8	50%	0.495	45%	0.445	S	S	.	.			trans	-63.9	160.3	-168.2	0	0	0	0	0	115.7	D869 L870 K871	G867-D869 PolarHBondContact O-N 2.99Å; G867-D869 VanDerWaalsContact O-N 3.07Å; G867-L870 PolarHBondContact O-N 3.31Å; G867-K871 PolarHBondContact O-N 3.15Å
868	S	55.8	Low	55.4	Low	72 Å²	72	83.5 Å²	83.5	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-40.5	-45	178	43.8	0	0	0	0	114.2	L870 K871 Q872	S868-L870 PolarHBondContact O-N 3.29Å; S868-K871 WeakPolarHBondContact O-CB 3.49Å; S868-K871 PolarHBondContact O-N 2.74Å; S868-Q872 PolarHBondContact O-N 2.73Å
869	D	51.9	Low	55.5	Low	127 Å²	127	84.6 Å²	84.6	68%	0.679	46%	0.463	S	S	*	.	H	α-helix	trans	-74.6	-33.3	-166.3	-57.8	14.3	0	0	0	111.1	G867 G873	G867-D869 PolarHBondContact O-N 2.99Å; G867-D869 VanDerWaalsContact O-N 3.07Å; D869-G873 PolarHBondContact O-N 3.45Å
870	L	56.8	Low	55.7	Low	104 Å²	104	83.8 Å²	83.8	55%	0.545	46%	0.464	S	S	.	.	H	α-helix	trans	-79.7	-29.3	171.4	-122.2	84.7	0	0	0	112.4	M866 G867 S868 G873 F874	M866-L870 HydrophobicContact CE-CB 4.34Å; M866-L870 HydrophobicContact CE-CD2 3.69Å; M866-L870 HydrophobicContact CG-CB 4.1Å; M866-L870 HydrophobicContact CG-CD2 4.45Å; M866-L870 HydrophobicContact SD-CB 4.24Å; M866-L870 HydrophobicContact SD-CD2 3.5Å; M866-L870 VanDerWaalsContact SD-CD2 3.5Å; M866-L870 HydrophobicContact SD-CG 4.47Å; G867-L870 PolarHBondContact O-N 3.31Å; S868-L870 PolarHBondContact O-N 3.29Å; L870-G873 PolarHBondContact O-N 3.46Å; L870-F874 PolarHBondContact O-N 2.84Å
871	K	50.7	Low	55.5	Low	68 Å²	68	80.9 Å²	80.9	30%	0.296	46%	0.461	S	S	.	.	H	α-helix	trans	-59.4	-50.2	168.2	-68.4	178.8	176.9	176.2	0	110.3	L863 M866 G867 S868 G873 F874 I875	L863-K871 WeakPolarHBondContact O-CE 3.18Å; M866-K871 VanDerWaalsContact O-CE 3.31Å; M866-K871 WeakPolarHBondContact O-CE 3.26Å; G867-K871 PolarHBondContact O-N 3.15Å; S868-K871 WeakPolarHBondContact O-CB 3.49Å; S868-K871 PolarHBondContact O-N 2.74Å; K871-G873 VanDerWaalsContact C-N 3.34Å; K871-G873 PolarHBondContact O-N 2.91Å; K871-F874 PolarHBondContact O-N 3.34Å; K871-I875 HydrophobicContact CB-CD1 4.49Å; K871-I875 WeakPolarHBondContact O-CB 3.5Å; K871-I875 WeakPolarHBondContact O-CD1 3.39Å; K871-I875 VanDerWaalsContact O-CG1 3.22Å; K871-I875 WeakPolarHBondContact O-CG1 3.23Å; K871-I875 PolarHBondContact O-N 3.43Å
872	Q	57	Low	55.2	Low	140 Å²	140	85.1 Å²	85.1	65%	0.654	48%	0.475	S	S	*	.	H	α-helix	trans	-62.7	-38.6	175.5	-70.7	-171.1	2.9	0	0	112.3	S868 S876	S868-Q872 PolarHBondContact O-N 2.73Å; Q872-S876 WeakPolarHBondContact O-CB 3.3Å; Q872-S876 PolarHBondContact O-N 3.34Å; Q872-S876 PolarHBondContact O-OG 3.01Å
873	G	61	Low	55.6	Low	37 Å²	37	88 Å²	88	38%	0.381	48%	0.482	S	S	.	.	H	α-helix	trans	-56.4	-49.4	171.5	0	0	0	0	0	112.9	D869 L870 K871 S876 S877	D869-G873 PolarHBondContact O-N 3.45Å; L870-G873 PolarHBondContact O-N 3.46Å; K871-G873 VanDerWaalsContact C-N 3.34Å; K871-G873 PolarHBondContact O-N 2.91Å; G873-S876 PolarHBondContact O-OG 3.08Å; G873-S877 WeakPolarHBondContact O-CB 3.16Å; G873-S877 PolarHBondContact O-N 3.04Å
874	F	49.6	Very low	56.2	Low	107 Å²	107	89.5 Å²	89.5	47%	0.469	49%	0.493	S	S	.	.	H	α-helix	trans	-72.6	-41.6	-178.6	-138.1	-91.1	0	0	0	112.5	L870 K871 S877 L878	L870-F874 PolarHBondContact O-N 2.84Å; K871-F874 PolarHBondContact O-N 3.34Å; F874-S877 PolarHBondContact O-N 3.35Å; F874-L878 HydrophobicContact CD1-CD1 4.03Å; F874-L878 HydrophobicContact CD1-CG 4.32Å; F874-L878 WeakPolarHBondContact O-CG 3.24Å; F874-L878 PolarHBondContact O-N 3.45Å
875	I	55.3	Low	55.8	Low	100 Å²	100	91.3 Å²	91.3	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-63.7	-41.3	176.3	-68.4	165.7	0	0	0	110.8	K871 L878 K879	K871-I875 HydrophobicContact CB-CD1 4.49Å; K871-I875 WeakPolarHBondContact O-CB 3.5Å; K871-I875 WeakPolarHBondContact O-CD1 3.39Å; K871-I875 VanDerWaalsContact O-CG1 3.22Å; K871-I875 WeakPolarHBondContact O-CG1 3.23Å; K871-I875 PolarHBondContact O-N 3.43Å; I875-L878 PolarHBondContact O-N 3.27Å; I875-K879 VanDerWaalsContact O-CB 3.26Å; I875-K879 WeakPolarHBondContact O-CB 3.43Å; I875-K879 PolarHBondContact O-N 2.94Å
876	S	54.4	Low	55.8	Low	69 Å²	69	88.4 Å²	88.4	48%	0.483	49%	0.489	S	S	.	.	H	α-helix	trans	-67.6	-36.1	175.6	63.3	0	0	0	0	112.5	Q872 G873 K879 S880	Q872-S876 WeakPolarHBondContact O-CB 3.3Å; Q872-S876 PolarHBondContact O-N 3.34Å; Q872-S876 PolarHBondContact O-OG 3.01Å; G873-S876 PolarHBondContact O-OG 3.08Å; S876-K879 PolarHBondContact O-N 2.95Å; S876-S880 WeakPolarHBondContact O-CB 3.39Å; S876-S880 PolarHBondContact O-N 3.22Å
877	S	53.8	Low	56.2	Low	78 Å²	78	91.2 Å²	91.2	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-65.2	-39.9	171.8	-169.1	0	0	0	0	112.5	G873 F874 A881	G873-S877 WeakPolarHBondContact O-CB 3.16Å; G873-S877 PolarHBondContact O-N 3.04Å; F874-S877 PolarHBondContact O-N 3.35Å; S877-A881 PolarHBondContact O-N 3.29Å
878	L	50.4	Low	55.9	Low	104 Å²	104	95 Å²	95	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-66.6	-44.8	174.1	-75.2	169	0	0	0	111.2	F874 I875 S880 A881 W882	F874-L878 HydrophobicContact CD1-CD1 4.03Å; F874-L878 HydrophobicContact CD1-CG 4.32Å; F874-L878 WeakPolarHBondContact O-CG 3.24Å; F874-L878 PolarHBondContact O-N 3.45Å; I875-L878 PolarHBondContact O-N 3.27Å; L878-S880 VanDerWaalsContact C-N 3.29Å; L878-S880 PolarHBondContact O-N 3.04Å; L878-A881 PolarHBondContact O-N 3.09Å; L878-A881 VanDerWaalsContact O-N 3.14Å; L878-W882 WeakPolarHBondContact O-CB 3.5Å; L878-W882 PolarHBondContact O-N 3.36Å
879	K	58.9	Low	55.6	Low	89 Å²	89	94 Å²	94	39%	0.387	50%	0.501	S	S	.	.	H	α-helix	trans	-58.9	-40.5	176.2	-158.9	166.8	-157.2	153	0	111.5	I875 S876 Q883 E914	I875-K879 VanDerWaalsContact O-CB 3.26Å; I875-K879 WeakPolarHBondContact O-CB 3.43Å; I875-K879 PolarHBondContact O-N 2.94Å; S876-K879 PolarHBondContact O-N 2.95Å; K879-Q883 WeakPolarHBondContact O-CB 3.2Å; K879-Q883 VanDerWaalsContact O-CG 3.23Å; K879-Q883 WeakPolarHBondContact O-CG 3.49Å; K879-Q883 PolarHBondContact O-N 3.2Å; K879-Q883 PolarHBondContact O-OE1 2.99Å; K879-E914 IonicContact NZ-OE1 3.27Å; K879-E914 PolarHBondContact NZ-OE1 3.07Å
880	S	58.2	Low	55.7	Low	63 Å²	63	92.2 Å²	92.2	44%	0.441	49%	0.485	S	S	.	.	H	α-helix	trans	-65.8	-44.3	173.2	-179.7	0	0	0	0	112.4	S876 L878 W882 Q883 T884	S876-S880 WeakPolarHBondContact O-CB 3.39Å; S876-S880 PolarHBondContact O-N 3.22Å; L878-S880 VanDerWaalsContact C-N 3.29Å; L878-S880 PolarHBondContact O-N 3.04Å; S880-W882 PolarHBondContact O-N 3.02Å; S880-Q883 WeakPolarHBondContact O-CB 3.48Å; S880-Q883 PolarHBondContact O-N 3.42Å; S880-T884 PolarHBondContact O-N 2.74Å; S880-T884 PolarHBondContact O-OG1 2.98Å
881	A	55.8	Low	55.8	Low	51 Å²	51	91.1 Å²	91.1	42%	0.421	49%	0.491	S	S	.	.	H	α-helix	trans	-64.6	-38.6	176.4	0	0	0	0	0	112.5	S877 L878 T884 L885	S877-A881 PolarHBondContact O-N 3.29Å; L878-A881 PolarHBondContact O-N 3.09Å; L878-A881 VanDerWaalsContact O-N 3.14Å; A881-T884 PolarHBondContact O-N 3.29Å; A881-L885 PolarHBondContact O-N 2.91Å
882	W	53.6	Low	55.7	Low	143 Å²	143	94.5 Å²	94.5	54%	0.542	51%	0.507	S	S	.	.	H	α-helix	trans	-68.8	-38.1	175.8	-142.2	100.9	0	0	0	111.5	L878 S880 L885 N886 A906	L878-W882 WeakPolarHBondContact O-CB 3.5Å; L878-W882 PolarHBondContact O-N 3.36Å; S880-W882 PolarHBondContact O-N 3.02Å; W882-L885 PolarHBondContact O-N 3.23Å; W882-N886 HydrophobicContact CE3-CB 4.39Å; W882-N886 HydrophobicContact CZ3-CB 4.5Å; W882-N886 WeakPolarHBondContact O-CB 3.3Å; W882-N886 PolarHBondContact O-N 3.34Å; W882-A906 HydrophobicContact CZ3-CB 4.5Å
883	Q	62.9	Low	55.5	Low	115 Å²	115	90 Å²	90	54%	0.537	49%	0.489	S	S	.	.	H	α-helix	trans	-61.5	-43.6	169.2	-78	170.7	-34.3	0	0	111.7	K879 S880 L885 N886 E887	K879-Q883 WeakPolarHBondContact O-CB 3.2Å; K879-Q883 VanDerWaalsContact O-CG 3.23Å; K879-Q883 WeakPolarHBondContact O-CG 3.49Å; K879-Q883 PolarHBondContact O-N 3.2Å; K879-Q883 PolarHBondContact O-OE1 2.99Å; S880-Q883 WeakPolarHBondContact O-CB 3.48Å; S880-Q883 PolarHBondContact O-N 3.42Å; Q883-L885 PolarHBondContact O-N 3.17Å; Q883-N886 PolarHBondContact O-N 2.76Å; Q883-E887 WeakPolarHBondContact O-CB 3.41Å; Q883-E887 WeakPolarHBondContact O-CG 3.43Å; Q883-E887 PolarHBondContact O-N 3.06Å
884	T	66.9	Low	54.9	Low	84 Å²	84	94.8 Å²	94.8	52%	0.515	52%	0.517	S	S	.	.	H	α-helix	trans	-63	-39.2	175.6	-52.2	0	0	0	0	112.3	S880 A881 F888	S880-T884 PolarHBondContact O-N 2.74Å; S880-T884 PolarHBondContact O-OG1 2.98Å; A881-T884 PolarHBondContact O-N 3.29Å; T884-F888 WeakPolarHBondContact O-CB 3.47Å; T884-F888 PolarHBondContact O-N 2.93Å
885	L	48.3	Very low	55.1	Low	118 Å²	118	92.1 Å²	92.1	62%	0.618	51%	0.511	S	S	*	.	H	α-helix	trans	-66.4	-40.2	173.5	-86.2	164.5	0	0	0	112.5	A881 W882 Q883 F888 A889	A881-L885 PolarHBondContact O-N 2.91Å; W882-L885 PolarHBondContact O-N 3.23Å; Q883-L885 PolarHBondContact O-N 3.17Å; L885-F888 PolarHBondContact O-N 3.37Å; L885-A889 WeakPolarHBondContact O-CB 3.17Å; L885-A889 PolarHBondContact O-N 2.88Å
886	N	57	Low	55.1	Low	60 Å²	60	92.5 Å²	92.5	32%	0.321	52%	0.518	S	S	.	.	H	α-helix	trans	-66.5	-44.9	176.3	-166.6	-6.1	0	0	0	110.8	W882 Q883 F888 A889 R890	W882-N886 HydrophobicContact CE3-CB 4.39Å; W882-N886 HydrophobicContact CZ3-CB 4.5Å; W882-N886 WeakPolarHBondContact O-CB 3.3Å; W882-N886 PolarHBondContact O-N 3.34Å; Q883-N886 PolarHBondContact O-N 2.76Å; N886-F888 VanDerWaalsContact C-N 3.32Å; N886-F888 PolarHBondContact O-N 2.75Å; N886-A889 PolarHBondContact O-N 3.3Å; N886-R890 WeakPolarHBondContact O-CB 3.42Å; N886-R890 PolarHBondContact O-N 2.91Å
887	E	60.7	Low	54.9	Low	139 Å²	139	96.2 Å²	96.2	65%	0.65	53%	0.528	S	S	*	.	H	α-helix	trans	-59.7	-39.5	172.2	-75.5	-175.3	171.1	0	0	112.5	Q883 R890 A891	Q883-E887 WeakPolarHBondContact O-CB 3.41Å; Q883-E887 WeakPolarHBondContact O-CG 3.43Å; Q883-E887 PolarHBondContact O-N 3.06Å; E887-R890 PolarHBondContact O-N 3Å; E887-A891 WeakPolarHBondContact O-CB 3.09Å; E887-A891 PolarHBondContact O-N 2.96Å
888	F	54.2	Low	54.6	Low	127 Å²	127	96.8 Å²	96.8	56%	0.557	53%	0.525	S	S	*	.	H	α-helix	trans	-65.3	-45.5	175.5	-177.1	-98.6	0	0	0	112.3	T884 L885 N886 A891 H892	T884-F888 WeakPolarHBondContact O-CB 3.47Å; T884-F888 PolarHBondContact O-N 2.93Å; L885-F888 PolarHBondContact O-N 3.37Å; N886-F888 VanDerWaalsContact C-N 3.32Å; N886-F888 PolarHBondContact O-N 2.75Å; F888-A891 PolarHBondContact O-N 3.25Å; F888-H892 AromaticContact CE1-CD2 3.84Å; F888-H892 AromaticContact CE2-CD2 3.82Å; F888-H892 AromaticContact CE2-NE2 3.56Å; F888-H892 AromaticContact CZ-CD2 3.62Å; F888-H892 AromaticContact CZ-NE2 3.52Å; F888-H892 PolarHBondContact O-CD2 3.34Å; F888-H892 PolarHBondContact O-N 3.04Å
889	A	49.5	Very low	54.7	Low	50 Å²	50	94 Å²	94	41%	0.413	51%	0.509	S	S	.	.	H	α-helix	trans	-61.3	-45.6	173.8	0	0	0	0	0	111.4	L885 N886 A891 H892 T893	L885-A889 WeakPolarHBondContact O-CB 3.17Å; L885-A889 PolarHBondContact O-N 2.88Å; N886-A889 PolarHBondContact O-N 3.3Å; A889-A891 PolarHBondContact O-N 3.14Å; A889-H892 CarbonylContact O-C 3.55Å; A889-H892 PolarHBondContact O-N 3.42Å; A889-T893 PolarHBondContact O-N 3.25Å; A889-T893 VanDerWaalsContact O-N 3.09Å; A889-T893 PolarHBondContact O-OG1 3.16Å
890	R	54.3	Low	54.7	Low	91 Å²	91	95.8 Å²	95.8	34%	0.343	52%	0.518	S	S	.	.	H	α-helix	trans	-62.3	-26.1	177.5	-168.9	176.9	-172.4	106.8	-5.2	113.1	N886 E887 Q899 E903	N886-R890 WeakPolarHBondContact O-CB 3.42Å; N886-R890 PolarHBondContact O-N 2.91Å; E887-R890 PolarHBondContact O-N 3Å; R890-Q899 HydrophobicContact CG-CG 3.99Å; R890-Q899 VanDerWaalsContact NE-NE2 3.19Å; R890-E903 IonicContact CZ-OE2 3.79Å; R890-E903 IonicContact NH1-OE2 2.84Å; R890-E903 PolarHBondContact NH1-OE2 3.14Å; R890-E903 IonicContact NH2-OE2 3.95Å; R890-E903 PolarHBondContact NH2-OE2 3.45Å
891	A	60.3	Low	54.5	Low	81 Å²	81	97.6 Å²	97.6	67%	0.669	52%	0.52	S	S	*	.	H	α-helix	trans	-80.4	-16.9	172.1	0	0	0	0	0	113.8	E887 F888 A889	E887-A891 WeakPolarHBondContact O-CB 3.09Å; E887-A891 PolarHBondContact O-N 2.96Å; F888-A891 PolarHBondContact O-N 3.25Å; A889-A891 PolarHBondContact O-N 3.14Å
892	H	48.6	Very low	54.2	Low	138 Å²	138	99.9 Å²	99.9	64%	0.639	53%	0.525	S	S	*	.	H	α-helix	trans	-105.8	-8	-179.7	-79.2	-66	0	0	0	114.4	F888 A889	F888-H892 AromaticContact CE1-CD2 3.84Å; F888-H892 AromaticContact CE2-CD2 3.82Å; F888-H892 AromaticContact CE2-NE2 3.56Å; F888-H892 AromaticContact CZ-CD2 3.62Å; F888-H892 AromaticContact CZ-NE2 3.52Å; F888-H892 PolarHBondContact O-CD2 3.34Å; F888-H892 PolarHBondContact O-N 3.04Å; A889-H892 CarbonylContact O-C 3.55Å; A889-H892 PolarHBondContact O-N 3.42Å
893	T	51.7	Low	54.1	Low	47 Å²	47	96.8 Å²	96.8	29%	0.288	52%	0.516	S	S	.	.			trans	-97	116.5	172.8	53.4	0	0	0	0	112.2	A889 S895	A889-T893 PolarHBondContact O-N 3.25Å; A889-T893 VanDerWaalsContact O-N 3.09Å; A889-T893 PolarHBondContact O-OG1 3.16Å; T893-S895 PolarHBondContact O-N 2.95Å
894	S	49	Very low	54.1	Low	136 Å²	136	96.9 Å²	96.9	95%	0.951	52%	0.515	S	S	*	.			trans	-92.2	22.2	-171.6	66.2	0	0	0	0	116
895	S	53.1	Low	53.4	Low	51 Å²	51	96.4 Å²	96.4	36%	0.357	51%	0.512	S	S	.	.			trans	-131.8	112.7	-178.5	-179.6	0	0	0	0	111.6	T893 Q897 L898 Q899	T893-S895 PolarHBondContact O-N 2.95Å; S895-Q897 VanDerWaalsContact C-N 3.26Å; S895-Q897 PolarHBondContact O-N 3.44Å; S895-L898 PolarHBondContact O-N 3.31Å; S895-Q899 PolarHBondContact O-N 3.34Å
896	T	55.1	Low	53.6	Low	108 Å²	108	91.6 Å²	91.6	66%	0.663	49%	0.489	S	S	*	.	H	α-helix	trans	-63	-28.5	-177	50.5	0	0	0	0	113.5	Q899 E900	T896-Q899 WeakPolarHBondContact O-CB 3.32Å; T896-Q899 PolarHBondContact O-N 3.32Å; T896-E900 PolarHBondContact O-N 3.25Å
897	Q	50.8	Low	53.7	Low	147 Å²	147	92.6 Å²	92.6	69%	0.687	49%	0.494	S	S	*	.	H	α-helix	trans	-75.2	-36.7	179.8	-170.1	175	-4.2	0	0	112.4	S895 Q899 E901	S895-Q897 VanDerWaalsContact C-N 3.26Å; S895-Q897 PolarHBondContact O-N 3.44Å; Q897-Q899 VanDerWaalsContact C-N 3.25Å; Q897-Q899 PolarHBondContact O-N 3.22Å; Q897-E901 PolarHBondContact O-N 3.39Å
898	L	47.4	Very low	53.3	Low	91 Å²	91	92 Å²	92	48%	0.476	49%	0.492	S	S	.	.	H	α-helix	trans	-68.3	-29.6	170.6	-84.1	166.7	0	0	0	111.7	S895 E901 L902	S895-L898 PolarHBondContact O-N 3.31Å; L898-E901 PolarHBondContact O-N 3.21Å; L898-L902 WeakPolarHBondContact O-CB 3.42Å; L898-L902 PolarHBondContact O-N 2.9Å
899	Q	52	Low	53.2	Low	45 Å²	45	89.8 Å²	89.8	21%	0.21	49%	0.485	C	S	.	.	H	α-helix	trans	-67.9	-38.5	-179.3	-162.7	175	-10	0	0	112.3	R890 S895 T896 Q897 E903	R890-Q899 HydrophobicContact CG-CG 3.99Å; R890-Q899 VanDerWaalsContact NE-NE2 3.19Å; S895-Q899 PolarHBondContact O-N 3.34Å; T896-Q899 WeakPolarHBondContact O-CB 3.32Å; T896-Q899 PolarHBondContact O-N 3.32Å; Q897-Q899 VanDerWaalsContact C-N 3.25Å; Q897-Q899 PolarHBondContact O-N 3.22Å; Q899-E903 WeakPolarHBondContact O-CB 3.45Å; Q899-E903 PolarHBondContact O-N 3.15Å
900	E	58.7	Low	53.5	Low	126 Å²	126	90.5 Å²	90.5	59%	0.589	48%	0.478	S	S	*	.	H	α-helix	trans	-71.2	-35.9	172.8	-70.2	-176	177.3	0	0	112.9	T896 E903 K904	T896-E900 PolarHBondContact O-N 3.25Å; E900-E903 PolarHBondContact O-N 3.35Å; E900-K904 WeakPolarHBondContact O-CG 3.49Å; E900-K904 PolarHBondContact O-N 2.98Å
901	E	53.9	Low	53.6	Low	101 Å²	101	92.6 Å²	92.6	47%	0.472	49%	0.492	S	S	.	.	H	α-helix	trans	-67.1	-45.9	175	-69.5	-67.4	104.5	0	0	111.5	Q897 L898 E903 K904 V905	Q897-E901 PolarHBondContact O-N 3.39Å; L898-E901 PolarHBondContact O-N 3.21Å; E901-E903 VanDerWaalsContact C-N 3.27Å; E901-E903 PolarHBondContact O-N 3.49Å; E901-K904 PolarHBondContact O-N 3.26Å; E901-K904 IonicContact OE1-NZ 2.68Å; E901-K904 PolarHBondContact OE1-NZ 3.39Å; E901-V905 WeakPolarHBondContact O-CG2 3.42Å; E901-V905 PolarHBondContact O-N 2.85Å
902	L	49.6	Very low	53.1	Low	99 Å²	99	94.4 Å²	94.4	52%	0.518	49%	0.487	S	S	.	.	H	α-helix	trans	-59.6	-36.2	172.9	-91.5	155.9	0	0	0	112.3	L898 V905 A906	L898-L902 WeakPolarHBondContact O-CB 3.42Å; L898-L902 PolarHBondContact O-N 2.9Å; L902-V905 PolarHBondContact O-N 3.21Å; L902-A906 VanDerWaalsContact O-CB 3.22Å; L902-A906 WeakPolarHBondContact O-CB 3.46Å; L902-A906 PolarHBondContact O-N 3.09Å
903	E	51.8	Low	53.1	Low	79 Å²	79	93 Å²	93	37%	0.369	48%	0.481	S	S	.	.	H	α-helix	trans	-70.7	-35	177.1	-173.7	164.1	169.6	0	0	112.8	R890 Q899 E900 E901 N907	R890-E903 IonicContact CZ-OE2 3.79Å; R890-E903 IonicContact NH1-OE2 2.84Å; R890-E903 PolarHBondContact NH1-OE2 3.14Å; R890-E903 IonicContact NH2-OE2 3.95Å; R890-E903 PolarHBondContact NH2-OE2 3.45Å; Q899-E903 WeakPolarHBondContact O-CB 3.45Å; Q899-E903 PolarHBondContact O-N 3.15Å; E900-E903 PolarHBondContact O-N 3.35Å; E901-E903 VanDerWaalsContact C-N 3.27Å; E901-E903 PolarHBondContact O-N 3.49Å; E903-N907 WeakPolarHBondContact O-CB 3.47Å; E903-N907 PolarHBondContact O-N 2.86Å; E903-N907 VanDerWaalsContact O-N 3.11Å; E903-N907 PolarHBondContact O-ND2 2.7Å
904	K	62.4	Low	52.9	Low	116 Å²	116	94.7 Å²	94.7	50%	0.504	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-52	169.9	-67.9	165.9	-161.4	165	0	110.7	E900 E901 A906 N907 Q908	E900-K904 WeakPolarHBondContact O-CG 3.49Å; E900-K904 PolarHBondContact O-N 2.98Å; E901-K904 PolarHBondContact O-N 3.26Å; E901-K904 IonicContact OE1-NZ 2.68Å; E901-K904 PolarHBondContact OE1-NZ 3.39Å; K904-A906 PolarHBondContact O-N 2.79Å; K904-N907 PolarHBondContact O-N 3.32Å; K904-Q908 WeakPolarHBondContact O-CB 3.37Å; K904-Q908 PolarHBondContact O-N 3.02Å
905	V	53.2	Low	52.7	Low	74 Å²	74	95.6 Å²	95.6	45%	0.448	47%	0.472	S	S	.	.	H	α-helix	trans	-61.1	-43.8	-178.4	174.1	0	0	0	0	111.6	E901 L902 N907 Q908 I909	E901-V905 WeakPolarHBondContact O-CG2 3.42Å; E901-V905 PolarHBondContact O-N 2.85Å; L902-V905 PolarHBondContact O-N 3.21Å; V905-N907 PolarHBondContact O-N 3.05Å; V905-Q908 PolarHBondContact O-N 3.19Å; V905-I909 HydrophobicContact CG1-CD1 3.87Å; V905-I909 HydrophobicContact CG1-CG1 4.48Å; V905-I909 WeakPolarHBondContact O-CG1 3.25Å; V905-I909 PolarHBondContact O-N 2.82Å
906	A	53	Low	52.2	Low	18 Å²	18	99.1 Å²	99.1	15%	0.149	48%	0.483	C	S	.	.	H	α-helix	trans	-64.8	-37.8	177.9	0	0	0	0	0	112.9	W882 L902 K904 K910	W882-A906 HydrophobicContact CZ3-CB 4.5Å; L902-A906 VanDerWaalsContact O-CB 3.22Å; L902-A906 WeakPolarHBondContact O-CB 3.46Å; L902-A906 PolarHBondContact O-N 3.09Å; K904-A906 PolarHBondContact O-N 2.79Å; A906-K910 VanDerWaalsContact O-CB 3.29Å; A906-K910 WeakPolarHBondContact O-CB 3.45Å; A906-K910 PolarHBondContact O-N 3.47Å; A906-K910 VanDerWaalsContact O-N 3.15Å
907	N	58.5	Low	51.8	Low	80 Å²	80	97.8 Å²	97.8	43%	0.428	47%	0.474	S	S	.	.	H	α-helix	trans	-69.5	-35	173.3	-77.6	-56.8	0	0	0	112.1	E903 K904 V905 K910 E911	E903-N907 WeakPolarHBondContact O-CB 3.47Å; E903-N907 PolarHBondContact O-N 2.86Å; E903-N907 VanDerWaalsContact O-N 3.11Å; E903-N907 PolarHBondContact O-ND2 2.7Å; K904-N907 PolarHBondContact O-N 3.32Å; V905-N907 PolarHBondContact O-N 3.05Å; N907-K910 PolarHBondContact O-N 2.7Å; N907-E911 PolarHBondContact O-N 3.1Å
908	Q	52.1	Low	51.4	Low	128 Å²	128	95.3 Å²	95.3	60%	0.598	47%	0.469	S	S	*	.	H	α-helix	trans	-67.2	-47	179	-154.5	166.2	13.3	0	0	111.6	K904 V905 K910 E911 E912	K904-Q908 WeakPolarHBondContact O-CB 3.37Å; K904-Q908 PolarHBondContact O-N 3.02Å; V905-Q908 PolarHBondContact O-N 3.19Å; Q908-K910 VanDerWaalsContact C-N 3.28Å; Q908-K910 PolarHBondContact O-N 2.88Å; Q908-E911 PolarHBondContact O-N 3.22Å; Q908-E912 WeakPolarHBondContact O-CB 3.48Å; Q908-E912 PolarHBondContact O-N 3.34Å
909	I	52	Low	50.9	Low	79 Å²	79	98.2 Å²	98.2	41%	0.405	48%	0.48	S	S	.	.	H	α-helix	trans	-57.4	-43.1	172.1	-66.7	165.8	0	0	0	110.5	V905 E912 E913	V905-I909 HydrophobicContact CG1-CD1 3.87Å; V905-I909 HydrophobicContact CG1-CG1 4.48Å; V905-I909 WeakPolarHBondContact O-CG1 3.25Å; V905-I909 PolarHBondContact O-N 2.82Å; I909-E912 WeakPolarHBondContact O-CB 3.19Å; I909-E912 PolarHBondContact O-N 3.32Å; I909-E913 PolarHBondContact O-N 3.49Å
910	K	56.2	Low	50.3	Low	65 Å²	65	99.3 Å²	99.3	28%	0.283	50%	0.497	S	S	.	.	H	α-helix	trans	-66.3	-37.8	179.3	-176.6	-165.8	150.2	-66.1	0	113	A906 N907 Q908 E912 E914	A906-K910 VanDerWaalsContact O-CB 3.29Å; A906-K910 WeakPolarHBondContact O-CB 3.45Å; A906-K910 PolarHBondContact O-N 3.47Å; A906-K910 VanDerWaalsContact O-N 3.15Å; N907-K910 PolarHBondContact O-N 2.7Å; Q908-K910 VanDerWaalsContact C-N 3.28Å; Q908-K910 PolarHBondContact O-N 2.88Å; K910-E912 VanDerWaalsContact C-N 3.28Å; K910-E914 WeakPolarHBondContact CE-OE1 3.49Å; K910-E914 IonicContact NZ-OE1 2.65Å; K910-E914 PolarHBondContact NZ-OE1 3.13Å; K910-E914 VanDerWaalsContact NZ-OE1 3.08Å; K910-E914 IonicContact NZ-OE2 3.58Å; K910-E914 PolarHBondContact NZ-OE2 3.26Å; K910-E914 VanDerWaalsContact O-CB 3.29Å; K910-E914 WeakPolarHBondContact O-CB 3.37Å; K910-E914 WeakPolarHBondContact O-CG 3.4Å; K910-E914 PolarHBondContact O-N 2.98Å
911	E	55.6	Low	49.2	Very low	136 Å²	136	99.7 Å²	99.7	64%	0.636	50%	0.499	S	S	*	.	H	α-helix	trans	-68.3	-29.7	172.6	-75.5	-170.1	152.6	0	0	112.1	N907 Q908 K915	N907-E911 PolarHBondContact O-N 3.1Å; Q908-E911 PolarHBondContact O-N 3.22Å; E911-K915 WeakPolarHBondContact O-CB 3.39Å; E911-K915 PolarHBondContact O-N 3.25Å
912	E	50.4	Low	48.2	Very low	119 Å²	119	103.9 Å²	103.9	56%	0.556	52%	0.515	S	S	*	.	H	α-helix	trans	-74.9	-42.3	176.3	-160.3	153.9	-126.9	0	0	111.8	Q908 I909 K910 K915 Q916	Q908-E912 WeakPolarHBondContact O-CB 3.48Å; Q908-E912 PolarHBondContact O-N 3.34Å; I909-E912 WeakPolarHBondContact O-CB 3.19Å; I909-E912 PolarHBondContact O-N 3.32Å; K910-E912 VanDerWaalsContact C-N 3.28Å; E912-K915 WeakPolarHBondContact O-CB 3.35Å; E912-K915 PolarHBondContact O-N 3.49Å; E912-Q916 WeakPolarHBondContact O-CG 3.44Å; E912-Q916 PolarHBondContact O-N 3.48Å
913	E	47.7	Very low	47.7	Very low	108 Å²	108	104.9 Å²	104.9	51%	0.505	53%	0.525	S	S	.	.	H	α-helix	trans	-61.4	-48.9	168.8	-74.1	-173.1	147.8	0	0	112.1	I909 K915 Q916 V917	I909-E913 PolarHBondContact O-N 3.49Å; E913-K915 PolarHBondContact O-N 3.31Å; E913-Q916 PolarHBondContact O-N 2.76Å; E913-V917 WeakPolarHBondContact O-CG2 3.28Å; E913-V917 PolarHBondContact O-N 3.16Å
914	E	48.1	Very low	47	Very low	83 Å²	83	105.9 Å²	105.9	39%	0.388	54%	0.537	S	S	.	.	H	α-helix	trans	-64.8	-21.6	178.9	-74.3	175	174.2	0	0	111.9	K879 K910 V918	K879-E914 IonicContact NZ-OE1 3.27Å; K879-E914 PolarHBondContact NZ-OE1 3.07Å; K910-E914 WeakPolarHBondContact CE-OE1 3.49Å; K910-E914 IonicContact NZ-OE1 2.65Å; K910-E914 PolarHBondContact NZ-OE1 3.13Å; K910-E914 VanDerWaalsContact NZ-OE1 3.08Å; K910-E914 IonicContact NZ-OE2 3.58Å; K910-E914 PolarHBondContact NZ-OE2 3.26Å; K910-E914 VanDerWaalsContact O-CB 3.29Å; K910-E914 WeakPolarHBondContact O-CB 3.37Å; K910-E914 WeakPolarHBondContact O-CG 3.4Å; K910-E914 PolarHBondContact O-N 2.98Å; E914-V918 VanDerWaalsContact O-CG2 3.3Å; E914-V918 WeakPolarHBondContact O-CG2 3.28Å
915	K	46.1	Very low	45.4	Very low	154 Å²	154	109.6 Å²	109.6	67%	0.67	56%	0.556	S	S	*	*	H	α-helix	trans	-75	-54.2	166	-103.6	-178.6	172.9	-179.3	0	113.1	E911 E912 E913 V917 V918 E919	E911-K915 WeakPolarHBondContact O-CB 3.39Å; E911-K915 PolarHBondContact O-N 3.25Å; E912-K915 WeakPolarHBondContact O-CB 3.35Å; E912-K915 PolarHBondContact O-N 3.49Å; E913-K915 PolarHBondContact O-N 3.31Å; K915-V917 VanDerWaalsContact C-N 3.26Å; K915-V917 PolarHBondContact O-N 3.22Å; K915-V918 PolarHBondContact O-N 3.09Å; K915-V918 VanDerWaalsContact O-N 3.08Å; K915-E919 PolarHBondContact O-N 3.43Å
916	Q	42.4	Very low	44.2	Very low	126 Å²	126	111.3 Å²	111.3	59%	0.589	57%	0.571	S	S	*	*	H	α-helix	trans	-61	-36.3	-174.4	-73.8	179.3	14	0	0	111.9	E912 E913 E919 A920	E912-Q916 WeakPolarHBondContact O-CG 3.44Å; E912-Q916 PolarHBondContact O-N 3.48Å; E913-Q916 PolarHBondContact O-N 2.76Å; Q916-E919 PolarHBondContact O-N 3.15Å; Q916-A920 VanDerWaalsContact O-CB 3.31Å; Q916-A920 WeakPolarHBondContact O-CB 3.41Å; Q916-A920 PolarHBondContact O-N 3.27Å
917	V	45.5	Very low	43.6	Very low	80 Å²	80	115.8 Å²	115.8	49%	0.485	60%	0.599	S	S	.	*	H	α-helix	trans	-62.3	-45.8	173.8	173.2	0	0	0	0	111.4	E913 K915 E919 A920 E921	E913-V917 WeakPolarHBondContact O-CG2 3.28Å; E913-V917 PolarHBondContact O-N 3.16Å; K915-V917 VanDerWaalsContact C-N 3.26Å; K915-V917 PolarHBondContact O-N 3.22Å; V917-E919 VanDerWaalsContact C-N 3.34Å; V917-E919 PolarHBondContact O-N 3.27Å; V917-A920 PolarHBondContact O-N 3.26Å; V917-E921 WeakPolarHBondContact O-CG 3.25Å; V917-E921 PolarHBondContact O-N 3.08Å
918	V	41.9	Very low	42.2	Very low	95 Å²	95	116.6 Å²	116.6	58%	0.576	60%	0.603	S	S	*	*	H	α-helix	trans	-69.2	-31	-179.8	171	0	0	0	0	112.4	E914 K915	E914-V918 VanDerWaalsContact O-CG2 3.3Å; E914-V918 WeakPolarHBondContact O-CG2 3.28Å; K915-V918 PolarHBondContact O-N 3.09Å; K915-V918 VanDerWaalsContact O-N 3.08Å
919	E	38	Very low	41.3	Very low	151 Å²	151	118 Å²	118	71%	0.706	61%	0.607	S	S	*	*	H	α-helix	trans	-74.3	-38.5	175.2	-161.8	146.5	-131.2	0	0	111.4	K915 Q916 V917 K922	K915-E919 PolarHBondContact O-N 3.43Å; Q916-E919 PolarHBondContact O-N 3.15Å; V917-E919 VanDerWaalsContact C-N 3.34Å; V917-E919 PolarHBondContact O-N 3.27Å; E919-K922 PolarHBondContact O-N 3.28Å
920	A	38.3	Very low	40.4	Very low	68 Å²	68	119.1 Å²	119.1	56%	0.562	62%	0.622	S	S	*	*	H	α-helix	trans	-67.9	-33.2	172.8	0	0	0	0	0	113.7	Q916 V917 K922	Q916-A920 VanDerWaalsContact O-CB 3.31Å; Q916-A920 WeakPolarHBondContact O-CB 3.41Å; Q916-A920 PolarHBondContact O-N 3.27Å; V917-A920 PolarHBondContact O-N 3.26Å; A920-K922 PolarHBondContact O-N 3.28Å; A920-K922 VanDerWaalsContact O-N 3.13Å
921	E	35.7	Very low	39.2	Very low	135 Å²	135	124.7 Å²	124.7	63%	0.631	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-14.5	176.4	-82.2	-173.4	149.7	0	0	113.5	V917	V917-E921 WeakPolarHBondContact O-CG 3.25Å; V917-E921 PolarHBondContact O-N 3.08Å
922	K	34.7	Very low	38.3	Very low	188 Å²	188	121 Å²	121	82%	0.817	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-2.4	-174.2	-148	174.6	-176.5	179.3	0	115.3	E919 A920	E919-K922 PolarHBondContact O-N 3.28Å; A920-K922 PolarHBondContact O-N 3.28Å; A920-K922 VanDerWaalsContact O-N 3.13Å
923	V	38.9	Very low	38.1	Very low	120 Å²	120	123.7 Å²	123.7	73%	0.727	64%	0.644	S	S	*	*	S	Bend	trans	-118.6	-9.5	-167.9	-177.5	0	0	0	0	113.9
924	V	35.3	Very low	37.7	Very low	101 Å²	101	125.6 Å²	125.6	61%	0.612	66%	0.657	S	S	*	*			trans	-135.1	85.8	-172.8	-168.6	0	0	0	0	113.9
925	E	30.3	Very low	37.4	Very low	193 Å²	193	131.3 Å²	131.3	90%	0.902	68%	0.677	S	S	*	*			trans	-120.8	95.9	156.8	-80.9	-156.8	128.5	0	0	111.3
926	S	28.6	Very low	37.6	Very low	110 Å²	110	128.4 Å²	128.4	77%	0.769	67%	0.668	S	S	*	*			trans	-174.4	141.9	148.1	18.1	0	0	0	0	110.2
927	P	39.5	Very low	38.3	Very low	112 Å²	112	124.6 Å²	124.6	73%	0.727	66%	0.662	S	S	*	*			trans	-103.7	164.2	-169.3	39.2	-35.6	0	0	0	115.3
928	D	29.4	Very low	39.4	Very low	97 Å²	97	128.6 Å²	128.6	52%	0.519	67%	0.673	S	S	.	*			trans	61	95.9	158.6	-89.7	-54.8	0	0	0	120.1	R865	R865-D928 IonicContact CZ-OD1 3.47Å; R865-D928 IonicContact NH1-OD1 3.27Å; R865-D928 PolarHBondContact NH1-OD1 3Å; R865-D928 IonicContact NH1-OD2 3.61Å; R865-D928 PolarHBondContact NH1-OD2 3.13Å; R865-D928 IonicContact NH2-OD1 2.69Å; R865-D928 PolarHBondContact NH2-OD1 3.12Å
929	F	33	Very low	41	Very low	158 Å²	158	124.1 Å²	124.1	69%	0.693	65%	0.646	S	S	*	*			trans	-121.8	115.1	156.1	-66.9	-58.1	0	0	0	110.8	D932	F929-D932 HydrophobicContact CD1-CB 4.03Å; F929-D932 VanDerWaalsContact CD1-CG 3.43Å; F929-D932 WeakPolarHBondContact CD1-OD2 2.82Å
930	S	32.7	Very low	43.2	Very low	103 Å²	103	117.2 Å²	117.2	72%	0.72	62%	0.616	S	S	*	*	S	Bend	trans	-151.4	12.8	170.2	58.1	0	0	0	0	113.5
931	K	31.9	Very low	45.7	Very low	181 Å²	181	118.2 Å²	118.2	79%	0.787	61%	0.61	S	S	*	*	S	Bend	trans	-143.9	22.3	-179.8	-72	-166	171.8	-175.6	0	114
932	D	36.8	Very low	48.2	Very low	60 Å²	60	111.9 Å²	111.9	32%	0.321	58%	0.58	S	S	.	*			trans	-109.9	4.7	-160.6	-67.9	70.3	0	0	0	115	F929 D934 Y935 L936	F929-D932 HydrophobicContact CD1-CB 4.03Å; F929-D932 VanDerWaalsContact CD1-CG 3.43Å; F929-D932 WeakPolarHBondContact CD1-OD2 2.82Å; D932-D934 PolarHBondContact O-N 3.3Å; D932-Y935 PolarHBondContact O-N 3.02Å; D932-L936 PolarHBondContact O-N 3.37Å
933	E	44.6	Very low	50.9	Low	175 Å²	175	102.9 Å²	102.9	82%	0.818	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-28	172	-68.8	-72.7	129	0	0	112.8
934	D	40.3	Very low	53.1	Low	147 Å²	147	99.5 Å²	99.5	79%	0.786	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-6.6	-176.9	-73.4	-44	0	0	0	114.8	D932	D932-D934 PolarHBondContact O-N 3.3Å
935	Y	40.8	Very low	55.5	Low	203 Å²	203	95.3 Å²	95.3	80%	0.796	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	-10.7	-167.5	-87.7	-85.2	0	0	0	116.9	D932	D932-Y935 PolarHBondContact O-N 3.02Å
936	L	51.2	Low	58.4	Low	94 Å²	94	91.3 Å²	91.3	49%	0.492	48%	0.484	S	S	.	.	S	Bend	trans	-85.6	140.8	173.2	-148.4	62.2	0	0	0	110.7	L841 D932	L841-L936 HydrophobicContact CD2-CD2 3.61Å; L841-L936 HydrophobicContact CD2-CG 4.05Å; D932-L936 PolarHBondContact O-N 3.37Å
937	G	56.4	Low	61.4	Low	45 Å²	45	88.4 Å²	88.4	46%	0.464	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-60.7	152.4	-167.8	0	0	0	0	0	114.7	V939	G937-V939 PolarHBondContact O-N 3.47Å
938	K	69.3	Low	64	Low	164 Å²	164	83.1 Å²	83.1	71%	0.713	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-56.3	126.7	173.3	-67.1	-176.9	180	-175.4	0	109.8	G940 G945	K938-G940 VanDerWaalsContact C-N 3.28Å; K938-G940 PolarHBondContact O-N 3.06Å; K938-G945 WeakPolarHBondContact CA-O 3.5Å
939	V	76.5	Confident	67.2	Low	2 Å²	2	78.5 Å²	78.5	1%	0.012	40%	0.397	C	S	.	.			trans	-82.8	-6.8	-174.1	-170.8	0	0	0	0	113.1	E832 I835 V836 L841 G937 G945	E832-V939 HydrophobicContact CB-CG1 3.96Å; E832-V939 HydrophobicContact CG-CG1 3.74Å; I835-V939 WeakPolarHBondContact CG2-O 3.5Å; V836-V939 HydrophobicContact CG2-CG1 4.32Å; V836-V939 WeakPolarHBondContact CG2-O 3.39Å; L841-V939 HydrophobicContact CD1-CB 4.46Å; L841-V939 HydrophobicContact CD1-CG1 3.94Å; L841-V939 HydrophobicContact CD1-CG2 3.71Å; G937-V939 PolarHBondContact O-N 3.47Å; V939-G945 PolarHBondContact N-O 2.88Å
940	G	83.6	Confident	70.2	Confident	6 Å²	6	72.2 Å²	72.2	6%	0.062	37%	0.369	C	S	.	.			trans	132	165.2	178.2	0	0	0	0	0	112.7	E807 K938 L942 G945	E807-G940 CarbonylContact O-C 3.52Å; E807-G940 VanDerWaalsContact O-CA 3.3Å; E807-G940 WeakPolarHBondContact O-CA 3.46Å; K938-G940 VanDerWaalsContact C-N 3.28Å; K938-G940 PolarHBondContact O-N 3.06Å; G940-L942 PolarHBondContact O-N 3.4Å; G940-G945 WeakPolarHBondContact O-CA 3.36Å; G940-G945 PolarHBondContact O-N 3Å
941	M	89.6	Confident	73.1	Confident	88 Å²	88	68.4 Å²	68.4	43%	0.433	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-73.3	-12.1	-173.9	-68.5	-56.5	-58	0	0	114.1	E807 Y809 N943 G944	E807-M941 PolarHBondContact O-N 3.43Å; Y809-M941 CarbonylContact O-C 3.56Å; Y809-M941 VanDerWaalsContact O-C 3.26Å; M941-N943 PolarHBondContact O-N 2.98Å; M941-G944 PolarHBondContact O-N 3.4Å
942	L	88.4	Confident	75.9	Confident	2 Å²	2	60 Å²	60	1%	0.01	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-58	-31.2	-179.4	-178	58.5	0	0	0	113.6	Y809 L811 F817 L831 I835 G940 I948	Y809-L942 HydrophobicContact CD1-CD1 4.17Å; Y809-L942 HydrophobicContact CE1-CD1 4.07Å; Y809-L942 WeakPolarHBondContact O-CA 3.5Å; Y809-L942 PolarHBondContact O-N 3.01Å; L811-L942 HydrophobicContact CD1-CD1 4.23Å; L811-L942 HydrophobicContact CG-CD1 3.83Å; F817-L942 HydrophobicContact CB-CD1 4.29Å; F817-L942 HydrophobicContact CB-CG 4.08Å; F817-L942 VanDerWaalsContact CB-O 3.3Å; F817-L942 WeakPolarHBondContact CB-O 3.02Å; F817-L942 HydrophobicContact CD1-CD2 3.98Å; F817-L942 HydrophobicContact CD1-CG 4Å; F817-L942 HydrophobicContact CD2-CD1 4.46Å; F817-L942 HydrophobicContact CE1-CD2 4.24Å; F817-L942 HydrophobicContact CG-CD1 4.2Å; F817-L942 HydrophobicContact CG-CD2 4.33Å; F817-L942 HydrophobicContact CG-CG 3.96Å; L831-L942 HydrophobicContact CD2-CD2 4.46Å; I835-L942 HydrophobicContact CD1-CD2 4.25Å; G940-L942 PolarHBondContact O-N 3.4Å; L942-I948 HydrophobicContact CB-CD1 4.03Å; L942-I948 HydrophobicContact CD2-CD1 4.26Å; L942-I948 HydrophobicContact CG-CD1 4.31Å
943	N	91.9	Very high	78	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-121.7	35.1	167.5	-163.4	16.8	0	0	0	112.1	G816 F817 M941 G945 R946 R947 I948	G816-N943 WeakPolarHBondContact CA-OD1 3.27Å; F817-N943 HydrophobicContact CB-CB 4.42Å; F817-N943 PolarHBondContact N-OD1 3.43Å; F817-N943 VanDerWaalsContact N-OD1 3.09Å; F817-N943 WeakPolarHBondContact O-CB 3.48Å; F817-N943 PolarHBondContact O-ND2 3.22Å; F817-N943 VanDerWaalsContact O-ND2 3.08Å; M941-N943 PolarHBondContact O-N 2.98Å; N943-G945 VanDerWaalsContact C-N 3.28Å; N943-G945 PolarHBondContact O-N 3.48Å; N943-R946 HydrophobicContact CB-CB 4.39Å; N943-R946 WeakPolarHBondContact O-CB 3.41Å; N943-R946 WeakPolarHBondContact O-CG 3.45Å; N943-R946 PolarHBondContact O-N 3.28Å; N943-R946 VanDerWaalsContact O-N 3.1Å; N943-R946 PolarHBondContact O-NE 3.07Å; N943-R946 PolarHBondContact OD1-NE 2.9Å; N943-R946 PolarHBondContact OD1-NH2 3.4Å; N943-R947 PolarHBondContact ND2-O 3.35Å; N943-I948 HydrophobicContact CB-CD1 4.29Å; N943-I948 HydrophobicContact CB-CG1 3.65Å
944	G	85.3	Confident	79.5	Confident	49 Å²	49	52 Å²	52	51%	0.505	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	25.2	179	0	0	0	0	0	114.9	M941	M941-G944 PolarHBondContact O-N 3.4Å
945	G	85.5	Confident	80.9	Confident	13 Å²	13	49.1 Å²	49.1	13%	0.134	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-6.8	-174.1	0	0	0	0	0	115	K938 V939 G940 N943	K938-G945 WeakPolarHBondContact CA-O 3.5Å; V939-G945 PolarHBondContact N-O 2.88Å; G940-G945 WeakPolarHBondContact O-CA 3.36Å; G940-G945 PolarHBondContact O-N 3Å; N943-G945 VanDerWaalsContact C-N 3.28Å; N943-G945 PolarHBondContact O-N 3.48Å
946	R	90.6	Very high	81.6	Confident	108 Å²	108	42.4 Å²	42.4	41%	0.408	23%	0.228	S	C	.	.	S	Bend	trans	-77.5	168.1	176.5	-59.3	179.6	-65.4	-147.2	2.4	111.8	N943	N943-R946 HydrophobicContact CB-CB 4.39Å; N943-R946 WeakPolarHBondContact O-CB 3.41Å; N943-R946 WeakPolarHBondContact O-CG 3.45Å; N943-R946 PolarHBondContact O-N 3.28Å; N943-R946 VanDerWaalsContact O-N 3.1Å; N943-R946 PolarHBondContact O-NE 3.07Å; N943-R946 PolarHBondContact OD1-NE 2.9Å; N943-R946 PolarHBondContact OD1-NH2 3.4Å
947	R	92.4	Very high	82.1	Confident	50 Å²	50	43.8 Å²	43.8	19%	0.189	23%	0.234	C	C	.	.			trans	-58.3	152.6	169.1	-58.6	-56.2	-54.8	-85.2	-4.7	111.6	E832 K842 V844 N943 Y950	E832-R947 WeakPolarHBondContact OE1-CA 3.48Å; E832-R947 IonicContact OE1-CZ 3.51Å; E832-R947 IonicContact OE1-NE 2.79Å; E832-R947 PolarHBondContact OE1-NE 3.03Å; E832-R947 IonicContact OE1-NH2 3.47Å; E832-R947 PolarHBondContact OE1-NH2 2.74Å; E832-R947 IonicContact OE2-CZ 3.57Å; E832-R947 IonicContact OE2-NE 2.71Å; E832-R947 IonicContact OE2-NH2 2.79Å; E832-R947 PolarHBondContact OE2-NH2 2.62Å; K842-R947 PolarHBondContact O-NH1 2.96Å; K842-R947 PolarHBondContact O-NH2 3.23Å; V844-R947 HydrophobicContact CG2-CB 3.54Å; V844-R947 HydrophobicContact CG2-CG 3.64Å; N943-R947 PolarHBondContact ND2-O 3.35Å; R947-Y950 HydrophobicContact CB-CE2 4.44Å
948	I	94.3	Very high	82.4	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.			trans	-123	-41	-174.3	-74.7	160	0	0	0	111.9	F817 N819 L831 E832 I835 L942 N943 Y950	F817-I948 HydrophobicContact CD1-CG1 4.33Å; F817-I948 HydrophobicContact CD1-CG2 3.65Å; F817-I948 HydrophobicContact CE1-CG2 3.62Å; N819-I948 HydrophobicContact CB-CG2 4.12Å; N819-I948 WeakPolarHBondContact CB-O 3.31Å; N819-I948 PolarHBondContact N-O 3.14Å; L831-I948 HydrophobicContact CB-CG2 4.11Å; E832-I948 HydrophobicContact CG-CB 3.85Å; E832-I948 HydrophobicContact CG-CG2 4.41Å; E832-I948 PolarHBondContact OE1-N 3.42Å; I835-I948 HydrophobicContact CD1-CD1 3.44Å; I835-I948 VanDerWaalsContact CD1-CD1 3.44Å; L942-I948 HydrophobicContact CB-CD1 4.03Å; L942-I948 HydrophobicContact CD2-CD1 4.26Å; L942-I948 HydrophobicContact CG-CD1 4.31Å; N943-I948 HydrophobicContact CB-CD1 4.29Å; N943-I948 HydrophobicContact CB-CG1 3.65Å; I948-Y950 WeakPolarHBondContact O-CD2 3.24Å
949	D	95.9	Very high	82	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.1	-178.7	-71.2	-31.8	0	0	0	110.8	N819 Y821 R830 L831 E832 A843 V844	N819-D949 PolarHBondContact ND2-OD1 3.32Å; Y821-D949 HydrophobicContact CE1-CB 4.17Å; R830-D949 VanDerWaalsContact CB-OD2 3.3Å; R830-D949 WeakPolarHBondContact CB-OD2 3.31Å; R830-D949 IonicContact CZ-OD2 3.22Å; R830-D949 IonicContact NE-OD2 3.17Å; R830-D949 PolarHBondContact NE-OD2 3.02Å; R830-D949 IonicContact NH2-OD2 3.11Å; R830-D949 PolarHBondContact NH2-OD2 2.86Å; R830-D949 VanDerWaalsContact NH2-OD2 3.16Å; L831-D949 PolarHBondContact N-OD1 3.26Å; L831-D949 PolarHBondContact N-OD2 3.36Å; E832-D949 WeakPolarHBondContact CB-OD2 3.04Å; E832-D949 HydrophobicContact CG-CB 3.99Å; E832-D949 WeakPolarHBondContact CG-OD2 3.33Å; E832-D949 PolarHBondContact N-OD2 3.41Å; E832-D949 VanDerWaalsContact N-OD2 3.08Å; E832-D949 PolarHBondContact OE1-N 3.13Å; A843-D949 HydrophobicContact CB-CB 3.8Å; V844-D949 PolarHBondContact N-O 3.47Å
950	Y	95.4	Very high	81.1	Confident	27 Å²	27	44.4 Å²	44.4	11%	0.106	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127	178.3	-69.7	-100	0	0	0	110.2	F818 N819 I820 Y821 V844 I846 R947 I948 L982	F818-Y950 HydrophobicContact CD1-CD2 4.04Å; F818-Y950 AromaticContact CD1-CE2 3.49Å; F818-Y950 HydrophobicContact CD1-CE2 3.49Å; F818-Y950 VanDerWaalsContact CD1-CE2 3.49Å; F818-Y950 AromaticContact CD1-CZ 3.95Å; F818-Y950 HydrophobicContact CE1-CE2 4.01Å; N819-Y950 PolarHBondContact O-N 3.3Å; I820-Y950 WeakPolarHBondContact CA-O 3.39Å; Y821-Y950 WeakPolarHBondContact CD1-O 3.39Å; Y821-Y950 PolarHBondContact N-O 3.44Å; V844-Y950 HydrophobicContact CB-CD1 3.68Å; V844-Y950 HydrophobicContact CB-CE1 3.82Å; V844-Y950 HydrophobicContact CB-CG 4.22Å; V844-Y950 HydrophobicContact CG1-CD1 3.75Å; V844-Y950 HydrophobicContact CG1-CE1 3.66Å; V844-Y950 HydrophobicContact CG2-CE1 4.27Å; V844-Y950 CarbonylContact O-C 3.57Å; V844-Y950 VanDerWaalsContact O-CA 3.31Å; V844-Y950 WeakPolarHBondContact O-CA 3.31Å; I846-Y950 HydrophobicContact CG1-CD1 4.45Å; R947-Y950 HydrophobicContact CB-CE2 4.44Å; I948-Y950 WeakPolarHBondContact O-CD2 3.24Å; Y950-L982 HydrophobicContact CD1-CD2 4.17Å; Y950-L982 HydrophobicContact CG-CD2 4.27Å
951	V	93.9	Very high	80.3	Confident	22 Å²	22	47.7 Å²	47.7	13%	0.133	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.8	-173.5	64.8	0	0	0	0	111.8	Y821 P823 A843 V844 L845 I846	Y821-V951 HydrophobicContact CD2-CG2 4.18Å; Y821-V951 HydrophobicContact CE1-CB 4.34Å; Y821-V951 HydrophobicContact CE2-CB 4.07Å; Y821-V951 HydrophobicContact CE2-CG2 3.7Å; Y821-V951 WeakPolarHBondContact O-CA 3.42Å; P823-V951 HydrophobicContact CB-CG2 4.08Å; P823-V951 HydrophobicContact CG-CG2 4.24Å; A843-V951 HydrophobicContact CB-CB 4.21Å; A843-V951 HydrophobicContact CB-CG1 4.03Å; V844-V951 PolarHBondContact O-N 3.24Å; L845-V951 HydrophobicContact CD1-CG1 4.21Å; I846-V951 WeakPolarHBondContact CG1-O 3.34Å; I846-V951 PolarHBondContact N-O 3.36Å
952	L	90.4	Very high	79.4	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.026	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-69.6	157.5	175.7	-71.5	169.7	0	0	0	111.7	Y821 H822 P823 I846 Y973 D978	Y821-L952 PolarHBondContact O-N 3.05Å; H822-L952 HydrophobicContact CB-CD1 4.36Å; P823-L952 WeakPolarHBondContact CD-O 3.41Å; I846-L952 HydrophobicContact CB-CD2 4.42Å; I846-L952 HydrophobicContact CD1-CD2 3.68Å; I846-L952 HydrophobicContact CD1-CG 4.01Å; I846-L952 HydrophobicContact CG2-CD2 4.38Å; L952-Y973 HydrophobicContact CD1-CD1 3.84Å; L952-Y973 HydrophobicContact CD1-CE1 3.72Å; L952-D978 HydrophobicContact CD2-CB 4.03Å
953	Q	82.7	Confident	78.3	Confident	5 Å²	5	59 Å²	59	2%	0.023	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-83.8	135.1	172.7	-64	-178.6	44.4	0	0	110.2	L845 I846 H848 R854 L857	L845-Q953 HydrophobicContact CD1-CG 3.86Å; L845-Q953 HydrophobicContact CD2-CG 4.49Å; L845-Q953 HydrophobicContact CG-CG 4.18Å; I846-Q953 PolarHBondContact O-NE2 2.88Å; H848-Q953 VanDerWaalsContact N-NE2 3.2Å; R854-Q953 HydrophobicContact CG-CB 4.43Å; R854-Q953 VanDerWaalsContact CZ-O 3.25Å; R854-Q953 PolarHBondContact NH1-O 3.02Å; R854-Q953 PolarHBondContact NH2-O 3.19Å; L857-Q953 HydrophobicContact CD2-CG 4.1Å
954	E	74.4	Confident	76.9	Confident	62 Å²	62	64.4 Å²	64.4	29%	0.29	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-61.7	151.5	168.5	-67.7	149.3	-148.3	0	0	111.2	P823 R854	P823-E954 HydrophobicContact CG-CG 3.7Å; P823-E954 WeakPolarHBondContact CG-OE1 3.45Å; R854-E954 WeakPolarHBondContact CD-O 3.49Å; R854-E954 PolarHBondContact NH1-O 3.13Å
955	K	70.2	Confident	76.2	Confident	87 Å²	87	63.5 Å²	63.5	38%	0.378	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-80.4	149.2	162.5	-58	-178.3	-162.5	72.8	0	108.7	I957 E958	K955-I957 PolarHBondContact O-N 3.14Å; K955-E958 HydrophobicContact CB-CG 4.05Å; K955-E958 WeakPolarHBondContact CB-OE2 3.36Å; K955-E958 VanDerWaalsContact CD-OE1 3.28Å; K955-E958 WeakPolarHBondContact CD-OE1 3.21Å; K955-E958 WeakPolarHBondContact CE-OE1 3.39Å; K955-E958 WeakPolarHBondContact CG-OE2 3.49Å; K955-E958 PolarHBondContact N-OE2 3.22Å; K955-E958 IonicContact NZ-OE1 2.79Å; K955-E958 PolarHBondContact NZ-OE1 3.15Å; K955-E958 IonicContact NZ-OE2 3.2Å; K955-E958 WeakPolarHBondContact O-CB 3.39Å; K955-E958 PolarHBondContact O-N 3.36Å
956	P	55.9	Low	75.6	Confident	62 Å²	62	63.9 Å²	63.9	40%	0.403	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.8	-178.4	-23.8	33.9	0	0	0	115.9	H856 S959 F960	H856-P956 HydrophobicContact CB-CB 4.06Å; H856-P956 HydrophobicContact CB-CG 3.84Å; P956-S959 PolarHBondContact O-OG 3.47Å; P956-F960 WeakPolarHBondContact O-CD2 3.47Å; P956-F960 WeakPolarHBondContact O-CE2 3.29Å
957	I	60.9	Low	74.6	Confident	122 Å²	122	60.4 Å²	60.4	63%	0.626	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-29.6	175	-55.8	178.5	0	0	0	110.8	K955 S959 F960 F965	K955-I957 PolarHBondContact O-N 3.14Å; I957-S959 VanDerWaalsContact C-N 3.33Å; I957-S959 PolarHBondContact O-N 3.14Å; I957-F960 PolarHBondContact O-N 3.34Å; I957-F965 HydrophobicContact CG2-CE2 4.33Å; I957-F965 HydrophobicContact CG2-CZ 3.86Å; I957-F965 VanDerWaalsContact O-CE2 3.32Å; I957-F965 WeakPolarHBondContact O-CE2 3.48Å
958	E	63.6	Low	73.9	Confident	9 Å²	9	62 Å²	62	4%	0.042	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-69.8	-32.8	-174.7	-70	161.8	177.4	0	0	111.7	H822 L824 K955 F960 N961 F965	H822-E958 IonicContact CE1-OE2 2.81Å; H822-E958 IonicContact NE2-OE2 3.87Å; L824-E958 HydrophobicContact CD1-CB 4.2Å; K955-E958 HydrophobicContact CB-CG 4.05Å; K955-E958 WeakPolarHBondContact CB-OE2 3.36Å; K955-E958 VanDerWaalsContact CD-OE1 3.28Å; K955-E958 WeakPolarHBondContact CD-OE1 3.21Å; K955-E958 WeakPolarHBondContact CE-OE1 3.39Å; K955-E958 WeakPolarHBondContact CG-OE2 3.49Å; K955-E958 PolarHBondContact N-OE2 3.22Å; K955-E958 IonicContact NZ-OE1 2.79Å; K955-E958 PolarHBondContact NZ-OE1 3.15Å; K955-E958 IonicContact NZ-OE2 3.2Å; K955-E958 WeakPolarHBondContact O-CB 3.39Å; K955-E958 PolarHBondContact O-N 3.36Å; E958-F960 PolarHBondContact O-N 2.78Å; E958-F960 VanDerWaalsContact O-N 3.14Å; E958-N961 PolarHBondContact O-N 3.12Å; E958-F965 VanDerWaalsContact CA-CD2 3.46Å; E958-F965 HydrophobicContact CB-CB 4.2Å; E958-F965 HydrophobicContact CB-CD2 4.22Å; E958-F965 HydrophobicContact CB-CG 4.1Å; E958-F965 HydrophobicContact CG-CB 4.05Å; E958-F965 HydrophobicContact CG-CD1 3.84Å; E958-F965 HydrophobicContact CG-CD2 4.27Å; E958-F965 HydrophobicContact CG-CE1 4.38Å; E958-F965 HydrophobicContact CG-CG 3.78Å; E958-F965 WeakPolarHBondContact O-CD2 3.49Å
959	S	60.4	Low	73.3	Confident	45 Å²	45	62.1 Å²	62.1	32%	0.315	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-69.8	0.8	175.1	59	0	0	0	0	115.4	P956 I957	P956-S959 PolarHBondContact O-OG 3.47Å; I957-S959 VanDerWaalsContact C-N 3.33Å; I957-S959 PolarHBondContact O-N 3.14Å
960	F	57.7	Low	72.8	Confident	170 Å²	170	62.1 Å²	62.1	75%	0.746	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-97.3	-15.2	175.7	-74.5	-80.7	0	0	0	114.1	P956 I957 E958	P956-F960 WeakPolarHBondContact O-CD2 3.47Å; P956-F960 WeakPolarHBondContact O-CE2 3.29Å; I957-F960 PolarHBondContact O-N 3.34Å; E958-F960 PolarHBondContact O-N 2.78Å; E958-F960 VanDerWaalsContact O-N 3.14Å
961	N	67	Low	72.1	Confident	75 Å²	75	62.2 Å²	62.2	40%	0.401	31%	0.305	S	S	.	.			trans	-159.6	88.3	177.5	-168.8	-38.2	0	0	0	111.9	E958 Y963 L964 F965	E958-N961 PolarHBondContact O-N 3.12Å; N961-Y963 VanDerWaalsContact C-N 3.31Å; N961-Y963 PolarHBondContact O-N 3.15Å; N961-Y963 PolarHBondContact OD1-N 2.71Å; N961-L964 HydrophobicContact CB-CB 3.89Å; N961-L964 HydrophobicContact CB-CD2 4.5Å; N961-L964 PolarHBondContact O-N 2.82Å; N961-L964 VanDerWaalsContact O-N 3.09Å; N961-L964 WeakPolarHBondContact OD1-CB 3.45Å; N961-L964 PolarHBondContact OD1-N 3.14Å; N961-F965 HydrophobicContact CB-CD2 4.48Å; N961-F965 HydrophobicContact CB-CE2 4.4Å; N961-F965 WeakPolarHBondContact O-CD2 3.4Å; N961-F965 PolarHBondContact O-N 3.3Å
962	E	70.9	Confident	71.6	Confident	123 Å²	123	62.1 Å²	62.1	58%	0.575	31%	0.305	S	S	*	.	H	α-helix	trans	-50.3	-47.5	-176.8	-58	179.7	163.4	0	0	112.6	L824 L964 F965 A966	L824-E962 HydrophobicContact CD2-CB 4.08Å; L824-E962 HydrophobicContact CD2-CG 3.93Å; E962-L964 PolarHBondContact O-N 3.31Å; E962-F965 PolarHBondContact O-N 3.43Å; E962-A966 WeakPolarHBondContact O-CB 3.38Å; E962-A966 PolarHBondContact O-N 3.28Å
963	Y	65.3	Low	71.6	Confident	205 Å²	205	61.9 Å²	61.9	80%	0.804	30%	0.304	S	S	*	.	H	α-helix	trans	-66.7	-30.8	-178.3	-61.8	-71.7	0	0	0	114.2	N961	N961-Y963 VanDerWaalsContact C-N 3.31Å; N961-Y963 PolarHBondContact O-N 3.15Å; N961-Y963 PolarHBondContact OD1-N 2.71Å
964	L	62.3	Low	71.9	Confident	113 Å²	113	62 Å²	62	59%	0.592	30%	0.304	S	S	*	.	H	α-helix	trans	-71.3	-34	176.5	-176.8	62.5	0	0	0	111.6	N961 E962	N961-L964 HydrophobicContact CB-CB 3.89Å; N961-L964 HydrophobicContact CB-CD2 4.5Å; N961-L964 PolarHBondContact O-N 2.82Å; N961-L964 VanDerWaalsContact O-N 3.09Å; N961-L964 WeakPolarHBondContact OD1-CB 3.45Å; N961-L964 PolarHBondContact OD1-N 3.14Å; E962-L964 PolarHBondContact O-N 3.31Å
965	F	71.3	Confident	72.5	Confident	30 Å²	30	64.3 Å²	64.3	13%	0.132	32%	0.315	C	S	.	.	H	α-helix	trans	-102.2	-14.9	-172.8	-64	-69	0	0	0	114.8	L824 I957 E958 N961 E962 L967 Q968 S969	L824-F965 HydrophobicContact CD1-CB 4.1Å; I957-F965 HydrophobicContact CG2-CE2 4.33Å; I957-F965 HydrophobicContact CG2-CZ 3.86Å; I957-F965 VanDerWaalsContact O-CE2 3.32Å; I957-F965 WeakPolarHBondContact O-CE2 3.48Å; E958-F965 VanDerWaalsContact CA-CD2 3.46Å; E958-F965 HydrophobicContact CB-CB 4.2Å; E958-F965 HydrophobicContact CB-CD2 4.22Å; E958-F965 HydrophobicContact CB-CG 4.1Å; E958-F965 HydrophobicContact CG-CB 4.05Å; E958-F965 HydrophobicContact CG-CD1 3.84Å; E958-F965 HydrophobicContact CG-CD2 4.27Å; E958-F965 HydrophobicContact CG-CE1 4.38Å; E958-F965 HydrophobicContact CG-CG 3.78Å; E958-F965 WeakPolarHBondContact O-CD2 3.49Å; N961-F965 HydrophobicContact CB-CD2 4.48Å; N961-F965 HydrophobicContact CB-CE2 4.4Å; N961-F965 WeakPolarHBondContact O-CD2 3.4Å; N961-F965 PolarHBondContact O-N 3.3Å; E962-F965 PolarHBondContact O-N 3.43Å; F965-L967 VanDerWaalsContact C-N 3.3Å; F965-L967 PolarHBondContact O-N 3.39Å; F965-Q968 PolarHBondContact O-N 2.96Å; F965-S969 WeakPolarHBondContact O-CB 3.27Å; F965-S969 PolarHBondContact O-N 3.39Å
966	A	71.4	Confident	73.5	Confident	21 Å²	21	60.9 Å²	60.9	17%	0.174	30%	0.302	C	S	.	.	H	α-helix	trans	-49.8	-49.1	175.8	0	0	0	0	0	112.4	L824 P826 E962 Q968 S969 H970	L824-A966 WeakPolarHBondContact O-CA 3.41Å; L824-A966 WeakPolarHBondContact O-CB 3.42Å; P826-A966 HydrophobicContact CG-CB 4.41Å; E962-A966 WeakPolarHBondContact O-CB 3.38Å; E962-A966 PolarHBondContact O-N 3.28Å; A966-Q968 PolarHBondContact O-N 3.06Å; A966-S969 PolarHBondContact O-N 2.94Å; A966-S969 PolarHBondContact O-OG 3.39Å; A966-H970 PolarHBondContact O-N 3.34Å
967	L	70.6	Confident	75.2	Confident	36 Å²	36	60.3 Å²	60.3	19%	0.188	29%	0.294	C	S	.	.	H	α-helix	trans	-59.8	-42.3	175.7	173	55.4	0	0	0	113.2	L459 R527 F531 F965 S969	L459-L967 HydrophobicContact CD1-CG 4.46Å; L459-L967 HydrophobicContact CD2-CD1 3.73Å; L459-L967 HydrophobicContact CD2-CD2 4.17Å; L459-L967 HydrophobicContact CD2-CG 3.74Å; R527-L967 HydrophobicContact CB-CD2 4.39Å; F531-L967 HydrophobicContact CB-CD1 3.52Å; F531-L967 HydrophobicContact CD1-CD1 4.23Å; F531-L967 HydrophobicContact CD2-CD1 3.4Å; F531-L967 VanDerWaalsContact CD2-CD1 3.4Å; F531-L967 HydrophobicContact CE2-CD1 4.17Å; F531-L967 HydrophobicContact CG-CD1 3.44Å; F531-L967 VanDerWaalsContact CG-CD1 3.44Å; F965-L967 VanDerWaalsContact C-N 3.3Å; F965-L967 PolarHBondContact O-N 3.39Å; L967-S969 VanDerWaalsContact C-N 3.32Å
968	Q	76.6	Confident	76.7	Confident	82 Å²	82	54.7 Å²	54.7	38%	0.383	27%	0.265	S	S	.	.	H	α-helix	trans	-69.8	-32.6	177.5	-174.5	171.8	5.2	0	0	111.8	L459 F965 A966 L971 C972	L459-Q968 HydrophobicContact CD1-CB 4.08Å; L459-Q968 HydrophobicContact CD1-CG 4.28Å; F965-Q968 PolarHBondContact O-N 2.96Å; A966-Q968 PolarHBondContact O-N 3.06Å; Q968-L971 PolarHBondContact O-N 3.02Å; Q968-C972 PolarHBondContact O-N 3.14Å
969	S	82.6	Confident	78.2	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-71.3	-33.9	-175.1	71.7	0	0	0	0	114.3	H822 L824 D825 F965 A966 L967 L971 C972	H822-S969 WeakPolarHBondContact ND1-CB 3.45Å; L824-S969 PolarHBondContact O-OG 3.46Å; D825-S969 WeakPolarHBondContact CA-OG 3.35Å; D825-S969 PolarHBondContact N-OG 3.06Å; F965-S969 WeakPolarHBondContact O-CB 3.27Å; F965-S969 PolarHBondContact O-N 3.39Å; A966-S969 PolarHBondContact O-N 2.94Å; A966-S969 PolarHBondContact O-OG 3.39Å; L967-S969 VanDerWaalsContact C-N 3.32Å; S969-L971 PolarHBondContact O-N 3.15Å; S969-C972 PolarHBondContact O-N 3.32Å; S969-C972 PolarHBondContact O-SG 3.1Å
970	H	85.2	Confident	79.9	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.4	174.6	-171.1	66	0	0	0	113.4	F531 H582 S583 D825 A966 Y973	F531-H970 HydrophobicContact CE2-CB 4.18Å; F531-H970 AromaticContact CE2-CD2 3.84Å; F531-H970 HydrophobicContact CZ-CB 4.4Å; H582-H970 AromaticContact CE1-NE2 3.76Å; H582-H970 AromaticContact NE2-NE2 3.83Å; H582-H970 PolarHBondContact NE2-O 2.82Å; S583-H970 WeakPolarHBondContact CB-NE2 3.43Å; S583-H970 PolarHBondContact OG-CE1 2.82Å; S583-H970 VanDerWaalsContact OG-CE1 3.26Å; S583-H970 PolarHBondContact OG-NE2 2.81Å; D825-H970 VanDerWaalsContact CG-ND1 3.27Å; D825-H970 IonicContact OD1-CE1 2.76Å; D825-H970 IonicContact OD1-CG 2.82Å; D825-H970 IonicContact OD1-ND1 2.71Å; D825-H970 PolarHBondContact OD1-ND1 3.43Å; D825-H970 WeakPolarHBondContact OD2-CA 3.24Å; D825-H970 IonicContact OD2-CE1 3.74Å; D825-H970 IonicContact OD2-CG 3.83Å; D825-H970 IonicContact OD2-ND1 2.73Å; D825-H970 PolarHBondContact OD2-ND1 2.85Å; A966-H970 PolarHBondContact O-N 3.34Å; H970-Y973 VanDerWaalsContact O-CD2 3.26Å; H970-Y973 WeakPolarHBondContact O-CD2 3.49Å; H970-Y973 WeakPolarHBondContact O-CE2 3.24Å
971	L	80.3	Confident	81.6	Confident	29 Å²	29	44 Å²	44	15%	0.152	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	1.6	-172.1	-58.6	169.1	0	0	0	112.3	L459 Q968 S969 Y973	L459-L971 HydrophobicContact CD2-CD1 3.49Å; L459-L971 VanDerWaalsContact CD2-CD1 3.49Å; L459-L971 HydrophobicContact CG-CD1 3.69Å; Q968-L971 PolarHBondContact O-N 3.02Å; S969-L971 PolarHBondContact O-N 3.15Å; L971-Y973 VanDerWaalsContact C-N 3.32Å; L971-Y973 PolarHBondContact O-N 3.38Å
972	C	84.9	Confident	82.9	Confident	20 Å²	20	41 Å²	41	14%	0.135	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-9.3	-176.6	77.6	0	0	0	0	114.7	Q968 S969 W974 E975 S976	Q968-C972 PolarHBondContact O-N 3.14Å; S969-C972 PolarHBondContact O-N 3.32Å; S969-C972 PolarHBondContact O-SG 3.1Å; C972-W974 VanDerWaalsContact C-N 3.29Å; C972-W974 PolarHBondContact O-N 3.48Å; C972-E975 PolarHBondContact O-N 3.11Å; C972-S976 WeakPolarHBondContact O-CB 3.34Å; C972-S976 PolarHBondContact O-N 3.18Å
973	Y	89.9	Confident	84.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32	-173.5	-57.4	-75.3	0	0	0	113.5	H582 L789 G790 Y821 H822 D825 L952 H970 L971 S976	H582-Y973 AromaticContact CD2-CD2 3.71Å; H582-Y973 AromaticContact NE2-CD2 3.83Å; L789-Y973 HydrophobicContact CB-CD1 4.39Å; L789-Y973 HydrophobicContact CB-CG 4.23Å; G790-Y973 WeakPolarHBondContact CA-OH 3.26Å; Y821-Y973 WeakPolarHBondContact CA-OH 3.12Å; H822-Y973 PolarHBondContact N-OH 3.01Å; D825-Y973 WeakPolarHBondContact OD2-CE2 3.26Å; D825-Y973 PolarHBondContact OD2-OH 3.43Å; L952-Y973 HydrophobicContact CD1-CD1 3.84Å; L952-Y973 HydrophobicContact CD1-CE1 3.72Å; H970-Y973 VanDerWaalsContact O-CD2 3.26Å; H970-Y973 WeakPolarHBondContact O-CD2 3.49Å; H970-Y973 WeakPolarHBondContact O-CE2 3.24Å; L971-Y973 VanDerWaalsContact C-N 3.32Å; L971-Y973 PolarHBondContact O-N 3.38Å; Y973-S976 PolarHBondContact O-N 3.03Å
974	W	88.5	Confident	85.6	Confident	6 Å²	6	25.5 Å²	25.5	2%	0.023	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-37.7	-177.6	-52.4	125	0	0	0	113.6	V449 C457 I464 C467 V468 F471 H582 C972	V449-W974 HydrophobicContact CG1-CH2 3.68Å; V449-W974 HydrophobicContact CG1-CZ3 3.69Å; C457-W974 PolarHBondContact O-NE1 3.28Å; I464-W974 HydrophobicContact CD1-CH2 3.71Å; I464-W974 HydrophobicContact CD1-CZ2 3.77Å; I464-W974 HydrophobicContact CD1-CZ3 4.39Å; C467-W974 HydrophobicContact CB-CB 4.3Å; C467-W974 HydrophobicContact CB-CD2 3.9Å; C467-W974 HydrophobicContact CB-CG 3.78Å; V468-W974 HydrophobicContact CG2-CZ3 4.37Å; F471-W974 WeakPolarHBondContact CD2-O 3.48Å; H582-W974 HydrophobicContact CB-CH2 3.58Å; H582-W974 HydrophobicContact CB-CZ2 3.53Å; H582-W974 AromaticContact CG-CZ2 3.53Å; H582-W974 AromaticContact ND1-CZ2 3.75Å; C972-W974 VanDerWaalsContact C-N 3.29Å; C972-W974 PolarHBondContact O-N 3.48Å
975	E	87	Confident	87.1	Confident	112 Å²	112	22.2 Å²	22.2	52%	0.523	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	0.1	179.6	-61	179.5	170.8	0	0	112.5	R462 C972 E977	R462-E975 IonicContact NH2-OE1 2.85Å; C972-E975 PolarHBondContact O-N 3.11Å; E975-E977 PolarHBondContact O-N 3.41Å
976	S	90.8	Very high	88.3	Confident	15 Å²	15	21.3 Å²	21.3	11%	0.105	11%	0.109	C	C	.	.			trans	-82.9	100.8	-170.1	177.8	0	0	0	0	112.7	C972 Y973 D978 T979 A980	C972-S976 WeakPolarHBondContact O-CB 3.34Å; C972-S976 PolarHBondContact O-N 3.18Å; Y973-S976 PolarHBondContact O-N 3.03Å; S976-D978 PolarHBondContact O-N 2.77Å; S976-D978 VanDerWaalsContact O-N 3.16Å; S976-T979 WeakPolarHBondContact CB-OG1 3.22Å; S976-T979 PolarHBondContact O-N 2.79Å; S976-T979 WeakPolarHBondContact OG-CB 3.3Å; S976-T979 PolarHBondContact OG-N 3.29Å; S976-T979 PolarHBondContact OG-OG1 2.86Å; S976-A980 PolarHBondContact O-N 2.74Å
977	E	92.9	Very high	89.4	Confident	49 Å²	49	20.3 Å²	20.3	23%	0.229	10%	0.1	C	C	.	.	H	α-helix	trans	-52.7	-32.4	169.1	-65.6	179.5	124.8	0	0	112.3	V474 K477 L478 H849 E975 L981	V474-E977 HydrophobicContact CG1-CB 4.42Å; V474-E977 HydrophobicContact CG1-CG 4Å; K477-E977 IonicContact NZ-OE1 2.79Å; K477-E977 PolarHBondContact NZ-OE1 2.69Å; L478-E977 WeakPolarHBondContact CD1-O 3.47Å; H849-E977 HydrophobicContact CB-CB 4.36Å; H849-E977 IonicContact CE1-OE2 2.7Å; H849-E977 PolarHBondContact CE1-OE2 2.81Å; H849-E977 IonicContact ND1-OE2 3.21Å; H849-E977 IonicContact NE2-OE2 2.72Å; H849-E977 PolarHBondContact NE2-OE2 2.88Å; E975-E977 PolarHBondContact O-N 3.41Å; E977-L981 VanDerWaalsContact O-CB 3.22Å; E977-L981 WeakPolarHBondContact O-CB 3.25Å; E977-L981 PolarHBondContact O-N 3.45Å; E977-L981 VanDerWaalsContact O-N 3.08Å
978	D	92.1	Very high	90.6	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-73.3	-35.5	178.5	-60.2	-21.8	0	0	0	111.8	I846 H848 H849 R854 L952 S976 L982	I846-D978 HydrophobicContact CG2-CB 4.28Å; H848-D978 WeakPolarHBondContact CA-OD1 3.21Å; H848-D978 IonicContact CD2-OD1 3.74Å; H848-D978 PolarHBondContact CD2-OD1 3.15Å; H848-D978 VanDerWaalsContact CD2-OD1 3.27Å; H848-D978 IonicContact CD2-OD2 2.69Å; H848-D978 PolarHBondContact CD2-OD2 3.39Å; H848-D978 IonicContact CG-OD1 2.64Å; H849-D978 IonicContact CE1-OD1 3.01Å; H849-D978 IonicContact CG-OD1 2.71Å; H849-D978 PolarHBondContact N-OD1 3.25Å; H849-D978 IonicContact ND1-OD1 3.14Å; H849-D978 PolarHBondContact ND1-OD1 3.5Å; R854-D978 IonicContact CZ-OD2 3.85Å; R854-D978 IonicContact NE-OD2 3.59Å; R854-D978 IonicContact NH2-OD2 3.03Å; R854-D978 PolarHBondContact NH2-OD2 3.45Å; L952-D978 HydrophobicContact CD2-CB 4.03Å; S976-D978 PolarHBondContact O-N 2.77Å; S976-D978 VanDerWaalsContact O-N 3.16Å; D978-L982 PolarHBondContact O-N 3.39Å
979	T	94.8	Very high	91.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-72.6	-50.5	175.6	-56.7	0	0	0	0	111.1	F471 L789 I820 S976 L981 L982 L983	F471-T979 HydrophobicContact CE2-CG2 4.22Å; F471-T979 HydrophobicContact CZ-CG2 4.5Å; L789-T979 HydrophobicContact CD2-CG2 4.14Å; I820-T979 HydrophobicContact CG2-CG2 4.36Å; S976-T979 WeakPolarHBondContact CB-OG1 3.22Å; S976-T979 PolarHBondContact O-N 2.79Å; S976-T979 WeakPolarHBondContact OG-CB 3.3Å; S976-T979 PolarHBondContact OG-N 3.29Å; S976-T979 PolarHBondContact OG-OG1 2.86Å; T979-L981 VanDerWaalsContact C-N 3.31Å; T979-L981 PolarHBondContact O-N 3.32Å; T979-L982 WeakPolarHBondContact O-CB 3.38Å; T979-L982 PolarHBondContact O-N 2.97Å; T979-L982 VanDerWaalsContact O-N 3.08Å; T979-L983 HydrophobicContact CG2-CD1 4.14Å; T979-L983 WeakPolarHBondContact O-CD1 3.34Å; T979-L983 PolarHBondContact O-N 2.79Å; T979-L983 VanDerWaalsContact O-N 3.07Å
980	A	95.6	Very high	91.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.9	-41.9	179.6	0	0	0	0	0	111.5	F471 V474 L478 S976 L982 L983 L984	F471-A980 HydrophobicContact CD2-CB 4.46Å; F471-A980 HydrophobicContact CE1-CB 4.21Å; F471-A980 HydrophobicContact CE2-CB 3.86Å; F471-A980 HydrophobicContact CZ-CB 3.72Å; V474-A980 HydrophobicContact CG1-CB 3.64Å; L478-A980 HydrophobicContact CD1-CB 3.59Å; S976-A980 PolarHBondContact O-N 2.74Å; A980-L982 VanDerWaalsContact C-N 3.3Å; A980-L982 PolarHBondContact O-N 3.28Å; A980-L983 PolarHBondContact O-N 2.62Å; A980-L984 WeakPolarHBondContact O-CG 3.43Å; A980-L984 PolarHBondContact O-N 2.94Å
981	L	94.4	Very high	91.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.7	-31.7	176.5	-173.1	61.7	0	0	0	112.5	L478 H482 F483 H849 E977 T979 K985	L478-L981 HydrophobicContact CD1-CB 3.99Å; L478-L981 HydrophobicContact CD2-CB 4.26Å; L478-L981 HydrophobicContact CD2-CD1 4.44Å; H482-L981 HydrophobicContact CB-CD1 3.86Å; F483-L981 HydrophobicContact CE2-CD1 4.07Å; H849-L981 HydrophobicContact CB-CD2 3.72Å; E977-L981 VanDerWaalsContact O-CB 3.22Å; E977-L981 WeakPolarHBondContact O-CB 3.25Å; E977-L981 PolarHBondContact O-N 3.45Å; E977-L981 VanDerWaalsContact O-N 3.08Å; T979-L981 VanDerWaalsContact C-N 3.31Å; T979-L981 PolarHBondContact O-N 3.32Å; L981-K985 HydrophobicContact CD1-CG 4.43Å; L981-K985 VanDerWaalsContact CD2-NZ 3.29Å; L981-K985 HydrophobicContact CG-CD 4.1Å; L981-K985 HydrophobicContact CG-CG 4.42Å; L981-K985 VanDerWaalsContact O-CB 3.26Å; L981-K985 WeakPolarHBondContact O-CB 3.3Å; L981-K985 WeakPolarHBondContact O-CD 3.49Å; L981-K985 WeakPolarHBondContact O-CG 3.4Å; L981-K985 PolarHBondContact O-N 3.44Å
982	L	94.6	Very high	92.3	Very high	13 Å²	13	31 Å²	31	7%	0.068	15%	0.153	C	C	.	.	H	α-helix	trans	-65.9	-47.9	173	-179.6	60.5	0	0	0	111.1	I820 I846 Y950 D978 T979 A980 L984 K985 E986	I820-L982 HydrophobicContact CD1-CD2 3.71Å; I820-L982 HydrophobicContact CD1-CG 4.44Å; I820-L982 HydrophobicContact CG1-CD2 3.88Å; I846-L982 HydrophobicContact CD1-CD2 3.71Å; I846-L982 HydrophobicContact CG1-CD2 4Å; Y950-L982 HydrophobicContact CD1-CD2 4.17Å; Y950-L982 HydrophobicContact CG-CD2 4.27Å; D978-L982 PolarHBondContact O-N 3.39Å; T979-L982 WeakPolarHBondContact O-CB 3.38Å; T979-L982 PolarHBondContact O-N 2.97Å; T979-L982 VanDerWaalsContact O-N 3.08Å; A980-L982 VanDerWaalsContact C-N 3.3Å; A980-L982 PolarHBondContact O-N 3.28Å; L982-L984 PolarHBondContact O-N 3.45Å; L982-K985 WeakPolarHBondContact O-CB 3.37Å; L982-K985 PolarHBondContact O-N 2.94Å; L982-K985 VanDerWaalsContact O-N 3.15Å; L982-E986 HydrophobicContact CD1-CG 4.12Å; L982-E986 WeakPolarHBondContact O-CG 3.26Å; L982-E986 PolarHBondContact O-N 3.3Å
983	L	96.7	Very high	92.5	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-58.7	-47.7	177.9	-90.5	70.5	0	0	0	111.6	F471 F497 F787 I820 T979 A980 K985 E986 I987	F471-L983 HydrophobicContact CE1-CD2 4.17Å; F471-L983 HydrophobicContact CZ-CD2 3.99Å; F497-L983 HydrophobicContact CE1-CD2 4.28Å; F787-L983 HydrophobicContact CB-CD1 4.42Å; F787-L983 HydrophobicContact CB-CD2 4.37Å; F787-L983 HydrophobicContact CB-CG 4.42Å; F787-L983 HydrophobicContact CD1-CD1 3.8Å; F787-L983 HydrophobicContact CD1-CD2 4.49Å; F787-L983 HydrophobicContact CD1-CG 3.71Å; F787-L983 HydrophobicContact CD2-CD2 3.91Å; F787-L983 HydrophobicContact CD2-CG 3.86Å; F787-L983 HydrophobicContact CE1-CB 4.47Å; F787-L983 HydrophobicContact CE1-CD1 4.19Å; F787-L983 HydrophobicContact CE1-CG 3.8Å; F787-L983 HydrophobicContact CE2-CD2 4.28Å; F787-L983 HydrophobicContact CE2-CG 3.94Å; F787-L983 HydrophobicContact CG-CD1 4.07Å; F787-L983 HydrophobicContact CG-CD2 4.02Å; F787-L983 HydrophobicContact CG-CG 3.73Å; F787-L983 HydrophobicContact CZ-CB 4.35Å; F787-L983 HydrophobicContact CZ-CG 3.91Å; I820-L983 HydrophobicContact CD1-CD1 3.73Å; T979-L983 HydrophobicContact CG2-CD1 4.14Å; T979-L983 WeakPolarHBondContact O-CD1 3.34Å; T979-L983 PolarHBondContact O-N 2.79Å; T979-L983 VanDerWaalsContact O-N 3.07Å; A980-L983 PolarHBondContact O-N 2.62Å; L983-K985 VanDerWaalsContact C-N 3.32Å; L983-K985 PolarHBondContact O-N 3.01Å; L983-E986 PolarHBondContact O-N 3.5Å; L983-I987 WeakPolarHBondContact O-CB 3.36Å; L983-I987 VanDerWaalsContact O-CG1 3.31Å; L983-I987 WeakPolarHBondContact O-CG1 3.29Å; L983-I987 PolarHBondContact O-N 3.09Å
984	L	95.9	Very high	92.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-39.9	175.9	-62.8	172.2	0	0	0	112	L478 L479 F483 V495 A980 L982 E986 Y988	L478-L984 HydrophobicContact CB-CD1 3.82Å; L478-L984 HydrophobicContact CD1-CD1 4.49Å; L479-L984 HydrophobicContact CG-CD1 4.42Å; F483-L984 HydrophobicContact CE2-CB 4.03Å; F483-L984 HydrophobicContact CZ-CB 4.29Å; V495-L984 HydrophobicContact CB-CD2 4.21Å; V495-L984 HydrophobicContact CG2-CD2 3.77Å; A980-L984 WeakPolarHBondContact O-CG 3.43Å; A980-L984 PolarHBondContact O-N 2.94Å; L982-L984 PolarHBondContact O-N 3.45Å; L984-E986 PolarHBondContact O-N 3.43Å; L984-Y988 HydrophobicContact CB-CD2 4.32Å; L984-Y988 HydrophobicContact CB-CE2 4.46Å; L984-Y988 HydrophobicContact CD2-CE2 4.03Å; L984-Y988 WeakPolarHBondContact O-CB 3.5Å; L984-Y988 VanDerWaalsContact O-CD2 3.24Å; L984-Y988 WeakPolarHBondContact O-CD2 3.45Å; L984-Y988 PolarHBondContact O-N 3.48Å
985	K	94.2	Very high	92.1	Very high	43 Å²	43	37.5 Å²	37.5	19%	0.187	20%	0.196	C	C	.	.	H	α-helix	trans	-67	-31.1	177.8	-81.6	170.8	-179.5	159.7	0	114.5	F483 L981 L982 L983 R989 P995	F483-K985 HydrophobicContact CZ-CG 4.38Å; L981-K985 HydrophobicContact CD1-CG 4.43Å; L981-K985 VanDerWaalsContact CD2-NZ 3.29Å; L981-K985 HydrophobicContact CG-CD 4.1Å; L981-K985 HydrophobicContact CG-CG 4.42Å; L981-K985 VanDerWaalsContact O-CB 3.26Å; L981-K985 WeakPolarHBondContact O-CB 3.3Å; L981-K985 WeakPolarHBondContact O-CD 3.49Å; L981-K985 WeakPolarHBondContact O-CG 3.4Å; L981-K985 PolarHBondContact O-N 3.44Å; L982-K985 WeakPolarHBondContact O-CB 3.37Å; L982-K985 PolarHBondContact O-N 2.94Å; L982-K985 VanDerWaalsContact O-N 3.15Å; L983-K985 VanDerWaalsContact C-N 3.32Å; L983-K985 PolarHBondContact O-N 3.01Å; K985-R989 WeakPolarHBondContact O-CB 3.18Å; K985-R989 PolarHBondContact O-NH2 2.99Å; K985-R989 VanDerWaalsContact O-NH2 3.13Å; K985-P995 HydrophobicContact CD-CG 4.27Å; K985-P995 HydrophobicContact CG-CB 4.26Å; K985-P995 HydrophobicContact CG-CG 3.87Å
986	E	94.8	Very high	91.8	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.056	19%	0.187	C	C	.	.	H	α-helix	trans	-83.4	-38.9	177.2	-64.4	-53.4	134.7	0	0	111.2	I785 F787 F818 L982 L983 L984 R989	I785-E986 HydrophobicContact CD1-CB 4.22Å; F787-E986 HydrophobicContact CE1-CB 3.94Å; F787-E986 HydrophobicContact CE1-CG 4.31Å; F787-E986 HydrophobicContact CZ-CB 4.02Å; F818-E986 HydrophobicContact CD1-CG 4.28Å; F818-E986 HydrophobicContact CE1-CG 3.73Å; F818-E986 HydrophobicContact CE2-CB 4.38Å; F818-E986 HydrophobicContact CE2-CG 4.24Å; F818-E986 HydrophobicContact CZ-CB 4.21Å; F818-E986 HydrophobicContact CZ-CG 3.71Å; F818-E986 WeakPolarHBondContact CZ-OE2 3.17Å; L982-E986 HydrophobicContact CD1-CG 4.12Å; L982-E986 WeakPolarHBondContact O-CG 3.26Å; L982-E986 PolarHBondContact O-N 3.3Å; L983-E986 PolarHBondContact O-N 3.5Å; L984-E986 PolarHBondContact O-N 3.43Å; E986-R989 PolarHBondContact O-N 2.86Å; E986-R989 IonicContact OE1-CZ 2.64Å; E986-R989 IonicContact OE1-NH1 3.6Å; E986-R989 PolarHBondContact OE1-NH1 2.89Å; E986-R989 IonicContact OE1-NH2 2.65Å; E986-R989 PolarHBondContact OE1-NH2 3.41Å; E986-R989 IonicContact OE2-CZ 2.62Å; E986-R989 IonicContact OE2-NH1 2.7Å; E986-R989 PolarHBondContact OE2-NH1 3.3Å; E986-R989 IonicContact OE2-NH2 2.72Å
987	I	95.7	Very high	90.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.3	-59	174.5	-71.7	168.3	0	0	0	111	H445 V447 V495 I785 F787 L983 R989 T990 M991	H445-I987 HydrophobicContact CB-CG2 3.6Å; H445-I987 VanDerWaalsContact CG-CG2 3.48Å; V447-I987 HydrophobicContact CG2-CD1 3.76Å; V495-I987 HydrophobicContact CG1-CD1 3.98Å; V495-I987 HydrophobicContact CG2-CD1 4.35Å; V495-I987 HydrophobicContact CG2-CG2 3.94Å; I785-I987 HydrophobicContact CD1-CG1 4.37Å; F787-I987 HydrophobicContact CE2-CD1 4.23Å; F787-I987 HydrophobicContact CE2-CG1 4.19Å; F787-I987 HydrophobicContact CZ-CG1 4.14Å; L983-I987 WeakPolarHBondContact O-CB 3.36Å; L983-I987 VanDerWaalsContact O-CG1 3.31Å; L983-I987 WeakPolarHBondContact O-CG1 3.29Å; L983-I987 PolarHBondContact O-N 3.09Å; I987-R989 PolarHBondContact O-N 3.46Å; I987-T990 PolarHBondContact O-N 3.5Å; I987-T990 PolarHBondContact O-OG1 3.19Å; I987-T990 VanDerWaalsContact O-OG1 3.06Å; I987-M991 HydrophobicContact CG2-CE 4.37Å
988	Y	95.1	Very high	88.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-16.2	-177.3	-72.7	-61.5	0	0	0	113.6	D444 L479 F483 I492 V495 L984 M991 N992 I993	D444-Y988 HydrophobicContact CB-CE1 4.25Å; D444-Y988 PolarHBondContact OD2-OH 2.92Å; L479-Y988 HydrophobicContact CD2-CD2 4.48Å; L479-Y988 HydrophobicContact CD2-CE2 3.57Å; F483-Y988 HydrophobicContact CD1-CD2 4.36Å; F483-Y988 AromaticContact CE1-CD2 3.98Å; F483-Y988 HydrophobicContact CE1-CD2 3.98Å; F483-Y988 HydrophobicContact CE1-CG 4.29Å; F483-Y988 HydrophobicContact CZ-CD2 4.06Å; I492-Y988 HydrophobicContact CB-CD1 4.49Å; I492-Y988 HydrophobicContact CB-CE1 3.78Å; I492-Y988 HydrophobicContact CD1-CE1 4.36Å; I492-Y988 HydrophobicContact CD1-CE2 4.49Å; I492-Y988 HydrophobicContact CG2-CD1 3.68Å; I492-Y988 HydrophobicContact CG2-CE1 3.43Å; I492-Y988 VanDerWaalsContact CG2-CE1 3.43Å; V495-Y988 HydrophobicContact CG2-CE2 3.95Å; L984-Y988 HydrophobicContact CB-CD2 4.32Å; L984-Y988 HydrophobicContact CB-CE2 4.46Å; L984-Y988 HydrophobicContact CD2-CE2 4.03Å; L984-Y988 WeakPolarHBondContact O-CB 3.5Å; L984-Y988 VanDerWaalsContact O-CD2 3.24Å; L984-Y988 WeakPolarHBondContact O-CD2 3.45Å; L984-Y988 PolarHBondContact O-N 3.48Å; Y988-M991 HydrophobicContact CD1-CE 4.45Å; Y988-M991 HydrophobicContact CD1-SD 3.65Å; Y988-M991 HydrophobicContact CE1-CE 4.46Å; Y988-M991 HydrophobicContact CE1-SD 3.92Å; Y988-M991 CarbonylContact O-C 3.59Å; Y988-M991 WeakPolarHBondContact O-CA 3.25Å; Y988-M991 WeakPolarHBondContact O-CB 3.31Å; Y988-M991 PolarHBondContact O-N 3.21Å; Y988-N992 PolarHBondContact O-N 3.23Å; Y988-I993 CarbonylContact C-O 3.55Å; Y988-I993 VanDerWaalsContact C-O 3.28Å; Y988-I993 PolarHBondContact O-N 3.23Å; Y988-I993 VanDerWaalsContact O-O 3.08Å
989	R	92.1	Very high	86.7	Confident	109 Å²	109	51.9 Å²	51.9	41%	0.411	27%	0.265	S	S	.	.	H	α-helix	trans	-68.1	-30.6	170.7	-168.1	-179.8	-56.3	137.7	25.8	112.8	K985 E986 I987 M991 N992	K985-R989 WeakPolarHBondContact O-CB 3.18Å; K985-R989 PolarHBondContact O-NH2 2.99Å; K985-R989 VanDerWaalsContact O-NH2 3.13Å; E986-R989 PolarHBondContact O-N 2.86Å; E986-R989 IonicContact OE1-CZ 2.64Å; E986-R989 IonicContact OE1-NH1 3.6Å; E986-R989 PolarHBondContact OE1-NH1 2.89Å; E986-R989 IonicContact OE1-NH2 2.65Å; E986-R989 PolarHBondContact OE1-NH2 3.41Å; E986-R989 IonicContact OE2-CZ 2.62Å; E986-R989 IonicContact OE2-NH1 2.7Å; E986-R989 PolarHBondContact OE2-NH1 3.3Å; E986-R989 IonicContact OE2-NH2 2.72Å; I987-R989 PolarHBondContact O-N 3.46Å; R989-M991 PolarHBondContact O-N 3.22Å; R989-N992 PolarHBondContact O-N 3.14Å
990	T	89.6	Confident	84.1	Confident	61 Å²	61	61.1 Å²	61.1	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-32	173	76.3	0	0	0	0	110.7	E784 I785 I987 N992	E784-T990 WeakPolarHBondContact OE2-CB 3.42Å; E784-T990 WeakPolarHBondContact OE2-CG2 3.34Å; E784-T990 PolarHBondContact OE2-OG1 2.9Å; E784-T990 VanDerWaalsContact OE2-OG1 3.05Å; I785-T990 HydrophobicContact CD1-CG2 4.09Å; I987-T990 PolarHBondContact O-N 3.5Å; I987-T990 PolarHBondContact O-OG1 3.19Å; I987-T990 VanDerWaalsContact O-OG1 3.06Å; T990-N992 VanDerWaalsContact C-N 3.27Å; T990-N992 PolarHBondContact O-N 3.43Å; T990-N992 PolarHBondContact O-ND2 3.14Å
991	M	89.4	Confident	83.6	Confident	57 Å²	57	64.2 Å²	64.2	28%	0.281	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.6	172.7	-51.7	-179.6	-168.7	0	0	114.2	D444 H445 I987 Y988 R989 I993	D444-M991 HydrophobicContact CB-CE 3.84Å; D444-M991 HydrophobicContact CB-SD 4.15Å; D444-M991 WeakPolarHBondContact O-CE 3.21Å; H445-M991 HydrophobicContact CB-CE 3.87Å; I987-M991 HydrophobicContact CG2-CE 4.37Å; Y988-M991 HydrophobicContact CD1-CE 4.45Å; Y988-M991 HydrophobicContact CD1-SD 3.65Å; Y988-M991 HydrophobicContact CE1-CE 4.46Å; Y988-M991 HydrophobicContact CE1-SD 3.92Å; Y988-M991 CarbonylContact O-C 3.59Å; Y988-M991 WeakPolarHBondContact O-CA 3.25Å; Y988-M991 WeakPolarHBondContact O-CB 3.31Å; Y988-M991 PolarHBondContact O-N 3.21Å; R989-M991 PolarHBondContact O-N 3.22Å; M991-I993 VanDerWaalsContact C-N 3.25Å; M991-I993 HydrophobicContact CB-CD1 4.45Å; M991-I993 HydrophobicContact CB-CG1 4.46Å; M991-I993 PolarHBondContact O-N 2.86Å
992	N	89.8	Confident	83	Confident	149 Å²	149	67.6 Å²	67.6	80%	0.797	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	24.2	-174.8	-55.1	-95.6	0	0	0	114.6	Y988 R989 T990	Y988-N992 PolarHBondContact O-N 3.23Å; R989-N992 PolarHBondContact O-N 3.14Å; T990-N992 VanDerWaalsContact C-N 3.27Å; T990-N992 PolarHBondContact O-N 3.43Å; T990-N992 PolarHBondContact O-ND2 3.14Å
993	I	89.8	Confident	82.3	Confident	28 Å²	28	70.6 Å²	70.6	14%	0.144	36%	0.355	C	S	.	.			trans	-102.9	134	178	-65.1	177.4	0	0	0	109.1	F483 K491 I492 Y988 M991	F483-I993 HydrophobicContact CD1-CG2 4.15Å; F483-I993 HydrophobicContact CE1-CG2 4.5Å; K491-I993 HydrophobicContact CB-CD1 4.24Å; I492-I993 HydrophobicContact CG2-CD1 3.43Å; I492-I993 VanDerWaalsContact CG2-CD1 3.43Å; Y988-I993 CarbonylContact C-O 3.55Å; Y988-I993 VanDerWaalsContact C-O 3.28Å; Y988-I993 PolarHBondContact O-N 3.23Å; Y988-I993 VanDerWaalsContact O-O 3.08Å; M991-I993 VanDerWaalsContact C-N 3.25Å; M991-I993 HydrophobicContact CB-CD1 4.45Å; M991-I993 HydrophobicContact CB-CG1 4.46Å; M991-I993 PolarHBondContact O-N 2.86Å
994	S	85.2	Confident	81.5	Confident	86 Å²	86	74.6 Å²	74.6	60%	0.601	38%	0.376	S	S	*	.			trans	-114.8	147.4	-177	-68	0	0	0	0	111.1
995	P	84.6	Confident	80.6	Confident	47 Å²	47	79.3 Å²	79.3	31%	0.305	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-66	146.6	174.1	32.8	-40.2	0	0	0	111.1	H482 F483 K985	H482-P995 CarbonylContact O-C 3.59Å; H482-P995 WeakPolarHBondContact O-CA 3.32Å; F483-P995 HydrophobicContact CE1-CB 4.07Å; F483-P995 HydrophobicContact CE2-CB 4.37Å; F483-P995 HydrophobicContact CZ-CB 3.91Å; K985-P995 HydrophobicContact CD-CG 4.27Å; K985-P995 HydrophobicContact CG-CB 4.26Å; K985-P995 HydrophobicContact CG-CG 3.87Å
996	E	80.8	Confident	79.7	Confident	70 Å²	70	81.7 Å²	81.7	33%	0.327	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-77.7	142.5	166.8	-66.3	171.3	-96	0	0	110	H482 K484 K485	H482-E996 PolarHBondContact O-N 3Å; K484-E996 PolarHBondContact N-OE1 3.08Å; K485-E996 VanDerWaalsContact CB-OE1 3.24Å; K485-E996 WeakPolarHBondContact CB-OE1 3.46Å; K485-E996 WeakPolarHBondContact CB-OE2 3.32Å; K485-E996 PolarHBondContact N-OE1 3.1Å
997	Q	64.7	Low	78.6	Confident	176 Å²	176	86.7 Å²	86.7	82%	0.822	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-67.7	129.4	164.6	-93.4	-176.2	-23.4	0	0	108.4	Q999	Q997-Q999 PolarHBondContact O-N 2.64Å
998	P	57.8	Low	77.3	Confident	42 Å²	42	93.4 Å²	93.4	27%	0.273	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-62.2	128.1	178	26.9	-34.1	0	0	0	109.4	H1000	P998-H1000 PolarHBondContact O-N 3.44Å
999	Q	46	Very low	75.8	Confident	194 Å²	194	101.2 Å²	101.2	91%	0.907	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-70	128.2	172.2	-62	-175.8	14.4	0	0	108.4	Q997	Q997-Q999 PolarHBondContact O-N 2.64Å
1000	H	40	Very low	74.3	Confident	195 Å²	195	100.5 Å²	100.5	90%	0.903	52%	0.521	S	S	*	.			trans	-88.9	0	-178.3	-90.5	-71.8	0	0	0	112.2	R852 P998	R852-H1000 PolarHBondContact NE-NE2 2.76Å; R852-H1000 PolarHBondContact NH2-CD2 2.67Å; R852-H1000 PolarHBondContact NH2-CE1 3.39Å; R852-H1000 PolarHBondContact NH2-NE2 2.62Å; P998-H1000 PolarHBondContact O-N 3.44Å

Retrieved 1,000 of 1,000 residues in 286 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).